ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 03:42:04 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.37 0.05 2.67 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 Jun12-2024 03:42:04 Nodes: 1 Procs: 1 Jun12-2024 03:42:06 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 03:42:09 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.45 0.06 2.82 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 Jun12-2024 03:42:04 Nodes: 1 Procs: 1 Jun12-2024 03:42:06 Nodes: 1 Procs: 1 0 Jun12-2024 03:42:09 Nodes: 1 Procs: 1 Jun12-2024 03:42:11 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 03:42:14 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.90 0.04 1.80 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 Jun12-2024 03:42:04 Nodes: 1 Procs: 1 Jun12-2024 03:42:06 Nodes: 1 Procs: 1 0 Jun12-2024 03:42:09 Nodes: 1 Procs: 1 Jun12-2024 03:42:11 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 03:42:14 Nodes: 1 Procs: 1 Jun12-2024 03:42:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 03:42:18 Arsenic (TZP, 3p frozen) c1-6 c1-6 c1-6 c1-6 c1-6 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.43 0.07 2.94 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 Jun12-2024 03:42:04 Nodes: 1 Procs: 1 Jun12-2024 03:42:06 Nodes: 1 Procs: 1 0 Jun12-2024 03:42:09 Nodes: 1 Procs: 1 Jun12-2024 03:42:11 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 03:42:14 Nodes: 1 Procs: 1 Jun12-2024 03:42:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 03:42:18 Nodes: 1 Procs: 1 Jun12-2024 03:42:20 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 03:42:26 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2305.6775999999995 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Mo ADF 2019.304 Jun12-2024 03:42:11 1 1 Molybdenum TZP 3d t21.W ADF 2019.304 Jun12-2024 03:42:20 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun12-2024 03:42:16 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun12-2024 03:42:06 1 1 Arsenic TZP 3p 1 1 -16.41026604 0.17631197 0.00100000 F 0.04744307 0.00066667 F 0.17631197 0.04744307 0.06193272 0.01000000 F 0.02119700 0.00666667 F Cartesian 2305.6775999999995 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-0.970908 -0.991109 Rho 0.3190144E+03 3,-3 15 3 -3 0.981068 0.991594 -0.968727 Rho 0.3190246E+03 3,-3 16 3 -3 -0.984725 0.960994 0.987368 Rho 0.3190276E+03 3,-3 17 3 -3 -3.015775 -1.174993 1.140338 Rho 0.3189419E+03 3,-3 18 3 -3 3.014604 -1.173722 -1.132514 Rho 0.3189615E+03 3,-3 19 3 -3 -3.000880 1.164729 -1.138842 Rho 0.3189423E+03 3,-3 20 3 -3 3.007948 1.170764 1.137595 Rho 0.3189718E+03 3,-3 21 3 -3 1.166357 -1.128709 -3.005745 Rho 0.3189416E+03 3,-3 22 3 -3 1.175119 1.132114 3.020826 Rho 0.3190228E+03 3,-3 23 3 -3 -1.175147 1.148000 -3.005641 Rho 0.3189675E+03 3,-3 24 3 -3 -1.173993 -1.142214 2.993905 Rho 0.3189670E+03 3,-3 25 3 -3 -1.140626 3.021348 -1.171181 Rho 0.3190319E+03 3,-3 26 3 -3 -1.143838 -3.017121 1.163367 Rho 0.3190323E+03 3,-3 27 3 -3 1.138245 2.990981 1.170804 Rho 0.3189445E+03 3,-3 28 3 -3 1.137034 -2.990425 -1.173064 Rho 0.3188784E+03 3,-3 29 3 -3 3.418825 -1.547610 1.502729 Rho 0.3190620E+03 3,-3 30 3 -3 -3.417296 -1.538205 -1.502683 Rho 0.3190447E+03 3,-3 31 3 -3 3.411126 1.539125 -1.498312 Rho 0.3190632E+03 3,-3 32 3 -3 -3.420648 1.534689 1.502276 Rho 0.3190521E+03 3,-3 33 3 -3 1.542287 -1.508444 3.421092 Rho 0.3191275E+03 3,-3 34 3 -3 1.543853 1.512416 -3.424271 Rho 0.3191267E+03 3,-3 35 3 -3 -1.537627 1.487052 3.423159 Rho 0.3190657E+03 3,-3 36 3 -3 -1.528603 -1.483838 -3.418807 Rho 0.3189873E+03 