ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 18:44:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 0.40 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 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 18:44:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 0.66 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 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 0 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 Apr16-2024 18:44:44 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 18:44:45 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.78 0.02 0.84 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 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 0 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 Apr16-2024 18:44:44 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr16-2024 18:44:45 Nodes: 1 Procs: 1 Apr16-2024 18:44:45 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 18:44:46 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 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 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 0 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 Apr16-2024 18:44:44 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr16-2024 18:44:45 Nodes: 1 Procs: 1 Apr16-2024 18:44:45 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr16-2024 18:44:46 Nodes: 1 Procs: 1 Apr16-2024 18:44:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 18:44:47 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) 1.33 0.04 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 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 0 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 Apr16-2024 18:44:44 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr16-2024 18:44:45 Nodes: 1 Procs: 1 Apr16-2024 18:44:45 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr16-2024 18:44:46 Nodes: 1 Procs: 1 Apr16-2024 18:44:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr16-2024 18:44:47 Nodes: 1 Procs: 1 Apr16-2024 18:44:48 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr16-2024 18:44:50 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2613.3297610000045 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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 Apr16-2024 18:44:48 1 1 Tungsten TZP 4d t21.Mo ADF 2019 Apr16-2024 18:44:45 1 1 Molybdenum TZP 3d t21.O ADF 2019 Apr16-2024 18:44:46 1 1 Oxygen TZP 1s t21.P ADF 2019 Apr16-2024 18:44:44 1 1 Phosphorus TZP 1s t21.H ADF 2019 Apr16-2024 18:44:43 1 1 Hydrogen TZP 1 1 -16.14691874 0.23449042 0.00100000 F 0.10971743 0.00066667 F 0.23449042 0.10971743 0.13910353 0.01000000 F 0.05205331 0.00666667 F Cartesian 2613.3297610000045 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3.749160 0.191081 -3.783638 3.796896 -0.200044 -3.753470 -3.745500 0.193751 -3.733227 0.197163 -3.740037 -3.764460 -0.179084 3.752088 3.751246 0.188077 3.740579 3.758284 -0.196875 -3.745819 -0.012739 0.008372 -0.021270 -4.201584 3.973797 -1.070754 1 3 -3 0.096076 -2.546427 2.543644 Rho 0.4361414E+07 3,-3 2 3 -3 0.124267 2.532628 -2.569913 Rho 0.4361414E+07 3,-3 3 3 -3 -0.083406 2.543867 2.563325 Rho 0.4361414E+07 3,-3 4 3 -3 2.541948 2.550567 -0.097747 Rho 0.4361414E+07 3,-3 5 3 -3 -2.497419 2.497655 0.093813 Rho 0.4361413E+07 3,-3 6 3 -3 -2.516238 -0.140055 -2.572483 Rho 0.4361414E+07 3,-3 7 3 -3 -2.554269 0.085022 2.561132 Rho 0.4361414E+07 3,-3 8 3 -3 2.549598 -0.095924 2.544299 Rho 0.4361414E+07 3,-3 9 3 -3 2.557952 0.087059 -2.548008 Rho 0.4361414E+07 3,-3 10 3 -3 -0.070977 -2.579679 -2.548617 Rho 0.1240648E+06 3,-3 11 3 -3 2.572103 -2.566857 0.097115 Rho 0.1240648E+06 3,-3 12 3 -3 -2.560682 -2.555344 -0.091705 Rho 0.1240648E+06 3,-3 13 3 -3 0.861740 -0.865273 0.912841 Rho 0.3187857E+03 3,-3 14 3 -3 -0.904585 -0.884110 -0.918598 Rho 0.3187867E+03 3,-3 15 3 -3 0.899439 0.905175 -0.908723 Rho 0.3187754E+03 3,-3 16 3 -3 -0.929366 0.934991 0.853637 Rho 0.3187704E+03 3,-3 17 3 -3 -3.029756 -1.161818 1.180376 Rho 0.3189500E+03 3,-3 18 3 -3 3.022102 -1.182124 -1.183713 Rho 0.3189523E+03 3,-3 19 3 -3 -2.983680 1.167883 -1.131431 Rho 0.3189437E+03 3,-3 20 3 -3 3.008148 1.173820 1.170365 Rho 0.3188756E+03 3,-3 21 3 -3 1.175611 -1.170738 -3.022870 Rho 0.3189556E+03 3,-3 22 3 -3 1.171563 1.183339 3.035007 Rho 0.3188781E+03 3,-3 23 3 -3 -1.165018 1.171177 -3.002633 Rho 0.3188724E+03 3,-3 24 3 -3 -1.184685 -1.171355 3.027775 Rho 0.3188818E+03 3,-3 25 3 -3 -1.158789 2.998415 -1.138627 Rho 0.3189237E+03 3,-3 26 3 -3 -1.174440 -3.016208 1.174179 Rho 0.3189513E+03 3,-3 27 3 -3 1.158333 3.019449 1.168742 Rho 0.3188762E+03 3,-3 28 3 -3 1.186172 -3.041323 -1.180438 Rho 0.3190274E+03 3,-3 29 3 -3 3.380192 -1.491083 1.496527 Rho 0.3190459E+03 3,-3 30 3 -3 -3.386980 -1.484340 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3.796896 -0.200044 Rho 0.3186861E+03 3,-3 48 3 -3 -3.753470 -3.745500 0.193751 Rho 0.3195798E+03 3,-3 49 3 -3 -3.733227 0.197163 -3.740037 Rho 0.3194368E+03 3,-3 50 3 -3 -3.764460 -0.179084 3.752088 Rho 0.3194365E+03 3,-3 51 3 -3 3.751246 0.188077 3.740579 Rho 0.3194315E+03 3,-3 52 3 -3 3.758284 -0.196875 -3.745819 Rho 0.3194302E+03 3,-3 53 3 -3 -0.012739 0.008372 -0.021270 Rho 0.2439504E+04 3,-3 54 3 -3 -4.201584 3.973797 -1.070754 Rho 0.4420669E+00 3,-3 55 3 +3 2.356044 -0.024092 0.005662 Rho 0.4230772E-02 |GRAD(Rho)| 0.6389177E-12 GRAD(Rho)x -0.8207551E-13 GRAD(Rho)y 0.7820602E-13 GRAD(Rho)z 0.6287792E-12 Laplacian 0.1744892E-01 (-1/4)Del**2(Rho)) -0.4362230E-02 Diamond 0.1494318E-03 Metallicity 0.4370630E+00 Ellipticity -0.2860554E+00 Gb(Abramov) 0.3225915E-02 Vb(Abramov) -0.2089600E-02 Hb(Abramov) 0.1136315E-02 Ex_ueg -0.5053721E-03 Ec_ueg -0.1139615E-03 Delta_ex -0.6365534E-03 Delta_ec 0.1855501E-03 Delta_et -0.1107637E-02 Pxc 0.4434587E+01 Qxc -0.3430628E+01 3,+3 56 3 -1 -1.824117 -2.780234 0.576321 Rho 0.1335499E+00 |GRAD(Rho)| 0.6182548E-12 GRAD(Rho)x 0.4467941E-12 GRAD(Rho)y -0.1362529E-12 GRAD(Rho)z 0.4050299E-12 Laplacian 0.5642675E+00 (-1/4)Del**2(Rho)) -0.1410669E+00 Diamond 0.9845576E+00 Metallicity 0.4261221E+01 Ellipticity 0.1077673E-01 Gb(Abramov) 0.1942308E+00 Vb(Abramov) -0.2473947E+00 Hb(Abramov) -0.5316390E-01 Ex_ueg -0.5041694E-01 Ec_ueg -0.7398940E-02 Delta_ex -0.5878792E-01 Delta_ec 0.1452131E-01 Delta_et -0.1895917E+00 Pxc 0.6814076E+01 Qxc -0.4048389E+01 3,-1 57 3 -1 -2.974936 -1.977217 -0.834979 Rho 0.1305056E+00 |GRAD(Rho)| 0.1857600E-15 GRAD(Rho)x -0.7684283E-17 GRAD(Rho)y 0.1679497E-15 GRAD(Rho)z -0.7899768E-16 Laplacian 0.5173732E+00 (-1/4)Del**2(Rho)) -0.1293433E+00 Diamond 0.8819491E+00 Metallicity 0.4472232E+01 Ellipticity 0.3720510E-01 Gb(Abramov) 0.1826378E+00 Vb(Abramov) -0.2359322E+00 Hb(Abramov) -0.5329445E-01 Ex_ueg -0.4889043E-01 Ec_ueg -0.7207530E-02 Delta_ex -0.5364845E-01 Delta_ec 0.1347194E-01 Delta_et -0.1754139E+00 Pxc 0.6783243E+01 Qxc -0.3982237E+01 3,-1 58 3 +1 -1.703747 -0.535180 0.523895 Rho 0.8406151E-02 |GRAD(Rho)| 0.1604731E-16 GRAD(Rho)x 0.6616241E-17 GRAD(Rho)y 0.1389884E-16 GRAD(Rho)z 0.4534711E-17 Laplacian 0.3459857E-01 (-1/4)Del**2(Rho)) -0.8649642E-02 Diamond 0.9660153E-03 Metallicity 0.6921768E+00 Ellipticity -0.1458251E+01 Gb(Abramov) 0.6764275E-02 Vb(Abramov) -0.4878908E-02 Hb(Abramov) 0.1885367E-02 Ex_ueg -0.1262354E-02 Ec_ueg -0.2963152E-03 Delta_ex -0.1603298E-02 Delta_ec 0.5436118E-03 Delta_et -0.3647403E-02 Pxc 0.4260175E+01 Qxc -0.2949344E+01 3,+1 59 3 +3 -1.090452 1.104217 -1.138815 Rho 0.5298606E-02 |GRAD(Rho)| 0.3341888E-11 GRAD(Rho)x -0.1044567E-11 GRAD(Rho)y -0.2030414E-11 GRAD(Rho)z 0.2440188E-11 Laplacian 0.2244786E-01 (-1/4)Del**2(Rho)) -0.5611966E-02 Diamond 0.1805460E-03 Metallicity 0.4943572E+00 Ellipticity -0.1822519E+00 Gb(Abramov) 0.4203696E-02 Vb(Abramov) -0.2795427E-02 Hb(Abramov) 0.1408269E-02 Ex_ueg -0.6822348E-03 Ec_ueg -0.1597856E-03 Delta_ex -0.7974663E-03 Delta_ec 0.1154763E-03 Delta_et -0.8756142E-03 Pxc 0.4269690E+01 Qxc -0.6905890E+01 3,+3 60 3 -1 -2.789754 -1.815239 0.579123 Rho 0.1299262E+00 |GRAD(Rho)| 0.1034295E-12 GRAD(Rho)x 0.1117853E-13 GRAD(Rho)y -0.7802695E-13 GRAD(Rho)z -0.6696641E-13 Laplacian 0.5481423E+00 (-1/4)Del**2(Rho)) -0.1370356E+00 Diamond 0.9250698E+00 Metallicity 0.4190002E+01 Ellipticity 0.8867206E-02 Gb(Abramov) 0.1870536E+00 Vb(Abramov) -0.2370717E+00 Hb(Abramov) -0.5001804E-01 Ex_ueg -0.4860123E-01 Ec_ueg -0.7171169E-02 Delta_ex -0.5672551E-01 Delta_ec 0.1419472E-01 Delta_et -0.1845175E+00 Pxc 0.6777309E+01 Qxc -0.3996239E+01 3,-1 61 3 +1 -2.108121 -1.340316 -1.026533 Rho 0.2464985E-01 |GRAD(Rho)| 0.9581223E-16 GRAD(Rho)x -0.1225113E-17 GRAD(Rho)y -0.7348083E-16 GRAD(Rho)z 0.6147398E-16 Laplacian 0.9801763E-01 (-1/4)Del**2(Rho)) -0.2450441E-01 Diamond 0.1238507E-01 Metallicity 0.1467798E+01 Ellipticity -0.3143305E+01 Gb(Abramov) 0.2233086E-01 Vb(Abramov) -0.2015731E-01 Hb(Abramov) 0.2173550E-02 Ex_ueg -0.5298312E-02 Ec_ueg -0.1071101E-02 Delta_ex -0.6052443E-02 Delta_ec 0.1626130E-02 Delta_et -0.1431365E-01 Pxc 0.4946603E+01 Qxc -0.3721992E+01 3,+1 62 3 +1 -1.993438 -2.004703 -2.006567 Rho 0.1229330E-01 |GRAD(Rho)| 0.7361861E-17 GRAD(Rho)x -0.1669164E-17 GRAD(Rho)y -0.5159578E-18 GRAD(Rho)z 0.7151551E-17 Laplacian 0.5789114E-01 (-1/4)Del**2(Rho)) -0.1447278E-01 Diamond 0.2014468E-02 Metallicity 0.7794380E+00 Ellipticity -0.1172783E+01 Gb(Abramov) 0.1152863E-01 Vb(Abramov) -0.8584474E-02 Hb(Abramov) 0.2944155E-02 Ex_ueg -0.2095444E-02 Ec_ueg -0.4731254E-03 Delta_ex -0.2756533E-02 Delta_ec 0.5599018E-03 Delta_et -0.4368432E-02 Pxc 0.4428941E+01 Qxc -0.4923244E+01 3,+1 63 3 +3 -1.827136 -1.848849 -1.844092 Rho 0.1200932E-01 |GRAD(Rho)| 0.1734013E-16 GRAD(Rho)x -0.4242991E-17 GRAD(Rho)y -0.4239706E-17 GRAD(Rho)z 0.1626967E-16 Laplacian 0.5469271E-01 (-1/4)Del**2(Rho)) -0.1367318E-01 Diamond 0.1186862E-02 Metallicity 0.7935017E+00 Ellipticity -0.6494016E+00 Gb(Abramov) 0.1092373E-01 Vb(Abramov) -0.8174289E-02 Hb(Abramov) 0.2749444E-02 Ex_ueg -0.2031155E-02 Ec_ueg -0.4599993E-03 Delta_ex -0.2398234E-02 Delta_ec 0.1908844E-03 Delta_et -0.1830280E-02 Pxc 0.4415560E+01 Qxc -0.1256380E+02 3,+3 64 3 -1 -1.701173 -1.686832 -0.498212 Rho 0.3531718E-01 |GRAD(Rho)| 0.8756809E-16 GRAD(Rho)x -0.8283167E-16 GRAD(Rho)y -0.2333173E-16 GRAD(Rho)z -0.1620850E-16 Laplacian 0.1467864E+00 (-1/4)Del**2(Rho)) -0.3669659E-01 Diamond 0.4749513E-01 Metallicity 0.1784723E+01 Ellipticity 0.7961785E-02 Gb(Abramov) 0.3537994E-01 Vb(Abramov) -0.3406328E-01 Hb(Abramov) 0.1316654E-02 Ex_ueg -0.8557886E-02 Ec_ueg -0.1620996E-02 Delta_ex -0.1115828E-01 Delta_ec 0.4519997E-02 Delta_et -0.4343193E-01 Pxc 0.5279399E+01 Qxc -0.2468648E+01 3,-1 65 3 +1 -1.676904 0.515951 -0.574233 Rho 0.9574948E-02 |GRAD(Rho)| 0.4652668E-15 GRAD(Rho)x 0.2674878E-15 GRAD(Rho)y 0.6713483E-16 GRAD(Rho)z 0.3747217E-15 Laplacian 0.4138494E-01 (-1/4)Del**2(Rho)) -0.1034623E-01 Diamond 0.1345866E-02 Metallicity 0.7188941E+00 Ellipticity -0.1428594E+01 Gb(Abramov) 0.8137130E-02 Vb(Abramov) -0.5928027E-02 Hb(Abramov) 0.2209104E-02 Ex_ueg -0.1501644E-02 Ec_ueg -0.3488104E-03 Delta_ex -0.1967838E-02 Delta_ec 0.6267299E-03 Delta_et -0.4368387E-02 Pxc 0.4305044E+01 Qxc -0.3139850E+01 3,+1 66 3 +1 -1.767522 -1.758719 1.755913 Rho 0.1227689E-01 |GRAD(Rho)| 0.2065885E-16 GRAD(Rho)x -0.1254758E-16 GRAD(Rho)y -0.6525328E-17 GRAD(Rho)z -0.1505876E-16 Laplacian 0.6214587E-01 (-1/4)Del**2(Rho)) -0.1553647E-01 Diamond 0.2572635E-02 Metallicity 0.7244604E+00 Ellipticity -0.1249206E+01 Gb(Abramov) 0.1223357E-01 Vb(Abramov) -0.8930675E-02 Hb(Abramov) 0.3302897E-02 Ex_ueg -0.2091716E-02 Ec_ueg -0.4723662E-03 Delta_ex -0.3074119E-02 Delta_ec 0.8082994E-03 Delta_et -0.6093522E-02 Pxc 0.4428167E+01 Qxc -0.3803193E+01 3,+1 67 3 +3 -1.125985 -1.094527 1.099387 Rho 0.4855167E-02 |GRAD(Rho)| 0.8267833E-13 GRAD(Rho)x -0.8257707E-13 GRAD(Rho)y 0.1665936E-14 GRAD(Rho)z -0.3736091E-14 Laplacian 0.1976530E-01 (-1/4)Del**2(Rho)) -0.4941324E-02 Diamond 0.1426897E-03 Metallicity 0.4853445E+00 Ellipticity -0.1060569E+00 Gb(Abramov) 0.3693924E-02 Vb(Abramov) -0.2446523E-02 Hb(Abramov) 0.1247401E-02 Ex_ueg -0.6071891E-03 Ec_ueg -0.1406854E-03 Delta_ex -0.6870937E-03 Delta_ec 0.1044954E-03 Delta_et -0.7725518E-03 Pxc 0.4315936E+01 Qxc -0.6575346E+01 3,+3 68 3 -1 -1.963982 -0.868982 -3.002376 Rho 0.1602342E+00 |GRAD(Rho)| 0.1762901E-11 GRAD(Rho)x 0.9672272E-12 GRAD(Rho)y -0.1272670E-11 GRAD(Rho)z -0.7433741E-12 Laplacian 0.6331485E+00 (-1/4)Del**2(Rho)) -0.1582871E+00 Diamond 0.1395626E+01 Metallicity 0.5144776E+01 Ellipticity 0.4480581E-01 Gb(Abramov) 0.2412500E+00 Vb(Abramov) -0.3242130E+00 Hb(Abramov) -0.8296292E-01 Ex_ueg -0.6427748E-01 Ec_ueg -0.9101839E-02 Delta_ex -0.6917236E-01 Delta_ec 0.1590980E-01 Delta_et -0.2139396E+00 Pxc 0.7062032E+01 Qxc -0.4347785E+01 3,-1 69 3 +1 -1.009691 -1.359632 -2.125889 Rho 0.2398128E-01 |GRAD(Rho)| 0.6465502E-16 GRAD(Rho)x 0.2466559E-16 GRAD(Rho)y 0.9191778E-17 GRAD(Rho)z 0.5905415E-16 Laplacian 0.9420801E-01 (-1/4)Del**2(Rho)) -0.2355200E-01 Diamond 0.1110664E-01 Metallicity 0.1458745E+01 Ellipticity -0.2798893E+01 Gb(Abramov) 0.2142739E-01 Vb(Abramov) -0.1930279E-01 Hb(Abramov) 0.2124608E-02 Ex_ueg -0.5107576E-02 Ec_ueg -0.1037561E-02 Delta_ex -0.5733840E-02 Delta_ec 0.1490211E-02 Delta_et -0.1304902E-01 Pxc 0.4922675E+01 Qxc -0.3847671E+01 3,+1 70 3 -1 -1.819855 -0.583937 2.793801 Rho 0.1481308E+00 |GRAD(Rho)| 0.2241653E-15 GRAD(Rho)x 0.1639043E-15 GRAD(Rho)y -0.1529132E-15 GRAD(Rho)z 0.1741500E-17 Laplacian 0.6252803E+00 (-1/4)Del**2(Rho)) -0.1563201E+00 Diamond 0.1250968E+01 Metallicity 0.4570328E+01 Ellipticity 0.9871281E-02 Gb(Abramov) 0.2232857E+00 Vb(Abramov) -0.2902513E+00 Hb(Abramov) -0.6696564E-01 Ex_ueg -0.5788671E-01 Ec_ueg -0.8323966E-02 Delta_ex -0.6697087E-01 Delta_ec 0.1596447E-01 Delta_et -0.2122592E+00 Pxc 0.6954223E+01 Qxc -0.4194995E+01 3,-1 71 3 +1 -0.098796 -0.110685 -2.890523 Rho 0.4947317E-02 |GRAD(Rho)| 0.4877877E-14 GRAD(Rho)x -0.3739757E-14 GRAD(Rho)y -0.3130673E-14 GRAD(Rho)z 0.8237632E-16 Laplacian 0.2029704E-01 (-1/4)Del**2(Rho)) -0.5074259E-02 Diamond 0.4830535E-03 Metallicity 0.4876746E+00 Ellipticity -0.4024315E+01 Gb(Abramov) 0.3795271E-02 Vb(Abramov) -0.2516282E-02 Hb(Abramov) 0.1278989E-02 Ex_ueg -0.6226033E-03 Ec_ueg -0.1446464E-03 Delta_ex -0.1022551E-02 Delta_ec 0.6667424E-03 Delta_et -0.3598296E-02 Pxc 0.4304314E+01 Qxc -0.1533652E+01 3,+1 72 3 +3 0.010077 -0.006858 -2.373818 Rho 0.4467596E-02 |GRAD(Rho)| 0.9808793E-14 GRAD(Rho)x 0.4372745E-14 GRAD(Rho)y 0.4731418E-14 GRAD(Rho)z 0.7396297E-14 Laplacian 0.1844181E-01 (-1/4)Del**2(Rho)) -0.4610453E-02 Diamond 0.1714370E-03 Metallicity 0.4528274E+00 Ellipticity -0.2970925E+00 Gb(Abramov) 0.3421592E-02 Vb(Abramov) -0.2232731E-02 Hb(Abramov) 0.1188861E-02 Ex_ueg -0.5434383E-03 Ec_ueg -0.1240737E-03 Delta_ex -0.6834767E-03 Delta_ec 0.1988232E-03 Delta_et -0.1199912E-02 Pxc 0.4379963E+01 Qxc -0.3437611E+01 3,+3 73 3 +1 -0.531698 0.552604 -1.687102 Rho 0.9157418E-02 |GRAD(Rho)| 0.1018927E-13 GRAD(Rho)x 0.6858236E-14 GRAD(Rho)y 0.7506039E-14 GRAD(Rho)z -0.6672027E-15 Laplacian 0.3835782E-01 (-1/4)Del**2(Rho)) -0.9589456E-02 Diamond 0.1177802E-02 Metallicity 0.7200803E+00 Ellipticity -0.1449591E+01 Gb(Abramov) 0.7543834E-02 Vb(Abramov) -0.5498212E-02 Hb(Abramov) 0.2045622E-02 Ex_ueg -0.1414976E-02 Ec_ueg -0.3299890E-03 Delta_ex -0.1805164E-02 Delta_ec 0.5837968E-03 Delta_et -0.4019987E-02 Pxc 0.4287949E+01 Qxc -0.3092109E+01 3,+1 74 3 +1 -0.598291 -0.492226 1.681527 Rho 0.8318112E-02 |GRAD(Rho)| 0.1306138E-16 GRAD(Rho)x -0.3591240E-17 GRAD(Rho)y 0.1190967E-16 GRAD(Rho)z -0.3982740E-17 Laplacian 0.3437863E-01 (-1/4)Del**2(Rho)) -0.8594657E-02 Diamond 0.9282633E-03 Metallicity 0.6844881E+00 Ellipticity -0.1427715E+01 Gb(Abramov) 0.6710261E-02 Vb(Abramov) -0.4825866E-02 Hb(Abramov) 0.1884396E-02 Ex_ueg -0.1244757E-02 Ec_ueg -0.2923854E-03 Delta_ex -0.1580500E-02 Delta_ec 0.5250494E-03 Delta_et -0.3524157E-02 Pxc 0.4257249E+01 Qxc -0.3010192E+01 3,+1 75 3 +1 -1.218600 1.167993 2.086463 Rho 0.2463669E-01 |GRAD(Rho)| 0.1122540E-15 GRAD(Rho)x -0.2976600E-16 GRAD(Rho)y 0.1651152E-16 GRAD(Rho)z 0.1069688E-15 Laplacian 0.9851612E-01 (-1/4)Del**2(Rho)) -0.2462903E-01 Diamond 0.1403444E-01 Metallicity 0.1459071E+01 Ellipticity -0.7651921E+01 Gb(Abramov) 0.2240860E-01 Vb(Abramov) -0.2018818E-01 Hb(Abramov) 0.2220427E-02 Ex_ueg -0.5294538E-02 Ec_ueg -0.1070439E-02 Delta_ex -0.6259053E-02 Delta_ec 0.1949882E-02 Delta_et -0.1708302E-01 Pxc 0.4946136E+01 Qxc -0.3209965E+01 3,+1 76 3 +1 -1.223702 -2.104933 -1.157034 Rho 0.2387711E-01 |GRAD(Rho)| 0.2662385E-16 GRAD(Rho)x -0.2623247E-16 GRAD(Rho)y -0.3739784E-17 GRAD(Rho)z -0.2588588E-17 Laplacian 0.9735857E-01 (-1/4)Del**2(Rho)) -0.2433964E-01 Diamond 0.1417145E-01 Metallicity 0.1401335E+01 Ellipticity -0.3426409E+02 Gb(Abramov) 0.2191109E-01 Vb(Abramov) -0.1948254E-01 Hb(Abramov) 0.2428549E-02 Ex_ueg -0.5078016E-02 Ec_ueg -0.1032346E-02 Delta_ex -0.6237582E-02 Delta_ec 0.2109462E-02 Delta_et -0.1829119E-01 Pxc 0.4918908E+01 Qxc -0.2956954E+01 3,+1 77 3 +1 0.029962 -0.030519 2.910014 Rho 0.4790523E-02 |GRAD(Rho)| 0.1425374E-14 GRAD(Rho)x 0.1004482E-14 GRAD(Rho)y -0.1002421E-14 GRAD(Rho)z -0.1336330E-15 Laplacian 0.1956662E-01 (-1/4)Del**2(Rho)) -0.4891655E-02 Diamond 0.4703768E-03 Metallicity 0.4794414E+00 Ellipticity -0.7494913E+01 Gb(Abramov) 0.3651980E-02 Vb(Abramov) -0.2412306E-02 Hb(Abramov) 0.1239675E-02 Ex_ueg -0.5964338E-03 Ec_ueg -0.1379093E-03 Delta_ex -0.1003779E-02 Delta_ec 0.6856262E-03 Delta_et -0.3647733E-02 Pxc 0.4324827E+01 Qxc -0.1464033E+01 3,+1 78 3 +1 1.759769 -1.776923 -1.762189 Rho 0.1215905E-01 |GRAD(Rho)| 0.1922778E-16 GRAD(Rho)x -0.1159750E-16 GRAD(Rho)y 0.2570992E-17 GRAD(Rho)z -0.1511938E-16 Laplacian 0.6161460E-01 (-1/4)Del**2(Rho)) -0.1540365E-01 Diamond 0.2528712E-02 Metallicity 0.7190554E+00 Ellipticity -0.1248609E+01 Gb(Abramov) 0.1211511E-01 Vb(Abramov) -0.8826576E-02 Hb(Abramov) 0.3288537E-02 Ex_ueg -0.2064990E-02 Ec_ueg -0.4669163E-03 Delta_ex -0.3043378E-02 Delta_ec 0.8072661E-03 Delta_et -0.6066934E-02 Pxc 0.4422613E+01 Qxc -0.3769981E+01 3,+1 79 3 +3 -0.053349 0.053938 2.355294 Rho 0.4235355E-02 |GRAD(Rho)| 0.1260101E-16 GRAD(Rho)x 0.6632157E-17 GRAD(Rho)y 0.6100117E-18 GRAD(Rho)z -0.1069709E-16 Laplacian 0.1741609E-01 (-1/4)Del**2(Rho)) -0.4354023E-02 Diamond 0.1439546E-03 Metallicity 0.4386776E+00 Ellipticity -0.2326735E+00 Gb(Abramov) 0.3221017E-02 Vb(Abramov) -0.2088012E-02 Hb(Abramov) 0.1133006E-02 Ex_ueg -0.5061021E-03 Ec_ueg -0.1141569E-03 Delta_ex -0.6292531E-03 Delta_ec 0.1740003E-03 Delta_et -0.1052584E-02 Pxc 0.4433391E+01 Qxc -0.3616391E+01 3,+3 80 3 +1 0.527459 1.696177 0.523164 Rho 0.8688549E-02 |GRAD(Rho)| 0.9108488E-17 GRAD(Rho)x 0.1521696E-17 GRAD(Rho)y -0.8601454E-17 GRAD(Rho)z 0.2581471E-17 Laplacian 0.3618267E-01 (-1/4)Del**2(Rho)) -0.9045668E-02 Diamond 0.1036962E-02 Metallicity 0.6993447E+00 Ellipticity -0.1437398E+01 Gb(Abramov) 0.7084786E-02 Vb(Abramov) -0.5123903E-02 Hb(Abramov) 0.1960883E-02 Ex_ueg -0.1319212E-02 Ec_ueg -0.3089438E-03 Delta_ex -0.1681729E-02 Delta_ec 0.5528372E-03 Delta_et -0.3753200E-02 Pxc 0.4270073E+01 Qxc -0.3041997E+01 3,+1 81 3 -1 -0.375008 -0.351809 -0.385627 Rho 0.2062565E+00 |GRAD(Rho)| 0.8016141E-14 GRAD(Rho)x 0.4558147E-14 GRAD(Rho)y 0.4538494E-14 GRAD(Rho)z 0.4783710E-14 Laplacian 0.7643769E+00 (-1/4)Del**2(Rho)) -0.1910942E+00 Diamond 0.2518637E+01 Metallicity 0.6491100E+01 Ellipticity 0.4280219E-02 Gb(Abramov) 0.3341314E+00 Vb(Abramov) -0.4771686E+00 Hb(Abramov) -0.1430372E+00 Ex_ueg -0.9000401E-01 Ec_ueg -0.1213779E-01 Delta_ex -0.9053054E-01 Delta_ec 0.2072553E-01 Delta_et -0.2959798E+00 Pxc 0.7415188E+01 Qxc -0.4368068E+01 3,-1 82 3 +1 -1.736848 1.744148 -1.746493 Rho 0.1270179E-01 |GRAD(Rho)| 0.2321211E-16 GRAD(Rho)x 0.1612528E-16 GRAD(Rho)y -0.2138493E-18 GRAD(Rho)z -0.1669526E-16 Laplacian 0.6450593E-01 (-1/4)Del**2(Rho)) -0.1612648E-01 Diamond 0.2788494E-02 Metallicity 0.7386775E+00 Ellipticity -0.1260355E+01 Gb(Abramov) 0.1273637E-01 Vb(Abramov) -0.9346250E-02 Hb(Abramov) 0.3390116E-02 Ex_ueg -0.2188793E-02 Ec_ueg -0.4920621E-03 Delta_ex -0.3217173E-02 