ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr11-2024 11:32:17 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.02 0.41 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 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr11-2024 11:32:17 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 0.81 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 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 0 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 Apr11-2024 11:32:18 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr11-2024 11:32:19 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.04 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 0 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 Apr11-2024 11:32:18 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr11-2024 11:32:19 Nodes: 1 Procs: 1 Apr11-2024 11:32:19 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr11-2024 11:32:20 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 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 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 0 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 Apr11-2024 11:32:18 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr11-2024 11:32:19 Nodes: 1 Procs: 1 Apr11-2024 11:32:19 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr11-2024 11:32:20 Nodes: 1 Procs: 1 Apr11-2024 11:32:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr11-2024 11:32:21 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.03 1.41 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 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 0 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 Apr11-2024 11:32:18 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr11-2024 11:32:19 Nodes: 1 Procs: 1 Apr11-2024 11:32:19 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr11-2024 11:32:20 Nodes: 1 Procs: 1 Apr11-2024 11:32:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr11-2024 11:32:21 Nodes: 1 Procs: 1 Apr11-2024 11:32:22 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr11-2024 11:32:23 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2413.490361000002 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3.757710 0.202492 -3.758576 3.727468 -0.190327 -3.859581 -3.655906 0.247085 -3.850846 0.291434 -3.644773 -3.749079 -0.184354 3.794425 3.746189 0.165168 3.762675 1.099416 -1.948152 -2.421667 -0.570287 -3.372849 -1.297495 1 3 -3 0.071390 -2.542081 2.549831 Rho 0.4361414E+07 3,-3 2 3 -3 0.074608 2.487762 -2.507764 Rho 0.4361414E+07 3,-3 3 3 -3 2.428769 -2.595020 -0.011165 Rho 0.4361415E+07 3,-3 4 3 -3 2.543744 2.542345 -0.071542 Rho 0.4361414E+07 3,-3 5 3 -3 -2.571454 2.483087 0.078193 Rho 0.4361414E+07 3,-3 6 3 -3 -2.598201 -2.517113 -0.096938 Rho 0.4361415E+07 3,-3 7 3 -3 -2.504760 -0.255791 -2.671251 Rho 0.4361415E+07 3,-3 8 3 -3 -2.540362 0.119056 2.587264 Rho 0.4361414E+07 3,-3 9 3 -3 -0.092842 -0.037300 -0.027943 Rho 0.2439526E+04 3,-3 10 3 -3 -0.099135 2.562047 2.566400 Rho 0.1240649E+06 3,-3 11 3 -3 2.562158 -0.138634 2.544140 Rho 0.1240650E+06 3,-3 12 3 -3 2.604559 0.081563 -2.577646 Rho 0.1240649E+06 3,-3 13 3 -3 0.821241 -0.950601 0.855676 Rho 0.3187826E+03 3,-3 14 3 -3 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3,-3 31 3 -3 3.387250 1.486851 -1.452582 Rho 0.3190162E+03 3,-3 32 3 -3 -3.400972 1.527093 1.574352 Rho 0.3189508E+03 3,-3 33 3 -3 1.449637 -1.475631 3.414221 Rho 0.3190083E+03 3,-3 34 3 -3 1.510298 1.454038 -3.379996 Rho 0.3190203E+03 3,-3 35 3 -3 -1.499388 1.505326 3.445259 Rho 0.3190106E+03 3,-3 36 3 -3 -1.756272 -1.453290 -3.705299 Rho 0.3193071E+03 3,-3 37 3 -3 -1.546047 -3.601194 -1.284770 Rho 0.3187312E+03 3,-3 38 3 -3 -1.481598 3.371540 1.526761 Rho 0.3190482E+03 3,-3 39 3 -3 1.470971 -3.381284 1.523666 Rho 0.3189418E+03 3,-3 40 3 -3 1.510614 3.347561 -1.507741 Rho 0.3189563E+03 3,-3 41 3 -3 -0.207216 -3.741942 3.771722 Rho 0.3193378E+03 3,-3 42 3 -3 3.866511 -0.113472 -3.738319 Rho 0.3194673E+03 3,-3 43 3 -3 -0.197344 3.691603 -3.727363 Rho 0.3193409E+03 3,-3 44 3 -3 0.217248 3.756490 3.772034 Rho 0.3194679E+03 3,-3 45 3 -3 3.685040 -3.785024 -0.215784 Rho 0.3193029E+03 3,-3 46 3 -3 3.750216 3.757710 0.202492 Rho 0.3193401E+03 3,-3 47 3 -3 -3.758576 3.727468 -0.190327 Rho 0.3193113E+03 3,-3 48 3 -3 -3.859581 -3.655906 0.247085 Rho 0.3193415E+03 3,-3 49 3 -3 -3.850846 0.291434 -3.644773 Rho 0.3192754E+03 3,-3 50 3 -3 -3.749079 -0.184354 3.794425 Rho 0.3193379E+03 3,-3 51 3 -3 3.746189 0.165168 3.762675 Rho 0.3194686E+03 3,-3 52 3 -3 1.099416 -1.948152 -2.421667 Rho 0.4256728E+00 3,-3 53 3 -3 -0.570287 -3.372849 -1.297495 Rho 0.4334604E+00 3,-3 54 3 +1 -0.574894 -0.561593 1.700543 Rho 0.8556113E-02 |GRAD(Rho)| 0.1478068E-16 GRAD(Rho)x 0.1203720E-16 GRAD(Rho)y -0.8188301E-17 GRAD(Rho)z -0.2554579E-17 Laplacian 0.3560005E-01 (-1/4)Del**2(Rho)) -0.8900012E-02 Diamond 0.9762365E-03 Metallicity 0.6928249E+00 Ellipticity -0.1407012E+01 Gb(Abramov) 0.6961033E-02 Vb(Abramov) -0.5022054E-02 Hb(Abramov) 0.1938979E-02 Ex_ueg -0.1292470E-02 Ec_ueg -0.3030169E-03 Delta_ex -0.1637924E-02 Delta_ec 0.5253739E-03 Delta_et -0.3566313E-02 Pxc 0.4265339E+01 Qxc -0.3117634E+01 3,+1 55 3 +1 -2.910988 -0.213861 -0.201751 Rho 0.5298805E-02 |GRAD(Rho)| 0.1349774E-16 GRAD(Rho)x -0.5373696E-18 GRAD(Rho)y -0.1222108E-16 GRAD(Rho)z 0.5704860E-17 Laplacian 0.2187980E-01 (-1/4)Del**2(Rho)) -0.5469951E-02 Diamond 0.4490938E-03 Metallicity 0.5072238E+00 Ellipticity -0.1654697E+01 Gb(Abramov) 0.4109049E-02 Vb(Abramov) -0.2748147E-02 Hb(Abramov) 0.1360902E-02 Ex_ueg -0.6822690E-03 Ec_ueg -0.1597942E-03 Delta_ex -0.1012006E-02 Delta_ec 0.5316110E-03 Delta_et -0.3001019E-02 Pxc 0.4269674E+01 Qxc -0.1903658E+01 3,+1 56 3 +1 -1.061172 1.324195 2.145800 Rho 0.2365793E-01 |GRAD(Rho)| 0.1626702E-14 GRAD(Rho)x -0.1359374E-14 GRAD(Rho)y -0.8441015E-15 GRAD(Rho)z 0.2928414E-15 Laplacian 0.9250989E-01 (-1/4)Del**2(Rho)) -0.2312747E-01 Diamond 0.1107309E-01 Metallicity 0.1452288E+01 Ellipticity -0.3191738E+01 Gb(Abramov) 0.2101628E-01 Vb(Abramov) -0.1890508E-01 Hb(Abramov) 0.2111198E-02 Ex_ueg -0.5015960E-02 Ec_ueg -0.1021383E-02 Delta_ex -0.5653069E-02 Delta_ec 0.1540319E-02 Delta_et -0.1342159E-01 Pxc 0.4910948E+01 Qxc -0.3670063E+01 3,+1 57 3 +3 -1.144816 -1.106989 1.157470 Rho 0.5177313E-02 |GRAD(Rho)| 0.9106153E-17 GRAD(Rho)x 0.2804248E-17 GRAD(Rho)y -0.2965992E-17 GRAD(Rho)z -0.8140093E-17 Laplacian 0.2142200E-01 (-1/4)Del**2(Rho)) -0.5355500E-02 Diamond 0.1654722E-03 Metallicity 0.4984182E+00 Ellipticity -0.1890501E+00 Gb(Abramov) 0.4015213E-02 Vb(Abramov) -0.2674926E-02 Hb(Abramov) 0.1340287E-02 Ex_ueg -0.6614915E-03 Ec_ueg -0.1545513E-03 Delta_ex -0.7549047E-03 Delta_ec 0.1079096E-03 Delta_et -0.8203856E-03 Pxc 0.4280078E+01 Qxc -0.6995715E+01 3,+3 58 3 -1 -3.026911 -1.991006 -0.853204 Rho 0.1551545E+00 |GRAD(Rho)| 0.2638389E-15 GRAD(Rho)x 0.1281662E-15 GRAD(Rho)y 0.3997996E-17 GRAD(Rho)z 0.2305827E-15 Laplacian 0.6157426E+00 (-1/4)Del**2(Rho)) -0.1539357E+00 Diamond 0.1303546E+01 Metallicity 0.5013655E+01 Ellipticity 0.6158310E-01 Gb(Abramov) 0.2312538E+00 Vb(Abramov) -0.3085720E+00 Hb(Abramov) -0.7731815E-01 Ex_ueg -0.6157496E-01 Ec_ueg -0.8774286E-02 Delta_ex -0.6671640E-01 Delta_ec 0.1556076E-01 Delta_et -0.2082673E+00 Pxc 0.7017660E+01 Qxc -0.4287476E+01 3,-1 59 3 -1 -3.232699 0.039803 -3.196826 Rho 0.2366669E+00 |GRAD(Rho)| 0.9221088E-15 GRAD(Rho)x 0.8184642E-15 GRAD(Rho)y -0.2241588E-15 GRAD(Rho)z 0.3607683E-15 Laplacian 0.8709213E+00 (-1/4)Del**2(Rho)) -0.2177303E+00 Diamond 0.3024563E+01 Metallicity 0.7164681E+01 Ellipticity 0.2164105E-01 Gb(Abramov) 0.4051483E+00 Vb(Abramov) -0.5925662E+00 Hb(Abramov) -0.1874179E+00 Ex_ueg -0.1081189E+00 Ec_ueg -0.1420901E-01 Delta_ex -0.1048187E+00 Delta_ec 0.1927815E-01 Delta_et -0.2667244E+00 Pxc 0.7609181E+01 Qxc -0.5437178E+01 3,-1 60 3 -1 -3.194224 -0.044494 3.240174 Rho 0.2454920E+00 |GRAD(Rho)| 0.7546188E-15 GRAD(Rho)x 0.4205620E-15 GRAD(Rho)y 0.3380000E-15 GRAD(Rho)z -0.5275728E-15 Laplacian 0.8952250E+00 (-1/4)Del**2(Rho)) -0.2238063E+00 Diamond 0.3246761E+01 Metallicity 0.7408722E+01 Ellipticity 0.7863450E-03 Gb(Abramov) 0.4255572E+00 Vb(Abramov) -0.6273082E+00 Hb(Abramov) -0.2017510E+00 Ex_ueg -0.1135276E+00 Ec_ueg -0.1481959E-01 Delta_ex -0.1087681E+00 Delta_ec 0.1958052E-01 Delta_et -0.2711289E+00 Pxc 0.7660647E+01 Qxc -0.5554913E+01 3,-1 61 3 +3 -1.154687 1.103274 -1.123547 Rho 0.5244243E-02 |GRAD(Rho)| 0.6375162E-17 GRAD(Rho)x -0.1152517E-17 GRAD(Rho)y 0.4576083E-17 GRAD(Rho)z -0.4286475E-17 Laplacian 0.2164974E-01 (-1/4)Del**2(Rho)) -0.5412436E-02 Diamond 0.1682135E-03 Metallicity 0.5038467E+00 Ellipticity -0.2563612E+00 Gb(Abramov) 0.4062797E-02 Vb(Abramov) -0.2713158E-02 Hb(Abramov) 0.1349639E-02 Ex_ueg -0.6729180E-03 Ec_ueg -0.1574387E-03 Delta_ex -0.7639066E-03 Delta_ec 0.1059691E-03 Delta_et -0.8152899E-03 Pxc 0.4274159E+01 Qxc -0.7208768E+01 3,+3 62 3 -1 -1.720067 1.650412 0.491456 Rho 0.4293984E-01 |GRAD(Rho)| 0.2267798E-16 GRAD(Rho)x 0.4736608E-17 GRAD(Rho)y -0.8047237E-17 GRAD(Rho)z 0.2066633E-16 Laplacian 0.1682481E+00 (-1/4)Del**2(Rho)) -0.4206202E-01 Diamond 0.6847247E-01 Metallicity 0.2156571E+01 Ellipticity 0.1738487E-01 Gb(Abramov) 0.4315963E-01 Vb(Abramov) -0.4425725E-01 Hb(Abramov) -0.1097613E-02 Ex_ueg -0.1110535E-01 Ec_ueg -0.2028501E-02 Delta_ex -0.1328489E-01 Delta_ec 0.4936321E-02 Delta_et -0.4998756E-01 Pxc 0.5474658E+01 Qxc -0.2691253E+01 3,-1 63 3 +3 -1.834767 1.845654 1.883887 Rho 0.1216861E-01 |GRAD(Rho)| 0.9455178E-17 GRAD(Rho)x -0.1287160E-17 GRAD(Rho)y 0.3876648E-17 GRAD(Rho)z -0.8527321E-17 Laplacian 0.5553784E-01 (-1/4)Del**2(Rho)) -0.1388446E-01 Diamond 0.1213730E-02 Metallicity 0.7987773E+00 Ellipticity -0.6617762E+00 Gb(Abramov) 0.1110474E-01 Vb(Abramov) -0.8325018E-02 Hb(Abramov) 0.2779722E-02 Ex_ueg -0.2067155E-02 Ec_ueg -0.4673582E-03 Delta_ex -0.2440841E-02 Delta_ec 0.1867565E-03 Delta_et -0.1812531E-02 Pxc 0.4423063E+01 Qxc -0.1306965E+02 3,+3 64 3 +1 -2.001391 2.014982 2.053415 Rho 0.1248208E-01 |GRAD(Rho)| 0.7623795E-16 GRAD(Rho)x 0.5088700E-16 GRAD(Rho)y -0.4594927E-16 GRAD(Rho)z -0.3333771E-16 Laplacian 0.5880472E-01 (-1/4)Del**2(Rho)) -0.1470118E-01 Diamond 0.2066622E-02 Metallicity 0.7870687E+00 Ellipticity -0.1165933E+01 Gb(Abramov) 0.1172926E-01 Vb(Abramov) -0.8757340E-02 Hb(Abramov) 0.2971921E-02 Ex_ueg -0.2138460E-02 Ec_ueg -0.4818690E-03 Delta_ex -0.2805444E-02 Delta_ec 0.5574243E-03 Delta_et -0.4374939E-02 Pxc 0.4437844E+01 Qxc -0.5032870E+01 3,+1 65 3 +3 -0.022463 2.316707 0.067685 Rho 0.4408487E-02 |GRAD(Rho)| 0.8999602E-15 GRAD(Rho)x 0.5102004E-15 GRAD(Rho)y -0.6662650E-15 GRAD(Rho)z -0.3251381E-15 Laplacian 0.1832863E-01 (-1/4)Del**2(Rho)) -0.4582156E-02 Diamond 0.1495217E-03 Metallicity 0.4456212E+00 Ellipticity -0.3589248E+00 Gb(Abramov) 0.3395089E-02 Vb(Abramov) -0.2208021E-02 Hb(Abramov) 0.1187068E-02 Ex_ueg -0.5338728E-03 Ec_ueg -0.1215471E-03 Delta_ex -0.6574671E-03 Delta_ec 0.1626667E-03 Delta_et -0.1020172E-02 Pxc 0.4392313E+01 Qxc -0.4041805E+01 3,+3 66 3 -1 -1.807306 2.763252 -0.563152 Rho 0.1356349E+00 |GRAD(Rho)| 0.3224164E-09 GRAD(Rho)x 0.2378525E-09 GRAD(Rho)y 0.8699638E-10 GRAD(Rho)z -0.1995248E-09 Laplacian 0.5644954E+00 (-1/4)Del**2(Rho)) -0.1411238E+00 Diamond 0.1020959E+01 Metallicity 0.4370910E+01 Ellipticity 0.1037174E-01 Gb(Abramov) 0.1968892E+00 Vb(Abramov) -0.2526545E+00 Hb(Abramov) -0.5576531E-01 Ex_ueg -0.5146914E-01 Ec_ueg -0.7530382E-02 Delta_ex -0.5923283E-01 Delta_ec 0.1482864E-01 Delta_et -0.1947837E+00 Pxc 0.6834865E+01 Qxc -0.3994488E+01 3,-1 67 3 +3 0.014749 -0.026159 2.337166 Rho 0.4319001E-02 |GRAD(Rho)| 0.2601318E-13 GRAD(Rho)x 0.2235050E-13 GRAD(Rho)y 0.5174126E-14 GRAD(Rho)z 0.1226251E-13 Laplacian 0.1786733E-01 (-1/4)Del**2(Rho)) -0.4466834E-02 Diamond 0.1468931E-03 Metallicity 0.4417659E+00 Ellipticity -0.3080029E+00 Gb(Abramov) 0.3306772E-02 Vb(Abramov) -0.2146709E-02 Hb(Abramov) 0.1160062E-02 Ex_ueg -0.5194727E-03 Ec_ueg -0.1177254E-03 Delta_ex -0.6433627E-03 Delta_ec 0.1689208E-03 Delta_et -0.1039188E-02 Pxc 0.4412581E+01 Qxc -0.3808664E+01 3,+3 68 3 -1 -2.993581 1.966324 0.874088 Rho 0.1367768E+00 |GRAD(Rho)| 0.1004795E-15 GRAD(Rho)x 0.8287370E-16 GRAD(Rho)y 0.2428613E-16 GRAD(Rho)z -0.5136408E-16 Laplacian 0.5378415E+00 (-1/4)Del**2(Rho)) -0.1344604E+00 Diamond 0.9843344E+00 Metallicity 0.4652069E+01 Ellipticity 0.2711601E-01 Gb(Abramov) 0.1938934E+00 Vb(Abramov) -0.2533265E+00 Hb(Abramov) -0.5943305E-01 Ex_ueg -0.5204771E-01 Ec_ueg -0.7602489E-02 Delta_ex -0.5657024E-01 Delta_ec 0.1413488E-01 Delta_et -0.1859852E+00 Pxc 0.6846140E+01 Qxc -0.4002172E+01 3,-1 69 3 -1 -1.982860 2.935873 0.843616 Rho 0.1182897E+00 |GRAD(Rho)| 0.1707121E-15 GRAD(Rho)x 0.1040292E-15 GRAD(Rho)y 0.2521448E-16 GRAD(Rho)z 0.1329842E-15 Laplacian 0.4728025E+00 (-1/4)Del**2(Rho)) -0.1182006E+00 Diamond 0.7215470E+00 Metallicity 0.4154434E+01 Ellipticity 0.1230428E-01 Gb(Abramov) 0.1606432E+00 Vb(Abramov) -0.2030858E+00 Hb(Abramov) -0.4244257E-01 Ex_ueg -0.4288589E-01 Ec_ueg -0.6445721E-02 Delta_ex -0.4795729E-01 Delta_ec 0.1273244E-01 Delta_et -0.1632916E+00 Pxc 0.6653389E+01 Qxc -0.3766544E+01 3,-1 70 3 +1 0.493582 1.703570 0.552479 Rho 0.7649870E-02 |GRAD(Rho)| 0.4370285E-16 GRAD(Rho)x -0.1608303E-16 GRAD(Rho)y -0.3826149E-16 GRAD(Rho)z -0.1368697E-16 Laplacian 0.3152310E-01 (-1/4)Del**2(Rho)) -0.7880775E-02 Diamond 0.7708519E-03 Metallicity 0.6492437E+00 Ellipticity -0.1414551E+01 Gb(Abramov) 0.6106607E-02 Vb(Abramov) -0.4332439E-02 Hb(Abramov) 0.1774168E-02 Ex_ueg -0.1113244E-02 Ec_ueg -0.2626713E-03 Delta_ex -0.1425429E-02 Delta_ec 0.4920773E-03 Delta_et -0.3222503E-02 Pxc 0.4238165E+01 Qxc -0.2896759E+01 3,+1 71 3 +1 -1.760222 1.739456 -1.731232 Rho 0.1177063E-01 |GRAD(Rho)| 0.8350495E-16 GRAD(Rho)x -0.4925031E-16 GRAD(Rho)y -0.6580761E-16 GRAD(Rho)z -0.1472552E-16 Laplacian 0.5745255E-01 (-1/4)Del**2(Rho)) -0.1436314E-01 Diamond 0.2256301E-02 Metallicity 0.7305279E+00 Ellipticity -0.1288351E+01 Gb(Abramov) 0.1132420E-01 Vb(Abramov) -0.8285271E-02 Hb(Abramov) 0.3038934E-02 Ex_ueg -0.1977507E-02 Ec_ueg -0.4489910E-03 Delta_ex -0.2813954E-02 Delta_ec 0.7532982E-03 Delta_et -0.5615985E-02 Pxc 0.4404337E+01 Qxc -0.3735512E+01 3,+1 72 3 +1 -1.733049 0.533318 -0.508631 Rho 0.9824760E-02 |GRAD(Rho)| 0.1194757E-16 GRAD(Rho)x 0.8537553E-17 GRAD(Rho)y -0.8320484E-17 GRAD(Rho)z 0.7901109E-18 Laplacian 0.4136092E-01 (-1/4)Del**2(Rho)) -0.1034023E-01 Diamond 0.1411224E-02 Metallicity 0.7508609E+00 Ellipticity -0.1485062E+01 Gb(Abramov) 0.8187500E-02 Vb(Abramov) -0.6034769E-02 Hb(Abramov) 0.2152731E-02 Ex_ueg -0.1554107E-02 Ec_ueg -0.3601071E-03 Delta_ex -0.1986348E-02 Delta_ec 0.6385282E-03 Delta_et -0.4471753E-02 Pxc 0.4315680E+01 Qxc -0.3110823E+01 3,+1 73 3 +1 -2.147836 1.207712 1.198793 Rho 0.2600852E-01 |GRAD(Rho)| 0.8820175E-15 GRAD(Rho)x -0.7782262E-15 GRAD(Rho)y 0.4148564E-15 GRAD(Rho)z 0.1459555E-16 Laplacian 0.1031279E+00 (-1/4)Del**2(Rho)) -0.2578199E-01 Diamond 0.1497083E-01 Metallicity 0.1525561E+01 Ellipticity -0.5217160E+01 Gb(Abramov) 0.2374332E-01 Vb(Abramov) -0.2170466E-01 Hb(Abramov) 0.2038662E-02 Ex_ueg -0.5691228E-02 Ec_ueg -0.1139625E-02 Delta_ex -0.6557205E-02 Delta_ec 0.1883919E-02 Delta_et -0.1676360E-01 Pxc 0.4993950E+01 Qxc -0.3480619E+01 3,+1 74 3 -1 -1.975461 0.856919 3.025941 Rho 0.1458760E+00 |GRAD(Rho)| 0.6761901E-15 GRAD(Rho)x 0.2805373E-15 GRAD(Rho)y 0.5512897E-15 GRAD(Rho)z 0.2731512E-15 Laplacian 0.5778411E+00 (-1/4)Del**2(Rho)) -0.1444603E+00 Diamond 0.1135673E+01 Metallicity 0.4820711E+01 Ellipticity 0.3940262E-01 Gb(Abramov) 0.2123737E+00 Vb(Abramov) -0.2802872E+00 Hb(Abramov) -0.6791346E-01 Ex_ueg -0.5671486E-01 Ec_ueg -0.8180043E-02 Delta_ex -0.6166516E-01 Delta_ec 0.1482243E-01 Delta_et -0.1966714E+00 Pxc 0.6933320E+01 Qxc -0.4160261E+01 3,-1 75 3 +1 -1.088948 2.097017 1.312123 Rho 0.2492554E-01 |GRAD(Rho)| 0.1152885E-15 GRAD(Rho)x 0.1202156E-16 GRAD(Rho)y 0.1065586E-15 GRAD(Rho)z 0.4233423E-16 Laplacian 0.1004050E+00 (-1/4)Del**2(Rho)) -0.2510124E-01 Diamond 0.1424994E-01 Metallicity 0.1459707E+01 Ellipticity -0.5972959E+01 Gb(Abramov) 0.2284090E-01 Vb(Abramov) -0.2058056E-01 Hb(Abramov) 0.2260339E-02 Ex_ueg -0.5377467E-02 Ec_ueg -0.1084966E-02 Delta_ex -0.6367454E-02 Delta_ec 0.1931940E-02 Delta_et -0.1698776E-01 Pxc 0.4956347E+01 Qxc -0.3295886E+01 3,+1 76 3 -1 -0.511603 1.693222 1.713326 Rho 0.3535112E-01 |GRAD(Rho)| 0.2499229E-14 GRAD(Rho)x 0.8124570E-15 GRAD(Rho)y 0.1702188E-14 GRAD(Rho)z 0.1639700E-14 Laplacian 0.1455525E+00 (-1/4)Del**2(Rho)) -0.3638813E-01 Diamond 0.4698173E-01 Metallicity 0.1802736E+01 Ellipticity 0.3845559E-01 Gb(Abramov) 0.3519178E-01 Vb(Abramov) -0.3399544E-01 Hb(Abramov) 0.1196345E-02 Ex_ueg -0.8568852E-02 Ec_ueg -0.1622786E-02 Delta_ex -0.1105506E-01 Delta_ec 0.4460516E-02 Delta_et -0.4287095E-01 Pxc 0.5280335E+01 Qxc -0.2478426E+01 3,-1 77 3 -1 -0.837331 1.992616 3.009759 Rho 0.1280596E+00 |GRAD(Rho)| 0.1699640E-15 GRAD(Rho)x 0.1048152E-15 GRAD(Rho)y 0.4641741E-17 GRAD(Rho)z -0.1337160E-15 Laplacian 0.5045393E+00 (-1/4)Del**2(Rho)) -0.1261348E+00 Diamond 0.8391559E+00 Metallicity 0.4443635E+01 Ellipticity 0.4164951E-01 Gb(Abramov) 0.1775061E+00 Vb(Abramov) -0.2288773E+00 Hb(Abramov) -0.5137125E-01 Ex_ueg -0.4767250E-01 Ec_ueg -0.7054184E-02 Delta_ex -0.5205986E-01 Delta_ec 0.1316263E-01 Delta_et -0.1707999E+00 Pxc 0.6758046E+01 Qxc -0.3955126E+01 3,-1 78 3 +1 -0.593673 1.671137 -0.508484 Rho 0.9016283E-02 |GRAD(Rho)| 0.1456991E-16 GRAD(Rho)x -0.1276164E-16 GRAD(Rho)y -0.4215889E-18 GRAD(Rho)z 0.7017483E-17 Laplacian 0.3739904E-01 (-1/4)Del**2(Rho)) -0.9349759E-02 Diamond 0.1085658E-02 Metallicity 0.7196677E+00 Ellipticity -0.1414779E+01 Gb(Abramov) 0.7354626E-02 Vb(Abramov) -0.5359493E-02 Hb(Abramov) 0.1995133E-02 Ex_ueg -0.1385974E-02 Ec_ueg -0.3236440E-03 Delta_ex -0.1736841E-02 Delta_ec 0.5400042E-03 Delta_et -0.3724974E-02 Pxc 0.4282403E+01 Qxc -0.3216347E+01 3,+1 79 3 +1 2.075147 1.015158 -1.318799 Rho 0.2164561E-01 |GRAD(Rho)| 0.7761554E-16 GRAD(Rho)x 0.7599384E-16 GRAD(Rho)y 0.1137066E-17 GRAD(Rho)z -0.1574215E-16 Laplacian 0.8413553E-01 (-1/4)Del**2(Rho)) -0.2103388E-01 Diamond 0.9404617E-02 Metallicity 0.1376945E+01 Ellipticity -0.3742609E+01 Gb(Abramov) 0.1884967E-01 Vb(Abramov) -0.1666546E-01 Hb(Abramov) 0.2184211E-02 Ex_ueg -0.4455311E-02 Ec_ueg -0.9213556E-03 Delta_ex -0.5086068E-02 Delta_ec 0.1516810E-02 Delta_et -0.1289155E-01 Pxc 0.4835604E+01 Qxc -0.3353134E+01 3,+1 80 3 +1 -0.148989 2.969693 0.185277 Rho 0.5309462E-02 |GRAD(Rho)| 0.3462041E-13 GRAD(Rho)x 0.3366037E-13 GRAD(Rho)y 0.5173077E-14 GRAD(Rho)z 0.6228298E-14 Laplacian 0.2208826E-01 (-1/4)Del**2(Rho)) -0.5522064E-02 Diamond 0.5369488E-03 Metallicity 0.5041223E+00 Ellipticity -0.2437734E+01 Gb(Abramov) 0.4145342E-02 Vb(Abramov) -0.2768620E-02 Hb(Abramov) 0.1376722E-02 Ex_ueg -0.6840992E-03 Ec_ueg -0.1602544E-03 Delta_ex -0.1092662E-02 Delta_ec 0.6626917E-03 Delta_et -0.3677613E-02 Pxc 0.4268832E+01 Qxc -0.1648825E+01 3,+1 81 3 +1 -0.658878 -1.685588 0.529294 Rho 0.8913247E-02 |GRAD(Rho)| 0.2357836E-16 GRAD(Rho)x 0.4655558E-17 GRAD(Rho)y 0.2118684E-16 GRAD(Rho)z -0.9240282E-17 Laplacian 0.3692847E-01 (-1/4)Del**2(Rho)) -0.9232118E-02 Diamond 0.1081295E-02 Metallicity 0.7150093E+00 Ellipticity -0.1438636E+01 Gb(Abramov) 0.7254920E-02 Vb(Abramov) -0.5277723E-02 Hb(Abramov) 0.1977198E-02 Ex_ueg -0.1364896E-02 Ec_ueg -0.3190173E-03 Delta_ex -0.1721161E-02 Delta_ec 0.5531220E-03 Delta_et -0.3788569E-02 Pxc 0.4278439E+01 Qxc -0.3111720E+01 3,+1 82 3 -1 -0.830397 2.970489 2.003633 Rho 0.1463998E+00 |GRAD(Rho)| 0.1346209E-15 GRAD(Rho)x -0.1163756E-15 GRAD(Rho)y 0.7724940E-18 GRAD(Rho)z 0.6766777E-16 