3,-3 37 3 -3 -1.497662 -3.415166 -1.549348 Rho 0.3190516E+03 3,-3 38 3 -3 -1.502786 3.413275 1.546653 Rho 0.3191208E+03 3,-3 39 3 -3 1.495281 -3.424459 1.529821 Rho 0.3190519E+03 3,-3 40 3 -3 1.495726 3.429368 -1.536448 Rho 0.3190512E+03 3,-3 41 3 -3 -0.211714 -3.690505 3.818473 Rho 0.3195475E+03 3,-3 42 3 -3 0.207299 -3.685243 -3.806261 Rho 0.3193998E+03 3,-3 43 3 -3 -0.210154 3.693120 -3.828432 Rho 0.3195470E+03 3,-3 44 3 -3 0.211052 3.687112 3.817932 Rho 0.3195484E+03 3,-3 45 3 -3 3.686075 -3.808519 -0.201155 Rho 0.3194020E+03 3,-3 46 3 -3 3.680852 3.808395 0.198123 Rho 0.3193992E+03 3,-3 47 3 -3 -3.685764 3.820747 -0.215745 Rho 0.3195434E+03 3,-3 48 3 -3 -3.692139 -3.824853 0.214375 Rho 0.3195460E+03 3,-3 49 3 -3 -3.814337 0.203534 -3.683862 Rho 0.3193960E+03 3,-3 50 3 -3 -3.812444 -0.202686 3.684272 Rho 0.3193974E+03 3,-3 51 3 -3 3.818664 0.214953 3.692663 Rho 0.3195511E+03 3,-3 52 3 -3 3.809711 -0.219507 -3.694156 Rho 0.3195503E+03 3,-3 53 3 -3 0.005186 0.002141 0.002233 Rho 0.4276078E+05 3,-3 54 3 +1 -1.664063 0.537271 -0.522987 Rho 0.8838076E-02 |GRAD(Rho)| 0.6553465E-13 GRAD(Rho)x 0.3134586E-13 GRAD(Rho)y 0.2306474E-13 GRAD(Rho)z -0.5272803E-13 Laplacian 0.3441956E-01 (-1/4)Del**2(Rho)) -0.8604890E-02 Diamond 0.9599970E-03 Metallicity 0.7563754E+00 Ellipticity -0.1463646E+01 Gb(Abramov) 0.6821348E-02 Vb(Abramov) -0.5037806E-02 Hb(Abramov) 0.1783542E-02 Ex_ueg -0.1349570E-02 Ec_ueg -0.3156448E-03 Delta_ex -0.1585058E-02 Delta_ec 0.4874052E-03 Delta_et -0.3352376E-02 Pxc 0.4275596E+01 Qxc -0.3252033E+01 3,+1 55 3 +3 -2.323580 -0.017207 -0.006806 Rho 0.4681621E-02 |GRAD(Rho)| 0.3078011E-17 GRAD(Rho)x 0.2175507E-17 GRAD(Rho)y -0.1760736E-17 GRAD(Rho)z -0.1281066E-17 Laplacian 0.1905634E-01 (-1/4)Del**2(Rho)) -0.4764085E-02 Diamond 0.1729883E-03 Metallicity 0.4737698E+00 Ellipticity -0.2986118E+00 Gb(Abramov) 0.3552237E-02 Vb(Abramov) -0.2340388E-02 Hb(Abramov) 0.1211848E-02 Ex_ueg -0.5784245E-03 Ec_ueg -0.1332375E-03 Delta_ex -0.6985701E-03 Delta_ec 0.1769247E-03 Delta_et -0.1114265E-02 Pxc 0.4341305E+01 Qxc -0.3948403E+01 3,+3 56 3 +1 -0.186427 2.899682 0.188599 Rho 0.5263419E-02 |GRAD(Rho)| 0.4895108E-14 GRAD(Rho)x -0.3723435E-14 GRAD(Rho)y 0.4046174E-15 GRAD(Rho)z 0.3151888E-14 Laplacian 0.2179775E-01 (-1/4)Del**2(Rho)) -0.5449438E-02 Diamond 0.5112036E-03 Metallicity 0.5034790E+00 Ellipticity -0.2324328E+01 Gb(Abramov) 0.4090238E-02 Vb(Abramov) -0.2731038E-02 Hb(Abramov) 0.1359200E-02 Ex_ueg -0.6762007E-03 Ec_ueg -0.1582663E-03 Delta_ex -0.1065587E-02 Delta_ec 0.6346066E-03 Delta_et -0.3520783E-02 Pxc 0.4272549E+01 Qxc -0.1679129E+01 3,+1 57 3 -1 -0.532520 -1.696812 -1.755696 Rho 0.4914245E-01 |GRAD(Rho)| 0.6403919E-12 GRAD(Rho)x -0.2544597E-12 GRAD(Rho)y 0.3978172E-12 GRAD(Rho)z 0.4325430E-12 Laplacian 0.2007649E+00 (-1/4)Del**2(Rho)) -0.5019122E-01 Diamond 0.9851539E-01 Metallicity 0.2263011E+01 Ellipticity 0.1392171E-01 Gb(Abramov) 0.5239136E-01 Vb(Abramov) -0.5459150E-01 Hb(Abramov) -0.2200144E-02 Ex_ueg -0.1329416E-01 Ec_ueg -0.2367527E-02 Delta_ex -0.1641432E-01 Delta_ec 0.5912512E-02 Delta_et -0.6204593E-01 Pxc 0.5615208E+01 Qxc -0.2776201E+01 3,-1 58 3 -1 -2.030631 0.841562 2.963634 Rho 0.1301192E+00 |GRAD(Rho)| 0.4541090E-13 GRAD(Rho)x 0.3688828E-13 GRAD(Rho)y 0.2002652E-13 GRAD(Rho)z -0.1733040E-13 Laplacian 0.5098144E+00 (-1/4)Del**2(Rho)) -0.1274536E+00 Diamond 0.8772063E+00 Metallicity 0.4516167E+01 Ellipticity 0.2461973E-01 Gb(Abramov) 0.1809027E+00 Vb(Abramov) -0.2343518E+00 Hb(Abramov) -0.5344909E-01 Ex_ueg -0.4869752E-01 Ec_ueg -0.7183279E-02 Delta_ex -0.5296206E-01 