ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.53 0.04 0.99 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 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.04 1.39 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 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:51 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.17 0.04 1.68 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 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:03 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.26 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 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:16 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:21 Hydrogen (TZP) c11-54 c11-54 c11-54 c11-54 c11-54 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 2.03 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 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:16 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:21 Nodes: 1 Procs: 1 Jun10-2024 15:29:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:34 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 1746.0611999999976 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-0.1367449E+01 Gb(Abramov) 0.6354431E-02 Vb(Abramov) -0.4620620E-02 Hb(Abramov) 0.1733811E-02 Ex_ueg -0.1226218E-02 Ec_ueg -0.2882338E-03 Delta_ex -0.1443216E-02 Delta_ec 0.4226926E-03 Delta_et -0.2882919E-02 Pxc 0.4254247E+01 Qxc -0.3414341E+01 3,+1 48 3 +1 -1.244808 1.310017 -2.542215 Rho 0.1343458E-01 |GRAD(Rho)| 0.1494460E-16 GRAD(Rho)x -0.1094273E-16 GRAD(Rho)y 0.1683459E-17 GRAD(Rho)z 0.1003811E-16 Laplacian 0.6214406E-01 (-1/4)Del**2(Rho)) -0.1553602E-01 Diamond 0.2912201E-02 Metallicity 0.8418872E+00 Ellipticity -0.1385065E+01 Gb(Abramov) 0.1253727E-01 Vb(Abramov) -0.9538529E-02 Hb(Abramov) 0.2998743E-02 Ex_ueg -0.2358761E-02 Ec_ueg -0.5261929E-03 Delta_ex -0.3148564E-02 Delta_ec 0.8086662E-03 Delta_et -0.6231028E-02 Pxc 0.4482693E+01 Qxc -0.3893527E+01 3,+1 49 3 -1 -1.677034 -0.135619 1.646382 Rho 0.6339065E-02 |GRAD(Rho)| 0.9323350E-15 GRAD(Rho)x -0.1998638E-15 GRAD(Rho)y 0.9050228E-15 GRAD(Rho)z 0.1011768E-15 Laplacian 0.2212182E-01 (-1/4)Del**2(Rho)) -0.5530454E-02 Diamond 0.6924882E-03 Metallicity 0.6763442E+00 Ellipticity 0.7183448E+00 Gb(Abramov) 0.4310384E-02 Vb(Abramov) -0.3090315E-02 Hb(Abramov) 0.1220070E-02 Ex_ueg -0.8664670E-03 Ec_ueg -0.2049857E-03 Delta_ex -0.1140563E-02 Delta_ec 0.6755634E-03 Delta_et -0.3947399E-02 Pxc 0.4226963E+01 Qxc -0.1688314E+01 3,-1 50 3 -1 -1.759142 -0.005000 -1.544874 Rho 0.7835423E-02 |GRAD(Rho)| 0.2227399E-16 GRAD(Rho)x 0.1013445E-16 GRAD(Rho)y -0.1071869E-16 GRAD(Rho)z 0.1668931E-16 Laplacian 0.2869346E-01 (-1/4)Del**2(Rho)) -0.7173365E-02 Diamond 0.1308629E-02 Metallicity 0.7423369E+00 Ellipticity 0.2992913E+00 Gb(Abramov) 0.5669752E-02 Vb(Abramov) -0.4166139E-02 Hb(Abramov) 0.1503613E-02 Ex_ueg -0.1149392E-02 Ec_ueg -0.2709018E-03 Delta_ex -0.1602937E-02 Delta_ec 0.9795830E-03 Delta_et -0.6056136E-02 Pxc 0.4242839E+01 Qxc -0.1636346E+01 3,-1 51 3 -1 -1.997963 0.769769 2.506872 Rho 0.2784384E-01 |GRAD(Rho)| 0.9907102E-17 GRAD(Rho)x 0.3251294E-17 GRAD(Rho)y 0.1511855E-17 GRAD(Rho)z 0.9235478E-17 Laplacian 0.9170285E-01 (-1/4)Del**2(Rho)) -0.2292571E-01 Diamond 0.3027892E-01 Metallicity 0.1922112E+01 Ellipticity 0.1589238E-01 Gb(Abramov) 0.2262811E-01 Vb(Abramov) -0.2233050E-01 Hb(Abramov) 0.2976046E-03 Ex_ueg -0.6232905E-02 Ec_ueg -0.1232936E-02 Delta_ex -0.7410188E-02 Delta_ec 0.4305089E-02 Delta_et -0.3859167E-01 Pxc 0.5055336E+01 Qxc -0.1721262E+01 3,-1 52 3 -1 -2.057852 1.175259 -2.260084 Rho 0.3615843E-01 |GRAD(Rho)| 0.6588148E-16 GRAD(Rho)x -0.2951172E-16 GRAD(Rho)y -0.5617880E-16 GRAD(Rho)z 0.1770226E-16 Laplacian 0.1111867E+00 (-1/4)Del**2(Rho)) -0.2779667E-01 Diamond 0.5356985E-01 Metallicity 0.2450433E+01 Ellipticity 0.1231370E-01 Gb(Abramov) 0.2988343E-01 Vb(Abramov) -0.3197019E-01 Hb(Abramov) -0.2086757E-02 Ex_ueg -0.8830753E-02 Ec_ueg -0.1665426E-02 Delta_ex -0.9591285E-02 Delta_ec 0.5370358E-02 Delta_et -0.5203375E-01 Pxc 0.5302398E+01 Qxc -0.1785967E+01 3,-1 53 3 +1 -1.880434 0.578321 -1.375655 Rho 0.6771651E-02 |GRAD(Rho)| 0.1228665E-13 GRAD(Rho)x 0.1621032E-14 GRAD(Rho)y 0.1311242E-14 GRAD(Rho)z -0.1210845E-13 Laplacian 0.2395483E-01 (-1/4)Del**2(Rho)) -0.5988707E-02 Diamond 0.5432881E-03 Metallicity 0.6972326E+00 Ellipticity -0.1707837E+01 Gb(Abramov) 0.4688392E-02 Vb(Abramov) -0.3388076E-02 Hb(Abramov) 0.1300315E-02 Ex_ueg -0.9461887E-03 Ec_ueg -0.2239332E-03 Delta_ex -0.1080487E-02 Delta_ec 0.4258164E-03 Delta_et -0.2659066E-02 Pxc 0.4225318E+01 Qxc -0.2537447E+01 3,+1 54 3 -1 -1.912356 0.936044 -0.929479 Rho 0.7799181E-02 |GRAD(Rho)| 0.1175338E-15 GRAD(Rho)x 0.9124296E-16 GRAD(Rho)y -0.4992798E-16 GRAD(Rho)z 0.5473668E-16 Laplacian 0.2814683E-01 (-1/4)Del**2(Rho)) -0.7036708E-02 Diamond 0.1275415E-02 Metallicity 0.7509286E+00 Ellipticity 0.4368058E+00 Gb(Abramov) 0.5571816E-02 Vb(Abramov) -0.4106924E-02 Hb(Abramov) 0.1464892E-02 Ex_ueg -0.1142309E-02 Ec_ueg -0.2692929E-03 Delta_ex -0.1570791E-02 Delta_ec 0.9606570E-03 Delta_et -0.5930962E-02 Pxc 0.4241883E+01 Qxc -0.1635122E+01 3,-1 55 3 +1 -1.408355 1.081620 0.908477 Rho 0.7828510E-02 |GRAD(Rho)| 0.5034228E-14 GRAD(Rho)x 0.4216531E-14 GRAD(Rho)y 0.1584493E-15 GRAD(Rho)z -0.2745762E-14 Laplacian 0.2865382E-01 (-1/4)Del**2(Rho)) -0.7163455E-02 Diamond 0.8101340E-03 Metallicity 0.7422711E+00 Ellipticity -0.1814567E+01 Gb(Abramov) 0.5661841E-02 Vb(Abramov) -0.4160227E-02 Hb(Abramov) 0.1501614E-02 Ex_ueg -0.1148041E-02 Ec_ueg -0.2705948E-03 Delta_ex -0.1347555E-02 Delta_ec 0.5267277E-03 Delta_et -0.3410858E-02 Pxc 0.4242655E+01 Qxc -0.2558352E+01 3,+1 56 3 -1 -1.937848 0.807634 1.039917 Rho 0.8919245E-02 |GRAD(Rho)| 0.1911769E-16 GRAD(Rho)x -0.4902131E-18 GRAD(Rho)y 0.1751926E-16 GRAD(Rho)z 0.7636853E-17 Laplacian 0.3253227E-01 (-1/4)Del**2(Rho)) -0.8133068E-02 Diamond 0.1791075E-02 Metallicity 0.8125417E+00 Ellipticity 0.1975424E+00 Gb(Abramov) 0.6523454E-02 Vb(Abramov) -0.4913841E-02 Hb(Abramov) 0.1609613E-02 Ex_ueg -0.1366121E-02 Ec_ueg -0.3192866E-03 Delta_ex -0.1876037E-02 Delta_ec 0.1129162E-02 Delta_et -0.7251171E-02 Pxc 0.4278668E+01 Qxc -0.1661442E+01 3,-1 57 3 -1 1.281914 2.052043 -0.053851 Rho 0.3185976E-01 |GRAD(Rho)| 0.3866695E-14 GRAD(Rho)x 0.1405469E-14 GRAD(Rho)y 0.3118028E-14 GRAD(Rho)z 0.1803854E-14 Laplacian 0.1246687E+00 (-1/4)Del**2(Rho)) -0.3116717E-01 Diamond 0.3421631E-01 Metallicity 0.1769810E+01 Ellipticity 0.7288756E-01 Gb(Abramov) 0.2997144E-01 Vb(Abramov) -0.2877571E-01 Hb(Abramov) 0.1195730E-02 Ex_ueg -0.7459476E-02 Ec_ueg -0.1439929E-02 Delta_ex -0.9176065E-02 Delta_ec 0.3721501E-02 Delta_et -0.3475585E-01 Pxc 0.5180448E+01 Qxc -0.2465689E+01 3,-1 58 3 +1 -1.508376 1.079032 -0.865725 Rho 0.7427715E-02 |GRAD(Rho)| 0.9848360E-17 GRAD(Rho)x 0.4910958E-17 GRAD(Rho)y 0.2342486E-17 GRAD(Rho)z 0.8208864E-17 Laplacian 0.2668015E-01 (-1/4)Del**2(Rho)) -0.6670037E-02 Diamond 0.7648505E-03 Metallicity 0.7303263E+00 Ellipticity -0.2126423E+01 Gb(Abramov) 0.5258575E-02 Vb(Abramov) -0.3847114E-02 Hb(Abramov) 0.1411462E-02 Ex_ueg -0.1070349E-02 Ec_ueg -0.2528381E-03 Delta_ex -0.1273364E-02 Delta_ec 0.5514825E-03 Delta_et -0.3480448E-02 Pxc 0.4233336E+01 Qxc -0.2308983E+01 3,+1 59 3 +3 -0.947174 0.758117 -1.618723 Rho 0.4910498E-02 |GRAD(Rho)| 0.1823126E-13 GRAD(Rho)x 0.8237767E-14 GRAD(Rho)y -0.1623265E-13 GRAD(Rho)z 0.1009610E-14 Laplacian 0.1849947E-01 (-1/4)Del**2(Rho)) -0.4624866E-02 Diamond 0.1417018E-03 Metallicity 0.5284411E+00 Ellipticity -0.3439112E+00 Gb(Abramov) 0.3490572E-02 Vb(Abramov) -0.2356279E-02 Hb(Abramov) 0.1134294E-02 Ex_ueg -0.6164329E-03 Ec_ueg -0.1430632E-03 Delta_ex -0.6508544E-03 Delta_ec 0.1081049E-03 Delta_et -0.7761101E-03 Pxc 0.4308815E+01 Qxc -0.6020581E+01 3,+3 60 3 +1 1.588416 -0.507610 -2.163075 Rho 0.2117229E-01 |GRAD(Rho)| 0.2274469E-13 GRAD(Rho)x 0.2256273E-13 GRAD(Rho)y -0.2652296E-14 