Laplacian 0.5756798E+00 (-1/4)Del**2(Rho)) -0.1439200E+00 Diamond 0.1120615E+01 Metallicity 0.4867805E+01 Ellipticity 0.5357239E-01 Gb(Abramov) 0.2127090E+00 Vb(Abramov) -0.2814981E+00 Hb(Abramov) -0.6878907E-01 Ex_ueg -0.5698658E-01 Ec_ueg -0.8213452E-02 Delta_ex -0.6132698E-01 Delta_ec 0.1446570E-01 Delta_et -0.1913984E+00 Pxc 0.6938200E+01 Qxc -0.4239476E+01 3,-1 83 3 -1 -0.576054 2.762971 -1.770201 Rho 0.1482466E+00 |GRAD(Rho)| 0.1494278E-13 GRAD(Rho)x 0.1480885E-14 GRAD(Rho)y 0.7347123E-14 GRAD(Rho)z -0.1292724E-13 Laplacian 0.6164279E+00 (-1/4)Del**2(Rho)) -0.1541070E+00 Diamond 0.1230085E+01 Metallicity 0.4642002E+01 Ellipticity 0.1227488E-01 Gb(Abramov) 0.2219655E+00 Vb(Abramov) -0.2898240E+00 Hb(Abramov) -0.6785849E-01 Ex_ueg -0.5794705E-01 Ec_ueg -0.8331364E-02 Delta_ex -0.6599157E-01 Delta_ec 0.1565718E-01 Delta_et -0.2080199E+00 Pxc 0.6955289E+01 Qxc -0.4214779E+01 3,-1 84 3 +1 1.662932 -0.544449 -0.572987 Rho 0.7894130E-02 |GRAD(Rho)| 0.8620797E-17 GRAD(Rho)x -0.4210663E-17 GRAD(Rho)y 0.5867130E-17 GRAD(Rho)z -0.4707999E-17 Laplacian 0.3245614E-01 (-1/4)Del**2(Rho)) -0.8114034E-02 Diamond 0.8210058E-03 Metallicity 0.6644926E+00 Ellipticity -0.1418998E+01 Gb(Abramov) 0.6307975E-02 Vb(Abramov) -0.4501916E-02 Hb(Abramov) 0.1806059E-02 Ex_ueg -0.1160889E-02 Ec_ueg -0.2735090E-03 Delta_ex -0.1475326E-02 Delta_ec 0.5000593E-03 Delta_et -0.3307140E-02 Pxc 0.4244427E+01 Qxc -0.2950302E+01 3,+1 85 3 -1 -0.593610 1.768508 -2.755789 Rho 0.1542705E+00 |GRAD(Rho)| 0.1810614E-13 GRAD(Rho)x 0.1955982E-14 GRAD(Rho)y 0.1546278E-13 GRAD(Rho)z -0.9214594E-14 Laplacian 0.6641753E+00 (-1/4)Del**2(Rho)) -0.1660438E+00 Diamond 0.1386771E+01 Metallicity 0.4604000E+01 Ellipticity 0.2030188E-01 Gb(Abramov) 0.2381068E+00 Vb(Abramov) -0.3101699E+00 Hb(Abramov) -0.7206303E-01 Ex_ueg -0.6110766E-01 Ec_ueg -0.8717447E-02 Delta_ex -0.7176980E-01 Delta_ec 0.1664268E-01 Delta_et -0.2221790E+00 Pxc 0.7009811E+01 Qxc -0.4312395E+01 3,-1 86 3 -1 0.010850 -3.268302 -1.259328 Rho 0.3727730E-01 |GRAD(Rho)| 0.2155850E-16 GRAD(Rho)x 0.1704863E-16 GRAD(Rho)y -0.1200383E-16 GRAD(Rho)z -0.5479176E-17 Laplacian 0.1113058E+00 (-1/4)Del**2(Rho)) -0.2782644E-01 Diamond 0.6009708E-01 Metallicity 0.2575350E+01 Ellipticity 0.2695066E-02 Gb(Abramov) 0.3049476E-01 Vb(Abramov) -0.3316309E-01 Hb(Abramov) -0.2668324E-02 Ex_ueg -0.9196960E-02 Ec_ueg -0.1724737E-02 Delta_ex -0.9933931E-02 Delta_ec 0.5855351E-02 Delta_et -0.5726711E-01 Pxc 0.5332383E+01 Qxc -0.1696556E+01 3,-1 87 3 +1 0.015369 -2.950568 0.074850 Rho 0.4493174E-02 |GRAD(Rho)| 0.1520049E-13 GRAD(Rho)x 0.1068240E-13 GRAD(Rho)y -0.3908922E-14 GRAD(Rho)z 0.1008274E-13 Laplacian 0.1835566E-01 (-1/4)Del**2(Rho)) -0.4588915E-02 Diamond 0.3453298E-03 Metallicity 0.4593023E+00 Ellipticity -0.1999622E+01 Gb(Abramov) 0.3410560E-02 Vb(Abramov) -0.2232205E-02 Hb(Abramov) 0.1178355E-02 Ex_ueg -0.5475907E-03 Ec_ueg -0.1251677E-03 Delta_ex -0.8668913E-03 Delta_ec 0.5293375E-03 Delta_et -0.2803724E-02 Pxc 0.4374858E+01 Qxc -0.1637691E+01 3,+1 88 3 +3 -0.119050 -2.406775 -0.095979 Rho 0.3956867E-02 |GRAD(Rho)| 0.1979342E-16 GRAD(Rho)x -0.1854663E-16 GRAD(Rho)y -0.4567202E-17 GRAD(Rho)z -0.5190618E-17 Laplacian 0.1629549E-01 (-1/4)Del**2(Rho)) -0.4073873E-02 Diamond 0.1177203E-03 Metallicity 0.4185989E+00 Ellipticity -0.2066827E+00 Gb(Abramov) 0.3000135E-02 Vb(Abramov) -0.1926397E-02 Hb(Abramov) 0.1073738E-02 Ex_ueg -0.4622252E-03 Ec_ueg -0.1023025E-03 Delta_ex -0.5723488E-03 Delta_ec 0.1512108E-03 Delta_et -0.9144825E-03 Pxc 0.4518221E+01 Qxc -0.3785106E+01 3,+3 89 3 +1 -0.613854 0.508120 -1.675859 Rho 0.9208129E-02 |GRAD(Rho)| 0.1033049E-16 GRAD(Rho)x 0.3224552E-17 GRAD(Rho)y 0.8987341E-17 GRAD(Rho)z -0.3943230E-17 Laplacian 0.3933068E-01 (-1/4)Del**2(Rho)) -0.9832669E-02 Diamond 0.1233309E-02 Metallicity 0.7087626E+00 Ellipticity -0.1444791E+01 Gb(Abramov) 0.7716617E-02 Vb(Abramov) -0.5600566E-02 Hb(Abramov) 0.2116052E-02 Ex_ueg -0.1425433E-02 Ec_ueg -0.3322709E-03 Delta_ex -0.1860309E-02 Delta_ec 0.6107311E-03 Delta_et -0.4202616E-02 Pxc 0.4289973E+01 Qxc -0.3046036E+01 3,+1 90 3 -1 0.439543 1.644320 -1.669738 Rho 0.4671922E-01 |GRAD(Rho)| 0.1844880E-15 GRAD(Rho)x 0.5375716E-16 GRAD(Rho)y -0.1356184E-15 GRAD(Rho)z 0.1129319E-15 Laplacian 0.1850917E+00 (-1/4)Del**2(Rho)) -0.4627292E-01 Diamond 0.8523947E-01 Metallicity 0.2256241E+01 Ellipticity 0.1189714E-01 Gb(Abramov) 0.4824909E-01 Vb(Abramov) -0.5022526E-01 Hb(Abramov) -0.1976173E-02 Ex_ueg -0.1242737E-01 Ec_ueg -0.2234343E-02 Delta_ex -0.1496280E-01 Delta_ec 0.5490892E-02 Delta_et -0.5687190E-01 Pxc 0.5561978E+01 Qxc -0.2725022E+01 3,-1 91 3 +3 1.086666 1.081749 1.083556 Rho 0.4394613E-02 |GRAD(Rho)| 0.1875680E-14 GRAD(Rho)x -0.1278595E-14 GRAD(Rho)y 0.3688147E-15 GRAD(Rho)z -0.1321872E-14 Laplacian 0.1788452E-01 (-1/4)Del**2(Rho)) -0.4471130E-02 Diamond 0.1183370E-03 Metallicity 0.4542939E+00 Ellipticity -0.2427105E+00 Gb(Abramov) 0.3319288E-02 Vb(Abramov) -0.2167446E-02 Hb(Abramov) 0.1151842E-02 Ex_ueg -0.5316338E-03 Ec_ueg -0.1209543E-03 Delta_ex -0.6113076E-03 Delta_ec 0.1056780E-03 Delta_et -0.7392901E-03 Pxc 0.4395329E+01 Qxc -0.5784625E+01 3,+3 92 3 +1 0.524732 0.486704 1.681962 Rho 0.7941412E-02 |GRAD(Rho)| 0.7886883E-17 GRAD(Rho)x -0.7053160E-17 GRAD(Rho)y 0.3438714E-18 GRAD(Rho)z -0.3512494E-17 Laplacian 0.3297192E-01 (-1/4)Del**2(Rho)) -0.8242980E-02 Diamond 0.8670161E-03 Metallicity 0.6606404E+00 Ellipticity -0.1444657E+01 Gb(Abramov) 0.6402928E-02 Vb(Abramov) -0.4562875E-02 Hb(Abramov) 0.1840052E-02 Ex_ueg -0.1170169E-02 Ec_ueg -0.2756101E-03 Delta_ex -0.1514094E-02 Delta_ec 0.5314129E-03 Delta_et -0.3502276E-02 Pxc 0.4245742E+01 Qxc -0.2849187E+01 3,+1 93 3 +1 1.379383 0.933384 -2.088964 Rho 0.2336517E-01 |GRAD(Rho)| 0.3944934E-16 GRAD(Rho)x -0.2190584E-16 GRAD(Rho)y 0.1955338E-17 GRAD(Rho)z 0.3274998E-16 Laplacian 0.9138516E-01 (-1/4)Del**2(Rho)) -0.2284629E-01 Diamond 0.1035184E-01 Metallicity 0.1439967E+01 Ellipticity -0.2734612E+01 Gb(Abramov) 0.2071384E-01 Vb(Abramov) -0.1858140E-01 Hb(Abramov) 0.2132447E-02 Ex_ueg -0.4933370E-02 Ec_ueg -0.1006761E-02 Delta_ex -0.5518188E-02 Delta_ec 0.1436553E-02 Delta_et -0.1250334E-01 Pxc 0.4900242E+01 Qxc -0.3841270E+01 3,+1 94 3 -1 0.564480 1.823514 2.773110 Rho 0.1391106E+00 |GRAD(Rho)| 0.7742691E-13 GRAD(Rho)x -0.5206148E-13 GRAD(Rho)y 0.5640680E-13 GRAD(Rho)z -0.1013917E-13 Laplacian 0.5809825E+00 (-1/4)Del**2(Rho)) -0.1452456E+00 Diamond 0.1058501E+01 Metallicity 0.4429797E+01 Ellipticity 0.2103348E-01 Gb(Abramov) 0.2040652E+00 Vb(Abramov) -0.2628847E+00 Hb(Abramov) -0.5881956E-01 Ex_ueg -0.5323517E-01 Ec_ueg -0.7750122E-02 Delta_ex -0.6106572E-01 Delta_ec 0.1468296E-01 Delta_et -0.1926397E+00 Pxc 0.6868947E+01 Qxc -0.4158952E+01 3,-1 95 3 -1 0.836538 1.928389 -2.952390 Rho 0.1324577E+00 |GRAD(Rho)| 0.2598075E-14 GRAD(Rho)x -0.1967258E-14 GRAD(Rho)y 0.1504005E-14 GRAD(Rho)z 0.7860398E-15 Laplacian 0.5246172E+00 (-1/4)Del**2(Rho)) -0.1311543E+00 Diamond 0.9198243E+00 Metallicity 0.4520979E+01 Ellipticity 0.3066759E-01 Gb(Abramov) 0.1862605E+00 Vb(Abramov) -0.2413667E+00 Hb(Abramov) -0.5510622E-01 Ex_ueg -0.4986792E-01 Ec_ueg -0.7330197E-02 Delta_ex -0.5470620E-01 Delta_ec 0.1380984E-01 Delta_et -0.1806210E+00 Pxc 0.6803080E+01 Qxc -0.3961392E+01 3,-1 96 3 +1 1.758552 1.783649 1.761687 Rho 0.1218458E-01 |GRAD(Rho)| 0.1255765E-12 GRAD(Rho)x -0.4547836E-13 GRAD(Rho)y 0.1082189E-12 GRAD(Rho)z -0.4460770E-13 Laplacian 0.6105540E-01 (-1/4)Del**2(Rho)) -0.1526385E-01 Diamond 0.2492266E-02 Metallicity 0.7281820E+00 Ellipticity -0.1257770E+01 Gb(Abramov) 0.1202838E-01 Vb(Abramov) -0.8792903E-02 Hb(Abramov) 0.3235473E-02 Ex_ueg -0.2070772E-02 Ec_ueg -0.4680965E-03 Delta_ex -0.3011560E-02 Delta_ec 0.7894681E-03 Delta_et -0.5944131E-02 Pxc 0.4423816E+01 Qxc -0.3814670E+01 3,+1 97 3 +1 1.292845 2.074164 -1.037717 Rho 0.2469217E-01 |GRAD(Rho)| 0.4689045E-14 GRAD(Rho)x 0.3527815E-14 GRAD(Rho)y 0.2340659E-14 GRAD(Rho)z 0.2015684E-14 Laplacian 0.9582530E-01 (-1/4)Del**2(Rho)) -0.2395633E-01 Diamond 0.1227081E-01 Metallicity 0.1505677E+01 Ellipticity -0.3650025E+01 Gb(Abramov) 0.2198263E-01 Vb(Abramov) -0.2000894E-01 Hb(Abramov) 0.1973695E-02 Ex_ueg -0.5310443E-02 Ec_ueg -0.1073228E-02 Delta_ex -0.5934596E-02 Delta_ec 0.1616197E-02 Delta_et -0.1422564E-01 Pxc 0.4948104E+01 Qxc -0.3671950E+01 3,+1 98 3 +1 1.872385 -1.785974 -1.753422 Rho 0.1457301E-01 |GRAD(Rho)| 0.2342044E-16 GRAD(Rho)x -0.4042729E-17 GRAD(Rho)y 0.1222443E-16 GRAD(Rho)z -0.1956366E-16 Laplacian 0.6926607E-01 (-1/4)Del**2(Rho)) -0.1731652E-01 Diamond 0.3687801E-02 Metallicity 0.8649839E+00 Ellipticity -0.1406508E+01 Gb(Abramov) 0.1404076E-01 Vb(Abramov) -0.1076501E-01 Hb(Abramov) 0.3275754E-02 Ex_ueg -0.2628960E-02 Ec_ueg -0.5796138E-03 Delta_ex -0.3599296E-02 Delta_ec 0.9243909E-03 Delta_et -0.7248048E-02 Pxc 0.4535710E+01 Qxc -0.3893695E+01 3,+1 99 3 +3 0.950965 -1.120714 -1.247819 Rho 0.4169778E-02 |GRAD(Rho)| 0.6925611E-17 GRAD(Rho)x 0.6548921E-18 GRAD(Rho)y 0.2152049E-17 GRAD(Rho)z -0.6550106E-17 Laplacian 0.1713757E-01 (-1/4)Del**2(Rho)) -0.4284391E-02 Diamond 0.1337875E-03 Metallicity 0.4343625E+00 Ellipticity -0.4764296E+00 Gb(Abramov) 0.3166424E-02 Vb(Abramov) -0.2048457E-02 Hb(Abramov) 0.1117967E-02 Ex_ueg -0.4956811E-03 Ec_ueg -0.1113618E-03 Delta_ex -0.6109756E-03 Delta_ec 0.1608651E-03 Delta_et -0.9827783E-03 Pxc 0.4451087E+01 Qxc -0.3798062E+01 3,+3 100 3 -1 1.592516 -1.737091 0.413514 Rho 0.4068685E-01 |GRAD(Rho)| 0.2515503E-13 GRAD(Rho)x 0.1494330E-13 GRAD(Rho)y -0.2013140E-13 GRAD(Rho)z 0.2049406E-14 Laplacian 0.1582860E+00 (-1/4)Del**2(Rho)) -0.3957149E-01 Diamond 0.6018950E-01 Metallicity 0.2095371E+01 Ellipticity 0.8618830E-02 Gb(Abramov) 0.4020048E-01 Vb(Abramov) -0.4082948E-01 Hb(Abramov) -0.6289945E-03 Ex_ueg -0.1033532E-01 Ec_ueg -0.1906945E-02 Delta_ex -0.1234981E-01 Delta_ec 