Delta_ec 0.1352604E-01 Delta_et -0.1764890E+00 Pxc 0.6779288E+01 Qxc -0.3915561E+01 3,-1 59 3 +1 -1.747295 -1.758021 1.737150 Rho 0.1198842E-01 |GRAD(Rho)| 0.2386706E-16 GRAD(Rho)x -0.3952049E-17 GRAD(Rho)y 0.1391057E-16 GRAD(Rho)z 0.1898720E-16 Laplacian 0.6020642E-01 (-1/4)Del**2(Rho)) -0.1505161E-01 Diamond 0.2410819E-02 Metallicity 0.7187430E+00 Ellipticity -0.1245903E+01 Gb(Abramov) 0.1183744E-01 Vb(Abramov) -0.8623281E-02 Hb(Abramov) 0.3214163E-02 Ex_ueg -0.2026443E-02 Ec_ueg -0.4590345E-03 Delta_ex -0.2959100E-02 Delta_ec 0.7822688E-03 Delta_et -0.5863720E-02 Pxc 0.4414576E+01 Qxc -0.3782715E+01 3,+1 60 3 +3 -1.109914 -1.131126 1.096503 Rho 0.5112695E-02 |GRAD(Rho)| 0.4059988E-14 GRAD(Rho)x 0.6385630E-16 GRAD(Rho)y 0.3903455E-14 GRAD(Rho)z 0.1114660E-14 Laplacian 0.1984427E-01 (-1/4)Del**2(Rho)) -0.4961068E-02 Diamond 0.1432434E-03 Metallicity 0.5268994E+00 Ellipticity -0.7765669E-01 Gb(Abramov) 0.3743043E-02 Vb(Abramov) -0.2525017E-02 Hb(Abramov) 0.1218025E-02 Ex_ueg -0.6505063E-03 Ec_ueg -0.1517657E-03 Delta_ex -0.6901953E-03 Delta_ec 0.8800617E-04 Delta_et -0.6976687E-03 Pxc 0.4286253E+01 Qxc -0.7842579E+01 3,+3 61 3 +3 -1.098438 1.131036 -1.108855 Rho 0.5102819E-02 |GRAD(Rho)| 0.6772835E-14 GRAD(Rho)x -0.5195986E-14 GRAD(Rho)y 0.3036748E-14 GRAD(Rho)z -0.3106635E-14 Laplacian 0.1981539E-01 (-1/4)Del**2(Rho)) -0.4953847E-02 Diamond 0.1426755E-03 Metallicity 0.5259698E+00 Ellipticity -0.3020349E-01 Gb(Abramov) 0.3736827E-02 Vb(Abramov) -0.2519807E-02 Hb(Abramov) 0.1217020E-02 Ex_ueg -0.6488315E-03 Ec_ueg -0.1513402E-03 Delta_ex -0.6888377E-03 Delta_ec 0.8790887E-04 Delta_et -0.6965787E-03 Pxc 0.4287238E+01 Qxc -0.7835816E+01 3,+3 62 3 -1 -3.129245 3.268331 -0.070021 Rho 0.2409131E+00 |GRAD(Rho)| 0.3494483E-14 GRAD(Rho)x -0.2519632E-14 GRAD(Rho)y 0.5377643E-16 GRAD(Rho)z -0.2420739E-14 Laplacian 0.8597002E+00 (-1/4)Del**2(Rho)) -0.2149250E+00 Diamond 0.3070204E+01 Metallicity 0.7476532E+01 Ellipticity 0.1167305E-02 Gb(Abramov) 0.4110990E+00 Vb(Abramov) -0.6072730E+00 Hb(Abramov) -0.1961740E+00 Ex_ueg -0.1107131E+00 Ec_ueg -0.1450226E-01 Delta_ex -0.1040558E+00 Delta_ec 0.1911914E-01 Delta_et -0.2655284E+00 Pxc 0.7634197E+01 Qxc -0.5442494E+01 3,-1 63 3 +1 -0.540162 1.677411 -0.526935 Rho 0.8496112E-02 |GRAD(Rho)| 0.2046794E-16 GRAD(Rho)x -0.7178690E-17 GRAD(Rho)y 0.1383722E-16 GRAD(Rho)z 0.1326403E-16 Laplacian 0.3278693E-01 (-1/4)Del**2(Rho)) -0.8196732E-02 Diamond 0.8811635E-03 Metallicity 0.7434975E+00 Ellipticity -0.1477273E+01 Gb(Abramov) 0.6480196E-02 Vb(Abramov) -0.4763660E-02 Hb(Abramov) 0.1716536E-02 Ex_ueg -0.1280399E-02 Ec_ueg -0.3003343E-03 Delta_ex -0.1501550E-02 Delta_ec 0.4762097E-03 Delta_et -0.3232608E-02 Pxc 0.4263247E+01 Qxc -0.3153128E+01 3,+1 64 3 +1 -2.901612 -0.172982 -0.159774 Rho 0.5362703E-02 |GRAD(Rho)| 0.1192004E-14 GRAD(Rho)x 0.5444903E-16 GRAD(Rho)y -0.1054955E-14 GRAD(Rho)z -0.5522477E-15 Laplacian 0.2202149E-01 (-1/4)Del**2(Rho)) -0.5505372E-02 Diamond 0.5459527E-03 Metallicity 0.5141298E+00 Ellipticity -0.2835858E+01 Gb(Abramov) 0.4141994E-02 Vb(Abramov) -0.2778616E-02 Hb(Abramov) 0.1363378E-02 Ex_ueg -0.6932609E-03 Ec_ueg -0.1625546E-03 Delta_ex -0.1094385E-02 Delta_ec 0.6658119E-03 Delta_et -0.3703789E-02 Pxc 0.4264787E+01 Qxc -0.1643684E+01 3,+1 65 3 -1 -2.904606 -0.003871 0.002140 Rho 0.5396730E-02 |GRAD(Rho)| 0.6028528E-17 GRAD(Rho)x 0.8614627E-18 GRAD(Rho)y 0.5389365E-17 GRAD(Rho)z -0.2560425E-17 Laplacian 0.2156372E-01 (-1/4)Del**2(Rho)) -0.5390931E-02 Diamond 0.6392188E-03 Metallicity 0.5306080E+00 Ellipticity 0.3116993E+01 Gb(Abramov) 0.4070699E-02 