ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov04-2023 11:31:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.02 0.39 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 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov04-2023 11:31:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.53 0.03 0.60 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 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 0 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 Nov04-2023 11:31:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov04-2023 11:31:57 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.02 0.47 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 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 0 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 Nov04-2023 11:31:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Nov04-2023 11:31:57 Nodes: 1 Procs: 1 Nov04-2023 11:31:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov04-2023 11:31:58 Hydrogen (TZP) kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.19 0.03 1.27 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 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 0 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 Nov04-2023 11:31:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Nov04-2023 11:31:57 Nodes: 1 Procs: 1 Nov04-2023 11:31:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Nov04-2023 11:31:58 Nodes: 1 Procs: 1 Nov04-2023 11:31:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov04-2023 11:32:01 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2877.0297610000057 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287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.827 -7.824 -7.640 -7.621 -7.612 -7.602 -7.595 -7.580 -7.286 -7.279 -4.549 -4.510 -4.196 -4.168 -4.115 -4.076 -3.841 -3.463 -3.459 -3.436 A A A A A A A A A A A A A A A A A A A A 0.00000000066406 0.00055180223584 0.00037882098631 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 74 74 74 74 74 74 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 15 1 0.088348 -2.542566 2.547508 -0.079639 -2.562501 -2.545510 0.136511 2.537883 -2.571173 -0.072481 2.543613 2.561099 2.553604 -2.562153 0.103177 2.554569 2.549453 -0.097980 -2.490782 2.507593 0.086996 -2.553750 -2.536887 -0.100517 -2.515262 -0.123108 -2.584437 -2.554272 0.093178 2.555277 2.556502 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3.744325 0.192581 -3.764626 3.818289 -0.209063 -3.755903 -3.731939 0.180828 -3.731570 0.210688 -3.750232 -3.763492 -0.172625 3.745507 3.756181 0.182222 3.744462 3.762329 -0.212530 -3.739338 -0.002797 0.010909 -0.022857 -4.396423 3.796530 -0.961117 1 3 -3 0.088348 -2.542566 2.547508 Rho 0.4361414E+07 3,-3 2 3 -3 -0.079639 -2.562501 -2.545510 Rho 0.4361414E+07 3,-3 3 3 -3 0.136511 2.537883 -2.571173 Rho 0.4361414E+07 3,-3 4 3 -3 -0.072481 2.543613 2.561099 Rho 0.4361414E+07 3,-3 5 3 -3 2.553604 -2.562153 0.103177 Rho 0.4361414E+07 3,-3 6 3 -3 2.554569 2.549453 -0.097980 Rho 0.4361414E+07 3,-3 7 3 -3 -2.490782 2.507593 0.086996 Rho 0.4361414E+07 3,-3 8 3 -3 -2.553750 -2.536887 -0.100517 Rho 0.4361414E+07 3,-3 9 3 -3 -2.515262 -0.123108 -2.584437 Rho 0.4361414E+07 3,-3 10 3 -3 -2.554272 0.093178 2.555277 Rho 0.4361414E+07 3,-3 11 3 -3 2.556502 -0.099790 2.547560 Rho 0.4361414E+07 3,-3 12 3 -3 2.564699 0.080147 -2.542678 Rho 0.4361414E+07 3,-3 13 3 -3 0.873699 -0.871489 0.902361 Rho 0.3187850E+03 3,-3 14 3 -3 -0.897529 -0.889970 -0.918069 Rho 0.3187788E+03 3,-3 15 3 -3 0.903743 0.902946 -0.914065 Rho 0.3187786E+03 3,-3 16 3 -3 -0.920187 0.929776 0.851719 Rho 0.3187750E+03 3,-3 17 3 -3 -3.022584 -1.155949 1.167287 Rho 0.3188754E+03 3,-3 18 3 -3 3.019333 -1.182168 -1.168187 Rho 0.3188736E+03 3,-3 19 3 -3 -2.977805 1.178613 -1.135997 Rho 0.3189468E+03 3,-3 20 3 -3 3.012681 1.170108 1.172001 Rho 0.3188745E+03 3,-3 21 3 -3 1.167933 -1.169545 -3.016209 Rho 0.3188756E+03 3,-3 22 3 -3 1.177078 1.183354 3.033337 Rho 0.3188773E+03 3,-3 23 3 -3 -1.160073 1.172543 -3.007726 Rho 0.3188711E+03 3,-3 24 3 -3 -1.182377 -1.160233 3.024795 Rho 0.3188761E+03 3,-3 25 3 -3 -1.143157 3.000183 -1.147740 Rho 0.3189151E+03 3,-3 26 3 -3 -1.177235 -3.002710 1.165527 Rho 0.3188742E+03 3,-3 27 3 -3 1.165993 3.017768 1.164638 Rho 0.3188759E+03 3,-3 28 3 -3 1.173178 -3.026529 -1.170023 Rho 0.3188733E+03 3,-3 29 3 -3 3.376319 -1.497489 1.494115 Rho 0.3189737E+03 3,-3 30 3 -3 -3.375658 -1.469696 -1.500637 Rho 0.3189795E+03 3,-3 31 3 -3 3.382673 1.488323 -1.496095 Rho 0.3189766E+03 3,-3 32 3 -3 -3.360569 1.507392 1.473561 Rho 0.3190000E+03 3,-3 33 3 -3 1.484915 -1.484281 3.374283 Rho 0.3189763E+03 3,-3 34 3 -3 1.510402 1.491886 -3.398120 Rho 0.3189821E+03 3,-3 35 3 -3 -1.492137 1.503776 3.361649 Rho 0.3189717E+03 3,-3 36 3 -3 -1.493575 -1.501738 -3.409515 Rho 0.3189843E+03 3,-3 37 3 -3 -1.499383 -3.365685 -1.504384 Rho 0.3189761E+03 3,-3 38 3 -3 -1.499171 3.361468 1.460759 Rho 0.3190177E+03 3,-3 39 3 -3 1.485806 -3.373887 1.493960 Rho 0.3189747E+03 3,-3 40 3 -3 1.506875 3.381897 -1.502677 Rho 0.3189804E+03 3,-3 41 3 -3 -0.201112 -3.740313 3.744868 Rho 0.3194338E+03 3,-3 42 3 -3 0.208079 -3.761325 -3.741892 Rho 0.3194356E+03 3,-3 43 3 -3 -0.180363 3.745955 -3.750703 Rho 0.3194396E+03 3,-3 44 3 -3 0.188536 3.762784 3.741650 Rho 0.3194440E+03 3,-3 45 3 -3 3.749328 -3.762539 -0.178217 Rho 0.3194368E+03 3,-3 46 3 -3 3.754712 3.744325 0.192581 Rho 0.3194331E+03 3,-3 47 3 -3 -3.764626 3.818289 -0.209063 Rho 0.3186977E+03 3,-3 48 3 -3 -3.755903 -3.731939 0.180828 Rho 0.3194331E+03 3,-3 49 3 -3 -3.731570 0.210688 -3.750232 Rho 0.3194439E+03 3,-3 50 3 -3 -3.763492 -0.172625 3.745507 Rho 0.3194399E+03 3,-3 51 3 -3 3.756181 0.182222 3.744462 Rho 0.3194351E+03 3,-3 52 3 -3 3.762329 -0.212530 -3.739338 Rho 0.3194343E+03 3,-3 53 3 -3 -0.002797 0.010909 -0.022857 Rho 0.2439501E+04 3,-3 54 3 -3 -4.396423 3.796530 -0.961117 Rho 0.4412602E+00 3,-3 55 3 +1 -2.899653 -0.121587 -0.125838 Rho 0.5118459E-02 |GRAD(Rho)| 0.4312249E-17 GRAD(Rho)x -0.4933801E-18 GRAD(Rho)y -0.4883674E-18 GRAD(Rho)z -0.4256003E-17 Laplacian 0.2146445E-01 (-1/4)Del**2(Rho)) -0.5366113E-02 Diamond 0.5183766E-03 Metallicity 0.4880437E+00 Ellipticity -0.2819617E+01 Gb(Abramov) 0.4013891E-02 Vb(Abramov) -0.2661670E-02 Hb(Abramov) 0.1352221E-02 Ex_ueg -0.6514843E-03 Ec_ueg -0.1520141E-03 Delta_ex -0.1073666E-02 Delta_ec 0.6788181E-03 Delta_et -0.3711384E-02 Pxc 0.4285683E+01 Qxc -0.1581670E+01 3,+1 56 3 +1 -1.728652 1.748245 -1.751285 Rho 0.1271300E-01 |GRAD(Rho)| 0.2428710E-16 GRAD(Rho)x -0.1692768E-16 GRAD(Rho)y -0.9168154E-17 GRAD(Rho)z 0.1480750E-16 Laplacian 0.6461062E-01 (-1/4)Del**2(Rho)) -0.1615266E-01 Diamond 0.2795614E-02 Metallicity 0.7385661E+00 Ellipticity -0.1258934E+01 Gb(Abramov) 0.1275674E-01 Vb(Abramov) -0.9360820E-02 Hb(Abramov) 0.3395918E-02 Ex_ueg -0.2191371E-02 Ec_ueg -0.4925829E-03 Delta_ex -0.3222937E-02 Delta_ec 0.8354437E-03 Delta_et -0.6355627E-02 Pxc 0.4448735E+01 Qxc -0.3857755E+01 3,+1 57 3 +3 -1.086286 1.099028 -1.141787 Rho 0.5261001E-02 |GRAD(Rho)| 0.2281192E-14 GRAD(Rho)x 0.2166065E-14 GRAD(Rho)y 0.7154552E-15 GRAD(Rho)z 0.1115501E-16 Laplacian 0.2223553E-01 (-1/4)Del**2(Rho)) -0.5558882E-02 Diamond 0.1777502E-03 Metallicity 0.4931886E+00 Ellipticity -0.1780036E+00 Gb(Abramov) 0.4162851E-02 Vb(Abramov) -0.2766820E-02 Hb(Abramov) 0.1396031E-02 Ex_ueg -0.6757866E-03 Ec_ueg -0.1581620E-03 Delta_ex -0.7889370E-03 Delta_ec 0.1153870E-03 Delta_et -0.8713205E-03 Pxc 0.4272750E+01 Qxc -0.6837311E+01 3,+3 58 3 +1 -1.671439 0.513703 -0.582864 Rho 0.9390293E-02 |GRAD(Rho)| 0.3609043E-15 GRAD(Rho)x 0.1793729E-15 GRAD(Rho)y 0.6825483E-16 GRAD(Rho)z 0.3056445E-15 Laplacian 0.4055628E-01 (-1/4)Del**2(Rho)) -0.1013907E-01 Diamond 0.1294625E-02 Metallicity 0.7101557E+00 Ellipticity -0.1430072E+01 Gb(Abramov) 0.7959434E-02 Vb(Abramov) -0.5779797E-02 Hb(Abramov) 0.2179637E-02 Ex_ueg -0.1463156E-02 Ec_ueg -0.3404772E-03 Delta_ex -0.1923103E-02 Delta_ec 0.6215231E-03 Delta_et -0.4304802E-02 Pxc 0.4297368E+01 Qxc -0.3094178E+01 3,+1 59 3 -1 -1.673352 1.690074 0.459514 Rho 0.5084074E-01 |GRAD(Rho)| 0.1625195E-15 GRAD(Rho)x -0.8340479E-16 GRAD(Rho)y 0.1346503E-15 GRAD(Rho)z -0.3640802E-16 Laplacian 0.2053673E+00 (-1/4)Del**2(Rho)) -0.5134181E-01 Diamond 0.1034953E+00 Metallicity 0.2341182E+01 Ellipticity 0.1053459E-01 Gb(Abramov) 0.5426129E-01 Vb(Abramov) -0.5718078E-01 Hb(Abramov) -0.2919481E-02 Ex_ueg -0.1391023E-01 Ec_ueg -0.2461400E-02 Delta_ex -0.1684908E-01 Delta_ec 0.5892743E-02 Delta_et -0.6234112E-01 Pxc 0.5651349E+01 Qxc -0.2859294E+01 3,-1 60 3 +1 -1.209314 1.171969 2.080713 Rho 0.2465414E-01 |GRAD(Rho)| 0.8321973E-16 GRAD(Rho)x -0.7529419E-16 GRAD(Rho)y 0.4927886E-17 GRAD(Rho)z 0.3510020E-16 Laplacian 0.9900310E-01 (-1/4)Del**2(Rho)) -0.2475077E-01 Diamond 0.1421503E-01 Metallicity 0.1453608E+01 Ellipticity -0.8176553E+01 Gb(Abramov) 0.2249684E-01 Vb(Abramov) -0.2024290E-01 Hb(Abramov) 0.2253936E-02 Ex_ueg -0.5299540E-02 Ec_ueg -0.1071316E-02 Delta_ex -0.6301940E-02 Delta_ec 0.1978781E-02 Delta_et -0.1733538E-01 Pxc 0.4946755E+01 Qxc -0.3184758E+01 3,+1 61 3 -1 -1.977432 0.842851 2.965085 Rho 0.1426676E+00 |GRAD(Rho)| 0.2618097E-15 GRAD(Rho)x 0.1527912E-15 GRAD(Rho)y 0.7554179E-16 GRAD(Rho)z 0.1987275E-15 Laplacian 0.5700549E+00 (-1/4)Del**2(Rho)) -0.1425137E+00 Diamond 0.1091735E+01 Metallicity 0.4708746E+01 Ellipticity 0.2486092E-01 Gb(Abramov) 0.2068526E+00 Vb(Abramov) -0.2711915E+00 Hb(Abramov) -0.6433891E-01 Ex_ueg -0.5505778E-01 Ec_ueg -0.7975797E-02 Delta_ex -0.6051414E-01 Delta_ec 0.1471974E-01 Delta_et -0.1947094E+00 Pxc 0.6903107E+01 Qxc -0.4111087E+01 3,-1 62 3 +1 -1.978048 1.988348 1.986469 Rho 0.1295999E-01 |GRAD(Rho)| 0.1312455E-13 GRAD(Rho)x 0.7113806E-14 GRAD(Rho)y -0.7245084E-14 GRAD(Rho)z -0.8316034E-14 Laplacian 0.6275160E-01 (-1/4)Del**2(Rho)) -0.1568790E-01 Diamond 0.2324774E-02 Metallicity 0.7852283E+00 Ellipticity -0.1155543E+01 Gb(Abramov) 