ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:09 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.50 0.05 2.63 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:17 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.57 0.08 2.13 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:28 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.98 0.07 1.34 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:43 Arsenic (TZP, 3p frozen) c3-12 c3-12 c3-12 c3-12 c3-12 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.12 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:08 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2745.1776000000054 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-0.973196 -0.977092 Rho 0.3190160E+03 3,-3 15 3 -3 0.978346 0.987461 -0.976424 Rho 0.3190252E+03 3,-3 16 3 -3 -0.978274 0.987575 0.976373 Rho 0.3190252E+03 3,-3 17 3 -3 -3.002218 -1.166504 1.156433 Rho 0.3189482E+03 3,-3 18 3 -3 3.002186 -1.166759 -1.156420 Rho 0.3189482E+03 3,-3 19 3 -3 -3.001120 1.149553 -1.136777 Rho 0.3188722E+03 3,-3 20 3 -3 3.001122 1.149441 1.136695 Rho 0.3188721E+03 3,-3 21 3 -3 1.148814 -1.150038 -3.009908 Rho 0.3189422E+03 3,-3 22 3 -3 1.160835 1.148400 2.993270 Rho 0.3188699E+03 3,-3 23 3 -3 -1.160803 1.148297 -2.993291 Rho 0.3188699E+03 3,-3 24 3 -3 -1.148889 -1.149840 3.009974 Rho 0.3189422E+03 3,-3 25 3 -3 -1.144714 2.998909 -1.153551 Rho 0.3188732E+03 3,-3 26 3 -3 -1.149516 -2.995567 1.158031 Rho 0.3188747E+03 3,-3 27 3 -3 1.144877 2.998878 1.153428 Rho 0.3188732E+03 3,-3 28 3 -3 1.149341 -2.995616 -1.157812 Rho 0.3188747E+03 3,-3 29 3 -3 3.414039 -1.514327 1.500383 Rho 0.3189798E+03 3,-3 30 3 -3 -3.414124 -1.514240 -1.500274 Rho 0.3189798E+03 3,-3 31 3 -3 3.412072 1.526029 -1.518970 Rho 0.3190566E+03 3,-3 32 3 -3 -3.411969 1.526306 1.518894 Rho 0.3190566E+03 3,-3 33 3 -3 1.527586 -1.511704 3.407203 Rho 0.3189796E+03 3,-3 34 3 -3 1.512277 1.510319 -3.419291 Rho 0.3190485E+03 3,-3 35 3 -3 -1.512196 1.510573 3.419226 Rho 0.3190485E+03 3,-3 36 3 -3 -1.527663 -1.511801 -3.407109 Rho 0.3189796E+03 3,-3 37 3 -3 -1.507485 -3.408053 -1.515476 Rho 0.3189814E+03 3,-3 38 3 -3 -1.513482 3.412097 1.524290 Rho 0.3189866E+03 3,-3 39 3 -3 1.507298 -3.408037 1.515630 Rho 0.3189814E+03 3,-3 40 3 -3 1.513643 3.411925 -1.524488 Rho 0.3189866E+03 3,-3 41 3 -3 -0.214399 -3.732949 3.765863 Rho 0.3194068E+03 3,-3 42 3 -3 0.214311 -3.733132 -3.765625 Rho 0.3194068E+03 3,-3 43 3 -3 -0.204976 3.732768 -3.766938 Rho 0.3194082E+03 3,-3 44 3 -3 0.205089 3.733003 3.766697 Rho 0.3194081E+03 3,-3 45 3 -3 3.735839 -3.769789 -0.202991 Rho 0.3194083E+03 3,-3 46 3 -3 3.732636 3.760055 0.215862 Rho 0.3194077E+03 3,-3 47 3 -3 -3.732492 3.760233 -0.216069 Rho 0.3194077E+03 3,-3 48 3 -3 -3.736004 -3.769611 0.203193 Rho 0.3194083E+03 3,-3 49 3 -3 -3.764682 0.214294 -3.733099 Rho 0.3194082E+03 3,-3 50 3 -3 -3.774438 -0.215684 3.740718 Rho 0.3195576E+03 3,-3 51 3 -3 3.764648 0.214387 3.733106 Rho 0.3194082E+03 3,-3 52 3 -3 3.774425 -0.216064 -3.740737 Rho 0.3195576E+03 3,-3 53 3 -3 0.000008 0.011071 0.000004 Rho 0.4276078E+05 3,-3 54 3 -1 -1.730647 -0.531752 -1.722705 Rho 0.4731127E-01 |GRAD(Rho)| 0.4542129E-16 GRAD(Rho)x -0.3356792E-16 GRAD(Rho)y -0.2159638E-16 GRAD(Rho)z 0.2167684E-16 Laplacian 0.1938373E+00 (-1/4)Del**2(Rho)) -0.4845932E-01 Diamond 0.9023599E-01 Metallicity 0.2200139E+01 Ellipticity 0.1105316E-01 Gb(Abramov) 0.5007576E-01 Vb(Abramov) -0.5169219E-01 Hb(Abramov) -0.1616435E-02 Ex_ueg -0.1263779E-01 Ec_ueg -0.2266799E-02 Delta_ex -0.1569282E-01 Delta_ec 0.5702376E-02 Delta_et -0.5924709E-01 Pxc 0.5575172E+01 Qxc -0.2751979E+01 3,-1 55 3 +1 -0.528715 1.665612 -0.533947 Rho 0.9193024E-02 |GRAD(Rho)| 0.4491918E-13 GRAD(Rho)x 0.1207537E-13 GRAD(Rho)y 0.1346262E-13 GRAD(Rho)z 0.4111783E-13 Laplacian 0.3568229E-01 (-1/4)Del**2(Rho)) -0.8920572E-02 Diamond 0.1032315E-02 Metallicity 0.7790963E+00 Ellipticity -0.1464534E+01 Gb(Abramov) 0.7105379E-02 Vb(Abramov) -0.5290186E-02 Hb(Abramov) 0.1815193E-02 Ex_ueg -0.1422317E-02 Ec_ueg -0.3315911E-03 Delta_ex -0.1652384E-02 Delta_ec 0.4921848E-03 Delta_et -0.3429996E-02 Pxc 0.4289369E+01 Qxc -0.3357242E+01 3,+1 56 3 +1 1.665247 -0.526771 -0.542078 Rho 0.8688175E-02 |GRAD(Rho)| 0.3018709E-15 GRAD(Rho)x -0.9031889E-16 GRAD(Rho)y -0.1182320E-15 GRAD(Rho)z 0.2626589E-15 Laplacian 0.3369854E-01 (-1/4)Del**2(Rho)) -0.8424635E-02 Diamond 0.9243981E-03 Metallicity 0.7508440E+00 Ellipticity -0.1469021E+01 Gb(Abramov) 0.6670688E-02 Vb(Abramov) -0.4916741E-02 Hb(Abramov) 0.1753947E-02 Ex_ueg -0.1319137E-02 Ec_ueg -0.3089271E-03 Delta_ex -0.1547888E-02 Delta_ec 0.4820944E-03 Delta_et -0.3297347E-02 Pxc 0.4270059E+01 Qxc -0.3210758E+01 3,+1 57 3 -1 -3.183362 3.210959 -0.070013 Rho 0.2531334E+00 |GRAD(Rho)| 0.8832996E-15 GRAD(Rho)x 0.5831923E-15 GRAD(Rho)y -0.5720251E-15 GRAD(Rho)z 0.3359943E-15 Laplacian 0.9214968E+00 (-1/4)Del**2(Rho)) -0.2303742E+00 Diamond 0.3459797E+01 Metallicity 0.7574752E+01 Ellipticity 0.1236184E-02 Gb(Abramov) 0.4444207E+00 Vb(Abramov) -0.6584672E+00 Hb(Abramov) -0.2140465E+00 Ex_ueg -0.1182636E+00 Ec_ueg -0.1535171E-01 Delta_ex -0.1128252E+00 Delta_ec 0.1989917E-01 Delta_et -0.2753965E+00 Pxc 0.7703610E+01 Qxc -0.5669844E+01 3,-1 58 3 -1 -3.212990 0.065571 -3.187707 Rho 0.2536064E+00 |GRAD(Rho)| 0.1749445E-12 GRAD(Rho)x 0.1217778E-12 GRAD(Rho)y -0.3366022E-13 GRAD(Rho)z 0.1210072E-12 Laplacian 0.9206963E+00 (-1/4)Del**2(Rho)) -0.2301741E+00 Diamond 0.3465598E+01 Metallicity 0.7604964E+01 Ellipticity 0.1103280E-02 Gb(Abramov) 0.4451936E+00 Vb(Abramov) -0.6602132E+00 Hb(Abramov) -0.2150196E+00 Ex_ueg -0.1185583E+00 Ec_ueg -0.1538475E-01 Delta_ex -0.1127876E+00 Delta_ec 0.1987959E-01 Delta_et -0.2751768E+00 Pxc 0.7706222E+01 Qxc -0.5673538E+01 3,-1 59 3 -1 -2.895293 -0.036892 -0.018009 Rho 0.5436111E-02 |GRAD(Rho)| 0.1759382E-16 GRAD(Rho)x 0.4135227E-17 GRAD(Rho)y -0.8051433E-17 GRAD(Rho)z -0.1508697E-16 Laplacian 0.2180652E-01 (-1/4)Del**2(Rho)) -0.5451630E-02 Diamond 0.6515829E-03 Metallicity 0.5310972E+00 Ellipticity 0.3168503E+01 Gb(Abramov) 0.4116977E-02 Vb(Abramov) -0.2782325E-02 Hb(Abramov) 0.1334652E-02 Ex_ueg -0.7059427E-03 Ec_ueg -0.1657284E-03 Delta_ex -0.1170495E-02 Delta_ec 0.8090604E-03 Delta_et -0.4456543E-02 Pxc 0.4259635E+01 Qxc -0.1446733E+01 3,-1 60 3 +1 -2.888731 0.178404 0.198767 Rho 0.5364238E-02 |GRAD(Rho)| 0.8228962E-15 GRAD(Rho)x -0.5130861E-16 GRAD(Rho)y 0.5730409E-15 GRAD(Rho)z 0.5883449E-15 Laplacian 0.2231387E-01 (-1/4)Del**2(Rho)) -0.5578467E-02 Diamond 0.5318748E-03 Metallicity 0.5076352E+00 Ellipticity -0.2286216E+01 Gb(Abramov) 0.4190949E-02 Vb(Abramov) -0.2803431E-02 Hb(Abramov) 0.1387518E-02 Ex_ueg -0.6935256E-03 Ec_ueg -0.1626210E-03 Delta_ex -0.1090767E-02 Delta_ec 0.6421380E-03 Delta_et -0.3585977E-02 Pxc 0.4264675E+01 Qxc -0.1698648E+01 3,+1 61 3 -1 -3.223511 -0.066128 3.186061 Rho 0.2429129E+00 |GRAD(Rho)| 0.9970663E-15 GRAD(Rho)x -0.6301925E-15 GRAD(Rho)y -0.1561251E-15 GRAD(Rho)z 0.7567189E-15 Laplacian 0.8634548E+00 (-1/4)Del**2(Rho)) -0.2158637E+00 Diamond 0.3116685E+01 Metallicity 0.7547291E+01 Ellipticity 0.3830268E-03 Gb(Abramov) 0.4154402E+00 Vb(Abramov) -0.6150166E+00 Hb(Abramov) -0.1995765E+00 Ex_ueg -0.1119401E+00 Ec_ueg -0.1464070E-01 Delta_ex -0.1047478E+00 Delta_ec 0.1917657E-01 Delta_et -0.2664970E+00 Pxc 0.7645815E+01 Qxc -0.5462280E+01 3,-1 62 3 -1 -2.007454 0.844120 2.985468 Rho 0.1247296E+00 |GRAD(Rho)| 0.6043309E-15 GRAD(Rho)x 0.1168363E-15 GRAD(Rho)y 0.5712661E-15 GRAD(Rho)z 0.1588085E-15 Laplacian 0.4865206E+00 (-1/4)Del**2(Rho)) -0.1216302E+00 Diamond 0.7837958E+00 Metallicity 0.4410230E+01 Ellipticity 0.3976497E-01 Gb(Abramov) 0.1704896E+00 Vb(Abramov) -0.2193490E+00 Hb(Abramov) -0.4885944E-01 Ex_ueg -0.4602684E-01 Ec_ueg -0.6846061E-02 Delta_ex -0.4988110E-01 Delta_ec 0.1276858E-01 Delta_et -0.1649636E+00 Pxc 0.6723113E+01 Qxc -0.3906551E+01 3,-1 63 3 -1 -1.749500 0.537728 1.727997 Rho 0.4214619E-01 |GRAD(Rho)| 0.7213188E-16 GRAD(Rho)x 0.4531372E-16 GRAD(Rho)y -0.1091614E-18 GRAD(Rho)z -0.5612186E-16 Laplacian 0.1790538E+00 (-1/4)Del**2(Rho)) -0.4476344E-01 Diamond 0.7352887E-01 Metallicity 0.1964386E+01 Ellipticity 0.9035639E-02 Gb(Abramov) 0.4449774E-01 Vb(Abramov) -0.4423204E-01 Hb(Abramov) 0.2656999E-03 Ex_ueg -0.1083252E-01 Ec_ueg -0.1985580E-02 Delta_ex -0.1420687E-01 Delta_ec 0.5494122E-02 Delta_et -0.5539725E-01 Pxc 0.5455595E+01 Qxc -0.2585831E+01 3,-1 64 3 -1 -3.002127 0.855399 1.991347 Rho 0.1362852E+00 |GRAD(Rho)| 0.2369833E-12 GRAD(Rho)x 0.7511418E-13 GRAD(Rho)y -0.1747354E-12 GRAD(Rho)z 0.1413737E-12 Laplacian 0.5340425E+00 (-1/4)Del**2(Rho)) -0.1335106E+00 Diamond 0.9557662E+00 Metallicity 0.4657133E+01 Ellipticity 0.5436972E-01 Gb(Abramov) 0.1926365E+00 Vb(Abramov) -0.2517625E+00 Hb(Abramov) -0.5912591E-01 Ex_ueg -0.5179845E-01 Ec_ueg -0.7571438E-02 Delta_ex -0.5592480E-01 Delta_ec 0.1369560E-01 Delta_et -0.1794080E+00 Pxc 0.6841296E+01 Qxc -0.4083412E+01 3,-1 65 3 -1 -3.188909 -3.219217 0.055904 Rho 0.2535588E+00 |GRAD(Rho)| 0.5360241E-15 GRAD(Rho)x -0.4121052E-15 GRAD(Rho)y -0.1885428E-15 GRAD(Rho)z 0.2862565E-15 Laplacian 0.9197392E+00 (-1/4)Del**2(Rho)) -0.2299348E+00 Diamond 0.3462768E+01 Metallicity 0.7610495E+01 Ellipticity 0.1285675E-02 Gb(Abramov) 0.4449428E+00 Vb(Abramov) -0.6599508E+00 Hb(Abramov) -0.2150080E+00 Ex_ueg -0.1185286E+00 Ec_ueg -0.1538142E-01 Delta_ex -0.1126725E+00 Delta_ec 0.1987381E-01 Delta_et -0.2751614E+00 Pxc 0.7705959E+01 Qxc -0.5669397E+01 3,-1 66 3 -1 -2.987270 -1.995550 -0.851615 Rho 0.1417963E+00 |GRAD(Rho)| 0.1315473E-13 GRAD(Rho)x -0.1112683E-13 GRAD(Rho)y -0.6881485E-14 GRAD(Rho)z 0.1373223E-14 Laplacian 0.5588016E+00 (-1/4)Del**2(Rho)) -0.1397004E+00 Diamond 0.1061741E+01 Metallicity 0.4754777E+01 Ellipticity 0.3498966E-01 Gb(Abramov) 0.2038410E+00 Vb(Abramov) -0.2679815E+00 Hb(Abramov) -0.6414057E-01 Ex_ueg -0.5460991E-01 Ec_ueg -0.7920442E-02 Delta_ex -0.5922462E-01 