GRAD(Rho)z 0.1099726E-14 Laplacian 0.7842619E-01 (-1/4)Del**2(Rho)) -0.1960655E-01 Diamond 0.6893170E-02 Metallicity 0.1423743E+01 Ellipticity -0.2124725E+01 Gb(Abramov) 0.1772348E-01 Vb(Abramov) -0.1584041E-01 Hb(Abramov) 0.1883068E-02 Ex_ueg -0.4325889E-02 Ec_ueg -0.8979962E-03 Delta_ex -0.4495201E-02 Delta_ec 0.1023981E-02 Delta_et -0.8778533E-02 Pxc 0.4817269E+01 Qxc -0.4389925E+01 3,+1 61 3 +1 -1.247243 -0.112642 -1.613717 Rho 0.7205679E-02 |GRAD(Rho)| 0.1507033E-15 GRAD(Rho)x 0.1387525E-15 GRAD(Rho)y -0.3995912E-16 GRAD(Rho)z 0.4315683E-16 Laplacian 0.2641973E-01 (-1/4)Del**2(Rho)) -0.6604932E-02 Diamond 0.7033191E-03 Metallicity 0.7011480E+00 Ellipticity -0.1888352E+01 Gb(Abramov) 0.5175127E-02 Vb(Abramov) -0.3745322E-02 Hb(Abramov) 0.1429805E-02 Ex_ueg -0.1027902E-02 Ec_ueg -0.2430331E-03 Delta_ex -0.1238712E-02 Delta_ec 0.5220806E-03 Delta_et -0.3280826E-02 Pxc 0.4229472E+01 Qxc -0.2372644E+01 3,+1 62 3 +1 1.247913 -0.404259 2.461351 Rho 0.2019382E-01 |GRAD(Rho)| 0.5587948E-15 GRAD(Rho)x 0.2625356E-15 GRAD(Rho)y -0.4725700E-15 GRAD(Rho)z -0.1414366E-15 Laplacian 0.7627823E-01 (-1/4)Del**2(Rho)) -0.1906956E-01 Diamond 0.8201558E-02 Metallicity 0.1352831E+01 Ellipticity -0.5586746E+01 Gb(Abramov) 0.1701268E-01 Vb(Abramov) -0.1495581E-01 Hb(Abramov) 0.2056872E-02 Ex_ueg -0.4061406E-02 Ec_ueg -0.8499164E-03 Delta_ex -0.4593217E-02 Delta_ec 0.1491220E-02 Delta_et -0.1241117E-01 Pxc 0.4778594E+01 Qxc -0.3080174E+01 3,+1 63 3 +1 1.396261 0.697277 -0.896690 Rho 0.5742068E-02 |GRAD(Rho)| 0.1347080E-13 GRAD(Rho)x -0.6542320E-14 GRAD(Rho)y -0.1092576E-13 GRAD(Rho)z -0.4391845E-14 Laplacian 0.2218885E-01 (-1/4)Del**2(Rho)) -0.5547212E-02 Diamond 0.3621802E-03 Metallicity 0.5718194E+00 Ellipticity -0.1360673E+01 Gb(Abramov) 0.4226809E-02 Vb(Abramov) -0.2906405E-02 Hb(Abramov) 0.1320403E-02 Ex_ueg -0.7594097E-03 Ec_ueg -0.1789855E-03 Delta_ex -0.9317676E-03 Delta_ec 0.3387595E-03 Delta_et -0.2060645E-02 Pxc 0.4242857E+01 Qxc -0.2750528E+01 3,+1 64 3 -1 -1.141211 -0.229690 0.007860 Rho 0.2068433E+00 |GRAD(Rho)| 0.1844036E-15 GRAD(Rho)x -0.1804112E-15 GRAD(Rho)y 0.3816392E-16 GRAD(Rho)z 0.2710505E-19 Laplacian 0.5977885E+00 (-1/4)Del**2(Rho)) -0.1494471E+00 Diamond 0.1708717E+01 Metallicity 0.8339398E+01 Ellipticity 0.2129206E-02 Gb(Abramov) 0.3073479E+00 Vb(Abramov) -0.4652487E+00 Hb(Abramov) -0.1579008E+00 Ex_ueg -0.9034560E-01 Ec_ueg -0.1217728E-01 Delta_ex -0.6911274E-01 Delta_ec 0.1309431E-01 Delta_et -0.1774518E+00 Pxc 0.7419195E+01 Qxc -0.5278073E+01 3,-1 65 3 +1 -1.424413 -0.169532 1.660977 Rho 0.6274994E-02 |GRAD(Rho)| 0.1476346E-15 GRAD(Rho)x 0.1311600E-15 GRAD(Rho)y -0.2457205E-16 GRAD(Rho)z -0.6316038E-16 Laplacian 0.2224462E-01 (-1/4)Del**2(Rho)) -0.5561156E-02 Diamond 0.5562021E-03 Metallicity 0.6613179E+00 Ellipticity -0.2610229E+01 Gb(Abramov) 0.4320386E-02 Vb(Abramov) -0.3079616E-02 Hb(Abramov) 0.1240770E-02 Ex_ueg -0.8548098E-03 Ec_ueg -0.2021870E-03 Delta_ex -0.1054915E-02 Delta_ec 0.5192857E-03 Delta_et -0.3089667E-02 Pxc 0.4227818E+01 Qxc -0.2031474E+01 3,+1 66 3 -1 -0.999728 -0.156489 3.435699 Rho 0.2092203E+00 |GRAD(Rho)| 0.3389798E-15 GRAD(Rho)x 0.3176170E-15 GRAD(Rho)y 0.9290257E-17 GRAD(Rho)z -0.1180696E-15 Laplacian 0.7981642E+00 (-1/4)Del**2(Rho)) -0.1995410E+00 Diamond 0.2375187E+01 Metallicity 0.6365913E+01 Ellipticity 0.1614701E-01 Gb(Abramov) 0.3447375E+00 Vb(Abramov) -0.4899340E+00 Hb(Abramov) -0.1451965E+00 Ex_ueg -0.9173256E-01 Ec_ueg -0.1233741E-01 Delta_ex -0.9294979E-01 Delta_ec 0.1813572E-01 Delta_et -0.2486727E+00 Pxc 0.7435317E+01 Qxc -0.5125233E+01 3,-1 67 3 +3 1.137851 1.056758 -1.565800 Rho 0.4041396E-02 |GRAD(Rho)| 0.6680138E-16 GRAD(Rho)x 0.4787072E-17 GRAD(Rho)y -0.6661102E-16 GRAD(Rho)z -0.1575129E-17 Laplacian 0.1639897E-01 (-1/4)Del**2(Rho)) -0.4099742E-02 Diamond 0.1069023E-03 Metallicity 0.4308727E+00 Ellipticity -0.2540273E+00 Gb(Abramov) 0.3027572E-02 Vb(Abramov) -0.1955403E-02 Hb(Abramov) 0.1072169E-02 Ex_ueg -0.4754377E-03 Ec_ueg -0.1058963E-03 Delta_ex -0.5605533E-03 Delta_ec 0.1191261E-03 Delta_et -0.7703127E-03 Pxc 0.4489653E+01 Qxc -0.4705548E+01 3,+3 68 3 +3 -0.982142 0.663107 1.692040 Rho 0.4812780E-02 |GRAD(Rho)| 0.9066247E-17 GRAD(Rho)x 0.3690053E-19 GRAD(Rho)y -0.5435566E-17 GRAD(Rho)z -0.7256038E-17 Laplacian 0.1789477E-01 (-1/4)Del**2(Rho)) -0.4473693E-02 Diamond 0.1346632E-03 Metallicity 0.5282998E+00 Ellipticity -0.5081168E+00 Gb(Abramov) 0.3376370E-02 Vb(Abramov) -0.2279048E-02 Hb(Abramov) 0.1097322E-02 Ex_ueg -0.6001315E-03 Ec_ueg -0.1388649E-03 Delta_ex -0.6274363E-03 Delta_ec 0.1068447E-03 Delta_et -0.7590080E-03 Pxc 0.4321694E+01 Qxc -0.5872414E+01 3,+3 69 3 +1 1.337877 0.656121 0.871720 Rho 0.6416867E-02 |GRAD(Rho)| 0.9613366E-17 GRAD(Rho)x 0.8055484E-17 GRAD(Rho)y 0.5074485E-17 GRAD(Rho)z 0.1332513E-17 Laplacian 0.2529904E-01 (-1/4)Del**2(Rho)) -0.6324759E-02 Diamond 0.4793381E-03 Metallicity 0.6035513E+00 Ellipticity -0.1379073E+01 Gb(Abramov) 0.4852726E-02 Vb(Abramov) -0.3380692E-02 Hb(Abramov) 0.1472034E-02 Ex_ueg -0.8806752E-03 Ec_ueg -0.2083868E-03 Delta_ex -0.1090727E-02 Delta_ec 0.3853926E-03 Delta_et -0.2415725E-02 Pxc 0.4226156E+01 Qxc -0.2830171E+01 3,+1 70 3 +1 1.501131 1.241772 2.230146 Rho 0.5306946E-02 |GRAD(Rho)| 0.9272854E-17 GRAD(Rho)x -0.7604947E-17 GRAD(Rho)y 0.2614388E-18 GRAD(Rho)z 0.5299270E-17 Laplacian 0.2199795E-01 (-1/4)Del**2(Rho)) -0.5499487E-02 Diamond 0.5325636E-03 Metallicity 0.5057922E+00 Ellipticity -0.2427649E+01 Gb(Abramov) 0.4129924E-02 Vb(Abramov) -0.2760361E-02 Hb(Abramov) 0.1369563E-02 Ex_ueg -0.6836670E-03 Ec_ueg -0.1601458E-03 Delta_ex -0.1086507E-02 Delta_ec 0.6571508E-03 Delta_et -0.3647541E-02 Pxc 0.4269030E+01 Qxc -0.1653360E+01 3,+1 71 3 -1 -1.492236 2.601703 -1.716954 Rho 0.2061088E+00 |GRAD(Rho)| 0.2917170E-14 GRAD(Rho)x 0.9442859E-15 GRAD(Rho)y -0.2748073E-14 GRAD(Rho)z -0.2574836E-15 Laplacian 0.7966425E+00 (-1/4)Del**2(Rho)) -0.1991606E+00 Diamond 0.2322644E+01 Metallicity 0.6220766E+01 Ellipticity 0.1836009E-01 Gb(Abramov) 0.3392624E+00 Vb(Abramov) -0.4793641E+00 Hb(Abramov) -0.1401017E+00 Ex_ueg -0.8991809E-01 Ec_ueg -0.1212786E-01 Delta_ex -0.9237855E-01 Delta_ec 0.1811101E-01 Delta_et -0.2478452E+00 Pxc 0.7414177E+01 Qxc -0.5100684E+01 3,-1 72 3 -1 -0.151163 2.302995 0.858500 Rho 0.4998760E-01 |GRAD(Rho)| 0.8112554E-16 GRAD(Rho)x -0.1350001E-16 GRAD(Rho)y 0.7184491E-16 GRAD(Rho)z 0.3517685E-16 Laplacian 0.1917892E+00 (-1/4)Del**2(Rho)) -0.4794731E-01 Diamond 0.9552607E-01 Metallicity 0.2437209E+01 Ellipticity 0.1767696E-01 Gb(Abramov) 0.5144114E-01 Vb(Abramov) -0.5493497E-01 Hb(Abramov) -0.3493829E-02 Ex_ueg -0.1359987E-01 Ec_ueg -0.2414188E-02 Delta_ex -0.1571390E-01 Delta_ec 0.5586452E-02 Delta_et -0.5886778E-01 Pxc 0.5633309E+01 Qxc -0.2812859E+01 3,-1 73 3 -1 -1.339465 2.605881 1.766861 Rho 0.1341542E+00 |GRAD(Rho)| 0.1189489E-12 GRAD(Rho)x 0.7600928E-13 GRAD(Rho)y -0.8404522E-13 GRAD(Rho)z 0.3616394E-13 Laplacian 0.5134037E+00 (-1/4)Del**2(Rho)) -0.1283509E+00 Diamond 0.9235052E+00 Metallicity 0.4718762E+01 Ellipticity 0.1115224E+00 Gb(Abramov) 0.1865102E+00 Vb(Abramov) -0.2446695E+00 Hb(Abramov) -0.5815928E-01 Ex_ueg -0.5072136E-01 Ec_ueg -0.7437009E-02 Delta_ex -0.5381123E-01 Delta_ec 0.1366899E-01 Delta_et -0.1795225E+00 Pxc 0.6820129E+01 Qxc -0.3936739E+01 3,-1 74 3 +1 -1.274404 1.152441 2.624272 Rho 0.1245822E-01 |GRAD(Rho)| 0.5300753E-16 GRAD(Rho)x 0.5252346E-16 GRAD(Rho)y 0.3510875E-17 GRAD(Rho)z 0.6225559E-17 Laplacian 0.5616891E-01 (-1/4)Del**2(Rho)) -0.1404223E-01 Diamond 0.2356603E-02 Metallicity 0.8213795E+00 Ellipticity -0.1373893E+01 Gb(Abramov) 0.1128382E-01 Vb(Abramov) -0.8525408E-02 Hb(Abramov) 0.2758409E-02 Ex_ueg -0.2133011E-02 Ec_ueg -0.4807632E-03 Delta_ex -0.2784892E-02 Delta_ec 0.7227794E-03 Delta_et -0.5474189E-02 Pxc 0.4436719E+01 Qxc -0.3853032E+01 3,+1 75 3 -1 0.674715 -3.111080 0.868775 Rho 0.1329145E+00 |GRAD(Rho)| 0.1609597E-12 GRAD(Rho)x -0.4115616E-13 GRAD(Rho)y 