0.1251170E-01 Vb(Abramov) -0.9335494E-02 Hb(Abramov) 0.3176203E-02 Ex_ueg -0.2248318E-02 Ec_ueg -0.5040647E-03 Delta_ex -0.3025454E-02 Delta_ec 0.5957817E-03 Delta_et -0.4712818E-02 Pxc 0.4460376E+01 Qxc -0.5078125E+01 3,+1 63 3 +3 -1.824592 1.834475 1.843050 Rho 0.1271716E-01 |GRAD(Rho)| 0.1493170E-16 GRAD(Rho)x -0.1000576E-16 GRAD(Rho)y -0.1081542E-16 GRAD(Rho)z 0.2422211E-17 Laplacian 0.5987135E-01 (-1/4)Del**2(Rho)) -0.1496784E-01 Diamond 0.1448305E-02 Metallicity 0.7974643E+00 Ellipticity -0.7007273E+00 Gb(Abramov) 0.1196794E-01 Vb(Abramov) -0.8968052E-02 Hb(Abramov) 0.2999893E-02 Ex_ueg -0.2192328E-02 Ec_ueg -0.4927762E-03 Delta_ex -0.2680978E-02 Delta_ec 0.2281637E-03 Delta_et -0.2143615E-02 Pxc 0.4448931E+01 Qxc -0.1175024E+02 3,+3 64 3 -1 0.586486 2.780055 1.812836 Rho 0.1446752E+00 |GRAD(Rho)| 0.1080583E-14 GRAD(Rho)x -0.6831151E-15 GRAD(Rho)y -0.2763157E-15 GRAD(Rho)z 0.7903563E-15 Laplacian 0.6110867E+00 (-1/4)Del**2(Rho)) -0.1527717E+00 Diamond 0.1186028E+01 Metallicity 0.4496078E+01 Ellipticity 0.8268464E-02 Gb(Abramov) 0.2163267E+00 Vb(Abramov) -0.2798816E+00 Hb(Abramov) -0.6355499E-01 Ex_ueg -0.5609323E-01 Ec_ueg -0.8103526E-02 Delta_ex -0.6504870E-01 Delta_ec 0.1564886E-01 Delta_et -0.2072605E+00 Pxc 0.6922078E+01 Qxc -0.4156769E+01 3,-1 65 3 +1 0.543767 -0.534840 -1.692735 Rho 0.8871733E-02 |GRAD(Rho)| 0.8685483E-14 GRAD(Rho)x 0.6579946E-15 GRAD(Rho)y 0.6978029E-14 GRAD(Rho)z 0.5129500E-14 Laplacian 0.3703627E-01 (-1/4)Del**2(Rho)) -0.9259068E-02 Diamond 0.1094991E-02 Metallicity 0.7074027E+00 Ellipticity -0.1446005E+01 Gb(Abramov) 0.7264360E-02 Vb(Abramov) -0.5269652E-02 Hb(Abramov) 0.1994708E-02 Ex_ueg -0.1356427E-02 Ec_ueg -0.3171545E-03 Delta_ex -0.1731691E-02 Delta_ec 0.5681773E-03 Delta_et -0.3876797E-02 Pxc 0.4276864E+01 Qxc -0.3047800E+01 3,+1 66 3 +1 1.756863 -1.763054 -1.755261 Rho 0.1245519E-01 |GRAD(Rho)| 0.3514883E-16 GRAD(Rho)x -0.1438426E-16 GRAD(Rho)y 0.1516752E-16 GRAD(Rho)z -0.2825738E-16 Laplacian 0.6315651E-01 (-1/4)Del**2(Rho)) -0.1578913E-01 Diamond 0.2654356E-02 Metallicity 0.7302069E+00 Ellipticity -0.1243888E+01 Gb(Abramov) 0.1244764E-01 Vb(Abramov) -0.9106152E-02 Hb(Abramov) 0.3341488E-02 Ex_ueg -0.2132320E-02 Ec_ueg -0.4806230E-03 Delta_ex -0.3132644E-02 Delta_ec 0.8153793E-03 Delta_et -0.6173120E-02 Pxc 0.4436576E+01 Qxc -0.3841947E+01 3,+1 67 3 +1 -0.554171 -1.670228 0.528537 Rho 0.8649206E-02 |GRAD(Rho)| 0.8197318E-15 GRAD(Rho)x 0.2150772E-15 GRAD(Rho)y -0.3262471E-15 GRAD(Rho)z 0.7206003E-15 Laplacian 0.3602177E-01 (-1/4)Del**2(Rho)) -0.9005442E-02 Diamond 0.1031366E-02 Metallicity 0.6971751E+00 Ellipticity -0.1441286E+01 Gb(Abramov) 0.7050023E-02 Vb(Abramov) -0.5094604E-02 Hb(Abramov) 0.1955419E-02 Ex_ueg -0.1311254E-02 Ec_ueg -0.3071823E-03 Delta_ex -0.1674758E-02 Delta_ec 0.5546694E-03 Delta_et -0.3757953E-02 Pxc 0.4268650E+01 Qxc -0.3019380E+01 3,+1 68 3 +3 -1.113179 -1.081179 1.103852 Rho 0.4918826E-02 |GRAD(Rho)| 0.1294097E-15 GRAD(Rho)x 0.6093542E-16 GRAD(Rho)y -0.8400296E-16 GRAD(Rho)z 0.7731273E-16 Laplacian 0.2012777E-01 (-1/4)Del**2(Rho)) -0.5031942E-02 Diamond 0.1472965E-03 Metallicity 0.4870647E+00 Ellipticity -0.6675591E-01 Gb(Abramov) 0.3763109E-02 Vb(Abramov) -0.2494275E-02 Hb(Abramov) 0.1268834E-02 Ex_ueg -0.6178272E-03 Ec_ueg -0.1434212E-03 Delta_ex -0.7016009E-03 Delta_ec 0.1053612E-03 Delta_et -0.7834234E-03 Pxc 0.4307781E+01 Qxc -0.6659009E+01 3,+3 69 3 +1 -0.582635 -0.498973 1.676155 Rho 0.8318790E-02 |GRAD(Rho)| 0.2411771E-14 GRAD(Rho)x -0.2116780E-14 GRAD(Rho)y 0.7258267E-15 GRAD(Rho)z 0.8994763E-15 Laplacian 0.3435278E-01 (-1/4)Del**2(Rho)) -0.8588195E-02 Diamond 0.9302558E-03 Metallicity 0.6850962E+00 Ellipticity -0.1431767E+01 Gb(Abramov) 0.6706087E-02 Vb(Abramov) -0.4823978E-02 Hb(Abramov) 0.1882108E-02 Ex_ueg -0.1244893E-02 Ec_ueg -0.2924156E-03 Delta_ex -0.1580562E-02 Delta_ec 0.5268305E-03 Delta_et -0.3534543E-02 Pxc 0.4257272E+01 Qxc -0.3000134E+01 3,+1 70 3 +1 0.038713 -0.029828 2.910345 Rho 0.4829902E-02 |GRAD(Rho)| 0.6545756E-17 GRAD(Rho)x 0.5370801E-17 GRAD(Rho)y 0.3615375E-17 GRAD(Rho)z -0.9646128E-18 Laplacian 0.1974727E-01 (-1/4)Del**2(Rho)) -0.4936818E-02 Diamond 0.4808667E-03 Metallicity 0.4815817E+00 Ellipticity -0.7610598E+01 Gb(Abramov) 0.3687459E-02 Vb(Abramov) -0.2438100E-02 Hb(Abramov) 0.1249359E-02 Ex_ueg -0.6029799E-03 Ec_ueg -0.1396002E-03 Delta_ex -0.1015451E-02 Delta_ec 0.6935166E-03 Delta_et -0.3698327E-02 Pxc 0.4319335E+01 Qxc -0.1464206E+01 3,+1 71 3 +3 0.012631 0.004816 -2.366126 Rho 0.4539786E-02 |GRAD(Rho)| 0.2581087E-15 GRAD(Rho)x 0.1645218E-15 GRAD(Rho)y 0.1628204E-15 GRAD(Rho)z 0.1142026E-15 Laplacian 0.1878941E-01 (-1/4)Del**2(Rho)) -0.4697351E-02 Diamond 0.1755731E-03 Metallicity 0.4564843E+00 Ellipticity -0.2858163E+00 Gb(Abramov) 0.3488945E-02 Vb(Abramov) -0.2280539E-02 Hb(Abramov) 0.1208406E-02 Ex_ueg -0.5551780E-03 Ec_ueg -0.1271620E-03 Delta_ex -0.6960505E-03 Delta_ec 0.1970446E-03 Delta_et -0.1200561E-02 Pxc 0.4365911E+01 Qxc -0.3532451E+01 3,+3 72 3 -1 -0.365407 -0.353213 -0.385787 Rho 0.2038047E+00 |GRAD(Rho)| 0.1294449E-15 GRAD(Rho)x 0.4180168E-16 GRAD(Rho)y 0.1201852E-15 GRAD(Rho)z 0.2375108E-16 Laplacian 0.7413044E+00 (-1/4)Del**2(Rho)) -0.1853261E+00 Diamond 0.2415321E+01 Metallicity 0.6561056E+01 Ellipticity 0.1651749E-02 Gb(Abramov) 0.3262065E+00 Vb(Abramov) -0.4670870E+00 Hb(Abramov) -0.1408804E+00 Ex_ueg -0.8858036E-01 Ec_ueg -0.1197303E-01 Delta_ex -0.8758703E-01 Delta_ec 0.2025087E-01 Delta_et -0.2890410E+00 Pxc 0.7398322E+01 Qxc -0.4325101E+01 3,-1 73 3 +1 -1.693360 -0.526879 0.520685 Rho 0.8565957E-02 |GRAD(Rho)| 0.5119480E-14 GRAD(Rho)x 0.2598067E-14 GRAD(Rho)y -0.1073637E-14 GRAD(Rho)z -0.4278601E-14 Laplacian 0.3545930E-01 (-1/4)Del**2(Rho)) -0.8864824E-02 Diamond 0.1001938E-02 Metallicity 0.6969092E+00 Ellipticity -0.1444062E+01 Gb(Abramov) 0.6939546E-02 Vb(Abramov) -0.5014267E-02 Hb(Abramov) 0.1925279E-02 Ex_ueg -0.1294453E-02 Ec_ueg -0.3034572E-03 Delta_ex -0.1644619E-02 Delta_ec 0.5459719E-03 Delta_et -0.3689658E-02 Pxc 0.4265685E+01 Qxc -0.3012278E+01 3,+1 74 3 +1 2.115504 1.191801 -1.174958 Rho 0.2574881E-01 |GRAD(Rho)| 0.9443002E-16 GRAD(Rho)x 0.8682539E-16 GRAD(Rho)y 0.2426101E-16 GRAD(Rho)z -0.2810310E-16 Laplacian 0.1048833E+00 (-1/4)Del**2(Rho)) -0.2622083E-01 Diamond 0.1591449E-01 Metallicity 0.1475147E+01 Ellipticity -0.8207329E+01 Gb(Abramov) 0.2392715E-01 Vb(Abramov) -0.2163347E-01 Hb(Abramov) 0.2293678E-02 Ex_ueg -0.5615580E-02 Ec_ueg -0.1126489E-02 Delta_ex -0.6744839E-02 Delta_ec 0.2083298E-02 Delta_et -0.1845860E-01 Pxc 0.4985028E+01 Qxc -0.3237579E+01 3,+1 75 3 +1 -0.530575 0.546290 -1.690727 Rho 0.9057795E-02 |GRAD(Rho)| 0.1372912E-16 GRAD(Rho)x 0.5436753E-17 GRAD(Rho)y 0.9432403E-17 GRAD(Rho)z 0.8364224E-17 Laplacian 0.3796165E-01 (-1/4)Del**2(Rho)) -0.9490412E-02 Diamond 0.1154036E-02 Metallicity 0.7144506E+00 Ellipticity -0.1449885E+01 Gb(Abramov) 0.7457013E-02 Vb(Abramov) -0.5423614E-02 Hb(Abramov) 0.2033399E-02 Ex_ueg -0.1394489E-02 Ec_ueg -0.3255093E-03 Delta_ex -0.1783993E-02 Delta_ec 0.5820024E-03 Delta_et -0.3993062E-02 Pxc 0.4284021E+01 Qxc -0.3065268E+01 3,+1 76 3 +1 1.679616 0.552491 0.533064 Rho 0.8661154E-02 |GRAD(Rho)| 0.1254014E-16 GRAD(Rho)x 0.9007620E-17 GRAD(Rho)y 0.8723392E-17 GRAD(Rho)z 0.1427932E-18 Laplacian 0.3611332E-01 (-1/4)Del**2(Rho)) -0.9028330E-02 Diamond 0.1037011E-02 Metallicity 0.6970095E+00 Ellipticity -0.1441697E+01 Gb(Abramov) 0.7067692E-02 Vb(Abramov) -0.5107054E-02 Hb(Abramov) 0.1960638E-02 Ex_ueg -0.1313669E-02 Ec_ueg -0.3077172E-03 Delta_ex -0.1680074E-02 Delta_ec 0.5569388E-03 Delta_et -0.3774061E-02 Pxc 0.4269081E+01 Qxc -0.3016621E+01 3,+1 77 3 -1 -0.034825 3.192680 -3.210486 Rho 0.2572063E+00 |GRAD(Rho)| 0.2713417E-14 GRAD(Rho)x 0.7360106E-15 GRAD(Rho)y -0.1966960E-14 GRAD(Rho)z 0.1718135E-14 Laplacian 0.9246877E+00 (-1/4)Del**2(Rho)) -0.2311719E+00 Diamond 0.3547430E+01 Metallicity 0.7752122E+01 Ellipticity 0.1551451E-02 Gb(Abramov) 0.4527935E+00 Vb(Abramov) -0.6744150E+00 Hb(Abramov) -0.2216215E+00 Ex_ueg -0.1208075E+00 Ec_ueg -0.1563663E-01 Delta_ex -0.1137328E+00 Delta_ec 0.1994216E-01 Delta_et -0.2763992E+00 Pxc 0.7725925E+01 Qxc -0.5703132E+01 3,-1 78 3 +1 0.154100 2.905033 -0.138144 Rho 0.5258906E-02 |GRAD(Rho)| 0.4145162E-14 GRAD(Rho)x 0.2988258E-14 GRAD(Rho)y 0.1851230E-15 GRAD(Rho)z -0.2866777E-14 Laplacian 0.2198306E-01 (-1/4)Del**2(Rho)) -0.5495764E-02 Diamond 0.5463809E-03 Metallicity 0.4985217E+00 Ellipticity -0.2884074E+01 Gb(Abramov) 0.4120469E-02 Vb(Abramov) -0.2745174E-02 Hb(Abramov) 0.1375295E-02 Ex_ueg -0.6754278E-03 Ec_ueg -0.1580715E-03 Delta_ex -0.1101743E-02 Delta_ec 0.6887103E-03 Delta_et -0.3798799E-02 Pxc 0.4272925E+01 Qxc -0.1599719E+01 3,+1 79 3 -1 0.068762 3.204719 3.201270 Rho 0.2578628E+00 |GRAD(Rho)| 0.1838277E-10 GRAD(Rho)x 0.2794954E-11 GRAD(Rho)y 0.1305281E-10 GRAD(Rho)z 0.1263878E-10 Laplacian 0.9205213E+00 (-1/4)Del**2(Rho)) -0.2301303E+00 Diamond 0.3550825E+01 Metallicity 0.7820365E+01 Ellipticity 0.2113706E-02 Gb(Abramov) 0.4533707E+00 Vb(Abramov) -0.6766111E+00 Hb(Abramov) -0.2232404E+00 Ex_ueg -0.1212188E+00 Ec_ueg -0.1568265E-01 Delta_ex -0.1133376E+00 Delta_ec 0.1991032E-01 Delta_et -0.2763237E+00 Pxc 0.7729485E+01 Qxc -0.5692404E+01 3,-1 80 3 -1 0.831303 -2.965907 1.974943 Rho 0.1438428E+00 |GRAD(Rho)| 0.4232300E-15 GRAD(Rho)x -0.2234947E-15 GRAD(Rho)y 0.6442871E-16 GRAD(Rho)z 0.3535854E-15 Laplacian 0.5760902E+00 (-1/4)Del**2(Rho)) -0.1440226E+00 Diamond 0.1115376E+01 Metallicity 0.4723559E+01 Ellipticity 0.2698629E-01 Gb(Abramov) 0.2093982E+00 Vb(Abramov) -0.2747739E+00 Hb(Abramov) -0.6537565E-01 Ex_ueg -0.5566331E-01 Ec_ueg -0.8050534E-02 Delta_ex -0.6128956E-01 Delta_ec 0.1486753E-01 Delta_et -0.1969502E+00 Pxc 0.6914239E+01 Qxc -0.4122378E+01 3,-1 81 3 +1 1.217243 -2.091452 1.128844 Rho 0.2444975E-01 |GRAD(Rho)| 0.5506508E-16 GRAD(Rho)x -0.1107803E-16 GRAD(Rho)y 0.5368217E-16 GRAD(Rho)z -0.5259647E-17 Laplacian 0.9779971E-01 (-1/4)Del**2(Rho)) -0.2444993E-01 