0.4678567E-02 Delta_et -0.4670492E-01 Pxc 0.5419829E+01 Qxc -0.2639657E+01 3,-1 101 3 +1 1.975096 -2.007261 2.025080 Rho 0.1232167E-01 |GRAD(Rho)| 0.1328302E-12 GRAD(Rho)x -0.1223001E-12 GRAD(Rho)y -0.3755157E-13 GRAD(Rho)z 0.3572717E-13 Laplacian 0.5801978E-01 (-1/4)Del**2(Rho)) -0.1450495E-01 Diamond 0.2066991E-02 Metallicity 0.7807045E+00 Ellipticity -0.1192111E+01 Gb(Abramov) 0.1155731E-01 Vb(Abramov) -0.8609673E-02 Hb(Abramov) 0.2947636E-02 Ex_ueg -0.2101897E-02 Ec_ueg -0.4744389E-03 Delta_ex -0.2776017E-02 Delta_ec 0.5818728E-03 Delta_et -0.4521059E-02 Pxc 0.4430279E+01 Qxc -0.4770831E+01 3,+1 102 3 +3 1.785570 -1.814368 1.823799 Rho 0.1184994E-01 |GRAD(Rho)| 0.1970971E-16 GRAD(Rho)x -0.1563437E-16 GRAD(Rho)y 0.5746907E-17 GRAD(Rho)z -0.1053623E-16 Laplacian 0.5392573E-01 (-1/4)Del**2(Rho)) -0.1348143E-01 Diamond 0.1112019E-02 Metallicity 0.7870649E+00 Ellipticity -0.5632900E+00 Gb(Abramov) 0.1075608E-01 Vb(Abramov) -0.8030732E-02 Hb(Abramov) 0.2725351E-02 Ex_ueg -0.1995292E-02 Ec_ueg -0.4526460E-03 Delta_ex -0.2344566E-02 Delta_ec 0.1690780E-03 Delta_et -0.1674584E-02 Pxc 0.4408063E+01 Qxc -0.1386677E+02 3,+3 103 3 +3 2.300465 0.001524 0.025838 Rho 0.3965102E-02 |GRAD(Rho)| 0.1311040E-14 GRAD(Rho)x -0.9725302E-15 GRAD(Rho)y -0.6283874E-15 GRAD(Rho)z 0.6149303E-15 Laplacian 0.1632308E-01 (-1/4)Del**2(Rho)) -0.4080770E-02 Diamond 0.1172833E-03 Metallicity 0.4193419E+00 Ellipticity -0.3216653E+00 Gb(Abramov) 0.3005720E-02 Vb(Abramov) -0.1930670E-02 Hb(Abramov) 0.1075050E-02 Ex_ueg -0.4635083E-03 Ec_ueg -0.1026524E-03 Delta_ex -0.5723926E-03 Delta_ec 0.1492783E-03 Delta_et -0.9063130E-03 Pxc 0.4515317E+01 Qxc -0.3834398E+01 3,+3 104 3 +1 2.047728 -1.142999 1.223746 Rho 0.2312548E-01 |GRAD(Rho)| 0.3326370E-16 GRAD(Rho)x -0.1975887E-16 GRAD(Rho)y 0.2479846E-16 GRAD(Rho)z 0.1005472E-16 Laplacian 0.9323853E-01 (-1/4)Del**2(Rho)) -0.2330963E-01 Diamond 0.1275218E-01 Metallicity 0.1387296E+01 Ellipticity -0.1306112E+02 Gb(Abramov) 0.2092932E-01 Vb(Abramov) -0.1854900E-01 Hb(Abramov) 0.2380318E-02 Ex_ueg -0.4866008E-02 Ec_ueg -0.9948062E-03 Delta_ex -0.5896410E-02 Delta_ec 0.1968988E-02 Delta_et -0.1694034E-01 Pxc 0.4891413E+01 Qxc -0.2994640E+01 3,+1 105 3 -1 1.961638 -0.842518 2.984152 Rho 0.1334479E+00 |GRAD(Rho)| 0.2343723E-13 GRAD(Rho)x -0.1423022E-13 GRAD(Rho)y -0.1843751E-13 GRAD(Rho)z -0.2619703E-14 Laplacian 0.5265682E+00 (-1/4)Del**2(Rho)) -0.1316420E+00 Diamond 0.9215201E+00 Metallicity 0.4560488E+01 Ellipticity 0.3877173E-01 Gb(Abramov) 0.1878200E+00 Vb(Abramov) -0.2439980E+00 Hb(Abramov) -0.5617798E-01 Ex_ueg -0.5036559E-01 Ec_ueg -0.7392515E-02 Delta_ex -0.5489180E-01 Delta_ec 0.1362815E-01 Delta_et -0.1780560E+00 Pxc 0.6813052E+01 Qxc -0.4027825E+01 3,-1 106 3 +1 1.300583 -1.034445 2.085254 Rho 0.2224701E-01 |GRAD(Rho)| 0.9980944E-17 GRAD(Rho)x 0.4645223E-17 GRAD(Rho)y -0.6229350E-17 GRAD(Rho)z -0.6263893E-17 Laplacian 0.8560588E-01 (-1/4)Del**2(Rho)) -0.2140147E-01 Diamond 0.9256102E-02 Metallicity 0.1416540E+01 Ellipticity -0.2923168E+01 Gb(Abramov) 0.1932032E-01 Vb(Abramov) -0.1723917E-01 Hb(Abramov) 0.2081149E-02 Ex_ueg -0.4621120E-02 Ec_ueg -0.9511299E-03 Delta_ex -0.5126000E-02 Delta_ec 0.1389298E-02 Delta_et -0.1193515E-01 Pxc 0.4858558E+01 Qxc -0.3689634E+01 3,+1 107 3 -1 2.823217 -0.577713 -1.816896 Rho 0.1277943E+00 |GRAD(Rho)| 0.2615034E-12 GRAD(Rho)x -0.1916016E-13 GRAD(Rho)y 0.1685066E-12 GRAD(Rho)z -0.1990539E-12 Laplacian 0.5220644E+00 (-1/4)Del**2(Rho)) -0.1305161E+00 Diamond 0.8655568E+00 Metallicity 0.4279651E+01 Ellipticity 0.1277161E-01 Gb(Abramov) 0.1801046E+00 Vb(Abramov) -0.2296932E+00 Hb(Abramov) -0.4958853E-01 Ex_ueg -0.4754087E-01 Ec_ueg -0.7037577E-02 Delta_ex -0.5383400E-01 Delta_ec 0.1361368E-01 Delta_et -0.1765696E+00 Pxc 0.6755290E+01 Qxc -0.3954404E+01 3,-1 108 3 +1 2.965101 -0.048968 0.086206 Rho 0.4854957E-02 |GRAD(Rho)| 0.1171213E-14 GRAD(Rho)x -0.2167111E-15 GRAD(Rho)y -0.7362258E-15 GRAD(Rho)z 0.8847298E-15 Laplacian 0.1983982E-01 (-1/4)Del**2(Rho)) -0.4959955E-02 Diamond 0.4932678E-03 Metallicity 0.4834866E+00 Ellipticity -0.7564149E+01 Gb(Abramov) 0.3706316E-02 Vb(Abramov) -0.2452676E-02 Hb(Abramov) 0.1253640E-02 Ex_ueg -0.6071541E-03 Ec_ueg -0.1406764E-03 Delta_ex -0.1027730E-02 Delta_ec 0.7084546E-03 Delta_et -0.3779677E-02 Pxc 0.4315964E+01 Qxc -0.1450665E+01 3,+1 109 3 -1 2.952198 -0.854328 1.984255 Rho 0.1628624E+00 |GRAD(Rho)| 0.8624555E-13 GRAD(Rho)x -0.2263546E-13 GRAD(Rho)y 0.6183013E-13 GRAD(Rho)z 0.5570427E-13 Laplacian 0.6406643E+00 (-1/4)Del**2(Rho)) -0.1601661E+00 Diamond 0.1414910E+01 Metallicity 0.5224173E+01 Ellipticity 0.6295840E-01 Gb(Abramov) 0.2462332E+00 Vb(Abramov) -0.3323004E+00 Hb(Abramov) -0.8606717E-01 Ex_ueg -0.6568703E-01 Ec_ueg -0.9271916E-02 Delta_ex -0.7005185E-01 Delta_ec 0.1563170E-01 Delta_et -0.2096044E+00 Pxc 0.7084515E+01 Qxc -0.4481396E+01 3,-1 110 3 +1 1.665589 0.508216 0.563148 Rho 0.7211533E-02 |GRAD(Rho)| 0.7424137E-16 GRAD(Rho)x -0.6698842E-16 GRAD(Rho)y -0.2003231E-16 GRAD(Rho)z 0.2496076E-16 Laplacian 0.2928171E-01 (-1/4)Del**2(Rho)) -0.7320426E-02 Diamond 0.6713467E-03 Metallicity 0.6334750E+00 Ellipticity -0.1423968E+01 Gb(Abramov) 0.5653169E-02 Vb(Abramov) -0.3985911E-02 Hb(Abramov) 0.1667258E-02 Ex_ueg -0.1029015E-02 Ec_ueg -0.2432913E-03 Delta_ex -0.1311036E-02 Delta_ec 0.4677254E-03 Delta_et -0.3007167E-02 Pxc 0.4229561E+01 Qxc -0.2803003E+01 3,+1 111 3 -1 3.279475 -0.022696 -3.198551 Rho 0.2347049E+00 |GRAD(Rho)| 0.7190120E-15 GRAD(Rho)x -0.4418666E-15 GRAD(Rho)y 0.1183407E-15 GRAD(Rho)z 0.5547320E-15 Laplacian 0.8258806E+00 (-1/4)Del**2(Rho)) -0.2064701E+00 Diamond 0.2868961E+01 Metallicity 0.7451313E+01 Ellipticity 0.9145729E-03 Gb(Abramov) 0.3940590E+00 Vb(Abramov) -0.5816479E+00 Hb(Abramov) -0.1875889E+00 Ex_ueg -0.1069255E+00 Ec_ueg -0.1407385E-01 Delta_ex -0.9934366E-01 Delta_ec 0.1861393E-01 Delta_et -0.2586916E+00 Pxc 0.7597461E+01 Qxc -0.5337061E+01 3,-1 112 3 -1 3.195264 0.023450 3.195910 Rho 0.2344488E+00 |GRAD(Rho)| 0.9696482E-15 GRAD(Rho)x -0.6726390E-15 GRAD(Rho)y -0.1125402E-15 GRAD(Rho)z -0.6892815E-15 Laplacian 0.8272502E+00 (-1/4)Del**2(Rho)) -0.2068126E+00 Diamond 0.2869179E+01 Metallicity 0.7425454E+01 Ellipticity 0.5109215E-02 Gb(Abramov) 0.3938212E+00 Vb(Abramov) -0.5808299E+00 Hb(Abramov) -0.1870087E+00 Ex_ueg -0.1067700E+00 Ec_ueg -0.1405622E-01 Delta_ex -0.9947597E-01 Delta_ec 0.1864320E-01 Delta_et -0.2590536E+00 Pxc 0.7595923E+01 Qxc -0.5335778E+01 3,-1 113 3 -1 -1.776384 -1.669422 -0.487465 Rho 0.4672536E-01 |GRAD(Rho)| 0.2747201E-12 GRAD(Rho)x 0.1499393E-12 GRAD(Rho)y -0.9306942E-13 GRAD(Rho)z 0.2105408E-12 Laplacian 0.1844861E+00 (-1/4)Del**2(Rho)) -0.4612154E-01 Diamond 0.8524031E-01 Metallicity 0.2264143E+01 Ellipticity 0.1905183E-01 Gb(Abramov) 0.4815198E-01 Vb(Abramov) -0.5018243E-01 Hb(Abramov) -0.2030448E-02 Ex_ueg -0.1242955E-01 Ec_ueg -0.2234680E-02 Delta_ex -0.1492682E-01 Delta_ec 0.5495201E-02 Delta_et -0.5692362E-01 Pxc 0.5562116E+01 Qxc -0.2716337E+01 3,-1 114 3 +1 -1.734750 -0.523052 0.563325 Rho 0.9594833E-02 |GRAD(Rho)| 0.1648478E-12 GRAD(Rho)x 0.4640287E-13 GRAD(Rho)y -0.1519934E-12 GRAD(Rho)z 0.4381325E-13 Laplacian 0.4058700E-01 (-1/4)Del**2(Rho)) -0.1014675E-01 Diamond 0.1325265E-02 Metallicity 0.7355664E+00 Ellipticity -0.1455016E+01 Gb(Abramov) 0.8008435E-02 Vb(Abramov) -0.5870120E-02 Hb(Abramov) 0.2138315E-02 Ex_ueg -0.1505803E-02 Ec_ueg -0.3497086E-03 Delta_ex -0.1931534E-02 Delta_ec 0.6157646E-03 Delta_et -0.4293460E-02 Pxc 0.4305880E+01 Qxc -0.3136806E+01 3,+1 115 3 -1 -2.980767 0.867208 2.035657 Rho 0.1448994E+00 |GRAD(Rho)| 0.4719202E-13 GRAD(Rho)x 0.1960567E-13 GRAD(Rho)y 0.2010573E-13 GRAD(Rho)z -0.3792709E-13 Laplacian 0.5785866E+00 (-1/4)Del**2(Rho)) -0.1446466E+00 Diamond 0.1126195E+01 Metallicity 0.4760900E+01 Ellipticity 0.4277959E-01 Gb(Abramov) 0.2112058E+00 Vb(Abramov) -0.2777650E+00 Hb(Abramov) -0.6655916E-01 Ex_ueg -0.5620916E-01 Ec_ueg -0.8117805E-02 Delta_ex -0.6162452E-01 Delta_ec 0.1483245E-01 Delta_et -0.1965388E+00 Pxc 0.6924183E+01 Qxc -0.4154710E+01 3,-1 116 3 -1 -2.800357 1.774446 -0.555717 Rho 0.1917723E+00 |GRAD(Rho)| 0.9817250E-16 GRAD(Rho)x -0.5475221E-17 GRAD(Rho)y -0.9080193E-16 GRAD(Rho)z 0.3691708E-16 Laplacian 0.7863995E+00 (-1/4)Del**2(Rho)) -0.1965999E+00 Diamond 0.2106336E+01 Metallicity 0.5588302E+01 Ellipticity 0.2022014E-01 Gb(Abramov) 0.3141765E+00 Vb(Abramov) -0.4317531E+00 Hb(Abramov) -0.1175766E+00 Ex_ueg -0.8167698E-01 Ec_ueg -0.1116931E-01 Delta_ex -0.8955052E-01 Delta_ec 0.1828698E-01 Delta_et -0.2490698E+00 Pxc 0.7312622E+01 Qxc -0.4896955E+01 3,-1 117 3 +1 -0.192742 -0.402484 -3.018050 Rho 0.3176856E-02 |GRAD(Rho)| 0.7065672E-17 GRAD(Rho)x 0.5306814E-17 GRAD(Rho)y -0.3091558E-17 GRAD(Rho)z 0.3493382E-17 Laplacian 0.1240942E-01 (-1/4)Del**2(Rho)) -0.3102354E-02 Diamond 0.1404082E-03 Metallicity 0.3812334E+00 Ellipticity -0.1601539E+01 Gb(Abramov) 0.2265356E-02 Vb(Abramov) -0.1428358E-02 Hb(Abramov) 0.8369979E-03 Ex_ueg -0.3449174E-03 Ec_ueg -0.6931945E-04 Delta_ex -0.5380931E-03 Delta_ec 0.3391389E-03 Delta_et -0.1627665E-02 Pxc 0.4975766E+01 Qxc -0.1586645E+01 3,+1 118 3 +3 -2.407658 0.001748 0.031512 Rho 0.4916321E-02 |GRAD(Rho)| 0.7782828E-17 GRAD(Rho)x 0.2984967E-17 GRAD(Rho)y -0.6608763E-17 GRAD(Rho)z 0.2826064E-17 Laplacian 0.2059393E-01 (-1/4)Del**2(Rho)) -0.5148482E-02 Diamond 0.2173253E-03 Metallicity 0.4756356E+00 Ellipticity -0.4326704E+00 Gb(Abramov) 0.3840455E-02 Vb(Abramov) -0.2532428E-02 Hb(Abramov) 0.1308027E-02 Ex_ueg -0.6174077E-03 Ec_ueg -0.1433135E-03 Delta_ex -0.7811159E-03 Delta_ec 0.2209355E-03 Delta_et -0.1366973E-02 Pxc 0.4308091E+01 Qxc -0.3535493E+01 3,+3 119 3 -1 0.090953 -1.962378 -1.032045 Rho 0.7761991E-02 |GRAD(Rho)| 0.4125720E-14 GRAD(Rho)x -0.3327703E-14 GRAD(Rho)y 0.1425514E-14 GRAD(Rho)z -0.1978855E-14 Laplacian 0.3051861E-01 (-1/4)Del**2(Rho)) -0.7629653E-02 Diamond 0.1498051E-02 Metallicity 0.6870741E+00 Ellipticity 0.5635361E+00 Gb(Abramov) 0.5960125E-02 Vb(Abramov) -0.4290597E-02 Hb(Abramov) 0.1669528E-02 Ex_ueg -0.1135052E-02 Ec_ueg -0.2676427E-03 Delta_ex -0.1765602E-02 Delta_ec 0.1156013E-02 Delta_et -0.7087380E-02 Pxc 0.4240924E+01 Qxc -0.1527320E+01 3,-1 120 3 -1 -0.078799 -3.191139 3.210734 Rho 0.2455076E+00 |GRAD(Rho)| 0.2865588E-15 GRAD(Rho)x -0.3241764E-16 GRAD(Rho)y 0.2709421E-15 GRAD(Rho)z -0.8749512E-16 Laplacian 0.8937871E+00 (-1/4)Del**2(Rho)) -0.2234468E+00 Diamond 0.3242730E+01 Metallicity 0.7421426E+01 Ellipticity 0.2156699E-02 Gb(Abramov) 0.4253468E+00 Vb(Abramov) -0.6272468E+00 Hb(Abramov) -0.2019000E+00 Ex_ueg -0.1135372E+00 Ec_ueg -0.1482067E-01 Delta_ex -0.1086000E+00 Delta_ec 0.1955733E-01 Delta_et -0.2708477E+00 Pxc 0.7660737E+01 Qxc -0.5552906E+01 3,-1 121 3 -1 -0.205547 -1.324299 -3.367869 Rho 0.5410331E-02 |GRAD(Rho)| 0.1504919E-15 GRAD(Rho)x -0.5727057E-16 GRAD(Rho)y 0.8241768E-16 GRAD(Rho)z 0.1121393E-15 Laplacian 0.2114178E-01 (-1/4)Del**2(Rho)) -0.5285445E-02 Diamond 0.8262413E-03 Metallicity 0.5434731E+00 Ellipticity 0.8130708E-01 Gb(Abramov) 0.4002380E-02 Vb(Abramov) -0.2719314E-02 Hb(Abramov) 0.1283066E-02 Ex_ueg -0.7014826E-03 Ec_ueg -0.1646135E-03 Delta_ex -0.1299779E-02 Delta_ec 0.1080697E-02 Delta_et -0.5843479E-02 Pxc 0.4261390E+01 Qxc -0.1202722E+01 3,-1 122 3 -1 0.246990 -1.195853 -1.868877 Rho 0.5767833E-02 |GRAD(Rho)| 0.1845049E-16 GRAD(Rho)x 0.1001333E-16 GRAD(Rho)y -0.2579321E-17 GRAD(Rho)z -0.1528074E-16 Laplacian 0.2341849E-01 (-1/4)Del**2(Rho)) -0.5854622E-02 Diamond 0.8082888E-03 Metallicity 0.5458527E+00 Ellipticity 0.9561185E+00 Gb(Abramov) 0.4435708E-02 Vb(Abramov) -0.3016794E-02 Hb(Abramov) 0.1418914E-02 Ex_ueg -0.7639565E-03 Ec_ueg -0.1801040E-03 Delta_ex -0.1309666E-02 Delta_ec 0.9381604E-03 Delta_et -0.5238344E-02 Pxc 0.4241752E+01 Qxc -0.1395993E+01 3,-1 123 3 +1 0.354669 -1.768582 -0.706175 Rho 0.7200202E-02 |GRAD(Rho)| 0.1131133E-17 GRAD(Rho)x 0.1075732E-18 GRAD(Rho)y -0.8216220E-18 GRAD(Rho)z -0.7699529E-18 Laplacian 0.2961102E-01 (-1/4)Del**2(Rho)) -0.7402756E-02 Diamond 0.8531381E-03 Metallicity 0.6247902E+00 Ellipticity -0.1775285E+01 Gb(Abramov) 0.5706032E-02 Vb(Abramov) -0.4009308E-02 Hb(Abramov) 0.1696724E-02 Ex_ueg -0.1026860E-02 Ec_ueg -0.2427915E-03 Delta_ex -0.1425594E-02 Delta_ec 0.6520988E-03 Delta_et -0.4056396E-02 Pxc 0.4229391E+01 Qxc -0.2186163E+01 3,+1 124 3 +1 0.068245 -0.065653 2.950295 Rho 0.5077725E-02 |GRAD(Rho)| 0.3296407E-17 GRAD(Rho)x -0.1169566E-18 GRAD(Rho)y -0.3214263E-17 GRAD(Rho)z -0.7218995E-18 Laplacian 0.2079185E-01 (-1/4)Del**2(Rho)) -0.5197962E-02 Diamond 0.5309289E-03 Metallicity 0.4971667E+00 Ellipticity -0.5782303E+01 Gb(Abramov) 0.3896017E-02 Vb(Abramov) -0.2594072E-02 Hb(Abramov) 0.1301945E-02 Ex_ueg -0.6445807E-03 Ec_ueg -0.1502592E-03 Delta_ex -0.1069493E-02 Delta_ec 0.7130282E-03 Delta_et -0.3866785E-02 Pxc 0.4289793E+01 Qxc -0.1499931E+01 3,+1 125 3 +1 0.461964 -0.777844 -1.770161 Rho 0.5349658E-02 |GRAD(Rho)| 0.7111374E-16 GRAD(Rho)x 0.1835987E-16 GRAD(Rho)y 0.5951748E-16 GRAD(Rho)z 0.3431834E-16 Laplacian 0.2210774E-01 (-1/4)Del**2(Rho)) -0.5526936E-02 Diamond 0.4628231E-03 Metallicity 0.5100492E+00 Ellipticity -0.1708545E+01 Gb(Abramov) 0.4154459E-02 Vb(Abramov) -0.2781982E-02 Hb(Abramov) 0.1372477E-02 Ex_ueg -0.6910133E-03 Ec_ueg -0.1619909E-03 Delta_ex -0.1027311E-02 Delta_ec 0.5419561E-03 Delta_et -0.3065434E-02 Pxc 0.4265754E+01 Qxc -0.1895561E+01 3,+1 126 3 -1 0.275257 -0.407957 0.329583 Rho 0.1991564E+00 |GRAD(Rho)| 0.2563365E-15 GRAD(Rho)x -0.1046235E-15 GRAD(Rho)y 0.7923900E-16 GRAD(Rho)z -0.2201897E-15 Laplacian 0.6823745E+00 (-1/4)Del**2(Rho)) -0.1705936E+00 Diamond 0.2162687E+01 Metallicity 0.6858792E+01 Ellipticity 0.4937328E-02 Gb(Abramov) 0.3087401E+00 Vb(Abramov) -0.4468866E+00 Hb(Abramov) -0.1381465E+00 Ex_ueg -0.8589691E-01 Ec_ueg -0.1166158E-01 Delta_ex -0.8016530E-01 Delta_ec 0.1875250E-01 Delta_et -0.2668653E+00 Pxc 0.7365801E+01 Qxc -0.4274913E+01 3,-1 127 3 -1 1.652234 1.676886 -0.480208 Rho 0.3431657E-01 |GRAD(Rho)| 0.1830826E-13 GRAD(Rho)x 0.1333540E-13 GRAD(Rho)y 0.1147681E-13 GRAD(Rho)z 0.5063838E-14 Laplacian 0.1309755E+00 (-1/4)Del**2(Rho)) -0.3274388E-01 Diamond 0.3863900E-01 Metallicity 0.1906614E+01 Ellipticity 0.1850713E-01 Gb(Abramov) 0.3223425E-01 Vb(Abramov) -0.3172461E-01 Hb(Abramov) 0.5096340E-03 Ex_ueg -0.8236138E-02 Ec_ueg -0.1568336E-02 Delta_ex -0.9736296E-02 Delta_ec 0.3764717E-02 Delta_et -0.3588363E-01 Pxc 0.5251515E+01 Qxc -0.2586196E+01 3,-1 128 3 -1 2.748635 -1.828621 -0.613610 Rho 0.1444049E+00 |GRAD(Rho)| 0.4477045E-09 GRAD(Rho)x 0.1394188E-09 GRAD(Rho)y 0.3345255E-09 GRAD(Rho)z -0.2628581E-09 Laplacian 0.5950798E+00 (-1/4)Del**2(Rho)) -0.1487700E+00 Diamond 0.1157130E+01 Metallicity 0.4602651E+01 Ellipticity 0.1338821E-01 Gb(Abramov) 0.2133027E+00 Vb(Abramov) -0.2778354E+00 Hb(Abramov) -0.6453271E-01 Ex_ueg -0.5595357E-01 Ec_ueg -0.8086317E-02 Delta_ex -0.6336573E-01 Delta_ec 0.1533502E-01 Delta_et -0.2032429E+00 Pxc 0.6919537E+01 Qxc -0.4132092E+01 3,-1 129 3 -1 2.888595 -2.000571 0.790395 Rho 0.9957062E-01 |GRAD(Rho)| 0.1929844E-13 GRAD(Rho)x -0.6176015E-14 GRAD(Rho)y -0.1153558E-13 GRAD(Rho)z -0.1418510E-13 Laplacian 0.3986549E+00 (-1/4)Del**2(Rho)) -0.9966373E-01 Diamond 0.4935232E+00 Metallicity 0.3697442E+01 Ellipticity 0.4728108E-02 Gb(Abramov) 0.1278593E+00 Vb(Abramov) -0.1560549E+00 Hb(Abramov) -0.2819557E-01 Ex_ueg -0.3408474E-01 Ec_ueg -0.5299049E-02 Delta_ex -0.3881581E-01 Delta_ec 0.1113544E-01 Delta_et -0.1382167E+00 Pxc 0.6432237E+01 Qxc -0.3485791E+01 3,-1 130 3 +3 1.825048 1.761451 -1.808596 Rho 0.1185474E-01 |GRAD(Rho)| 0.1029423E-13 GRAD(Rho)x -0.6624933E-14 GRAD(Rho)y -0.6168447E-14 GRAD(Rho)z 0.4902218E-14 Laplacian 0.5405294E-01 (-1/4)Del**2(Rho)) -0.1351324E-01 Diamond 0.1094165E-02 Metallicity 0.7857428E+00 Ellipticity -0.5753258E+00 Gb(Abramov) 0.1077848E-01 Vb(Abramov) -0.8043721E-02 Hb(Abramov) 0.2734757E-02 Ex_ueg -0.1996370E-02 Ec_ueg -0.4528673E-03 Delta_ex -0.2344178E-02 Delta_ec 0.1584058E-03 Delta_et -0.1604369E-02 Pxc 0.4408288E+01 Qxc -0.1479856E+02 3,+3 131 3 -1 2.997913 0.820701 -1.971452 Rho 0.1269675E+00 |GRAD(Rho)| 0.1428916E-13 GRAD(Rho)x -0.3489572E-14 GRAD(Rho)y -0.9711822E-14 GRAD(Rho)z -0.9883499E-14 Laplacian 0.5169855E+00 (-1/4)Del**2(Rho)) -0.1292464E+00 Diamond 0.8488339E+00 Metallicity 0.4275195E+01 Ellipticity 0.3126675E-01 Gb(Abramov) 0.1782565E+00 Vb(Abramov) -0.2272666E+00 Hb(Abramov) -0.4901012E-01 Ex_ueg -0.4713121E-01 Ec_ueg -0.6985847E-02 Delta_ex -0.5320651E-01 Delta_ec 0.1346567E-01 Delta_et -0.1743988E+00 Pxc 0.6746671E+01 Qxc -0.3951272E+01 3,-1 132 3 -1 -3.213566 3.155751 -0.066528 Rho 0.2419395E+00 |GRAD(Rho)| 0.8070938E-15 GRAD(Rho)x 0.4778079E-15 GRAD(Rho)y -0.6433656E-15 GRAD(Rho)z 0.9581637E-16 Laplacian 0.8835834E+00 (-1/4)Del**2(Rho)) -0.2208959E+00 Diamond 0.3146990E+01 Metallicity 0.7326168E+01 Ellipticity 0.9050943E-02 Gb(Abramov) 0.4169839E+00 Vb(Abramov) -0.6130720E+00 Hb(Abramov) -0.1960881E+00 Ex_ueg -0.1113424E+00 Ec_ueg -0.1457329E-01 Delta_ex -0.1069353E+00 Delta_ec 0.1939337E-01 Delta_et -0.2683503E+00 Pxc 0.7640173E+01 Qxc -0.5514012E+01 3,-1 133 3 -1 1.687645 0.475070 -1.714201 Rho 0.3015848E-01 |GRAD(Rho)| 0.3875983E-16 GRAD(Rho)x 0.3088917E-16 GRAD(Rho)y -0.6809113E-17 GRAD(Rho)z -0.2240132E-16 Laplacian 0.1220036E+00 (-1/4)Del**2(Rho)) -0.3050090E-01 Diamond 0.3137202E-01 Metallicity 0.1650402E+01 Ellipticity 0.3523986E-01 Gb(Abramov) 0.2872372E-01 Vb(Abramov) -0.2694655E-01 Hb(Abramov) 0.1777177E-02 Ex_ueg -0.6933157E-02 Ec_ueg -0.1351785E-02 Delta_ex -0.8885966E-02 Delta_ec 0.3687439E-02 Delta_et -0.3391545E-01 Pxc 0.5128891E+01 Qxc -0.2409793E+01 3,-1 134 3 +1 -0.313030 -1.118848 -2.580163 Rho 0.3589036E-02 |GRAD(Rho)| 0.5134314E-17 GRAD(Rho)x -0.2978433E-17 GRAD(Rho)y 0.2342046E-17 GRAD(Rho)z -0.3464815E-17 Laplacian 0.1430915E-01 (-1/4)Del**2(Rho)) -0.3577287E-02 Diamond 0.1464808E-03 Metallicity 0.4051624E+00 Ellipticity -0.1314944E+01 Gb(Abramov) 0.2626422E-02 Vb(Abramov) -0.1675556E-02 Hb(Abramov) 0.9508654E-03 Ex_ueg -0.4058406E-03 Ec_ueg -0.8670794E-04 Delta_ex -0.5711985E-03 Delta_ec 0.2769764E-03 Delta_et -0.1433034E-02 Pxc 0.4680547E+01 Qxc -0.2062264E+01 3,+1 135 3 -1 0.434160 -1.711614 1.667971 Rho 0.4212042E-01 |GRAD(Rho)| 0.1469603E-12 GRAD(Rho)x -0.1734348E-13 GRAD(Rho)y 0.1342623E-12 GRAD(Rho)z -0.5718551E-13 Laplacian 0.1657085E+00 (-1/4)Del**2(Rho)) -0.4142713E-01 Diamond 0.6581600E-01 Metallicity 0.2120425E+01 Ellipticity 0.1477862E-01 Gb(Abramov) 0.4225860E-01 Vb(Abramov) -0.4309007E-01 Hb(Abramov) -0.8314740E-03 Ex_ueg -0.1082369E-01 Ec_ueg -0.1984188E-02 Delta_ex -0.1302813E-01 Delta_ec 0.4874182E-02 Delta_et -0.4910750E-01 Pxc 0.5454971E+01 Qxc -0.2672886E+01 3,-1 136 3 +1 0.295743 -1.495900 -1.683727 Rho 0.5617298E-02 |GRAD(Rho)| 0.6152209E-17 GRAD(Rho)x 0.2806802E-17 GRAD(Rho)y -0.1508777E-17 GRAD(Rho)z -0.5262616E-17 Laplacian 0.2272457E-01 (-1/4)Del**2(Rho)) -0.5681142E-02 Diamond 0.5818974E-03 Metallicity 0.5382657E+00 Ellipticity -0.2459793E+01 Gb(Abramov) 0.4297088E-02 Vb(Abramov) -0.2913035E-02 Hb(Abramov) 0.1384053E-02 Ex_ueg -0.7374882E-03 Ec_ueg -0.1735736E-03 Delta_ex -0.1125641E-02 Delta_ec 0.6618502E-03 Delta_et -0.3743535E-02 Pxc 0.4248849E+01 Qxc -0.1700748E+01 3,+1 137 3 +1 -0.226861 -2.245009 -1.080423 Rho 0.7281001E-02 |GRAD(Rho)| 0.1075689E-16 GRAD(Rho)x -0.5131326E-17 GRAD(Rho)y 0.9307198E-17 GRAD(Rho)z 0.1660185E-17 Laplacian 0.2931795E-01 (-1/4)Del**2(Rho)) -0.7329489E-02 Diamond 0.8831519E-03 Metallicity 0.6428820E+00 Ellipticity -0.1894572E+01 Gb(Abramov) 0.5671658E-02 Vb(Abramov) -0.4013828E-02 Hb(Abramov) 0.1657830E-02 Ex_ueg -0.1042253E-02 Ec_ueg -0.2463567E-03 Delta_ex -0.1429459E-02 Delta_ec 0.6713704E-03 Delta_et -0.4175572E-02 Pxc 0.4230666E+01 Qxc -0.2129166E+01 3,+1 138 3 +1 1.197207 -2.145468 1.085008 Rho 0.2611645E-01 |GRAD(Rho)| 0.4180411E-16 GRAD(Rho)x -0.2360207E-16 GRAD(Rho)y 0.3401749E-16 GRAD(Rho)z -0.5773764E-17 Laplacian 0.1053568E+00 (-1/4)Del**2(Rho)) -0.2633919E-01 Diamond 0.1571719E-01 Metallicity 0.1503630E+01 Ellipticity -0.5791421E+01 Gb(Abramov) 0.2416019E-01 Vb(Abramov) -0.2198120E-01 Hb(Abramov) 0.2178998E-02 Ex_ueg -0.5722739E-02 Ec_ueg -0.1145088E-02 Delta_ex -0.6740641E-02 Delta_ec 0.1986004E-02 Delta_et -0.1767880E-01 Pxc 0.4997639E+01 Qxc -0.3394072E+01 3,+1 139 3 -1 0.804282 -1.963650 2.991241 Rho 0.1414895E+00 |GRAD(Rho)| 0.1102075E-14 GRAD(Rho)x -0.6645888E-15 GRAD(Rho)y -0.7297765E-15 GRAD(Rho)z -0.4902220E-15 Laplacian 0.5655330E+00 (-1/4)Del**2(Rho)) -0.1413832E+00 Diamond 0.1072178E+01 Metallicity 0.4681255E+01 Ellipticity 0.3355674E-01 Gb(Abramov) 0.2045640E+00 Vb(Abramov) -0.2677448E+00 Hb(Abramov) -0.6318076E-01 Ex_ueg -0.5445245E-01 Ec_ueg -0.7900966E-02 Delta_ex -0.5991114E-01 Delta_ec 0.1462941E-01 Delta_et -0.1932682E+00 Pxc 0.6891872E+01 Qxc -0.4095252E+01 3,-1 140 3 +1 2.024623 1.969568 -2.012806 Rho 0.1239498E-01 |GRAD(Rho)| 0.1683223E-16 GRAD(Rho)x -0.1367870E-16 GRAD(Rho)y 0.7721236E-17 GRAD(Rho)z 0.6049743E-17 Laplacian 0.5892334E-01 (-1/4)Del**2(Rho)) -0.1473083E-01 Diamond 0.2118849E-02 Metallicity 0.7763707E+00 Ellipticity -0.1178921E+01 Gb(Abramov) 0.1172665E-01 Vb(Abramov) -0.8722475E-02 Hb(Abramov) 0.3004180E-02 Ex_ueg -0.2118587E-02 Ec_ueg -0.4778335E-03 Delta_ex -0.2824500E-02 Delta_ec 0.5921366E-03 Delta_et -0.4605664E-02 Pxc 0.4433736E+01 Qxc -0.4770014E+01 3,+1 141 3 -1 -3.280448 -3.133087 0.088226 Rho 0.2460219E+00 |GRAD(Rho)| 0.2702540E-15 GRAD(Rho)x -0.6624475E-16 GRAD(Rho)y -0.1986258E-15 GRAD(Rho)z 0.1708703E-15 Laplacian 0.9061495E+00 (-1/4)Del**2(Rho)) -0.2265374E+00 Diamond 0.3287437E+01 Metallicity 0.7345753E+01 Ellipticity 0.1736195E-02 Gb(Abramov) 0.4283729E+00 Vb(Abramov) -0.6302084E+00 Hb(Abramov) -0.2018355E+00 Ex_ueg -0.1138545E+00 Ec_ueg -0.1485639E-01 Delta_ex -0.1101191E+00 Delta_ec 0.1973779E-01 Delta_et -0.2730073E+00 Pxc 0.7663674E+01 Qxc -0.5579097E+01 3,-1 142 3 -1 -2.810318 -1.778741 0.593517 Rho 0.1384719E+00 |GRAD(Rho)| 0.2716576E-15 GRAD(Rho)x -0.1527844E-15 GRAD(Rho)y 0.9302455E-16 GRAD(Rho)z 0.2044534E-15 Laplacian 0.5822208E+00 (-1/4)Del**2(Rho)) -0.1455552E+00 Diamond 0.1073638E+01 Metallicity 0.4386600E+01 Ellipticity 0.1094985E-01 Gb(Abramov) 0.2034522E+00 Vb(Abramov) -0.2613492E+00 Hb(Abramov) -0.5789700E-01 Ex_ueg -0.5290951E-01 Ec_ueg -0.7709682E-02 Delta_ex -0.6133465E-01 Delta_ec 0.1510147E-01 Delta_et -0.1987736E+00 Pxc 0.6862736E+01 Qxc -0.4061502E+01 3,-1 143 3 +1 -2.201797 -1.150810 -1.274198 Rho 0.2792761E-01 |GRAD(Rho)| 0.1088844E-15 GRAD(Rho)x 0.1039036E-15 GRAD(Rho)y 0.1508703E-16 GRAD(Rho)z 0.2884830E-16 Laplacian 0.1154529E+00 (-1/4)Del**2(Rho)) -0.2886322E-01 Diamond 0.1873276E-01 Metallicity 0.1534374E+01 Ellipticity -0.5295088E+01 Gb(Abramov) 0.2662331E-01 Vb(Abramov) -0.2438340E-01 Hb(Abramov) 0.2239912E-02 Ex_ueg -0.6257920E-02 Ec_ueg -0.1237215E-02 Delta_ex -0.7504158E-02 Delta_ec 0.2150681E-02 Delta_et -0.1947234E-01 Pxc 0.5058071E+01 Qxc -0.3489200E+01 3,+1 144 3 -1 -2.098861 -0.902675 -3.228261 Rho 0.2353630E+00 |GRAD(Rho)| 0.3151695E-10 GRAD(Rho)x -0.1356769E-10 GRAD(Rho)y 0.2158066E-10 GRAD(Rho)z 0.1853405E-10 Laplacian 0.9035711E+00 (-1/4)Del**2(Rho)) -0.2258928E+00 Diamond 0.3079575E+01 Metallicity 0.6842497E+01 Ellipticity 0.1850086E-01 Gb(Abramov) 0.4082069E+00 Vb(Abramov) -0.5905211E+00 Hb(Abramov) -0.1823142E+00 Ex_ueg -0.1073255E+00 Ec_ueg -0.1411916E-01 Delta_ex -0.1083864E+00 Delta_ec 0.1966686E-01 Delta_et -0.2704636E+00 Pxc 0.7601404E+01 Qxc -0.5511119E+01 3,-1 145 3 -1 -1.732448 -0.558407 -1.749861 Rho 0.4696560E-01 |GRAD(Rho)| 0.8160589E-14 GRAD(Rho)x -0.6408329E-14 GRAD(Rho)y -0.4120973E-14 GRAD(Rho)z 0.2923375E-14 Laplacian 0.1879847E+00 (-1/4)Del**2(Rho)) -0.4699617E-01 Diamond 0.8924405E-01 Metallicity 0.2241079E+01 Ellipticity 0.1080111E-01 Gb(Abramov) 0.4888447E-01 Vb(Abramov) -0.5077277E-01 Hb(Abramov) -0.1888298E-02 Ex_ueg -0.1251483E-01 Ec_ueg -0.2247843E-02 Delta_ex -0.1531283E-01 Delta_ec 0.5748065E-02 Delta_et -0.5965822E-01 Pxc 0.5567484E+01 Qxc -0.2663997E+01 3,-1 146 3 -1 -2.783953 -0.547958 1.844040 Rho 0.1425724E+00 |GRAD(Rho)| 0.5682892E-13 GRAD(Rho)x 0.1503892E-13 GRAD(Rho)y -0.5462259E-13 GRAD(Rho)z 0.4441787E-14 Laplacian 0.5969717E+00 (-1/4)Del**2(Rho)) -0.1492429E+00 Diamond 0.1140235E+01 Metallicity 0.4491438E+01 Ellipticity 0.9340654E-02 Gb(Abramov) 0.2112145E+00 Vb(Abramov) -0.2731861E+00 Hb(Abramov) -0.6197159E-01 Ex_ueg -0.5500885E-01 Ec_ueg -0.7969752E-02 Delta_ex -0.6333844E-01 Delta_ec 0.1537668E-01 Delta_et -0.2032925E+00 Pxc 0.6902203E+01 Qxc -0.4119123E+01 3,-1 147 3 -1 -2.983932 -0.937882 -2.042312 Rho 0.1319337E+00 |GRAD(Rho)| 0.1390198E-15 GRAD(Rho)x -0.1209563E-16 GRAD(Rho)y 0.1370025E-15 GRAD(Rho)z 0.2026103E-16 Laplacian 0.5127496E+00 (-1/4)Del**2(Rho)) -0.1281874E+00 Diamond 0.9074427E+00 Metallicity 0.4595162E+01 Ellipticity 0.2470415E-01 Gb(Abramov) 0.1836319E+00 Vb(Abramov) -0.2390764E+00 Hb(Abramov) -0.5544450E-01 Ex_ueg -0.4960507E-01 Ec_ueg -0.7297247E-02 Delta_ex -0.5356764E-01 Delta_ec 0.1377822E-01 Delta_et -0.1805998E+00 Pxc 0.6797779E+01 Qxc -0.3887849E+01 3,-1 148 3 -1 -1.812225 -0.556593 2.829065 Rho 0.1469837E+00 |GRAD(Rho)| 0.3014522E-15 GRAD(Rho)x -0.1387779E-15 GRAD(Rho)y 0.2605202E-15 GRAD(Rho)z -0.6118288E-16 Laplacian 0.6198323E+00 (-1/4)Del**2(Rho)) -0.1549581E+00 Diamond 0.1226179E+01 Metallicity 0.4551147E+01 Ellipticity 0.1424098E-01 Gb(Abramov) 0.2208449E+00 Vb(Abramov) -0.2867317E+00 Hb(Abramov) -0.6588680E-01 Ex_ueg -0.5728979E-01 Ec_ueg -0.8250707E-02 Delta_ex -0.6623677E-01 Delta_ec 0.1581257E-01 Delta_et -0.2099101E+00 Pxc 0.6943622E+01 Qxc -0.4188868E+01 3,-1 149 3 +1 -1.790678 -1.726230 1.813705 Rho 0.1258941E-01 |GRAD(Rho)| 0.2782844E-16 GRAD(Rho)x -0.2062838E-16 GRAD(Rho)y 0.1856008E-16 GRAD(Rho)z -0.2101277E-17 Laplacian 0.6341304E-01 (-1/4)Del**2(Rho)) -0.1585326E-01 Diamond 0.2680004E-02 Metallicity 0.7403609E+00 Ellipticity -0.1250362E+01 Gb(Abramov) 0.1252503E-01 Vb(Abramov) -0.9196798E-02 Hb(Abramov) 0.3328231E-02 Ex_ueg -0.2163012E-02 Ec_ueg -0.4868461E-03 Delta_ex -0.3147634E-02 Delta_ec 0.8067722E-03 Delta_et -0.6132861E-02 Pxc 0.4442906E+01 Qxc -0.3901515E+01 3,+1 150 3 -1 0.278465 0.332360 -0.382578 Rho 0.1995826E+00 |GRAD(Rho)| 0.1578275E-13 GRAD(Rho)x -0.9475449E-14 GRAD(Rho)y -0.9301268E-14 GRAD(Rho)z 0.8532142E-14 Laplacian 0.6878491E+00 (-1/4)Del**2(Rho)) -0.1719623E+00 Diamond 0.2181869E+01 Metallicity 0.6828484E+01 Ellipticity 0.6095901E-02 Gb(Abramov) 0.3103484E+00 Vb(Abramov) -0.4487346E+00 Hb(Abramov) -0.1383862E+00 Ex_ueg -0.8614204E-01 Ec_ueg -0.1169008E-01 Delta_ex -0.8082555E-01 Delta_ec 0.1884685E-01 Delta_et -0.2681478E+00 Pxc 0.7368812E+01 Qxc -0.4288544E+01 3,-1 151 3 -1 0.815878 -2.970937 1.991591 Rho 0.1480560E+00 |GRAD(Rho)| 0.1853214E-15 GRAD(Rho)x 0.1782157E-15 GRAD(Rho)y 0.3058805E-16 GRAD(Rho)z 0.4058982E-16 Laplacian 0.5886315E+00 (-1/4)Del**2(Rho)) -0.1471579E+00 Diamond 0.1175962E+01 Metallicity 0.4850794E+01 Ellipticity 0.4453135E-01 Gb(Abramov) 0.2170773E+00 Vb(Abramov) -0.2869968E+00 Hb(Abramov) -0.6991946E-01 Ex_ueg -0.5784772E-01 Ec_ueg -0.8319184E-02 Delta_ex -0.6302794E-01 Delta_ec 0.1501309E-01 Delta_et -0.1995560E+00 Pxc 0.6953533E+01 Qxc -0.4198200E+01 3,-1 152 3 -1 1.143094 -2.307053 -2.014936 Rho 0.5071096E-01 |GRAD(Rho)| 0.4374069E-16 GRAD(Rho)x -0.4014137E-17 GRAD(Rho)y 0.7224329E-17 GRAD(Rho)z -0.4295281E-16 Laplacian 0.1303310E+00 (-1/4)Del**2(Rho)) -0.3258276E-01 Diamond 0.1070487E+00 Metallicity 0.3673402E+01 Ellipticity 0.1361791E-01 Gb(Abramov) 0.4167010E-01 Vb(Abramov) -0.5075744E-01 Hb(Abramov) -0.9087340E-02 Ex_ueg -0.1386290E-01 Ec_ueg -0.2454211E-02 Delta_ex -0.1244526E-01 Delta_ec 0.6880930E-02 Delta_et -0.7371532E-01 Pxc 0.5648619E+01 Qxc -0.1808659E+01 3,-1 153 3 -1 1.810306 2.799043 0.588247 Rho 0.1499604E+00 |GRAD(Rho)| 0.5567143E-15 GRAD(Rho)x -0.4305638E-15 GRAD(Rho)y 0.5905514E-16 GRAD(Rho)z 0.3479340E-15 Laplacian 0.6303606E+00 (-1/4)Del**2(Rho)) -0.1575901E+00 Diamond 0.1276081E+01 Metallicity 0.4627202E+01 Ellipticity 0.1535405E-01 Gb(Abramov) 0.2265937E+00 Vb(Abramov) -0.2955972E+00 Hb(Abramov) -0.6900351E-01 Ex_ueg -0.5884196E-01 Ec_ueg -0.8440979E-02 Delta_ex -0.6768102E-01 Delta_ec 0.1597803E-01 Delta_et -0.2126528E+00 Pxc 0.6970988E+01 Qxc -0.4235880E+01 3,-1 154 3 -1 1.982570 2.952915 -0.834050 Rho 0.1421524E+00 |GRAD(Rho)| 0.3368096E-15 GRAD(Rho)x -0.1656119E-15 GRAD(Rho)y 0.2691735E-15 GRAD(Rho)z -0.1164433E-15 Laplacian 0.5666126E+00 (-1/4)Del**2(Rho)) -0.1416532E+00 Diamond 0.1080735E+01 Metallicity 0.4708873E+01 Ellipticity 0.2883972E-01 Gb(Abramov) 0.2056066E+00 Vb(Abramov) -0.2695600E+00 Hb(Abramov) -0.6395341E-01 Ex_ueg -0.5479284E-01 Ec_ueg -0.7943060E-02 Delta_ex -0.6009888E-01 Delta_ec 0.1464949E-01 Delta_et -0.1936877E+00 Pxc 0.6898203E+01 Qxc -0.4102456E+01 3,-1 155 3 -1 1.815471 0.551889 2.762743 Rho 0.1211523E+00 |GRAD(Rho)| 0.2763648E-15 GRAD(Rho)x -0.1591812E-15 GRAD(Rho)y 0.2257851E-15 GRAD(Rho)z -0.7741881E-17 Laplacian 0.5038054E+00 (-1/4)Del**2(Rho)) -0.1259513E+00 Diamond 0.7817915E+00 Metallicity 0.4057292E+01 Ellipticity 0.9167717E-02 Gb(Abramov) 0.1691378E+00 Vb(Abramov) -0.2123242E+00 Hb(Abramov) -0.4318645E-01 Ex_ueg -0.4427519E-01 Ec_ueg -0.6623318E-02 Delta_ex -0.5126818E-01 Delta_ec 0.1326737E-01 Delta_et -0.1704914E+00 Pxc 0.6684745E+01 Qxc -0.3864230E+01 3,-1 156 3 -1 2.014550 0.806302 -2.981262 Rho 0.1385110E+00 |GRAD(Rho)| 0.1597320E-11 GRAD(Rho)x -0.9383852E-12 GRAD(Rho)y 0.1151034E-11 GRAD(Rho)z -0.5882049E-12 Laplacian 0.5478695E+00 (-1/4)Del**2(Rho)) -0.1369674E+00 