Delta_ec 0.1443932E-01 Delta_et -0.1908012E+00 Pxc 0.6894805E+01 Qxc -0.4101621E+01 3,-1 67 3 +1 -2.167637 1.094943 1.366341 Rho 0.2809933E-01 |GRAD(Rho)| 0.9165062E-16 GRAD(Rho)x -0.8535343E-16 GRAD(Rho)y -0.3706860E-17 GRAD(Rho)z 0.3317962E-16 Laplacian 0.1140496E+00 (-1/4)Del**2(Rho)) -0.2851240E-01 Diamond 0.1787204E-01 Metallicity 0.1569204E+01 Ellipticity -0.4236663E+01 Gb(Abramov) 0.2646522E-01 Vb(Abramov) -0.2441805E-01 Hb(Abramov) 0.2047173E-02 Ex_ueg -0.6309277E-02 Ec_ueg -0.1245992E-02 Delta_ex -0.7351618E-02 Delta_ec 0.1993513E-02 Delta_et -0.1809397E-01 Pxc 0.5063660E+01 Qxc -0.3687771E+01 3,+1 68 3 -1 -2.982029 1.999604 0.852927 Rho 0.1361755E+00 |GRAD(Rho)| 0.1308593E-14 GRAD(Rho)x 0.7884386E-15 GRAD(Rho)y 0.8156860E-15 GRAD(Rho)z -0.6522560E-15 Laplacian 0.5342106E+00 (-1/4)Del**2(Rho)) -0.1335527E+00 Diamond 0.9691623E+00 Metallicity 0.4649424E+01 Ellipticity 0.3098937E-01 Gb(Abramov) 0.1925256E+00 Vb(Abramov) -0.2514985E+00 Hb(Abramov) -0.5897294E-01 Ex_ueg -0.5174287E-01 Ec_ueg -0.7564512E-02 Delta_ex -0.5609031E-01 Delta_ec 0.1398625E-01 Delta_et -0.1837673E+00 Pxc 0.6840213E+01 Qxc -0.4010390E+01 3,-1 69 3 +1 -1.220671 2.176085 1.235880 Rho 0.2956963E-01 |GRAD(Rho)| 0.3244043E-14 GRAD(Rho)x -0.8406478E-15 GRAD(Rho)y 0.2592136E-14 GRAD(Rho)z 0.1760102E-14 Laplacian 0.1220428E+00 (-1/4)Del**2(Rho)) -0.3051070E-01 Diamond 0.2191744E-01 Metallicity 0.1596531E+01 Ellipticity -0.9255691E+01 Gb(Abramov) 0.2845902E-01 Vb(Abramov) -0.2640733E-01 Hb(Abramov) 0.2051687E-02 Ex_ueg -0.6753251E-02 Ec_ueg -0.1321429E-02 Delta_ex -0.8096913E-02 Delta_ec 0.2350440E-02 Delta_et -0.2157625E-01 Pxc 0.5110565E+01 Qxc -0.3444850E+01 3,+1 70 3 +1 -1.665243 -0.526632 0.542103 Rho 0.8688703E-02 |GRAD(Rho)| 0.5813385E-13 GRAD(Rho)x -0.4788897E-13 GRAD(Rho)y -0.2845003E-13 GRAD(Rho)z -0.1663693E-13 Laplacian 0.3370073E-01 (-1/4)Del**2(Rho)) -0.8425183E-02 Diamond 0.9245299E-03 Metallicity 0.7508711E+00 Ellipticity -0.1469036E+01 Gb(Abramov) 0.6671160E-02 Vb(Abramov) -0.4917137E-02 Hb(Abramov) 0.1754023E-02 Ex_ueg -0.1319244E-02 Ec_ueg -0.3089507E-03 Delta_ex -0.1548011E-02 Delta_ec 0.4821219E-03 Delta_et -0.3297590E-02 Pxc 0.4270078E+01 Qxc -0.3210828E+01 3,+1 71 3 -1 -2.770505 -1.818847 0.559470 Rho 0.1365776E+00 |GRAD(Rho)| 0.2600569E-12 GRAD(Rho)x -0.5779795E-13 GRAD(Rho)y 0.1883644E-12 GRAD(Rho)z 0.1697287E-12 Laplacian 0.5727432E+00 (-1/4)Del**2(Rho)) -0.1431858E+00 Diamond 0.1038348E+01 Metallicity 0.4357985E+01 Ellipticity 0.1090801E-01 Gb(Abramov) 0.1994575E+00 Vb(Abramov) -0.2557292E+00 Hb(Abramov) -0.5627167E-01 Ex_ueg -0.5194668E-01 Ec_ueg -0.7589906E-02 Delta_ex -0.6012933E-01 Delta_ec 0.1489561E-01 Delta_et -0.1956290E+00 Pxc 0.6844179E+01 Qxc -0.4036714E+01 3,-1 72 3 +1 -0.156497 -2.883072 -0.156764 Rho 0.5402326E-02 |GRAD(Rho)| 0.9776447E-17 GRAD(Rho)x -0.3540838E-17 GRAD(Rho)y 0.4918215E-19 GRAD(Rho)z 0.9112571E-17 Laplacian 0.2224667E-01 (-1/4)Del**2(Rho)) -0.5561669E-02 Diamond 0.5595458E-03 Metallicity 0.5152081E+00 Ellipticity -0.2952672E+01 Gb(Abramov) 0.4185349E-02 Vb(Abramov) -0.2809029E-02 Hb(Abramov) 0.1376320E-02 Ex_ueg -0.7000990E-03 Ec_ueg -0.1642674E-03 Delta_ex -0.1109298E-02 Delta_ec 0.6763900E-03 Delta_et -0.3769340E-02 Pxc 0.4261947E+01 Qxc -0.1640027E+01 3,+1 73 3 +1 -2.169826 -1.236745 -1.210196 Rho 0.2907697E-01 |GRAD(Rho)| 0.5868973E-16 GRAD(Rho)x -0.4952991E-16 GRAD(Rho)y -0.3106531E-16 GRAD(Rho)z 0.5120430E-17 Laplacian 0.1195297E+00 (-1/4)Del**2(Rho)) -0.2988243E-01 Diamond 0.2101779E-01 Metallicity 0.1585085E+01 Ellipticity -0.9233351E+01 Gb(Abramov) 0.2781598E-01 Vb(Abramov) -0.2574954E-01 Hb(Abramov) 0.2066446E-02 Ex_ueg -0.6603648E-02 Ec_ueg -0.1296095E-02 Delta_ex -0.7898717E-02 Delta_ec 0.2308655E-02 Delta_et -0.2110353E-01 Pxc 0.5095033E+01 Qxc -0.3421350E+01 3,+1 74 3 +1 -2.891669 -0.157071 -0.139005 Rho 0.5420900E-02 |GRAD(Rho)| 0.2822093E-13 GRAD(Rho)x -0.4876295E-14 GRAD(Rho)y 0.2761154E-13 GRAD(Rho)z -0.3200859E-14 Laplacian 0.2221409E-01 (-1/4)Del**2(Rho)) -0.5553523E-02 Diamond 0.5710913E-03 Metallicity 0.5189238E+00 Ellipticity -0.3418787E+01 Gb(Abramov) 0.4182658E-02 Vb(Abramov) -0.2811793E-02 Hb(Abramov) 0.1370865E-02 Ex_ueg -0.7033101E-03 Ec_ueg -0.1650706E-03 Delta_ex -0.1116578E-02 Delta_ec 0.6899558E-03 Delta_et -0.3842846E-02 Pxc 0.4260664E+01 Qxc -0.1618333E+01 3,+1 75 3 +1 -1.744160 -1.735317 1.752316 Rho 0.1228524E-01 |GRAD(Rho)| 0.1491931E-16 GRAD(Rho)x -0.7660046E-17 GRAD(Rho)y 0.1268629E-16 GRAD(Rho)z -0.1722687E-17 Laplacian 0.6218935E-01 (-1/4)Del**2(Rho)) -0.1554734E-01 Diamond 0.2568440E-02 Metallicity 0.7247750E+00 Ellipticity -0.1246999E+01 Gb(Abramov) 0.1224294E-01 Vb(Abramov) -0.8938552E-02 Hb(Abramov) 0.3304392E-02 Ex_ueg -0.2093614E-02 Ec_ueg -0.4727526E-03 Delta_ex -0.3074470E-02 Delta_ec 0.8046662E-03 Delta_et -0.6070319E-02 Pxc 0.4428561E+01 Qxc -0.3820802E+01 3,+1 76 3 +1 -1.657240 0.532823 -0.531990 Rho 0.9091341E-02 |GRAD(Rho)| 0.1205063E-12 GRAD(Rho)x -0.8460561E-13 GRAD(Rho)y 0.8229999E-13 GRAD(Rho)z -0.2429778E-13 Laplacian 0.3532210E-01 (-1/4)Del**2(Rho)) -0.8830525E-02 Diamond 0.1008555E-02 Metallicity 0.7725854E+00 Ellipticity -0.1461021E+01 Gb(Abramov) 0.7024073E-02 Vb(Abramov) -0.5217620E-02 Hb(Abramov) 0.1806453E-02 Ex_ueg -0.1401379E-02 Ec_ueg -0.3270173E-03 Delta_ex -0.1631923E-02 Delta_ec 0.4887498E-03 Delta_et -0.3395175E-02 Pxc 0.4285336E+01 Qxc -0.3338973E+01 3,+1 77 3 -1 -2.778919 0.560726 -1.791248 Rho 0.1403820E+00 |GRAD(Rho)| 0.2169419E-13 GRAD(Rho)x 0.5580443E-14 GRAD(Rho)y 0.2093651E-13 GRAD(Rho)z -0.1076491E-14 Laplacian 0.5909817E+00 (-1/4)Del**2(Rho)) -0.1477454E+00 Diamond 0.1105648E+01 Metallicity 0.4421383E+01 Ellipticity 0.8073545E-02 Gb(Abramov) 0.2073701E+00 Vb(Abramov) -0.2669948E+00 Hb(Abramov) -0.5962470E-01 Ex_ueg -0.5388488E-01 Ec_ueg -0.7830694E-02 Delta_ex -0.6244117E-01 Delta_ec 0.1523445E-01 Delta_et -0.2008512E+00 Pxc 0.6881239E+01 Qxc -0.4098682E+01 3,-1 78 3 +3 -2.318727 -0.001985 0.019215 Rho 0.4724823E-02 |GRAD(Rho)| 0.7707460E-17 GRAD(Rho)x 0.3237253E-17 GRAD(Rho)y 0.6097454E-17 GRAD(Rho)z -0.3427270E-17 Laplacian 0.1929260E-01 (-1/4)Del**2(Rho)) -0.4823151E-02 Diamond 0.1787232E-03 Metallicity 0.4751873E+00 Ellipticity -0.3124245E+00 Gb(Abramov) 0.3597417E-02 Vb(Abramov) -0.2371684E-02 Hb(Abramov) 0.1225734E-02 Ex_ueg -0.5855523E-03 Ec_ueg -0.1350901E-03 Delta_ex -0.7102894E-03 Delta_ec 0.1816072E-03 Delta_et -0.1142843E-02 Pxc 0.4334533E+01 Qxc -0.3911131E+01 3,+3 79 3 -1 -1.979379 -2.996915 -0.860862 Rho 0.1468999E+00 |GRAD(Rho)| 0.1964399E-15 GRAD(Rho)x 0.7579928E-16 GRAD(Rho)y 0.5502326E-17 GRAD(Rho)z 0.1811431E-15 Laplacian 0.5795783E+00 (-1/4)Del**2(Rho)) -0.1448946E+00 Diamond 0.1147968E+01 Metallicity 0.4862621E+01 Ellipticity 0.4021825E-01 Gb(Abramov) 0.2140243E+00 Vb(Abramov) -0.2831540E+00 Hb(Abramov) -0.6912971E-01 Ex_ueg -0.5724627E-01 Ec_ueg -0.8245362E-02 Delta_ex -0.6194908E-01 Delta_ec 0.1482807E-01 Delta_et -0.1969152E+00 Pxc 0.6942846E+01 Qxc -0.4177824E+01 3,-1 80 3 +1 -1.180437 -2.165726 -1.269789 Rho 0.2906210E-01 |GRAD(Rho)| 0.5510352E-16 GRAD(Rho)x 0.1273872E-16 GRAD(Rho)y -0.4490625E-16 GRAD(Rho)z -0.2928399E-16 Laplacian 0.1193274E+00 (-1/4)Del**2(Rho)) -0.2983185E-01 Diamond 0.2088031E-01 Metallicity 0.1586419E+01 Ellipticity -0.8638358E+01 Gb(Abramov) 0.2777554E-01 Vb(Abramov) -0.2571922E-01 Hb(Abramov) 0.2056314E-02 Ex_ueg -0.6599145E-02 Ec_ueg -0.1295331E-02 Delta_ex -0.7876538E-02 Delta_ec 0.2290922E-02 Delta_et -0.2094017E-01 Pxc 0.5094562E+01 Qxc -0.3438153E+01 3,+1 81 3 +1 -0.188604 0.187248 2.894342 Rho 0.5372544E-02 |GRAD(Rho)| 0.7773973E-14 GRAD(Rho)x 0.7392995E-14 GRAD(Rho)y -0.1198485E-15 GRAD(Rho)z -0.2400817E-14 Laplacian 0.2231288E-01 (-1/4)Del**2(Rho)) -0.5578219E-02 Diamond 0.5249228E-03 Metallicity 0.5089686E+00 Ellipticity -0.2179831E+01 Gb(Abramov) 0.4192002E-02 Vb(Abramov) -0.2805786E-02 Hb(Abramov) 0.1386217E-02 Ex_ueg -0.6949578E-03 Ec_ueg -0.1629800E-03 Delta_ex -0.1084277E-02 Delta_ec 0.6300026E-03 Delta_et -0.3525135E-02 Pxc 0.4264069E+01 Qxc -0.1721067E+01 3,+1 82 3 +1 0.148115 -0.143524 2.887937 Rho 0.5453593E-02 |GRAD(Rho)| 0.2995825E-14 GRAD(Rho)x 0.2102136E-14 GRAD(Rho)y -0.2133590E-14 GRAD(Rho)z 0.6150847E-16 Laplacian 0.2229690E-01 (-1/4)Del**2(Rho)) -0.5574225E-02 Diamond 0.5869775E-03 Metallicity 0.5222037E+00 Ellipticity -0.4088835E+01 Gb(Abramov) 0.4201297E-02 Vb(Abramov) -0.2828369E-02 Hb(Abramov) 0.1372928E-02 Ex_ueg -0.7089714E-03 Ec_ueg -0.1664847E-03 Delta_ex -0.1129592E-02 Delta_ec 0.7059680E-03 Delta_et -0.3933663E-02 Pxc 0.4258478E+01 Qxc -0.1600061E+01 3,+1 83 3 +1 1.220465 2.175941 -1.236329 Rho 0.2956992E-01 |GRAD(Rho)| 0.5722432E-16 GRAD(Rho)x 0.7638830E-17 GRAD(Rho)y 0.4412319E-16 GRAD(Rho)z -0.3562885E-16 Laplacian 0.1220434E+00 (-1/4)Del**2(Rho)) -0.3051085E-01 Diamond 0.2191740E-01 Metallicity 0.1596550E+01 Ellipticity -0.9253194E+01 Gb(Abramov) 0.2845925E-01 Vb(Abramov) -0.2640764E-01 Hb(Abramov) 0.2051602E-02 Ex_ueg -0.6753339E-02 Ec_ueg -0.1321444E-02 Delta_ex -0.8096934E-02 Delta_ec 0.2350382E-02 Delta_et -0.2157578E-01 Pxc 0.5110574E+01 Qxc -0.3444944E+01 3,+1 84 3 -1 -1.721868 -1.733076 -0.537707 Rho 0.4663612E-01 |GRAD(Rho)| 0.4058861E-16 GRAD(Rho)x 0.8467365E-17 GRAD(Rho)y 0.2413578E-16 GRAD(Rho)z -0.3151513E-16 Laplacian 0.1910059E+00 (-1/4)Del**2(Rho)) -0.4775146E-01 Diamond 0.8709107E-01 Metallicity 0.2179903E+01 Ellipticity 0.1225627E-01 Gb(Abramov) 0.4918323E-01 Vb(Abramov) -0.5061500E-01 Hb(Abramov) -0.1431770E-02 Ex_ueg -0.1239790E-01 Ec_ueg -0.2229792E-02 Delta_ex -0.1540283E-01 Delta_ec 0.5610737E-02 Delta_et -0.5807323E-01 Pxc 0.5560116E+01 Qxc -0.2745241E+01 3,-1 85 3 +3 -1.115191 -1.091577 1.113709 Rho 0.5209113E-02 |GRAD(Rho)| 0.3608528E-17 GRAD(Rho)x 0.3380113E-17 GRAD(Rho)y -0.8868633E-18 GRAD(Rho)z -0.8998815E-18 Laplacian 0.2021277E-01 (-1/4)Del**2(Rho)) -0.5053192E-02 Diamond 0.1485607E-03 Metallicity 0.5336547E+00 Ellipticity -0.5521793E-01 Gb(Abramov) 0.3818238E-02 Vb(Abramov) -0.2583284E-02 Hb(Abramov) 0.1234954E-02 Ex_ueg -0.6669144E-03 Ec_ueg -0.1559229E-03 Delta_ex -0.7056826E-03 Delta_ec 0.8787080E-04 Delta_et -0.7038736E-03 Pxc 0.4277207E+01 Qxc -0.8030911E+01 3,+3 86 3 +1 -1.742040 1.738728 -1.733966 Rho 0.1241102E-01 |GRAD(Rho)| 0.1552650E-16 GRAD(Rho)x -0.6732114E-18 GRAD(Rho)y 0.8346836E-17 GRAD(Rho)z 0.1307476E-16 Laplacian 0.6277964E-01 (-1/4)Del**2(Rho)) -0.1569491E-01 Diamond 0.2614790E-02 Metallicity 0.7302532E+00 Ellipticity -0.1242489E+01 Gb(Abramov) 0.1237348E-01 Vb(Abramov) -0.9052056E-02 Hb(Abramov) 0.3321427E-02 Ex_ueg -0.2122243E-02 Ec_ueg -0.4785762E-03 Delta_ex -0.3108013E-02 Delta_ec 0.8051400E-03 Delta_et -0.6094408E-02 Pxc 0.4434492E+01 Qxc -0.3860215E+01 3,+1 87 3 -1 -1.812102 0.560047 -2.766719 Rho 0.1414140E+00 |GRAD(Rho)| 0.4122353E-15 GRAD(Rho)x -0.2894549E-15 GRAD(Rho)y -0.2910405E-15 GRAD(Rho)z 0.3806905E-16 Laplacian 0.5964272E+00 (-1/4)Del**2(Rho)) -0.1491068E+00 Diamond 0.1126247E+01 Metallicity 0.4434822E+01 Ellipticity 0.7832759E-02 Gb(Abramov) 0.2096149E+00 Vb(Abramov) -0.2701230E+00 Hb(Abramov) -0.6050809E-01 Ex_ueg -0.5441368E-01 Ec_ueg -0.7896170E-02 Delta_ex -0.6313507E-01 Delta_ec 0.1535794E-01 Delta_et -0.2027235E+00 Pxc 0.6891149E+01 Qxc -0.4110908E+01 3,-1 88 3 +1 -0.532893 0.539493 -1.655154 Rho 0.9039289E-02 |GRAD(Rho)| 0.2197034E-16 GRAD(Rho)x 0.3959340E-17 GRAD(Rho)y -0.1451418E-16 GRAD(Rho)z 0.1601119E-16 Laplacian 0.3509558E-01 (-1/4)Del**2(Rho)) -0.8773896E-02 Diamond 0.9978352E-03 Metallicity 0.7701662E+00 Ellipticity -0.1463514E+01 Gb(Abramov) 0.6975491E-02 Vb(Abramov) -0.5177085E-02 Hb(Abramov) 0.1798406E-02 Ex_ueg -0.1390691E-02 Ec_ueg -0.3246777E-03 Delta_ex -0.1620588E-02 Delta_ec 0.4883004E-03 Delta_et -0.3384906E-02 Pxc 0.4283298E+01 Qxc -0.3318834E+01 3,+1 89 3 +1 0.532439 -1.656311 -0.530718 Rho 0.8901885E-02 |GRAD(Rho)| 0.6833045E-15 GRAD(Rho)x -0.5522522E-15 GRAD(Rho)y 0.4018443E-15 GRAD(Rho)z -0.2106424E-16 Laplacian 0.3472667E-01 (-1/4)Del**2(Rho)) -0.8681666E-02 Diamond 0.9678393E-03 Metallicity 0.7587291E+00 Ellipticity -0.1452596E+01 Gb(Abramov) 0.6885616E-02 Vb(Abramov) -0.5089566E-02 Hb(Abramov) 0.1796050E-02 Ex_ueg -0.1362577E-02 Ec_ueg -0.3185074E-03 Delta_ex -0.1597701E-02 Delta_ec 0.4838640E-03 Delta_et -0.3340479E-02 Pxc 0.4278007E+01 Qxc -0.3301963E+01 3,+1 90 3 +1 -1.215676 -1.236680 -2.168793 Rho 0.2916708E-01 |GRAD(Rho)| 0.1002353E-15 GRAD(Rho)x -0.1306946E-16 GRAD(Rho)y 0.1764678E-16 GRAD(Rho)z 0.9780032E-16 Laplacian 0.1199804E+00 (-1/4)Del**2(Rho)) -0.2999510E-01 Diamond 0.2120956E-01 Metallicity 0.1587296E+01 Ellipticity -0.9510808E+01 Gb(Abramov) 0.2793191E-01 Vb(Abramov) -0.2586873E-01 Hb(Abramov) 0.2063183E-02 Ex_ueg -0.6630949E-02 Ec_ueg -0.1300725E-02 Delta_ex -0.7936985E-02 Delta_ec 0.2320930E-02 Delta_et -0.2123177E-01 Pxc 0.5097888E+01 Qxc -0.3419744E+01 3,+1 91 3 -1 -0.000137 -2.887735 0.000053 Rho 0.5430813E-02 |GRAD(Rho)| 0.7932356E-15 GRAD(Rho)x -0.5258181E-15 GRAD(Rho)y 0.9857879E-16 GRAD(Rho)z -0.5856794E-15 Laplacian 0.2180744E-01 (-1/4)Del**2(Rho)) -0.5451860E-02 Diamond 0.6489953E-03 Metallicity 0.5302124E+00 Ellipticity 0.3367085E+01 Gb(Abramov) 0.4116347E-02 Vb(Abramov) -0.2780835E-02 Hb(Abramov) 0.1335513E-02 Ex_ueg -0.7050256E-03 Ec_ueg -0.1654993E-03 Delta_ex -0.1168869E-02 Delta_ec 0.8064781E-03 Delta_et -0.4441888E-02 Pxc 0.4259991E+01 Qxc -0.1449350E+01 3,-1 92 3 +1 -0.532510 -1.656294 0.530863 Rho 0.8900906E-02 |GRAD(Rho)| 0.2294212E-14 GRAD(Rho)x 0.1344575E-14 GRAD(Rho)y 0.1636307E-14 GRAD(Rho)z -0.8820594E-15 Laplacian 0.3472214E-01 (-1/4)Del**2(Rho)) -0.8680534E-02 Diamond 0.9675636E-03 Metallicity 0.7586889E+00 Ellipticity -0.1452568E+01 Gb(Abramov) 0.6884660E-02 Vb(Abramov) -0.5088786E-02 Hb(Abramov) 0.1795874E-02 Ex_ueg -0.1362377E-02 Ec_ueg -0.3184635E-03 Delta_ex -0.1597446E-02 Delta_ec 0.4837976E-03 Delta_et -0.3339929E-02 Pxc 0.4277970E+01 Qxc -0.3301890E+01 3,+1 93 3 -1 -1.999125 -0.854196 -2.983968 Rho 0.1421266E+00 |GRAD(Rho)| 0.2493916E-15 GRAD(Rho)x -0.1729709E-15 GRAD(Rho)y 0.1377072E-15 GRAD(Rho)z 0.1153862E-15 Laplacian 0.5602755E+00 (-1/4)Del**2(Rho)) -0.1400689E+00 Diamond 0.1067599E+01 Metallicity 0.4760696E+01 Ellipticity 0.3550264E-01 Gb(Abramov) 0.2045168E+00 Vb(Abramov) -0.2689647E+00 Hb(Abramov) -0.6444794E-01 Ex_ueg -0.5477960E-01 Ec_ueg -0.7941424E-02 Delta_ex -0.5941535E-01 Delta_ec 0.1447067E-01 Delta_et -0.1912851E+00 Pxc 0.6897958E+01 Qxc -0.4105916E+01 3,-1 94 3 -1 -1.979696 2.994967 0.857482 Rho 0.1413694E+00 |GRAD(Rho)| 0.6048114E-13 GRAD(Rho)x -0.1830789E-13 GRAD(Rho)y 0.2455881E-14 GRAD(Rho)z 0.5759130E-13 Laplacian 0.5575839E+00 (-1/4)Del**2(Rho)) -0.1393960E+00 Diamond 0.1055896E+01 Metallicity 0.4741276E+01 Ellipticity 0.3710497E-01 Gb(Abramov) 0.2030831E+00 Vb(Abramov) -0.2667702E+00 Hb(Abramov) -0.6368714E-01 Ex_ueg -0.5439081E-01 Ec_ueg -0.7893340E-02 Delta_ex -0.5905537E-01 Delta_ec 0.1442421E-01 Delta_et -0.1905277E+00 Pxc 0.6890722E+01 Qxc -0.4094183E+01 3,-1 95 3 -1 -1.825744 -0.555773 2.773205 Rho 0.1235788E+00 |GRAD(Rho)| 0.1622695E-11 GRAD(Rho)x 0.4076031E-12 GRAD(Rho)y -0.1277762E-11 GRAD(Rho)z 0.9134131E-12 Laplacian 0.5175990E+00 (-1/4)Del**2(Rho)) -0.1293997E+00 Diamond 0.8210289E+00 Metallicity 0.4081876E+01 Ellipticity 0.4548693E-02 Gb(Abramov) 0.1742988E+00 Vb(Abramov) -0.2191978E+00 Hb(Abramov) -0.4489903E-01 Ex_ueg -0.4546150E-01 Ec_ueg -0.6774311E-02 Delta_ex -0.5290306E-01 Delta_ec 0.1353129E-01 Delta_et -0.1744027E+00 Pxc 0.6710867E+01 Qxc -0.3909684E+01 3,-1 96 3 +1 -0.148200 -0.143721 -2.887910 Rho 0.5453603E-02 |GRAD(Rho)| 0.8228411E-17 GRAD(Rho)x -0.6970408E-17 GRAD(Rho)y 0.4138425E-17 GRAD(Rho)z -0.1411950E-17 Laplacian 0.2229734E-01 (-1/4)Del**2(Rho)) -0.5574334E-02 Diamond 0.5869264E-03 Metallicity 0.5221950E+00 Ellipticity -0.4083835E+01 Gb(Abramov) 0.4201371E-02 Vb(Abramov) -0.2828408E-02 Hb(Abramov) 0.1372963E-02 Ex_ueg -0.7089731E-03 Ec_ueg -0.1664851E-03 Delta_ex -0.1129561E-02 Delta_ec 0.7058874E-03 Delta_et -0.3933253E-02 Pxc 0.4258477E+01 Qxc -0.1600201E+01 3,+1 97 3 +1 0.528825 1.665601 0.533852 Rho 0.9193248E-02 |GRAD(Rho)| 0.1361717E-12 GRAD(Rho)x 0.9430301E-13 GRAD(Rho)y 0.9490439E-13 GRAD(Rho)z 0.2535425E-13 Laplacian 0.3568344E-01 (-1/4)Del**2(Rho)) -0.8920859E-02 Diamond 0.1032385E-02 Metallicity 0.7791029E+00 Ellipticity -0.1464538E+01 Gb(Abramov) 0.7105617E-02 Vb(Abramov) -0.5290375E-02 Hb(Abramov) 0.1815242E-02 Ex_ueg -0.1422363E-02 Ec_ueg -0.3316012E-03 Delta_ex -0.1652448E-02 Delta_ec 0.4922022E-03 Delta_et -0.3430138E-02 Pxc 0.4289378E+01 Qxc -0.3357254E+01 3,+1 98 3 +1 -0.543309 -0.516786 1.667039 Rho 0.8747747E-02 |GRAD(Rho)| 0.5276040E-13 GRAD(Rho)x -0.2331495E-13 GRAD(Rho)y 0.4236943E-13 GRAD(Rho)z 0.2109276E-13 Laplacian 0.3394132E-01 (-1/4)Del**2(Rho)) -0.8485330E-02 Diamond 0.9367385E-03 Metallicity 0.7540117E+00 Ellipticity -0.1467723E+01 Gb(Abramov) 0.6723227E-02 Vb(Abramov) -0.4961123E-02 Hb(Abramov) 0.1762104E-02 Ex_ueg -0.1331210E-02 Ec_ueg -0.3115956E-03 Delta_ex -0.1560400E-02 Delta_ec 0.4831846E-03 Delta_et -0.3312529E-02 Pxc 0.4272238E+01 Qxc -0.3229408E+01 3,+1 99 3 -1 -0.845815 -2.979574 -1.996152 Rho 0.1355950E+00 |GRAD(Rho)| 0.2331898E-15 GRAD(Rho)x -0.1671975E-15 GRAD(Rho)y -0.1386288E-15 GRAD(Rho)z -0.8487948E-16 Laplacian 0.5346347E+00 (-1/4)Del**2(Rho)) -0.1336587E+00 Diamond 0.9627080E+00 Metallicity 0.4612772E+01 Ellipticity 0.2892824E-01 Gb(Abramov) 0.1918620E+00 Vb(Abramov) -0.2500652E+00 Hb(Abramov) -0.5820328E-01 Ex_ueg -0.5144895E-01 Ec_ueg -0.7527863E-02 Delta_ex -0.5605106E-01 Delta_ec 0.1396582E-01 Delta_et -0.1832852E+00 Pxc 0.6834469E+01 Qxc -0.4013447E+01 3,-1 100 3 +3 -0.000058 -2.316191 0.000118 Rho 0.4742006E-02 |GRAD(Rho)| 0.4744622E-14 GRAD(Rho)x 0.2309412E-14 GRAD(Rho)y 0.3472046E-14 GRAD(Rho)z 0.2263394E-14 Laplacian 0.1938651E-01 (-1/4)Del**2(Rho)) -0.4846626E-02 Diamond 0.1801600E-03 Metallicity 0.4757555E+00 Ellipticity -0.2799825E+00 Gb(Abramov) 0.3615386E-02 Vb(Abramov) -0.2384145E-02 Hb(Abramov) 0.1231241E-02 Ex_ueg -0.5883935E-03 Ec_ueg -0.1358272E-03 Delta_ex -0.7140896E-03 Delta_ec 0.1819207E-03 Delta_et -0.1146592E-02 Pxc 0.4331926E+01 Qxc -0.3925279E+01 3,+3 101 3 +1 0.156356 -2.883087 0.157000 Rho 0.5402261E-02 |GRAD(Rho)| 0.3224871E-14 GRAD(Rho)x 0.2320917E-14 GRAD(Rho)y -0.1505807E-15 GRAD(Rho)z 0.2233934E-14 Laplacian 0.2224675E-01 (-1/4)Del**2(Rho)) -0.5561687E-02 Diamond 0.5594925E-03 Metallicity 0.5151961E+00 Ellipticity -0.2950855E+01 Gb(Abramov) 0.4185351E-02 Vb(Abramov) -0.2809015E-02 Hb(Abramov) 0.1376336E-02 Ex_ueg -0.7000878E-03 Ec_ueg -0.1642646E-03 Delta_ex -0.1109261E-02 Delta_ec 0.6763234E-03 Delta_et -0.3768984E-02 Pxc 0.4261951E+01 Qxc -0.1640133E+01 3,+1 102 3 +3 0.000075 2.326466 -0.000071 Rho 0.4893494E-02 |GRAD(Rho)| 0.5907477E-17 GRAD(Rho)x -0.2057496E-17 GRAD(Rho)y 0.4742021E-17 GRAD(Rho)z -0.2859760E-17 Laplacian 0.1994412E-01 (-1/4)Del**2(Rho)) -0.4986030E-02 Diamond 0.1930563E-03 Metallicity 0.4873377E+00 Ellipticity -0.3006346E+00 Gb(Abramov) 0.3729000E-02 Vb(Abramov) -0.2471970E-02 Hb(Abramov) 0.1257030E-02 Ex_ueg -0.6135883E-03 Ec_ueg -0.1423323E-03 Delta_ex -0.7402116E-03 Delta_ec 0.1865173E-03 Delta_et -0.1185331E-02 Pxc 0.4310957E+01 Qxc -0.3968594E+01 3,+3 103 3 +1 -0.177121 2.882503 0.178542 Rho 0.5534585E-02 |GRAD(Rho)| 0.3303434E-17 GRAD(Rho)x 0.2324128E-17 GRAD(Rho)y -0.2341033E-17 GRAD(Rho)z 0.1751281E-18 Laplacian 0.2284046E-01 (-1/4)Del**2(Rho)) -0.5710114E-02 Diamond 0.5695820E-03 Metallicity 0.5224566E+00 Ellipticity -0.2507255E+01 Gb(Abramov) 0.4303957E-02 Vb(Abramov) -0.2897800E-02 Hb(Abramov) 0.1406157E-02 Ex_ueg -0.7230447E-03 Ec_ueg -0.1699902E-03 Delta_ex -0.1124989E-02 Delta_ec 0.6598387E-03 Delta_et -0.3718069E-02 Pxc 0.4253449E+01 Qxc -0.1704946E+01 3,+1 104 3 +1 0.177297 2.882486 -0.178693 Rho 0.5534545E-02 |GRAD(Rho)| 0.2048447E-15 GRAD(Rho)x 0.1542061E-15 GRAD(Rho)y 