Diamond 0.1357328E-01 Metallicity 0.1451219E+01 Ellipticity -0.6226827E+01 Gb(Abramov) 0.2221365E-01 Vb(Abramov) -0.1997738E-01 Hb(Abramov) 0.2236274E-02 Ex_ueg -0.5241043E-02 Ec_ueg -0.1061050E-02 Delta_ex -0.6177269E-02 Delta_ec 0.1892906E-02 Delta_et -0.1656043E-01 Pxc 0.4939486E+01 Qxc -0.3263378E+01 3,+1 82 3 +1 0.537480 1.693669 0.520685 Rho 0.8707301E-02 |GRAD(Rho)| 0.5641204E-16 GRAD(Rho)x 0.2900887E-16 GRAD(Rho)y -0.2120709E-16 GRAD(Rho)z -0.4348635E-16 Laplacian 0.3616742E-01 (-1/4)Del**2(Rho)) -0.9041854E-02 Diamond 0.1043165E-02 Metallicity 0.7021581E+00 Ellipticity -0.1444936E+01 Gb(Abramov) 0.7086038E-02 Vb(Abramov) -0.5130222E-02 Hb(Abramov) 0.1955816E-02 Ex_ueg -0.1323010E-02 Ec_ueg -0.3097836E-03 Delta_ex -0.1683518E-02 Delta_ec 0.5554473E-03 Delta_et -0.3770933E-02 Pxc 0.4270755E+01 Qxc -0.3030923E+01 3,+1 83 3 +1 1.988703 -1.991000 1.993338 Rho 0.1270413E-01 |GRAD(Rho)| 0.1093366E-14 GRAD(Rho)x -0.6427643E-15 GRAD(Rho)y 0.6066189E-15 GRAD(Rho)z -0.6436738E-15 Laplacian 0.6035779E-01 (-1/4)Del**2(Rho)) -0.1508945E-01 Diamond 0.2192974E-02 Metallicity 0.7896867E+00 Ellipticity -0.1165424E+01 Gb(Abramov) 0.1204562E-01 Vb(Abramov) -0.9001795E-02 Hb(Abramov) 0.3043826E-02 Ex_ueg -0.2189333E-02 Ec_ueg -0.4921710E-03 Delta_ex -0.2898791E-02 Delta_ec 0.5814739E-03 Delta_et -0.4571482E-02 Pxc 0.4448317E+01 Qxc -0.4985247E+01 3,+1 84 3 +3 1.812807 -1.813943 1.814268 Rho 0.1232341E-01 |GRAD(Rho)| 0.1960465E-16 GRAD(Rho)x 0.1692191E-16 GRAD(Rho)y 0.4161397E-17 GRAD(Rho)z -0.8981883E-17 Laplacian 0.5634213E-01 (-1/4)Del**2(Rho)) -0.1408553E-01 Diamond 0.1220934E-02 Metallicity 0.8041396E+00 Ellipticity -0.6500041E+00 Gb(Abramov) 0.1127814E-01 Vb(Abramov) -0.8470755E-02 Hb(Abramov) 0.2807388E-02 Ex_ueg -0.2102291E-02 Ec_ueg -0.4745193E-03 Delta_ex -0.2476439E-02 Delta_ec 0.1733061E-03 Delta_et -0.1730626E-02 Pxc 0.4430361E+01 Qxc -0.1428939E+02 3,+3 85 3 +1 0.549544 -1.681542 -0.541942 Rho 0.8444017E-02 |GRAD(Rho)| 0.2281045E-16 GRAD(Rho)x -0.8914376E-17 GRAD(Rho)y 0.1806249E-16 GRAD(Rho)z 0.1070501E-16 Laplacian 0.3487188E-01 (-1/4)Del**2(Rho)) -0.8717970E-02 Diamond 0.9731113E-03 Metallicity 0.6919154E+00 Ellipticity -0.1448409E+01 Gb(Abramov) 0.6817329E-02 Vb(Abramov) -0.4916689E-02 Hb(Abramov) 0.1900640E-02 Ex_ueg -0.1269942E-02 Ec_ueg -0.2980064E-03 Delta_ex -0.1614759E-02 Delta_ec 0.5425425E-03 Delta_et -0.3648483E-02 Pxc 0.4261458E+01 Qxc -0.2976282E+01 3,+1 86 3 +1 1.998314 1.981951 -1.996635 Rho 0.1268167E-01 |GRAD(Rho)| 0.3721377E-13 GRAD(Rho)x 0.2914233E-13 GRAD(Rho)y 0.2003389E-13 GRAD(Rho)z 0.1158588E-13 Laplacian 0.6001189E-01 (-1/4)Del**2(Rho)) -0.1500297E-01 Diamond 0.2118800E-02 Metallicity 0.7918992E+00 Ellipticity -0.1150189E+01 Gb(Abramov) 0.1198212E-01 Vb(Abramov) -0.8961271E-02 Hb(Abramov) 0.3020850E-02 Ex_ueg -0.2184172E-02 Ec_ueg -0.4911279E-03 Delta_ex -0.2865664E-02 Delta_ec 0.5511633E-03 Delta_et -0.4358612E-02 Pxc 0.4447257E+01 Qxc -0.5199302E+01 3,+1 87 3 -1 1.693061 1.690754 -0.498622 Rho 0.3931561E-01 |GRAD(Rho)| 0.1602706E-15 GRAD(Rho)x 0.1251504E-15 GRAD(Rho)y 0.9518681E-16 GRAD(Rho)z -0.3104037E-16 Laplacian 0.1567521E+00 (-1/4)Del**2(Rho)) -0.3918802E-01 Diamond 0.5640875E-01 Metallicity 0.1998366E+01 Ellipticity 0.1063437E-01 Gb(Abramov) 0.3917734E-01 Vb(Abramov) -0.3916667E-01 Hb(Abramov) 0.1067363E-04 Ex_ueg -0.9873515E-02 Ec_ueg -0.1833406E-02 Delta_ex -0.1209787E-01 Delta_ec 0.4583121E-02 Delta_et -0.4532680E-01 Pxc 0.5385341E+01 Qxc -0.2639658E+01 3,-1 88 3 +1 1.755660 1.758298 1.760245 Rho 0.1245533E-01 |GRAD(Rho)| 0.2173648E-13 GRAD(Rho)x 0.1842587E-13 GRAD(Rho)y -0.8062182E-14 GRAD(Rho)z -0.8243981E-14 Laplacian 0.6310223E-01 (-1/4)Del**2(Rho)) -0.1577556E-01 Diamond 0.2650509E-02 Metallicity 0.7308481E+00 Ellipticity -0.1245834E+01 Gb(Abramov) 0.1243863E-01 Vb(Abramov) -0.9101699E-02 Hb(Abramov) 0.3336930E-02 Ex_ueg -0.2132351E-02 Ec_ueg -0.4806292E-03 Delta_ex -0.3129519E-02 Delta_ec 0.8138907E-03 Delta_et -0.6162463E-02 Pxc 0.4436582E+01 Qxc -0.3845135E+01 3,+1 89 3 -1 1.985122 2.973158 -0.844717 Rho 0.1431267E+00 |GRAD(Rho)| 0.1250858E-14 GRAD(Rho)x 0.1131419E-14 GRAD(Rho)y 0.5334004E-15 GRAD(Rho)z 0.4634964E-17 Laplacian 0.5719092E+00 (-1/4)Del**2(Rho)) -0.1429773E+00 Diamond 0.1100847E+01 Metallicity 0.4718679E+01 Ellipticity 0.2764420E-01 Gb(Abramov) 0.2077622E+00 Vb(Abramov) -0.2725471E+00 Hb(Abramov) -0.6478491E-01 Ex_ueg -0.5529416E-01 Ec_ueg -0.8004985E-02 Delta_ex -0.6077265E-01 Delta_ec 0.1478113E-01 Delta_et -0.1956684E+00 Pxc 0.6907465E+01 Qxc -0.4111504E+01 3,-1 90 3 -1 1.811272 2.782363 0.573678 Rho 0.1414648E+00 |GRAD(Rho)| 0.2054549E-15 GRAD(Rho)x -0.1141800E-15 GRAD(Rho)y 0.8204700E-16 GRAD(Rho)z 0.1498096E-15 Laplacian 0.5967804E+00 (-1/4)Del**2(Rho)) -0.1491951E+00 Diamond 0.1130157E+01 Metallicity 0.4434853E+01 Ellipticity 0.9139650E-02 Gb(Abramov) 0.2097398E+00 Vb(Abramov) -0.2702844E+00 Hb(Abramov) -0.6054468E-01 Ex_ueg -0.5443976E-01 Ec_ueg -0.7899396E-02 Delta_ex -0.6320769E-01 Delta_ec 0.1541871E-01 Delta_et -0.2036487E+00 Pxc 0.6891635E+01 Qxc -0.4099416E+01 3,-1 91 3 -1 3.202033 -3.213101 -0.049099 Rho 0.2575905E+00 |GRAD(Rho)| 0.1130375E-15 GRAD(Rho)x -0.7155734E-16 GRAD(Rho)y 0.4195862E-16 GRAD(Rho)z 0.7678862E-16 Laplacian 0.9167595E+00 (-1/4)Del**2(Rho)) -0.2291899E+00 Diamond 0.3531870E+01 Metallicity 0.7838644E+01 Ellipticity 0.8930396E-03 Gb(Abramov) 0.4522162E+00 Vb(Abramov) -0.6752426E+00 Hb(Abramov) -0.2230263E+00 Ex_ueg -0.1210482E+00 Ec_ueg -0.1566356E-01 Delta_ex -0.1128433E+00 Delta_ec 0.1983583E-01 Delta_et -0.2752879E+00 Pxc 0.7728010E+01 Qxc -0.5688861E+01 3,-1 92 3 -1 2.790703 -0.592114 -1.806393 Rho 0.1462922E+00 |GRAD(Rho)| 0.2694151E-12 GRAD(Rho)x 0.2021183E-12 GRAD(Rho)y 0.4910231E-13 GRAD(Rho)z 0.1712357E-12 Laplacian 0.6189713E+00 (-1/4)Del**2(Rho)) -0.1547428E+00 Diamond 0.1220409E+01 Metallicity 0.4521801E+01 Ellipticity 0.9045372E-02 Gb(Abramov) 0.2197813E+00 Vb(Abramov) -0.2848197E+00 Hb(Abramov) -0.6503843E-01 Ex_ueg -0.5693073E-01 Ec_ueg -0.8206588E-02 Delta_ex -0.6609773E-01 Delta_ec 0.1586138E-01 Delta_et -0.2105325E+00 Pxc 0.6937199E+01 Qxc -0.4167211E+01 3,-1 93 3 -1 2.972443 -1.983433 0.842564 Rho 0.1446524E+00 |GRAD(Rho)| 0.4204996E-13 GRAD(Rho)x -0.1679485E-13 GRAD(Rho)y -0.2398969E-13 GRAD(Rho)z -0.3017660E-13 Laplacian 0.5795178E+00 (-1/4)Del**2(Rho)) -0.1448794E+00 Diamond 0.1129252E+01 Metallicity 0.4739754E+01 Ellipticity 0.2689983E-01 Gb(Abramov) 0.2110351E+00 Vb(Abramov) -0.2771908E+00 Hb(Abramov) -0.6615569E-01 Ex_ueg -0.5608146E-01 Ec_ueg -0.8102075E-02 Delta_ex -0.6173511E-01 Delta_ec 0.1492889E-01 Delta_et -0.1979124E+00 Pxc 0.6921864E+01 Qxc -0.4135279E+01 3,-1 94 3 -1 -2.954817 -0.838344 -1.994144 Rho 0.1466117E+00 |GRAD(Rho)| 0.1818239E-15 GRAD(Rho)x -0.1517883E-17 GRAD(Rho)y -0.1468823E-15 GRAD(Rho)z 0.1071598E-15 Laplacian 0.5855531E+00 (-1/4)Del**2(Rho)) -0.1463883E+00 Diamond 0.1157589E+01 Metallicity 0.4797274E+01 Ellipticity 0.3247221E-01 Gb(Abramov) 0.2146363E+00 Vb(Abramov) -0.2828843E+00 Hb(Abramov) -0.6824801E-01 Ex_ueg -0.5709654E-01 Ec_ueg -0.8226966E-02 Delta_ex -0.6256293E-01 Delta_ec 0.1499771E-01 Delta_et -0.1991330E+00 Pxc 0.6940169E+01 Qxc -0.4171498E+01 3,-1 95 3 +1 -1.761518 -1.743724 1.756700 Rho 0.1246534E-01 |GRAD(Rho)| 0.2273035E-16 GRAD(Rho)x -0.1190485E-16 GRAD(Rho)y 0.1842828E-16 GRAD(Rho)z 0.5944903E-17 Laplacian 0.6319536E-01 (-1/4)Del**2(Rho)) -0.1579884E-01 Diamond 0.2657324E-02 Metallicity 0.7307488E+00 Ellipticity -0.1243661E+01 Gb(Abramov) 0.1245672E-01 Vb(Abramov) -0.9114608E-02 Hb(Abramov) 0.3342116E-02 Ex_ueg -0.2134636E-02 Ec_ueg -0.4810931E-03 Delta_ex -0.3134798E-02 Delta_ec 0.8150796E-03 Delta_et -0.6172679E-02 Pxc 0.4437054E+01 Qxc -0.3846002E+01 3,+1 96 3 -1 -1.670844 -0.496142 -1.713562 Rho 0.4158852E-01 |GRAD(Rho)| 0.1644598E-12 GRAD(Rho)x -0.9879466E-13 GRAD(Rho)y 0.1229782E-12 GRAD(Rho)z 0.4650821E-13 Laplacian 0.1669507E+00 (-1/4)Del**2(Rho)) -0.4173766E-01 Diamond 0.6516963E-01 Metallicity 0.2060539E+01 Ellipticity 0.1440056E-01 Gb(Abramov) 0.4215879E-01 Vb(Abramov) -0.4257991E-01 Hb(Abramov) -0.4211243E-03 Ex_ueg -0.1064183E-01 Ec_ueg -0.1955486E-02 Delta_ex -0.1308408E-01 Delta_ec 0.4910792E-02 Delta_et -0.4930867E-01 Pxc 0.5442038E+01 Qxc -0.2664352E+01 3,-1 97 3 -1 -3.174518 0.057413 -3.216262 Rho 0.2574112E+00 |GRAD(Rho)| 0.2530196E-13 GRAD(Rho)x 0.1644236E-13 GRAD(Rho)y -0.2562946E-14 GRAD(Rho)z 0.1905962E-13 Laplacian 0.9270479E+00 (-1/4)Del**2(Rho)) -0.2317620E+00 Diamond 0.3558897E+01 Metallicity 0.7742656E+01 Ellipticity 0.3329091E-02 Gb(Abramov) 0.4535835E+00 Vb(Abramov) -0.6754050E+00 Hb(Abramov) -0.2218215E+00 Ex_ueg -0.1209358E+00 Ec_ueg -0.1565099E-01 Delta_ex -0.1140421E+00 Delta_ec 0.1997951E-01 Delta_et -0.2768779E+00 Pxc 0.7727037E+01 Qxc -0.5707954E+01 3,-1 98 3 -1 -2.744580 0.565076 -1.814382 Rho 0.1198837E+00 |GRAD(Rho)| 0.7270835E-14 GRAD(Rho)x 0.1049464E-14 GRAD(Rho)y -0.4675270E-14 GRAD(Rho)z -0.5468594E-14 Laplacian 0.4991208E+00 (-1/4)Del**2(Rho)) -0.1247802E+00 Diamond 0.7833097E+00 Metallicity 0.4024153E+01 Ellipticity 0.1508585E-01 Gb(Abramov) 0.1668759E+00 Vb(Abramov) -0.2089716E+00 Hb(Abramov) -0.4209571E-01 Ex_ueg -0.4365815E-01 Ec_ueg -0.6544545E-02 Delta_ex -0.5091249E-01 Delta_ec 0.1362089E-01 Delta_et -0.1754605E+00 Pxc 0.6670923E+01 Qxc -0.3737824E+01 3,-1 99 3 +3 -2.351568 -0.034309 -0.028157 Rho 0.4553458E-02 |GRAD(Rho)| 0.3432207E-17 GRAD(Rho)x 0.1828905E-17 GRAD(Rho)y -0.4989090E-18 GRAD(Rho)z -0.2861161E-17 Laplacian 0.1922332E-01 (-1/4)Del**2(Rho)) -0.4805830E-02 Diamond 0.1802803E-03 Metallicity 0.4484220E+00 Ellipticity -0.3286674E+00 Gb(Abramov) 0.3563060E-02 Vb(Abramov) -0.2320290E-02 Hb(Abramov) 0.1242770E-02 Ex_ueg -0.5574083E-03 Ec_ueg -0.1277472E-03 Delta_ex -0.7125760E-03 Delta_ec 0.2014427E-03 Delta_et -0.1228464E-02 Pxc 0.4363372E+01 Qxc -0.3537362E+01 3,+3 100 3 -1 -2.966352 0.843970 1.971021 Rho 0.1377019E+00 |GRAD(Rho)| 0.2057863E-15 GRAD(Rho)x -0.1139768E-16 