Diamond 0.1002775E+01 Metallicity 0.4663834E+01 Ellipticity 0.4784156E-01 Gb(Abramov) 0.1977771E+00 Vb(Abramov) -0.2585868E+00 Hb(Abramov) -0.6080973E-01 Ex_ueg -0.5292945E-01 Ec_ueg -0.7712159E-02 Delta_ex -0.5763276E-01 Delta_ec 0.1405404E-01 Delta_et -0.1846767E+00 Pxc 0.6863117E+01 Qxc -0.4100796E+01 3,-1 157 3 -1 2.790834 0.564219 1.826183 Rho 0.1260930E+00 |GRAD(Rho)| 0.2110349E-15 GRAD(Rho)x 0.1140208E-15 GRAD(Rho)y 0.1627659E-16 GRAD(Rho)z -0.1768334E-15 Laplacian 0.5300561E+00 (-1/4)Del**2(Rho)) -0.1325140E+00 Diamond 0.8668092E+00 Metallicity 0.4122016E+01 Ellipticity 0.1347068E-01 Gb(Abramov) 0.1793802E+00 Vb(Abramov) -0.2262463E+00 Hb(Abramov) -0.4686614E-01 Ex_ueg -0.4669887E-01 Ec_ueg -0.6931182E-02 Delta_ex -0.5450755E-01 Delta_ec 0.1391215E-01 Delta_et -0.1801281E+00 Pxc 0.6737505E+01 Qxc -0.3917981E+01 3,-1 158 3 -1 -2.013390 -3.076780 -0.719016 Rho 0.1533962E+00 |GRAD(Rho)| 0.5809671E-15 GRAD(Rho)x 0.9616873E-16 GRAD(Rho)y 0.9175061E-17 GRAD(Rho)z 0.5728789E-15 Laplacian 0.5773555E+00 (-1/4)Del**2(Rho)) -0.1443389E+00 Diamond 0.1229882E+01 Metallicity 0.5246392E+01 Ellipticity 0.1170670E+00 Gb(Abramov) 0.2224356E+00 Vb(Abramov) -0.3005324E+00 Hb(Abramov) -0.7809675E-01 Ex_ueg -0.6064631E-01 Ec_ueg -0.8661271E-02 Delta_ex -0.6261576E-01 Delta_ec 0.1505036E-01 Delta_et -0.2021171E+00 Pxc 0.7002011E+01 Qxc -0.4160417E+01 3,-1 159 3 -1 -1.706660 0.489854 1.718334 Rho 0.4310075E-01 |GRAD(Rho)| 0.4599416E-16 GRAD(Rho)x 0.2209591E-16 GRAD(Rho)y 0.1472249E-16 GRAD(Rho)z 0.3755638E-16 Laplacian 0.1699217E+00 (-1/4)Del**2(Rho)) -0.4248043E-01 Diamond 0.6959105E-01 Metallicity 0.2148683E+01 Ellipticity 0.1242978E-01 Gb(Abramov) 0.4353312E-01 Vb(Abramov) -0.4458580E-01 Hb(Abramov) -0.1052685E-02 Ex_ueg -0.1116087E-01 Ec_ueg -0.2037217E-02 Delta_ex -0.1343404E-01 Delta_ec 0.4993249E-02 Delta_et -0.5061569E-01 Pxc 0.5478491E+01 Qxc -0.2690441E+01 3,-1 160 3 -1 -1.797504 0.489180 -2.830462 Rho 0.1318454E+00 |GRAD(Rho)| 0.9310156E-16 GRAD(Rho)x -0.2958517E-16 GRAD(Rho)y 0.2854162E-16 GRAD(Rho)z 0.8353439E-16 Laplacian 0.5514597E+00 (-1/4)Del**2(Rho)) -0.1378649E+00 Diamond 0.9733002E+00 Metallicity 0.4267837E+01 Ellipticity 0.1468115E-01 Gb(Abramov) 0.1899741E+00 Vb(Abramov) -0.2420833E+00 Hb(Abramov) -0.5210921E-01 Ex_ueg -0.4956082E-01 Ec_ueg -0.7291697E-02 Delta_ex -0.5758041E-01 Delta_ec 0.1478135E-01 Delta_et -0.1936539E+00 Pxc 0.6796884E+01 Qxc -0.3895476E+01 3,-1 161 3 -1 0.572745 2.804901 1.822325 Rho 0.1255411E+00 |GRAD(Rho)| 0.4188409E-15 GRAD(Rho)x -0.2882419E-15 GRAD(Rho)y -0.2986299E-16 GRAD(Rho)z 0.3024111E-15 Laplacian 0.5241726E+00 (-1/4)Del**2(Rho)) -0.1310432E+00 Diamond 0.8520168E+00 Metallicity 0.4137921E+01 Ellipticity 0.1045875E-01 Gb(Abramov) 0.1777365E+00 Vb(Abramov) -0.2244298E+00 Hb(Abramov) -0.4669333E-01 Ex_ueg -0.4642656E-01 Ec_ueg -0.6896712E-02 Delta_ex -0.5383733E-01 Delta_ec 0.1375710E-01 Delta_et -0.1779646E+00 Pxc 0.6731694E+01 Qxc -0.3913421E+01 3,-1 162 3 -1 -0.071683 3.138846 -3.167392 Rho 0.2454121E+00 |GRAD(Rho)| 0.7196545E-15 GRAD(Rho)x 0.1373413E-15 GRAD(Rho)y -0.5205255E-15 GRAD(Rho)z 0.4775911E-15 Laplacian 0.9002893E+00 (-1/4)Del**2(Rho)) -0.2250723E+00 Diamond 0.3258536E+01 Metallicity 0.7363049E+01 Ellipticity 0.1684226E-02 Gb(Abramov) 0.4262513E+00 Vb(Abramov) -0.6274303E+00 Hb(Abramov) -0.2011790E+00 Ex_ueg -0.1134784E+00 Ec_ueg -0.1481404E-01 Delta_ex -0.1093466E+00 Delta_ec 0.1964421E-01 Delta_et -0.2717852E+00 Pxc 0.7660190E+01 Qxc -0.5566353E+01 3,-1 163 3 -1 0.837703 2.926685 -1.964388 Rho 0.1398683E+00 |GRAD(Rho)| 0.5765504E-15 GRAD(Rho)x -0.4894224E-15 GRAD(Rho)y -0.3707294E-16 GRAD(Rho)z -0.3024924E-15 Laplacian 0.5611706E+00 (-1/4)Del**2(Rho)) -0.1402927E+00 Diamond 0.1049149E+01 Metallicity 0.4627899E+01 Ellipticity 0.3430569E-01 Gb(Abramov) 0.2017385E+00 Vb(Abramov) -0.2631843E+00 Hb(Abramov) -0.6144583E-01 Ex_ueg -0.5362215E-01 Ec_ueg -0.7798130E-02 Delta_ex -0.5928101E-01 Delta_ec 0.1455477E-01 Delta_et -0.1919425E+00 Pxc 0.6876284E+01 Qxc -0.4072960E+01 3,-1 164 3 -1 0.069468 3.200558 3.211083 Rho 0.2341112E+00 |GRAD(Rho)| 0.4511872E-15 GRAD(Rho)x -0.5682575E-16 GRAD(Rho)y -0.3590878E-15 GRAD(Rho)z -0.2672016E-15 Laplacian 0.8330435E+00 (-1/4)Del**2(Rho)) -0.2082609E+00 Diamond 0.2878370E+01 Metallicity 0.7356125E+01 Ellipticity 0.5811230E-02 Gb(Abramov) 0.3941728E+00 Vb(Abramov) -0.5800847E+00 Hb(Abramov) -0.1859119E+00 Ex_ueg -0.1065650E+00 Ec_ueg -0.1403299E-01 Delta_ex -0.1001026E+00 Delta_ec 0.1872371E-01 Delta_et -0.2599105E+00 Pxc 0.7593894E+01 Qxc -0.5346303E+01 3,-1 165 3 -1 1.662998 -0.540857 1.671302 Rho 0.3071591E-01 |GRAD(Rho)| 0.5827835E-15 GRAD(Rho)x 0.4025926E-15 GRAD(Rho)y 0.1871670E-15 GRAD(Rho)z 0.3775240E-15 Laplacian 0.1245979E+00 (-1/4)Del**2(Rho)) -0.3114948E-01 Diamond 0.3284303E-01 Metallicity 0.1666127E+01 Ellipticity 0.4681274E-01 Gb(Abramov) 0.2941615E-01 Vb(Abramov) -0.2768282E-01 Hb(Abramov) 0.1733330E-02 Ex_ueg -0.7104544E-02 Ec_ueg -0.1380593E-02 Delta_ex -0.9114880E-02 Delta_ec 0.3764961E-02 Delta_et -0.3480555E-01 Pxc 0.5146007E+01 Qxc -0.2420976E+01 3,-1 166 3 -1 1.942340 -0.634873 -2.830927 Rho 0.1480568E+00 |GRAD(Rho)| 0.2877909E-14 GRAD(Rho)x -0.5204035E-15 GRAD(Rho)y -0.2169272E-14 GRAD(Rho)z -0.1818187E-14 Laplacian 0.5600555E+00 (-1/4)Del**2(Rho)) -0.1400139E+00 Diamond 0.1126637E+01 Metallicity 0.5098349E+01 Ellipticity 0.1159249E+00 Gb(Abramov) 0.2123159E+00 Vb(Abramov) -0.2846178E+00 Hb(Abramov) -0.7230198E-01 Ex_ueg -0.5784818E-01 Ec_ueg -0.8319240E-02 Delta_ex -0.6004686E-01 Delta_ec 0.1442459E-01 Delta_et -0.1920507E+00 Pxc 0.6953541E+01 Qxc -0.4162812E+01 3,-1 167 3 -1 3.107870 -3.238988 -0.121644 Rho 0.2408155E+00 |GRAD(Rho)| 0.6571204E-12 GRAD(Rho)x -0.4721954E-12 GRAD(Rho)y 0.4492142E-12 GRAD(Rho)z 0.8393588E-13 Laplacian 0.8783873E+00 (-1/4)Del**2(Rho)) -0.2195968E+00 Diamond 0.3116102E+01 Metallicity 0.7312533E+01 Ellipticity 0.9501798E-02 Gb(Abramov) 0.4140327E+00 Vb(Abramov) -0.6084687E+00 Hb(Abramov) -0.1944359E+00 Ex_ueg -0.1106533E+00 Ec_ueg -0.1449551E-01 Delta_ex -0.1062041E+00 Delta_ec 0.1935439E-01 Delta_et -0.2679878E+00 Pxc 0.7633627E+01 Qxc -0.5487338E+01 3,-1 168 3 -1 -2.765476 0.492634 -1.840394 Rho 0.7633310E-01 |GRAD(Rho)| 0.2181435E-15 GRAD(Rho)x -0.8407141E-16 GRAD(Rho)y 0.1382392E-15 GRAD(Rho)z 0.1463165E-15 Laplacian 0.3207901E+00 (-1/4)Del**2(Rho)) -0.8019753E-01 Diamond 0.2880453E+00 Metallicity 0.2950623E+01 Ellipticity 0.9407912E-02 Gb(Abramov) 0.9290380E-01 Vb(Abramov) -0.1056101E+00 Hb(Abramov) -0.1270627E-01 Ex_ueg -0.2391492E-01 Ec_ueg -0.3915328E-02 Delta_ex -0.2939623E-01 Delta_ec 0.9482937E-02 Delta_et -0.1111911E+00 Pxc 0.6108025E+01 Qxc -0.3099908E+01 3,-1 169 3 -1 -0.593316 -1.795095 2.813049 Rho 0.1377564E+00 |GRAD(Rho)| 0.1429728E-12 GRAD(Rho)x 0.9042760E-13 GRAD(Rho)y -0.1068767E-12 GRAD(Rho)z -0.2900779E-13 Laplacian 0.5751769E+00 (-1/4)Del**2(Rho)) -0.1437942E+00 Diamond 0.1057660E+01 Metallicity 0.4402149E+01 Ellipticity 0.9589124E-02 Gb(Abramov) 0.2013634E+00 Vb(Abramov) -0.2589327E+00 Hb(Abramov) -0.5756921E-01 Ex_ueg -0.5254534E-01 Ec_ueg -0.7664417E-02 Delta_ex -0.6055647E-01 Delta_ec 0.1500907E-01 Delta_et -0.1975457E+00 Pxc 0.6855752E+01 Qxc -0.4034658E+01 3,-1 170 3 -1 2.787074 1.818385 0.601212 Rho 0.1508560E+00 |GRAD(Rho)| 0.2969195E-12 GRAD(Rho)x -0.4707299E-13 GRAD(Rho)y 0.2193639E-12 GRAD(Rho)z -0.1944860E-12 Laplacian 0.6345484E+00 (-1/4)Del**2(Rho)) -0.1586371E+00 Diamond 0.1296672E+01 Metallicity 0.4642507E+01 Ellipticity 0.1262197E-01 Gb(Abramov) 0.2285037E+00 Vb(Abramov) -0.2983703E+00 Hb(Abramov) -0.6986661E-01 Ex_ueg -0.5931097E-01 Ec_ueg -0.8498331E-02 Delta_ex -0.6825913E-01 Delta_ec 0.1611145E-01 Delta_et -0.2147241E+00 Pxc 0.6979132E+01 Qxc -0.4236684E+01 3,-1 171 3 -1 2.975285 1.968980 -0.806124 Rho 0.1464376E+00 |GRAD(Rho)| 0.1954450E-15 GRAD(Rho)x 0.1075529E-15 GRAD(Rho)y -0.6755935E-16 GRAD(Rho)z -0.1485493E-15 Laplacian 0.5838388E+00 (-1/4)Del**2(Rho)) -0.1459597E+00 Diamond 0.1154570E+01 Metallicity 0.4801843E+01 Ellipticity 0.2821354E-01 Gb(Abramov) 0.2141191E+00 Vb(Abramov) -0.2822784E+00 Hb(Abramov) -0.6815936E-01 Ex_ueg -0.5700618E-01 Ec_ueg -0.8215861E-02 Delta_ex -0.6238236E-01 Delta_ec 0.1499520E-01 Delta_et -0.1991477E+00 Pxc 0.6938552E+01 Qxc -0.4160156E+01 3,-1 172 3 -1 3.196753 3.200167 0.076422 Rho 0.2461174E+00 |GRAD(Rho)| 0.5535072E-15 GRAD(Rho)x 0.8586881E-16 GRAD(Rho)y 0.5075150E-15 GRAD(Rho)z 0.2035319E-15 Laplacian 0.8844149E+00 (-1/4)Del**2(Rho)) -0.2211037E+00 Diamond 0.3230161E+01 Metallicity 0.7531144E+01 Ellipticity 0.1566383E-02 Gb(Abramov) 0.4249298E+00 Vb(Abramov) -0.6287559E+00 Hb(Abramov) -0.2038261E+00 Ex_ueg -0.1139134E+00 Ec_ueg -0.1486302E-01 Delta_ex -0.1075920E+00 Delta_ec 0.1944662E-01 Delta_et -0.2698292E+00 Pxc 0.7664218E+01 Qxc -0.5532687E+01 3,-1 173 3 -1 -1.866480 -2.755042 0.612898 Rho 0.1280852E+00 |GRAD(Rho)| 0.4951134E-15 GRAD(Rho)x -0.9946200E-16 GRAD(Rho)y 0.1676956E-15 GRAD(Rho)z -0.4551074E-15 Laplacian 0.5349932E+00 (-1/4)Del**2(Rho)) -0.1337483E+00 Diamond 0.9046976E+00 Metallicity 0.4192084E+01 Ellipticity 0.2247895E-01 Gb(Abramov) 0.1826129E+00 Vb(Abramov) -0.2314775E+00 Hb(Abramov) -0.4886458E-01 Ex_ueg -0.4768522E-01 Ec_ueg -0.7055788E-02 Delta_ex -0.5538531E-01 Delta_ec 0.1427866E-01 Delta_et -0.1858809E+00 Pxc 0.6758312E+01 Qxc -0.3878886E+01 3,-1 174 3 -1 -0.434864 0.334005 0.356800 Rho 0.1966201E+00 |GRAD(Rho)| 0.6240567E-13 GRAD(Rho)x 0.2841324E-13 GRAD(Rho)y -0.3866360E-13 GRAD(Rho)z -0.3990341E-13 Laplacian 0.6641015E+00 (-1/4)Del**2(Rho)) -0.1660254E+00 Diamond 0.2068022E+01 Metallicity 0.6898561E+01 Ellipticity 0.2303842E-02 Gb(Abramov) 0.3015730E+00 Vb(Abramov) -0.4371206E+00 Hb(Abramov) -0.1355476E+00 Ex_ueg -0.8444143E-01 Ec_ueg -0.1149215E-01 Delta_ex -0.7773968E-01 Delta_ec 0.1825258E-01 Delta_et -0.2591481E+00 Pxc 