0.8232075E-17 GRAD(Rho)z -0.1345885E-15 Laplacian 0.2284027E-01 (-1/4)Del**2(Rho)) -0.5710068E-02 Diamond 0.5695480E-03 Metallicity 0.5224544E+00 Ellipticity -0.2506751E+01 Gb(Abramov) 0.4303921E-02 Vb(Abramov) -0.2897773E-02 Hb(Abramov) 0.1406148E-02 Ex_ueg -0.7230378E-03 Ec_ueg -0.1699885E-03 Delta_ex -0.1124959E-02 Delta_ec 0.6597988E-03 Delta_et -0.3717852E-02 Pxc 0.4253451E+01 Qxc -0.1705004E+01 3,+1 105 3 -1 0.000060 2.890864 -0.000046 Rho 0.5581557E-02 |GRAD(Rho)| 0.7577143E-17 GRAD(Rho)x 0.5721264E-17 GRAD(Rho)y -0.1609183E-17 GRAD(Rho)z 0.4700082E-17 Laplacian 0.2232512E-01 (-1/4)Del**2(Rho)) -0.5581281E-02 Diamond 0.6896757E-03 Metallicity 0.5420985E+00 Ellipticity 0.2505124E+01 Gb(Abramov) 0.4225121E-02 Vb(Abramov) -0.2868961E-02 Hb(Abramov) 0.1356160E-02 Ex_ueg -0.7312381E-03 Ec_ueg -0.1720248E-03 Delta_ex -0.1202980E-02 Delta_ec 0.8261624E-03 Delta_et -0.4588203E-02 Pxc 0.4250772E+01 Qxc -0.1456105E+01 3,-1 106 3 -1 -0.539330 1.725191 1.733689 Rho 0.4819271E-01 |GRAD(Rho)| 0.1195499E-15 GRAD(Rho)x -0.1153155E-15 GRAD(Rho)y 0.1609320E-16 GRAD(Rho)z -0.2712072E-16 Laplacian 0.1978238E+00 (-1/4)Del**2(Rho)) -0.4945596E-01 Diamond 0.9453071E-01 Metallicity 0.2223157E+01 Ellipticity 0.1120601E-01 Gb(Abramov) 0.5129536E-01 Vb(Abramov) -0.5313477E-01 Hb(Abramov) -0.1839406E-02 Ex_ueg -0.1295270E-01 Ec_ueg -0.2315220E-02 Delta_ex -0.1609457E-01 Delta_ec 0.5826787E-02 Delta_et -0.6083527E-01 Pxc 0.5594586E+01 Qxc -0.2762169E+01 3,-1 107 3 -1 0.861407 1.978947 -3.002903 Rho 0.1486760E+00 |GRAD(Rho)| 0.2723080E-15 GRAD(Rho)x -0.6562134E-16 GRAD(Rho)y -0.9440690E-16 GRAD(Rho)z -0.2468457E-15 Laplacian 0.5845273E+00 (-1/4)Del**2(Rho)) -0.1461318E+00 Diamond 0.1175951E+01 Metallicity 0.4918996E+01 Ellipticity 0.4443675E-01 Gb(Abramov) 0.2172249E+00 Vb(Abramov) -0.2883179E+00 Hb(Abramov) -0.7109304E-01 Ex_ueg -0.5817096E-01 Ec_ueg -0.8358813E-02 Delta_ex -0.6267600E-01 Delta_ec 0.1493461E-01 Delta_et -0.1987247E+00 Pxc 0.6959237E+01 Qxc -0.4196696E+01 3,-1 108 3 -1 -0.859693 2.984545 2.000299 Rho 0.1412196E+00 |GRAD(Rho)| 0.1552863E-13 GRAD(Rho)x -0.6713705E-14 GRAD(Rho)y -0.6444349E-14 GRAD(Rho)z -0.1243120E-13 Laplacian 0.5557589E+00 (-1/4)Del**2(Rho)) -0.1389397E+00 Diamond 0.1052048E+01 Metallicity 0.4748447E+01 Ellipticity 0.3435890E-01 Gb(Abramov) 0.2025845E+00 Vb(Abramov) -0.2662292E+00 Hb(Abramov) -0.6364475E-01 Ex_ueg -0.5431398E-01 Ec_ueg -0.7883832E-02 Delta_ex -0.5885711E-01 Delta_ec 0.1439897E-01 Delta_et -0.1902022E+00 Pxc 0.6889287E+01 Qxc -0.4087593E+01 3,-1 109 3 +3 1.109122 1.108452 1.110226 Rho 0.5405209E-02 |GRAD(Rho)| 0.1575197E-16 GRAD(Rho)x -0.1226596E-16 GRAD(Rho)y -0.8138618E-17 GRAD(Rho)z 0.5606584E-17 Laplacian 0.2099442E-01 (-1/4)Del**2(Rho)) -0.5248606E-02 Diamond 0.1591377E-03 Metallicity 0.5464243E+00 Ellipticity -0.2979675E-01 Gb(Abramov) 0.3977065E-02 Vb(Abramov) -0.2705524E-02 Hb(Abramov) 0.1271541E-02 Ex_ueg -0.7005971E-03 Ec_ueg -0.1643921E-03 Delta_ex -0.7378970E-03 Delta_ec 0.8649977E-04 Delta_et -0.7110139E-03 Pxc 0.4261746E+01 Qxc -0.8530624E+01 3,+3 110 3 -1 0.050277 -0.046843 2.893953 Rho 0.5461796E-02 |GRAD(Rho)| 0.1922371E-16 GRAD(Rho)x 0.1021255E-16 GRAD(Rho)y -0.1549202E-16 GRAD(Rho)z -0.5025152E-17 Laplacian 0.2191161E-01 (-1/4)Del**2(Rho)) -0.5477902E-02 Diamond 0.6526488E-03 Metallicity 0.5327189E+00 Ellipticity 0.3732823E+01 Gb(Abramov) 0.4138298E-02 Vb(Abramov) -0.2798694E-02 Hb(Abramov) 0.1339604E-02 Ex_ueg -0.7103936E-03 Ec_ueg -0.1668396E-03 Delta_ex -0.1172011E-02 Delta_ec 0.8037728E-03 Delta_et -0.4436896E-02 Pxc 0.4257944E+01 Qxc -0.1458137E+01 3,-1 111 3 -1 -0.469909 -0.462849 -0.470577 Rho 0.1868953E+00 |GRAD(Rho)| 0.1725421E-11 GRAD(Rho)x 0.9794422E-12 GRAD(Rho)y 0.1027105E-11 GRAD(Rho)z 0.9812359E-12 Laplacian 0.5179897E+00 (-1/4)Del**2(Rho)) -0.1294974E+00 Diamond 0.1396280E+01 Metallicity 0.8127483E+01 Ellipticity 0.7684849E-04 Gb(Abramov) 0.2617463E+00 Vb(Abramov) -0.3939952E+00 Hb(Abramov) -0.1322489E+00 Ex_ueg -0.7891925E-01 Ec_ueg -0.1084587E-01 Delta_ex -0.5898036E-01 Delta_ec 0.1280821E-01 Delta_et -0.1762409E+00 Pxc 0.7276434E+01 Qxc -0.4604889E+01 3,-1 112 3 +3 1.115184 -1.091646 -1.113638 Rho 0.5209210E-02 |GRAD(Rho)| 0.1542524E-11 GRAD(Rho)x -0.1541225E-11 GRAD(Rho)y 0.5085060E-13 GRAD(Rho)z 0.3770967E-13 Laplacian 0.2021342E-01 (-1/4)Del**2(Rho)) -0.5053356E-02 Diamond 0.1485704E-03 Metallicity 0.5336540E+00 Ellipticity -0.5507615E-01 Gb(Abramov) 0.3818361E-02 Vb(Abramov) -0.2583367E-02 Hb(Abramov) 0.1234995E-02 Ex_ueg -0.6669310E-03 Ec_ueg -0.1559271E-03 Delta_ex -0.7057102E-03 Delta_ec 0.8787535E-04 Delta_et -0.7039073E-03 Pxc 0.4277199E+01 Qxc -0.8030809E+01 3,+3 113 3 +1 1.180323 -2.165703 1.269931 Rho 0.2906260E-01 |GRAD(Rho)| 0.2607101E-16 GRAD(Rho)x -0.9404890E-18 GRAD(Rho)y -0.1365300E-16 GRAD(Rho)z 0.2219029E-16 Laplacian 0.1193307E+00 (-1/4)Del**2(Rho)) -0.2983268E-01 Diamond 0.2088169E-01 Metallicity 0.1586421E+01 Ellipticity -0.8640023E+01 Gb(Abramov) 0.2777632E-01 Vb(Abramov) -0.2571995E-01 Hb(Abramov) 0.2056364E-02 Ex_ueg -0.6599297E-02 Ec_ueg -0.1295357E-02 Delta_ex -0.7876820E-02 Delta_ec 0.2291034E-02 Delta_et -0.2094128E-01 Pxc 0.5094578E+01 Qxc -0.3438107E+01 3,+1 114 3 +3 0.017936 0.014316 -2.317758 Rho 0.4737495E-02 |GRAD(Rho)| 0.1150993E-13 GRAD(Rho)x 0.6472592E-14 GRAD(Rho)y 0.4313487E-14 GRAD(Rho)z 0.8483974E-14 Laplacian 0.1931568E-01 (-1/4)Del**2(Rho)) -0.4828920E-02 Diamond 0.1788503E-03 Metallicity 0.4767430E+00 Ellipticity -0.3301495E+00 Gb(Abramov) 0.3602973E-02 Vb(Abramov) -0.2377025E-02 Hb(Abramov) 0.1225948E-02 Ex_ueg -0.5876473E-03 Ec_ueg -0.1356337E-03 Delta_ex -0.7108890E-03 Delta_ec 0.1805086E-03 Delta_et -0.1138452E-02 Pxc 0.4332606E+01 Qxc -0.3938255E+01 3,+3 115 3 +3 -1.109105 1.108436 -1.110256 Rho 0.5404996E-02 |GRAD(Rho)| 0.6012341E-17 GRAD(Rho)x 0.3502069E-17 GRAD(Rho)y -0.4693803E-17 GRAD(Rho)z -0.1360871E-17 Laplacian 0.2099332E-01 (-1/4)Del**2(Rho)) -0.5248330E-02 Diamond 0.1591219E-03 Metallicity 0.5464171E+00 Ellipticity -0.2997731E-01 Gb(Abramov) 0.3976850E-02 Vb(Abramov) -0.2705369E-02 Hb(Abramov) 0.1271480E-02 Ex_ueg -0.7005603E-03 Ec_ueg -0.1643828E-03 Delta_ex -0.7378511E-03 Delta_ec 0.8649704E-04 Delta_et -0.7109814E-03 Pxc 0.4261761E+01 Qxc -0.8530363E+01 3,+3 116 3 +1 2.169776 -1.236595 1.210461 Rho 0.2907800E-01 |GRAD(Rho)| 0.3131994E-10 GRAD(Rho)x -0.7990371E-11 GRAD(Rho)y 0.2369460E-10 GRAD(Rho)z 0.1885891E-10 Laplacian 0.1195365E+00 (-1/4)Del**2(Rho)) -0.2988413E-01 Diamond 0.2102078E-01 Metallicity 0.1585089E+01 Ellipticity -0.9239015E+01 Gb(Abramov) 0.2781758E-01 Vb(Abramov) -0.2575104E-01 Hb(Abramov) 0.2066544E-02 Ex_ueg -0.6603961E-02 Ec_ueg -0.1296148E-02 Delta_ex -0.7899309E-02 Delta_ec 0.2308909E-02 Delta_et -0.2110603E-01 Pxc 0.5095066E+01 Qxc -0.3421230E+01 3,+1 117 3 -1 -0.561180 1.795080 -2.778129 Rho 0.1403887E+00 |GRAD(Rho)| 0.2050110E-15 GRAD(Rho)x 0.6654291E-17 GRAD(Rho)y -0.1832844E-15 GRAD(Rho)z 0.9160831E-16 Laplacian 0.5924360E+00 (-1/4)Del**2(Rho)) -0.1481090E+00 Diamond 0.1108926E+01 Metallicity 0.4410882E+01 Ellipticity 0.8820822E-02 Gb(Abramov) 0.2076212E+00 Vb(Abramov) -0.2671335E+00 Hb(Abramov) -0.5951224E-01 Ex_ueg -0.5388833E-01 Ec_ueg -0.7831123E-02 Delta_ex -0.6260093E-01 Delta_ec 0.1528132E-01 Delta_et -0.2014907E+00 Pxc 0.6881304E+01 Qxc -0.4096564E+01 3,-1 118 3 +1 0.543285 -0.516899 -1.667000 Rho 0.8747960E-02 |GRAD(Rho)| 0.1234670E-12 GRAD(Rho)x -0.2013935E-13 GRAD(Rho)y 0.8731624E-13 GRAD(Rho)z 0.8493750E-13 Laplacian 0.3394252E-01 (-1/4)Del**2(Rho)) -0.8485631E-02 Diamond 0.9368002E-03 Metallicity 0.7540156E+00 Ellipticity -0.1467717E+01 Gb(Abramov) 0.6723470E-02 Vb(Abramov) -0.4961310E-02 Hb(Abramov) 0.1762161E-02 Ex_ueg -0.1331253E-02 Ec_ueg -0.3116051E-03 Delta_ex -0.1560464E-02 Delta_ec 0.4831997E-03 Delta_et -0.3312655E-02 Pxc 0.4272246E+01 Qxc -0.3229439E+01 3,+1 119 3 +1 1.742102 1.738715 1.733898 Rho 0.1241136E-01 |GRAD(Rho)| 0.4317630E-17 GRAD(Rho)x 0.4058739E-17 GRAD(Rho)y 0.5999285E-18 GRAD(Rho)z -0.1344862E-17 Laplacian 0.6278210E-01 (-1/4)Del**2(Rho)) -0.1569552E-01 Diamond 0.2614991E-02 Metallicity 0.7302579E+00 Ellipticity -0.1242484E+01 Gb(Abramov) 0.1237398E-01 Vb(Abramov) -0.9052435E-02 Hb(Abramov) 0.3321545E-02 Ex_ueg -0.2122320E-02 Ec_ueg -0.4785919E-03 Delta_ex -0.3108158E-02 Delta_ec 0.8051721E-03 Delta_et -0.6094692E-02 Pxc 0.4434508E+01 Qxc -0.3860240E+01 3,+1 120 3 -1 -0.861334 1.979172 3.002787 Rho 0.1486735E+00 |GRAD(Rho)| 0.3330862E-15 GRAD(Rho)x -0.3184573E-15 GRAD(Rho)y 0.3552117E-16 GRAD(Rho)z -0.9093746E-16 Laplacian 0.5845185E+00 (-1/4)Del**2(Rho)) -0.1461296E+00 Diamond 0.1175908E+01 Metallicity 0.4918933E+01 Ellipticity 0.4443589E-01 Gb(Abramov) 0.2172200E+00 Vb(Abramov) -0.2883105E+00 Hb(Abramov) -0.7109042E-01 Ex_ueg -0.5816966E-01 Ec_ueg -0.8358653E-02 Delta_ex -0.6267478E-01 Delta_ec 0.1493442E-01 Delta_et -0.1987218E+00 Pxc 0.6959214E+01 Qxc -0.4196665E+01 3,-1 121 3 +1 1.215722 -1.236514 2.168879 Rho 0.2916756E-01 |GRAD(Rho)| 0.7614391E-15 GRAD(Rho)x 0.1722882E-15 GRAD(Rho)y -0.1503653E-15 GRAD(Rho)z 0.7262896E-15 Laplacian 0.1199833E+00 (-1/4)Del**2(Rho)) -0.2999582E-01 Diamond 0.2121086E-01 Metallicity 0.1587301E+01 Ellipticity -0.9513543E+01 Gb(Abramov) 0.2793261E-01 Vb(Abramov) -0.2586940E-01 Hb(Abramov) 0.2063208E-02 Ex_ueg -0.6631093E-02 Ec_ueg -0.1300749E-02 Delta_ex -0.7937237E-02 Delta_ec 0.2321036E-02 Delta_et -0.2123282E-01 Pxc 0.5097903E+01 Qxc -0.3419696E+01 3,+1 122 3 -1 -0.857770 -1.978989 -2.994580 Rho 0.1409259E+00 |GRAD(Rho)| 0.5060502E-13 GRAD(Rho)x 0.2505832E-13 GRAD(Rho)y -0.8700126E-14 GRAD(Rho)z -0.4309589E-13 Laplacian 0.5553961E+00 (-1/4)Del**2(Rho)) -0.1388490E+00 Diamond 0.1047549E+01 Metallicity 0.4735089E+01 Ellipticity 0.3532603E-01 Gb(Abramov) 0.2021431E+00 Vb(Abramov) -0.2654372E+00 Hb(Abramov) -0.6329408E-01 Ex_ueg -0.5416341E-01 Ec_ueg -0.7865193E-02 Delta_ex -0.5877603E-01 Delta_ec 0.1437394E-01 Delta_et -0.1897641E+00 Pxc 0.6886469E+01 Qxc -0.4089069E+01 3,-1 123 3 -1 -0.528070 -1.716648 -1.734572 Rho 0.4676312E-01 |GRAD(Rho)| 0.2489465E-12 GRAD(Rho)x -0.3513310E-13 GRAD(Rho)y -0.2349098E-12 GRAD(Rho)z -0.7454797E-13 Laplacian 0.1911631E+00 (-1/4)Del**2(Rho)) -0.4779078E-01 Diamond 0.8754804E-01 Metallicity 0.2188004E+01 Ellipticity 0.1112753E-01 Gb(Abramov) 0.4928825E-01 Vb(Abramov) -0.5078573E-01 Hb(Abramov) -0.1497480E-02 Ex_ueg -0.1244294E-01 Ec_ueg -0.2236748E-02 Delta_ex -0.1542898E-01 Delta_ec 0.5620488E-02 Delta_et -0.5821697E-01 Pxc 0.5562961E+01 Qxc -0.2745132E+01 3,-1 124 3 -1 -0.567447 -1.792710 2.786180 Rho 0.1489784E+00 |GRAD(Rho)| 0.3597494E-15 GRAD(Rho)x -0.5311235E-16 GRAD(Rho)y -0.3401142E-15 GRAD(Rho)z 0.1045035E-15 Laplacian 0.6248705E+00 (-1/4)Del**2(Rho)) -0.1562176E+00 Diamond 0.1251824E+01 Metallicity 0.4617023E+01 Ellipticity 0.1242900E-01 Gb(Abramov) 0.2243551E+00 Vb(Abramov) -0.2924926E+00 Hb(Abramov) -0.6813750E-01 Ex_ueg -0.5832877E-01 Ec_ueg -0.8378149E-02 Delta_ex -0.6695115E-01 Delta_ec 0.1580729E-01 Delta_et -0.2100564E+00 Pxc 0.6962011E+01 Qxc -0.4235461E+01 3,-1 125 3 +1 0.532912 0.539568 1.655148 Rho 0.9039326E-02 |GRAD(Rho)| 0.1354481E-16 GRAD(Rho)x 0.7226998E-17 GRAD(Rho)y -0.2409901E-17 GRAD(Rho)z 0.1119932E-16 Laplacian 0.3509586E-01 (-1/4)Del**2(Rho)) -0.8773965E-02 Diamond 0.9978319E-03 Metallicity 0.7701655E+00 Ellipticity -0.1463492E+01 Gb(Abramov) 0.6975544E-02 Vb(Abramov) -0.5177123E-02 Hb(Abramov) 0.1798421E-02 Ex_ueg -0.1390699E-02 Ec_ueg -0.3246794E-03 Delta_ex -0.1620595E-02 Delta_ec 0.4882916E-03 Delta_et -0.3384859E-02 Pxc 0.4283299E+01 Qxc -0.3318908E+01 3,+1 126 3 +1 0.188593 0.187085 -2.894327 Rho 0.5372639E-02 |GRAD(Rho)| 0.1326326E-16 GRAD(Rho)x 0.6003873E-17 GRAD(Rho)y -0.1181938E-16 GRAD(Rho)z 0.4120922E-18 Laplacian 0.2231331E-01 (-1/4)Del**2(Rho)) -0.5578327E-02 Diamond 0.5249631E-03 Metallicity 0.5089736E+00 Ellipticity -0.2180097E+01 Gb(Abramov) 0.4192089E-02 Vb(Abramov) -0.2805850E-02 Hb(Abramov) 0.1386239E-02 Ex_ueg -0.6949741E-03 Ec_ueg -0.1629841E-03 Delta_ex -0.1084316E-02 Delta_ec 0.6300414E-03 Delta_et -0.3525359E-02 Pxc 0.4264062E+01 Qxc -0.1721024E+01 3,+1 127 3 +3 -0.017960 0.014447 2.317778 Rho 0.4737444E-02 |GRAD(Rho)| 0.4493701E-17 GRAD(Rho)x 0.3203816E-17 GRAD(Rho)y 0.2937404E-17 GRAD(Rho)z -0.1140425E-17 Laplacian 0.1931540E-01 (-1/4)Del**2(Rho)) -0.4828849E-02 Diamond 0.1788449E-03 Metallicity 0.4767417E+00 Ellipticity -0.3301897E+00 Gb(Abramov) 0.3602918E-02 Vb(Abramov) -0.2376987E-02 Hb(Abramov) 0.1225931E-02 Ex_ueg -0.5876389E-03 Ec_ueg -0.1356315E-03 Delta_ex -0.7108764E-03 Delta_ec 0.1805056E-03 Delta_et -0.1138430E-02 Pxc 0.4332613E+01 Qxc -0.3938250E+01 3,+3 128 3 -1 -0.050223 -0.046912 -2.893936 Rho 0.5461839E-02 |GRAD(Rho)| 0.5471957E-17 GRAD(Rho)x 0.4852126E-17 GRAD(Rho)y -0.2443762E-17 GRAD(Rho)z -0.6536184E-18 Laplacian 0.2191166E-01 (-1/4)Del**2(Rho)) -0.5477915E-02 Diamond 0.6526911E-03 Metallicity 0.5327246E+00 Ellipticity 0.3728101E+01 Gb(Abramov) 0.4138313E-02 Vb(Abramov) -0.2798712E-02 Hb(Abramov) 0.1339602E-02 Ex_ueg -0.7104011E-03 Ec_ueg -0.1668414E-03 Delta_ex -0.1172043E-02 Delta_ec 0.8038246E-03 Delta_et -0.4437175E-02 Pxc 0.4257941E+01 Qxc -0.1458083E+01 3,-1 129 3 -1 0.469903 -0.462842 0.470615 Rho 0.1868942E+00 |GRAD(Rho)| 0.2568797E-15 GRAD(Rho)x -0.1561251E-15 GRAD(Rho)y -0.1353084E-15 GRAD(Rho)z 0.1526557E-15 Laplacian 0.5179814E+00 (-1/4)Del**2(Rho)) -0.1294954E+00 Diamond 0.1396247E+01 Metallicity 0.8127532E+01 Ellipticity 0.7706632E-04 Gb(Abramov) 0.2617432E+00 Vb(Abramov) -0.3939910E+00 Hb(Abramov) -0.1322478E+00 Ex_ueg -0.7891862E-01 Ec_ueg -0.1084579E-01 Delta_ex -0.5897932E-01 Delta_ec 0.1280801E-01 Delta_et -0.1762381E+00 Pxc 0.7276426E+01 Qxc -0.4604876E+01 3,-1 130 3 +1 1.397981 1.064268 -2.165535 Rho 0.2773634E-01 |GRAD(Rho)| 0.2549481E-13 GRAD(Rho)x 0.1945174E-13 GRAD(Rho)y -0.1418976E-13 GRAD(Rho)z -0.8382469E-14 Laplacian 0.1115287E+00 (-1/4)Del**2(Rho)) -0.2788219E-01 Diamond 0.1635265E-01 Metallicity 0.1570272E+01 Ellipticity -0.3287782E+01 Gb(Abramov) 0.2588523E-01 Vb(Abramov) -0.2388827E-01 Hb(Abramov) 0.1996960E-02 Ex_ueg -0.6200840E-02 Ec_ueg -0.1227447E-02 Delta_ex -0.7087143E-02 Delta_ec 0.1811982E-02 Delta_et -0.1641509E-01 Pxc 0.5051818E+01 Qxc -0.3911266E+01 3,+1 131 3 -1 0.055056 3.185193 3.217223 Rho 0.2531989E+00 |GRAD(Rho)| 0.2774631E-12 GRAD(Rho)x -0.5398641E-13 GRAD(Rho)y -0.1921485E-12 GRAD(Rho)z -0.1927438E-12 Laplacian 0.9216476E+00 (-1/4)Del**2(Rho)) -0.2304119E+00 Diamond 0.3461630E+01 Metallicity 0.7576777E+01 Ellipticity 0.1270639E-02 Gb(Abramov) 0.4445712E+00 Vb(Abramov) -0.6587305E+00 Hb(Abramov) -0.2141593E+00 Ex_ueg -0.1183044E+00 Ec_ueg -0.1535628E-01 Delta_ex -0.1128523E+00 Delta_ec 0.1990253E-01 Delta_et -0.2754520E+00 Pxc 0.7703972E+01 Qxc -0.5670248E+01 3,-1 132 3 +1 -1.397910 1.064468 2.165483 Rho 0.2773613E-01 |GRAD(Rho)| 0.3195986E-16 GRAD(Rho)x -0.1290938E-16 GRAD(Rho)y -0.2669948E-16 GRAD(Rho)z 0.1191294E-16 Laplacian 0.1115273E+00 (-1/4)Del**2(Rho)) -0.2788182E-01 Diamond 0.1635209E-01 Metallicity 0.1570273E+01 Ellipticity -0.3287665E+01 Gb(Abramov) 0.2588489E-01 Vb(Abramov) -0.2388796E-01 Hb(Abramov) 0.1996929E-02 Ex_ueg -0.6200778E-02 Ec_ueg -0.1227437E-02 Delta_ex -0.7087018E-02 Delta_ec 0.1811928E-02 Delta_et -0.1641458E-01 Pxc 0.5051811E+01 Qxc -0.3911314E+01 3,+1 133 3 -1 0.539397 1.725040 -1.733800 Rho 0.4818943E-01 |GRAD(Rho)| 0.1878063E-15 GRAD(Rho)x 0.1031591E-15 GRAD(Rho)y -0.1258073E-15 GRAD(Rho)z 0.9381864E-16 Laplacian 0.1978059E+00 (-1/4)Del**2(Rho)) -0.4945148E-01 Diamond 0.9451244E-01 Metallicity 0.2223106E+01 Ellipticity 0.1120419E-01 Gb(Abramov) 0.5129030E-01 Vb(Abramov) -0.5312912E-01 Hb(Abramov) -0.1838817E-02 Ex_ueg -0.1295152E-01 Ec_ueg -0.2315039E-02 Delta_ex -0.1609279E-01 Delta_ec 0.5826185E-02 Delta_et -0.6082788E-01 Pxc 0.5594514E+01 Qxc -0.2762150E+01 3,-1 134 3 -1 0.561220 1.795230 2.778034 Rho 0.1403597E+00 |GRAD(Rho)| 0.1783901E-15 GRAD(Rho)x -0.1093553E-15 GRAD(Rho)y 0.1386017E-15 GRAD(Rho)z 0.2557362E-16 Laplacian 0.5923074E+00 (-1/4)Del**2(Rho)) -0.1480769E+00 Diamond 0.1108417E+01 Metallicity 0.4410317E+01 Ellipticity 0.8819685E-02 Gb(Abramov) 0.2075622E+00 Vb(Abramov) -0.2670476E+00 Hb(Abramov) -0.5948536E-01 Ex_ueg -0.5387345E-01 Ec_ueg -0.7829278E-02 Delta_ex -0.6258427E-01 Delta_ec 0.1527894E-01 Delta_et -0.2014533E+00 Pxc 0.6881024E+01 Qxc -0.4096113E+01 3,-1 135 3 -1 0.567375 -1.792881 -2.786057 Rho 0.1489822E+00 |GRAD(Rho)| 0.4347192E-12 GRAD(Rho)x 0.2832413E-12 GRAD(Rho)y 0.3148890E-12 GRAD(Rho)z -0.9797982E-13 Laplacian 0.6248915E+00 (-1/4)Del**2(Rho)) -0.1562229E+00 Diamond 0.1251911E+01 Metallicity 0.4617065E+01 Ellipticity 0.1242651E-01 Gb(Abramov) 0.2243638E+00 Vb(Abramov) -0.2925047E+00 Hb(Abramov) -0.6814090E-01 Ex_ueg -0.5833077E-01 Ec_ueg -0.8378394E-02 Delta_ex -0.6695389E-01 Delta_ec 0.1580783E-01 Delta_et -0.2100645E+00 Pxc 0.6962046E+01 Qxc -0.4235489E+01 3,-1 136 3 +1 1.744074 -1.735479 -1.752226 Rho 0.1228558E-01 |GRAD(Rho)| 0.1744282E-16 GRAD(Rho)x 0.3633024E-17 GRAD(Rho)y 0.1394672E-16 GRAD(Rho)z -0.9825592E-17 Laplacian 0.6219166E-01 (-1/4)Del**2(Rho)) -0.1554791E-01 Diamond 0.2568638E-02 Metallicity 0.7247817E+00 Ellipticity -0.1247006E+01 Gb(Abramov) 0.1224342E-01 Vb(Abramov) -0.8938919E-02 Hb(Abramov) 0.3304498E-02 Ex_ueg -0.2093691E-02 Ec_ueg -0.4727684E-03 Delta_ex -0.3074608E-02 Delta_ec 0.8046980E-03 Delta_et -0.6070599E-02 Pxc 0.4428577E+01 Qxc -0.3820823E+01 3,+1 137 3 -1 0.528020 -1.716571 1.734701 Rho 0.4676192E-01 |GRAD(Rho)| 0.1629375E-13 GRAD(Rho)x -0.5697203E-14 GRAD(Rho)y -0.1071524E-13 GRAD(Rho)z 0.1087251E-13 Laplacian 0.1911572E+00 (-1/4)Del**2(Rho)) -0.4778930E-01 Diamond 0.8754161E-01 Metallicity 0.2187979E+01 Ellipticity 0.1112966E-01 Gb(Abramov) 0.4928653E-01 Vb(Abramov) -0.5078376E-01 Hb(Abramov) -0.1497227E-02 Ex_ueg -0.1244252E-01 Ec_ueg -0.2236682E-02 Delta_ex -0.1542838E-01 Delta_ec 0.5620258E-02 Delta_et -0.5821418E-01 Pxc 0.5562934E+01 Qxc -0.2745137E+01 3,-1 138 3 -1 0.857700 -1.978868 2.994723 Rho 0.1409503E+00 |GRAD(Rho)| 0.4091736E-15 GRAD(Rho)x 0.2586906E-15 GRAD(Rho)y 0.3015708E-15 GRAD(Rho)z 0.9776115E-16 Laplacian 0.5554998E+00 (-1/4)Del**2(Rho)) -0.1388750E+00 Diamond 0.1047964E+01 Metallicity 0.4735571E+01 Ellipticity 0.3534373E-01 Gb(Abramov) 0.2021920E+00 Vb(Abramov) -0.2655091E+00 Hb(Abramov) -0.6331705E-01 Ex_ueg -0.5417591E-01 Ec_ueg -0.7866741E-02 Delta_ex -0.5878952E-01 Delta_ec 0.1437606E-01 Delta_et -0.1897971E+00 Pxc 0.6886703E+01 Qxc -0.4089404E+01 3,-1 139 3 -1 0.845682 -2.979499 1.996322 Rho 0.1355967E+00 |GRAD(Rho)| 0.5648055E-13 GRAD(Rho)x 0.2415003E-13 GRAD(Rho)y 0.2419758E-13 GRAD(Rho)z -0.4495894E-13 Laplacian 0.5346375E+00 (-1/4)Del**2(Rho)) -0.1336594E+00 Diamond 0.9627259E+00 Metallicity 0.4612844E+01 Ellipticity 0.2893242E-01 Gb(Abramov) 0.1918646E+00 Vb(Abramov) -0.2500697E+00 Hb(Abramov) -0.5820518E-01 Ex_ueg -0.5144980E-01 Ec_ueg -0.7527970E-02 Delta_ex -0.5605150E-01 Delta_ec 0.1396582E-01 Delta_et -0.1832855E+00 Pxc 0.6834486E+01 Qxc -0.4013478E+01 3,-1 140 3 +1 1.657244 0.532766 0.531945 Rho 0.9092334E-02 |GRAD(Rho)| 0.7924045E-15 GRAD(Rho)x 0.3431097E-15 GRAD(Rho)y 0.6384300E-15 GRAD(Rho)z -0.3202933E-15 Laplacian 0.3532658E-01 (-1/4)Del**2(Rho)) -0.8831644E-02 Diamond 0.1008823E-02 Metallicity 0.7726282E+00 Ellipticity -0.1461035E+01 Gb(Abramov) 0.7025026E-02 Vb(Abramov) -0.5218407E-02 Hb(Abramov) 0.1806619E-02 Ex_ueg -0.1401583E-02 Ec_ueg -0.3270619E-03 Delta_ex -0.1632170E-02 Delta_ec 0.4888036E-03 Delta_et -0.3395650E-02 Pxc 0.4285375E+01 Qxc -0.3339113E+01 3,+1 141 3 +3 2.318765 -0.002145 -0.019256 Rho 0.4724777E-02 |GRAD(Rho)| 0.3249797E-17 GRAD(Rho)x -0.2343311E-17 GRAD(Rho)y -0.2197573E-17 GRAD(Rho)z -0.4906562E-18 Laplacian 0.1929249E-01 (-1/4)Del**2(Rho)) -0.4823122E-02 Diamond 0.1787327E-03 Metallicity 0.4751825E+00 Ellipticity -0.3123916E+00 Gb(Abramov) 