Delta_ec 0.8344675E-03 Delta_et -0.6346558E-02 Pxc 0.4448206E+01 Qxc -0.3855360E+01 3,+1 83 3 -1 -0.384279 0.384502 0.329148 Rho 0.1968829E+00 |GRAD(Rho)| 0.3346882E-15 GRAD(Rho)x -0.2050047E-15 GRAD(Rho)y 0.1265208E-15 GRAD(Rho)z 0.2323397E-15 Laplacian 0.6700853E+00 (-1/4)Del**2(Rho)) -0.1675213E+00 Diamond 0.2107436E+01 Metallicity 0.6852197E+01 Ellipticity 0.1266928E-01 Gb(Abramov) 0.3029957E+00 Vb(Abramov) -0.4384701E+00 Hb(Abramov) -0.1354744E+00 Ex_ueg -0.8459197E-01 Ec_ueg -0.1150969E-01 Delta_ex -0.7858687E-01 Delta_ec 0.1862653E-01 Delta_et -0.2651296E+00 Pxc 0.7349629E+01 Qxc -0.4219084E+01 3,-1 84 3 -1 1.692710 0.488963 -1.693599 Rho 0.3934071E-01 |GRAD(Rho)| 0.2228532E-15 GRAD(Rho)x 0.1755671E-15 GRAD(Rho)y -0.4963655E-16 GRAD(Rho)z -0.1279687E-15 Laplacian 0.1559312E+00 (-1/4)Del**2(Rho)) -0.3898279E-01 Diamond 0.5612950E-01 Metallicity 0.2011023E+01 Ellipticity 0.1529944E-01 Gb(Abramov) 0.3905441E-01 Vb(Abramov) -0.3912603E-01 Hb(Abramov) -0.7162016E-04 Ex_ueg -0.9881918E-02 Ec_ueg -0.1834748E-02 Delta_ex -0.1203449E-01 Delta_ec 0.4555652E-02 Delta_et -0.4506250E-01 Pxc 0.5385980E+01 Qxc -0.2641662E+01 3,-1 85 3 +1 0.496308 0.594180 1.684551 Rho 0.8286147E-02 |GRAD(Rho)| 0.5284533E-17 GRAD(Rho)x 0.3308149E-17 GRAD(Rho)y 0.3926014E-17 GRAD(Rho)z -0.1252537E-17 Laplacian 0.3416497E-01 (-1/4)Del**2(Rho)) -0.8541243E-02 Diamond 0.9137728E-03 Metallicity 0.6843629E+00 Ellipticity -0.1424336E+01 Gb(Abramov) 0.6668380E-02 Vb(Abramov) -0.4795517E-02 Hb(Abramov) 0.1872863E-02 Ex_ueg -0.1238384E-02 Ec_ueg -0.2909594E-03 Delta_ex -0.1567327E-02 Delta_ec 0.5184883E-03 Delta_et -0.3479093E-02 Pxc 0.4256208E+01 Qxc -0.3022878E+01 3,+1 86 3 +1 -0.079303 -2.911371 -0.090202 Rho 0.4642784E-02 |GRAD(Rho)| 0.1106124E-16 GRAD(Rho)x -0.7387305E-17 GRAD(Rho)y -0.1747075E-18 GRAD(Rho)z -0.8230931E-17 Laplacian 0.1901809E-01 (-1/4)Del**2(Rho)) -0.4754522E-02 Diamond 0.4348740E-03 Metallicity 0.4681775E+00 Ellipticity -0.4858236E+01 Gb(Abramov) 0.3540674E-02 Vb(Abramov) -0.2326827E-02 Hb(Abramov) 0.1213847E-02 Ex_ueg -0.5720356E-03 Ec_ueg -0.1315729E-03 Delta_ex -0.9664693E-03 Delta_ec 0.6600319E-03 Delta_et -0.3480642E-02 Pxc 0.4347671E+01 Qxc -0.1464277E+01 3,+1 87 3 +1 -0.505659 1.682935 -0.577170 Rho 0.9396665E-02 |GRAD(Rho)| 0.8865483E-17 GRAD(Rho)x 0.4558344E-19 GRAD(Rho)y -0.6428131E-17 GRAD(Rho)z 0.6105231E-17 Laplacian 0.4040706E-01 (-1/4)Del**2(Rho)) -0.1010176E-01 Diamond 0.1276321E-02 Metallicity 0.7135846E+00 Ellipticity -0.1422773E+01 Gb(Abramov) 0.7935920E-02 Vb(Abramov) -0.5770076E-02 Hb(Abramov) 0.2165844E-02 Ex_ueg -0.1464480E-02 Ec_ueg -0.3407645E-03 Delta_ex -0.1910455E-02 Delta_ec 0.6087038E-03 Delta_et -0.4224391E-02 Pxc 0.4297630E+01 Qxc -0.3138562E+01 3,+1 88 3 -1 -0.481297 -1.698927 -1.702423 Rho 0.3520699E-01 |GRAD(Rho)| 0.9458213E-16 GRAD(Rho)x -0.2747065E-16 GRAD(Rho)y -0.8715440E-16 GRAD(Rho)z -0.2439783E-16 Laplacian 0.1459510E+00 (-1/4)Del**2(Rho)) -0.3648774E-01 Diamond 0.4711400E-01 Metallicity 0.1785614E+01 Ellipticity 0.1305031E-01 Gb(Abramov) 0.3518400E-01 Vb(Abramov) -0.3388026E-01 Hb(Abramov) 0.1303742E-02 Ex_ueg -0.8522301E-02 Ec_ueg -0.1615187E-02 Delta_ex -0.1109248E-01 Delta_ec 0.4505325E-02 Delta_et -0.4325406E-01 Pxc 0.5276357E+01 Qxc -0.2462083E+01 3,-1 89 3 -1 0.593685 -2.804717 -1.820850 Rho 0.1401193E+00 |GRAD(Rho)| 0.4040723E-14 GRAD(Rho)x -0.2512706E-14 GRAD(Rho)y 0.7705052E-15 GRAD(Rho)z -0.3069214E-14 Laplacian 0.5885737E+00 (-1/4)Del**2(Rho)) -0.1471434E+00 Diamond 0.1086521E+01 Metallicity 0.4425634E+01 Ellipticity 0.1713265E-01 Gb(Abramov) 0.2066295E+00 Vb(Abramov) -0.2661155E+00 Hb(Abramov) -0.5948602E-01 Ex_ueg -0.5375047E-01 Ec_ueg -0.7814038E-02 Delta_ex -0.6202587E-01 Delta_ec 0.1494271E-01 Delta_et -0.1964556E+00 Pxc 0.6878707E+01 Qxc -0.4150911E+01 3,-1 90 3 -1 0.838384 -2.969434 1.972956 Rho 0.1453521E+00 |GRAD(Rho)| 0.2496047E-15 GRAD(Rho)x 0.1201296E-15 GRAD(Rho)y 0.1303211E-15 GRAD(Rho)z -0.1757492E-15 Laplacian 0.5802502E+00 (-1/4)Del**2(Rho)) -0.1450626E+00 Diamond 0.1139207E+01 Metallicity 0.4771995E+01 Ellipticity 0.3000858E-01 Gb(Abramov) 0.2120813E+00 Vb(Abramov) -0.2791001E+00 Hb(Abramov) -0.6701877E-01 Ex_ueg -0.5644343E-01 Ec_ueg -0.8146647E-02 Delta_ex -0.6190639E-01 Delta_ec 0.1496635E-01 Delta_et -0.1986286E+00 Pxc 0.6928424E+01 Qxc -0.4136373E+01 3,-1 91 3 +3 -0.000074 -2.358550 -0.019566 Rho 0.4107690E-02 |GRAD(Rho)| 0.2067625E-16 GRAD(Rho)x -0.4155327E-17 GRAD(Rho)y 0.1604458E-16 GRAD(Rho)z -0.1236172E-16 Laplacian 0.1681823E-01 (-1/4)Del**2(Rho)) -0.4204557E-02 Diamond 0.1384226E-03 Metallicity 0.4316804E+00 Ellipticity -0.3204552E+00 Gb(Abramov) 0.3105542E-02 Vb(Abramov) -0.2006527E-02 Hb(Abramov) 0.1099015E-02 Ex_ueg -0.4858646E-03 Ec_ueg -0.1087175E-03 Delta_ex -0.6091149E-03 Delta_ec 0.1789201E-03 Delta_et -0.1060059E-02 Pxc 0.4469056E+01 Qxc -0.3404397E+01 3,+3 92 3 +1 0.556772 -1.691871 -0.545079 Rho 0.7929766E-02 |GRAD(Rho)| 0.7863240E-15 GRAD(Rho)x -0.6465634E-15 GRAD(Rho)y 0.2146488E-15 GRAD(Rho)z -0.3926665E-15 Laplacian 0.3224434E-01 (-1/4)Del**2(Rho)) -0.8061086E-02 Diamond 0.8510474E-03 Metallicity 0.6738970E+00 Ellipticity -0.1474652E+01 Gb(Abramov) 0.6279447E-02 Vb(Abramov) -0.4497809E-02 Hb(Abramov) 0.1781638E-02 Ex_ueg -0.1167882E-02 Ec_ueg -0.2750925E-03 Delta_ex -0.1482588E-02 Delta_ec 0.5240363E-03 Delta_et -0.3449149E-02 Pxc 0.4245415E+01 Qxc -0.2829170E+01 3,+1 93 3 -1 0.837249 -1.971304 2.967762 Rho 0.1437336E+00 |GRAD(Rho)| 0.6203283E-14 GRAD(Rho)x -0.6193003E-14 GRAD(Rho)y 0.3172376E-15 GRAD(Rho)z 0.1636739E-15 Laplacian 0.5750449E+00 (-1/4)Del**2(Rho)) -0.1437612E+00 Diamond 0.1112407E+01 Metallicity 0.4726164E+01 Ellipticity 0.2802446E-01 Gb(Abramov) 0.2090807E+00 Vb(Abramov) -0.2744001E+00 Hb(Abramov) -0.6531946E-01 Ex_ueg -0.5560702E-01 Ec_ueg -0.8043592E-02 Delta_ex -0.6116775E-01 Delta_ec 0.1484461E-01 Delta_et -0.1966274E+00 Pxc 0.6913208E+01 Qxc -0.4120536E+01 3,-1 94 3 -1 0.585927 -1.830805 -2.781043 Rho 0.1313707E+00 |GRAD(Rho)| 0.2057359E-13 GRAD(Rho)x -0.1971142E-13 GRAD(Rho)y -0.5416010E-14 GRAD(Rho)z -0.2323625E-14 Laplacian 0.5537656E+00 (-1/4)Del**2(Rho)) -0.1384414E+00 Diamond 0.9461708E+00 Metallicity 0.4224594E+01 Ellipticity 0.8720283E-02 Gb(Abramov) 0.1897707E+00 Vb(Abramov) -0.2411000E+00 Hb(Abramov) -0.5132930E-01 Ex_ueg -0.4932305E-01 Ec_ueg -0.7261864E-02 Delta_ex -0.5745044E-01 Delta_ec 0.1428337E-01 Delta_et -0.1859592E+00 Pxc 0.6792064E+01 Qxc -0.4022191E+01 3,-1 95 3 +3 1.108991 -1.131498 -1.093855 Rho 0.4777157E-02 |GRAD(Rho)| 0.7350993E-16 GRAD(Rho)x 0.1707362E-16 GRAD(Rho)y 0.6895827E-16 GRAD(Rho)z 0.1889334E-16 Laplacian 0.1934962E-01 (-1/4)Del**2(Rho)) -0.4837405E-02 Diamond 0.1372796E-03 Metallicity 0.4825658E+00 Ellipticity -0.3224372E-01 Gb(Abramov) 0.3613998E-02 Vb(Abramov) -0.2390590E-02 Hb(Abramov) 0.1223407E-02 Ex_ueg -0.5942160E-03 Ec_ueg -0.1373356E-03 Delta_ex -0.6703157E-03 Delta_ec 0.1034400E-03 Delta_et -0.7596199E-03 Pxc 0.4326745E+01 Qxc -0.6480234E+01 3,+3 96 3 +1 2.001231 -1.999220 1.989632 Rho 0.1249174E-01 |GRAD(Rho)| 0.1361042E-16 GRAD(Rho)x -0.4992079E-17 GRAD(Rho)y -0.8443344E-17 GRAD(Rho)z 0.9435708E-17 Laplacian 0.5926945E-01 (-1/4)Del**2(Rho)) -0.1481736E-01 Diamond 0.2131436E-02 Metallicity 0.7819050E+00 Ellipticity -0.1176286E+01 Gb(Abramov) 0.1180920E-01 Vb(Abramov) -0.8801044E-02 Hb(Abramov) 0.3008159E-02 Ex_ueg -0.2140667E-02 Ec_ueg -0.4823169E-03 Delta_ex -0.2840888E-02 Delta_ec 0.5844505E-03 Delta_et -0.4564534E-02 Pxc 0.4438300E+01 Qxc -0.4860785E+01 3,+1 97 3 -1 1.835527 -2.798539 -0.576432 Rho 0.1302599E+00 |GRAD(Rho)| 0.1450356E-15 GRAD(Rho)x 0.6167755E-16 GRAD(Rho)y -0.1312257E-15 GRAD(Rho)z -0.3320369E-17 Laplacian 0.5466040E+00 (-1/4)Del**2(Rho)) -0.1366510E+00 Diamond 0.9271817E+00 Metallicity 0.4219795E+01 Ellipticity 0.9210704E-02 Gb(Abramov) 0.1872072E+00 Vb(Abramov) -0.2377634E+00 Hb(Abramov) -0.5055621E-01 Ex_ueg -0.4876773E-01 Ec_ueg -0.7192107E-02 Delta_ex -0.5662379E-01 Delta_ec 0.1418609E-01 Delta_et -0.1845563E+00 Pxc 0.6780729E+01 Qxc -0.3991500E+01 3,-1 98 3 +1 1.339472 -2.078482 1.012112 Rho 0.2301920E-01 |GRAD(Rho)| 0.1289287E-16 GRAD(Rho)x 0.1500347E-17 GRAD(Rho)y 0.7028408E-17 GRAD(Rho)z 0.1070404E-16 Laplacian 0.9025365E-01 (-1/4)Del**2(Rho)) -0.2256341E-01 Diamond 0.1050752E-01 Metallicity 0.1422215E+01 Ellipticity -0.3190185E+01 Gb(Abramov) 0.2039061E-01 Vb(Abramov) -0.1821782E-01 Hb(Abramov) 0.2172799E-02 Ex_ueg -0.4836212E-02 Ec_ueg -0.9895103E-03 Delta_ex -0.5487683E-02 Delta_ec 0.1525236E-02 Delta_et -0.1319455E-01 Pxc 0.4887480E+01 Qxc -0.3597923E+01 3,+1 99 3 -1 1.686350 -1.685680 0.501371 Rho 0.3143373E-01 |GRAD(Rho)| 0.5056774E-16 GRAD(Rho)x 0.4665140E-16 GRAD(Rho)y -0.1596255E-16 GRAD(Rho)z -0.1122234E-16 Laplacian 0.1288862E+00 (-1/4)Del**2(Rho)) -0.3222156E-01 Diamond 0.3531187E-01 Metallicity 0.1673914E+01 Ellipticity 0.9643409E-02 Gb(Abramov) 0.3047040E-01 Vb(Abramov) -0.2871923E-01 Hb(Abramov) 0.1751166E-02 Ex_ueg -0.7326777E-02 Ec_ueg -0.1417795E-02 Delta_ex -0.9501868E-02 Delta_ec 0.3930482E-02 Delta_et -0.3656878E-01 Pxc 0.5167726E+01 Qxc -0.2417482E+01 3,-1 100 3 +3 1.817896 -1.815308 1.797807 Rho 0.1206042E-01 |GRAD(Rho)| 0.1891582E-14 GRAD(Rho)x 0.6942429E-15 GRAD(Rho)y 0.1601456E-14 GRAD(Rho)z 0.7290038E-15 Laplacian 0.5485970E-01 (-1/4)Del**2(Rho)) -0.1371492E-01 Diamond 0.1145919E-02 Metallicity 0.7967041E+00 Ellipticity -0.6082631E+00 Gb(Abramov) 0.1096441E-01 Vb(Abramov) -0.8213887E-02 Hb(Abramov) 0.2750519E-02 Ex_ueg -0.2042686E-02 Ec_ueg -0.4623589E-03 Delta_ex -0.2393744E-02 Delta_ec 0.1649793E-03 Delta_et -0.1657893E-02 Pxc 0.4417966E+01 Qxc -0.1450936E+02 3,+3 101 3 +1 2.080216 -1.332622 1.019800 Rho 0.2285841E-01 |GRAD(Rho)| 0.5942908E-16 GRAD(Rho)x -0.5584139E-16 GRAD(Rho)y 0.1676112E-16 GRAD(Rho)z -0.1151606E-16 Laplacian 0.8950850E-01 (-1/4)Del**2(Rho)) -0.2237713E-01 Diamond 0.1037834E-01 Metallicity 0.1417399E+01 Ellipticity -0.3257485E+01 Gb(Abramov) 0.2020430E-01 Vb(Abramov) -0.1803148E-01 Hb(Abramov) 0.2172823E-02 Ex_ueg -0.4791222E-02 Ec_ueg -0.9815046E-03 Delta_ex -0.5439295E-02 Delta_ec 0.1525225E-02 Delta_et -0.1316789E-01 Pxc 0.4881508E+01 Qxc -0.3566224E+01 3,+1 102 3 -1 3.211091 -3.204255 -0.052553 Rho 0.2460207E+00 |GRAD(Rho)| 0.1220026E-13 GRAD(Rho)x 0.2461139E-14 GRAD(Rho)y -0.6956187E-14 GRAD(Rho)z 0.9715996E-14 Laplacian 0.8567745E+00 (-1/4)Del**2(Rho)) -0.2141936E+00 Diamond 0.3156297E+01 Metallicity 0.7769014E+01 Ellipticity 0.4512382E-03 Gb(Abramov) 0.4201413E+00 Vb(Abramov) -0.6260890E+00 Hb(Abramov) -0.2059477E+00 Ex_ueg -0.1138537E+00 Ec_ueg -0.1485630E-01 Delta_ex -0.1043659E+00 Delta_ec 0.1910376E-01 Delta_et -0.2662626E+00 Pxc 0.7663667E+01 Qxc -0.5463107E+01 3,-1 103 3 +1 1.672557 0.553162 0.537422 Rho 0.8657269E-02 |GRAD(Rho)| 0.2267733E-15 GRAD(Rho)x -0.8274889E-16 GRAD(Rho)y 0.7822285E-16 GRAD(Rho)z -0.1961121E-15 Laplacian 0.3610965E-01 (-1/4)Del**2(Rho)) -0.9027412E-02 Diamond 0.1030877E-02 Metallicity 0.6965593E+00 Ellipticity -0.1435551E+01 Gb(Abramov) 0.7066296E-02 Vb(Abramov) -0.5105180E-02 Hb(Abramov) 0.1961116E-02 Ex_ueg -0.1312884E-02 Ec_ueg -0.3075432E-03 Delta_ex -0.1677305E-02 Delta_ec 0.5525799E-03 Delta_et -0.3747264E-02 Pxc 0.4268941E+01 Qxc -0.3035408E+01 3,+1 104 3 -1 -3.199498 -3.192715 0.060607 Rho 0.2452018E+00 |GRAD(Rho)| 0.5069831E-12 GRAD(Rho)x 0.3535595E-12 GRAD(Rho)y 0.3521078E-12 GRAD(Rho)z -0.8970866E-13 Laplacian 0.8614573E+00 (-1/4)Del**2(Rho)) -0.2153643E+00 Diamond 0.3153910E+01 Metallicity 0.7683968E+01 Ellipticity 0.2725433E-03 Gb(Abramov) 0.4193850E+00 Vb(Abramov) -0.6234056E+00 Hb(Abramov) -0.2040206E+00 Ex_ueg -0.1133487E+00 Ec_ueg -0.1479944E-01 Delta_ex -0.1048092E+00 Delta_ec 0.1916323E-01 Delta_et -0.2667746E+00 Pxc 0.7658987E+01 Qxc -0.5469283E+01 3,-1 105 3 +1 -2.905544 -0.158680 -0.141599 Rho 0.5039006E-02 |GRAD(Rho)| 0.1545967E-13 GRAD(Rho)x -0.4313036E-14 GRAD(Rho)y -0.9385746E-15 GRAD(Rho)z -0.1481614E-13 Laplacian 0.2122516E-01 (-1/4)Del**2(Rho)) -0.5306290E-02 Diamond 0.4824795E-03 Metallicity 0.4808434E+00 Ellipticity -0.2291158E+01 Gb(Abramov) 0.3962776E-02 Vb(Abramov) -0.2619261E-02 Hb(Abramov) 0.1343514E-02 Ex_ueg -0.6380355E-03 Ec_ueg -0.1485918E-03 Delta_ex -0.1040620E-02 Delta_ec 0.6393378E-03 Delta_et -0.3491978E-02 Pxc 0.4293882E+01 Qxc -0.1627653E+01 3,+1 106 3 +1 0.538975 -0.539666 -1.699488 Rho 0.8616232E-02 |GRAD(Rho)| 0.2940770E-17 GRAD(Rho)x -0.2406864E-17 GRAD(Rho)y -0.9877516E-19 GRAD(Rho)z -0.1686824E-17 Laplacian 0.3579864E-01 (-1/4)Del**2(Rho)) -0.8949659E-02 Diamond 0.1032016E-02 Metallicity 0.6970688E+00 Ellipticity -0.1455820E+01 Gb(Abramov) 0.7006194E-02 Vb(Abramov) -0.5062729E-02 Hb(Abramov) 0.1943465E-02 Ex_ueg -0.1304593E-02 Ec_ueg -0.3057065E-03 Delta_ex -0.1668353E-02 Delta_ec 0.5611471E-03 Delta_et -0.3790668E-02 Pxc 0.4267468E+01 Qxc -0.2973111E+01 3,+1 107 3 +3 -2.364717 -0.051342 -0.022804 Rho 0.4522868E-02 |GRAD(Rho)| 0.1287605E-16 GRAD(Rho)x 0.5551462E-17 GRAD(Rho)y 0.1085512E-17 GRAD(Rho)z 0.1156700E-16 Laplacian 0.1905623E-01 (-1/4)Del**2(Rho)) -0.4764058E-02 Diamond 0.1797852E-03 Metallicity 0.4473004E+00 Ellipticity -0.3918691E+00 Gb(Abramov) 0.3531200E-02 Vb(Abramov) -0.2298341E-02 Hb(Abramov) 0.1232859E-02 Ex_ueg -0.5524211E-03 Ec_ueg -0.1264380E-03 Delta_ex -0.7080538E-03 Delta_ec 0.2048034E-03 Delta_et -0.1240593E-02 Pxc 0.4369107E+01 Qxc -0.3457236E+01 3,+3 108 3 -1 -1.674176 -0.499577 -1.707175 Rho 0.4343192E-01 |GRAD(Rho)| 0.1217680E-15 GRAD(Rho)x -0.1116036E-15 GRAD(Rho)y -0.1675018E-16 GRAD(Rho)z 0.4573300E-16 Laplacian 0.1747384E+00 (-1/4)Del**2(Rho)) -0.4368459E-01 Diamond 0.7268773E-01 Metallicity 0.2116281E+01 Ellipticity 0.1135722E-01 Gb(Abramov) 0.4453120E-01 Vb(Abramov) -0.4537782E-01 Hb(Abramov) -0.8466140E-03 Ex_ueg -0.1127536E-01 Ec_ueg -0.2055168E-02 Delta_ex -0.1386081E-01 Delta_ec 0.5169353E-02 Delta_et -0.5251364E-01 Pxc 0.5486346E+01 Qxc -0.2681343E+01 3,-1 109 3 +3 1.086048 1.112017 1.112274 Rho 0.4924344E-02 |GRAD(Rho)| 0.5320101E-17 GRAD(Rho)x -0.2537163E-17 GRAD(Rho)y -0.4317578E-17 GRAD(Rho)z 0.1795774E-17 Laplacian 0.2018280E-01 (-1/4)Del**2(Rho)) -0.5045701E-02 Diamond 0.1478498E-03 Metallicity 0.4866450E+00 Ellipticity -0.8770564E-01 Gb(Abramov) 0.3773045E-02 Vb(Abramov) -0.2500389E-02 Hb(Abramov) 0.1272656E-02 Ex_ueg -0.6187514E-03 Ec_ueg -0.1436584E-03 Delta_ex -0.7036630E-03 Delta_ec 0.1055206E-03 Delta_et -0.7850889E-03 Pxc 0.4307101E+01 Qxc -0.6668490E+01 3,+3 110 3 -1 -0.562110 1.803403 -2.783803 Rho 0.1450696E+00 |GRAD(Rho)| 0.4509440E-15 GRAD(Rho)x -0.2907017E-16 GRAD(Rho)y -0.4203994E-15 GRAD(Rho)z -0.1605297E-15 Laplacian 0.6146145E+00 (-1/4)Del**2(Rho)) -0.1536536E+00 Diamond 0.1200111E+01 Metallicity 0.4490600E+01 Ellipticity 0.9661150E-02 Gb(Abramov) 0.2174352E+00 Vb(Abramov) -0.2812168E+00 Hb(Abramov) -0.6378162E-01 Ex_ueg -0.5629722E-01 Ec_ueg -0.8128648E-02 Delta_ex -0.6550250E-01 Delta_ec 0.1579058E-01 Delta_et -0.2093561E+00 Pxc 0.6925779E+01 Qxc -0.4148200E+01 3,-1 111 3 +3 0.037987 2.351674 -0.023097 Rho 0.4631369E-02 |GRAD(Rho)| 0.1990126E-15 GRAD(Rho)x 0.7071580E-16 GRAD(Rho)y -0.1493651E-15 GRAD(Rho)z -0.1108845E-15 Laplacian 0.1954676E-01 (-1/4)Del**2(Rho)) -0.4886691E-02 Diamond 0.1843312E-03 Metallicity 0.4536497E+00 Ellipticity -0.3210856E+00 Gb(Abramov) 0.3627268E-02 Vb(Abramov) -0.2367846E-02 Hb(Abramov) 0.1259423E-02 Ex_ueg -0.5701611E-03 Ec_ueg -0.1310838E-03 Delta_ex -0.7243145E-03 Delta_ec 0.1988690E-03 Delta_et -0.1225198E-02 Pxc 0.4349594E+01 Qxc -0.3642169E+01 3,+3 112 3 -1 -0.500495 1.705416 1.674039 Rho 0.3746535E-01 |GRAD(Rho)| 0.3464824E-16 GRAD(Rho)x -0.1110958E-16 GRAD(Rho)y 0.3177348E-16 GRAD(Rho)z 0.8217278E-17 Laplacian 0.1467737E+00 (-1/4)Del**2(Rho)) -0.3669342E-01 Diamond 0.4914527E-01 Metallicity 0.1969464E+01 Ellipticity 0.1521723E-01 Gb(Abramov) 0.3650667E-01 Vb(Abramov) -0.3631993E-01 Hb(Abramov) 0.1867464E-03 Ex_ueg -0.9258873E-02 Ec_ueg -0.1734730E-02 Delta_ex -0.1117283E-01 Delta_ec 0.4256427E-02 Delta_et -0.4154943E-01 Pxc 0.5337358E+01 Qxc -0.2624931E+01 3,-1 113 3 -1 -0.834885 1.974771 2.973823 Rho 0.1449409E+00 |GRAD(Rho)| 0.1912068E-15 GRAD(Rho)x 0.4878910E-18 GRAD(Rho)y 0.1899116E-15 GRAD(Rho)z 0.2221259E-16 Laplacian 0.5795488E+00 (-1/4)Del**2(Rho)) -0.1448872E+00 Diamond 0.1130030E+01 Metallicity 0.4755266E+01 Ellipticity 0.2874693E-01 Gb(Abramov) 0.2114210E+00 Vb(Abramov) -0.2779548E+00 Hb(Abramov) -0.6653380E-01 Ex_ueg -0.5623065E-01 Ec_ueg -0.8120451E-02 Delta_ex -0.6174775E-01 Delta_ec 0.1488538E-01 Delta_et -0.1973127E+00 Pxc 0.6924572E+01 Qxc -0.4148213E+01 3,-1 114 3 +1 -1.983101 1.982296 1.995230 Rho 0.1296733E-01 |GRAD(Rho)| 0.5165416E-15 GRAD(Rho)x 0.2155605E-15 GRAD(Rho)y 0.4324004E-15 GRAD(Rho)z -0.1826986E-15 Laplacian 0.6279272E-01 (-1/4)Del**2(Rho)) -0.1569818E-01 Diamond 0.2315749E-02 Metallicity 0.7854557E+00 Ellipticity -0.1150761E+01 Gb(Abramov) 0.1252049E-01 Vb(Abramov) -0.9342802E-02 Hb(Abramov) 0.3177689E-02 Ex_ueg -0.2250018E-02 Ec_ueg -0.5044067E-03 Delta_ex -0.3024687E-02 Delta_ec 0.5904166E-03 Delta_et -0.4676729E-02 Pxc 0.4460722E+01 Qxc -0.5122970E+01 3,+1 115 3 -1 -0.556003 2.763302 -1.807484 Rho 0.1272085E+00 |GRAD(Rho)| 0.3613361E-15 GRAD(Rho)x -0.8071885E-16 GRAD(Rho)y -0.1756882E-15 GRAD(Rho)z -0.3052571E-15 Laplacian 0.5311304E+00 (-1/4)Del**2(Rho)) -0.1327826E+00 Diamond 0.8930821E+00 Metallicity 0.4174512E+01 Ellipticity 0.1248802E-01 Gb(Abramov) 0.1809055E+00 Vb(Abramov) -0.2290284E+00 Hb(Abramov) -0.4812288E-01 Ex_ueg -0.4725053E-01 Ec_ueg -0.7000921E-02 Delta_ex -0.5492345E-01 Delta_ec 0.1424955E-01 Delta_et -0.1853791E+00 Pxc 0.6749188E+01 Qxc -0.3854400E+01 3,-1 116 3 +1 0.142223 2.906762 -0.132993 Rho 0.5234232E-02 |GRAD(Rho)| 0.1434504E-14 GRAD(Rho)x 0.1030225E-14 GRAD(Rho)y 0.6630338E-16 GRAD(Rho)z -0.9960130E-15 Laplacian 0.2189582E-01 (-1/4)Del**2(Rho)) -0.5473955E-02 Diamond 0.5393293E-03 Metallicity 0.4966002E+00 Ellipticity -0.2805568E+01 Gb(Abramov) 0.4102365E-02 Vb(Abramov) -0.2730774E-02 Hb(Abramov) 0.1371590E-02 Ex_ueg -0.6712058E-03 Ec_ueg -0.1570066E-03 Delta_ex -0.1095098E-02 Delta_ec 0.6837118E-03 Delta_et -0.3766830E-02 Pxc 0.4275015E+01 Qxc -0.1601695E+01 3,+1 117 3 -1 -0.838345 2.962839 1.977630 Rho 0.1326606E+00 |GRAD(Rho)| 0.3564538E-15 GRAD(Rho)x -0.1219727E-17 GRAD(Rho)y 0.1020302E-15 GRAD(Rho)z -0.3415372E-15 Laplacian 0.5315879E+00 (-1/4)Del**2(Rho)) -0.1328970E+00 Diamond 0.9366415E+00 Metallicity 0.4473096E+01 Ellipticity 0.3680838E-01 Gb(Abramov) 0.1876748E+00 Vb(Abramov) -0.2424526E+00 Hb(Abramov) -0.5477782E-01 Ex_ueg -0.4996982E-01 Ec_ueg -0.7342965E-02 Delta_ex -0.5548737E-01 Delta_ec 0.1404853E-01 Delta_et -0.1839033E+00 Pxc 0.6805129E+01 Qxc -0.3949691E+01 3,-1 118 3 -1 -0.051455 3.189227 -3.206605 Rho 0.2566897E+00 |GRAD(Rho)| 0.1546304E-13 GRAD(Rho)x -0.1008660E-13 GRAD(Rho)y 0.1167772E-13 GRAD(Rho)z 0.9984418E-15 Laplacian 0.9241548E+00 (-1/4)Del**2(Rho)) -0.2310387E+00 Diamond 0.3535940E+01 Metallicity 0.7730645E+01 Ellipticity 0.2406462E-02 Gb(Abramov) 0.4517055E+00 Vb(Abramov) -0.6723723E+00 Hb(Abramov) -0.2206668E+00 Ex_ueg -0.1204841E+00 Ec_ueg -0.1560044E-01 Delta_ex -0.1136028E+00 Delta_ec 0.1993542E-01 Delta_et -0.2762619E+00 Pxc 0.7723117E+01 Qxc -0.5698542E+01 3,-1 119 3 -1 0.059040 3.203613 3.205146 Rho 0.2572439E+00 |GRAD(Rho)| 0.2001875E-14 GRAD(Rho)x -0.3761910E-15 GRAD(Rho)y -0.1546940E-14 GRAD(Rho)z -0.1213656E-14 Laplacian 0.9194410E+00 (-1/4)Del**2(Rho)) -0.2298602E+00 Diamond 0.3535486E+01 Metallicity 0.7798260E+01 Ellipticity 0.1836152E-02 Gb(Abramov) 0.4519918E+00 Vb(Abramov) -0.6741234E+00 Hb(Abramov) -0.2221316E+00 Ex_ueg -0.1208310E+00 Ec_ueg -0.1563927E-01 Delta_ex -0.1131285E+00 Delta_ec 0.1989364E-01 Delta_et -0.2760442E+00 Pxc 0.7726129E+01 Qxc -0.5686665E+01 3,-1 120 3 -1 0.355938 0.372054 -0.380339 Rho 0.2023421E+00 |GRAD(Rho)| 0.2477607E-15 GRAD(Rho)x 0.2390396E-15 GRAD(Rho)y 0.2708009E-16 GRAD(Rho)z 0.5926275E-16 Laplacian 0.7264659E+00 (-1/4)Del**2(Rho)) -0.1816165E+00 Diamond 0.2348594E+01 Metallicity 0.6615178E+01 Ellipticity 0.2053947E-02 Gb(Abramov) 0.3213152E+00 Vb(Abramov) -0.4610139E+00 