Vb(Abramov) -0.2750467E-02 Hb(Abramov) 0.1320232E-02 Ex_ueg -0.6991321E-03 Ec_ueg -0.1640254E-03 Delta_ex -0.1156884E-02 Delta_ec 0.8017804E-03 Delta_et -0.4406085E-02 Pxc 0.4262340E+01 Qxc -0.1442894E+01 3,-1 66 3 +1 -2.898573 0.163705 0.162201 Rho 0.5363743E-02 |GRAD(Rho)| 0.7426211E-17 GRAD(Rho)x -0.7334349E-18 GRAD(Rho)y 0.7300549E-17 GRAD(Rho)z 0.1145716E-17 Laplacian 0.2198013E-01 (-1/4)Del**2(Rho)) -0.5495033E-02 Diamond 0.5421056E-03 Metallicity 0.5152636E+00 Ellipticity -0.2826367E+01 Gb(Abramov) 0.4135254E-02 Vb(Abramov) -0.2775475E-02 Hb(Abramov) 0.1359779E-02 Ex_ueg -0.6934402E-03 Ec_ueg -0.1625996E-03 Delta_ex -0.1089865E-02 Delta_ec 0.6600868E-03 Delta_et -0.3674023E-02 Pxc 0.4264711E+01 Qxc -0.1651093E+01 3,+1 67 3 -1 -2.811298 -0.573501 1.763172 Rho 0.1525633E+00 |GRAD(Rho)| 0.3748019E-15 GRAD(Rho)x -0.1144714E-15 GRAD(Rho)y 0.2936562E-15 GRAD(Rho)z 0.2028271E-15 Laplacian 0.6406172E+00 (-1/4)Del**2(Rho)) -0.1601543E+00 Diamond 0.1320216E+01 Metallicity 0.4685595E+01 Ellipticity 0.1708818E-01 Gb(Abramov) 0.2318392E+00 Vb(Abramov) -0.3035242E+00 Hb(Abramov) -0.7168494E-01 Ex_ueg -0.6020768E-01 Ec_ueg -0.8607805E-02 Delta_ex -0.6903808E-01 Delta_ec 0.1610402E-01 Delta_et -0.2146842E+00 Pxc 0.6994545E+01 Qxc -0.4287010E+01 3,-1 68 3 -1 -3.263599 -0.054934 3.132679 Rho 0.2511000E+00 |GRAD(Rho)| 0.8816315E-15 GRAD(Rho)x 0.7183924E-15 GRAD(Rho)y 0.1822002E-15 GRAD(Rho)z -0.4774826E-15 Laplacian 0.9192510E+00 (-1/4)Del**2(Rho)) -0.2298127E+00 Diamond 0.3416702E+01 Metallicity 0.7491869E+01 Ellipticity 0.1688580E-02 Gb(Abramov) 0.4401630E+00 Vb(Abramov) -0.6505132E+00 Hb(Abramov) -0.2103502E+00 Ex_ueg -0.1169986E+00 Ec_ueg -0.1520979E-01 Delta_ex -0.1123053E+00 Delta_ec 0.1988789E-01 Delta_et -0.2751473E+00 Pxc 0.7692318E+01 Qxc -0.5646918E+01 3,-1 69 3 -1 -3.263178 0.055762 -3.135020 Rho 0.2513956E+00 |GRAD(Rho)| 0.3287914E-15 GRAD(Rho)x 0.2908914E-15 GRAD(Rho)y -0.1215391E-15 GRAD(Rho)z 0.9334981E-16 Laplacian 0.9174590E+00 (-1/4)Del**2(Rho)) -0.2293647E+00 Diamond 0.3416427E+01 Metallicity 0.7521236E+01 Ellipticity 0.1954046E-02 Gb(Abramov) 0.4404276E+00 Vb(Abramov) -0.6514904E+00 Hb(Abramov) -0.2110628E+00 Ex_ueg -0.1171823E+00 Ec_ueg -0.1523041E-01 Delta_ex -0.1121288E+00 Delta_ec 0.1985586E-01 Delta_et -0.2747753E+00 Pxc 0.7693966E+01 Qxc -0.5647138E+01 3,-1 70 3 -1 -2.801787 0.568725 -1.764817 Rho 0.1545422E+00 |GRAD(Rho)| 0.1265630E-15 GRAD(Rho)x -0.1045035E-15 GRAD(Rho)y -0.1778092E-16 GRAD(Rho)z 0.6914499E-16 Laplacian 0.6482135E+00 (-1/4)Del**2(Rho)) -0.1620534E+00 Diamond 0.1354493E+01 Metallicity 0.4731226E+01 Ellipticity 0.1770491E-01 Gb(Abramov) 0.2358208E+00 Vb(Abramov) -0.3095882E+00 Hb(Abramov) -0.7376740E-01 Ex_ueg -0.6125120E-01 Ec_ueg -0.8734913E-02 Delta_ex -0.7005808E-01 Delta_ec 0.1620454E-01 Delta_et -0.2163054E+00 Pxc 0.7012228E+01 Qxc -0.4323361E+01 3,-1 71 3 +1 -0.521519 0.549273 -1.669869 Rho 0.8688141E-02 |GRAD(Rho)| 0.1827569E-12 GRAD(Rho)x -0.2846302E-13 GRAD(Rho)y 0.1794813E-12 GRAD(Rho)z -0.1940105E-13 Laplacian 0.3393413E-01 (-1/4)Del**2(Rho)) -0.8483533E-02 Diamond 0.9297989E-03 Metallicity 0.7456262E+00 Ellipticity -0.1459461E+01 Gb(Abramov) 0.6709946E-02 Vb(Abramov) -0.4936359E-02 Hb(Abramov) 0.1773587E-02 Ex_ueg -0.1319130E-02 Ec_ueg -0.3089255E-03 Delta_ex -0.1558239E-02 Delta_ec 0.4846262E-03 Delta_et -0.3315328E-02 Pxc 0.4270058E+01 Qxc -0.3215341E+01 3,+1 72 3 +1 -1.741251 1.759571 -1.742605 Rho 0.1197233E-01 |GRAD(Rho)| 0.8024152E-15 GRAD(Rho)x -0.1075465E-15 GRAD(Rho)y -0.5639777E-15 GRAD(Rho)z 0.5605650E-15 Laplacian 0.6005960E-01 (-1/4)Del**2(Rho)) -0.1501490E-01 Diamond 0.2399713E-02 Metallicity 0.7188890E+00 Ellipticity -0.1246053E+01 Gb(Abramov) 0.1180894E-01 Vb(Abramov) -0.8602983E-02 Hb(Abramov) 0.3205959E-02 Ex_ueg -0.2022817E-02 Ec_ueg -0.4582918E-03 Delta_ex -0.2950606E-02 Delta_ec 0.7799465E-03 Delta_et -0.5844710E-02 Pxc 0.4413819E+01 Qxc -0.3783088E+01 3,+1 73 3 -1 -3.026972 0.874566 1.948461 Rho 0.1591845E+00 |GRAD(Rho)| 0.3546957E-15 GRAD(Rho)x -0.1870249E-15 GRAD(Rho)y 0.1823086E-15 GRAD(Rho)z -0.2399882E-15 Laplacian 0.6248037E+00 (-1/4)Del**2(Rho)) -0.1562009E+00 Diamond 0.1362568E+01 Metallicity 0.5156689E+01 Ellipticity 0.5558164E-01 Gb(Abramov) 0.2383806E+00 Vb(Abramov) -0.3205602E+00 Hb(Abramov) -0.8217962E-01 Ex_ueg -0.6371663E-01 Ec_ueg -0.9034024E-02 Delta_ex -0.6811444E-01 Delta_ec 0.1566315E-01 Delta_et -0.2102860E+00 Pxc 0.7052962E+01 Qxc -0.4348705E+01 3,-1 74 3 +1 -2.164270 1.431004 1.034741 Rho 0.2740271E-01 |GRAD(Rho)| 0.4529415E-16 GRAD(Rho)x -0.3463748E-16 GRAD(Rho)y 0.1736399E-16 GRAD(Rho)z -0.2345841E-16 Laplacian 0.1090950E+00 (-1/4)Del**2(Rho)) -0.2727375E-01 Diamond 0.1490574E-01 Metallicity 0.1573249E+01 Ellipticity -0.2722661E+01 Gb(Abramov) 0.2533390E-01 Vb(Abramov) -0.2339405E-01 Hb(Abramov) 0.1939849E-02 Ex_ueg -0.6101591E-02 Ec_ueg -0.1210431E-02 Delta_ex -0.6830520E-02 Delta_ec 0.1630832E-02 Delta_et -0.1475603E-01 Pxc 0.5040840E+01 Qxc -0.4188365E+01 3,+1 75 3 +1 -0.532495 -1.675406 0.528771 Rho 0.8518120E-02 |GRAD(Rho)| 0.3421604E-13 GRAD(Rho)x 0.2774329E-13 GRAD(Rho)y 0.1473165E-13 GRAD(Rho)z 0.1356560E-13 Laplacian 0.3290758E-01 (-1/4)Del**2(Rho)) -0.8226895E-02 Diamond 0.8880294E-03 Metallicity 0.7439723E+00 Ellipticity -0.1477603E+01 Gb(Abramov) 0.6504694E-02 Vb(Abramov) -0.4782493E-02 Hb(Abramov) 0.1722201E-02 Ex_ueg -0.1284823E-02 Ec_ueg -0.3013181E-03 Delta_ex -0.1508286E-02 Delta_ec 0.4783708E-03 Delta_et -0.3249135E-02 Pxc 0.4264010E+01 Qxc -0.3152963E+01 3,+1 76 3 -1 -1.704559 -1.765700 -0.534392 Rho 0.4117483E-01 |GRAD(Rho)| 0.3056475E-12 GRAD(Rho)x -0.1580109E-12 GRAD(Rho)y -0.1807665E-12 GRAD(Rho)z 0.1891466E-12 Laplacian 0.1727155E+00 (-1/4)Del**2(Rho)) -0.4317888E-01 Diamond 0.6853915E-01 Metallicity 0.1958851E+01 Ellipticity 0.1087188E-01 Gb(Abramov) 0.4288275E-01 Vb(Abramov) -0.4258663E-01 Hb(Abramov) 0.2961249E-03 Ex_ueg -0.1050092E-01 Ec_ueg -0.1933197E-02 Delta_ex -0.1361554E-01 Delta_ec 0.5283042E-02 Delta_et -0.5293235E-01 Pxc 0.5431894E+01 Qxc -0.2577217E+01 3,-1 77 3 -1 -3.139695 -3.268691 0.070457 Rho 0.2415514E+00 |GRAD(Rho)| 0.9962297E-15 GRAD(Rho)x 0.7188803E-15 GRAD(Rho)y 0.6660254E-15 GRAD(Rho)z -0.1791509E-15 Laplacian 0.8591650E+00 (-1/4)Del**2(Rho)) -0.2147912E+00 Diamond 0.3079952E+01 Metallicity 0.7514253E+01 Ellipticity 0.2133697E-02 Gb(Abramov) 0.4121935E+00 Vb(Abramov) -0.6095957E+00 Hb(Abramov) -0.1974022E+00 Ex_ueg -0.1111044E+00 Ec_ueg -0.1454642E-01 Delta_ex -0.1040728E+00 Delta_ec 0.1910992E-01 Delta_et -0.2655037E+00 Pxc 0.7637917E+01 Qxc -0.5446006E+01 3,-1 78 3 -1 -2.741969 1.854756 -0.551694 Rho 0.1175806E+00 |GRAD(Rho)| 0.3686036E-15 GRAD(Rho)x -0.2496714E-16 GRAD(Rho)y -0.3264465E-15 GRAD(Rho)z -0.1693456E-15 Laplacian 0.4907248E+00 (-1/4)Del**2(Rho)) -0.1226812E+00 Diamond 0.7360735E+00 Metallicity 0.3962790E+01 Ellipticity 0.5271242E-02 Gb(Abramov) 0.1628141E+00 Vb(Abramov) -0.2029470E+00 Hb(Abramov) -0.4013291E-01 Ex_ueg -0.4254343E-01 Ec_ueg -0.6401812E-02 Delta_ex -0.4960169E-01 Delta_ec 0.1305075E-01 Delta_et -0.1669050E+00 Pxc 0.6645529E+01 Qxc -0.3800678E+01 3,-1 79 3 +3 2.337360 0.006085 -0.006506 Rho 0.4670300E-02 |GRAD(Rho)| 