GRAD(Rho)y 0.1634435E-16 GRAD(Rho)z -0.2048193E-15 Laplacian 0.5525967E+00 (-1/4)Del**2(Rho)) -0.1381492E+00 Diamond 0.1016779E+01 Metallicity 0.4579010E+01 Ellipticity 0.3724519E-01 Gb(Abramov) 0.1975305E+00 Vb(Abramov) -0.2569118E+00 Hb(Abramov) -0.5938134E-01 Ex_ueg -0.5251762E-01 Ec_ueg -0.7660970E-02 Delta_ex -0.5818609E-01 Delta_ec 0.1444361E-01 Delta_et -0.1901368E+00 Pxc 0.6855219E+01 Qxc -0.4028501E+01 3,-1 101 3 +1 1.682244 -0.549788 -0.540412 Rho 0.8525957E-02 |GRAD(Rho)| 0.4000951E-13 GRAD(Rho)x -0.1217745E-13 GRAD(Rho)y -0.9131188E-14 GRAD(Rho)z 0.3700124E-13 Laplacian 0.3525732E-01 (-1/4)Del**2(Rho)) -0.8814330E-02 Diamond 0.9970096E-03 Metallicity 0.6954550E+00 Ellipticity -0.1451073E+01 Gb(Abramov) 0.6897882E-02 Vb(Abramov) -0.4981433E-02 Hb(Abramov) 0.1916448E-02 Ex_ueg -0.1286400E-02 Ec_ueg -0.3016684E-03 Delta_ex -0.1636585E-02 Delta_ec 0.5486439E-03 Delta_et -0.3698848E-02 Pxc 0.4264283E+01 Qxc -0.2982965E+01 3,+1 102 3 +3 1.094449 1.108111 1.111432 Rho 0.4933631E-02 |GRAD(Rho)| 0.2570121E-11 GRAD(Rho)x -0.1761579E-11 GRAD(Rho)y 0.8274903E-12 GRAD(Rho)z -0.1678577E-11 Laplacian 0.2018003E-01 (-1/4)Del**2(Rho)) -0.5045007E-02 Diamond 0.1480440E-03 Metallicity 0.4882428E+00 Ellipticity -0.8432403E-01 Gb(Abramov) 0.3773869E-02 Vb(Abramov) -0.2502732E-02 Hb(Abramov) 0.1271138E-02 Ex_ueg -0.6203079E-03 Ec_ueg -0.1440578E-03 Delta_ex -0.7037716E-03 Delta_ec 0.1052248E-03 Delta_et -0.7838530E-03 Pxc 0.4305965E+01 Qxc -0.6688270E+01 3,+3 103 3 +3 -0.036751 0.047486 2.344548 Rho 0.4240688E-02 |GRAD(Rho)| 0.1271246E-16 GRAD(Rho)x -0.5514733E-17 GRAD(Rho)y -0.1045216E-16 GRAD(Rho)z -0.4684733E-17 Laplacian 0.1742132E-01 (-1/4)Del**2(Rho)) -0.4355330E-02 Diamond 0.1433286E-03 Metallicity 0.4394667E+00 Ellipticity -0.2533697E+00 Gb(Abramov) 0.3222557E-02 Vb(Abramov) -0.2089784E-02 Hb(Abramov) 0.1132773E-02 Ex_ueg -0.5069520E-03 Ec_ueg -0.1143843E-03 Delta_ex -0.6285824E-03 Delta_ec 0.1721631E-03 Delta_et -0.1044237E-02 Pxc 0.4432007E+01 Qxc -0.3651086E+01 3,+3 104 3 +3 1.111619 -1.115498 -1.098835 Rho 0.4976470E-02 |GRAD(Rho)| 0.1456691E-16 GRAD(Rho)x 0.9261661E-18 GRAD(Rho)y 0.4083675E-17 GRAD(Rho)z 0.1395209E-16 Laplacian 0.2038116E-01 (-1/4)Del**2(Rho)) -0.5095290E-02 Diamond 0.1508176E-03 Metallicity 0.4904408E+00 Ellipticity -0.2037886E-01 Gb(Abramov) 0.3813350E-02 Vb(Abramov) -0.2531409E-02 Hb(Abramov) 0.1281940E-02 Ex_ueg -0.6274998E-03 Ec_ueg -0.1459004E-03 Delta_ex -0.7120225E-03 Delta_ec 0.1054729E-03 Delta_et -0.7889402E-03 Pxc 0.4300879E+01 Qxc -0.6750763E+01 3,+3 105 3 -1 -1.703094 0.506290 1.668994 Rho 0.3659133E-01 |GRAD(Rho)| 0.7848962E-16 GRAD(Rho)x -0.5377177E-16 GRAD(Rho)y -0.2650197E-16 GRAD(Rho)z 0.5066422E-16 Laplacian 0.1437984E+00 (-1/4)Del**2(Rho)) -0.3594961E-01 Diamond 0.4656838E-01 Metallicity 0.1932663E+01 Ellipticity 0.1242075E-01 Gb(Abramov) 0.3554615E-01 Vb(Abramov) -0.3514269E-01 Hb(Abramov) 0.4034595E-03 Ex_ueg -0.8972002E-02 Ec_ueg -0.1688345E-02 Delta_ex -0.1087864E-01 Delta_ec 0.4163857E-02 Delta_et -0.4038683E-01 Pxc 0.5314080E+01 Qxc -0.2612637E+01 3,-1 106 3 +1 0.084654 0.079303 -2.893502 Rho 0.5064500E-02 |GRAD(Rho)| 0.7505947E-17 GRAD(Rho)x 0.3487387E-17 GRAD(Rho)y -0.6646496E-17 GRAD(Rho)z -0.3819492E-19 Laplacian 0.2071513E-01 (-1/4)Del**2(Rho)) -0.5178783E-02 Diamond 0.5241749E-03 Metallicity 0.4968436E+00 Ellipticity -0.6756818E+01 Gb(Abramov) 0.3881363E-02 Vb(Abramov) -0.2583943E-02 Hb(Abramov) 0.1297420E-02 Ex_ueg -0.6423432E-03 Ec_ueg -0.1496895E-03 Delta_ex -0.1062338E-02 Delta_ec 0.7055983E-03 Delta_et -0.3825251E-02 Pxc 0.4291170E+01 Qxc -0.1505585E+01 3,+1 107 3 -1 -0.375008 0.383702 0.327963 Rho 0.1987760E+00 |GRAD(Rho)| 0.8675160E-14 GRAD(Rho)x 0.6469705E-14 GRAD(Rho)y -0.4329825E-14 GRAD(Rho)z -0.3828045E-14 Laplacian 0.6869204E+00 (-1/4)Del**2(Rho)) -0.1717301E+00 Diamond 0.2183313E+01 Metallicity 0.6791723E+01 Ellipticity 0.1208722E-01 Gb(Abramov) 0.3088773E+00 Vb(Abramov) -0.4460245E+00 Hb(Abramov) -0.1371472E+00 Ex_ueg -0.8567819E-01 Ec_ueg -0.1163615E-01 Delta_ex -0.8073789E-01 Delta_ec 0.1902357E-01 Delta_et -0.2710563E+00 Pxc 0.7363107E+01 Qxc -0.4244098E+01 3,-1 108 3 -1 -0.481618 -1.690070 -1.696828 Rho 0.3914496E-01 |GRAD(Rho)| 0.7546356E-16 GRAD(Rho)x 0.2624945E-16 GRAD(Rho)y -0.3341037E-16 GRAD(Rho)z -0.6236555E-16 Laplacian 0.1555143E+00 (-1/4)Del**2(Rho)) -0.3887858E-01 Diamond 0.5565823E-01 Metallicity 0.1999720E+01 Ellipticity 0.1667577E-01 Gb(Abramov) 0.3887676E-01 Vb(Abramov) -0.3887495E-01 Hb(Abramov) 0.1813317E-05 Ex_ueg -0.9816414E-02 Ec_ueg -0.1824278E-02 Delta_ex -0.1199087E-01 Delta_ec 0.4549730E-02 Delta_et -0.4494424E-01 Pxc 0.5380986E+01 Qxc -0.2635513E+01 3,-1 109 3 +3 2.353719 -0.005531 -0.000715 Rho 0.4345549E-02 |GRAD(Rho)| 0.6969796E-17 GRAD(Rho)x 0.4060577E-17 GRAD(Rho)y -0.4065881E-17 GRAD(Rho)z -0.3944411E-17 Laplacian 0.1794457E-01 (-1/4)Del**2(Rho)) -0.4486144E-02 Diamond 0.1570214E-03 Metallicity 0.4443799E+00 Ellipticity -0.2778909E+00 Gb(Abramov) 0.3323021E-02 Vb(Abramov) -0.2159899E-02 Hb(Abramov) 0.1163123E-02 Ex_ueg -0.5237346E-03 Ec_ueg -0.1188587E-03 Delta_ex -0.6563979E-03 Delta_ec 0.1861664E-03 Delta_et -0.1124457E-02 Pxc 0.4406362E+01 Qxc -0.3525868E+01 3,+3 110 3 +1 0.511959 0.586708 1.679883 Rho 0.8242333E-02 |GRAD(Rho)| 0.9708123E-17 GRAD(Rho)x -0.3218640E-17 GRAD(Rho)y -0.3506372E-17 GRAD(Rho)z -0.8461287E-17 Laplacian 0.3392277E-01 (-1/4)Del**2(Rho)) -0.8480693E-02 Diamond 0.9052863E-03 Metallicity 0.6831857E+00 Ellipticity -0.1429519E+01 Gb(Abramov) 0.6619443E-02 Vb(Abramov) -0.4758194E-02 Hb(Abramov) 0.1861250E-02 Ex_ueg -0.1229661E-02 Ec_ueg -0.2890056E-03 Delta_ex -0.1556316E-02 Delta_ec 0.5186548E-03 Delta_et -0.3472435E-02 Pxc 0.4254798E+01 Qxc -0.3000679E+01 3,+1 111 3 +1 -0.500750 1.682342 -0.576588 Rho 0.9411743E-02 |GRAD(Rho)| 0.5627185E-16 GRAD(Rho)x -0.2264670E-16 GRAD(Rho)y -0.1821145E-16 GRAD(Rho)z 0.4818704E-16 Laplacian 0.4029900E-01 (-1/4)Del**2(Rho)) -0.1007475E-01 Diamond 0.1275102E-02 Metallicity 0.7174126E+00 Ellipticity -0.1427781E+01 Gb(Abramov) 0.7921126E-02 Vb(Abramov) -0.5767501E-02 Hb(Abramov) 0.2153625E-02 Ex_ueg -0.1467614E-02 Ec_ueg -0.3414445E-03 Delta_ex -0.1905880E-02 Delta_ec 0.6066543E-03 Delta_et -0.4212234E-02 Pxc 0.4298250E+01 Qxc -0.3141625E+01 3,+1 112 3 +1 1.170122 -1.159707 2.107850 Rho 0.2536732E-01 |GRAD(Rho)| 0.8152580E-16 GRAD(Rho)x -0.1889281E-16 GRAD(Rho)y 0.2339488E-16 GRAD(Rho)z -0.7577728E-16 Laplacian 0.1034599E+00 (-1/4)Del**2(Rho)) -0.2586496E-01 Diamond 0.1541568E-01 Metallicity 0.1458699E+01 Ellipticity -0.7890032E+01 Gb(Abramov) 0.2353151E-01 Vb(Abramov) -0.2119805E-01 Hb(Abramov) 0.2333455E-02 Ex_ueg -0.5504923E-02 Ec_ueg -0.1107226E-02 Delta_ex -0.6631238E-02 Delta_ec 0.2061774E-02 Delta_et -0.1819681E-01 Pxc 0.4971815E+01 Qxc -0.3216278E+01 3,+1 113 3 -1 1.678952 -1.682005 0.496551 Rho 0.3573532E-01 |GRAD(Rho)| 0.2106660E-16 GRAD(Rho)x 0.1345522E-16 GRAD(Rho)y -0.1424604E-16 GRAD(Rho)z -0.7733623E-17 Laplacian 0.1397568E+00 (-1/4)Del**2(Rho)) -0.3493920E-01 Diamond 0.4376252E-01 Metallicity 0.1911626E+01 Ellipticity 0.1122339E-01 Gb(Abramov) 0.3442458E-01 Vb(Abramov) -0.3390997E-01 Hb(Abramov) 0.5146180E-03 Ex_ueg -0.8693246E-02 Ec_ueg -0.1643062E-02 Delta_ex -0.1050691E-01 Delta_ec 0.4039850E-02 Delta_et -0.3893312E-01 Pxc 0.5290880E+01 Qxc -0.2600817E+01 3,-1 114 3 +1 2.093278 -1.222477 1.128701 Rho 0.2432739E-01 |GRAD(Rho)| 0.9079487E-14 GRAD(Rho)x 0.7294691E-14 GRAD(Rho)y -0.5384119E-14 GRAD(Rho)z -0.4856378E-15 Laplacian 0.9712907E-01 (-1/4)Del**2(Rho)) -0.2428227E-01 Diamond 0.1335586E-01 Metallicity 0.1449071E+01 Ellipticity -0.6049442E+01 Gb(Abramov) 0.2205263E-01 Vb(Abramov) -0.1982300E-01 Hb(Abramov) 0.2229633E-02 Ex_ueg -0.5206099E-02 Ec_ueg -0.1054909E-02 Delta_ex -0.6123296E-02 Delta_ec 0.1873525E-02 Delta_et -0.1637124E-01 Pxc 0.4935116E+01 Qxc -0.3268328E+01 3,+1 115 3 -1 1.973927 -0.835566 2.968513 Rho 0.1445398E+00 |GRAD(Rho)| 0.5697538E-16 GRAD(Rho)x -0.3808260E-17 GRAD(Rho)y 0.5659535E-16 GRAD(Rho)z -0.5353248E-17 Laplacian 0.5776904E+00 (-1/4)Del**2(Rho)) -0.1444226E+00 Diamond 0.1124060E+01 Metallicity 0.4748582E+01 Ellipticity 0.2844332E-01 Gb(Abramov) 0.2105821E+00 Vb(Abramov) -0.2767417E+00 Hb(Abramov) -0.6615955E-01 Ex_ueg -0.5602327E-01 Ec_ueg -0.8094905E-02 Delta_ex -0.6152268E-01 Delta_ec 0.1487385E-01 Delta_et -0.1971368E+00 Pxc 0.6920806E+01 Qxc -0.4136299E+01 3,-1 116 3 +1 1.230086 2.112640 -1.153344 Rho 0.2574755E-01 |GRAD(Rho)| 0.9405123E-16 GRAD(Rho)x 0.3294167E-16 GRAD(Rho)y 0.8733150E-16 GRAD(Rho)z -0.1156242E-16 Laplacian 0.1040368E+00 (-1/4)Del**2(Rho)) -0.2600920E-01 Diamond 0.1542915E-01 Metallicity 0.1487028E+01 Ellipticity -0.6431648E+01 Gb(Abramov) 0.2378554E-01 Vb(Abramov) -0.2156187E-01 Hb(Abramov) 0.2223665E-02 Ex_ueg -0.5615212E-02 Ec_ueg -0.1126425E-02 Delta_ex -0.6653160E-02 Delta_ec 0.2000143E-02 Delta_et -0.1773355E-01 Pxc 0.4984985E+01 Qxc -0.3326342E+01 3,+1 117 3 -1 2.973888 -0.843099 1.975000 Rho 0.1455465E+00 |GRAD(Rho)| 0.2559284E-15 GRAD(Rho)x -0.7041893E-16 GRAD(Rho)y 0.1842331E-15 GRAD(Rho)z 0.1630911E-15 Laplacian 0.5829324E+00 (-1/4)Del**2(Rho)) -0.1457331E+00 Diamond 0.1144557E+01 Metallicity 0.4760630E+01 Ellipticity 0.2873398E-01 Gb(Abramov) 0.2127856E+00 Vb(Abramov) -0.2798382E+00 Hb(Abramov) -0.6705253E-01 Ex_ueg -0.5654410E-01 Ec_ueg -0.8159036E-02 Delta_ex -0.6219466E-01 Delta_ec 0.1499810E-01 Delta_et -0.1990179E+00 Pxc 0.6930243E+01 Qxc -0.4146835E+01 3,-1 118 3 +1 1.251459 1.121773 -2.125888 Rho 0.2555891E-01 |GRAD(Rho)| 0.2306330E-14 GRAD(Rho)x 0.1528167E-14 GRAD(Rho)y -0.3616045E-15 GRAD(Rho)z -0.1689114E-14 Laplacian 0.1024706E+00 (-1/4)Del**2(Rho)) -0.2561764E-01 Diamond 0.1479156E-01 Metallicity 0.1491367E+01 Ellipticity -0.5510673E+01 Gb(Abramov) 0.2344598E-01 Vb(Abramov) -0.2127432E-01 Hb(Abramov) 0.2171663E-02 Ex_ueg -0.5560427E-02 Ec_ueg -0.1116895E-02 Delta_ex -0.6513736E-02 Delta_ec 0.1922472E-02 Delta_et -0.1702219E-01 Pxc 