Hb(Abramov) -0.1396987E+00 Ex_ueg -0.8773373E-01 Ec_ueg -0.1187490E-01 Delta_ex -0.8569392E-01 Delta_ec 0.1990601E-01 Delta_et -0.2839298E+00 Pxc 0.7388166E+01 Qxc -0.4304928E+01 3,-1 121 3 +1 1.683428 -0.562588 -0.530957 Rho 0.8183233E-02 |GRAD(Rho)| 0.7334194E-15 GRAD(Rho)x -0.4684120E-15 GRAD(Rho)y 0.5642932E-15 GRAD(Rho)z 0.8212057E-17 Laplacian 0.3365253E-01 (-1/4)Del**2(Rho)) -0.8413133E-02 Diamond 0.9178815E-03 Metallicity 0.6804616E+00 Ellipticity -0.1462841E+01 Gb(Abramov) 0.6562891E-02 Vb(Abramov) -0.4712649E-02 Hb(Abramov) 0.1850242E-02 Ex_ueg -0.1217919E-02 Ec_ueg -0.2863716E-03 Delta_ex -0.1554910E-02 Delta_ec 0.5390688E-03 Delta_et -0.3583654E-02 Pxc 0.4252932E+01 Qxc -0.2884436E+01 3,+1 122 3 -1 3.208597 -0.066506 -3.197322 Rho 0.2562704E+00 |GRAD(Rho)| 0.3172080E-14 GRAD(Rho)x 0.2678955E-14 GRAD(Rho)y 0.1679348E-14 GRAD(Rho)z -0.2551128E-15 Laplacian 0.9185342E+00 (-1/4)Del**2(Rho)) -0.2296336E+00 Diamond 0.3511857E+01 Metallicity 0.7756789E+01 Ellipticity 0.1592550E-02 Gb(Abramov) 0.4499589E+00 Vb(Abramov) -0.6702842E+00 Hb(Abramov) -0.2203253E+00 Ex_ueg -0.1202217E+00 Ec_ueg -0.1557109E-01 Delta_ex -0.1128844E+00 Delta_ec 0.1986186E-01 Delta_et -0.2754181E+00 Pxc 0.7720833E+01 Qxc -0.5683477E+01 3,-1 123 3 +1 2.897447 -0.079730 0.065863 Rho 0.4746525E-02 |GRAD(Rho)| 0.1130901E-16 GRAD(Rho)x -0.2874612E-18 GRAD(Rho)y -0.8752978E-17 GRAD(Rho)z 0.7155170E-17 Laplacian 0.1949692E-01 (-1/4)Del**2(Rho)) -0.4874229E-02 Diamond 0.4564948E-03 Metallicity 0.4738130E+00 Ellipticity -0.4895461E+01 Gb(Abramov) 0.3634398E-02 Vb(Abramov) -0.2394567E-02 Hb(Abramov) 0.1239831E-02 Ex_ueg -0.5891413E-03 Ec_ueg -0.1360211E-03 Delta_ex -0.9921021E-03 Delta_ec 0.6717502E-03 Delta_et -0.3568085E-02 Pxc 0.4331249E+01 Qxc -0.1476891E+01 3,+1 124 3 -1 2.777360 0.580044 1.808393 Rho 0.1443272E+00 |GRAD(Rho)| 0.3921218E-12 GRAD(Rho)x 0.8812107E-13 GRAD(Rho)y 0.2583825E-12 GRAD(Rho)z -0.2814829E-12 Laplacian 0.6111963E+00 (-1/4)Del**2(Rho)) -0.1527991E+00 Diamond 0.1185775E+01 Metallicity 0.4477266E+01 Ellipticity 0.8215080E-02 Gb(Abramov) 0.2158864E+00 Vb(Abramov) -0.2789737E+00 Hb(Abramov) -0.6308732E-01 Ex_ueg -0.5591342E-01 Ec_ueg -0.8081369E-02 Delta_ex -0.6505311E-01 Delta_ec 0.1571637E-01 Delta_et -0.2082025E+00 Pxc 0.6918805E+01 Qxc -0.4139194E+01 3,-1 125 3 -1 3.200915 0.057655 3.192720 Rho 0.2563442E+00 |GRAD(Rho)| 0.3405887E-10 GRAD(Rho)x 0.2380288E-10 GRAD(Rho)y 0.5631964E-11 GRAD(Rho)z 0.2370044E-10 Laplacian 0.9196432E+00 (-1/4)Del**2(Rho)) -0.2299108E+00 Diamond 0.3516499E+01 Metallicity 0.7751154E+01 Ellipticity 0.1159576E-02 Gb(Abramov) 0.4502862E+00 Vb(Abramov) -0.6706616E+00 Hb(Abramov) -0.2203754E+00 Ex_ueg -0.1202679E+00 Ec_ueg -0.1557625E-01 Delta_ex -0.1130253E+00 Delta_ec 0.1987697E-01 Delta_et -0.2755945E+00 Pxc 0.7721235E+01 Qxc -0.5686245E+01 3,-1 126 3 +1 1.246579 1.123950 -2.125293 Rho 0.2534493E-01 |GRAD(Rho)| 0.1751812E-14 GRAD(Rho)x 0.1811783E-15 GRAD(Rho)y 0.1654581E-14 GRAD(Rho)z -0.5462424E-15 Laplacian 0.1008575E+00 (-1/4)Del**2(Rho)) -0.2521438E-01 Diamond 0.1424261E-01 Metallicity 0.1494135E+01 Ellipticity -0.5142499E+01 Gb(Abramov) 0.2308854E-01 Vb(Abramov) -0.2096269E-01 Hb(Abramov) 0.2125844E-02 Ex_ueg -0.5498444E-02 Ec_ueg -0.1106096E-02 Delta_ex -0.6381151E-02 Delta_ec 0.1863858E-02 Delta_et -0.1647395E-01 Pxc 0.4971035E+01 Qxc -0.3423624E+01 3,+1 127 3 -1 2.973500 0.835563 -1.976725 Rho 0.1442097E+00 |GRAD(Rho)| 0.3040720E-15 GRAD(Rho)x -0.5353248E-17 GRAD(Rho)y -0.2427393E-15 GRAD(Rho)z -0.1830540E-15 Laplacian 0.5756188E+00 (-1/4)Del**2(Rho)) -0.1439047E+00 Diamond 0.1116149E+01 Metallicity 0.4747546E+01 Ellipticity 0.3028335E-01 Gb(Abramov) 0.2098022E+00 Vb(Abramov) -0.2756996E+00 Hb(Abramov) -0.6589746E-01 Ex_ueg -0.5585274E-01 Ec_ueg -0.8073890E-02 Delta_ex -0.6125936E-01 Delta_ec 0.1481366E-01 Delta_et -0.1962404E+00 Pxc 0.6917699E+01 Qxc -0.4135328E+01 3,-1 128 3 -1 1.801239 2.783735 0.576053 Rho 0.1418098E+00 |GRAD(Rho)| 0.2762946E-12 GRAD(Rho)x 0.2020745E-12 GRAD(Rho)y -0.5876006E-13 GRAD(Rho)z -0.1790303E-12 Laplacian 0.5983683E+00 (-1/4)Del**2(Rho)) -0.1495921E+00 Diamond 0.1136544E+01 Metallicity 0.4441078E+01 Ellipticity 0.9040355E-02 Gb(Abramov) 0.2104531E+00 Vb(Abramov) -0.2713141E+00 Hb(Abramov) -0.6086100E-01 Ex_ueg -0.5461687E-01 Ec_ueg -0.7921304E-02 Delta_ex -0.6341414E-01 Delta_ec 0.1545166E-01 Delta_et -0.2041607E+00 Pxc 0.6894935E+01 Qxc -0.4104035E+01 3,-1 129 3 -1 1.684576 1.692465 -0.495206 Rho 0.4011258E-01 |GRAD(Rho)| 0.1279390E-15 GRAD(Rho)x -0.7814895E-16 GRAD(Rho)y -0.8129992E-16 GRAD(Rho)z -0.6042733E-16 Laplacian 0.1597369E+00 (-1/4)Del**2(Rho)) -0.3993424E-01 Diamond 0.5910890E-01 Metallicity 0.2027724E+01 Ellipticity 0.1102433E-01 Gb(Abramov) 0.4011876E-01 Vb(Abramov) -0.4030328E-01 Hb(Abramov) -0.1845209E-03 Ex_ueg -0.1014127E-01 Ec_ueg -0.1876105E-02 Delta_ex -0.1239195E-01 Delta_ec 0.4673433E-02 Delta_et -0.4647015E-01 Pxc 0.5405493E+01 Qxc -0.2651574E+01 3,-1 130 3 -1 -3.175606 0.042258 -3.204969 Rho 0.2557347E+00 |GRAD(Rho)| 0.1166950E-15 GRAD(Rho)x 0.1123233E-15 GRAD(Rho)y -0.1371516E-16 GRAD(Rho)z -0.2851452E-16 Laplacian 0.9266701E+00 (-1/4)Del**2(Rho)) -0.2316675E+00 Diamond 0.3526742E+01 Metallicity 0.7661914E+01 Ellipticity 0.2449125E-02 Gb(Abramov) 0.4502812E+00 Vb(Abramov) -0.6688948E+00 Hb(Abramov) -0.2186136E+00 Ex_ueg -0.1198867E+00 Ec_ueg -0.1553358E-01 Delta_ex -0.1137859E+00 Delta_ec 0.1998688E-01 Delta_et -0.2768373E+00 Pxc 0.7717908E+01 Qxc -0.5693029E+01 3,-1 131 3 -1 -2.939596 1.954806 0.834837 Rho 0.1535031E+00 |GRAD(Rho)| 0.2630042E-12 GRAD(Rho)x 0.2137498E-12 GRAD(Rho)y 0.3797520E-13 GRAD(Rho)z -0.1484592E-12 Laplacian 0.6060394E+00 (-1/4)Del**2(Rho)) -0.1515099E+00 Diamond 0.1258479E+01 Metallicity 0.5003886E+01 Ellipticity 0.2623389E-01 Gb(Abramov) 0.2273629E+00 Vb(Abramov) -0.3032160E+00 Hb(Abramov) -0.7585307E-01 Ex_ueg -0.6070268E-01 Ec_ueg -0.8668137E-02 Delta_ex -0.6541341E-01 Delta_ec 0.1521615E-01 Delta_et -0.2030269E+00 Pxc 0.7002967E+01 Qxc -0.4298946E+01 3,-1 132 3 -1 -1.955240 2.937526 0.831731 Rho 0.1564766E+00 |GRAD(Rho)| 0.1930672E-11 GRAD(Rho)x 0.1025653E-11 GRAD(Rho)y 0.8399369E-12 GRAD(Rho)z 0.1403579E-11 Laplacian 0.6200630E+00 (-1/4)Del**2(Rho)) -0.1550158E+00 Diamond 0.1315336E+01 Metallicity 0.5049629E+01 Ellipticity 0.2451083E-01 Gb(Abramov) 0.2338059E+00 Vb(Abramov) -0.3125960E+00 Hb(Abramov) -0.7879010E-01 Ex_ueg -0.6227553E-01 Ec_ueg -0.8859388E-02 Delta_ex -0.6722367E-01 Delta_ec 0.1545506E-01 Delta_et -0.2066440E+00 Pxc 0.7029327E+01 Qxc -0.4349621E+01 3,-1 133 3 -1 -2.738211 1.779835 -0.561526 Rho 0.1663420E+00 |GRAD(Rho)| 0.6862095E-09 GRAD(Rho)x 0.1642719E-09 GRAD(Rho)y 0.4920211E-09 GRAD(Rho)z 0.4492365E-09 Laplacian 0.7035831E+00 (-1/4)Del**2(Rho)) -0.1758958E+00 Diamond 0.1599753E+01 Metallicity 0.4927585E+01 Ellipticity 0.1567566E-01 Gb(Abramov) 0.2617207E+00 Vb(Abramov) -0.3475457E+00 Hb(Abramov) -0.8582496E-01 Ex_ueg -0.6756485E-01 Ec_ueg -0.9497714E-02 Delta_ex -0.7739021E-01 Delta_ec 0.1716548E-01 Delta_et -0.2309927E+00 Pxc 0.7113801E+01 Qxc -0.4508479E+01 3,-1 134 3 +1 -0.571757 -1.676600 0.525603 Rho 0.8436107E-02 |GRAD(Rho)| 0.2088094E-16 GRAD(Rho)x -0.4811582E-17 GRAD(Rho)y -0.1561743E-16 GRAD(Rho)z 0.1299839E-16 Laplacian 0.3486631E-01 (-1/4)Del**2(Rho)) -0.8716578E-02 Diamond 0.9768776E-03 Metallicity 0.6909458E+00 Ellipticity -0.1453673E+01 Gb(Abramov) 0.6814832E-02 Vb(Abramov) -0.4913087E-02 Hb(Abramov) 0.1901745E-02 Ex_ueg -0.1268356E-02 Ec_ueg -0.2976531E-03 Delta_ex -0.1616512E-02 Delta_ec 0.5467162E-03 Delta_et -0.3672492E-02 Pxc 0.4261189E+01 Qxc -0.2956767E+01 3,+1 135 3 -1 -1.708176 0.504987 1.673245 Rho 0.3661693E-01 |GRAD(Rho)| 0.8781063E-13 GRAD(Rho)x -0.8015451E-13 GRAD(Rho)y 0.3525169E-13 GRAD(Rho)z 0.6578724E-14 Laplacian 0.1431445E+00 (-1/4)Del**2(Rho)) -0.3578611E-01 Diamond 0.4631912E-01 Metallicity 0.1943756E+01 Ellipticity 0.1382904E-01 Gb(Abramov) 0.3545065E-01 Vb(Abramov) -0.3511520E-01 Hb(Abramov) 0.3354580E-03 Ex_ueg -0.8980370E-02 Ec_ueg -0.1689702E-02 Delta_ex -0.1082572E-01 Delta_ec 0.4135391E-02 Delta_et -0.4011775E-01 Pxc 0.5314767E+01 Qxc -0.2617822E+01 3,-1 136 3 -1 0.469213 -1.669682 1.691874 Rho 0.3975847E-01 |GRAD(Rho)| 0.1485813E-15 GRAD(Rho)x 0.6143128E-16 GRAD(Rho)y 0.9990965E-16 GRAD(Rho)z -0.9121761E-16 Laplacian 0.1582143E+00 (-1/4)Del**2(Rho)) -0.3955359E-01 Diamond 0.5811719E-01 Metallicity 0.2017205E+01 Ellipticity 0.1287327E-01 Gb(Abramov) 0.3966700E-01 Vb(Abramov) -0.3978042E-01 Hb(Abramov) -0.1134190E-03 Ex_ueg -0.1002208E-01 Ec_ueg -0.1857118E-02 Delta_ex -0.1226280E-01 Delta_ec 0.4657730E-02 Delta_et -0.4620716E-01 Pxc 0.5396576E+01 Qxc -0.2632785E+01 3,-1 137 3 +1 1.170284 -1.155938 2.113733 Rho 0.2550688E-01 |GRAD(Rho)| 0.2421132E-14 GRAD(Rho)x 0.4868679E-15 GRAD(Rho)y -0.1035121E-14 GRAD(Rho)z 0.2133861E-14 Laplacian 0.1039942E+00 (-1/4)Del**2(Rho)) -0.2599854E-01 Diamond 0.1551075E-01 Metallicity 0.1464535E+01 Ellipticity -0.7326674E+01 Gb(Abramov) 0.2367832E-01 Vb(Abramov) -0.2135810E-01 Hb(Abramov) 0.2320220E-02 Ex_ueg -0.5545339E-02 Ec_ueg -0.1114268E-02 Delta_ex -0.6664269E-02 Delta_ec 0.2053233E-02 Delta_et -0.1815054E-01 Pxc 0.4976664E+01 Qxc -0.3245744E+01 3,+1 138 3 -1 1.816710 -0.581961 -2.784337 Rho 0.1439800E+00 |GRAD(Rho)| 0.1649849E-15 GRAD(Rho)x 0.9376994E-16 GRAD(Rho)y -0.5313946E-16 GRAD(Rho)z 0.1249136E-15 Laplacian 0.6043214E+00 (-1/4)Del**2(Rho)) -0.1510803E+00 Diamond 0.1167405E+01 Metallicity 0.4510058E+01 Ellipticity 0.1119811E-01 Gb(Abramov) 0.2142838E+00 Vb(Abramov) -0.2774872E+00 Hb(Abramov) -0.6320341E-01 Ex_ueg -0.5573414E-01 Ec_ueg -0.8059268E-02 Delta_ex -0.6426624E-01 Delta_ec 0.1551787E-01 Delta_et -0.2054334E+00 Pxc 0.6915534E+01 Qxc -0.4141433E+01 3,-1 139 3 -1 1.984783 0.836187 -2.982413 Rho 0.1365415E+00 |GRAD(Rho)| 0.2634334E-13 GRAD(Rho)x -0.1791372E-13 GRAD(Rho)y 0.2303943E-14 GRAD(Rho)z 0.1917712E-13 Laplacian 0.5465100E+00 (-1/4)Del**2(Rho)) -0.1366275E+00 Diamond 0.9941970E+00 Metallicity 0.4565159E+01 Ellipticity 0.2312941E-01 Gb(Abramov) 0.1950394E+00 