0.1939047E-13 GRAD(Rho)z 0.1543963E-12 Laplacian 0.5481933E+00 (-1/4)Del**2(Rho)) -0.1370483E+00 Diamond 0.9695747E+00 Metallicity 0.4351445E+01 Ellipticity 0.5331391E-02 Gb(Abramov) 0.1907586E+00 Vb(Abramov) -0.2444689E+00 Hb(Abramov) -0.5371028E-01 Ex_ueg -0.5009738E-01 Ec_ueg -0.7358941E-02 Delta_ex -0.5726406E-01 Delta_ec 0.1451112E-01 Delta_et -0.1900753E+00 Pxc 0.6807689E+01 Qxc -0.3946218E+01 3,-1 76 3 -1 -0.586634 -3.089186 -1.717852 Rho 0.2222307E+00 |GRAD(Rho)| 0.5189084E-15 GRAD(Rho)x -0.5171644E-15 GRAD(Rho)y -0.1860762E-16 GRAD(Rho)z 0.3821813E-16 Laplacian 0.8482004E+00 (-1/4)Del**2(Rho)) -0.2120501E+00 Diamond 0.2716936E+01 Metallicity 0.6624016E+01 Ellipticity 0.1002387E-01 Gb(Abramov) 0.3754706E+00 Vb(Abramov) -0.5388912E+00 Hb(Abramov) -0.1634205E+00 Ex_ueg -0.9941619E-01 Ec_ueg -0.1321943E-01 Delta_ex -0.1003459E+00 Delta_ec 0.1897551E-01 Delta_et -0.2612069E+00 Pxc 0.7520461E+01 Qxc -0.5288180E+01 3,-1 77 3 +3 1.093706 1.044657 1.603100 Rho 0.4159117E-02 |GRAD(Rho)| 0.2442646E-17 GRAD(Rho)x 0.1233866E-17 GRAD(Rho)y 0.1987416E-17 GRAD(Rho)z -0.7030445E-18 Laplacian 0.1700774E-01 (-1/4)Del**2(Rho)) -0.4251936E-02 Diamond 0.1216376E-03 Metallicity 0.4358146E+00 Ellipticity -0.2931105E+00 Gb(Abramov) 0.3143466E-02 Vb(Abramov) -0.2034997E-02 Hb(Abramov) 0.1108469E-02 Ex_ueg -0.4939921E-03 Ec_ueg -0.1109076E-03 Delta_ex -0.5932826E-03 Delta_ec 0.1370207E-03 Delta_et -0.8677674E-03 Pxc 0.4454086E+01 Qxc -0.4329875E+01 3,+3 78 3 -1 -0.789157 3.804029 -2.247628 Rho 0.2173137E+00 |GRAD(Rho)| 0.1617523E-13 GRAD(Rho)x -0.9705073E-14 GRAD(Rho)y -0.1211959E-13 GRAD(Rho)z 0.4534892E-14 Laplacian 0.8052401E+00 (-1/4)Del**2(Rho)) -0.2013100E+00 Diamond 0.2528453E+01 Metallicity 0.6722016E+01 Ellipticity 0.1463424E-01 Gb(Abramov) 0.3597415E+00 Vb(Abramov) -0.5181730E+00 Hb(Abramov) -0.1584315E+00 Ex_ueg -0.9649418E-01 Ec_ueg -0.1288499E-01 Delta_ex -0.9482026E-01 Delta_ec 0.1832133E-01 Delta_et -0.2526535E+00 Pxc 0.7488884E+01 Qxc -0.5175403E+01 3,-1 79 3 -1 0.544770 3.289194 1.539983 Rho 0.1637829E+00 |GRAD(Rho)| 0.1865582E-15 GRAD(Rho)x 0.1676177E-15 GRAD(Rho)y 0.8105089E-16 GRAD(Rho)z -0.1179070E-16 Laplacian 0.6580859E+00 (-1/4)Del**2(Rho)) -0.1645215E+00 Diamond 0.1476201E+01 Metallicity 0.5133868E+01 Ellipticity 0.6386468E-01 Gb(Abramov) 0.2504529E+00 Vb(Abramov) -0.3363843E+00 Hb(Abramov) -0.8593142E-01 Ex_ueg -0.6618247E-01 Ec_ueg -0.9331576E-02 Delta_ex -0.7217269E-01 Delta_ec 0.1623829E-01 Delta_et -0.2184296E+00 Pxc 0.7092315E+01 Qxc -0.4444600E+01 3,-1 80 3 -1 -0.250765 2.360922 -2.335801 Rho 0.1283818E+00 |GRAD(Rho)| 0.1375493E-12 GRAD(Rho)x 0.1283376E-12 GRAD(Rho)y -0.6785249E-14 GRAD(Rho)z -0.4902289E-13 Laplacian 0.5222305E+00 (-1/4)Del**2(Rho)) -0.1305576E+00 Diamond 0.8727820E+00 Metallicity 0.4311117E+01 Ellipticity 0.9726034E-02 Gb(Abramov) 0.1808466E+00 Vb(Abramov) -0.2311356E+00 Hb(Abramov) -0.5028900E-01 Ex_ueg -0.4783248E-01 Ec_ueg -0.7074359E-02 Delta_ex -0.5393727E-01 Delta_ec 0.1365046E-01 Delta_et -0.1772660E+00 Pxc 0.6761387E+01 Qxc -0.3951315E+01 3,-1 81 3 +1 -0.432015 2.726702 -0.132956 Rho 0.2766303E-01 |GRAD(Rho)| 0.1924287E-14 GRAD(Rho)x -0.3900676E-15 GRAD(Rho)y 0.8291663E-15 GRAD(Rho)z -0.1692103E-14 Laplacian 0.1088866E+00 (-1/4)Del**2(Rho)) -0.2722164E-01 Diamond 0.1608998E-01 Metallicity 0.1601296E+01 Ellipticity -0.3718010E+01 Gb(Abramov) 0.2541275E-01 Vb(Abramov) -0.2360385E-01 Hb(Abramov) 0.1808897E-02 Ex_ueg -0.6178997E-02 Ec_ueg -0.1223706E-02 Delta_ex -0.6931648E-02 Delta_ec 0.1800042E-02 Delta_et -0.1629168E-01 Pxc 0.5049413E+01 Qxc -0.3850826E+01 3,+1 82 3 -1 -0.833410 -0.053195 -3.365438 Rho 0.1374027E+00 |GRAD(Rho)| 0.2666398E-13 GRAD(Rho)x -0.1499251E-13 GRAD(Rho)y 0.2181432E-13 GRAD(Rho)z 0.3213745E-14 Laplacian 0.5246685E+00 (-1/4)Del**2(Rho)) -0.1311671E+00 Diamond 0.9720611E+00 Metallicity 0.4805300E+01 Ellipticity 0.1103850E+00 Gb(Abramov) 0.1924943E+00 Vb(Abramov) -0.2538215E+00 Hb(Abramov) -0.6132719E-01 Ex_ueg -0.5236554E-01 Ec_ueg -0.7642052E-02 Delta_ex -0.5531915E-01 Delta_ec 0.1390455E-01 Delta_et -0.1833478E+00 Pxc 0.6852288E+01 Qxc -0.3978492E+01 3,-1 83 3 -1 0.335582 -0.402308 -2.451741 Rho 0.4891448E-01 |GRAD(Rho)| 0.8728040E-13 GRAD(Rho)x 0.7224140E-13 GRAD(Rho)y -0.1636240E-14 GRAD(Rho)z -0.4895275E-13 Laplacian 0.1878692E+00 (-1/4)Del**2(Rho)) -0.4696730E-01 Diamond 0.9071229E-01 Metallicity 0.2399680E+01 Ellipticity 0.2010164E-01 Gb(Abramov) 0.5009595E-01 Vb(Abramov) -0.5322459E-01 Hb(Abramov) -0.3128646E-02 Ex_ueg -0.1321199E-01 Ec_ueg -0.2354959E-02 Delta_ex -0.1530231E-01 Delta_ec 0.5462075E-02 Delta_et -0.5723045E-01 Pxc 0.5610286E+01 Qxc -0.2801556E+01 3,-1 84 3 -1 -0.810942 3.494645 -0.755340 Rho 0.1167214E+00 |GRAD(Rho)| 0.2611297E-15 GRAD(Rho)x -0.4538741E-16 GRAD(Rho)y -0.7663615E-16 GRAD(Rho)z 0.2454701E-15 Laplacian 0.4468171E+00 (-1/4)Del**2(Rho)) -0.1117043E+00 Diamond 0.6712371E+00 Metallicity 0.4299332E+01 Ellipticity 0.4014798E-01 Gb(Abramov) 0.1545118E+00 Vb(Abramov) -0.1973193E+00 Hb(Abramov) -0.4280753E-01 Ex_ueg -0.4212945E-01 Ec_ueg -0.6348664E-02 Delta_ex -0.4518087E-01 Delta_ec 0.1207506E-01 Delta_et -0.1545021E+00 Pxc 0.6635955E+01 Qxc -0.3741667E+01 3,-1 85 3 +3 1.754032 0.220661 -0.036659 Rho 0.3365361E-02 |GRAD(Rho)| 0.1680365E-15 GRAD(Rho)x -0.1248240E-15 GRAD(Rho)y 0.1098878E-15 GRAD(Rho)z -0.2408165E-16 Laplacian 0.1310319E-01 (-1/4)Del**2(Rho)) -0.3275798E-02 Diamond 0.6541402E-04 Metallicity 0.3974557E+00 Ellipticity -0.3523921E+00 Gb(Abramov) 0.2400863E-02 Vb(Abramov) -0.1525928E-02 Hb(Abramov) 0.8749352E-03 Ex_ueg -0.3724722E-03 Ec_ueg -0.7726042E-04 Delta_ex -0.4252506E-03 Delta_ec 0.9174401E-04 Delta_et -0.5752020E-03 Pxc 0.4820996E+01 Qxc -0.4635186E+01 3,+3 86 3 -1 -0.710974 3.526697 0.851183 Rho 0.1481995E+00 |GRAD(Rho)| 0.2180535E-14 GRAD(Rho)x 0.5066138E-15 GRAD(Rho)y -0.6913686E-15 GRAD(Rho)z 0.2005015E-14 Laplacian 0.5783336E+00 (-1/4)Del**2(Rho)) -0.1445834E+00 Diamond 0.1164233E+01 Metallicity 0.4945149E+01 Ellipticity 0.5116845E-01 Gb(Abramov) 0.2155533E+00 Vb(Abramov) -0.2865233E+00 Hb(Abramov) -0.7096993E-01 Ex_ueg -0.5792251E-01 Ec_ueg -0.8328356E-02 Delta_ex -0.6201592E-01 Delta_ec 0.1488243E-01 Delta_et -0.1981530E+00 Pxc 0.6954855E+01 Qxc -0.4167055E+01 3,-1 87 3 +1 0.538039 3.426142 0.027380 Rho 0.1182761E-01 |GRAD(Rho)| 0.8637629E-17 GRAD(Rho)x -0.8303095E-17 GRAD(Rho)y 0.2379561E-17 GRAD(Rho)z 0.7033653E-19 Laplacian 0.5437690E-01 (-1/4)Del**2(Rho)) -0.1359422E-01 Diamond 0.1740265E-02 Metallicity 0.7780853E+00 Ellipticity -0.1148738E+01 Gb(Abramov) 0.1082573E-01 Vb(Abramov) -0.8057230E-02 Hb(Abramov) 0.2768497E-02 Ex_ueg -0.1990281E-02 Ec_ueg -0.4516168E-03 Delta_ex -0.2546077E-02 Delta_ec 0.4976131E-03 Delta_et -0.3879295E-02 Pxc 0.4407013E+01 Qxc -0.5116579E+01 3,+1 88 3 -1 -0.263502 2.281220 -0.832418 Rho 0.4731128E-01 |GRAD(Rho)| 0.8751370E-16 GRAD(Rho)x 0.9855864E-17 GRAD(Rho)y -0.4703108E-16 GRAD(Rho)z 0.7314087E-16 Laplacian 0.1830554E+00 (-1/4)Del**2(Rho)) -0.4576385E-01 Diamond 0.8728062E-01 Metallicity 0.2329727E+01 Ellipticity 0.1235825E-01 Gb(Abramov) 0.4827878E-01 Vb(Abramov) -0.5079371E-01 Hb(Abramov) -0.2514930E-02 Ex_ueg -0.1263779E-01 Ec_ueg -0.2266799E-02 Delta_ex -0.1491569E-01 Delta_ec 0.5556153E-02 Delta_et -0.5776919E-01 Pxc 0.5575172E+01 Qxc -0.2684535E+01 3,-1 89 3 -1 -0.610943 3.830284 2.333439 Rho 0.2327229E+00 |GRAD(Rho)| 0.9475908E-11 GRAD(Rho)x -0.1857187E-11 GRAD(Rho)y 0.7182625E-11 GRAD(Rho)z 0.5895218E-11 Laplacian 0.8674917E+00 (-1/4)Del**2(Rho)) -0.2168729E+00 Diamond 0.2948128E+01 Metallicity 0.6994333E+01 Ellipticity 0.3831649E-02 Gb(Abramov) 0.3973955E+00 Vb(Abramov) -0.5779181E+00 Hb(Abramov) -0.1805226E+00 Ex_ueg -0.1057233E+00 Ec_ueg -0.1393752E-01 Delta_ex -0.1039264E+00 Delta_ec 0.1925557E-01 Delta_et -0.2660598E+00 Pxc 0.7585515E+01 Qxc -0.5397211E+01 3,-1 90 3 -1 -0.482186 -3.123271 1.755919 Rho 0.2285897E+00 |GRAD(Rho)| 0.8323722E-11 GRAD(Rho)x 0.8194377E-11 