0.3597392E-02 Vb(Abramov) -0.2371662E-02 Hb(Abramov) 0.1225730E-02 Ex_ueg -0.5855449E-03 Ec_ueg -0.1350881E-03 Delta_ex -0.7102963E-03 Delta_ec 0.1816290E-03 Delta_et -0.1142947E-02 Pxc 0.4334540E+01 Qxc -0.3910699E+01 3,+3 142 3 -1 -0.471047 0.481984 0.470157 Rho 0.1884014E+00 |GRAD(Rho)| 0.6367546E-15 GRAD(Rho)x -0.4440892E-15 GRAD(Rho)y -0.6938894E-16 GRAD(Rho)z 0.4510281E-15 Laplacian 0.5247081E+00 (-1/4)Del**2(Rho)) -0.1311770E+00 Diamond 0.1425568E+01 Metallicity 0.8131464E+01 Ellipticity 0.2108236E-02 Gb(Abramov) 0.2652283E+00 Vb(Abramov) -0.3992795E+00 Hb(Abramov) -0.1340512E+00 Ex_ueg -0.7976832E-01 Ec_ueg -0.1094561E-01 Delta_ex -0.5984756E-01 Delta_ec 0.1291386E-01 Delta_et -0.1777443E+00 Pxc 0.7287702E+01 Qxc -0.4634367E+01 3,-1 143 3 -1 1.718535 1.736683 -0.529194 Rho 0.4838876E-01 |GRAD(Rho)| 0.2906925E-14 GRAD(Rho)x 0.2076036E-14 GRAD(Rho)y 0.1914323E-14 GRAD(Rho)z 0.6896779E-15 Laplacian 0.1982220E+00 (-1/4)Del**2(Rho)) -0.4955550E-01 Diamond 0.9527274E-01 Metallicity 0.2233755E+01 Ellipticity 0.1097269E-01 Gb(Abramov) 0.5148614E-01 Vb(Abramov) -0.5341677E-01 Hb(Abramov) -0.1930638E-02 Ex_ueg -0.1302300E-01 Ec_ueg -0.2326006E-02 Delta_ex -0.1614469E-01 Delta_ec 0.5840544E-02 Delta_et -0.6104429E-01 Pxc 0.5598868E+01 Qxc -0.2764245E+01 3,-1 144 3 -1 2.982130 1.999399 -0.853063 Rho 0.1361788E+00 |GRAD(Rho)| 0.2061721E-14 GRAD(Rho)x -0.8917902E-15 GRAD(Rho)y 0.1223902E-14 GRAD(Rho)z 0.1399095E-14 Laplacian 0.5342254E+00 (-1/4)Del**2(Rho)) -0.1335563E+00 Diamond 0.9692181E+00 Metallicity 0.4649481E+01 Ellipticity 0.3099014E-01 Gb(Abramov) 0.1925322E+00 Vb(Abramov) -0.2515080E+00 Hb(Abramov) -0.5897583E-01 Ex_ueg -0.5174452E-01 Ec_ueg -0.7564717E-02 Delta_ex -0.5609220E-01 Delta_ec 0.1398658E-01 Delta_et -0.1837724E+00 Pxc 0.6840245E+01 Qxc -0.4010431E+01 3,-1 145 3 -1 1.825715 -0.556007 -2.773177 Rho 0.1235791E+00 |GRAD(Rho)| 0.2188497E-15 GRAD(Rho)x -0.1597707E-15 GRAD(Rho)y -0.4632254E-16 GRAD(Rho)z -0.1422067E-15 Laplacian 0.5175949E+00 (-1/4)Del**2(Rho)) -0.1293987E+00 Diamond 0.8210234E+00 Metallicity 0.4081922E+01 Ellipticity 0.4548700E-02 Gb(Abramov) 0.1742984E+00 Vb(Abramov) -0.2191981E+00 Hb(Abramov) -0.4489967E-01 Ex_ueg -0.4546162E-01 Ec_ueg -0.6774327E-02 Delta_ex -0.5290265E-01 Delta_ec 0.1353115E-01 Delta_et -0.1744009E+00 Pxc 0.6710870E+01 Qxc -0.3909694E+01 3,-1 146 3 -1 1.730602 -0.531690 1.722752 Rho 0.4731356E-01 |GRAD(Rho)| 0.5778443E-16 GRAD(Rho)x 0.3761038E-16 GRAD(Rho)y 0.1991629E-16 GRAD(Rho)z 0.3908761E-16 Laplacian 0.1938458E+00 (-1/4)Del**2(Rho)) -0.4846146E-01 Diamond 0.9024616E-01 Metallicity 0.2200220E+01 Ellipticity 0.1105001E-01 Gb(Abramov) 0.5007862E-01 Vb(Abramov) -0.5169578E-01 Hb(Abramov) -0.1617159E-02 Ex_ueg -0.1263861E-01 Ec_ueg -0.2266925E-02 Delta_ex -0.1569372E-01 Delta_ec 0.5702645E-02 Delta_et -0.5925065E-01 Pxc 0.5575223E+01 Qxc -0.2752006E+01 3,-1 147 3 -1 2.770458 -1.819016 -0.559374 Rho 0.1365793E+00 |GRAD(Rho)| 0.3722561E-14 GRAD(Rho)x -0.1305806E-14 GRAD(Rho)y -0.2552347E-14 GRAD(Rho)z 0.2374416E-14 Laplacian 0.5727554E+00 (-1/4)Del**2(Rho)) -0.1431889E+00 Diamond 0.1038388E+01 Metallicity 0.4357980E+01 Ellipticity 0.1090943E-01 Gb(Abramov) 0.1994616E+00 Vb(Abramov) -0.2557344E+00 Hb(Abramov) -0.5627275E-01 Ex_ueg -0.5194752E-01 Ec_ueg -0.7590010E-02 Delta_ex -0.6013083E-01 Delta_ec 0.1489595E-01 Delta_et -0.1956339E+00 Pxc 0.6844195E+01 Qxc -0.4036723E+01 3,-1 148 3 -1 2.987199 -1.995628 0.851765 Rho 0.1418234E+00 |GRAD(Rho)| 0.1452502E-13 GRAD(Rho)x -0.6654169E-14 GRAD(Rho)y -0.7804955E-14 GRAD(Rho)z -0.1028499E-13 Laplacian 0.5589075E+00 (-1/4)Del**2(Rho)) -0.1397269E+00 Diamond 0.1062184E+01 Metallicity 0.4755391E+01 Ellipticity 0.3501654E-01 Gb(Abramov) 0.2038939E+00 Vb(Abramov) -0.2680609E+00 Hb(Abramov) -0.6416702E-01 Ex_ueg -0.5462383E-01 Ec_ueg -0.7922164E-02 Delta_ex -0.5923858E-01 Delta_ec 0.1444134E-01 Delta_et -0.1908333E+00 Pxc 0.6895064E+01 Qxc -0.4102014E+01 3,-1 149 3 -1 1.749545 0.537538 -1.728029 Rho 0.4214606E-01 |GRAD(Rho)| 0.4911249E-16 GRAD(Rho)x -0.4126342E-16 GRAD(Rho)y 0.6421357E-17 GRAD(Rho)z -0.2584827E-16 Laplacian 0.1790534E+00 (-1/4)Del**2(Rho)) -0.4476334E-01 Diamond 0.7352840E-01 Metallicity 0.1964381E+01 Ellipticity 0.9037517E-02 Gb(Abramov) 0.4449760E-01 Vb(Abramov) -0.4423186E-01 Hb(Abramov) 0.2657381E-03 Ex_ueg -0.1083248E-01 Ec_ueg -0.1985573E-02 Delta_ex -0.1420683E-01 Delta_ec 0.5494108E-02 Delta_et -0.5539706E-01 Pxc 0.5455592E+01 Qxc -0.2585830E+01 3,-1 150 3 -1 1.812085 0.560160 2.766719 Rho 0.1414444E+00 |GRAD(Rho)| 0.3669356E-15 GRAD(Rho)x -0.9181837E-16 GRAD(Rho)y 0.3548052E-15 GRAD(Rho)z 0.1801131E-16 Laplacian 0.5965576E+00 (-1/4)Del**2(Rho)) -0.1491394E+00 Diamond 0.1126776E+01 Metallicity 0.4435445E+01 Ellipticity 0.7832763E-02 Gb(Abramov) 0.2096762E+00 Vb(Abramov) -0.2702130E+00 Hb(Abramov) -0.6053682E-01 Ex_ueg -0.5442932E-01 Ec_ueg -0.7898105E-02 Delta_ex -0.6315211E-01 Delta_ec 0.1536033E-01 Delta_et -0.2027612E+00 Pxc 0.6891441E+01 Qxc -0.4111378E+01 3,-1 151 3 -1 1.721824 -1.733103 0.537835 Rho 0.4663661E-01 |GRAD(Rho)| 0.2538947E-15 GRAD(Rho)x 0.2191482E-15 GRAD(Rho)y -0.1123263E-15 GRAD(Rho)z -0.6180122E-16 Laplacian 0.1910103E+00 (-1/4)Del**2(Rho)) -0.4775257E-01 Diamond 0.8709435E-01 Metallicity 0.2179890E+01 Ellipticity 0.1225490E-01 Gb(Abramov) 0.4918428E-01 Vb(Abramov) -0.5061598E-01 Hb(Abramov) -0.1431705E-02 Ex_ueg -0.1239808E-01 Ec_ueg -0.2229819E-02 Delta_ex -0.1540323E-01 Delta_ec 0.5610867E-02 Delta_et -0.5807474E-01 Pxc 0.5560127E+01 Qxc -0.2745249E+01 3,-1 152 3 -1 2.007505 0.843857 -2.985510 Rho 0.1247287E+00 |GRAD(Rho)| 0.1308547E-15 GRAD(Rho)x 0.1244596E-15 GRAD(Rho)y 0.4119968E-17 GRAD(Rho)z 0.4019680E-16 Laplacian 0.4865211E+00 (-1/4)Del**2(Rho)) -0.1216303E+00 Diamond 0.7837903E+00 Metallicity 0.4410169E+01 Ellipticity 0.3976338E-01 Gb(Abramov) 0.1704885E+00 Vb(Abramov) -0.2193468E+00 Hb(Abramov) -0.4885826E-01 Ex_ueg -0.4602637E-01 Ec_ueg -0.6846002E-02 Delta_ex -0.4988106E-01 Delta_ec 0.1276863E-01 Delta_et -0.1649642E+00 Pxc 0.6723103E+01 Qxc -0.3906531E+01 3,-1 153 3 +1 2.167711 1.094723 -1.366426 Rho 0.2809947E-01 |GRAD(Rho)| 0.5270101E-14 GRAD(Rho)x 0.2747345E-14 GRAD(Rho)y -0.2411694E-14 GRAD(Rho)z -0.3796023E-14 Laplacian 0.1140494E+00 (-1/4)Del**2(Rho)) -0.2851235E-01 Diamond 0.1787117E-01 Metallicity 0.1569220E+01 Ellipticity -0.4235294E+01 Gb(Abramov) 0.2646526E-01 Vb(Abramov) -0.2441816E-01 Hb(Abramov) 0.2047093E-02 Ex_ueg -0.6309321E-02 Ec_ueg -0.1245999E-02 Delta_ex -0.7351526E-02 Delta_ec 0.1993350E-02 Delta_et -0.1809254E-01 Pxc 0.5063664E+01 Qxc -0.3688026E+01 3,+1 154 3 -1 3.002190 0.855127 -1.991396 Rho 0.1362845E+00 |GRAD(Rho)| 0.8281326E-13 GRAD(Rho)x -0.4941659E-13 GRAD(Rho)y -0.2006303E-13 GRAD(Rho)z -0.6335228E-13 Laplacian 0.5340385E+00 (-1/4)Del**2(Rho)) -0.1335096E+00 Diamond 0.9557519E+00 Metallicity 0.4657124E+01 Ellipticity 0.5437096E-01 Gb(Abramov) 0.1926349E+00 Vb(Abramov) -0.2517602E+00 Hb(Abramov) -0.5912527E-01 Ex_ueg -0.5179806E-01 Ec_ueg -0.7571390E-02 Delta_ex -0.5592429E-01 Delta_ec 0.1369551E-01 Delta_et -0.1794066E+00 Pxc 0.6841288E+01 Qxc -0.4083403E+01 3,-1 155 3 +1 2.891634 -0.157191 0.138934 Rho 0.5420644E-02 |GRAD(Rho)| 0.5603651E-15 GRAD(Rho)x 0.2315726E-16 GRAD(Rho)y -0.3862719E-15 GRAD(Rho)z 0.4052984E-15 Laplacian 0.2221274E-01 (-1/4)Del**2(Rho)) -0.5553185E-02 Diamond 0.5710635E-03 Metallicity 0.5189146E+00 Ellipticity -0.3420907E+01 Gb(Abramov) 0.4182394E-02 Vb(Abramov) -0.2811604E-02 Hb(Abramov) 0.1370790E-02 Ex_ueg -0.7032659E-03 Ec_ueg -0.1650595E-03 Delta_ex -0.1116536E-02 Delta_ec 0.6899780E-03 Delta_et -0.3842890E-02 Pxc 0.4260681E+01 Qxc -0.1618219E+01 3,+1 156 3 -1 1.999059 -0.854090 2.984025 Rho 0.1421078E+00 |GRAD(Rho)| 0.3031386E-13 GRAD(Rho)x 0.9473000E-14 GRAD(Rho)y -0.2874788E-13 GRAD(Rho)z 0.1658938E-14 Laplacian 0.5602025E+00 (-1/4)Del**2(Rho)) -0.1400506E+00 Diamond 0.1067294E+01 Metallicity 0.4760268E+01 Ellipticity 0.3548568E-01 Gb(Abramov) 0.2044802E+00 Vb(Abramov) -0.2689097E+00 Hb(Abramov) -0.6442954E-01 Ex_ueg -0.5476995E-01 Ec_ueg -0.7940230E-02 Delta_ex -0.5940574E-01 Delta_ec 0.1446933E-01 Delta_et -0.1912638E+00 Pxc 0.6897778E+01 Qxc -0.4105632E+01 3,-1 157 3 -1 1.979824 2.994822 -0.857687 Rho 0.1413913E+00 |GRAD(Rho)| 0.3710514E-12 GRAD(Rho)x -0.3509444E-12 GRAD(Rho)y -0.1503770E-13 GRAD(Rho)z 0.1195453E-12 Laplacian 0.5576735E+00 (-1/4)Del**2(Rho)) -0.1394184E+00 Diamond 0.1056259E+01 Metallicity 0.4741740E+01 Ellipticity 0.3713129E-01 Gb(Abramov) 0.2031265E+00 Vb(Abramov) -0.2668347E+00 Hb(Abramov) -0.6370815E-01 Ex_ueg -0.5440206E-01 Ec_ueg -0.7894732E-02 Delta_ex -0.5906706E-01 Delta_ec 0.1442592E-01 Delta_et -0.1905545E+00 Pxc 0.6890932E+01 Qxc -0.4094509E+01 3,-1 158 3 +1 2.888720 0.178187 -0.198775 Rho 0.5363982E-02 |GRAD(Rho)| 0.9588092E-17 GRAD(Rho)x -0.6072243E-18 GRAD(Rho)y 0.3333307E-17 GRAD(Rho)z 0.8969495E-17 Laplacian 0.2231258E-01 (-1/4)Del**2(Rho)) -0.5578146E-02 Diamond 0.5318266E-03 Metallicity 0.5076240E+00 Ellipticity -0.2286464E+01 Gb(Abramov) 0.4190698E-02 Vb(Abramov) -0.2803249E-02 Hb(Abramov) 0.1387449E-02 Ex_ueg -0.6934814E-03 Ec_ueg -0.1626099E-03 Delta_ex -0.1090707E-02 Delta_ec 0.6421259E-03 Delta_et -0.3585848E-02 Pxc 0.4264693E+01 Qxc -0.1698588E+01 3,+1 159 3 -1 3.188790 -3.219347 -0.055707 Rho 0.2535590E+00 |GRAD(Rho)| 0.1069239E-13 GRAD(Rho)x -0.7487067E-14 GRAD(Rho)y 0.7379514E-14 GRAD(Rho)z 0.1952919E-14 Laplacian 0.9197407E+00 (-1/4)Del**2(Rho)) -0.2299352E+00 Diamond 0.3462777E+01 Metallicity 0.7610493E+01 Ellipticity 0.1285013E-02 Gb(Abramov) 0.4449435E+00 Vb(Abramov) -0.6599517E+00 Hb(Abramov) -0.2150083E+00 Ex_ueg -0.1185288E+00 Ec_ueg -0.1538144E-01 Delta_ex -0.1126727E+00 Delta_ec 0.1987384E-01 Delta_et -0.2751617E+00 Pxc 0.7705961E+01 Qxc -0.5669400E+01 3,-1 160 3 -1 0.471091 0.481929 -0.470177 Rho 0.1884012E+00 |GRAD(Rho)| 0.4802000E-12 GRAD(Rho)x -0.2991253E-12 GRAD(Rho)y -0.2694268E-12 