Vb(Abramov) -0.2534513E+00 Hb(Abramov) -0.5841188E-01 Ex_ueg -0.5192834E-01 Ec_ueg -0.7587622E-02 Delta_ex -0.5741360E-01 Delta_ec 0.1428932E-01 Delta_et -0.1878092E+00 Pxc 0.6843823E+01 Qxc -0.4017936E+01 3,-1 140 3 +1 2.109672 1.172845 -1.196676 Rho 0.2583457E-01 |GRAD(Rho)| 0.2158103E-16 GRAD(Rho)x 0.1091081E-16 GRAD(Rho)y 0.2239884E-17 GRAD(Rho)z -0.1848453E-16 Laplacian 0.1051773E+00 (-1/4)Del**2(Rho)) -0.2629433E-01 Diamond 0.1599825E-01 Metallicity 0.1479199E+01 Ellipticity -0.8124883E+01 Gb(Abramov) 0.2401197E-01 Vb(Abramov) -0.2172962E-01 Hb(Abramov) 0.2282353E-02 Ex_ueg -0.5640532E-02 Ec_ueg -0.1130825E-02 Delta_ex -0.6766096E-02 Delta_ec 0.2082853E-02 Delta_et -0.1847152E-01 Pxc 0.4987981E+01 Qxc -0.3248475E+01 3,+1 141 3 -1 1.812267 0.584129 2.789198 Rho 0.1381566E+00 |GRAD(Rho)| 0.2704686E-13 GRAD(Rho)x 0.6790358E-15 GRAD(Rho)y 0.2637056E-13 GRAD(Rho)z -0.5972009E-14 Laplacian 0.5848984E+00 (-1/4)Del**2(Rho)) -0.1462246E+00 Diamond 0.1079542E+01 Metallicity 0.4349960E+01 Ellipticity 0.7621942E-02 Gb(Abramov) 0.2034949E+00 Vb(Abramov) -0.2607653E+00 Hb(Abramov) -0.5727032E-01 Ex_ueg -0.5274894E-01 Ec_ueg -0.7689729E-02 Delta_ex -0.6162614E-01 Delta_ec 0.1525705E-01 Delta_et -0.2009097E+00 Pxc 0.6859662E+01 Qxc -0.4039192E+01 3,-1 142 3 +3 1.845354 1.840378 -1.853889 Rho 0.1246683E-01 |GRAD(Rho)| 0.3122728E-14 GRAD(Rho)x 0.2678044E-14 GRAD(Rho)y -0.1118887E-14 GRAD(Rho)z 0.1152217E-14 Laplacian 0.5717860E-01 (-1/4)Del**2(Rho)) -0.1429465E-01 Diamond 0.1324457E-02 Metallicity 0.8078042E+00 Ellipticity -0.7292980E+00 Gb(Abramov) 0.1145431E-01 Vb(Abramov) -0.8613976E-02 Hb(Abramov) 0.2840337E-02 Ex_ueg -0.2134975E-02 Ec_ueg -0.4811620E-03 Delta_ex -0.2539744E-02 Delta_ec 0.2077766E-03 Delta_et -0.1974700E-02 Pxc 0.4437124E+01 Qxc -0.1222344E+02 3,+3 143 3 +1 1.749970 1.759698 1.761776 Rho 0.1243537E-01 |GRAD(Rho)| 0.2685329E-16 GRAD(Rho)x -0.1444520E-16 GRAD(Rho)y 0.1686244E-16 GRAD(Rho)z -0.1510277E-16 Laplacian 0.6297045E-01 (-1/4)Del**2(Rho)) -0.1574261E-01 Diamond 0.2639517E-02 Metallicity 0.7304231E+00 Ellipticity -0.1245008E+01 Gb(Abramov) 0.1241154E-01 Vb(Abramov) -0.9080460E-02 Hb(Abramov) 0.3331076E-02 Ex_ueg -0.2127797E-02 Ec_ueg -0.4797045E-03 Delta_ex -0.3121756E-02 Delta_ec 0.8123663E-03 Delta_et -0.6148389E-02 Pxc 0.4435641E+01 Qxc -0.3842794E+01 3,+1 144 3 +1 1.986900 1.983933 -1.995555 Rho 0.1266699E-01 |GRAD(Rho)| 0.1615481E-14 GRAD(Rho)x 0.1461146E-14 GRAD(Rho)y -0.4747470E-15 GRAD(Rho)z 0.4994475E-15 Laplacian 0.5978155E-01 (-1/4)Del**2(Rho)) -0.1494539E-01 Diamond 0.2096305E-02 Metallicity 0.7934171E+00 Ellipticity -0.1147755E+01 Gb(Abramov) 0.1193991E-01 Vb(Abramov) -0.8934437E-02 Hb(Abramov) 0.3005475E-02 Ex_ueg -0.2180802E-02 Ec_ueg -0.4904463E-03 Delta_ex -0.2850796E-02 Delta_ec 0.5437730E-03 Delta_et -0.4304678E-02 Pxc 0.4446565E+01 Qxc -0.5242621E+01 3,+1 145 3 -1 -4.108402 3.932646 -0.881859 Rho 0.3267595E+00 |GRAD(Rho)| 0.2145473E-13 GRAD(Rho)x 0.1306258E-13 GRAD(Rho)y 0.9041939E-14 GRAD(Rho)z 0.1441935E-13 Laplacian -0.1823049E+01 (-1/4)Del**2(Rho)) 0.4557623E+00 Diamond 0.6391766E+01 Metallicity -0.5859518E+01 Ellipticity 0.1861488E-02 Gb(Abramov) 0.1412497E+00 Vb(Abramov) -0.7382618E+00 Hb(Abramov) -0.5970120E+00 Ex_ueg -0.1662224E+00 Ec_ueg -0.2064336E-01 Delta_ex 0.1835384E+00 Delta_ec 0.6271490E-01 Delta_et -0.1504834E+01 Pxc 0.8052096E+01 Qxc 0.2926551E+01 3,-1 146 3 -1 -3.184652 3.181089 -0.095657 Rho 0.1780726E+00 |GRAD(Rho)| 0.1802638E-14 GRAD(Rho)x -0.7157090E-15 GRAD(Rho)y 0.1637958E-14 GRAD(Rho)z 0.2331441E-15 Laplacian 0.6921595E+00 (-1/4)Del**2(Rho)) -0.1730399E+00 Diamond 0.1750889E+01 Metallicity 0.5611368E+01 Ellipticity 0.1136429E+00 Gb(Abramov) 0.2771916E+00 Vb(Abramov) -0.3813434E+00 Hb(Abramov) -0.1041518E+00 Ex_ueg -0.7399138E-01 Ec_ueg -0.1026418E-01 Delta_ex -0.7778634E-01 Delta_ec 0.1719598E-01 Delta_et -0.2349540E+00 Pxc 0.7208701E+01 Qxc -0.4523520E+01 3,-1 147 3 +1 -2.106207 0.995762 1.361266 Rho 0.2657724E-01 |GRAD(Rho)| 0.1083596E-14 GRAD(Rho)x -0.6332482E-15 GRAD(Rho)y -0.6379512E-15 GRAD(Rho)z 0.6051406E-15 Laplacian 0.1039764E+00 (-1/4)Del**2(Rho)) -0.2599410E-01 Diamond 0.1332607E-01 Metallicity 0.1568658E+01 Ellipticity -0.2621338E+01 Gb(Abramov) 0.2412537E-01 Vb(Abramov) -0.2225665E-01 Hb(Abramov) 0.1868726E-02 Ex_ueg -0.5857760E-02 Ec_ueg -0.1168449E-02 Delta_ex -0.6426562E-02 Delta_ec 0.1502021E-02 Delta_et -0.1350664E-01 Pxc 0.5013278E+01 Qxc -0.4278611E+01 3,+1 148 3 -1 -1.989770 -2.966967 -0.837612 Rho 0.1329476E+00 |GRAD(Rho)| 0.3913074E-15 GRAD(Rho)x -0.2236506E-15 GRAD(Rho)y 0.2926668E-16 GRAD(Rho)z 0.3197583E-15 Laplacian 0.5244266E+00 (-1/4)Del**2(Rho)) -0.1311067E+00 Diamond 0.9147474E+00 Metallicity 0.4550538E+01 Ellipticity 0.3961688E-01 Gb(Abramov) 0.1868387E+00 Vb(Abramov) -0.2425708E+00 Hb(Abramov) -0.5573209E-01 Ex_ueg -0.5011402E-01 Ec_ueg -0.7361024E-02 Delta_ex -0.5463177E-01 Delta_ec 0.1360816E-01 Delta_et -0.1777352E+00 Pxc 0.6808022E+01 Qxc -0.4014634E+01 3,-1 149 3 -1 -0.827455 -2.977879 -1.986387 Rho 0.1347752E+00 |GRAD(Rho)| 0.9435208E-16 GRAD(Rho)x 0.1057097E-17 GRAD(Rho)y 0.6881973E-16 GRAD(Rho)z -0.6453713E-16 Laplacian 0.5316320E+00 (-1/4)Del**2(Rho)) -0.1329080E+00 Diamond 0.9413219E+00 Metallicity 0.4592179E+01 Ellipticity 0.4351940E-01 Gb(Abramov) 0.1903282E+00 Vb(Abramov) -0.2477485E+00 Hb(Abramov) -0.5742023E-01 Ex_ueg -0.5103465E-01 Ec_ueg -0.7476153E-02 Delta_ex -0.5555072E-01 Delta_ec 0.1372243E-01 Delta_et -0.1795564E+00 Pxc 0.6826325E+01 Qxc -0.4048168E+01 3,-1 150 3 -1 0.501879 1.683495 -1.702506 Rho 0.4119986E-01 |GRAD(Rho)| 0.1086561E-13 GRAD(Rho)x -0.3115664E-14 GRAD(Rho)y 0.7338308E-14 GRAD(Rho)z -0.7382644E-14 Laplacian 0.1644068E+00 (-1/4)Del**2(Rho)) -0.4110170E-01 Diamond 0.6318301E-01 Metallicity 0.2059933E+01 Ellipticity 0.1283661E-01 Gb(Abramov) 0.4151225E-01 Vb(Abramov) -0.4192281E-01 Hb(Abramov) -0.4105548E-03 Ex_ueg -0.1050944E-01 Ec_ueg -0.1934545E-02 Delta_ex -0.1284461E-01 Delta_ec 0.4818404E-02 Delta_et -0.4825723E-01 Pxc 0.5432510E+01 Qxc -0.2665740E+01 3,-1 151 3 +1 1.209458 2.115422 -1.161172 Rho 0.2593313E-01 |GRAD(Rho)| 0.2386535E-15 GRAD(Rho)x 0.1868534E-15 GRAD(Rho)y 0.3937422E-16 GRAD(Rho)z 0.1431467E-15 Laplacian 0.1048401E+00 (-1/4)Del**2(Rho)) -0.2621002E-01 Diamond 0.1569482E-01 Metallicity 0.1493405E+01 Ellipticity -0.6550617E+01 Gb(Abramov) 0.2399704E-01 Vb(Abramov) -0.2178406E-01 Hb(Abramov) 0.2212979E-02 Ex_ueg -0.5669242E-02 Ec_ueg -0.1135810E-02 Delta_ex -0.6716389E-02 Delta_ec 0.2014185E-02 Delta_et -0.1789087E-01 Pxc 0.4991366E+01 Qxc -0.3334544E+01 3,+1 152 3 -1 0.850166 2.967227 -1.987626 Rho 0.1459290E+00 |GRAD(Rho)| 0.6799145E-12 GRAD(Rho)x -0.4753664E-12 GRAD(Rho)y -0.2310265E-12 GRAD(Rho)z -0.4277116E-12 Laplacian 0.5825865E+00 (-1/4)Del**2(Rho)) -0.1456466E+00 Diamond 0.1146373E+01 Metallicity 0.4784341E+01 Ellipticity 0.3076895E-01 Gb(Abramov) 0.2132349E+00 Vb(Abramov) -0.2808232E+00 Hb(Abramov) -0.6758831E-01 Ex_ueg -0.5674234E-01 Ec_ueg -0.8183423E-02 Delta_ex -0.6218613E-01 Delta_ec 0.1495895E-01 Delta_et -0.1985289E+00 Pxc 0.6933814E+01 Qxc -0.4157119E+01 3,-1 153 3 -1 2.977333 -1.985800 0.835246 Rho 0.1342446E+00 |GRAD(Rho)| 0.1297101E-12 GRAD(Rho)x -0.3307918E-13 GRAD(Rho)y -0.8387317E-13 GRAD(Rho)z -0.9325114E-13 Laplacian 0.5352806E+00 (-1/4)Del**2(Rho)) -0.1338202E+00 Diamond 0.9421848E+00 Metallicity 0.4530990E+01 Ellipticity 0.3881582E-01 Gb(Abramov) 0.1902697E+00 Vb(Abramov) -0.2467193E+00 Hb(Abramov) -0.5644958E-01 Ex_ueg -0.5076693E-01 Ec_ueg -0.7442705E-02 Delta_ex -0.5586555E-01 Delta_ec 0.1380679E-01 Delta_et -0.1805043E+00 Pxc 0.6821032E+01 Qxc -0.4046237E+01 3,-1 154 3 -1 2.791335 -1.831437 -0.578397 Rho 0.1313603E+00 |GRAD(Rho)| 0.1439468E-15 GRAD(Rho)x 0.2806051E-16 GRAD(Rho)y 0.1369754E-15 GRAD(Rho)z -0.3422013E-16 Laplacian 0.5564232E+00 (-1/4)Del**2(Rho)) -0.1391058E+00 Diamond 0.9517544E+00 Metallicity 0.4203859E+01 Ellipticity 0.9921378E-02 Gb(Abramov) 0.1902007E+00 Vb(Abramov) -0.2412956E+00 Hb(Abramov) -0.5109492E-01 Ex_ueg -0.4931782E-01 Ec_ueg -0.7261208E-02 Delta_ex -0.5773852E-01 Delta_ec 0.1437626E-01 Delta_et -0.1872124E+00 Pxc 0.6791958E+01 Qxc -0.4016242E+01 3,-1 155 3 -1 -2.962176 -0.853923 -1.988992 Rho 0.1484412E+00 |GRAD(Rho)| 0.1052650E-12 GRAD(Rho)x 0.4040640E-13 GRAD(Rho)y 0.7470312E-13 GRAD(Rho)z -0.6218917E-13 Laplacian 0.5906651E+00 (-1/4)Del**2(Rho)) -0.1476663E+00 Diamond 0.1188257E+01 Metallicity 0.4855077E+01 Ellipticity 0.3503019E-01 Gb(Abramov) 0.2179327E+00 Vb(Abramov) -0.2881991E+00 Hb(Abramov) -0.7026644E-01 Ex_ueg -0.5804852E-01 Ec_ueg -0.8343806E-02 Delta_ex -0.6333191E-01 Delta_ec 0.1513720E-01 Delta_et -0.2014655E+00 Pxc 0.6957080E+01 Qxc -0.4183859E+01 3,-1 156 3 -1 -1.793091 0.558115 -2.784530 Rho 0.1424262E+00 |GRAD(Rho)| 0.2248946E-15 GRAD(Rho)x -0.3206528E-16 GRAD(Rho)y 0.2133574E-15 GRAD(Rho)z -0.6346648E-16 Laplacian 0.6041986E+00 (-1/4)Del**2(Rho)) -0.1510496E+00 Diamond 0.1154744E+01 Metallicity 0.4430130E+01 Ellipticity 0.9781237E-02 Gb(Abramov) 0.2122280E+00 Vb(Abramov) -0.2734064E+00 Hb(Abramov) -0.6117837E-01 Ex_ueg -0.5493361E-01 Ec_ueg -0.7960456E-02 Delta_ex -0.6411186E-01 Delta_ec 0.1560728E-01 Delta_et -0.2063962E+00 Pxc 0.6900811E+01 Qxc -0.4107818E+01 3,-1 157 3 -1 -0.580209 -2.779744 1.809506 Rho 0.1445712E+00 |GRAD(Rho)| 0.7227224E-15 GRAD(Rho)x 0.5038830E-15 GRAD(Rho)y 0.4572623E-16 GRAD(Rho)z 0.5160802E-15 Laplacian 0.6088925E+00 (-1/4)Del**2(Rho)) -0.1522231E+00 Diamond 0.1183960E+01 Metallicity 0.4506876E+01 Ellipticity 0.9803057E-02 Gb(Abramov) 0.2158239E+00 Vb(Abramov) -0.2794246E+00 Hb(Abramov) -0.6360075E-01 Ex_ueg -0.5603949E-01 Ec_ueg -0.8096904E-02 Delta_ex -0.6483734E-01 Delta_ec 0.1565542E-01 Delta_et -0.2074567E+00 Pxc 0.6921101E+01 Qxc -0.4141527E+01 3,-1 158 3 -1 0.858556 1.969826 -2.994916 Rho 0.1533007E+00 |GRAD(Rho)| 0.2511351E-11 GRAD(Rho)x -0.1553665E-11 GRAD(Rho)y 0.1845393E-11 GRAD(Rho)z -0.6982361E-12 Laplacian 0.6086875E+00 (-1/4)Del**2(Rho)) -0.1521719E+00 Diamond 0.1271811E+01 Metallicity 0.4971174E+01 Ellipticity 