GRAD(Rho)y 0.9893613E-12 GRAD(Rho)z 0.1075962E-11 Laplacian 0.8854492E+00 (-1/4)Del**2(Rho)) -0.2213623E+00 Diamond 0.2923075E+01 Metallicity 0.6650851E+01 Ellipticity 0.7959717E-02 Gb(Abramov) 0.3929495E+00 Vb(Abramov) -0.5645367E+00 Hb(Abramov) -0.1715872E+00 Ex_ueg -0.1032271E+00 Ec_ueg -0.1365392E-01 Delta_ex -0.1054600E+00 Delta_ec 0.1953515E-01 Delta_et -0.2687912E+00 Pxc 0.7560258E+01 Qxc -0.5398471E+01 3,-1 91 3 +1 0.459320 -1.709997 0.015441 Rho 0.9697998E-02 |GRAD(Rho)| 0.6971943E-13 GRAD(Rho)x 0.3789582E-14 GRAD(Rho)y 0.3931426E-13 GRAD(Rho)z 0.5745283E-13 Laplacian 0.3893655E-01 (-1/4)Del**2(Rho)) -0.9734139E-02 Diamond 0.1171791E-02 Metallicity 0.7805352E+00 Ellipticity -0.1408408E+01 Gb(Abramov) 0.7755732E-02 Vb(Abramov) -0.5777325E-02 Hb(Abramov) 0.1978407E-02 Ex_ueg -0.1527430E-02 Ec_ueg -0.3543715E-03 Delta_ex -0.1812602E-02 Delta_ec 0.5096720E-03 Delta_et -0.3622255E-02 Pxc 0.4310249E+01 Qxc -0.3556409E+01 3,+1 92 3 +1 0.063267 0.882034 1.574510 Rho 0.8227666E-02 |GRAD(Rho)| 0.1721618E-14 GRAD(Rho)x 0.2331109E-15 GRAD(Rho)y -0.3075673E-15 GRAD(Rho)z -0.1677805E-14 Laplacian 0.3247378E-01 (-1/4)Del**2(Rho)) -0.8118446E-02 Diamond 0.7922495E-03 Metallicity 0.7115543E+00 Ellipticity -0.1379523E+01 Gb(Abramov) 0.6375083E-02 Vb(Abramov) -0.4631720E-02 Hb(Abramov) 0.1743363E-02 Ex_ueg -0.1226744E-02 Ec_ueg -0.2883518E-03 Delta_ex -0.1454637E-02 Delta_ec 0.4348266E-03 Delta_et -0.2956560E-02 Pxc 0.4254331E+01 Qxc -0.3345327E+01 3,+1 93 3 -1 1.447288 -2.676124 -2.024131 Rho 0.6147565E-01 |GRAD(Rho)| 0.1054053E-15 GRAD(Rho)x 0.1019430E-15 GRAD(Rho)y 0.1711854E-17 GRAD(Rho)z 0.2673892E-16 Laplacian 0.2472359E+00 (-1/4)Del**2(Rho)) -0.6180898E-01 Diamond 0.1679787E+00 Metallicity 0.2668948E+01 Ellipticity 0.8327138E-02 Gb(Abramov) 0.6870015E-01 Vb(Abramov) -0.7559132E-01 Hb(Abramov) -0.6891170E-02 Ex_ueg -0.1791936E-01 Ec_ueg -0.3058389E-02 Delta_ex -0.2151121E-01 Delta_ec 0.7471951E-02 Delta_et -0.8313706E-01 Pxc 0.5859085E+01 Qxc -0.2878928E+01 3,-1 94 3 +1 1.457897 -1.452077 -2.880280 Rho 0.1135671E-01 |GRAD(Rho)| 0.1699272E-12 GRAD(Rho)x -0.1072981E-12 GRAD(Rho)y 0.1145396E-12 GRAD(Rho)z -0.6513883E-13 Laplacian 0.5190986E-01 (-1/4)Del**2(Rho)) -0.1297746E-01 Diamond 0.1624241E-02 Metallicity 0.7617008E+00 Ellipticity -0.1166785E+01 Gb(Abramov) 0.1029913E-01 Vb(Abramov) -0.7620803E-02 Hb(Abramov) 0.2678331E-02 Ex_ueg -0.1885335E-02 Ec_ueg -0.4299546E-03 Delta_ex -0.2420168E-02 Delta_ec 0.5047211E-03 Delta_et -0.3867394E-02 Pxc 0.4384963E+01 Qxc -0.4795059E+01 3,+1 95 3 +1 1.442969 -1.623475 -1.753157 Rho 0.2181364E-01 |GRAD(Rho)| 0.1161804E-15 GRAD(Rho)x -0.3760298E-16 GRAD(Rho)y -0.1075158E-15 GRAD(Rho)z -0.2289655E-16 Laplacian 0.8505047E-01 (-1/4)Del**2(Rho)) -0.2126262E-01 Diamond 0.1054345E-01 Metallicity 0.1379802E+01 Ellipticity -0.9116166E+01 Gb(Abramov) 0.1906478E-01 Vb(Abramov) -0.1686694E-01 Hb(Abramov) 0.2197838E-02 Ex_ueg -0.4501487E-02 Ec_ueg -0.9296644E-03 Delta_ex -0.5273603E-02 Delta_ec 0.1750767E-02 Delta_et -0.1484350E-01 Pxc 0.4842056E+01 Qxc -0.3012167E+01 3,+1 96 3 -1 -0.154135 2.346944 2.387221 Rho 0.1376136E+00 |GRAD(Rho)| 0.6259573E-15 GRAD(Rho)x -0.1625693E-15 GRAD(Rho)y 0.4330981E-15 GRAD(Rho)z -0.4216869E-15 Laplacian 0.5692315E+00 (-1/4)Del**2(Rho)) -0.1423079E+00 Diamond 0.1042038E+01 Metallicity 0.4440447E+01 Ellipticity 0.1418631E-01 Gb(Abramov) 0.2001903E+00 Vb(Abramov) -0.2580728E+00 Hb(Abramov) -0.5788248E-01 Ex_ueg -0.5247274E-01 Ec_ueg -0.7655387E-02 Delta_ex -0.5987760E-01 Delta_ec 0.1479010E-01 Delta_et -0.1944962E+00 Pxc 0.6854355E+01 Qxc -0.4048492E+01 3,-1 97 3 +1 0.292967 -1.187917 2.579861 Rho 0.2918943E-01 |GRAD(Rho)| 0.2226277E-16 GRAD(Rho)x -0.2673072E-17 GRAD(Rho)y -0.8202664E-17 GRAD(Rho)z 0.2052320E-16 Laplacian 0.1154246E+00 (-1/4)Del**2(Rho)) -0.2885614E-01 Diamond 0.1742678E-01 Metallicity 0.1652054E+01 Ellipticity -0.3163144E+01 Gb(Abramov) 0.2718275E-01 Vb(Abramov) -0.2550935E-01 Hb(Abramov) 0.1673399E-02 Ex_ueg -0.6637723E-02 Ec_ueg -0.1301873E-02 Delta_ex -0.7372241E-02 Delta_ec 0.1759825E-02 Delta_et -0.1614866E-01 Pxc 0.5098595E+01 Qxc -0.4189189E+01 3,+1 98 3 -1 0.109423 -1.132390 3.596891 Rho 0.1292425E+00 |GRAD(Rho)| 0.1044076E-12 GRAD(Rho)x 0.8982938E-13 GRAD(Rho)y -0.5106630E-13 GRAD(Rho)z 0.1496174E-13 Laplacian 0.4925188E+00 (-1/4)Del**2(Rho)) -0.1231297E+00 Diamond 0.8349355E+00 Metallicity 0.4622381E+01 Ellipticity 0.5298168E-01 Gb(Abramov) 0.1769452E+00 Vb(Abramov) -0.2307607E+00 Hb(Abramov) -0.5381551E-01 Ex_ueg -0.4826053E-01 Ec_ueg -0.7128292E-02 Delta_ex -0.5101349E-01 Delta_ec 0.1296551E-01 Delta_et -0.1687625E+00 Pxc 0.6770279E+01 Qxc -0.3934553E+01 3,-1 99 3 -1 0.240109 -2.455467 -2.748307 Rho 0.1109740E+00 |GRAD(Rho)| 0.1408104E-13 GRAD(Rho)x -0.3233521E-14 GRAD(Rho)y 0.1358417E-13 GRAD(Rho)z -0.1813931E-14 Laplacian 0.4200665E+00 (-1/4)Del**2(Rho)) -0.1050166E+00 Diamond 0.5959203E+00 Metallicity 0.4204012E+01 Ellipticity 0.3420095E-01 Gb(Abramov) 0.1435929E+00 Vb(Abramov) -0.1821692E+00 Hb(Abramov) -0.3857631E-01 Ex_ueg -0.3938644E-01 Ec_ueg -0.5994483E-02 Delta_ex -0.4200225E-01 Delta_ec 0.1153954E-01 Delta_et -0.1463775E+00 Pxc 0.6570448E+01 Qxc -0.3639854E+01 3,-1 100 3 -1 0.156878 -1.082256 -3.583428 Rho 0.1535722E+00 |GRAD(Rho)| 0.5412585E-09 GRAD(Rho)x -0.8744200E-11 GRAD(Rho)y -0.5406538E-09 GRAD(Rho)z 0.2403741E-10 Laplacian 0.5977411E+00 (-1/4)Del**2(Rho)) -0.1494353E+00 Diamond 0.1254595E+01 Metallicity 0.5077160E+01 Ellipticity 0.5737870E-01 Gb(Abramov) 0.2260746E+00 Vb(Abramov) -0.3027140E+00 Hb(Abramov) -0.7663937E-01 Ex_ueg -0.6073910E-01 Ec_ueg -0.8672574E-02 Delta_ex -0.6464726E-01 Delta_ec 0.1522461E-01 Delta_et -0.2036759E+00 Pxc 0.7003584E+01 Qxc -0.4246235E+01 3,-1 101 3 +1 0.318204 -1.464564 -2.390783 Rho 0.2907137E-01 |GRAD(Rho)| 0.3646058E-16 GRAD(Rho)x 0.6973090E-17 GRAD(Rho)y 0.2688493E-16 GRAD(Rho)z -0.2362098E-16 Laplacian 0.1164903E+00 (-1/4)Del**2(Rho)) -0.2912256E-01 Diamond 0.1911594E-01 Metallicity 0.1625921E+01 Ellipticity -0.4786447E+01 Gb(Abramov) 0.2730687E-01 Vb(Abramov) -0.2549118E-01 Hb(Abramov) 0.1815692E-02 Ex_ueg -0.6601952E-02 Ec_ueg -0.1295807E-02 Delta_ex -0.7576510E-02 Delta_ec 0.2033982E-02 Delta_et -0.1861387E-01 Pxc 0.5094856E+01 Qxc -0.3724965E+01 3,+1 102 3 +1 1.543798 1.336907 -2.231765 Rho 0.5627456E-02 |GRAD(Rho)| 0.3316476E-17 GRAD(Rho)x 0.3172794E-17 GRAD(Rho)y 0.1562133E-18 GRAD(Rho)z 0.9528841E-18 Laplacian 0.2316767E-01 (-1/4)Del**2(Rho)) -0.5791918E-02 Diamond 0.6355135E-03 Metallicity 0.5295629E+00 Ellipticity -0.3280591E+01 Gb(Abramov) 0.4372476E-02 Vb(Abramov) -0.2953034E-02 Hb(Abramov) 0.1419442E-02 Ex_ueg -0.7392667E-03 Ec_ueg -0.1740139E-03 Delta_ex -0.1180388E-02 Delta_ec 0.7325683E-03 Delta_et -0.4120856E-02 Pxc 0.4248320E+01 Qxc -0.1611301E+01 3,+1 103 3 -1 0.053540 -0.418360 0.682760 Rho 0.1617824E+00 |GRAD(Rho)| 0.4699215E-12 GRAD(Rho)x -0.2212674E-12 GRAD(Rho)y 0.1808571E-12 GRAD(Rho)z -0.3730384E-12 Laplacian 0.3857319E+00 (-1/4)Del**2(Rho)) -0.9643297E-01 Diamond 0.8745644E+00 Metallicity 0.8581165E+01 Ellipticity 0.5189234E-02 Gb(Abramov) 0.2022065E+00 Vb(Abramov) -0.3079801E+00 Hb(Abramov) -0.1057735E+00 Ex_ueg -0.6510684E-01 Ec_ueg -0.9201972E-02 Delta_ex -0.4237227E-01 Delta_ec 0.9901248E-02 Delta_et -0.1338996E+00 Pxc 0.7075314E+01 Qxc -0.4279488E+01 3,-1 104 3 -1 0.196587 -0.433555 2.489596 Rho 0.4480251E-01 |GRAD(Rho)| 0.1281349E-15 GRAD(Rho)x -0.5173296E-16 GRAD(Rho)y 0.4997569E-16 GRAD(Rho)z 0.1060409E-15 Laplacian 0.1744034E+00 (-1/4)Del**2(Rho)) -0.4360086E-01 Diamond 0.7716319E-01 Metallicity 0.2233034E+01 Ellipticity 0.2851546E-01 Gb(Abramov) 0.4529427E-01 Vb(Abramov) -0.4698769E-01 Hb(Abramov) -0.1693415E-02 Ex_ueg -0.1175226E-01 Ec_ueg -0.2129657E-02 Delta_ex -0.1401613E-01 Delta_ec 0.5290528E-02 Delta_et -0.5421588E-01 Pxc 0.5518384E+01 Qxc -0.2649288E+01 3,-1 105 3 -1 0.070326 -0.414412 -0.653298 Rho 0.1607931E+00 |GRAD(Rho)| 0.2501012E-15 