0.1167181E-12 GRAD(Rho)x 0.2827701E-13 GRAD(Rho)y 0.1097850E-12 GRAD(Rho)z -0.2776315E-13 Laplacian 0.1912925E-01 (-1/4)Del**2(Rho)) -0.4782313E-02 Diamond 0.1782472E-03 Metallicity 0.4700634E+00 Ellipticity -0.3152538E+00 Gb(Abramov) 0.3562874E-02 Vb(Abramov) -0.2343435E-02 Hb(Abramov) 0.1219439E-02 Ex_ueg -0.5765603E-03 Ec_ueg -0.1327522E-03 Delta_ex -0.7060634E-03 Delta_ec 0.1869832E-03 Delta_et -0.1163975E-02 Pxc 0.4343133E+01 Qxc -0.3776080E+01 3,+3 80 3 -1 -1.703799 1.762005 0.532464 Rho 0.4218239E-01 |GRAD(Rho)| 0.4573073E-16 GRAD(Rho)x 0.4123272E-16 GRAD(Rho)y -0.1858983E-16 GRAD(Rho)z -0.6751382E-17 Laplacian 0.1770245E+00 (-1/4)Del**2(Rho)) -0.4425613E-01 Diamond 0.7276809E-01 Metallicity 0.1989750E+01 Ellipticity 0.1146071E-01 Gb(Abramov) 0.4418052E-01 Vb(Abramov) -0.4410491E-01 Hb(Abramov) 0.7560692E-04 Ex_ueg -0.1084493E-01 Ec_ueg -0.1987535E-02 Delta_ex -0.1404818E-01 Delta_ec 0.5430633E-02 Delta_et -0.5476959E-01 Pxc 0.5456470E+01 Qxc -0.2586840E+01 3,-1 81 3 -1 -2.958317 2.040087 0.832857 Rho 0.1134205E+00 |GRAD(Rho)| 0.1219130E-15 GRAD(Rho)x -0.4753549E-16 GRAD(Rho)y 0.2011873E-16 GRAD(Rho)z -0.1104463E-15 Laplacian 0.4411984E+00 (-1/4)Del**2(Rho)) -0.1102996E+00 Diamond 0.6350986E+00 Metallicity 0.4150801E+01 Ellipticity 0.2622285E-01 Gb(Abramov) 0.1498383E+00 Vb(Abramov) -0.1893771E+00 Hb(Abramov) -0.3953874E-01 Ex_ueg -0.4054841E-01 Ec_ueg -0.6144955E-02 Delta_ex -0.4423509E-01 Delta_ec 0.1186771E-01 Delta_et -0.1508620E+00 Pxc 0.6598650E+01 Qxc -0.3727348E+01 3,-1 82 3 -1 -2.963551 -2.039846 -0.833145 Rho 0.1164150E+00 |GRAD(Rho)| 0.2562011E-15 GRAD(Rho)x 0.3465042E-16 GRAD(Rho)y 0.1062925E-15 GRAD(Rho)z -0.2305217E-15 Laplacian 0.4539323E+00 (-1/4)Del**2(Rho)) -0.1134831E+00 Diamond 0.6734775E+00 Metallicity 0.4213441E+01 Ellipticity 0.2919558E-01 Gb(Abramov) 0.1553478E+00 Vb(Abramov) -0.1972124E+00 Hb(Abramov) -0.4186468E-01 Ex_ueg -0.4198205E-01 Ec_ueg -0.6329721E-02 Delta_ex -0.4578377E-01 Delta_ec 0.1211782E-01 Delta_et -0.1547306E+00 Pxc 0.6632527E+01 Qxc -0.3778220E+01 3,-1 83 3 -1 -2.756967 -1.857743 0.554241 Rho 0.1208949E+00 |GRAD(Rho)| 0.6964589E-13 GRAD(Rho)x 0.1117888E-13 GRAD(Rho)y -0.5422105E-13 GRAD(Rho)z -0.4225707E-13 Laplacian 0.5051773E+00 (-1/4)Del**2(Rho)) -0.1262943E+00 Diamond 0.7831096E+00 Metallicity 0.4031959E+01 Ellipticity 0.4381130E-02 Gb(Abramov) 0.1690651E+00 Vb(Abramov) -0.2118359E+00 Hb(Abramov) -0.4277081E-01 Ex_ueg -0.4414984E-01 Ec_ueg -0.6607329E-02 Delta_ex -0.5139743E-01 Delta_ec 0.1333840E-01 Delta_et -0.1713898E+00 Pxc 0.6681950E+01 Qxc -0.3853342E+01 3,-1 84 3 +1 -1.354507 -2.168996 -1.099344 Rho 0.2769437E-01 |GRAD(Rho)| 0.4531578E-16 GRAD(Rho)x 0.5480651E-17 GRAD(Rho)y 0.4496131E-16 GRAD(Rho)z 0.1400949E-17 Laplacian 0.1114485E+00 (-1/4)Del**2(Rho)) -0.2786212E-01 Diamond 0.1688126E-01 Metallicity 0.1567442E+01 Ellipticity -0.3930323E+01 Gb(Abramov) 0.2585345E-01 Vb(Abramov) -0.2384479E-01 Hb(Abramov) 0.2008664E-02 Ex_ueg -0.6188333E-02 Ec_ueg -0.1225305E-02 Delta_ex -0.7133572E-02 Delta_ec 0.1907861E-02 Delta_et -0.1726172E-01 Pxc 0.5050442E+01 Qxc -0.3739043E+01 3,+1 85 3 +1 -1.672283 -0.558392 0.510930 Rho 0.8661502E-02 |GRAD(Rho)| 0.6525372E-17 GRAD(Rho)x 0.4726126E-17 GRAD(Rho)y 0.2322108E-17 GRAD(Rho)z -0.3853833E-17 Laplacian 0.3369742E-01 (-1/4)Del**2(Rho)) -0.8424356E-02 Diamond 0.9152987E-03 Metallicity 0.7470308E+00 Ellipticity -0.1457390E+01 Gb(Abramov) 0.6665113E-02 Vb(Abramov) -0.4905870E-02 Hb(Abramov) 0.1759243E-02 Ex_ueg -0.1313740E-02 Ec_ueg -0.3077327E-03 Delta_ex -0.1544313E-02 Delta_ec 0.4779319E-03 Delta_et -0.3269590E-02 Pxc 0.4269093E+01 Qxc -0.3231240E+01 3,+1 86 3 -1 -2.023915 -0.840055 -2.963558 Rho 0.1310593E+00 |GRAD(Rho)| 0.2245268E-09 GRAD(Rho)x 0.1263401E-09 GRAD(Rho)y -0.1549490E-09 GRAD(Rho)z -0.1021826E-09 Laplacian 0.5146377E+00 (-1/4)Del**2(Rho)) -0.1286594E+00 Diamond 0.8911078E+00 Metallicity 0.4527840E+01 Ellipticity 0.2415431E-01 Gb(Abramov) 0.1828645E+00 Vb(Abramov) -0.2370696E+00 Hb(Abramov) -0.5420507E-01 Ex_ueg -0.4916718E-01 Ec_ueg -0.7242297E-02 Delta_ex -0.5353091E-01 Delta_ec 0.1358613E-01 Delta_et -0.1773990E+00 Pxc 0.6788894E+01 Qxc -0.3940115E+01 3,-1 87 3 +1 -0.156523 0.152627 2.896818 Rho 0.5250394E-02 |GRAD(Rho)| 0.3541080E-14 GRAD(Rho)x -0.2360309E-14 GRAD(Rho)y 0.2633885E-14 GRAD(Rho)z 0.1756073E-15 Laplacian 0.2162310E-01 (-1/4)Del**2(Rho)) -0.5405776E-02 Diamond 0.5289935E-03 Metallicity 0.5054541E+00 Ellipticity -0.2994949E+01 Gb(Abramov) 0.4059246E-02 Vb(Abramov) -0.2712716E-02 Hb(Abramov) 0.1346530E-02 Ex_ueg -0.6739706E-03 Ec_ueg -0.1577042E-03 Delta_ex -0.1077035E-02 Delta_ec 0.6661385E-03 Delta_et -0.3677077E-02 Pxc 0.4273639E+01 Qxc -0.1616833E+01 3,+1 88 3 -1 -1.752166 -0.533790 -1.702729 Rho 0.4851898E-01 |GRAD(Rho)| 0.9523299E-13 GRAD(Rho)x -0.6706726E-13 GRAD(Rho)y 0.3150624E-13 GRAD(Rho)z -0.5982191E-13 Laplacian 0.1981018E+00 (-1/4)Del**2(Rho)) -0.4952546E-01 Diamond 0.9554556E-01 Metallicity 0.2245144E+01 Ellipticity 0.1244068E-01 Gb(Abramov) 0.5154893E-01 Vb(Abramov) -0.5357241E-01 Hb(Abramov) -0.2023476E-02 Ex_ueg -0.1306975E-01 Ec_ueg -0.2333174E-02 Delta_ex -0.1614502E-01 Delta_ec 0.5835444E-02 Delta_et -0.6103349E-01 Pxc 0.5601705E+01 Qxc -0.2766717E+01 3,-1 89 3 -1 -1.846115 -0.548651 2.738319 Rho 0.1255945E+00 |GRAD(Rho)| 0.3615982E-15 GRAD(Rho)x -0.2730970E-15 GRAD(Rho)y 0.2295392E-15 GRAD(Rho)z 0.5901787E-16 Laplacian 0.5262495E+00 (-1/4)Del**2(Rho)) -0.1315624E+00 Diamond 0.8660357E+00 Metallicity 0.4124513E+01 Ellipticity 0.1386717E-01 Gb(Abramov) 0.1781467E+00 Vb(Abramov) -0.2247310E+00 Hb(Abramov) -0.4658432E-01 Ex_ueg -0.4645288E-01 Ec_ueg -0.6900046E-02 Delta_ex -0.5418499E-01 Delta_ec 0.1404021E-01 Delta_et -0.1820500E+00 Pxc 0.6732257E+01 Qxc -0.3859271E+01 3,-1 90 3 +1 -0.516400 -0.553614 1.662384 Rho 0.8854336E-02 |GRAD(Rho)| 0.3660720E-15 GRAD(Rho)x -0.9888773E-16 GRAD(Rho)y 0.3099967E-15 GRAD(Rho)z -0.1677258E-15 Laplacian 0.3452486E-01 (-1/4)Del**2(Rho)) -0.8631215E-02 Diamond 0.9699726E-03 Metallicity 0.7563821E+00 Ellipticity -0.1468962E+01 Gb(Abramov) 0.6842226E-02 Vb(Abramov) -0.5053237E-02 Hb(Abramov) 0.1788989E-02 Ex_ueg -0.1352881E-02 Ec_ueg -0.3163741E-03 Delta_ex -0.1592652E-02 Delta_ec 0.4924733E-03 Delta_et -0.3385974E-02 Pxc 0.4276208E+01 Qxc -0.3233986E+01 3,+1 91 3 -1 -1.845047 0.551689 -2.747161 Rho 0.1251087E+00 |GRAD(Rho)| 0.5221514E-14 GRAD(Rho)x 0.3979862E-14 GRAD(Rho)y 0.3056664E-14 GRAD(Rho)z 0.1442812E-14 Laplacian 0.5235194E+00 (-1/4)Del**2(Rho)) -0.1308799E+00 Diamond 0.8580088E+00 Metallicity 0.4119325E+01 Ellipticity 0.1561734E-01 Gb(Abramov) 0.1771094E+00 Vb(Abramov) -0.2233389E+00 Hb(Abramov) -0.4622950E-01 Ex_ueg -0.4621344E-01 Ec_ueg -0.6869715E-02 Delta_ex -0.5385983E-01 Delta_ec 0.1399079E-01 Delta_et -0.1813088E+00 Pxc 0.6727127E+01 Qxc -0.3849664E+01 3,-1 92 3 -1 -1.760481 0.528165 1.697388 Rho 0.4986927E-01 |GRAD(Rho)| 0.1519482E-16 GRAD(Rho)x -0.2748622E-17 GRAD(Rho)y -0.2854925E-17 GRAD(Rho)z -0.1466892E-16 Laplacian 0.2041816E+00 (-1/4)Del**2(Rho)) -0.5104539E-01 Diamond 0.1024691E+00 Metallicity 0.2280263E+01 Ellipticity 0.1461798E-01 Gb(Abramov) 0.5342975E-01 Vb(Abramov) -0.5581411E-01 