0.7347748E+01 Qxc -0.4259107E+01 3,-1 175 3 -1 1.156643 -1.792106 -2.575518 Rho 0.3026368E+00 |GRAD(Rho)| 0.2433739E-15 GRAD(Rho)x -0.8589359E-16 GRAD(Rho)y -0.8237290E-16 GRAD(Rho)z 0.2122919E-15 Laplacian -0.1491639E+01 (-1/4)Del**2(Rho)) 0.3729098E+00 Diamond 0.5052751E+01 Metallicity -0.6302103E+01 Ellipticity 0.4070886E-02 Gb(Abramov) 0.1430795E+00 Vb(Abramov) -0.6590687E+00 Hb(Abramov) -0.5159893E+00 Ex_ueg -0.1500654E+00 Ec_ueg -0.1887656E-01 Delta_ex 0.1446228E+00 Delta_ec 0.5328987E-01 Delta_et -0.1231920E+01 Pxc 0.7949828E+01 Qxc 0.2713889E+01 3,-1 176 3 -1 1.912137 -2.992854 0.805260 Rho 0.1322025E+00 |GRAD(Rho)| 0.6482525E-12 GRAD(Rho)x -0.3206058E-12 GRAD(Rho)y -0.2459015E-12 GRAD(Rho)z 0.5069277E-12 Laplacian 0.5212957E+00 (-1/4)Del**2(Rho)) -0.1303239E+00 Diamond 0.9179799E+00 Metallicity 0.4535187E+01 Ellipticity 0.2202755E-01 Gb(Abramov) 0.1853898E+00 Vb(Abramov) -0.2404557E+00 Hb(Abramov) -0.5506592E-01 Ex_ueg -0.4973987E-01 Ec_ueg -0.7314148E-02 Delta_ex -0.5440639E-01 Delta_ec 0.1385701E-01 Delta_et -0.1814254E+00 Pxc 0.6800501E+01 Qxc -0.3926271E+01 3,-1 177 3 -1 1.743047 -2.843344 -0.650289 Rho 0.2042471E+00 |GRAD(Rho)| 0.5767595E-15 GRAD(Rho)x 0.4297235E-15 GRAD(Rho)y 0.2096440E-15 GRAD(Rho)z 0.3225501E-15 Laplacian 0.7955938E+00 (-1/4)Del**2(Rho)) -0.1988985E+00 Diamond 0.2304907E+01 Metallicity 0.6135474E+01 Ellipticity 0.5797733E-02 Gb(Abramov) 0.3359883E+00 Vb(Abramov) -0.4730782E+00 Hb(Abramov) -0.1370899E+00 Ex_ueg -0.8883677E-01 Ec_ueg -0.1200273E-01 Delta_ex -0.9211123E-01 Delta_ec 0.1825663E-01 Delta_et -0.2501338E+00 Pxc 0.7401379E+01 Qxc -0.5045358E+01 3,-1 178 3 -1 -0.623544 -2.766720 1.848314 Rho 0.1552986E+00 |GRAD(Rho)| 0.1369132E-13 GRAD(Rho)x 0.9777715E-14 GRAD(Rho)y 0.1763245E-14 GRAD(Rho)z 0.9420172E-14 Laplacian 0.6570155E+00 (-1/4)Del**2(Rho)) -0.1642539E+00 Diamond 0.1385233E+01 Metallicity 0.4705982E+01 Ellipticity 0.2331598E-01 Gb(Abramov) 0.2383319E+00 Vb(Abramov) -0.3124099E+00 Hb(Abramov) -0.7407801E-01 Ex_ueg -0.6165126E-01 Ec_ueg -0.8783562E-02 Delta_ex -0.7113580E-01 Delta_ec 0.1647696E-01 Delta_et -0.2202603E+00 Pxc 0.7018936E+01 Qxc -0.4317290E+01 3,-1 179 3 -1 -0.787409 -3.421490 -1.293228 Rho 0.3130109E+00 |GRAD(Rho)| 0.4662851E-15 GRAD(Rho)x 0.1153731E-15 GRAD(Rho)y 0.4482744E-15 GRAD(Rho)z -0.5622208E-16 Laplacian -0.1619667E+01 (-1/4)Del**2(Rho)) 0.4049168E+00 Diamond 0.5513254E+01 Metallicity -0.6139314E+01 Ellipticity 0.2062499E-02 Gb(Abramov) 0.1443740E+00 Vb(Abramov) -0.6936648E+00 Hb(Abramov) -0.5492908E+00 Ex_ueg -0.1569631E+00 Ec_ueg -0.1963240E-01 Delta_ex 0.1598941E+00 Delta_ec 0.5651663E-01 Delta_et -0.1329423E+01 Pxc 0.7995107E+01 Qxc 0.2829151E+01 3,-1 180 3 -1 -0.476751 -0.383411 -0.384427 Rho 0.2063267E+00 |GRAD(Rho)| 0.3681450E-13 GRAD(Rho)x 0.2085517E-13 GRAD(Rho)y 0.2146572E-13 GRAD(Rho)z 0.2143810E-13 Laplacian 0.7588314E+00 (-1/4)Del**2(Rho)) -0.1897079E+00 Diamond 0.2465070E+01 Metallicity 0.6542249E+01 Ellipticity 0.3322915E-01 Gb(Abramov) 0.3333246E+00 Vb(Abramov) -0.4769413E+00 Hb(Abramov) -0.1436167E+00 Ex_ueg -0.9004489E-01 Ec_ueg -0.1214252E-01 Delta_ex -0.8964489E-01 Delta_ec 0.2015113E-01 Delta_et -0.2864850E+00 Pxc 0.7415668E+01 Qxc -0.4448627E+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 77 135 169 178 139 151 120 126 180 150 174 90 85 83 95 163 162 76 94 161 77 82 164 100 128 177 129 176 167 127 170 153 171 154 172 62 116 66 68 69 132 113 142 173 58 158 141 145 168 160 147 144 59 159 146 148 115 74 60 165 157 155 109 105 112 133 107 166 131 156 111 122 119 121 175 152 86 179 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 21 21 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 36 52 52 53 53 2.442385 1.946771 1.898428 1.945264 1.927719 1.735023 1.565391 1.548116 1.564150 1.570970 2.398603 1.898570 1.918226 1.972455 1.949721 1.735112 2.494068 1.919687 1.959302 1.962082 1.909798 1.726367 2.457575 1.929367 1.804123 2.087355 1.972637 1.742468 2.532779 1.910291 1.913105 1.932056 1.943810 1.734296 2.436866 1.821048 1.952385 1.959723 2.018783 1.740644 2.396270 1.943697 1.975410 1.908744 1.921771 1.733863 2.386539 2.184625 1.960678 1.973246 1.750285 1.749042 2.433407 1.933548 1.920334 1.936287 1.934302 1.735020 2.557536 1.956454 1.975527 1.866309 1.944815 1.725993 2.564814 1.954410 1.910576 1.962959 1.929990 1.725608 3.266281 3.097532 3.170716 1.011671 1.654931 1.761622 1.002203 2.443514 1.947170 1.898884 1.945857 1.928311 1.735026 1.565423 1.548228 1.564200 1.570984 2.399915 1.898984 1.918671 1.973074 1.950317 1.735114 2.495115 1.920323 1.959821 1.962812 1.910536 1.726380 2.458621 1.929808 1.804237 2.087897 1.973237 1.742486 2.533818 1.910747 1.913592 1.932625 1.944426 1.734297 2.437868 1.821403 1.952746 1.960303 2.019356 1.740657 2.397875 1.944148 1.975828 1.909389 1.923133 1.733869 2.388153 2.184987 1.961087 1.973854 1.750300 1.749063 2.434514 1.934013 1.920759 1.936927 1.934907 1.735022 2.558494 1.957023 1.976199 1.866942 1.945548 1.726006 2.565718 1.955069 1.912044 1.963780 1.930728 1.725618 3.333243 3.099738 3.174076 1.011774 1.659177 1.762713 1.002329 28 25 23 23 23 22 24 21 21 21 27 25 23 26 23 20 29 26 23 23 23 23 29 25 22 25 23 23 34 25 25 23 24 20 27 24 24 24 26 23 27 23 23 23 25 20 27 25 25 23 23 22 27 25 23 25 26 20 29 23 23 23 25 22 29 23 26 25 23 21 37 33 35 18 23 24 20 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 P W Mo W W W W W W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.4740 2.3345 2.4827 2.3417 2.4172 2.4719 2.4591 2.4778 2.3915 2.4695 2.3283 2.3292 -1.0459 -0.9929 -1.0424 -1.0530 -0.9568 -0.9420 -0.9221 -0.9274 -0.7305 -0.9044 -0.9703 -0.9546 -0.9591 -0.9594 -0.9276 -0.8984 -0.9049 -0.9828 -0.9311 -0.9676 -0.9311 -0.9278 -0.9299 -0.7796 -0.7796 -0.9232 -0.9741 -0.9650 -0.7783 -0.7056 -0.7754 -0.7090 -0.7987 -0.7777 -0.7955 -0.7731 -0.8134 -0.7785 -0.7085 0.2969 0.3228 2.0895 2.5082 2.0914 1.9565 2.1116 2.0854 2.0941 2.1102 2.1258 2.0905 1.9607 1.9637 1.8951 1.8980 1.8948 1.8932 1.9328 1.9357 1.9433 1.9370 1.8823 1.9402 1.9320 1.9332 1.9330 1.9321 1.9371 1.9577 1.9508 1.9419 1.9443 1.9443 1.9446 1.9465 1.9448 1.9621 1.8784 1.9472 1.9435 1.9441 1.9682 1.9783 1.9684 1.9781 1.9644 1.9685 1.9654 1.9682 1.9608 1.9681 1.9786 0.5365 0.5264 6.0965 7.3298 6.0940 6.0683 6.1062 6.0940 6.0956 6.0981 6.0980 6.0979 6.0728 6.0790 5.1115 5.0555 5.1086 5.1200 4.9943 4.9779 4.9483 4.9619 4.8179 4.9392 5.0080 4.9910 4.9956 4.9964 4.9621 4.9072 4.9253 5.0080 4.9571 4.9909 4.9563 4.9521 4.9548 4.7834 4.8702 4.9476 4.9987 4.9887 4.7738 4.6933 4.7706 4.6969 4.7993 4.7728 4.7948 4.7687 4.8187 4.7742 4.6958 0.1666 0.1508 3.3104 0.8275 3.3023 3.6334 3.3362 3.3193 3.3219 3.2846 3.3563 3.3126 3.6382 3.6282 0.0393 0.0394 0.0391 0.0399 0.0297 0.0284 0.0305 0.0286 0.0303 0.0250 0.0303 0.0304 0.0305 0.0309 0.0284 0.0334 0.0288 0.0328 0.0297 0.0324 0.0302 0.0293 0.0303 0.0341 0.0310 0.0283 0.0319 0.0322 0.0363 0.0340 0.0363 0.0339 0.0350 0.0364 0.0353 0.0363 0.0339 0.0362 0.0340 0.0000 0.0000 14.0296 0.0000 14.0296 0.0000 14.0287 14.0294 14.0293 14.0292 14.0284 14.0295 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 P W Mo W W W W W W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.519520 2.005467 2.523955 3.181078 2.491000 2.514549 2.503187 2.536645 2.494817 2.518008 3.178688 3.176205 -1.058676 -0.981705 -1.057663 -1.069088 -0.954308 -1.068933 -0.938123 -1.062716 -0.731732 -1.183205 -0.952218 -0.953853 -0.957115 -0.952178 -1.063172 -0.750417 -1.066974 -0.942665 -1.050962 -0.941568 -1.055666 -1.051125 -1.050070 -0.825938 -0.602572 -1.065147 -0.944479 -0.938927 -0.808351 -0.979065 -0.805408 -0.978194 -0.836675 -0.807001 -0.830439 -0.802095 -0.853720 -0.808776 -0.977371 0.049320 0.065847 1.943146 1.566541 1.950883 2.372603 1.924958 1.955116 1.938363 1.960105 1.941112 1.943693 2.372282 2.341400 -0.795081 -0.715530 -0.795768 -0.801049 -0.708938 -0.823495 -0.730583 -0.814794 -0.811497 -0.920325 -0.703646 -0.716887 -0.718498 -0.711781 -0.815435 -0.628695 -0.862747 -0.759195 -0.841936 -0.768406 -0.847830 -0.834382 -0.851405 -0.723042 -0.762656 -0.868933 -0.766317 -0.758968 -0.702659 -0.738264 -0.699198 -0.750617 -0.728594 -0.695028 -0.723650 -0.690410 -0.760474 -0.702681 -0.747816 0.292293 0.294715 2.045996 1.531394 2.052626 2.461998 2.019048 2.058868 2.036162 2.068661 2.026141 2.046906 2.461786 2.453530 -0.835063 -0.785485 -0.837691 -0.846380 -0.794886 -0.905699 -0.790951 -0.891849 -0.871544 -0.997900 -0.793676 -0.785063 -0.790163 -0.815015 -0.891350 -0.742251 -0.890608 -0.793569 -0.889859 -0.814535 -0.885460 -0.887815 -0.885800 -0.708096 -0.779514 -0.904704 -0.820789 -0.802932 -0.664121 -0.719329 -0.662377 -0.712975 -0.694825 -0.657550 -0.687982 -0.672711 -0.745734 -0.665292 -0.711149 0.394223 0.375352 4.48338675 -0.61923137 1.31574446 4.71332024 -13.56401170 3.66508697 -9.55237527 8.11982798 11.97714425 5.44418372 -377.8465 402.9074 -65.7927 -384.5260 -29.5407 -454.7985 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 0 Apr11-2024 11:32:17 Nodes: 1 Procs: 1 Apr11-2024 11:32:18 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr11-2024 11:32:19 Nodes: 1 Procs: 1 Apr11-2024 11:32:19 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr11-2024 11:32:20 Nodes: 1 Procs: 1 Apr11-2024 11:32:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr11-2024 11:32:21 Nodes: 1 Procs: 1 Apr11-2024 11:32:22 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr11-2024 11:32:23 Nodes: 1 Procs: 24 *** (NO TITLE) *** -5 -16.04619205 -16.50100666 -16.20384888 -16.50720339 -16.64264896 -16.67264330 -16.68815286 -16.68923104 -16.69477231 -16.69823331 -16.70203888 -16.70133809 -16.70545274 -16.71040434 -16.71103902 -16.71268763 -16.71298882 -16.71320051 -16.71329754 -16.71337085 -16.71343704 -16.71346721 -16.71349677 -16.71351435 -16.71352656 -16.71353654 GEOMETRY CONVERGED