0.3679592E-01 Gb(Abramov) 0.2275267E+00 Vb(Abramov) -0.3028816E+00 Hb(Abramov) -0.7535486E-01 Ex_ueg -0.6059599E-01 Ec_ueg -0.8655140E-02 Delta_ex -0.6577301E-01 Delta_ec 0.1545759E-01 Delta_et -0.2066183E+00 Pxc 0.7001157E+01 Qxc -0.4255062E+01 3,-1 159 3 +1 -0.993318 2.108815 1.362067 Rho 0.2681888E-01 |GRAD(Rho)| 0.3928465E-16 GRAD(Rho)x 0.1278363E-16 GRAD(Rho)y -0.3326901E-16 GRAD(Rho)z -0.1652379E-16 Laplacian 0.1054387E+00 (-1/4)Del**2(Rho)) -0.2635967E-01 Diamond 0.1362009E-01 Metallicity 0.1570414E+01 Ellipticity -0.2576305E+01 Gb(Abramov) 0.2447238E-01 Vb(Abramov) -0.2258509E-01 Hb(Abramov) 0.1887290E-02 Ex_ueg -0.5928878E-02 Ec_ueg -0.1180721E-02 Delta_ex -0.6526865E-02 Delta_ec 0.1511932E-02 Delta_et -0.1362602E-01 Pxc 0.5021406E+01 Qxc -0.4316904E+01 3,+1 160 3 -1 1.669501 -0.471153 1.692468 Rho 0.3923737E-01 |GRAD(Rho)| 0.1574341E-14 GRAD(Rho)x 0.1166769E-14 GRAD(Rho)y -0.9837300E-15 GRAD(Rho)z -0.3866216E-15 Laplacian 0.1556642E+00 (-1/4)Del**2(Rho)) -0.3891606E-01 Diamond 0.5606621E-01 Metallicity 0.2005660E+01 Ellipticity 0.1463170E-01 Gb(Abramov) 0.3895277E-01 Vb(Abramov) -0.3898948E-01 Hb(Abramov) -0.3671279E-04 Ex_ueg -0.9847323E-02 Ec_ueg -0.1829220E-02 Delta_ex -0.1201991E-01 Delta_ec 0.4572691E-02 Delta_et -0.4520165E-01 Pxc 0.5383346E+01 Qxc -0.2628629E+01 3,-1 161 3 -1 1.970784 2.974767 -0.843351 Rho 0.1429220E+00 |GRAD(Rho)| 0.5886634E-15 GRAD(Rho)x -0.5844256E-15 GRAD(Rho)y -0.5922454E-16 GRAD(Rho)z -0.3825878E-16 Laplacian 0.5703486E+00 (-1/4)Del**2(Rho)) -0.1425871E+00 Diamond 0.1096143E+01 Metallicity 0.4720320E+01 Ellipticity 0.2780638E-01 Gb(Abramov) 0.2072343E+00 Vb(Abramov) -0.2718814E+00 Hb(Abramov) -0.6464712E-01 Ex_ueg -0.5518876E-01 Ec_ueg -0.7991973E-02 Delta_ex -0.6058763E-01 Delta_ec 0.1474945E-01 Delta_et -0.1952150E+00 Pxc 0.6905524E+01 Qxc -0.4107788E+01 3,-1 162 3 -1 2.973056 -0.837882 1.974894 Rho 0.1459416E+00 |GRAD(Rho)| 0.1243912E-14 GRAD(Rho)x -0.7055852E-15 GRAD(Rho)y 0.1994796E-15 GRAD(Rho)z -0.1004825E-14 Laplacian 0.5828754E+00 (-1/4)Del**2(Rho)) -0.1457188E+00 Diamond 0.1150176E+01 Metallicity 0.4782655E+01 Ellipticity 0.2973700E-01 Gb(Abramov) 0.2132997E+00 Vb(Abramov) -0.2808806E+00 Hb(Abramov) -0.6758088E-01 Ex_ueg -0.5674884E-01 Ec_ueg -0.8184223E-02 Delta_ex -0.6225048E-01 Delta_ec 0.1502354E-01 Delta_et -0.1995153E+00 Pxc 0.6933932E+01 Qxc -0.4143530E+01 3,-1 163 3 -1 -1.979290 0.835330 2.972816 Rho 0.1426505E+00 |GRAD(Rho)| 0.1823803E-14 GRAD(Rho)x -0.8793015E-15 GRAD(Rho)y -0.1530839E-14 GRAD(Rho)z -0.4578382E-15 Laplacian 0.5706459E+00 (-1/4)Del**2(Rho)) -0.1426615E+00 Diamond 0.1091840E+01 Metallicity 0.4702930E+01 Ellipticity 0.2572493E-01 Gb(Abramov) 0.2069288E+00 Vb(Abramov) -0.2711961E+00 Hb(Abramov) -0.6426732E-01 Ex_ueg -0.5504899E-01 Ec_ueg -0.7974711E-02 Delta_ex -0.6056585E-01 Delta_ec 0.1471890E-01 Delta_et -0.1946595E+00 Pxc 0.6902945E+01 Qxc -0.4114835E+01 3,-1 164 3 -1 -0.823950 -2.000807 -2.981082 Rho 0.1203712E+00 |GRAD(Rho)| 0.9580548E-15 GRAD(Rho)x 0.1277055E-15 GRAD(Rho)y -0.8331552E-15 GRAD(Rho)z 0.4554259E-15 Laplacian 0.4784878E+00 (-1/4)Del**2(Rho)) -0.1196219E+00 Diamond 0.7402417E+00 Metallicity 0.4226169E+01 Ellipticity 0.2812118E-01 Gb(Abramov) 0.1640051E+00 Vb(Abramov) -0.2083882E+00 Hb(Abramov) -0.4438312E-01 Ex_ueg -0.4389503E-01 Ec_ueg -0.6574806E-02 Delta_ex -0.4866307E-01 Delta_ec 0.1270306E-01 Delta_et -0.1631994E+00 Pxc 0.6676248E+01 Qxc -0.3830814E+01 3,-1 165 3 -1 -0.584784 -1.810466 2.785235 Rho 0.1391072E+00 |GRAD(Rho)| 0.1162933E-15 GRAD(Rho)x 0.1036362E-15 GRAD(Rho)y -0.5275999E-16 GRAD(Rho)z -0.2371692E-18 Laplacian 0.5893847E+00 (-1/4)Del**2(Rho)) -0.1473462E+00 Diamond 0.1096232E+01 Metallicity 0.4366468E+01 Ellipticity 0.7427380E-02 Gb(Abramov) 0.2054612E+00 Vb(Abramov) -0.2635761E+00 Hb(Abramov) -0.5811499E-01 Ex_ueg -0.5323343E-01 Ec_ueg -0.7749906E-02 Delta_ex -0.6219582E-01 Delta_ec 0.1533699E-01 Delta_et -0.2021520E+00 Pxc 0.6868913E+01 Qxc -0.4055283E+01 3,-1 166 3 -1 0.585656 1.814143 2.798359 Rho 0.1504922E+00 |GRAD(Rho)| 0.1865386E-15 GRAD(Rho)x 0.7399680E-17 GRAD(Rho)y -0.1398350E-15 GRAD(Rho)z 0.1232399E-15 Laplacian 0.6347408E+00 (-1/4)Del**2(Rho)) -0.1586852E+00 Diamond 0.1293346E+01 Metallicity 0.4622461E+01 Ellipticity 0.1001837E-01 Gb(Abramov) 0.2280428E+00 Vb(Abramov) -0.2974004E+00 Hb(Abramov) -0.6935762E-01 Ex_ueg -0.5912034E-01 Ec_ueg -0.8475027E-02 Delta_ex -0.6823967E-01 Delta_ec 0.1612667E-01 Delta_et -0.2148565E+00 Pxc 0.6975829E+01 Qxc -0.4231479E+01 3,-1 167 3 -1 -2.969402 0.838923 1.979187 Rho 0.1360167E+00 |GRAD(Rho)| 0.1431782E-15 GRAD(Rho)x 0.1067533E-15 GRAD(Rho)y -0.8336159E-16 GRAD(Rho)z -0.4641741E-16 Laplacian 0.5453157E+00 (-1/4)Del**2(Rho)) -0.1363289E+00 Diamond 0.9890637E+00 Metallicity 0.4545890E+01 Ellipticity 0.3789484E-01 Gb(Abramov) 0.1941753E+00 Vb(Abramov) -0.2520218E+00 Hb(Abramov) -0.5784641E-01 Ex_ueg -0.5166242E-01 Ec_ueg -0.7554484E-02 Delta_ex -0.5725307E-01 Delta_ec 0.1430412E-01 Delta_et -0.1879553E+00 Pxc 0.6838644E+01 Qxc -0.4002558E+01 3,-1 168 3 -1 1.988605 -2.972758 0.833371 Rho 0.1340748E+00 |GRAD(Rho)| 0.2764436E-15 GRAD(Rho)x -0.1740009E-15 GRAD(Rho)y 0.2022715E-16 GRAD(Rho)z 0.2138589E-15 Laplacian 0.5340703E+00 (-1/4)Del**2(Rho)) -0.1335176E+00 Diamond 0.9386785E+00 Metallicity 0.4531687E+01 Ellipticity 0.3882054E-01 Gb(Abramov) 0.1898550E+00 Vb(Abramov) -0.2461925E+00 Hb(Abramov) -0.5633746E-01 Ex_ueg -0.5068132E-01 Ec_ueg -0.7432003E-02 Delta_ex -0.5572272E-01 Delta_ec 0.1378088E-01 Delta_et -0.1801324E+00 Pxc 0.6819334E+01 Qxc -0.4043480E+01 3,-1 169 3 -1 2.788969 -0.588470 -1.816363 Rho 0.1467019E+00 |GRAD(Rho)| 0.3032501E-15 GRAD(Rho)x 0.2022579E-15 GRAD(Rho)y 0.2030575E-15 GRAD(Rho)z -0.9909608E-16 Laplacian 0.6179994E+00 (-1/4)Del**2(Rho)) -0.1544998E+00 Diamond 0.1223396E+01 Metallicity 0.4550070E+01 Ellipticity 0.1113693E-01 Gb(Abramov) 0.2201641E+00 Vb(Abramov) -0.2858283E+00 Hb(Abramov) -0.6566425E-01 Ex_ueg -0.5714341E-01 Ec_ueg -0.8232725E-02 Delta_ex -0.6604739E-01 Delta_ec 0.1584029E-01 Delta_et -0.2103700E+00 Pxc 0.6941008E+01 Qxc -0.4169582E+01 3,-1 170 3 -1 1.973909 -0.835936 2.967985 Rho 0.1442613E+00 |GRAD(Rho)| 0.1112592E-15 GRAD(Rho)x -0.7593481E-16 GRAD(Rho)y 0.7772374E-16 GRAD(Rho)z 0.2390666E-16 Laplacian 0.5769535E+00 (-1/4)Del**2(Rho)) -0.1442384E+00 Diamond 0.1121092E+01 Metallicity 0.4739386E+01 Ellipticity 0.2840311E-01 Gb(Abramov) 0.2100925E+00 Vb(Abramov) -0.2759465E+00 Hb(Abramov) -0.6585409E-01 Ex_ueg -0.5587937E-01 Ec_ueg -0.8077172E-02 Delta_ex -0.6142642E-01 Delta_ec 0.1488182E-01 Delta_et -0.1972297E+00 Pxc 0.6918185E+01 Qxc -0.4127615E+01 3,-1 171 3 -1 3.191367 3.200256 0.058389 Rho 0.2563975E+00 |GRAD(Rho)| 0.9091510E-14 GRAD(Rho)x -0.2970714E-15 GRAD(Rho)y 0.6719777E-14 GRAD(Rho)z 0.6116527E-14 Laplacian 0.9198701E+00 (-1/4)Del**2(Rho)) -0.2299675E+00 Diamond 0.3517092E+01 Metallicity 0.7751926E+01 Ellipticity 0.9214676E-03 Gb(Abramov) 0.4504269E+00 Vb(Abramov) -0.6708862E+00 Hb(Abramov) -0.2204593E+00 Ex_ueg -0.1203012E+00 Ec_ueg -0.1557998E-01 Delta_ex -0.1130538E+00 Delta_ec 0.1987056E-01 Delta_et -0.2754581E+00 Pxc 0.7721525E+01 Qxc -0.5689511E+01 3,-1 172 3 -1 0.577278 2.780987 1.816157 Rho 0.1442973E+00 |GRAD(Rho)| 0.2238131E-13 GRAD(Rho)x 0.2185567E-13 GRAD(Rho)y -0.4800685E-14 GRAD(Rho)z 0.4539283E-15 Laplacian 0.6090845E+00 (-1/4)Del**2(Rho)) -0.1522711E+00 Diamond 0.1179130E+01 Metallicity 0.4491239E+01 Ellipticity 0.8679472E-02 Gb(Abramov) 0.2154951E+00 Vb(Abramov) -0.2787190E+00 Hb(Abramov) -0.6322395E-01 Ex_ueg -0.5589798E-01 Ec_ueg -0.8079466E-02 Delta_ex -0.6480142E-01 Delta_ec 0.1562064E-01 Delta_et -0.2068364E+00 Pxc 0.6918524E+01 Qxc -0.4148448E+01 3,-1 173 3 -1 -2.748000 0.551820 -1.806202 Rho 0.1198777E+00 |GRAD(Rho)| 0.1282245E-15 GRAD(Rho)x 0.5702226E-17 GRAD(Rho)y 0.5774732E-16 GRAD(Rho)z 0.1143427E-15 Laplacian 0.5005832E+00 (-1/4)Del**2(Rho)) -0.1251458E+00 Diamond 0.7853812E+00 Metallicity 0.4012059E+01 Ellipticity 0.1411777E-01 Gb(Abramov) 0.1671126E+00 Vb(Abramov) -0.2090794E+00 Hb(Abramov) -0.4196679E-01 Ex_ueg -0.4365521E-01 Ec_ueg -0.6544169E-02 Delta_ex -0.5105869E-01 Delta_ec 0.1365674E-01 Delta_et -0.1759139E+00 Pxc 0.6670856E+01 Qxc -0.3738716E+01 3,-1 174 3 +3 -1.834947 1.833611 1.855979 Rho 0.1274782E-01 |GRAD(Rho)| 0.1605567E-16 GRAD(Rho)x -0.1604796E-16 GRAD(Rho)y -0.1859484E-18 GRAD(Rho)z 0.4617356E-18 Laplacian 0.6006692E-01 (-1/4)Del**2(Rho)) -0.1501673E-01 Diamond 0.1468950E-02 Metallicity 0.7980640E+00 Ellipticity -0.7164060E+00 Gb(Abramov) 0.1200854E-01 Vb(Abramov) -0.9000347E-02 Hb(Abramov) 0.3008191E-02 Ex_ueg -0.2199377E-02 Ec_ueg -0.4942001E-03 Delta_ex -0.2694580E-02 Delta_ec 0.2341424E-03 Delta_et -0.2186993E-02 Pxc 0.4450377E+01 Qxc -0.1150830E+02 3,+3 175 3 -1 0.340859 -0.344724 0.358954 Rho 0.2057851E+00 |GRAD(Rho)| 0.3487415E-15 GRAD(Rho)x 0.1731996E-15 GRAD(Rho)y -0.1219352E-16 GRAD(Rho)z -0.3024464E-15 Laplacian 0.7570078E+00 (-1/4)Del**2(Rho)) -0.1892519E+00 Diamond 0.2486179E+01 Metallicity 0.6529343E+01 Ellipticity 0.6580300E-02 Gb(Abramov) 0.3321164E+00 Vb(Abramov) -0.4749809E+00 Hb(Abramov) -0.1428645E+00 Ex_ueg -0.8972988E-01 Ec_ueg -0.1210609E-01 Delta_ex -0.8959802E-01 Delta_ec 0.2052227E-01 Delta_et -0.2929461E+00 Pxc 0.7411960E+01 Qxc -0.4365893E+01 3,-1 176 3 -1 0.079502 -3.217097 -3.187861 Rho 0.2452014E+00 |GRAD(Rho)| 0.2802420E-14 GRAD(Rho)x -0.3815850E-15 GRAD(Rho)y 0.1347338E-14 GRAD(Rho)z 0.2427474E-14 Laplacian 0.8616169E+00 (-1/4)Del**2(Rho)) -0.2154042E+00 Diamond 0.3154685E+01 Metallicity 0.7682520E+01 Ellipticity 0.1469655E-02 Gb(Abramov) 0.4194107E+00 Vb(Abramov) -0.6234172E+00 Hb(Abramov) -0.2040065E+00 Ex_ueg -0.1133484E+00 Ec_ueg -0.1479941E-01 Delta_ex -0.1048295E+00 Delta_ec 0.1916862E-01 Delta_et -0.2668577E+00 Pxc 0.7658984E+01 Qxc -0.5468810E+01 3,-1 177 3 -1 -0.056746 -3.197745 3.192519 Rho 0.2560021E+00 |GRAD(Rho)| 0.1763259E-10 GRAD(Rho)x -0.2898797E-11 GRAD(Rho)y -0.1232182E-10 GRAD(Rho)z 0.1227510E-10 Laplacian 0.9193471E+00 (-1/4)Del**2(Rho)) -0.2298368E+00 Diamond 0.3509323E+01 