0.4978467E+01 Qxc -0.3388209E+01 3,+1 119 3 -1 3.206902 0.052740 3.196435 Rho 0.2572424E+00 |GRAD(Rho)| 0.8442202E-12 GRAD(Rho)x -0.5892179E-12 GRAD(Rho)y -0.1435040E-12 GRAD(Rho)z -0.5873131E-12 Laplacian 0.9202799E+00 (-1/4)Del**2(Rho)) -0.2300700E+00 Diamond 0.3534912E+01 Metallicity 0.7791074E+01 Ellipticity 0.1634244E-02 Gb(Abramov) 0.4521287E+00 Vb(Abramov) -0.6741874E+00 Hb(Abramov) -0.2220587E+00 Ex_ueg -0.1208301E+00 Ec_ueg -0.1563916E-01 Delta_ex -0.1132132E+00 Delta_ec 0.1987912E-01 Delta_et -0.2756850E+00 Pxc 0.7726121E+01 Qxc -0.5695082E+01 3,-1 120 3 +1 -2.099767 1.003723 1.347269 Rho 0.2647806E-01 |GRAD(Rho)| 0.3768681E-16 GRAD(Rho)x 0.2809065E-16 GRAD(Rho)y 0.1903809E-16 GRAD(Rho)z -0.1639396E-16 Laplacian 0.1039464E+00 (-1/4)Del**2(Rho)) -0.2598661E-01 Diamond 0.1349134E-01 Metallicity 0.1559363E+01 Ellipticity -0.2733264E+01 Gb(Abramov) 0.2407817E-01 Vb(Abramov) -0.2216972E-01 Hb(Abramov) 0.1908444E-02 Ex_ueg -0.5828633E-02 Ec_ueg -0.1163417E-02 Delta_ex -0.6442047E-02 Delta_ec 0.1544294E-02 Delta_et -0.1386548E-01 Pxc 0.5009928E+01 Qxc -0.4171517E+01 3,+1 121 3 -1 -1.789630 0.567416 -2.792832 Rho 0.1457975E+00 |GRAD(Rho)| 0.4946657E-09 GRAD(Rho)x 0.3508790E-09 GRAD(Rho)y 0.3339019E-09 GRAD(Rho)z -0.1004368E-09 Laplacian 0.6186364E+00 (-1/4)Del**2(Rho)) -0.1546591E+00 Diamond 0.1213683E+01 Metallicity 0.4498778E+01 Ellipticity 0.9847014E-02 Gb(Abramov) 0.2190689E+00 Vb(Abramov) -0.2834787E+00 Hb(Abramov) -0.6440980E-01 Ex_ueg -0.5667418E-01 Ec_ueg -0.8175040E-02 Delta_ex -0.6599570E-01 Delta_ec 0.1584545E-01 Delta_et -0.2101728E+00 Pxc 0.6932588E+01 Qxc -0.4164961E+01 3,-1 122 3 -1 -0.490574 1.702447 1.671804 Rho 0.3709488E-01 |GRAD(Rho)| 0.1024764E-12 GRAD(Rho)x 0.6717248E-13 GRAD(Rho)y 0.5008520E-14 GRAD(Rho)z 0.7722818E-13 Laplacian 0.1455005E+00 (-1/4)Del**2(Rho)) -0.3637512E-01 Diamond 0.4811819E-01 Metallicity 0.1954063E+01 Ellipticity 0.1872272E-01 Gb(Abramov) 0.3609662E-01 Vb(Abramov) -0.3581813E-01 Hb(Abramov) 0.2784919E-03 Ex_ueg -0.9137000E-02 Ec_ueg -0.1715050E-02 Delta_ex -0.1105208E-01 Delta_ec 0.4225886E-02 Delta_et -0.4114113E-01 Pxc 0.5327540E+01 Qxc -0.2615329E+01 3,-1 123 3 -1 0.363744 0.372555 -0.383996 Rho 0.2040397E+00 |GRAD(Rho)| 0.1297914E-15 GRAD(Rho)x -0.4097628E-16 GRAD(Rho)y -0.7114194E-16 GRAD(Rho)z -0.1005265E-15 Laplacian 0.7439678E+00 (-1/4)Del**2(Rho)) -0.1859919E+00 Diamond 0.2427115E+01 Metallicity 0.6550135E+01 Ellipticity 0.1104671E-02 Gb(Abramov) 0.3270400E+00 Vb(Abramov) -0.4680881E+00 Hb(Abramov) -0.1410481E+00 Ex_ueg -0.8871657E-01 Ec_ueg -0.1198881E-01 Delta_ex -0.8792529E-01 Delta_ec 0.2031479E-01 Delta_et -0.2899871E+00 Pxc 0.7399947E+01 Qxc -0.4328142E+01 3,-1 124 3 -1 0.584109 -1.816271 -2.779981 Rho 0.1437446E+00 |GRAD(Rho)| 0.2974044E-15 GRAD(Rho)x -0.2212179E-15 GRAD(Rho)y -0.1508667E-15 GRAD(Rho)z 0.1294266E-15 Laplacian 0.6065762E+00 (-1/4)Del**2(Rho)) -0.1516441E+00 Diamond 0.1169182E+01 Metallicity 0.4481057E+01 Ellipticity 0.8012819E-02 Gb(Abramov) 0.2143503E+00 Vb(Abramov) -0.2770566E+00 Hb(Abramov) -0.6270626E-01 Ex_ueg -0.5561269E-01 Ec_ueg -0.8044290E-02 Delta_ex -0.6447731E-01 Delta_ec 0.1557679E-01 Delta_et -0.2061525E+00 Pxc 0.6913312E+01 Qxc -0.4139320E+01 3,-1 125 3 +3 0.002317 -2.343614 -0.004879 Rho 0.4344585E-02 |GRAD(Rho)| 0.6104077E-17 GRAD(Rho)x -0.5701252E-17 GRAD(Rho)y 0.2152900E-17 GRAD(Rho)z 0.3471471E-18 Laplacian 0.1793201E-01 (-1/4)Del**2(Rho)) -0.4483003E-02 Diamond 0.1552093E-03 Metallicity 0.4445268E+00 Ellipticity -0.2862155E+00 Gb(Abramov) 0.3320805E-02 Vb(Abramov) -0.2158606E-02 Hb(Abramov) 0.1162199E-02 Ex_ueg -0.5235797E-03 Ec_ueg -0.1188176E-03 Delta_ex -0.6540487E-03 Delta_ec 0.1827269E-03 Delta_et -0.1107735E-02 Pxc 0.4406584E+01 Qxc -0.3579378E+01 3,+3 126 3 -1 0.472688 -1.671162 1.688654 Rho 0.3895772E-01 |GRAD(Rho)| 0.2443063E-16 GRAD(Rho)x 0.1805144E-16 GRAD(Rho)y 0.1645976E-16 GRAD(Rho)z -0.2786738E-18 Laplacian 0.1552383E+00 (-1/4)Del**2(Rho)) -0.3880958E-01 Diamond 0.5534249E-01 Metallicity 0.1987331E+01 Ellipticity 0.1146767E-01 Gb(Abramov) 0.3872763E-01 Vb(Abramov) -0.3864568E-01 Hb(Abramov) 0.8194943E-04 Ex_ueg -0.9753857E-02 Ec_ueg -0.1814269E-02 Delta_ex -0.1196402E-01 Delta_ec 0.4557271E-02 Delta_et -0.4496221E-01 Pxc 0.5376192E+01 Qxc -0.2625259E+01 3,-1 127 3 -1 0.830739 -1.967309 2.968342 Rho 0.1440252E+00 |GRAD(Rho)| 0.2544468E-14 GRAD(Rho)x -0.1800846E-14 GRAD(Rho)y -0.1618389E-14 GRAD(Rho)z -0.7823603E-15 Laplacian 0.5754835E+00 (-1/4)Del**2(Rho)) -0.1438709E+00 Diamond 0.1115485E+01 Metallicity 0.4738540E+01 Ellipticity 0.2781676E-01 Gb(Abramov) 0.2095369E+00 Vb(Abramov) -0.2752029E+00 Hb(Abramov) -0.6566602E-01 Ex_ueg -0.5575748E-01 Ec_ueg -0.8062146E-02 Delta_ex -0.6123960E-01 Delta_ec 0.1483948E-01 Delta_et -0.1965987E+00 Pxc 0.6915960E+01 Qxc -0.4126804E+01 3,-1 128 3 -1 1.816698 -0.584423 -2.778568 Rho 0.1419736E+00 |GRAD(Rho)| 0.1878116E-15 GRAD(Rho)x 0.1438601E-15 GRAD(Rho)y 0.1206310E-15 GRAD(Rho)z -0.5061869E-17 Laplacian 0.5987714E+00 (-1/4)Del**2(Rho)) -0.1496928E+00 Diamond 0.1138061E+01 Metallicity 0.4446637E+01 Ellipticity 0.8691796E-02 Gb(Abramov) 0.2107335E+00 Vb(Abramov) -0.2717742E+00 Hb(Abramov) -0.6104067E-01 Ex_ueg -0.5470101E-01 Ec_ueg -0.7931708E-02 Delta_ex -0.6346587E-01 Delta_ec 0.1544190E-01 Delta_et -0.2040335E+00 Pxc 0.6896499E+01 Qxc -0.4109978E+01 3,-1 129 3 -1 1.679165 -0.477158 1.688942 Rho 0.3863287E-01 |GRAD(Rho)| 0.3326393E-16 GRAD(Rho)x 0.3258642E-16 GRAD(Rho)y 0.6157506E-17 GRAD(Rho)z -0.2588321E-17 Laplacian 0.1537814E+00 (-1/4)Del**2(Rho)) -0.3844535E-01 Diamond 0.5415160E-01 Metallicity 0.1978355E+01 Ellipticity 0.1315925E-01 Gb(Abramov) 0.3830666E-01 Vb(Abramov) -0.3816797E-01 Hb(Abramov) 0.1386898E-03 Ex_ueg -0.9645565E-02 Ec_ueg -0.1796919E-02 Delta_ex -0.1182407E-01 Delta_ec 0.4509240E-02 Delta_et -0.4438751E-01 Pxc 0.5367834E+01 Qxc -0.2622187E+01 3,-1 130 3 -1 1.697924 0.484327 -1.693151 Rho 0.3960273E-01 |GRAD(Rho)| 0.2132429E-16 GRAD(Rho)x -0.1690784E-16 GRAD(Rho)y 0.8547515E-17 GRAD(Rho)z -0.9787254E-17 Laplacian 0.1577814E+00 (-1/4)Del**2(Rho)) -0.3944534E-01 Diamond 0.5740923E-01 Metallicity 0.2009552E+01 Ellipticity 0.1289935E-01 Gb(Abramov) 0.3950814E-01 Vb(Abramov) -0.3957094E-01 Hb(Abramov) -0.6279702E-04 Ex_ueg -0.9969770E-02 Ec_ueg -0.1848775E-02 Delta_ex -0.1220319E-01 Delta_ec 0.4619861E-02 Delta_et -0.4578035E-01 Pxc 0.5392635E+01 Qxc -0.2641463E+01 3,-1 131 3 +1 -0.981612 2.107280 1.358421 Rho 0.2647550E-01 |GRAD(Rho)| 0.1315205E-16 GRAD(Rho)x 0.8138911E-18 GRAD(Rho)y -0.6098138E-17 GRAD(Rho)z -0.1162441E-16 Laplacian 0.1042321E+00 (-1/4)Del**2(Rho)) -0.2605802E-01 Diamond 0.1321247E-01 Metallicity 0.1554839E+01 Ellipticity -0.2530762E+01 Gb(Abramov) 0.2412469E-01 Vb(Abramov) -0.2219135E-01 Hb(Abramov) 0.1933338E-02 Ex_ueg -0.5827880E-02 Ec_ueg -0.1163287E-02 Delta_ex -0.6427974E-02 Delta_ec 0.1492109E-02 Delta_et -0.1340889E-01 Pxc 0.5009841E+01 Qxc -0.4307979E+01 3,+1 132 3 -1 2.980591 0.829290 -1.973901 Rho 0.1447215E+00 |GRAD(Rho)| 0.4116040E-09 GRAD(Rho)x 0.1664424E-09 GRAD(Rho)y 0.2997988E-09 GRAD(Rho)z 0.2276740E-09 Laplacian 0.5775974E+00 (-1/4)Del**2(Rho)) -0.1443993E+00 Diamond 0.1125230E+01 Metallicity 0.4759298E+01 Ellipticity 0.3041588E-01 Gb(Abramov) 0.2108061E+00 Vb(Abramov) -0.2772129E+00 Hb(Abramov) -0.6640679E-01 Ex_ueg -0.5611715E-01 Ec_ueg -0.8106472E-02 Delta_ex -0.6152804E-01 Delta_ec 0.1486042E-01 Delta_et -0.1969810E+00 Pxc 0.6922512E+01 Qxc -0.4140397E+01 3,-1 133 3 -1 2.976079 1.972788 -0.840850 Rho 0.1429890E+00 |GRAD(Rho)| 0.3645529E-13 GRAD(Rho)x 0.1491700E-14 GRAD(Rho)y 0.9491797E-14 GRAD(Rho)z -0.3516630E-13 Laplacian 0.5695008E+00 (-1/4)Del**2(Rho)) -0.1423752E+00 Diamond 0.1094638E+01 Metallicity 0.4731037E+01 Ellipticity 0.2710947E-01 Gb(Abramov) 0.2071805E+00 Vb(Abramov) -0.2719859E+00 Hb(Abramov) -0.6480533E-01 Ex_ueg -0.5522322E-01 Ec_ueg -0.7996228E-02 Delta_ex -0.6049926E-01 Delta_ec 0.1471653E-01 Delta_et -0.1947730E+00 Pxc 0.6906159E+01 Qxc -0.4110973E+01 3,-1 134 3 +1 -1.100317 -1.259170 -2.132452 Rho 0.2523988E-01 |GRAD(Rho)| 0.1793636E-14 GRAD(Rho)x 0.4099570E-15 GRAD(Rho)y -0.1212477E-14 GRAD(Rho)z -0.1256568E-14 Laplacian 0.1001086E+00 (-1/4)Del**2(Rho)) -0.2502715E-01 Diamond 0.1386943E-01 Metallicity 0.1494929E+01 Ellipticity -0.4636755E+01 Gb(Abramov) 0.2292040E-01 Vb(Abramov) -0.2081365E-01 Hb(Abramov) 0.2106750E-02 Ex_ueg -0.5468078E-02 Ec_ueg -0.1100799E-02 Delta_ex -0.6306786E-02 Delta_ec 0.1814225E-02 Delta_et -0.1602593E-01 Pxc 0.4967371E+01 Qxc -0.3476297E+01 3,+1 135 3 +3 -1.833226 -1.835257 -1.856526 Rho 0.1245685E-01 |GRAD(Rho)| 0.1154142E-15 GRAD(Rho)x 0.5961178E-16 GRAD(Rho)y 0.7855459E-16 GRAD(Rho)z 0.5996706E-16 Laplacian 0.5720695E-01 (-1/4)Del**2(Rho)) -0.1430174E-01 Diamond 0.1318253E-02 Metallicity 0.8063271E+00 Ellipticity -0.7137874E+00 Gb(Abramov) 0.1145647E-01 Vb(Abramov) -0.8611206E-02 Hb(Abramov) 0.2845266E-02 Ex_ueg -0.2132698E-02 Ec_ueg -0.4806996E-03 Delta_ex -0.2538925E-02 Delta_ec 0.2052427E-03 Delta_et -0.1957587E-02 Pxc 0.4436654E+01 Qxc -0.1237036E+02 3,+3 136 3 -1 -1.958933 -0.858336 -3.006405 Rho 0.1569503E+00 |GRAD(Rho)| 0.6328742E-12 GRAD(Rho)x 0.3458481E-12 GRAD(Rho)y -0.4588760E-12 GRAD(Rho)z -0.2652388E-12 Laplacian 0.6214193E+00 (-1/4)Del**2(Rho)) -0.1553548E+00 Diamond 0.1334555E+01 Metallicity 0.5064060E+01 Ellipticity 0.4082353E-01 Gb(Abramov) 0.2346909E+00 Vb(Abramov) -0.3140269E+00 Hb(Abramov) -0.7933607E-01 Ex_ueg -0.6252706E-01 Ec_ueg -0.8889909E-02 Delta_ex -0.6752944E-01 Delta_ec 0.1567038E-01 Delta_et -0.2100844E+00 Pxc 0.7033487E+01 Qxc -0.4309369E+01 3,-1 137 3 -1 -2.787500 -0.571676 1.811717 Rho 0.1448659E+00 |GRAD(Rho)| 0.3431604E-15 GRAD(Rho)x 0.5500971E-16 GRAD(Rho)y 0.6337162E-16 GRAD(Rho)z 0.3327416E-15 Laplacian 0.6115740E+00 (-1/4)Del**2(Rho)) -0.1528935E+00 Diamond 0.1190117E+01 Metallicity 0.4502368E+01 Ellipticity 0.8677928E-02 Gb(Abramov) 0.2166595E+00 Vb(Abramov) -0.2804254E+00 Hb(Abramov) -0.6376596E-01 