GRAD(Rho)z 0.2617732E-12 Laplacian 0.5247080E+00 (-1/4)Del**2(Rho)) -0.1311770E+00 Diamond 0.1425567E+01 Metallicity 0.8131454E+01 Ellipticity 0.2108337E-02 Gb(Abramov) 0.2652279E+00 Vb(Abramov) -0.3992789E+00 Hb(Abramov) -0.1340509E+00 Ex_ueg -0.7976821E-01 Ec_ueg -0.1094559E-01 Delta_ex -0.5984753E-01 Delta_ec 0.1291387E-01 Delta_et -0.1777445E+00 Pxc 0.7287701E+01 Qxc -0.4634361E+01 3,-1 161 3 -1 2.766946 1.806506 0.557593 Rho 0.1413287E+00 |GRAD(Rho)| 0.3320351E-15 GRAD(Rho)x 0.3762182E-16 GRAD(Rho)y -0.2357191E-15 GRAD(Rho)z 0.2307995E-15 Laplacian 0.5954845E+00 (-1/4)Del**2(Rho)) -0.1488711E+00 Diamond 0.1123564E+01 Metallicity 0.4437378E+01 Ellipticity 0.7549474E-02 Gb(Abramov) 0.2093470E+00 Vb(Abramov) -0.2698229E+00 Hb(Abramov) -0.6047587E-01 Ex_ueg -0.5436992E-01 Ec_ueg -0.7890755E-02 Delta_ex -0.6302506E-01 Delta_ec 0.1533423E-01 Delta_et -0.2023888E+00 Pxc 0.6890332E+01 Qxc -0.4110089E+01 3,-1 162 3 -1 2.995519 -0.855489 1.976535 Rho 0.1413091E+00 |GRAD(Rho)| 0.6351125E-13 GRAD(Rho)x 0.2488138E-13 GRAD(Rho)y 0.2957473E-13 GRAD(Rho)z 0.5039773E-13 Laplacian 0.5570951E+00 (-1/4)Del**2(Rho)) -0.1392738E+00 Diamond 0.1054194E+01 Metallicity 0.4742064E+01 Ellipticity 0.3500976E-01 Gb(Abramov) 0.2029234E+00 Vb(Abramov) -0.2665730E+00 Hb(Abramov) -0.6364960E-01 Ex_ueg -0.5435989E-01 Ec_ueg -0.7889514E-02 Delta_ex -0.5899493E-01 Delta_ec 0.1440852E-01 Delta_et -0.1902986E+00 Pxc 0.6890145E+01 Qxc -0.4094448E+01 3,-1 163 3 -1 3.183484 3.210805 0.069806 Rho 0.2531368E+00 |GRAD(Rho)| 0.9284137E-14 GRAD(Rho)x -0.3305299E-14 GRAD(Rho)y 0.5376342E-14 GRAD(Rho)z 0.6809196E-14 Laplacian 0.9215184E+00 (-1/4)Del**2(Rho)) -0.2303796E+00 Diamond 0.3459936E+01 Metallicity 0.7574744E+01 Ellipticity 0.1235961E-02 Gb(Abramov) 0.4444308E+00 Vb(Abramov) -0.6584820E+00 Hb(Abramov) -0.2140512E+00 Ex_ueg -0.1182657E+00 Ec_ueg -0.1535195E-01 Delta_ex -0.1128283E+00 Delta_ec 0.1989957E-01 Delta_et -0.2754022E+00 Pxc 0.7703629E+01 Qxc -0.5669884E+01 3,-1 164 3 -1 1.790724 2.778391 0.567317 Rho 0.1459216E+00 |GRAD(Rho)| 0.1702620E-13 GRAD(Rho)x -0.3054414E-14 GRAD(Rho)y -0.8249898E-15 GRAD(Rho)z -0.1672966E-13 Laplacian 0.6152914E+00 (-1/4)Del**2(Rho)) -0.1538228E+00 Diamond 0.1203727E+01 Metallicity 0.4529652E+01 Ellipticity 0.9145459E-02 Gb(Abramov) 0.2186759E+00 Vb(Abramov) -0.2835289E+00 Hb(Abramov) -0.6485305E-01 Ex_ueg -0.5673849E-01 Ec_ueg -0.8182949E-02 Delta_ex -0.6560469E-01 Delta_ec 0.1567109E-01 Delta_et -0.2076969E+00 Pxc 0.6933745E+01 Qxc -0.4186351E+01 3,-1 165 3 -1 -2.995597 -0.855500 -1.976463 Rho 0.1413404E+00 |GRAD(Rho)| 0.3336536E-15 GRAD(Rho)x 0.1267500E-15 GRAD(Rho)y 0.1977856E-15 GRAD(Rho)z -0.2369388E-15 Laplacian 0.5572203E+00 (-1/4)Del**2(Rho)) -0.1393051E+00 Diamond 0.1054712E+01 Metallicity 0.4742747E+01 Ellipticity 0.3503463E-01 Gb(Abramov) 0.2029848E+00 Vb(Abramov) -0.2666646E+00 Hb(Abramov) -0.6367977E-01 Ex_ueg -0.5437593E-01 Ec_ueg -0.7891499E-02 Delta_ex -0.5901137E-01 Delta_ec 0.1441099E-01 Delta_et -0.1903376E+00 Pxc 0.6890444E+01 Qxc -0.4094887E+01 3,-1 166 3 -1 -2.766900 1.806619 -0.557736 Rho 0.1413465E+00 |GRAD(Rho)| 0.1196163E-12 GRAD(Rho)x 0.1800175E-13 GRAD(Rho)y 0.9056667E-13 GRAD(Rho)z 0.7603738E-13 Laplacian 0.5955613E+00 (-1/4)Del**2(Rho)) -0.1488903E+00 Diamond 0.1123873E+01 Metallicity 0.4437738E+01 Ellipticity 0.7550261E-02 Gb(Abramov) 0.2093829E+00 Vb(Abramov) -0.2698755E+00 Hb(Abramov) -0.6049261E-01 Ex_ueg -0.5437906E-01 Ec_ueg -0.7891886E-02 Delta_ex -0.6303506E-01 Delta_ec 0.1533563E-01 Delta_et -0.2024108E+00 Pxc 0.6890503E+01 Qxc -0.4110368E+01 3,-1 167 3 -1 -2.788461 -0.567329 1.809266 Rho 0.1351301E+00 |GRAD(Rho)| 0.1190838E-15 GRAD(Rho)x 0.6386290E-16 GRAD(Rho)y 0.9782214E-16 GRAD(Rho)z 0.2309351E-16 Laplacian 0.5696660E+00 (-1/4)Del**2(Rho)) -0.1424165E+00 Diamond 0.1002469E+01 Metallicity 0.4304407E+01 Ellipticity 0.1618332E-01 Gb(Abramov) 0.1971141E+00 Vb(Abramov) -0.2518117E+00 Hb(Abramov) -0.5469758E-01 Ex_ueg -0.5121392E-01 Ec_ueg -0.7498536E-02 Delta_ex -0.5945544E-01 Delta_ec 0.1450287E-01 Delta_et -0.1894627E+00 Pxc 0.6829856E+01 Qxc -0.4099564E+01 3,-1 168 3 -1 -1.718454 1.736801 0.529070 Rho 0.4838363E-01 |GRAD(Rho)| 0.3690853E-16 GRAD(Rho)x 0.2416670E-16 GRAD(Rho)y -0.2664850E-16 GRAD(Rho)z -0.8250313E-17 Laplacian 0.1981959E+00 (-1/4)Del**2(Rho)) -0.4954896E-01 Diamond 0.9524545E-01 Metallicity 0.2233655E+01 Ellipticity 0.1096869E-01 Gb(Abramov) 0.5147852E-01 Vb(Abramov) -0.5340808E-01 Hb(Abramov) -0.1929557E-02 Ex_ueg -0.1302116E-01 Ec_ueg -0.2325724E-02 Delta_ex -0.1614209E-01 Delta_ec 0.5839698E-02 Delta_et -0.6103373E-01 Pxc 0.5598756E+01 Qxc -0.2764199E+01 3,-1 169 3 -1 -1.797729 -2.779599 0.561754 Rho 0.1409671E+00 |GRAD(Rho)| 0.1597316E-14 GRAD(Rho)x -0.1162509E-14 GRAD(Rho)y 0.1371787E-15 GRAD(Rho)z -0.1086818E-14 Laplacian 0.5947484E+00 (-1/4)Del**2(Rho)) -0.1486871E+00 Diamond 0.1118310E+01 Metallicity 0.4423945E+01 Ellipticity 0.9332704E-02 Gb(Abramov) 0.2087553E+00 Vb(Abramov) -0.2688236E+00 Hb(Abramov) -0.6006823E-01 Ex_ueg -0.5418457E-01 Ec_ueg -0.7867813E-02 Delta_ex -0.6290334E-01 Delta_ec 0.1531678E-01 Delta_et -0.2020642E+00 Pxc 0.6886865E+01 Qxc -0.4106825E+01 3,-1 170 3 -1 -1.790592 2.778465 -0.567482 Rho 0.1459315E+00 |GRAD(Rho)| 0.8313115E-16 GRAD(Rho)x -0.4550939E-16 GRAD(Rho)y 0.5466412E-16 GRAD(Rho)z 0.4302927E-16 Laplacian 0.6153336E+00 (-1/4)Del**2(Rho)) -0.1538334E+00 Diamond 0.1203905E+01 Metallicity 0.4529854E+01 Ellipticity 0.9144417E-02 Gb(Abramov) 0.2186961E+00 Vb(Abramov) -0.2835587E+00 Hb(Abramov) -0.6486267E-01 Ex_ueg -0.5674362E-01 Ec_ueg -0.8183581E-02 Delta_ex -0.6561026E-01 Delta_ec 0.1567187E-01 Delta_et -0.2077091E+00 Pxc 0.6933838E+01 Qxc -0.4186499E+01 3,-1 171 3 -1 -0.565077 -2.764432 1.813503 Rho 0.1403507E+00 |GRAD(Rho)| 0.9222086E-15 GRAD(Rho)x 0.6905555E-15 GRAD(Rho)y 0.5512490E-16 GRAD(Rho)z 0.6087389E-15 Laplacian 0.5918246E+00 (-1/4)Del**2(Rho)) -0.1479561E+00 Diamond 0.1108351E+01 Metallicity 0.4413448E+01 Ellipticity 0.7734363E-02 Gb(Abramov) 0.2074702E+00 Vb(Abramov) -0.2669843E+00 Hb(Abramov) -0.5951407E-01 Ex_ueg -0.5386888E-01 Ec_ueg -0.7828712E-02 Delta_ex -0.6254231E-01 Delta_ec 0.1528463E-01 Delta_et -0.2015639E+00 Pxc 0.6880938E+01 Qxc -0.4091843E+01 3,-1 172 3 -1 -0.551442 2.766889 -1.812461 Rho 0.1349877E+00 |GRAD(Rho)| 0.2602400E-15 GRAD(Rho)x -0.2514129E-15 GRAD(Rho)y -0.5356636E-17 GRAD(Rho)z -0.6699014E-16 Laplacian 0.5683234E+00 (-1/4)Del**2(Rho)) -0.1420809E+00 Diamond 0.1015775E+01 Metallicity 0.4306996E+01 Ellipticity 0.9144004E-02 Gb(Abramov) 0.1967108E+00 Vb(Abramov) -0.2513408E+00 Hb(Abramov) -0.5462999E-01 Ex_ueg -0.5114194E-01 Ec_ueg -0.7489550E-02 Delta_ex -0.5949426E-01 Delta_ec 0.1481909E-01 Delta_et -0.1942622E+00 Pxc 0.6828440E+01 Qxc -0.4014705E+01 3,-1 173 3 -1 0.070562 -3.183807 -3.216355 Rho 0.2533866E+00 |GRAD(Rho)| 0.1661245E-10 GRAD(Rho)x 0.3007958E-11 GRAD(Rho)y -0.1155366E-10 GRAD(Rho)z -0.1155157E-10 Laplacian 0.9191564E+00 (-1/4)Del**2(Rho)) -0.2297891E+00 Diamond 0.3457884E+01 Metallicity 0.7606704E+01 Ellipticity 0.1631838E-02 Gb(Abramov) 0.4445157E+00 Vb(Abramov) -0.6592422E+00 Hb(Abramov) -0.2147266E+00 Ex_ueg -0.1184213E+00 Ec_ueg -0.1536940E-01 Delta_ex -0.1125817E+00 Delta_ec 0.1986658E-01 Delta_et -0.2750641E+00 Pxc 0.7705009E+01 Qxc -0.5666889E+01 3,-1 174 3 -1 -0.070643 -3.183642 3.216571 Rho 0.2533818E+00 |GRAD(Rho)| 0.4727387E-15 GRAD(Rho)x -0.2005774E-17 GRAD(Rho)y 0.8684459E-16 GRAD(Rho)z 0.4646891E-15 Laplacian 0.9191359E+00 (-1/4)Del**2(Rho)) -0.2297840E+00 Diamond 0.3457714E+01 Metallicity 0.7606633E+01 Ellipticity 0.1633573E-02 Gb(Abramov) 0.4445031E+00 Vb(Abramov) -0.6592221E+00 Hb(Abramov) -0.2147191E+00 Ex_ueg -0.1184183E+00 Ec_ueg -0.1536906E-01 Delta_ex -0.1125786E+00 Delta_ec 0.1986613E-01 Delta_et -0.2750572E+00 Pxc 0.7704983E+01 Qxc -0.5666859E+01 3,-1 175 3 -1 0.564957 -2.764527 -1.813296 Rho 0.1403753E+00 |GRAD(Rho)| 0.4506156E-15 GRAD(Rho)x -0.3175493E-15 GRAD(Rho)y 0.8678361E-16 GRAD(Rho)z -0.3077101E-15 Laplacian 0.5919311E+00 (-1/4)Del**2(Rho)) -0.1479828E+00 Diamond 0.1108778E+01 Metallicity 0.4413940E+01 Ellipticity 0.7731002E-02 Gb(Abramov) 0.2075197E+00 Vb(Abramov) -0.2670566E+00 Hb(Abramov) -0.5953692E-01 Ex_ueg -0.5388144E-01 Ec_ueg -0.7830269E-02 Delta_ex -0.6255618E-01 Delta_ec 0.1528664E-01 Delta_et -0.2015955E+00 Pxc 0.6881174E+01 Qxc -0.4092213E+01 3,-1 176 3 -1 0.859801 2.984358 -2.000487 Rho 0.1411948E+00 |GRAD(Rho)| 0.3050606E-15 GRAD(Rho)x -0.2053343E-15 GRAD(Rho)y 0.6682751E-16 GRAD(Rho)z -0.2154852E-15 Laplacian 0.5556553E+00 (-1/4)Del**2(Rho)) -0.1389138E+00 Diamond 0.1051630E+01 Metallicity 0.4747941E+01 Ellipticity 0.3433245E-01 Gb(Abramov) 0.2025350E+00 Vb(Abramov) -0.2661562E+00 Hb(Abramov) -0.6362117E-01 Ex_ueg -0.5430125E-01 Ec_ueg -0.7882256E-02 Delta_ex -0.5884362E-01 Delta_ec 0.1439691E-01 Delta_et -0.1901701E+00 Pxc 0.6889049E+01 Qxc -0.4087239E+01 3,-1 177 3 -1 0.551559 2.766965 1.812312 Rho 0.1349965E+00 |GRAD(Rho)| 0.4442297E-13 GRAD(Rho)x 0.2715113E-14 GRAD(Rho)y -0.2305145E-13 GRAD(Rho)z -0.3787689E-13 Laplacian 0.5683697E+00 (-1/4)Del**2(Rho)) -0.1420924E+00 Diamond 0.1015937E+01 Metallicity 0.4307113E+01 Ellipticity 0.9140767E-02 Gb(Abramov) 0.1967296E+00 Vb(Abramov) -0.2513669E+00 Hb(Abramov) -0.5463722E-01 Ex_ueg -0.5114639E-01 Ec_ueg -0.7490105E-02 Delta_ex -0.5950004E-01 Delta_ec 0.1482006E-01 Delta_et -0.1942769E+00 Pxc 0.6828527E+01 Qxc -0.4014832E+01 3,-1 178 3 -1 1.797611 -2.779661 -0.561546 Rho 0.1409464E+00 |GRAD(Rho)| 0.3850147E-15 GRAD(Rho)x -0.3738871E-15 GRAD(Rho)y -0.2775558E-16 GRAD(Rho)z 0.8760354E-16 Laplacian 0.5946609E+00 (-1/4)Del**2(Rho)) -0.1486652E+00 Diamond 0.1117959E+01 Metallicity 0.4423511E+01 Ellipticity 0.9327092E-02 Gb(Abramov) 0.2087139E+00 Vb(Abramov) -0.2687625E+00 Hb(Abramov) -0.6004864E-01 Ex_ueg -0.5417394E-01 Ec_ueg -0.7866496E-02 Delta_ex -0.6289194E-01 Delta_ec 0.1531530E-01 Delta_et -0.2020406E+00 Pxc 