Metallicity 0.7736410E+01 Ellipticity 0.1211316E-02 Gb(Abramov) 0.4495764E+00 Vb(Abramov) -0.6693161E+00 Hb(Abramov) -0.2197396E+00 Ex_ueg -0.1200539E+00 Ec_ueg -0.1555230E-01 Delta_ex -0.1129473E+00 Delta_ec 0.1987528E-01 Delta_et -0.2755492E+00 Pxc 0.7719369E+01 Qxc -0.5682803E+01 3,-1 178 3 -1 -1.776049 2.746311 -0.564732 Rho 0.1602677E+00 |GRAD(Rho)| 0.5507061E-15 GRAD(Rho)x -0.4765069E-15 GRAD(Rho)y 0.2529240E-15 GRAD(Rho)z 0.1106699E-15 Laplacian 0.6750337E+00 (-1/4)Del**2(Rho)) -0.1687584E+00 Diamond 0.1469781E+01 Metallicity 0.4827229E+01 Ellipticity 0.1604799E-01 Gb(Abramov) 0.2482782E+00 Vb(Abramov) -0.3277980E+00 Hb(Abramov) -0.7951977E-01 Ex_ueg -0.6429539E-01 Ec_ueg -0.9104004E-02 Delta_ex -0.7358308E-01 Delta_ec 0.1665945E-01 Delta_et -0.2232655E+00 Pxc 0.7062320E+01 Qxc -0.4416897E+01 3,-1 179 3 -1 2.774107 1.813076 0.576795 Rho 0.1433548E+00 |GRAD(Rho)| 0.7862313E-15 GRAD(Rho)x -0.2529511E-15 GRAD(Rho)y 0.5709680E-15 GRAD(Rho)z -0.4776724E-15 Laplacian 0.6063987E+00 (-1/4)Del**2(Rho)) -0.1515997E+00 Diamond 0.1168245E+01 Metallicity 0.4462127E+01 Ellipticity 0.9141069E-02 Gb(Abramov) 0.2138093E+00 Vb(Abramov) -0.2760189E+00 Hb(Abramov) -0.6220960E-01 Ex_ueg -0.5541168E-01 Ec_ueg -0.8019491E-02 Delta_ex -0.6444968E-01 Delta_ec 0.1564329E-01 Delta_et -0.2070808E+00 Pxc 0.6909626E+01 Qxc -0.4119958E+01 3,-1 180 3 -1 2.966236 1.976362 -0.841025 Rho 0.1429444E+00 |GRAD(Rho)| 0.4492973E-16 GRAD(Rho)x 0.1192622E-16 GRAD(Rho)y 0.3886865E-16 GRAD(Rho)z -0.1912262E-16 Laplacian 0.5694077E+00 (-1/4)Del**2(Rho)) -0.1423519E+00 Diamond 0.1094418E+01 Metallicity 0.4729353E+01 Ellipticity 0.2719727E-01 Gb(Abramov) 0.2071067E+00 Vb(Abramov) -0.2718615E+00 Hb(Abramov) -0.6475479E-01 Ex_ueg -0.5520028E-01 Ec_ueg -0.7993396E-02 Delta_ex -0.6048869E-01 Delta_ec 0.1472224E-01 Delta_et -0.1948544E+00 Pxc 0.6905736E+01 Qxc -0.4108662E+01 3,-1 181 3 -1 -3.210444 -0.057897 3.206872 Rho 0.2569748E+00 |GRAD(Rho)| 0.8023893E-14 GRAD(Rho)x 0.5633406E-14 GRAD(Rho)y 0.1282909E-14 GRAD(Rho)z -0.5567920E-14 Laplacian 0.9170977E+00 (-1/4)Del**2(Rho)) -0.2292744E+00 Diamond 0.3523565E+01 Metallicity 0.7804563E+01 Ellipticity 0.1925522E-02 Gb(Abramov) 0.4510807E+00 Vb(Abramov) -0.6728870E+00 Hb(Abramov) -0.2218063E+00 Ex_ueg -0.1206626E+00 Ec_ueg -0.1562042E-01 Delta_ex -0.1128165E+00 Delta_ec 0.1986260E-01 Delta_et -0.2756730E+00 Pxc 0.7724668E+01 Qxc -0.5679848E+01 3,-1 182 3 -1 -1.682108 1.686321 0.464075 Rho 0.5262337E-01 |GRAD(Rho)| 0.8437379E-16 GRAD(Rho)x 0.7963211E-16 GRAD(Rho)y 0.1428098E-16 GRAD(Rho)z 0.2395240E-16 Laplacian 0.2122968E+00 (-1/4)Del**2(Rho)) -0.5307419E-01 Diamond 0.1122744E+00 Metallicity 0.2398653E+01 Ellipticity 0.9526764E-02 Gb(Abramov) 0.5660056E-01 Vb(Abramov) -0.6012693E-01 Hb(Abramov) -0.3526367E-02 Ex_ueg -0.1456431E-01 Ec_ueg -0.2560389E-02 Delta_ex -0.1757706E-01 Delta_ec 0.6100885E-02 Delta_et -0.6512053E-01 Pxc 0.5688319E+01 Qxc -0.2881066E+01 3,-1 183 3 -1 -2.790865 -0.578873 1.820526 Rho 0.1470452E+00 |GRAD(Rho)| 0.4370551E-12 GRAD(Rho)x -0.1022579E-12 GRAD(Rho)y -0.2836106E-12 GRAD(Rho)z -0.3164262E-12 Laplacian 0.6172317E+00 (-1/4)Del**2(Rho)) -0.1543079E+00 Diamond 0.1221702E+01 Metallicity 0.4573511E+01 Ellipticity 0.1142495E-01 Gb(Abramov) 0.2204934E+00 Vb(Abramov) -0.2866790E+00 Hb(Abramov) -0.6618552E-01 Ex_ueg -0.5732176E-01 Ec_ueg -0.8254634E-02 Delta_ex -0.6596619E-01 Delta_ec 0.1574559E-01 Delta_et -0.2090356E+00 Pxc 0.6944192E+01 Qxc -0.4189502E+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 77 136 165 157 93 90 177 88 94 89 164 149 176 150 110 115 158 152 118 112 166 172 113 117 119 99 154 97 153 168 102 129 179 128 180 161 171 182 133 178 131 132 146 64 60 56 57 148 104 108 173 156 155 68 130 135 183 70 167 163 181 160 124 141 162 170 125 84 169 138 127 139 122 175 81 120 83 145 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 47 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 54 2.464151 1.940504 1.926224 1.938340 1.934095 1.719705 2.495359 1.940106 1.914537 1.985914 1.941731 1.708991 2.451336 1.924332 1.977819 1.913181 1.932813 1.718606 2.495429 1.910096 1.926903 1.934960 1.969592 1.717918 2.546790 1.939203 1.943724 1.941302 1.941971 1.707876 2.462282 1.928959 1.933453 1.940899 1.940860 1.719160 2.340522 1.872423 1.887220 1.914850 1.906963 1.851686 2.493879 1.944257 1.933009 1.953722 1.947216 1.709005 2.426186 2.001458 1.931360 1.926794 1.896662 1.719872 2.505653 1.920205 1.916246 1.959573 1.941239 1.718339 2.470307 1.926191 1.943267 1.932404 1.936938 1.719215 2.471282 1.920302 1.928320 1.937290 1.958352 1.719351 1.549366 1.548261 1.556886 1.569806 0.981890 2.465204 1.940866 1.926635 1.939019 1.934764 1.719707 2.496301 1.940633 1.915086 1.986793 1.942567 1.708997 2.452397 1.924763 1.978202 1.913777 1.933507 1.718612 2.496374 1.910466 1.927270 1.935650 1.969992 1.717920 2.547653 1.939730 1.944291 1.942125 1.942805 1.707883 2.463303 1.929322 1.933828 1.941586 1.941547 1.719164 2.341537 1.873017 1.887754 1.915692 1.907833 1.853417 2.494851 1.944797 1.933540 1.954572 1.948034 1.709014 2.427358 2.001836 1.931757 1.927423 1.897230 1.719878 2.506562 1.920659 1.916648 1.960010 1.941883 1.718343 2.471357 1.926566 1.943634 1.933068 1.937583 1.719221 2.472246 1.920685 1.928772 1.937944 1.959043 1.719352 1.549387 1.548288 1.556899 1.569870 0.982185 29 23 23 27 27 20 29 25 26 23 26 20 29 26 23 23 27 21 29 23 23 26 23 20 29 23 26 23 23 20 29 23 23 25 26 22 27 25 23 25 27 23 29 23 23 23 27 22 27 23 23 23 25 24 29 25 26 23 23 21 29 23 23 26 23 23 29 23 26 23 26 20 22 22 19 22 18 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W Mo W W Mo W W Mo W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O P H 2.5183 2.3926 2.5345 2.5336 2.3948 2.5340 2.6541 2.3869 2.5087 2.5308 2.5227 2.5227 -1.0394 -1.0438 -1.0544 -1.0604 -0.9132 -0.9122 -0.9224 -0.9465 -0.9119 -0.9459 -0.9488 -0.9447 -0.9264 -0.9124 -0.9464 -0.8887 -0.9041 -0.9012 -0.9427 -0.9284 -0.9395 -0.9391 -0.9446 -0.9017 -0.8780 -0.9267 -0.9038 -0.9406 -0.7192 -0.6397 -0.7161 -0.7161 -0.6384 -0.7201 -0.6697 -0.6397 -0.7161 -0.7173 -0.7188 -0.7192 2.3617 0.3030 2.0812 1.9268 2.0781 2.0784 1.9381 2.0810 2.0662 1.9384 2.0838 2.0750 2.0822 2.0783 1.8931 1.8934 1.8916 1.8935 1.9396 1.9404 1.9414 1.9355 1.9406 1.9359 1.9352 1.9364 1.9396 1.9399 1.9355 1.9442 1.9507 1.9522 1.9481 1.9496 1.9494 1.9489 1.9476 1.9527 1.9529 1.9505 1.9505 1.9483 1.9780 1.9898 1.9786 1.9796 1.9906 1.9781 1.8787 1.9898 1.9785 1.9791 1.9785 1.9780 2.4885 0.5985 6.0844 6.0588 6.0803 6.0812 6.0528 6.0804 6.0802 6.0610 6.0890 6.0801 6.0851 6.0801 5.1057 5.1090 5.1216 5.1255 4.9450 4.9430 4.9496 4.9803 4.9430 4.9790 4.9831 4.9774 4.9556 4.9439 4.9804 4.9176 4.9219 4.9176 4.9612 4.9449 4.9567 4.9562 4.9638 4.9170 4.8963 4.9424 4.9220 4.9587 4.7018 4.6124 4.6980 4.6969 4.6102 4.7026 4.7585 4.6126 4.6982 4.6986 4.7009 4.7018 7.3133 0.0985 3.2872 3.6218 3.2782 3.2780 3.6143 3.2757 3.1685 3.6137 3.2896 3.2854 3.2810 3.2901 0.0406 0.0414 0.0412 0.0415 0.0286 0.0288 0.0313 0.0307 0.0283 0.0310 0.0305 0.0308 0.0312 0.0287 0.0306 0.0270 0.0315 0.0313 0.0333 0.0338 0.0335 0.0340 0.0333 0.0320 0.0288 0.0337 0.0314 0.0336 0.0393 0.0374 0.0395 0.0396 0.0376 0.0394 0.0325 0.0374 0.0395 0.0396 0.0394 0.0394 0.8366 0.0000 14.0289 0.0000 14.0289 14.0289 0.0000 14.0289 14.0310 0.0000 14.0288 14.0288 14.0289 14.0288 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W Mo W W Mo W W Mo W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O P H 2.529743 3.187149 2.530409 2.528579 3.188688 2.530758 2.581022 3.189573 2.528375 2.526339 2.531044 2.526649 -1.059993 -1.095510 -1.036235 -1.030951 -1.042253 -1.039617 -0.907169 -0.930421 -1.041350 -0.928757 -0.931883 -0.927055 -0.914020 -1.043876 -0.930936 -1.158092 -1.013412 -1.007242 -0.903915 -0.892004 -0.900373 -0.899921 -0.906559 -0.996139 -1.122165 -0.887869 -1.012874 -0.902878 -0.738381 -0.901779 -0.734079 -0.733811 -0.900873 -0.739935 -0.495155 -0.903024 -0.733400 -0.735131 -0.737575 -0.738565 2.005525 0.171323 1.964865 2.389438 1.957496 1.956417 2.386311 1.954439 1.841097 2.384081 1.964394 1.960536 1.959769 1.965097 -0.823714 -0.873457 -0.776217 -0.752307 -0.795671 -0.794793 -0.659894 -0.694790 -0.793897 -0.698124 -0.691514 -0.695872 -0.665449 -0.793798 -0.696482 -0.895614 -0.810204 -0.808705 -0.723737 -0.688434 -0.722106 -0.723241 -0.725895 -0.807032 -0.893333 -0.688230 -0.804338 -0.726784 -0.611605 -0.645717 -0.610726 -0.611189 -0.648413 -0.620484 -0.625061 -0.650895 -0.601014 -0.610010 -0.613267 -0.612653 1.549619 0.451107 2.061044 2.469512 2.050967 2.049012 2.466589 2.051438 2.064260 2.464747 2.055857 2.053678 2.056287 2.061945 -0.861660 -0.891259 -0.824268 -0.809855 -0.869983 -0.871101 -0.761997 -0.769844 -0.870731 -0.772022 -0.767927 -0.773551 -0.765701 -0.867637 -0.772134 -0.965477 -0.850293 -0.852451 -0.759373 -0.734189 -0.763987 -0.754603 -0.767659 -0.846192 -0.934211 -0.735605 -0.840137 -0.763323 -0.575695 -0.603261 -0.578855 -0.579200 -0.608789 -0.588336 -0.622476 -0.608311 -0.562954 -0.577696 -0.577302 -0.580587 1.523578 0.451715 -7.57508731 4.70839130 -2.96724003 9.39975584 11.76018785 -34.90155190 10.07347183 11.40543271 -5.88259028 -23.16562056 -409.2383 405.3532 -73.3438 -376.1080 -5.0647 -458.4016 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 0 Apr16-2024 18:44:43 Nodes: 1 Procs: 1 Apr16-2024 18:44:44 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr16-2024 18:44:45 Nodes: 1 Procs: 1 Apr16-2024 18:44:45 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr16-2024 18:44:46 Nodes: 1 Procs: 1 Apr16-2024 18:44:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr16-2024 18:44:47 Nodes: 1 Procs: 1 Apr16-2024 18:44:48 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr16-2024 18:44:50 Nodes: 1 Procs: 24 *** (NO TITLE) *** -2 -16.14691874 -16.64650375 -16.04232752 -16.79273031 -16.83272001 -16.84135106 -16.84283566 -16.84431511 -16.84532823 -16.84551858 -16.84576491 -16.84586217 -16.84591113 -16.84592358 -16.84593918 -16.84594851 GEOMETRY CONVERGED