Ex_ueg -0.5619183E-01 Ec_ueg -0.8115670E-02 Delta_ex -0.6513475E-01 Delta_ec 0.1567982E-01 Delta_et -0.2077618E+00 Pxc 0.6923868E+01 Qxc -0.4154050E+01 3,-1 138 3 +1 -1.982615 -1.979583 -2.002394 Rho 0.1267617E-01 |GRAD(Rho)| 0.1123003E-16 GRAD(Rho)x -0.9141353E-17 GRAD(Rho)y -0.5208061E-17 GRAD(Rho)z 0.3927505E-17 Laplacian 0.5992145E-01 (-1/4)Del**2(Rho)) -0.1498036E-01 Diamond 0.2116420E-02 Metallicity 0.7925208E+00 Ellipticity -0.1153017E+01 Gb(Abramov) 0.1196562E-01 Vb(Abramov) -0.8950871E-02 Hb(Abramov) 0.3014746E-02 Ex_ueg -0.2182909E-02 Ec_ueg -0.4908725E-03 Delta_ex -0.2861561E-02 Delta_ec 0.5513306E-03 Delta_et -0.4358485E-02 Pxc 0.4446998E+01 Qxc -0.5190281E+01 3,+1 139 3 -1 -3.209966 -0.050681 3.200707 Rho 0.2576325E+00 |GRAD(Rho)| 0.8915416E-15 GRAD(Rho)x -0.7620857E-15 GRAD(Rho)y -0.2224241E-15 GRAD(Rho)z 0.4057085E-15 Laplacian 0.9183187E+00 (-1/4)Del**2(Rho)) -0.2295797E+00 Diamond 0.3539164E+01 Metallicity 0.7827457E+01 Ellipticity 0.1163243E-02 Gb(Abramov) 0.4525573E+00 Vb(Abramov) -0.6755349E+00 Hb(Abramov) -0.2229776E+00 Ex_ueg -0.1210744E+00 Ec_ueg -0.1566650E-01 Delta_ex -0.1130429E+00 Delta_ec 0.1987370E-01 Delta_et -0.2758390E+00 Pxc 0.7728237E+01 Qxc -0.5688064E+01 3,-1 140 3 +3 0.043370 2.347733 -0.022464 Rho 0.4643260E-02 |GRAD(Rho)| 0.1136050E-13 GRAD(Rho)x -0.6152464E-14 GRAD(Rho)y -0.8534397E-14 GRAD(Rho)z 0.4286273E-14 Laplacian 0.1953069E-01 (-1/4)Del**2(Rho)) -0.4882672E-02 Diamond 0.1843338E-03 Metallicity 0.4559675E+00 Ellipticity -0.3272846E+00 Gb(Abramov) 0.3626172E-02 Vb(Abramov) -0.2369671E-02 Hb(Abramov) 0.1256501E-02 Ex_ueg -0.5721137E-03 Ec_ueg -0.1315933E-03 Delta_ex -0.7236873E-03 Delta_ec 0.1978135E-03 Delta_et -0.1220591E-02 Pxc 0.4347591E+01 Qxc -0.3658432E+01 3,+3 141 3 -1 -0.828272 1.978661 2.967603 Rho 0.1454858E+00 |GRAD(Rho)| 0.3854261E-15 GRAD(Rho)x 0.1029992E-15 GRAD(Rho)y 0.3424046E-15 GRAD(Rho)z -0.1438872E-15 Laplacian 0.5826541E+00 (-1/4)Del**2(Rho)) -0.1456635E+00 Diamond 0.1140676E+01 Metallicity 0.4759594E+01 Ellipticity 0.2968757E-01 Gb(Abramov) 0.2126589E+00 Vb(Abramov) -0.2796543E+00 Hb(Abramov) -0.6699537E-01 Ex_ueg -0.5651266E-01 Ec_ueg -0.8155168E-02 Delta_ex -0.6212998E-01 Delta_ec 0.1494133E-01 Delta_et -0.1981404E+00 Pxc 0.6929675E+01 Qxc -0.4158263E+01 3,-1 142 3 -1 0.587887 -2.793584 -1.808609 Rho 0.1475096E+00 |GRAD(Rho)| 0.5005781E-15 GRAD(Rho)x -0.4181497E-15 GRAD(Rho)y 0.5590417E-16 GRAD(Rho)z -0.2694513E-15 Laplacian 0.6237256E+00 (-1/4)Del**2(Rho)) -0.1559314E+00 Diamond 0.1242002E+01 Metallicity 0.4549739E+01 Ellipticity 0.9079918E-02 Gb(Abramov) 0.2221955E+00 Vb(Abramov) -0.2884596E+00 Hb(Abramov) -0.6626408E-01 Ex_ueg -0.5756325E-01 Ec_ueg -0.8284281E-02 Delta_ex -0.6673991E-01 Delta_ec 0.1594909E-01 Delta_et -0.2119454E+00 Pxc 0.6948490E+01 Qxc -0.4184558E+01 3,-1 143 3 -1 0.075970 -3.212421 -3.194172 Rho 0.2572626E+00 |GRAD(Rho)| 0.4618896E-15 GRAD(Rho)x -0.4358493E-16 GRAD(Rho)y 0.3069376E-15 GRAD(Rho)z 0.3423910E-15 Laplacian 0.9207152E+00 (-1/4)Del**2(Rho)) -0.2301788E+00 Diamond 0.3536516E+01 Metallicity 0.7788411E+01 Ellipticity 0.1856806E-02 Gb(Abramov) 0.4522404E+00 Vb(Abramov) -0.6743020E+00 Hb(Abramov) -0.2220616E+00 Ex_ueg -0.1208427E+00 Ec_ueg -0.1564058E-01 Delta_ex -0.1132672E+00 Delta_ec 0.1988455E-01 Delta_et -0.2757438E+00 Pxc 0.7726231E+01 Qxc -0.5696239E+01 3,-1 144 3 -1 -0.068210 -3.191894 3.196618 Rho 0.2571003E+00 |GRAD(Rho)| 0.3702661E-12 GRAD(Rho)x 0.6443584E-13 GRAD(Rho)y 0.2583404E-12 GRAD(Rho)z -0.2573037E-12 Laplacian 0.9202147E+00 (-1/4)Del**2(Rho)) -0.2300537E+00 Diamond 0.3531923E+01 Metallicity 0.7784459E+01 Ellipticity 0.1118502E-02 Gb(Abramov) 0.4518430E+00 Vb(Abramov) -0.6736323E+00 Hb(Abramov) -0.2217893E+00 Ex_ueg -0.1207411E+00 Ec_ueg -0.1562921E-01 Delta_ex -0.1131869E+00 Delta_ec 0.1987772E-01 Delta_et -0.2756472E+00 Pxc 0.7725350E+01 Qxc -0.5694157E+01 3,-1 145 3 -1 -0.585087 -2.771190 1.807451 Rho 0.1431032E+00 |GRAD(Rho)| 0.1455893E-15 GRAD(Rho)x -0.9268573E-16 GRAD(Rho)y -0.7838782E-16 GRAD(Rho)z 0.8038004E-16 Laplacian 0.6053739E+00 (-1/4)Del**2(Rho)) -0.1513435E+00 Diamond 0.1162355E+01 Metallicity 0.4456615E+01 Ellipticity 0.8095059E-02 Gb(Abramov) 0.2133089E+00 Vb(Abramov) -0.2752743E+00 Hb(Abramov) -0.6196543E-01 Ex_ueg -0.5528206E-01 Ec_ueg -0.8003492E-02 Delta_ex -0.6429773E-01 Delta_ec 0.1559596E-01 Delta_et -0.2063415E+00 Pxc 0.6907242E+01 Qxc -0.4122717E+01 3,-1 146 3 -1 -0.587528 -1.802856 2.785261 Rho 0.1402418E+00 |GRAD(Rho)| 0.2512913E-15 GRAD(Rho)x 0.1845854E-16 GRAD(Rho)y -0.2502745E-15 GRAD(Rho)z 0.1301043E-16 Laplacian 0.5933436E+00 (-1/4)Del**2(Rho)) -0.1483359E+00 Diamond 0.1113916E+01 Metallicity 0.4396458E+01 Ellipticity 0.7835396E-02 Gb(Abramov) 0.2075827E+00 Vb(Abramov) -0.2668295E+00 Hb(Abramov) -0.5924679E-01 Ex_ueg -0.5381317E-01 Ec_ueg -0.7821808E-02 Delta_ex -0.6273191E-01 Delta_ec 0.1539983E-01 Delta_et -0.2032117E+00 Pxc 0.6879888E+01 Qxc -0.4073546E+01 3,-1 147 3 -1 1.814845 -2.793077 -0.574196 Rho 0.1411951E+00 |GRAD(Rho)| 0.3379651E-12 GRAD(Rho)x -0.2425265E-12 GRAD(Rho)y -0.7683673E-13 GRAD(Rho)z -0.2224802E-12 Laplacian 0.5980719E+00 (-1/4)Del**2(Rho)) -0.1495180E+00 Diamond 0.1131509E+01 Metallicity 0.4411223E+01 Ellipticity 0.9359679E-02 Gb(Abramov) 0.2096048E+00 Vb(Abramov) -0.2696917E+00 Hb(Abramov) -0.6008687E-01 Ex_ueg -0.5430142E-01 Ec_ueg -0.7882277E-02 Delta_ex -0.6333122E-01 Delta_ec 0.1548817E-01 Delta_et -0.2045684E+00 Pxc 0.6889052E+01 Qxc -0.4089007E+01 3,-1 148 3 -1 1.973183 -2.975216 0.842652 Rho 0.1458244E+00 |GRAD(Rho)| 0.3783053E-12 GRAD(Rho)x -0.2129832E-12 GRAD(Rho)y -0.1533304E-12 GRAD(Rho)z 0.2724754E-12 Laplacian 0.5839277E+00 (-1/4)Del**2(Rho)) -0.1459819E+00 Diamond 0.1148418E+01 Metallicity 0.4767652E+01 Ellipticity 0.2810015E-01 Gb(Abramov) 0.2133198E+00 Vb(Abramov) -0.2806576E+00 Hb(Abramov) -0.6733786E-01 Ex_ueg -0.5668812E-01 Ec_ueg -0.8176755E-02 Delta_ex -0.6232244E-01 Delta_ec 0.1500331E-01 Delta_et -0.1991130E+00 Pxc 0.6932839E+01 Qxc -0.4153912E+01 3,-1 149 3 -1 2.782972 0.576218 1.810830 Rho 0.1440877E+00 |GRAD(Rho)| 0.3562422E-15 GRAD(Rho)x -0.1687967E-16 GRAD(Rho)y -0.1020776E-15 GRAD(Rho)z -0.3408867E-15 Laplacian 0.6097437E+00 (-1/4)Del**2(Rho)) -0.1524359E+00 Diamond 0.1179914E+01 Metallicity 0.4475528E+01 Ellipticity 0.8285004E-02 Gb(Abramov) 0.2153291E+00 Vb(Abramov) -0.2782224E+00 Hb(Abramov) -0.6289322E-01 Ex_ueg -0.5578975E-01 Ec_ueg -0.8066125E-02 Delta_ex -0.6486498E-01 Delta_ec 0.1567255E-01 Delta_et -0.2075435E+00 Pxc 0.6916550E+01 Qxc -0.4138764E+01 3,-1 150 3 -1 1.992130 0.829345 -2.977857 Rho 0.1365411E+00 |GRAD(Rho)| 0.5607642E-12 GRAD(Rho)x 0.3289246E-12 GRAD(Rho)y -0.4158463E-12 GRAD(Rho)z 0.1825842E-12 Laplacian 0.5452652E+00 (-1/4)Del**2(Rho)) -0.1363163E+00 Diamond 0.9921513E+00 Metallicity 0.4575564E+01 Ellipticity 0.2256148E-01 Gb(Abramov) 0.1948315E+00 Vb(Abramov) -0.2533468E+00 Hb(Abramov) -0.5851522E-01 Ex_ueg -0.5192818E-01 Ec_ueg -0.7587602E-02 Delta_ex -0.5728530E-01 Delta_ec 0.1426125E-01 Delta_et -0.1874490E+00 Pxc 0.6843820E+01 Qxc -0.4016850E+01 3,-1 151 3 -1 -1.690261 -1.677596 -0.502079 Rho 0.3894810E-01 |GRAD(Rho)| 0.8087419E-14 GRAD(Rho)x 0.5477950E-14 GRAD(Rho)y -0.3453112E-15 GRAD(Rho)z -0.5939628E-14 Laplacian 0.1549924E+00 (-1/4)Del**2(Rho)) -0.3874810E-01 Diamond 0.5499033E-01 Metallicity 0.1989665E+01 Ellipticity 0.1114165E-01 Gb(Abramov) 0.3868136E-01 Vb(Abramov) -0.3861461E-01 Hb(Abramov) 0.6674547E-04 Ex_ueg -0.9750648E-02 Ec_ueg -0.1813755E-02 Delta_ex -0.1192955E-01 Delta_ec 0.4523653E-02 Delta_et -0.4462496E-01 Pxc 0.5375945E+01 Qxc -0.2637149E+01 3,-1 152 3 +1 -2.106176 -1.229603 -1.132731 Rho 0.2594858E-01 |GRAD(Rho)| 0.1612668E-12 GRAD(Rho)x -0.1609260E-12 GRAD(Rho)y 0.7355682E-14 GRAD(Rho)z -0.7463165E-14 Laplacian 0.1049319E+00 (-1/4)Del**2(Rho)) -0.2623298E-01 Diamond 0.1565858E-01 Metallicity 0.1493579E+01 Ellipticity -0.6243257E+01 Gb(Abramov) 0.2401883E-01 Vb(Abramov) -0.2180467E-01 Hb(Abramov) 0.2214154E-02 Ex_ueg -0.5673747E-02 Ec_ueg -0.1136592E-02 Delta_ex -0.6716830E-02 Delta_ec 0.2004353E-02 Delta_et -0.1780832E-01 Pxc 0.4991896E+01 Qxc -0.3351122E+01 3,+1 153 3 -1 -2.971525 -1.957454 -0.844690 Rho 0.1421667E+00 |GRAD(Rho)| 0.7763106E-14 GRAD(Rho)x 0.2615333E-14 GRAD(Rho)y -0.4467929E-14 GRAD(Rho)z 0.5784761E-14 Laplacian 0.5669784E+00 (-1/4)Del**2(Rho)) -0.1417446E+00 Diamond 0.1083005E+01 Metallicity 0.4706630E+01 Ellipticity 0.2618892E-01 Gb(Abramov) 0.2056863E+00 Vb(Abramov) -0.2696280E+00 Hb(Abramov) -0.6394169E-01 Ex_ueg -0.5480023E-01 Ec_ueg -0.7943974E-02 Delta_ex -0.6015457E-01 Delta_ec 0.1468609E-01 Delta_et -0.1942328E+00 Pxc 0.6898340E+01 Qxc -0.4096024E+01 3,-1 154 3 -1 -2.787027 -1.797562 0.574021 Rho 0.1421081E+00 |GRAD(Rho)| 0.3597630E-15 GRAD(Rho)x 0.9483381E-16 GRAD(Rho)y -0.3440580E-15 GRAD(Rho)z -0.4538741E-16 Laplacian 0.6006618E+00 (-1/4)Del**2(Rho)) -0.1501655E+00 Diamond 0.1144019E+01 Metallicity 0.4439640E+01 Ellipticity 0.8867329E-02 Gb(Abramov) 0.2112237E+00 Vb(Abramov) -0.2722820E+00 Hb(Abramov) -0.6105827E-01 Ex_ueg -0.5477009E-01 Ec_ueg -0.7940247E-02 Delta_ex -0.6369235E-01 Delta_ec 0.1550744E-01 Delta_et -0.2049716E+00 Pxc 0.6897781E+01 Qxc -0.4107212E+01 3,-1 155 3 -1 -0.834992 -2.970478 -1.979677 Rho 0.1449828E+00 |GRAD(Rho)| 0.1746597E-15 GRAD(Rho)x -0.5923810E-16 GRAD(Rho)y -0.1637281E-15 GRAD(Rho)z -0.1378292E-16 Laplacian 0.5788348E+00 (-1/4)Del**2(Rho)) -0.1447087E+00 Diamond 0.1129869E+01 Metallicity 0.4763425E+01 Ellipticity 0.2994754E-01 Gb(Abramov) 0.2113573E+00 Vb(Abramov) -0.2780059E+00 Hb(Abramov) -0.6664860E-01 Ex_ueg -0.5625231E-01 Ec_ueg -0.8123118E-02 Delta_ex -0.6168478E-01 Delta_ec 0.1488161E-01 Delta_et -0.1973051E+00 Pxc 0.6924965E+01 Qxc -0.4145035E+01 3,-1 156 3 +1 -1.194605 -2.100546 -1.179304 Rho 0.2562804E-01 |GRAD(Rho)| 0.1589077E-16 GRAD(Rho)x -0.6411190E-17 GRAD(Rho)y 0.6720629E-17 GRAD(Rho)z -0.1289366E-16 Laplacian 0.1043618E+00 (-1/4)Del**2(Rho)) -0.2609044E-01 Diamond 