0.6886666E+01 Qxc -0.4106478E+01 3,-1 179 3 -1 1.979250 -2.996942 0.861030 Rho 0.1468995E+00 |GRAD(Rho)| 0.4151017E-12 GRAD(Rho)x 0.2374774E-12 GRAD(Rho)y 0.2638665E-12 GRAD(Rho)z 0.2151474E-12 Laplacian 0.5795787E+00 (-1/4)Del**2(Rho)) -0.1448947E+00 Diamond 0.1147970E+01 Metallicity 0.4862594E+01 Ellipticity 0.4021240E-01 Gb(Abramov) 0.2140238E+00 Vb(Abramov) -0.2831529E+00 Hb(Abramov) -0.6912911E-01 Ex_ueg -0.5724605E-01 Ec_ueg -0.8245335E-02 Delta_ex -0.6194913E-01 Delta_ec 0.1482818E-01 Delta_et -0.1969168E+00 Pxc 0.6942842E+01 Qxc -0.4177796E+01 3,-1 180 3 -1 2.788454 -0.567589 -1.809265 Rho 0.1351308E+00 |GRAD(Rho)| 0.2411820E-15 GRAD(Rho)x -0.1645514E-15 GRAD(Rho)y -0.7377996E-16 GRAD(Rho)z 0.1601502E-15 Laplacian 0.5696719E+00 (-1/4)Del**2(Rho)) -0.1424180E+00 Diamond 0.1002485E+01 Metallicity 0.4304399E+01 Ellipticity 0.1618406E-01 Gb(Abramov) 0.1971159E+00 Vb(Abramov) -0.2518139E+00 Hb(Abramov) -0.5469797E-01 Ex_ueg -0.5121427E-01 Ec_ueg -0.7498580E-02 Delta_ex -0.5945614E-01 Delta_ec 0.1450301E-01 Delta_et -0.1894647E+00 Pxc 0.6829863E+01 Qxc -0.4099573E+01 3,-1 181 3 -1 2.895266 -0.037096 0.018008 Rho 0.5435823E-02 |GRAD(Rho)| 0.2027704E-15 GRAD(Rho)x -0.1399154E-15 GRAD(Rho)y -0.5030924E-16 GRAD(Rho)z 0.1378713E-15 Laplacian 0.2180543E-01 (-1/4)Del**2(Rho)) -0.5451358E-02 Diamond 0.6514811E-03 Metallicity 0.5310768E+00 Ellipticity 0.3170925E+01 Gb(Abramov) 0.4116754E-02 Vb(Abramov) -0.2782149E-02 Hb(Abramov) 0.1334604E-02 Ex_ueg -0.7058929E-03 Ec_ueg -0.1657160E-03 Delta_ex -0.1170406E-02 Delta_ec 0.8089861E-03 Delta_et -0.4456073E-02 Pxc 0.4259655E+01 Qxc -0.1446757E+01 3,-1 182 3 -1 3.223513 -0.066459 -3.186078 Rho 0.2429131E+00 |GRAD(Rho)| 0.9936448E-15 GRAD(Rho)x 0.6832642E-15 GRAD(Rho)y -0.2891025E-15 GRAD(Rho)z -0.6609839E-15 Laplacian 0.8634541E+00 (-1/4)Del**2(Rho)) -0.2158635E+00 Diamond 0.3116685E+01 Metallicity 0.7547308E+01 Ellipticity 0.3821147E-03 Gb(Abramov) 0.4154405E+00 Vb(Abramov) -0.6150174E+00 Hb(Abramov) -0.1995769E+00 Ex_ueg -0.1119403E+00 Ec_ueg -0.1464072E-01 Delta_ex -0.1047477E+00 Delta_ec 0.1917654E-01 Delta_et -0.2664966E+00 Pxc 0.7645816E+01 Qxc -0.5462284E+01 3,-1 183 3 -1 3.212943 0.065673 3.187721 Rho 0.2536039E+00 |GRAD(Rho)| 0.4961363E-10 GRAD(Rho)x -0.3465925E-10 GRAD(Rho)y -0.9296876E-11 GRAD(Rho)z -0.3426101E-10 Laplacian 0.9206896E+00 (-1/4)Del**2(Rho)) -0.2301724E+00 Diamond 0.3465525E+01 Metallicity 0.7604894E+01 Ellipticity 0.1103436E-02 Gb(Abramov) 0.4451877E+00 Vb(Abramov) -0.6602030E+00 Hb(Abramov) -0.2150153E+00 Ex_ueg -0.1185568E+00 Ec_ueg -0.1538458E-01 Delta_ex -0.1127865E+00 Delta_ec 0.1987945E-01 Delta_et -0.2751745E+00 Pxc 0.7706208E+01 Qxc -0.5673520E+01 3,-1 184 3 -1 2.778894 0.560723 1.791212 Rho 0.1404019E+00 |GRAD(Rho)| 0.2367226E-13 GRAD(Rho)x -0.3010491E-14 GRAD(Rho)y -0.1549586E-13 GRAD(Rho)z 0.1764061E-13 Laplacian 0.5910679E+00 (-1/4)Del**2(Rho)) -0.1477670E+00 Diamond 0.1105995E+01 Metallicity 0.4421785E+01 Ellipticity 0.8068960E-02 Gb(Abramov) 0.2074103E+00 Vb(Abramov) -0.2670536E+00 Hb(Abramov) -0.5964330E-01 Ex_ueg -0.5389509E-01 Ec_ueg -0.7831959E-02 Delta_ex -0.6245241E-01 Delta_ec 0.1523608E-01 Delta_et -0.2008768E+00 Pxc 0.6881431E+01 Qxc -0.4098982E+01 3,-1 185 3 -1 -0.054967 3.184974 -3.217434 Rho 0.2531935E+00 |GRAD(Rho)| 0.3404317E-15 GRAD(Rho)x -0.6564844E-16 GRAD(Rho)y 0.3194060E-15 GRAD(Rho)z -0.9779504E-16 Laplacian 0.9216204E+00 (-1/4)Del**2(Rho)) -0.2304051E+00 Diamond 0.3461428E+01 Metallicity 0.7576734E+01 Ellipticity 0.1270128E-02 Gb(Abramov) 0.4445564E+00 Vb(Abramov) -0.6587077E+00 Hb(Abramov) -0.2141513E+00 Ex_ueg -0.1183010E+00 Ec_ueg -0.1535591E-01 Delta_ex -0.1128483E+00 Delta_ec 0.1990196E-01 Delta_et -0.2754436E+00 Pxc 0.7703942E+01 Qxc -0.5670208E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 137 124 171 138 139 174 123 135 175 122 99 173 133 117 172 107 176 185 106 134 177 120 108 131 151 147 178 148 179 159 143 161 164 144 157 163 168 166 170 68 94 57 84 71 169 66 79 65 54 77 87 165 93 58 63 167 95 64 62 61 146 184 150 162 156 183 149 180 145 154 152 182 129 111 160 142 59 181 128 110 105 91 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 18 21 22 25 26 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 20 23 24 27 28 2.395243 1.915040 1.937756 1.948203 1.963673 1.723373 2.395232 1.915028 1.937686 1.948273 1.963678 1.723365 2.381846 1.937407 1.953395 1.927710 1.947820 1.723574 2.381813 1.937489 1.953367 1.927717 1.947748 1.723565 2.395968 1.949177 1.935848 1.945733 1.931672 1.723093 2.380611 1.935177 1.922583 1.962971 1.947040 1.723677 2.380659 1.935127 1.922556 1.962981 1.947102 1.723683 2.395975 1.949183 1.935791 1.945809 1.931672 1.723093 2.390319 1.937790 1.934772 1.947047 1.944947 1.723027 2.417071 1.928557 1.965190 1.938001 1.974400 1.712317 2.390301 1.937734 1.934687 1.947136 1.944999 1.723031 2.417072 1.928555 1.965190 1.938003 1.974402 1.712316 1.695709 1.695706 1.692304 1.692304 3.259284 3.259319 3.258367 3.258376 3.250289 3.263108 2.396967 1.915496 1.938136 1.948890 1.964364 1.723377 2.396960 1.915486 1.938067 1.948960 1.964369 1.723370 2.383603 1.937817 1.953790 1.928377 1.948492 1.723578 2.383572 1.937900 1.953764 1.928384 1.948420 1.723571 2.397695 1.949603 1.936260 1.946415 1.932347 1.723096 2.382343 1.935576 1.922994 1.963646 1.947727 1.723681 2.382353 1.935526 1.922968 1.963657 1.947791 1.723688 2.397731 1.949611 1.936203 1.946490 1.932346 1.723096 2.392036 1.938201 1.935175 1.947738 1.945626 1.723030 2.418634 1.929093 1.965726 1.938830 1.975268 1.712332 2.392014 1.938145 1.935089 1.947827 1.945676 1.723037 2.418635 1.929089 1.965727 1.938829 1.975268 1.712331 1.695712 1.695708 1.692307 1.692307 3.269080 3.269119 3.270252 3.270272 3.259238 3.272028 30 27 27 28 26 22 30 27 27 27 28 25 30 28 28 28 29 22 32 28 29 28 27 25 27 28 28 29 27 21 31 27 26 27 25 23 27 25 27 26 28 22 30 27 27 27 28 23 30 27 27 25 27 22 31 25 29 26 28 23 31 28 26 25 25 23 31 28 28 26 25 24 23 25 23 23 35 35 35 35 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W W W W W W W W W Mo W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 2.5293 2.5293 2.5194 2.5194 2.5287 2.5205 2.5205 2.5287 2.5327 2.4003 2.5327 2.4003 -1.1414 -1.1414 -1.1386 -1.1386 -0.9159 -0.9159 -0.9496 -0.9496 -0.9192 -0.9501 -0.9501 -0.9192 -0.9505 -0.9480 -0.9505 -0.9480 -0.9437 -0.9437 -0.9041 -0.9041 -0.9449 -0.9074 -0.9074 -0.9449 -0.9449 -0.9413 -0.9449 -0.9413 -0.7338 -0.7338 -0.7331 -0.7331 -0.7327 -0.7336 -0.7336 -0.7327 -0.7326 -0.6528 -0.7326 -0.6528 2.5745 2.0774 2.0774 2.0805 2.0805 2.0778 2.0810 2.0810 2.0778 2.0790 1.9459 2.0790 1.9459 1.9355 1.9355 1.9370 1.9370 1.9391 1.9391 1.9344 1.9344 1.9383 1.9342 1.9342 1.9383 1.9344 1.9348 1.9344 1.9348 1.9478 1.9478 1.9509 1.9509 1.9478 1.9500 1.9500 1.9478 1.9479 1.9492 1.9479 1.9492 1.9751 1.9751 1.9752 1.9752 1.9752 1.9753 1.9753 1.9752 1.9752 1.9872 1.9752 1.9872 0.7976 6.0756 6.0756 6.0817 6.0817 6.0754 6.0817 6.0817 6.0754 6.0759 6.0456 6.0759 6.0456 5.1657 5.1657 5.1614 5.1614 4.9488 4.9488 4.9849 4.9849 4.9526 4.9857 4.9857 4.9526 4.9859 4.9830 4.9860 4.9830 4.9631 4.9630 4.9227 4.9227 4.9642 4.9268 4.9268 4.9642 4.9643 4.9592 4.9643 4.9592 4.7201 4.7201 4.7194 4.7194 4.7189 4.7198 4.7198 4.7189 4.7188 4.6291 4.7188 4.6291 1.0834 3.2888 3.2888 3.2895 3.2895 3.2892 3.2879 3.2879 3.2892 3.2835 3.6082 3.2835 3.6082 0.0402 0.0402 0.0403 0.0403 0.0280 0.0280 0.0302 0.0302 0.0283 0.0302 0.0302 0.0283 0.0301 0.0303 0.0301 0.0303 0.0329 0.0329 0.0305 0.0305 0.0329 0.0306 0.0306 0.0329 0.0327 0.0329 0.0327 0.0329 0.0385 0.0385 0.0385 0.0385 0.0386 0.0385 0.0385 0.0386 0.0386 0.0366 0.0386 0.0366 10.5446 14.0289 14.0289 14.0289 14.0289 14.0288 14.0289 14.0289 14.0288 14.0289 0.0000 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W W W W W W W W W Mo W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 2.522124 2.522127 2.523490 2.523496 2.522800 2.523037 2.523032 2.522794 2.524435 3.181521 2.524434 3.181521 -1.100621 -1.100622 -1.137488 -1.137488 -1.055161 -1.055156 -0.940898 -0.940900 -1.046871 -0.940614 -0.940617 -1.046875 -0.941408 -0.938097 -0.941406 -0.938101 -0.908767 -0.908763 -1.018235 -1.018238 -0.909121 -1.010032 -1.010034 -0.909122 -0.909305 -0.905969 -0.909304 -0.905969 -0.756959 -0.756961 -0.755921 -0.755920 -0.755722 -0.756365 -0.756369 -0.755717 -0.755943 -0.919130 -0.755950 -0.919126 2.330455 1.952776 1.952781 1.952088 1.952098 1.953471 1.951325 1.951319 1.953466 1.947964 2.373333 1.947961 2.373335 -0.772968 -0.772972 -0.821507 -0.821507 -0.806441 -0.806438 -0.703879 -0.703866 -0.806346 -0.702732 -0.702711 -0.806348 -0.705338 -0.702303 -0.705328 -0.702286 -0.736121 -0.736099 -0.824735 -0.824737 -0.736247 -0.823773 -0.823775 -0.736263 -0.740575 -0.735681 -0.740573 -0.735694 -0.638052 -0.638055 -0.635146 -0.635147 -0.636858 -0.635584 -0.635586 -0.636854 -0.639745 -0.675236 -0.639751 -0.675230 1.696573 2.050245 2.050249 2.048296 2.048304 2.051265 2.047727 2.047719 2.051260 2.044309 2.454162 2.044306 2.454163 -0.821818 -0.821821 -0.855199 -0.855203 -0.883927 -0.883925 -0.781874 -0.781867 -0.880709 -0.781818 -0.781811 -0.880717 -0.784149 -0.782701 -0.784147 -0.782694 -0.767112 -0.767095 -0.859411 -0.859416 -0.767854 -0.856990 -0.856989 -0.767863 -0.772698 -0.773862 -0.772695 -0.773867 -0.606352 -0.606356 -0.600161 -0.600160 -0.604928 -0.599965 -0.599966 -0.604922 -0.607822 -0.636683 -0.607828 -0.636677 1.660048 0.00021390 -0.18023177 -0.00054275 0.18023271 3.17001365 0.00076258 -7.60445313 -5.43033427 0.00000693 2.26032062 -406.1583 414.8472 -73.4085 -381.9412 -10.2933 -456.9541 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:08 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.71865891 -16.78404010 -16.78817033 -16.79005723 -16.79061637 -16.79159367 -16.79177314 -16.79204362 -16.79223167 -16.79244601 -16.79255624 -16.79262144 -16.79267550 -16.79272144 -16.79275507 GEOMETRY CONVERGED