GRAD(Rho)x 0.1752071E-15 GRAD(Rho)y 0.1717376E-15 GRAD(Rho)z 0.4857226E-16 Laplacian 0.3805086E+00 (-1/4)Del**2(Rho)) -0.9512714E-01 Diamond 0.8555422E+00 Metallicity 0.8610485E+01 Ellipticity 0.4928060E-02 Gb(Abramov) 0.1999332E+00 Vb(Abramov) -0.3047393E+00 Hb(Abramov) -0.1048061E+00 Ex_ueg -0.6457655E-01 Ec_ueg -0.9137968E-02 Delta_ex -0.4172760E-01 Delta_ec 0.9768435E-02 Delta_et -0.1319608E+00 Pxc 0.7066839E+01 Qxc -0.4271677E+01 3,-1 106 3 -1 0.113696 0.076578 -4.562952 Rho 0.2329914E+00 |GRAD(Rho)| 0.8632326E-13 GRAD(Rho)x 0.5697205E-14 GRAD(Rho)y -0.1335867E-13 GRAD(Rho)z 0.8509285E-13 Laplacian 0.8661045E+00 (-1/4)Del**2(Rho)) -0.2165261E+00 Diamond 0.2948367E+01 Metallicity 0.7019014E+01 Ellipticity 0.3495242E-02 Gb(Abramov) 0.3976507E+00 Vb(Abramov) -0.5787753E+00 Hb(Abramov) -0.1811246E+00 Ex_ueg -0.1058859E+00 Ec_ueg -0.1395598E-01 Delta_ex -0.1037961E+00 Delta_ec 0.1922684E-01 Delta_et -0.2657117E+00 Pxc 0.7587140E+01 Qxc -0.5398503E+01 3,-1 107 3 -1 0.397581 3.288949 -1.462295 Rho 0.8703087E-01 |GRAD(Rho)| 0.2121339E-15 GRAD(Rho)x 0.2045652E-15 GRAD(Rho)y 0.1540753E-17 GRAD(Rho)z 0.5613796E-16 Laplacian 0.3505782E+00 (-1/4)Del**2(Rho)) -0.8764455E-01 Diamond 0.3655243E+00 Metallicity 0.3359571E+01 Ellipticity 0.1699480E-01 Gb(Abramov) 0.1075044E+00 Vb(Abramov) -0.1273642E+00 Hb(Abramov) -0.1985983E-01 Ex_ueg -0.2848500E-01 Ec_ueg -0.4546373E-02 Delta_ex -0.3302267E-01 Delta_ec 0.9958013E-02 Delta_et -0.1200855E+00 Pxc 0.6265434E+01 Qxc -0.3316191E+01 3,-1 108 3 +3 0.505819 3.217309 0.016169 Rho 0.1171609E-01 |GRAD(Rho)| 0.1090250E-16 GRAD(Rho)x 0.6233274E-17 GRAD(Rho)y -0.8258615E-17 GRAD(Rho)z -0.3436004E-17 Laplacian 0.5306932E-01 (-1/4)Del**2(Rho)) -0.1326733E-01 Diamond 0.1228021E-02 Metallicity 0.7847671E+00 Ellipticity -0.7525332E+00 Gb(Abramov) 0.1058018E-01 Vb(Abramov) -0.7893031E-02 Hb(Abramov) 0.2687149E-02 Ex_ueg -0.1965299E-02 Ec_ueg -0.4464786E-03 Delta_ex -0.2344612E-02 Delta_ec 0.2468241E-03 Delta_et -0.2183899E-02 Pxc 0.4401776E+01 Qxc -0.9499122E+01 3,+3 109 3 -1 0.614239 -3.111585 -0.882307 Rho 0.1366337E+00 |GRAD(Rho)| 0.1966311E-15 GRAD(Rho)x -0.8585526E-17 GRAD(Rho)y 0.3111491E-16 GRAD(Rho)z -0.1939638E-15 Laplacian 0.5597664E+00 (-1/4)Del**2(Rho)) -0.1399416E+00 Diamond 0.1007486E+01 Metallicity 0.4462067E+01 Ellipticity 0.7174814E-02 Gb(Abramov) 0.1973659E+00 Vb(Abramov) -0.2547901E+00 Hb(Abramov) -0.5742426E-01 Ex_ueg -0.5197512E-01 Ec_ueg -0.7593449E-02 Delta_ex -0.5868441E-01 Delta_ec 0.1439883E-01 Delta_et -0.1888000E+00 Pxc 0.6844732E+01 Qxc -0.4075638E+01 3,-1 110 3 -1 0.359892 -2.487035 2.774423 Rho 0.1343993E+00 |GRAD(Rho)| 0.2532683E-09 GRAD(Rho)x -0.2289692E-10 GRAD(Rho)y 0.1288136E-09 GRAD(Rho)z 0.2168586E-09 Laplacian 0.5140701E+00 (-1/4)Del**2(Rho)) -0.1285175E+00 Diamond 0.9269518E+00 Metallicity 0.4727005E+01 Ellipticity 0.3944999E-01 Gb(Abramov) 0.1869288E+00 Vb(Abramov) -0.2453402E+00 Hb(Abramov) -0.5841133E-01 Ex_ueg -0.5084496E-01 Ec_ueg -0.7452457E-02 Delta_ex -0.5390730E-01 Delta_ec 0.1368525E-01 Delta_et -0.1797977E+00 Pxc 0.6822577E+01 Qxc -0.3939081E+01 3,-1 111 3 -1 0.419352 -1.853905 -1.584704 Rho 0.5453821E-01 |GRAD(Rho)| 0.1127032E-15 GRAD(Rho)x -0.5553000E-16 GRAD(Rho)y -0.6035110E-17 GRAD(Rho)z -0.9788779E-16 Laplacian 0.2086052E+00 (-1/4)Del**2(Rho)) -0.5215129E-01 Diamond 0.1203035E+00 Metallicity 0.2590933E+01 Ellipticity 0.2238104E-01 Gb(Abramov) 0.5728761E-01 Vb(Abramov) -0.6242393E-01 Hb(Abramov) -0.5136321E-02 Ex_ueg -0.1527517E-01 Ec_ueg -0.2667223E-02 Delta_ex -0.1760163E-01 Delta_ec 0.6300525E-02 Delta_et -0.6798353E-01 Pxc 0.5726996E+01 Qxc -0.2793676E+01 3,-1 112 3 +1 0.775874 2.511516 -0.621367 Rho 0.2409437E-01 |GRAD(Rho)| 0.2866298E-15 GRAD(Rho)x 0.1385865E-15 GRAD(Rho)y 0.2067350E-15 GRAD(Rho)z -0.1421656E-15 Laplacian 0.9646909E-01 (-1/4)Del**2(Rho)) -0.2411727E-01 Diamond 0.1399646E-01 Metallicity 0.1435768E+01 Ellipticity -0.3220479E+02 Gb(Abramov) 0.2184932E-01 Vb(Abramov) -0.1958136E-01 Hb(Abramov) 0.2267956E-02 Ex_ueg -0.5139717E-02 Ec_ueg -0.1043226E-02 Delta_ex -0.6169725E-02 Delta_ec 0.2045220E-02 Delta_et -0.1778577E-01 Pxc 0.4926753E+01 Qxc -0.3016656E+01 3,+1 113 3 -1 0.011310 0.832448 3.281713 Rho 0.1295773E+00 |GRAD(Rho)| 0.1774751E-15 GRAD(Rho)x -0.2083023E-16 GRAD(Rho)y 0.1716699E-15 GRAD(Rho)z 0.3991219E-16 Laplacian 0.5315375E+00 (-1/4)Del**2(Rho)) -0.1328844E+00 Diamond 0.8988170E+00 Metallicity 0.4301575E+01 Ellipticity 0.5658170E-02 Gb(Abramov) 0.1838583E+00 Vb(Abramov) -0.2348321E+00 Hb(Abramov) -0.5097389E-01 Ex_ueg -0.4842730E-01 Ec_ueg -0.7149286E-02 Delta_ex -0.5502784E-01 Delta_ec 0.1387444E-01 Delta_et -0.1804665E+00 Pxc 0.6773726E+01 Qxc -0.3966131E+01 3,-1 114 3 -1 0.136971 0.898406 -3.241446 Rho 0.1361160E+00 |GRAD(Rho)| 0.1601998E-13 GRAD(Rho)x 0.2088470E-15 GRAD(Rho)y -0.1464700E-13 GRAD(Rho)z -0.6485487E-14 Laplacian 0.5618085E+00 (-1/4)Del**2(Rho)) -0.1404521E+00 Diamond 0.1012992E+01 Metallicity 0.4417806E+01 Ellipticity 0.1297360E-01 Gb(Abramov) 0.1970498E+00 Vb(Abramov) -0.2536474E+00 Hb(Abramov) -0.5659766E-01 Ex_ueg -0.5171269E-01 Ec_ueg -0.7560750E-02 Delta_ex -0.5891709E-01 Delta_ec 0.1459491E-01 Delta_et -0.1915226E+00 Pxc 0.6839625E+01 Qxc -0.4036825E+01 3,-1 115 3 -1 0.459084 -1.851757 1.612264 Rho 0.5949696E-01 |GRAD(Rho)| 0.2892905E-14 GRAD(Rho)x -0.7002718E-16 GRAD(Rho)y -0.2791424E-14 GRAD(Rho)z 0.7562719E-15 Laplacian 0.2283190E+00 (-1/4)Del**2(Rho)) -0.5707976E-01 Diamond 0.1453349E+00 Metallicity 0.2736712E+01 Ellipticity 0.1998614E-01 Gb(Abramov) 0.6408831E-01 Vb(Abramov) -0.7109687E-01 Hb(Abramov) -0.7008554E-02 Ex_ueg -0.1715450E-01 Ec_ueg -0.2946190E-02 Delta_ex -0.1959656E-01 Delta_ec 0.6716195E-02 Delta_et -0.7402766E-01 Pxc 0.5822606E+01 Qxc -0.2917807E+01 3,-1 116 3 -1 1.785004 -0.733885 -1.596296 Rho 0.2706866E-01 |GRAD(Rho)| 0.9970193E-17 GRAD(Rho)x 0.4841482E-17 GRAD(Rho)y 0.5464686E-18 GRAD(Rho)z -0.8698631E-17 Laplacian 0.1047290E+00 (-1/4)Del**2(Rho)) -0.2618224E-01 Diamond 0.2258764E-01 Metallicity 0.1605675E+01 Ellipticity 0.7179637E-01 Gb(Abramov) 0.2446152E-01 Vb(Abramov) -0.2274081E-01 Hb(Abramov) 0.1720718E-02 Ex_ueg -0.6002619E-02 Ec_ueg -0.1193422E-02 Delta_ex -0.7367346E-02 Delta_ec 0.3051276E-02 Delta_et -0.2723878E-01 Pxc 0.5029755E+01 Qxc -0.2414513E+01 3,-1 117 3 +1 1.451240 1.734228 -1.974132 Rho 0.5574838E-02 |GRAD(Rho)| 0.1132977E-16 GRAD(Rho)x 0.9745095E-17 GRAD(Rho)y -0.2480296E-17 GRAD(Rho)z 0.5219678E-17 Laplacian 0.2321788E-01 (-1/4)Del**2(Rho)) -0.5804470E-02 Diamond 0.5976116E-03 Metallicity 0.5202089E+00 Ellipticity -0.2454100E+01 Gb(Abramov) 0.4372903E-02 Vb(Abramov) -0.2941336E-02 Hb(Abramov) 0.1431567E-02 Ex_ueg -0.7300648E-03 Ec_ueg -0.1717337E-03 Delta_ex -0.1155647E-02 Delta_ec 0.6893004E-03 Delta_et -0.3884378E-02 Pxc 0.4251145E+01 Qxc -0.1676551E+01 3,+1 118 3 -1 0.725024 -3.868391 2.214379 Rho 0.2251047E+00 |GRAD(Rho)| 0.2965334E-15 GRAD(Rho)x -0.1420305E-15 GRAD(Rho)y 0.2587991E-15 GRAD(Rho)z -0.2797242E-16 Laplacian 0.8453348E+00 (-1/4)Del**2(Rho)) -0.2113337E+00 Diamond 0.2760767E+01 Metallicity 0.6790348E+01 Ellipticity 0.2100152E-01 Gb(Abramov) 0.3800607E+00 Vb(Abramov) -0.5487877E+00 Hb(Abramov) -0.1687270E+00 Ex_ueg -0.1011341E+00 Ec_ueg -0.1341552E-01 Delta_ex -0.1004037E+00 Delta_ec 0.1895350E-01 Delta_et -0.2615265E+00 Pxc 0.7538591E+01 Qxc -0.5297369E+01 3,-1 119 3 -1 0.566702 -3.852587 -2.221967 Rho 0.2149069E+00 |GRAD(Rho)| 0.8445742E-15 GRAD(Rho)x -0.8126773E-15 GRAD(Rho)y 0.1957527E-15 GRAD(Rho)z 0.1205904E-15 Laplacian 0.7985654E+00 (-1/4)Del**2(Rho)) -0.1996414E+00 Diamond 0.2472744E+01 Metallicity 0.6653549E+01 Ellipticity 0.2084069E-01 Gb(Abramov) 0.3544815E+00 Vb(Abramov) -0.5093217E+00 Hb(Abramov) -0.1548402E+00 Ex_ueg -0.9507193E-01 Ec_ueg -0.1272178E-01 Delta_ex -0.9375593E-01 Delta_ec 0.1821146E-01 Delta_et -0.2509088E+00 Pxc 0.7473165E+01 Qxc -0.5148183E+01 3,-1 120 3 -1 1.181660 -0.066239 -3.515931 Rho 0.1571431E+00 |GRAD(Rho)| 