0.1577708E-01 Metallicity 0.1470948E+01 Ellipticity -0.8450539E+01 Gb(Abramov) 0.2378991E-01 Vb(Abramov) -0.2148938E-01 Hb(Abramov) 0.2300533E-02 Ex_ueg -0.5580489E-02 Ec_ueg -0.1120387E-02 Delta_ex -0.6707654E-02 Delta_ec 0.2081112E-02 Delta_et -0.1841554E-01 Pxc 0.4980859E+01 Qxc -0.3223110E+01 3,+1 157 3 -1 -0.829549 -1.986857 -2.984796 Rho 0.1334054E+00 |GRAD(Rho)| 0.2173708E-12 GRAD(Rho)x 0.1572952E-12 GRAD(Rho)y -0.1306404E-12 GRAD(Rho)z 0.7376578E-13 Laplacian 0.5337157E+00 (-1/4)Del**2(Rho)) -0.1334289E+00 Diamond 0.9445720E+00 Metallicity 0.4497028E+01 Ellipticity 0.2020776E-01 Gb(Abramov) 0.1889582E+00 Vb(Abramov) -0.2444875E+00 Hb(Abramov) -0.5552928E-01 Ex_ueg -0.5034422E-01 Ec_ueg -0.7389841E-02 Delta_ex -0.5575956E-01 Delta_ec 0.1404087E-01 Delta_et -0.1838824E+00 Pxc 0.6812626E+01 Qxc -0.3971233E+01 3,-1 158 3 -1 -0.553093 1.807083 -2.787241 Rho 0.1419220E+00 |GRAD(Rho)| 0.1105605E-13 GRAD(Rho)x 0.6984146E-14 GRAD(Rho)y 0.8445040E-14 GRAD(Rho)z 0.1462636E-14 Laplacian 0.6009847E+00 (-1/4)Del**2(Rho)) -0.1502462E+00 Diamond 0.1144443E+01 Metallicity 0.4427573E+01 Ellipticity 0.1040387E-01 Gb(Abramov) 0.2110351E+00 Vb(Abramov) -0.2718241E+00 Hb(Abramov) -0.6078894E-01 Ex_ueg -0.5467447E-01 Ec_ueg -0.7928426E-02 Delta_ex -0.6372350E-01 Delta_ec 0.1555157E-01 Delta_et -0.2055800E+00 Pxc 0.6896005E+01 Qxc -0.4097560E+01 3,-1 159 3 -1 2.782346 1.810753 0.577513 Rho 0.1429296E+00 |GRAD(Rho)| 0.3083381E-12 GRAD(Rho)x -0.4351095E-13 GRAD(Rho)y 0.2304823E-12 GRAD(Rho)z -0.2001427E-12 Laplacian 0.6046595E+00 (-1/4)Del**2(Rho)) -0.1511649E+00 Diamond 0.1159896E+01 Metallicity 0.4452864E+01 Ellipticity 0.9403265E-02 Gb(Abramov) 0.2129627E+00 Vb(Abramov) -0.2747605E+00 Hb(Abramov) -0.6179781E-01 Ex_ueg -0.5519267E-01 Ec_ueg -0.7992456E-02 Delta_ex -0.6420924E-01 Delta_ec 0.1559364E-01 Delta_et -0.2062982E+00 Pxc 0.6905596E+01 Qxc -0.4117657E+01 3,-1 160 3 -1 -2.933626 1.960221 0.826661 Rho 0.1523007E+00 |GRAD(Rho)| 0.1804643E-12 GRAD(Rho)x -0.2822666E-14 GRAD(Rho)y 0.5657263E-13 GRAD(Rho)z 0.1713445E-12 Laplacian 0.5997843E+00 (-1/4)Del**2(Rho)) -0.1499461E+00 Diamond 0.1235375E+01 Metallicity 0.4990236E+01 Ellipticity 0.2807741E-01 Gb(Abramov) 0.2246751E+00 Vb(Abramov) -0.2994041E+00 Hb(Abramov) -0.7472902E-01 Ex_ueg -0.6006952E-01 Ec_ueg -0.8590952E-02 Delta_ex -0.6462835E-01 Delta_ec 0.1511655E-01 Delta_et -0.2015504E+00 Pxc 0.6992184E+01 Qxc -0.4275337E+01 3,-1 161 3 -1 -3.181148 3.188995 -0.097794 Rho 0.1785905E+00 |GRAD(Rho)| 0.4958528E-15 GRAD(Rho)x 0.3799858E-15 GRAD(Rho)y -0.2545978E-15 GRAD(Rho)z 0.1914701E-15 Laplacian 0.6881747E+00 (-1/4)Del**2(Rho)) -0.1720437E+00 Diamond 0.1748704E+01 Metallicity 0.5671243E+01 Ellipticity 0.1155903E+00 Gb(Abramov) 0.2773127E+00 Vb(Abramov) -0.3825818E+00 Hb(Abramov) -0.1052690E+00 Ex_ueg -0.7427844E-01 Ec_ueg -0.1029820E-01 Delta_ex -0.7740908E-01 Delta_ec 0.1710965E-01 Delta_et -0.2339256E+00 Pxc 0.7212761E+01 Qxc -0.4524293E+01 3,-1 162 3 -1 -2.731851 1.790158 -0.567425 Rho 0.1669004E+00 |GRAD(Rho)| 0.9381423E-16 GRAD(Rho)x 0.4523834E-16 GRAD(Rho)y -0.3361027E-16 GRAD(Rho)z -0.7499969E-16 Laplacian 0.7086211E+00 (-1/4)Del**2(Rho)) -0.1771553E+00 Diamond 0.1618214E+01 Metallicity 0.4919960E+01 Ellipticity 0.1617224E-01 Gb(Abramov) 0.2633697E+00 Vb(Abramov) -0.3495841E+00 Hb(Abramov) -0.8621439E-01 Ex_ueg -0.6786748E-01 Ec_ueg -0.9534023E-02 Delta_ex -0.7801405E-01 Delta_ec 0.1728126E-01 Delta_et -0.2326628E+00 Pxc 0.7118451E+01 Qxc -0.4514373E+01 3,-1 163 3 -1 0.351826 -0.346171 0.353010 Rho 0.2054018E+00 |GRAD(Rho)| 0.3088438E-15 GRAD(Rho)x -0.2254410E-15 GRAD(Rho)y 0.1613792E-15 GRAD(Rho)z -0.1360792E-15 Laplacian 0.7544602E+00 (-1/4)Del**2(Rho)) -0.1886150E+00 Diamond 0.2474535E+01 Metallicity 0.6531063E+01 Ellipticity 0.3102206E-02 Gb(Abramov) 0.3310528E+00 Vb(Abramov) -0.4734906E+00 Hb(Abramov) -0.1424378E+00 Ex_ueg -0.8950707E-01 Ec_ueg -0.1208032E-01 Delta_ex -0.8926991E-01 Delta_ec 0.2048952E-01 Delta_et -0.2924925E+00 Pxc 0.7409330E+01 Qxc -0.4356857E+01 3,-1 164 3 -1 3.205195 3.197226 0.059154 Rho 0.2570197E+00 |GRAD(Rho)| 0.7619198E-13 GRAD(Rho)x -0.4757273E-13 GRAD(Rho)y -0.5594321E-13 GRAD(Rho)z -0.2030789E-13 Laplacian 0.9200895E+00 (-1/4)Del**2(Rho)) -0.2300224E+00 Diamond 0.3529930E+01 Metallicity 0.7781450E+01 Ellipticity 0.9465071E-03 Gb(Abramov) 0.4516662E+00 Vb(Abramov) -0.6733100E+00 Hb(Abramov) -0.2216438E+00 Ex_ueg -0.1206907E+00 Ec_ueg -0.1562357E-01 Delta_ex -0.1131612E+00 Delta_ec 0.1987538E-01 Delta_et -0.2756060E+00 Pxc 0.7724912E+01 Qxc -0.5693539E+01 3,-1 165 3 -1 -3.205480 -3.184783 0.051626 Rho 0.2570326E+00 |GRAD(Rho)| 0.1537815E-15 GRAD(Rho)x 0.1435484E-15 GRAD(Rho)y -0.4000706E-16 GRAD(Rho)z 0.3797418E-16 Laplacian 0.9194701E+00 (-1/4)Del**2(Rho)) -0.2298675E+00 Diamond 0.3528430E+01 Metallicity 0.7787344E+01 Ellipticity 0.9817330E-03 Gb(Abramov) 0.4515879E+00 Vb(Abramov) -0.6733083E+00 Hb(Abramov) -0.2217204E+00 Ex_ueg -0.1206987E+00 Ec_ueg -0.1562447E-01 Delta_ex -0.1130898E+00 Delta_ec 0.1986744E-01 Delta_et -0.2755239E+00 Pxc 0.7724982E+01 Qxc -0.5692217E+01 3,-1 166 3 -1 -0.542744 2.766414 -1.812354 Rho 0.1299143E+00 |GRAD(Rho)| 0.1038772E-13 GRAD(Rho)x 0.6554124E-14 GRAD(Rho)y -0.1733395E-14 GRAD(Rho)z -0.7870427E-14 Laplacian 0.5437522E+00 (-1/4)Del**2(Rho)) -0.1359380E+00 Diamond 0.9365863E+00 Metallicity 0.4223189E+01 Ellipticity 0.1222336E-01 Gb(Abramov) 0.1863074E+00 Vb(Abramov) -0.2366767E+00 Hb(Abramov) -0.5036933E-01 Ex_ueg -0.4859532E-01 Ec_ueg -0.7170425E-02 Delta_ex -0.5649951E-01 Delta_ec 0.1449122E-01 Delta_et -0.1891431E+00 Pxc 0.6777187E+01 Qxc -0.3898880E+01 3,-1 167 3 -1 -0.828028 2.962963 1.969294 Rho 0.1295246E+00 |GRAD(Rho)| 0.1013852E-15 GRAD(Rho)x 0.2162983E-16 GRAD(Rho)y 0.6543160E-16 GRAD(Rho)z -0.7436272E-16 Laplacian 0.5197834E+00 (-1/4)Del**2(Rho)) -0.1299459E+00 Diamond 0.8904917E+00 Metallicity 0.4395866E+01 Ellipticity 0.3555508E-01 Gb(Abramov) 0.1818346E+00 Vb(Abramov) -0.2337234E+00 Hb(Abramov) -0.5188880E-01 Ex_ueg -0.4840103E-01 Ec_ueg -0.7145980E-02 Delta_ex -0.5395084E-01 Delta_ec 0.1382807E-01 Delta_et -0.1803352E+00 Pxc 0.6773184E+01 Qxc -0.3901545E+01 3,-1 168 3 -1 0.510344 1.684580 -1.705723 Rho 0.4107655E-01 |GRAD(Rho)| 0.1703752E-15 GRAD(Rho)x -0.3735669E-16 GRAD(Rho)y 0.5834871E-16 GRAD(Rho)z -0.1556523E-15 Laplacian 0.1648343E+00 (-1/4)Del**2(Rho)) -0.4120859E-01 Diamond 0.6319953E-01 Metallicity 0.2044351E+01 Ellipticity 0.1069392E-01 Gb(Abramov) 0.4151319E-01 Vb(Abramov) -0.4181780E-01 Hb(Abramov) -0.3046056E-03 Ex_ueg -0.1046752E-01 Ec_ueg -0.1927907E-02 Delta_ex -0.1287456E-01 Delta_ec 0.4842026E-02 Delta_et -0.4845643E-01 Pxc 0.5429473E+01 Qxc -0.2658920E+01 3,-1 169 3 -1 0.868337 1.968625 -2.993421 Rho 0.1527920E+00 |GRAD(Rho)| 0.6000973E-15 GRAD(Rho)x 0.4354698E-15 GRAD(Rho)y -0.3739549E-15 GRAD(Rho)z -0.1750444E-15 Laplacian 0.6069524E+00 (-1/4)Del**2(Rho)) -0.1517381E+00 Diamond 0.1262293E+01 Metallicity 0.4957846E+01 Ellipticity 0.3716159E-01 Gb(Abramov) 0.2265411E+00 Vb(Abramov) -0.3013441E+00 Hb(Abramov) -0.7480299E-01 Ex_ueg -0.6032806E-01 Ec_ueg -0.8622483E-02 Delta_ex -0.6552371E-01 Delta_ec 0.1541172E-01 Delta_et -0.2058768E+00 Pxc 0.6996599E+01 Qxc -0.4251552E+01 3,-1 170 3 -1 0.864546 2.968626 -1.989552 Rho 0.1462490E+00 |GRAD(Rho)| 0.1320466E-11 GRAD(Rho)x 0.9371561E-12 GRAD(Rho)y 0.5517041E-12 GRAD(Rho)z 0.7489935E-12 Laplacian 0.5835456E+00 (-1/4)Del**2(Rho)) -0.1458864E+00 Diamond 0.1151435E+01 Metallicity 0.4793949E+01 Ellipticity 0.3076653E-01 Gb(Abramov) 0.2138196E+00 Vb(Abramov) -0.2817528E+00 Hb(Abramov) -0.6793319E-01 Ex_ueg -0.5690832E-01 Ec_ueg -0.8203832E-02 Delta_ex -0.6232345E-01 Delta_ec 0.1497825E-01 Delta_et -0.1988542E+00 Pxc 0.6936797E+01 Qxc -0.4160929E+01 3,-1 171 3 -1 1.818767 0.582205 2.789800 Rho 0.1372688E+00 |GRAD(Rho)| 0.1454625E-15 GRAD(Rho)x -0.3672735E-17 GRAD(Rho)y 0.7631428E-16 GRAD(Rho)z 0.1237820E-15 Laplacian 0.5811582E+00 (-1/4)Del**2(Rho)) -0.1452895E+00 Diamond 0.1064724E+01 Metallicity 0.4331170E+01 Ellipticity 0.8106817E-02 Gb(Abramov) 0.2017386E+00 Vb(Abramov) -0.2581877E+00 Hb(Abramov) -0.5644909E-01 Ex_ueg -0.5229749E-01 Ec_ueg -0.7633584E-02 Delta_ex -0.6114040E-01 Delta_ec 0.1519033E-01 Delta_et -0.1998460E+00 Pxc 0.6850975E+01 Qxc -0.4024955E+01 3,-1 172 3 -1 -1.980598 -2.958789 -0.846304 Rho 0.1426629E+00 |GRAD(Rho)| 0.3998349E-15 GRAD(Rho)x 0.2779623E-16 GRAD(Rho)y -0.1290201E-15 GRAD(Rho)z -0.3774243E-15 Laplacian 0.5692074E+00 (-1/4)Del**2(Rho)) -0.1423019E+00 Diamond 0.1091019E+01 Metallicity 0.4715498E+01 Ellipticity 0.2671982E-01 Gb(Abramov) 0.2067053E+00 Vb(Abramov) -0.2711087E+00 Hb(Abramov) -0.6440341E-01 Ex_ueg -0.5505537E-01 Ec_ueg -0.7975500E-02 Delta_ex -0.6043381E-01 Delta_ec 0.1471603E-01 Delta_et -0.1946979E+00 Pxc 0.6903063E+01 Qxc -0.4106664E+01 3,-1 173 3 -1 2.785295 -1.823411 -0.573171 Rho 0.1416965E+00 |GRAD(Rho)| 0.4026700E-13 GRAD(Rho)x -0.4426086E-14 GRAD(Rho)y -0.2905364E-13 GRAD(Rho)z 0.2752685E-13 Laplacian 0.5998428E+00 (-1/4)Del**2(Rho)) -0.1499607E+00 Diamond 0.1138953E+01 Metallicity 0.4424263E+01 Ellipticity 0.9028446E-02 Gb(Abramov) 0.2105514E+00 Vb(Abramov) -0.2711421E+00 Hb(Abramov) -0.6059070E-01 Ex_ueg -0.5455869E-01 Ec_ueg -0.7914108E-02 Delta_ex -0.6356557E-01 Delta_ec 0.1550624E-01 Delta_et -0.2048859E+00 Pxc 0.6893852E+01 Qxc -0.4099355E+01 3,-1 174 3 +3 1.853158 1.836126 -1.851188 Rho 0.1246668E-01 |GRAD(Rho)| 0.2133079E-13 GRAD(Rho)x -0.9465828E-14 GRAD(Rho)y 0.1865603E-13 GRAD(Rho)z 0.4165700E-14 Laplacian 0.5732547E-01 (-1/4)Del**2(Rho)) -0.1433137E-01 Diamond 0.1324167E-02 Metallicity 0.8057192E+00 Ellipticity -0.7208261E+00 Gb(Abramov) 0.1147876E-01 Vb(Abramov) -0.8626142E-02 Hb(Abramov) 0.2852613E-02 Ex_ueg -0.2134943E-02 Ec_ueg -0.4811554E-03 Delta_ex -0.2545251E-02 Delta_ec 0.2065103E-03 Delta_et -0.1967502E-02 Pxc 0.4437118E+01 Qxc -0.1232506E+02 3,+3 175 3 -1 -1.765309 2.751979 -0.572468 Rho 0.1580093E+00 |GRAD(Rho)| 0.1764867E-11 GRAD(Rho)x 0.1266403E-11 GRAD(Rho)y 0.4269555E-12 GRAD(Rho)z -0.1152687E-11 Laplacian 0.6629725E+00 (-1/4)Del**2(Rho)) -0.1657431E+00 Diamond 0.1418185E+01 Metallicity 0.4800159E+01 Ellipticity 0.1679283E-01 Gb(Abramov) 0.2430943E+00 Vb(Abramov) -0.3204455E+00 Hb(Abramov) -0.7735117E-01 Ex_ueg -0.6309022E-01 Ec_ueg -0.8958183E-02 Delta_ex -0.7200541E-01 Delta_ec 0.1640532E-01 Delta_et -0.2194285E+00 Pxc 0.7042748E+01 Qxc -0.4389151E+01 3,-1 176 3 -1 -1.947237 2.942137 0.821006 Rho 0.1601283E+00 |GRAD(Rho)| 0.4884532E-15 GRAD(Rho)x -0.4355918E-15 GRAD(Rho)y -0.1666690E-15 GRAD(Rho)z -0.1451476E-15 Laplacian 0.6365233E+00 (-1/4)Del**2(Rho)) -0.1591308E+00 Diamond 0.1387163E+01 Metallicity 0.5111859E+01 Ellipticity 0.2348754E-01 Gb(Abramov) 0.2416629E+00 Vb(Abramov) -0.3241951E+00 Hb(Abramov) -0.8253211E-01 Ex_ueg -0.6422080E-01 Ec_ueg -0.9094990E-02 Delta_ex -0.6939466E-01 Delta_ec 0.1575621E-01 Delta_et -0.2112496E+00 Pxc 0.7061119E+01 Qxc -0.4404273E+01 3,-1 177 3 -1 0.594052 1.813977 2.796479 Rho 0.1518445E+00 |GRAD(Rho)| 0.1237274E-12 GRAD(Rho)x -0.6384547E-13 GRAD(Rho)y 0.1030020E-12 GRAD(Rho)z -0.2495646E-13 Laplacian 0.6401864E+00 (-1/4)Del**2(Rho)) -0.1600466E+00 Diamond 0.1317990E+01 Metallicity 0.4651990E+01 Ellipticity 0.1040400E-01 Gb(Abramov) 0.2307869E+00 Vb(Abramov) -0.3015272E+00 Hb(Abramov) -0.7074031E-01 Ex_ueg -0.5982977E-01 Ec_ueg -0.8561696E-02 Delta_ex -0.6897139E-01 Delta_ec 0.1621936E-01 Delta_et -0.2163367E+00 Pxc 0.6988074E+01 Qxc -0.4252411E+01 3,-1 178 3 -1 3.213945 -0.078126 -3.191448 Rho 0.2571181E+00 |GRAD(Rho)| 0.2673379E-15 GRAD(Rho)x 0.1297790E-15 GRAD(Rho)y 0.7394259E-16 GRAD(Rho)z -0.2217193E-15 Laplacian 0.9208946E+00 (-1/4)Del**2(Rho)) -0.2302237E+00 Diamond 0.3534219E+01 Metallicity 0.7779609E+01 Ellipticity 0.1226330E-02 Gb(Abramov) 0.4519908E+00 Vb(Abramov) -0.6737579E+00 Hb(Abramov) -0.2217671E+00 Ex_ueg -0.1207523E+00 Ec_ueg -0.1563046E-01 Delta_ex -0.1132696E+00 Delta_ec 0.1988671E-01 Delta_et -0.2757466E+00 Pxc 0.7725446E+01 Qxc -0.5695744E+01 3,-1 179 3 -1 -1.816429 -2.768729 0.573263 Rho 0.1439762E+00 |GRAD(Rho)| 0.4252416E-12 GRAD(Rho)x -0.3161987E-12 GRAD(Rho)y 0.6376087E-13 GRAD(Rho)z -0.2770981E-12 Laplacian 0.6082331E+00 (-1/4)Del**2(Rho)) -0.1520583E+00 Diamond 0.1176583E+01 Metallicity 0.4480857E+01 Ellipticity 0.9706418E-02 Gb(Abramov) 0.2149308E+00 Vb(Abramov) -0.2778032E+00 Hb(Abramov) -0.6287247E-01 Ex_ueg -0.5573219E-01 Ec_ueg -0.8059028E-02 Delta_ex -0.6469927E-01 Delta_ec 0.1564958E-01 Delta_et -0.2072438E+00 Pxc 0.6915498E+01 Qxc -0.4134249E+01 3,-1 180 3 -1 -1.818862 -0.574628 2.789133 Rho 0.1479566E+00 |GRAD(Rho)| 0.2460586E-15 GRAD(Rho)x -0.1912262E-15 GRAD(Rho)y -0.1200618E-15 GRAD(Rho)z -0.9778826E-16 Laplacian 0.6246619E+00 (-1/4)Del**2(Rho)) -0.1561655E+00 Diamond 0.1247527E+01 Metallicity 0.4565890E+01 Ellipticity 0.9377587E-02 Gb(Abramov) 0.2229494E+00 Vb(Abramov) -0.2897333E+00 Hb(Abramov) -0.6678391E-01 Ex_ueg -0.5779597E-01 Ec_ueg -0.8312837E-02 Delta_ex -0.6688088E-01 Delta_ec 0.1594536E-01 Delta_et -0.2119517E+00 Pxc 0.6952617E+01 Qxc -0.4194378E+01 3,-1 181 3 -1 -4.256999 3.798231 -0.798009 Rho 0.3262040E+00 |GRAD(Rho)| 0.2844308E-13 GRAD(Rho)x -0.6810911E-15 GRAD(Rho)y 0.2020406E-13 GRAD(Rho)z 0.2000853E-13 Laplacian -0.1819711E+01 (-1/4)Del**2(Rho)) 0.4549277E+00 Diamond 0.6366202E+01 Metallicity -0.5853642E+01 Ellipticity 0.1749383E-02 Gb(Abramov) 0.1405455E+00 Vb(Abramov) -0.7360187E+00 Hb(Abramov) -0.5954732E+00 Ex_ueg -0.1658456E+00 Ec_ueg -0.2060230E-01 Delta_ex 0.1830835E+00 Delta_ec 0.6259436E-01 Delta_et -0.1500913E+01 Pxc 0.8049858E+01 Qxc 0.2924920E+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 77 126 146 145 127 80 144 108 124 142 157 155 143 168 158 166 169 170 77 122 177 64 141 167 79 113 173 147 93 148 91 87 159 90 133 89 164 59 162 175 160 176 161 151 154 179 153 172 165 96 98 121 94 136 97 105 137 180 100 61 139 129 149 171 117 115 119 130 92 128 132 150 178 163 72 123 107 181 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 2.473011 1.937366 1.929587 1.937504 1.937511 1.718155 2.472826 1.928294 1.917508 1.967470 1.935129 1.717932 2.451054 1.932838 1.969119 1.914557 1.931823 1.717888 2.499010 1.906491 1.925810 1.933278 1.978656 1.717035 2.513786 1.933295 1.934492 1.935220 1.932196 1.717517 2.470264 1.930107 1.934339 1.940742 1.940051 1.718281 2.353949 1.870586 1.892964 1.918201 1.897266 1.851554 2.474630 1.932387 1.927342 1.942876 1.941504 1.718277 2.445797 2.001600 1.922088 1.930856 1.904001 1.717528 2.504444 1.925137 1.916659 1.954540 1.941173 1.717414 2.476696 1.926890 1.945572 1.932721 1.936126 1.717945 2.467418 1.920769 1.933110 1.935814 1.958656 1.718132 1.550129 1.553555 1.552997 1.565504 0.982459 2.474024 1.937732 1.929961 1.938197 1.938193 1.718160 2.473780 1.928712 1.917867 1.968156 1.935790 1.717933 2.452104 1.933208 1.969518 1.915204 1.932468 1.717893 2.499951 1.906860 1.926175 1.933933 1.979048 1.717039 2.514697 1.933661 1.934859 1.935864 1.932839 1.717523 2.471256 1.930471 1.934712 1.941390 1.940703 1.718287 2.355002 1.871187 1.893472 1.918996 1.898111 1.853250 2.475614 1.932804 1.927711 1.943575 1.942156 1.718278 2.446881 2.001992 1.922537 1.931560 1.904582 1.717533 2.505362 1.925504 1.917027 1.955034 1.941856 1.717417 2.477707 1.927265 1.945935 1.933354 1.936777 1.717951 2.468391 1.921129 1.933527 1.936514 1.959331 1.718133 1.550132 1.553569 1.553009 1.565563 0.982765 29 23 23 26 26 21 29 25 23 23 23 21 29 23 23 26 23 21 29 23 23 23 26 21 29 23 23 23 23 21 29 23 23 23 23 23 27 22 23 23 23 23 29 26 23 26 23 21 27 25 25 25 23 23 29 23 23 26 26 20 29 23 23 23 23 25 29 23 26 27 23 20 18 21 23 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 W W W W W W W 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 2.5376 2.5345 2.5386 2.5352 2.5309 2.5366 2.6638 2.5370 2.5380 2.5389 2.5372 2.5355 -1.0406 -1.0513 -1.0508 -1.0560 -0.9455 -0.9458 -0.9225 -0.9465 -0.9458 -0.9441 -0.9483 -0.9457 -0.9266 -0.9464 -0.9453 -0.9451 -0.9405 -0.9393 -0.9414 -0.9288 -0.9411 -0.9378 -0.9434 -0.9357 -0.9423 -0.9234 -0.9408 -0.9392 -0.7166 -0.7157 -0.7137 -0.7119 -0.7156 -0.7171 -0.6697 -0.7171 -0.7110 -0.7145 -0.7159 -0.7164 2.4264 0.3049 2.0786 2.0792 2.0760 2.0776 2.0792 2.0790 2.0655 2.0790 2.0773 2.0746 2.0783 2.0794 1.8915 1.8911 1.8910 1.8929 1.9353 1.9353 1.9417 1.9353 1.9354 1.9358 1.9351 1.9356 1.9388 1.9354 1.9354 1.9354 1.9479 1.9483 1.9482 1.9495 1.9480 1.9489 1.9476 1.9493 1.9481 1.9515 1.9480 1.9484 1.9785 1.9787 1.9787 1.9798 1.9791 1.9784 1.8799 1.9784 1.9791 1.9793 1.9786 1.9785 2.4820 0.5967 6.0786 6.0797 6.0778 6.0799 6.0815 6.0789 6.0746 6.0787 6.0775 6.0782 6.0787 6.0793 5.1080 5.1186 5.1182 5.1214 4.9794 4.9797 4.9493 4.9806 4.9799 4.9771 4.9826 4.9792 4.9567 4.9804 4.9793 4.9788 4.9587 4.9575 4.9598 4.9454 4.9596 4.9551 4.9625 4.9522 4.9608 4.9381 4.9591 4.9571 4.6986 4.6974 4.6954 4.6923 4.6969 4.6992 4.7571 4.6992 4.6921 4.6954 4.6976 4.6983 7.2550 0.0984 3.2762 3.2777 3.2787 3.2785 3.2797 3.2767 3.1651 3.2764 3.2784 3.2794 3.2769 3.2770 0.0410 0.0415 0.0417 0.0417 0.0307 0.0308 0.0315 0.0306 0.0304 0.0311 0.0306 0.0309 0.0311 0.0307 0.0306 0.0310 0.0338 0.0335 0.0334 0.0339 0.0335 0.0339 0.0334 0.0342 0.0334 0.0338 0.0337 0.0337 0.0396 0.0396 0.0397 0.0398 0.0397 0.0395 0.0328 0.0395 0.0398 0.0397 0.0396 0.0396 0.8366 0.0000 14.0289 14.0288 14.0288 14.0288 14.0288 14.0289 14.0309 14.0289 14.0287 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 W W W W W W W 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 2.532070 2.529951 2.531417 2.529062 2.529884 2.530537 2.581547 2.530512 2.530169 2.529005 2.532065 2.530380 -1.032454 -1.034349 -1.034482 -1.028985 -0.929915 -0.929347 -0.903217 -0.930073 -0.930996 -0.926863 -0.930625 -0.928887 -0.916308 -0.929967 -0.930123 -0.928439 -0.901389 -0.901414 -0.902154 -0.893019 -0.901930 -0.898635 -0.904688 -0.896292 -0.902837 -0.882180 -0.901825 -0.900808 -0.735970 -0.734962 -0.731906 -0.729685 -0.734362 -0.736784 -0.491224 -0.736820 -0.728565 -0.732749 -0.735014 -0.735877 2.007711 0.171809 1.955763 1.955515 1.957800 1.957391 1.955126 1.954389 1.840424 1.954119 1.957646 1.954811 1.956427 1.955164 -0.777194 -0.776130 -0.775280 -0.755450 -0.696782 -0.696528 -0.658243 -0.695828 -0.696950 -0.698957 -0.694181 -0.698188 -0.666485 -0.696135 -0.696088 -0.696494 -0.723841 -0.725556 -0.726467 -0.692985 -0.725150 -0.726902 -0.725601 -0.725866 -0.726728 -0.682397 -0.724676 -0.725014 -0.615742 -0.613133 -0.608305 -0.605647 -0.612774 -0.616419 -0.621228 -0.616484 -0.603531 -0.610045 -0.614271 -0.614758 1.551717 0.452143 2.053470 2.051986 2.053427 2.049254 2.051984 2.051780 2.081447 2.052111 2.050537 2.049043 2.053800 2.052120 -0.830143 -0.823935 -0.824951 -0.812429 -0.770662 -0.770463 -0.759577 -0.771184 -0.771186 -0.771168 -0.770138 -0.771142 -0.767262 -0.770574 -0.771286 -0.769643 -0.760302 -0.762867 -0.762896 -0.745163 -0.760979 -0.759383 -0.767191 -0.756665 -0.763890 -0.730849 -0.760969 -0.759795 -0.583311 -0.581240 -0.577163 -0.574070 -0.580418 -0.584362 -0.624496 -0.584202 -0.572849 -0.577811 -0.581821 -0.582842 1.516043 0.454277 -8.35873361 6.97712139 -1.98950277 11.06827772 15.99276984 -34.71385745 10.82190214 3.83970709 -7.68971801 -19.83247692 -428.1603 406.2882 -44.4682 -391.9809 -5.1126 -463.4338 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 0 Nov04-2023 11:31:56 Nodes: 1 Procs: 1 Nov04-2023 11:31:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Nov04-2023 11:31:57 Nodes: 1 Procs: 1 Nov04-2023 11:31:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Nov04-2023 11:31:58 Nodes: 1 Procs: 1 Nov04-2023 11:31:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Nov04-2023 11:32:01 Nodes: 1 Procs: 28 *** (NO TITLE) *** -2 -17.02179286 -17.02352548 -17.02538705 -17.02599229 -17.02726132 -17.02934626 -17.03005831 -17.03032263 -17.03048259 -17.03058600 -17.03065824 -17.03083322 -17.03084463 -17.03085332 -17.03087769 GEOMETRY CONVERGED