0.6146121E-13 GRAD(Rho)x 0.2865630E-13 GRAD(Rho)y -0.7883608E-14 GRAD(Rho)z 0.5379726E-13 Laplacian 0.6330791E+00 (-1/4)Del**2(Rho)) -0.1582698E+00 Diamond 0.1353955E+01 Metallicity 0.4980972E+01 Ellipticity 0.5607845E-01 Gb(Abramov) 0.2369027E+00 Vb(Abramov) -0.3155357E+00 Hb(Abramov) -0.7863297E-01 Ex_ueg -0.6262949E-01 Ec_ueg -0.8902333E-02 Delta_ex -0.6874578E-01 Delta_ec 0.1583166E-01 Delta_et -0.2119674E+00 Pxc 0.7035177E+01 Qxc -0.4342299E+01 3,-1 121 3 +1 1.667019 -0.730182 0.052671 Rho 0.5230325E-02 |GRAD(Rho)| 0.9460205E-17 GRAD(Rho)x -0.6630186E-18 GRAD(Rho)y -0.4834692E-18 GRAD(Rho)z 0.9424550E-17 Laplacian 0.1998401E-01 (-1/4)Del**2(Rho)) -0.4996003E-02 Diamond 0.2998827E-03 Metallicity 0.5434317E+00 Ellipticity -0.1379861E+01 Gb(Abramov) 0.3783166E-02 Vb(Abramov) -0.2570330E-02 Hb(Abramov) 0.1212837E-02 Ex_ueg -0.6705379E-03 Ec_ueg -0.1568381E-03 Delta_ex -0.8315623E-03 Delta_ec 0.3244708E-03 Delta_et -0.1908723E-02 Pxc 0.4275352E+01 Qxc -0.2562826E+01 3,+1 122 3 -1 1.059670 -0.096656 3.562940 Rho 0.7233103E-01 |GRAD(Rho)| 0.2556124E-15 GRAD(Rho)x 0.2555803E-15 GRAD(Rho)y 0.1412666E-17 GRAD(Rho)z 0.3795555E-17 Laplacian 0.2893222E+00 (-1/4)Del**2(Rho)) -0.7233056E-01 Diamond 0.2399358E+00 Metallicity 0.2990697E+01 Ellipticity 0.7788962E-02 Gb(Abramov) 0.8427351E-01 Vb(Abramov) -0.9621645E-01 Hb(Abramov) -0.1194294E-01 Ex_ueg -0.2225792E-01 Ec_ueg -0.3682134E-02 Delta_ex -0.2610542E-01 Delta_ec 0.8485384E-02 Delta_et -0.9815750E-01 Pxc 0.6044843E+01 Qxc -0.3076516E+01 3,-1 123 3 +1 1.507648 -1.418889 2.907748 Rho 0.1141342E-01 |GRAD(Rho)| 0.1562260E-16 GRAD(Rho)x 0.5432385E-17 GRAD(Rho)y 0.1056828E-16 GRAD(Rho)z 0.1014229E-16 Laplacian 0.5171277E-01 (-1/4)Del**2(Rho)) -0.1292819E-01 Diamond 0.1643192E-02 Metallicity 0.7709770E+00 Ellipticity -0.1186079E+01 Gb(Abramov) 0.1028002E-01 Vb(Abramov) -0.7631844E-02 Hb(Abramov) 0.2648174E-02 Ex_ueg -0.1897897E-02 Ec_ueg -0.4325584E-03 Delta_ex -0.2418578E-02 Delta_ec 0.5105165E-03 Delta_et -0.3907982E-02 Pxc 0.4387608E+01 Qxc -0.4737512E+01 3,+1 124 3 +1 2.106229 -2.044656 0.039209 Rho 0.4338512E-02 |GRAD(Rho)| 0.4664451E-15 GRAD(Rho)x -0.2786676E-15 GRAD(Rho)y -0.1032561E-15 GRAD(Rho)z -0.3595185E-15 Laplacian 0.1743203E-01 (-1/4)Del**2(Rho)) -0.4358008E-02 Diamond 0.3647941E-03 Metallicity 0.4562118E+00 Ellipticity -0.4381639E+01 Gb(Abramov) 0.3236701E-02 Vb(Abramov) -0.2115394E-02 Hb(Abramov) 0.1121307E-02 Ex_ueg -0.5226041E-03 Ec_ueg -0.1185583E-03 Delta_ex -0.8759148E-03 Delta_ec 0.6067114E-03 Delta_et -0.3133614E-02 Pxc 0.4407993E+01 Qxc -0.1443709E+01 3,+1 125 3 -1 1.530333 -2.639107 1.961978 Rho 0.7954611E-01 |GRAD(Rho)| 0.1195976E-14 GRAD(Rho)x 0.9315397E-15 GRAD(Rho)y 0.7500477E-15 GRAD(Rho)z 0.4476781E-17 Laplacian 0.3181107E+00 (-1/4)Del**2(Rho)) -0.7952767E-01 Diamond 0.2967781E+00 Metallicity 0.3187131E+01 Ellipticity 0.1250813E-01 Gb(Abramov) 0.9526262E-01 Vb(Abramov) -0.1109976E+00 Hb(Abramov) -0.1573495E-01 Ex_ueg -0.2526642E-01 Ec_ueg -0.4103713E-02 Delta_ex -0.2934106E-01 Delta_ec 0.9179630E-02 Delta_et -0.1085268E+00 Pxc 0.6156965E+01 Qxc -0.3196323E+01 3,-1 126 3 -1 1.506995 1.489641 -2.129493 Rho 0.5650782E-02 |GRAD(Rho)| 0.2829444E-14 GRAD(Rho)x 0.1456899E-15 GRAD(Rho)y 0.2608752E-14 GRAD(Rho)z 0.1085790E-14 Laplacian 0.2276593E-01 (-1/4)Del**2(Rho)) -0.5691483E-02 Diamond 0.7392580E-03 Metallicity 0.5426362E+00 Ellipticity 0.3033411E+01 Gb(Abramov) 0.4309056E-02 Vb(Abramov) -0.2926629E-02 Hb(Abramov) 0.1382427E-02 Ex_ueg -0.7433554E-03 Ec_ueg -0.1750252E-03 Delta_ex -0.1248637E-02 Delta_ec 0.8765814E-03 Delta_et -0.4874954E-02 Pxc 0.4247133E+01 Qxc -0.1424439E+01 3,-1 127 3 +3 1.378842 -1.305416 2.705155 Rho 0.1120529E-01 |GRAD(Rho)| 0.1913552E-16 GRAD(Rho)x -0.8309151E-17 GRAD(Rho)y 0.1474565E-16 GRAD(Rho)z 0.8927032E-17 Laplacian 0.5001220E-01 (-1/4)Del**2(Rho)) -0.1250305E-01 Diamond 0.1047874E-02 Metallicity 0.7731116E+00 Ellipticity -0.6636246E+00 Gb(Abramov) 0.9946409E-02 Vb(Abramov) -0.7389768E-02 Hb(Abramov) 0.2556641E-02 Ex_ueg -0.1851892E-02 Ec_ueg -0.4230077E-03 Delta_ex -0.2168556E-02 Delta_ec 0.2102163E-03 Delta_et -0.1899136E-02 Pxc 0.4377916E+01 Qxc -0.1031583E+02 3,+3 128 3 +1 1.653705 -1.273395 1.727372 Rho 0.2335835E-01 |GRAD(Rho)| 0.3293439E-14 GRAD(Rho)x -0.1936955E-14 GRAD(Rho)y 0.1423377E-14 GRAD(Rho)z 0.2251432E-14 Laplacian 0.8901480E-01 (-1/4)Del**2(Rho)) -0.2225370E-01 Diamond 0.1056028E-01 Metallicity 0.1477592E+01 Ellipticity -0.3581609E+01 Gb(Abramov) 0.2031612E-01 Vb(Abramov) -0.1837853E-01 Hb(Abramov) 0.1937584E-02 Ex_ueg -0.4931450E-02 Ec_ueg -0.1006420E-02 Delta_ex -0.5431826E-02 Delta_ec 0.1501402E-02 Delta_et -0.1303618E-01 Pxc 0.4899991E+01 Qxc -0.3617837E+01 3,+1 129 3 -1 1.728585 -0.662055 1.686884 Rho 0.2766558E-01 |GRAD(Rho)| 0.1839345E-16 GRAD(Rho)x 0.1697777E-16 GRAD(Rho)y 0.6297121E-17 GRAD(Rho)z 0.3228122E-17 Laplacian 0.1086025E+00 (-1/4)Del**2(Rho)) -0.2715063E-01 Diamond 0.2405313E-01 Metallicity 0.1605732E+01 Ellipticity 0.1313796E+00 Gb(Abramov) 0.2536652E-01 Vb(Abramov) -0.2358242E-01 Hb(Abramov) 0.1784105E-02 Ex_ueg -0.6179758E-02 Ec_ueg -0.1223836E-02 Delta_ex -0.7673087E-02 Delta_ec 0.3151100E-02 Delta_et -0.2830285E-01 Pxc 0.5049497E+01 Qxc -0.2435050E+01 3,-1 130 3 -1 1.897141 3.026192 0.668616 Rho 0.1017486E+00 |GRAD(Rho)| 0.1997242E-15 GRAD(Rho)x 0.1885834E-15 GRAD(Rho)y 0.1316289E-16 GRAD(Rho)z 0.6444227E-16 Laplacian 0.3974437E+00 (-1/4)Del**2(Rho)) -0.9936092E-01 Diamond 0.5025898E+00 Metallicity 0.3844899E+01 Ellipticity 0.1423898E-01 Gb(Abramov) 0.1299127E+00 Vb(Abramov) -0.1604645E+00 Hb(Abramov) -0.3055181E-01 Ex_ueg -0.3508243E-01 Ec_ueg -0.5431097E-02 Delta_ex -0.3885262E-01 Delta_ec 0.1097572E-01 Delta_et -0.1367269E+00 Pxc 0.6459547E+01 Qxc -0.3539871E+01 3,-1 131 3 +3 1.671851 -1.560281 0.054068 Rho 0.3647647E-02 |GRAD(Rho)| 0.8974908E-12 GRAD(Rho)x 0.8762470E-12 GRAD(Rho)y -0.1934261E-12 GRAD(Rho)z 0.1635096E-13 Laplacian 0.1491264E-01 (-1/4)Del**2(Rho)) -0.3728160E-02 Diamond 0.1015480E-03 Metallicity 0.3994049E+00 Ellipticity -0.1780447E+00 Gb(Abramov) 0.2733614E-02 Vb(Abramov) -0.1739068E-02 Hb(Abramov) 0.9945457E-03 Ex_ueg -0.4147014E-03 Ec_ueg -0.8918799E-04 Delta_ex -0.5203393E-03 Delta_ec 0.1511417E-03 Delta_et -0.8781354E-03 Pxc 0.4649745E+01 Qxc -0.3442724E+01 3,+3 132 3 +1 3.031298 0.532062 -0.058186 Rho 0.1190432E-01 |GRAD(Rho)| 0.1742076E-13 GRAD(Rho)x -0.2538864E-14 GRAD(Rho)y 0.8630442E-14 GRAD(Rho)z 0.1491819E-13 Laplacian 0.5831398E-01 (-1/4)Del**2(Rho)) -0.1457850E-01 Diamond 0.2295206E-02 Metallicity 0.7334123E+00 Ellipticity -0.1268839E+01 Gb(Abramov) 0.1150101E-01 Vb(Abramov) -0.8423515E-02 Hb(Abramov) 0.3077491E-02 Ex_ueg -0.2007511E-02 Ec_ueg -0.4551540E-03 Delta_ex -0.2855691E-02 Delta_ec 0.7486057E-03 Delta_et -0.5608723E-02 Pxc 0.4410620E+01 Qxc -0.3814680E+01 3,+1 133 3 -1 2.920485 0.395199 1.596926 Rho 0.1268846E+00 |GRAD(Rho)| 0.2429261E-15 GRAD(Rho)x -0.5964806E-16 GRAD(Rho)y -0.2351770E-15 GRAD(Rho)z -0.1212274E-16 Laplacian 0.5256302E+00 (-1/4)Del**2(Rho)) -0.1314075E+00 Diamond 0.8624770E+00 Metallicity 0.4200307E+01 Ellipticity 0.1687006E-01 Gb(Abramov) 0.1795970E+00 Vb(Abramov) -0.2277865E+00 Hb(Abramov) -0.4818950E-01 Ex_ueg -0.4709017E-01 Ec_ueg -0.6980662E-02 Delta_ex -0.5408925E-01 Delta_ec 0.1369578E-01 Delta_et -0.1773654E+00 Pxc 0.6745804E+01 Qxc -0.3949336E+01 3,-1 134 3 -1 2.661827 1.864918 0.606948 Rho 0.1327130E+00 |GRAD(Rho)| 0.6012467E-15 GRAD(Rho)x -0.1422134E-15 GRAD(Rho)y 0.4138129E-15 GRAD(Rho)z -0.4123492E-15 Laplacian 0.5534720E+00 (-1/4)Del**2(Rho)) -0.1383680E+00 Diamond 0.9585534E+00 Metallicity 0.4299057E+01 Ellipticity 0.5219160E-02 Gb(Abramov) 0.1913873E+00 Vb(Abramov) -0.2444066E+00 Hb(Abramov) -0.5301932E-01 Ex_ueg -0.4999612E-01 Ec_ueg -0.7346258E-02 Delta_ex -0.5757648E-01 Delta_ec 0.1426724E-01 Delta_et -0.1860965E+00 Pxc 0.6805657E+01 Qxc -0.4035573E+01 3,-1 135 3 -1 2.710443 1.876144 -0.774788 Rho 0.1622669E+00 |GRAD(Rho)| 0.4472039E-15 GRAD(Rho)x -0.1630437E-15 GRAD(Rho)y 0.1317577E-15 GRAD(Rho)z 0.3950291E-15 Laplacian 0.6624376E+00 (-1/4)Del**2(Rho)) -0.1656094E+00 Diamond 0.1453815E+01 Metallicity 0.5021705E+01 Ellipticity 0.3528226E-01 Gb(Abramov) 0.2490132E+00 Vb(Abramov) -0.3324170E+00 Hb(Abramov) -0.8340380E-01 Ex_ueg -0.6536694E-01 Ec_ueg -0.9233339E-02 Delta_ex -0.7234174E-01 Delta_ec 0.1613400E-01 Delta_et -0.2161286E+00 Pxc 0.7079448E+01 Qxc -0.4483807E+01 3,-1 136 3 -1 3.200466 -0.738390 0.932308 Rho 0.8837170E-01 |GRAD(Rho)| 0.3009487E-14 GRAD(Rho)x -0.1235672E-14 GRAD(Rho)y 0.6608170E-15 GRAD(Rho)z -0.2663353E-14 Laplacian 0.3710117E+00 (-1/4)Del**2(Rho)) -0.9275292E-01 Diamond 0.3974605E+00 Metallicity 0.3256474E+01 Ellipticity 0.4628101E-02 Gb(Abramov) 0.1121765E+00 Vb(Abramov) -0.1316001E+00 Hb(Abramov) -0.1942360E-01 Ex_ueg -0.2907163E-01 Ec_ueg -0.4626211E-02 Delta_ex -0.3513902E-01 Delta_ec 0.1062703E-01 Delta_et -0.1286922E+00 Pxc 0.6284112E+01 Qxc -0.3306571E+01 3,-1 137 3 -1 2.739134 -1.489289 2.014688 Rho 0.1702306E+00 |GRAD(Rho)| 0.7992325E-13 GRAD(Rho)x 0.7281740E-13 GRAD(Rho)y -0.3245936E-13 GRAD(Rho)z 0.5634050E-14 Laplacian 0.6417485E+00 (-1/4)Del**2(Rho)) -0.1604371E+00 Diamond 0.1507108E+01 Metallicity 0.5614497E+01 Ellipticity 0.4431982E-01 Gb(Abramov) 0.2570870E+00 Vb(Abramov) -0.3537370E+00 Hb(Abramov) -0.9664992E-01 Ex_ueg -0.6967898E-01 Ec_ueg -0.9750902E-02 Delta_ex -0.7105594E-01 Delta_ec 0.1566694E-01 Delta_et -0.2116756E+00 Pxc 0.7145901E+01 Qxc -0.4535407E+01 3,-1 138 3 -1 2.544659 -0.367455 -2.674244 Rho 0.1107020E+00 |GRAD(Rho)| 0.1576162E-14 GRAD(Rho)x -0.1257878E-14 GRAD(Rho)y -0.4050952E-15 GRAD(Rho)z 0.8590269E-15 Laplacian 0.4327070E+00 (-1/4)Del**2(Rho)) -0.1081768E+00 Diamond 0.6072102E+00 Metallicity 0.4064544E+01 Ellipticity 0.1141984E-01 Gb(Abramov) 0.1453994E+00 Vb(Abramov) -0.1826220E+00 Hb(Abramov) -0.3722261E-01 Ex_ueg -0.3925778E-01 Ec_ueg -0.5977782E-02 Delta_ex -0.4316900E-01 Delta_ec 0.1176457E-01 Delta_et -0.1489787E+00 Pxc 0.6567283E+01 Qxc -0.3669407E+01 3,-1 139 3 -1 3.001195 0.331767 -1.593119 Rho 0.9787527E-01 |GRAD(Rho)| 0.9817430E-14 GRAD(Rho)x 0.1389898E-14 GRAD(Rho)y -0.9457306E-14 GRAD(Rho)z -0.2238186E-14 Laplacian 0.4037099E+00 (-1/4)Del**2(Rho)) -0.1009275E+00 Diamond 0.4880050E+00 Metallicity 0.3548123E+01 Ellipticity 0.1154551E-01 Gb(Abramov) 0.1269688E+00 Vb(Abramov) -0.1530102E+00 Hb(Abramov) -0.2604136E-01 Ex_ueg -0.3331315E-01 Ec_ueg -0.5196524E-02 Delta_ex -0.3912456E-01 Delta_ec 0.1127128E-01 Delta_et -0.1393661E+00 Pxc 0.6410660E+01 Qxc -0.3471172E+01 3,-1 140 3 -1 3.239787 -0.814250 -0.879627 Rho 0.1691888E+00 |GRAD(Rho)| 0.2174306E-13 GRAD(Rho)x -0.6816667E-14 GRAD(Rho)y -0.1436871E-13 GRAD(Rho)z -0.1482679E-13 Laplacian 0.6925914E+00 (-1/4)Del**2(Rho)) -0.1731478E+00 Diamond 0.1592234E+01 Metallicity 0.5149388E+01 Ellipticity 0.3593576E-01 Gb(Abramov) 0.2640328E+00 Vb(Abramov) -0.3549177E+00 Hb(Abramov) -0.9088494E-01 Ex_ueg -0.6911102E-01 Ec_ueg -0.9682988E-02 Delta_ex -0.7637830E-01 Delta_ec 0.1659681E-01 Delta_et -0.2231486E+00 Pxc 0.7137365E+01 Qxc -0.4601986E+01 3,-1 141 3 -1 2.525594 -0.293565 2.795858 Rho 0.1770761E+00 |GRAD(Rho)| 0.1978203E-13 GRAD(Rho)x 0.1161446E-13 GRAD(Rho)y -0.5341024E-14 GRAD(Rho)z -0.1509657E-13 Laplacian 0.6797364E+00 (-1/4)Del**2(Rho)) -0.1699341E+00 Diamond 0.1668281E+01 Metallicity 0.5660729E+01 Ellipticity 0.5566585E-01 Gb(Abramov) 0.2736145E+00 Vb(Abramov) -0.3772950E+00 Hb(Abramov) -0.1036805E+00 Ex_ueg -0.7343980E-01 Ec_ueg -0.1019875E-01 Delta_ex -0.7596660E-01 Delta_ec 0.1634696E-01 Delta_et -0.2215986E+00 Pxc 0.7200860E+01 Qxc -0.4647139E+01 3,-1 142 3 -1 3.243116 3.108881 -0.074126 Rho 0.2203710E+00 |GRAD(Rho)| 0.1852787E-10 GRAD(Rho)x 0.1491416E-10 GRAD(Rho)y 0.1090257E-10 GRAD(Rho)z 0.1408516E-11 Laplacian 0.7895862E+00 (-1/4)Del**2(Rho)) -0.1973966E+00 Diamond 0.2536473E+01 Metallicity 0.7016777E+01 Ellipticity 0.3180748E-02 Gb(Abramov) 0.3624457E+00 Vb(Abramov) -0.5274947E+00 Hb(Abramov) -0.1650491E+00 Ex_ueg -0.9830848E-01 Ec_ueg -0.1309278E-01 Delta_ex -0.9340359E-01 Delta_ec 0.1805540E-01 Delta_et -0.2498269E+00 Pxc 0.7508602E+01 Qxc -0.5173167E+01 3,-1 143 3 +1 1.038498 2.441252 0.478651 Rho 0.2265062E-01 |GRAD(Rho)| 0.1234427E-13 GRAD(Rho)x -0.5157837E-14 GRAD(Rho)y -0.1003807E-13 GRAD(Rho)z -0.5001502E-14 Laplacian 0.8528243E-01 (-1/4)Del**2(Rho)) -0.2132061E-01 Diamond 0.8164201E-02 Metallicity 0.1465167E+01 Ellipticity -0.2125138E+01 Gb(Abramov) 0.1942011E-01 Vb(Abramov) -0.1751962E-01 Hb(Abramov) 0.1900496E-02 Ex_ueg -0.4733239E-02 Ec_ueg -0.9711697E-03 Delta_ex -0.4971650E-02 Delta_ec 0.1099174E-02 Delta_et -0.9573174E-02 Pxc 0.4873751E+01 Qxc -0.4523077E+01 3,+1 144 3 +1 -1.794368 0.180679 1.615512 Rho 0.6151560E-02 |GRAD(Rho)| 0.1323823E-16 GRAD(Rho)x -0.9087513E-17 GRAD(Rho)y 0.4208646E-17 GRAD(Rho)z -0.8657670E-17 Laplacian 0.2095680E-01 (-1/4)Del**2(Rho)) -0.5239200E-02 Diamond 0.4319049E-03 Metallicity 0.6790947E+00 Ellipticity -0.1813774E+01 Gb(Abramov) 0.4085786E-02 Vb(Abramov) -0.2932371E-02 Hb(Abramov) 0.1153415E-02 Ex_ueg -0.8324640E-03 Ec_ueg -0.1968008E-03 Delta_ex -0.9344346E-03 Delta_ec 0.3908402E-03 Delta_et -0.2364289E-02 Pxc 0.4229982E+01 Qxc -0.2390836E+01 3,+1 145 3 -1 -1.942582 0.458877 -2.656031 Rho 0.3188292E+00 |GRAD(Rho)| 0.7759625E-15 GRAD(Rho)x 0.3043705E-15 GRAD(Rho)y 0.1653620E-16 GRAD(Rho)z 0.7135846E-15 Laplacian -0.1607646E+01 (-1/4)Del**2(Rho)) 0.4019116E+00 Diamond 0.5617705E+01 Metallicity -0.6378024E+01 Ellipticity 0.5179207E-02 Gb(Abramov) 0.1592926E+00 Vb(Abramov) -0.7204968E+00 Hb(Abramov) -0.5612042E+00 Ex_ueg -0.1608654E+00 Ec_ueg -0.2005894E-01 Delta_ex 0.1597766E+00 Delta_ec 0.5624503E-01 Delta_et -0.1332563E+01 Pxc 0.8019635E+01 Qxc 0.2840724E+01 3,-1 146 3 -1 -0.118801 0.713956 0.009419 Rho 0.1639116E+00 |GRAD(Rho)| 0.4736755E-16 GRAD(Rho)x -0.3209238E-16 GRAD(Rho)y -0.3469447E-16 GRAD(Rho)z -0.3171291E-17 Laplacian 0.3949040E+00 (-1/4)Del**2(Rho)) -0.9872601E-01 Diamond 0.9094522E+00 Metallicity 0.8566516E+01 Ellipticity 0.2752024E-02 Gb(Abramov) 0.2067737E+00 Vb(Abramov) -0.3148213E+00 Hb(Abramov) -0.1080477E+00 Ex_ueg -0.6625182E-01 Ec_ueg -0.9339922E-02 Delta_ex -0.4351944E-01 Delta_ec 0.1010223E-01 Delta_et -0.1368516E+00 Pxc 0.7093402E+01 Qxc -0.4307902E+01 3,-1 147 3 +3 1.363222 -1.371758 -2.683344 Rho 0.1121633E-01 |GRAD(Rho)| 0.1012458E-16 GRAD(Rho)x 0.3673969E-17 GRAD(Rho)y 0.7375011E-17 GRAD(Rho)z -0.5883738E-17 Laplacian 0.5039498E-01 (-1/4)Del**2(Rho)) -0.1259874E-01 Diamond 0.1100441E-02 Metallicity 0.7684999E+00 Ellipticity -0.7136102E+00 Gb(Abramov) 0.1001285E-01 Vb(Abramov) -0.7426959E-02 Hb(Abramov) 0.2585893E-02 Ex_ueg -0.1854326E-02 Ec_ueg -0.4235139E-03 Delta_ex -0.2199408E-02 Delta_ec 0.2361541E-03 Delta_et -0.2073970E-02 Pxc 0.4378429E+01 Qxc -0.9313444E+01 3,+3 148 3 -1 1.872090 3.067998 -0.718451 Rho 0.1608647E+00 |GRAD(Rho)| 0.8066080E-14 GRAD(Rho)x 0.5372493E-14 GRAD(Rho)y -0.3722744E-14 GRAD(Rho)z 0.4726430E-14 Laplacian 0.6187973E+00 (-1/4)Del**2(Rho)) -0.1546993E+00 Diamond 0.1353373E+01 Metallicity 0.5298659E+01 Ellipticity 0.5434423E-01 Gb(Abramov) 0.2397494E+00 Vb(Abramov) -0.3247994E+00 Hb(Abramov) -0.8505005E-01 Ex_ueg -0.6461490E-01 Ec_ueg -0.9142599E-02 Delta_ex -0.6751538E-01 Delta_ec 0.1525724E-01 Delta_et -0.2045680E+00 Pxc 0.7067454E+01 Qxc -0.4425138E+01 3,-1 149 3 -1 3.969423 -0.717983 -2.200955 Rho 0.2200351E+00 |GRAD(Rho)| 0.3236138E-10 GRAD(Rho)x -0.2989978E-10 GRAD(Rho)y 0.6646616E-13 GRAD(Rho)z 0.1237973E-10 Laplacian 0.7841005E+00 (-1/4)Del**2(Rho)) -0.1960251E+00 Diamond 0.2515798E+01 Metallicity 0.7047926E+01 Ellipticity 0.2743203E-02 Gb(Abramov) 0.3609452E+00 Vb(Abramov) -0.5258652E+00 Hb(Abramov) -0.1649200E+00 Ex_ueg -0.9810872E-01 Ec_ueg -0.1306992E-01 Delta_ex -0.9272748E-01 Delta_ec 0.1795442E-01 Delta_et -0.2484722E+00 Pxc 0.7506449E+01 Qxc -0.5164604E+01 3,-1 150 3 -1 3.916744 -0.563357 2.284581 Rho 0.2189391E+00 |GRAD(Rho)| 0.7609862E-15 GRAD(Rho)x 0.7391006E-15 GRAD(Rho)y 0.1898031E-16 GRAD(Rho)z 0.1801944E-15 Laplacian 0.7823143E+00 (-1/4)Del**2(Rho)) -0.1955786E+00 Diamond 0.2493732E+01 Metallicity 0.7005473E+01 Ellipticity 0.4326821E-02 Gb(Abramov) 0.3587391E+00 Vb(Abramov) -0.5218997E+00 Hb(Abramov) -0.1631605E+00 Ex_ueg -0.9745770E-01 Ec_ueg -0.1299540E-01 Delta_ex -0.9238927E-01 Delta_ec 0.1792484E-01 Delta_et -0.2479325E+00 Pxc 0.7499402E+01 Qxc -0.5154259E+01 3,-1 151 3 -1 -2.151054 1.469931 2.001129 Rho 0.3245809E+00 |GRAD(Rho)| 0.3552168E-15 GRAD(Rho)x -0.1387470E-15 GRAD(Rho)y -0.3207951E-15 GRAD(Rho)z -0.6339364E-16 Laplacian -0.1648006E+01 (-1/4)Del**2(Rho)) 0.4120015E+00 Diamond 0.5833949E+01 Metallicity -0.6410021E+01 Ellipticity 0.5290693E-02 Gb(Abramov) 0.1654887E+00 Vb(Abramov) -0.7429788E+00 Hb(Abramov) -0.5774901E+00 Ex_ueg -0.1647463E+00 Ec_ueg -0.2048246E-01 Delta_ex 0.1651191E+00 Delta_ec 0.5734080E-01 Delta_et -0.1369691E+01 Pxc 0.8043288E+01 Qxc 0.2879609E+01 3,-1 152 3 -1 -0.065104 0.011851 4.582312 Rho 0.2174096E+00 |GRAD(Rho)| 0.2272491E-15 GRAD(Rho)x -0.5338002E-17 GRAD(Rho)y -0.2519415E-16 GRAD(Rho)z -0.2257851E-15 Laplacian 0.8025481E+00 (-1/4)Del**2(Rho)) -0.2006370E+00 Diamond 0.2522494E+01 Metallicity 0.6749525E+01 Ellipticity 0.1298144E-01 Gb(Abramov) 0.3594588E+00 Vb(Abramov) -0.5182805E+00 Hb(Abramov) -0.1588218E+00 Ex_ueg -0.9655096E-01 Ec_ueg -0.1289150E-01 Delta_ex -0.9452105E-01 Delta_ec 0.1827033E-01 Delta_et -0.2520056E+00 Pxc 0.7489507E+01 Qxc -0.5173472E+01 3,-1 153 3 -1 2.758320 -1.600788 -2.027061 Rho 0.1830907E+00 |GRAD(Rho)| 0.1536202E-15 GRAD(Rho)x 0.6825053E-16 GRAD(Rho)y 0.1371787E-15 GRAD(Rho)z 0.1109274E-16 Laplacian 0.6901590E+00 (-1/4)Del**2(Rho)) -0.1725397E+00 Diamond 0.1766092E+01 Metallicity 0.5894422E+01 Ellipticity 0.5289590E-01 Gb(Abramov) 0.2845302E+00 Vb(Abramov) -0.3965206E+00 Hb(Abramov) -0.1119904E+00 Ex_ueg -0.7678449E-01 Ec_ueg -0.1059448E-01 Delta_ex -0.7780607E-01 Delta_ec 0.1649095E-01 Delta_et -0.2244323E+00 Pxc 0.7247592E+01 Qxc -0.4718106E+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 67 111 109 76 93 99 119 106 72 73 96 86 79 89 129 136 133 137 141 150 83 114 82 120 100 142 57 135 134 148 130 152 104 66 113 98 122 115 90 75 110 125 118 116 139 140 138 153 149 88 80 71 78 107 84 105 49 54 56 50 64 146 103 126 51 52 151 145 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 18 19 21 23 28 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 19 21 23 28 36 36 36 20 45 46 45 46 2.326270 1.926112 1.745022 2.264611 2.024620 1.759275 1.754360 2.378523 1.975649 1.947603 1.929941 1.888411 1.754699 2.610072 2.100849 1.956176 1.852469 1.834787 1.752306 2.386936 1.952758 1.966125 1.903936 1.916360 1.749705 2.546246 1.859932 1.939057 1.874745 2.057584 1.754477 2.405832 1.769831 1.948627 1.962068 2.197197 2.305578 1.761176 1.960165 1.969961 2.179860 1.767769 2.620651 2.062855 1.842504 2.022489 1.823676 1.750411 2.384595 1.953481 1.775611 1.754640 2.123417 2.002613 1.764181 3.256818 3.125058 3.132464 3.198719 1.648025 1.755323 1.761282 3.233326 1.902440 1.789287 0.990539 0.996199 2.327675 1.926634 1.745064 2.265164 2.025339 1.759314 1.754370 2.380300 1.976926 1.948159 1.930474 1.888895 1.754709 2.611546 2.101385 1.956908 1.853022 1.835150 1.752337 2.388774 1.953337 1.967304 1.904463 1.916917 1.749725 2.547872 1.860511 1.939699 1.875356 2.058258 1.754507 2.407294 1.769930 1.949115 1.962802 2.197915 2.307048 1.761199 1.960571 1.970484 2.180409 1.767785 2.622153 2.063404 1.843054 2.023207 1.824076 1.750437 2.386166 1.953966 1.775790 1.754668 2.124066 2.003444 1.764206 3.310461 3.158311 3.244465 3.311565 1.648036 1.755354 1.761315 3.235796 1.912904 1.797061 0.990625 0.996281 27 25 23 27 24 24 23 33 28 25 25 26 26 33 30 28 22 24 22 27 25 25 28 24 24 33 26 27 23 29 23 27 25 27 23 30 27 23 26 25 28 24 32 25 22 25 24 24 27 24 25 24 27 24 23 37 37 36 37 23 23 24 35 27 25 20 17 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 Mo O W Mo W Mo Mo O O W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H 2.2084 -0.8350 2.3998 2.2340 2.4007 2.2891 2.1899 -0.7864 -0.7847 2.3193 2.2567 2.2090 -1.0854 -0.8946 -1.0876 -1.0867 -0.8160 -0.9532 -0.7871 -0.9100 -0.7916 -0.9055 -0.8192 -0.9645 -0.9560 -0.7337 -0.9284 -0.8170 -0.9561 -0.7816 -0.9223 -0.9720 -0.8924 -0.9609 -0.9198 2.1882 -0.8645 -0.9030 -0.9623 -0.9503 -0.7868 -0.7866 -0.8366 -0.7933 0.2652 0.2709 1.9897 1.9562 2.1130 1.9713 2.1140 1.9517 1.9922 1.9653 1.9641 2.1411 1.9604 1.9914 1.9330 1.9574 1.9326 1.9329 1.9563 1.9328 1.9676 1.9415 1.9662 1.9436 1.8735 1.9346 1.9324 1.9704 1.9361 1.8736 1.9397 1.9640 1.9455 1.9412 1.9533 1.9413 1.9484 0.8870 1.9525 1.9496 1.9415 1.9411 1.9632 1.9656 1.9559 1.9642 0.5913 0.5766 6.1088 4.8460 6.1167 6.1033 6.1168 6.0886 6.1223 4.7911 4.7914 6.1187 6.0965 6.1154 5.1205 4.9047 5.1224 5.1214 4.8273 4.9934 4.7893 4.9420 4.7950 4.9353 4.9162 5.0028 4.9964 4.7320 4.9678 4.9136 4.9872 4.7883 4.9511 5.0020 4.9117 4.9912 4.9444 1.3662 4.8811 4.9261 4.9921 4.9799 4.7950 4.7910 4.8480 4.7993 0.1435 0.1525 3.6931 0.0328 3.3411 3.6914 3.3390 3.6706 3.6956 0.0300 0.0292 3.3920 3.6864 3.6842 0.0319 0.0326 0.0325 0.0324 0.0325 0.0271 0.0302 0.0265 0.0305 0.0266 0.0296 0.0270 0.0272 0.0313 0.0245 0.0298 0.0292 0.0292 0.0256 0.0288 0.0273 0.0284 0.0269 10.5587 0.0310 0.0273 0.0287 0.0293 0.0286 0.0300 0.0327 0.0298 0.0000 0.0000 0.0000 0.0000 14.0295 0.0000 14.0294 0.0000 0.0000 0.0000 0.0000 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 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 Mo O W Mo W Mo Mo O O W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H 3.140004 -0.884528 2.506185 3.157034 2.506042 3.167812 3.142501 -1.063851 -1.065450 2.474023 3.154368 3.147556 -1.165072 -0.980681 -1.163731 -1.155321 -0.882889 -1.097303 -1.004895 -1.198158 -0.991327 -1.193846 -0.663685 -1.113601 -1.099896 -1.022109 -1.219062 -0.664281 -1.073827 -1.063453 -1.191073 -1.097869 -1.165254 -1.077147 -1.116695 2.271112 -0.918606 -1.179578 -1.070055 -1.061851 -1.066077 -1.064795 -0.886675 -1.072493 0.035169 0.033330 2.350748 -0.779030 1.954647 2.358925 1.953953 2.361381 2.331661 -0.854583 -0.862858 1.945675 2.359576 2.334633 -0.830303 -0.813308 -0.826667 -0.818031 -0.792308 -0.830496 -0.820918 -0.942990 -0.806450 -0.943973 -0.837628 -0.826380 -0.828118 -0.813912 -0.931239 -0.828776 -0.875450 -0.860391 -0.987334 -0.892817 -0.966483 -0.873086 -0.912954 1.741575 -0.827847 -0.978043 -0.872301 -0.879480 -0.870433 -0.850218 -0.781040 -0.861191 0.295421 0.288841 2.434158 -0.755143 2.059908 2.445118 2.056376 2.454085 2.424850 -0.819633 -0.837544 2.029424 2.444291 2.428769 -0.876590 -0.742419 -0.878894 -0.859385 -0.805570 -0.922541 -0.870125 -1.011424 -0.873670 -1.027538 -0.874499 -0.919285 -0.918624 -0.819966 -1.023878 -0.882976 -0.915607 -0.832315 -1.017567 -0.966140 -0.984621 -0.931743 -0.929684 1.697661 -0.800106 -0.991038 -0.940908 -0.919256 -0.848590 -0.817058 -0.758403 -0.831615 0.353365 0.376351 -21.13918974 -0.20697058 -1.50210826 21.19350158 71.02382297 19.03793933 -1.31572843 -35.18725643 2.45072136 -35.83656655 -283.7010 357.3429 -75.4386 -326.2684 -60.9719 -389.0370 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:16 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:21 Nodes: 1 Procs: 1 Jun10-2024 15:29:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:34 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -13.68828565 -14.01619919 -14.07039756 -14.20502772 -14.23495015 -14.25416802 -14.26173946 -14.27071841 -14.27470411 -14.28098816 -14.28538620 -14.28671347 -14.29033711 -14.29148529 -14.29322761 -14.29412036 -14.29477743 -14.29518344 -14.29535218 -14.29589457 -14.29606498 -14.29631996 -14.29644152 -14.29654413 -14.29666338 -14.29673540 -14.29677405 -14.29679010 -14.29679314 -14.29679779 -14.29680175 -14.29682278 -14.29684551 GEOMETRY CONVERGED