Hb(Abramov) -0.2384357E-02 Ex_ueg -0.1355696E-01 Ec_ueg -0.2407649E-02 Delta_ex -0.1676671E-01 Delta_ec 0.6032307E-02 Delta_et -0.6355142E-01 Pxc 0.5630789E+01 Qxc -0.2779485E+01 3,-1 93 3 -1 -0.472053 0.463135 0.477398 Rho 0.1876936E+00 |GRAD(Rho)| 0.9451154E-12 GRAD(Rho)x -0.3557085E-12 GRAD(Rho)y -0.5356722E-12 GRAD(Rho)z -0.6926543E-12 Laplacian 0.5195644E+00 (-1/4)Del**2(Rho)) -0.1298911E+00 Diamond 0.1403873E+01 Metallicity 0.8160614E+01 Ellipticity 0.2997153E-02 Gb(Abramov) 0.2632593E+00 Vb(Abramov) -0.3966274E+00 Hb(Abramov) -0.1333682E+00 Ex_ueg -0.7936902E-01 Ec_ueg -0.1089872E-01 Delta_ex -0.5919475E-01 Delta_ec 0.1278211E-01 Delta_et -0.1758065E+00 Pxc 0.7282417E+01 Qxc -0.4631063E+01 3,-1 94 3 +1 0.143355 2.896680 -0.154037 Rho 0.5322029E-02 |GRAD(Rho)| 0.1637719E-15 GRAD(Rho)x 0.8395717E-16 GRAD(Rho)y -0.1234044E-15 GRAD(Rho)z -0.6740755E-16 Laplacian 0.2168821E-01 (-1/4)Del**2(Rho)) -0.5422052E-02 Diamond 0.5455825E-03 Metallicity 0.5154480E+00 Ellipticity -0.3543376E+01 Gb(Abramov) 0.4080499E-02 Vb(Abramov) -0.2738946E-02 Hb(Abramov) 0.1341553E-02 Ex_ueg -0.6862589E-03 Ec_ueg -0.1607972E-03 Delta_ex -0.1087626E-02 Delta_ec 0.6761331E-03 Delta_et -0.3744137E-02 Pxc 0.4267853E+01 Qxc -0.1608598E+01 3,+1 95 3 -1 -1.780874 -2.813939 0.573967 Rho 0.1486695E+00 |GRAD(Rho)| 0.2366826E-15 GRAD(Rho)x -0.1543226E-15 GRAD(Rho)y -0.1681699E-15 GRAD(Rho)z 0.6262623E-16 Laplacian 0.6215402E+00 (-1/4)Del**2(Rho)) -0.1553851E+00 Diamond 0.1221374E+01 Metallicity 0.4625733E+01 Ellipticity 0.2711301E-01 Gb(Abramov) 0.2233850E+00 Vb(Abramov) -0.2913850E+00 Hb(Abramov) -0.6799995E-01 Ex_ueg -0.5816759E-01 Ec_ueg -0.8358400E-02 Delta_ex -0.6635192E-01 Delta_ec 0.1535898E-01 Delta_et -0.2031887E+00 Pxc 0.6959177E+01 Qxc -0.4320073E+01 3,-1 96 3 +1 -0.170539 -2.893438 -0.170692 Rho 0.5324553E-02 |GRAD(Rho)| 0.2854073E-14 GRAD(Rho)x -0.2086322E-14 GRAD(Rho)y -0.1639642E-15 GRAD(Rho)z -0.1940646E-14 Laplacian 0.2203049E-01 (-1/4)Del**2(Rho)) -0.5507622E-02 Diamond 0.5425528E-03 Metallicity 0.5078408E+00 Ellipticity -0.2764350E+01 Gb(Abramov) 0.4137914E-02 Vb(Abramov) -0.2768206E-02 Hb(Abramov) 0.1369708E-02 Ex_ueg -0.6866930E-03 Ec_ueg -0.1609063E-03 Delta_ex -0.1094652E-02 Delta_ec 0.6685193E-03 Delta_et -0.3709913E-02 Pxc 0.4267658E+01 Qxc -0.1637428E+01 3,+1 97 3 +3 0.022140 0.036591 -2.327323 Rho 0.4667816E-02 |GRAD(Rho)| 0.1953312E-12 GRAD(Rho)x 0.1870468E-12 GRAD(Rho)y 0.4020902E-13 GRAD(Rho)z 0.3938265E-13 Laplacian 0.1907956E-01 (-1/4)Del**2(Rho)) -0.4769889E-02 Diamond 0.1749482E-03 Metallicity 0.4708700E+00 Ellipticity -0.3257930E+00 Gb(Abramov) 0.3554259E-02 Vb(Abramov) -0.2338629E-02 Hb(Abramov) 0.1215630E-02 Ex_ueg -0.5761514E-03 Ec_ueg -0.1326457E-03 Delta_ex -0.7013786E-03 Delta_ec 0.1815778E-03 Delta_et -0.1136632E-02 Pxc 0.4343537E+01 Qxc -0.3862690E+01 3,+3 98 3 +1 0.159003 -2.895237 0.167235 Rho 0.5324428E-02 |GRAD(Rho)| 0.6368540E-17 GRAD(Rho)x 0.4780201E-17 GRAD(Rho)y 0.1946593E-17 GRAD(Rho)z -0.3730786E-17 Laplacian 0.2187525E-01 (-1/4)Del**2(Rho)) -0.5468813E-02 Diamond 0.5329817E-03 Metallicity 0.5114246E+00 Ellipticity -0.2730753E+01 Gb(Abramov) 0.4112023E-02 Vb(Abramov) -0.2755233E-02 Hb(Abramov) 0.1356790E-02 Ex_ueg -0.6866714E-03 Ec_ueg -0.1609008E-03 Delta_ex -0.1082040E-02 Delta_ec 0.6550714E-03 Delta_et -0.3638897E-02 Pxc 0.4267668E+01 Qxc -0.1651789E+01 3,+1 99 3 -1 0.029193 2.901525 -0.034866 Rho 0.5335229E-02 |GRAD(Rho)| 0.1896671E-17 GRAD(Rho)x -0.1477226E-17 GRAD(Rho)y 0.8090487E-18 GRAD(Rho)z -0.8721253E-18 Laplacian 0.2132945E-01 (-1/4)Del**2(Rho)) -0.5332363E-02 Diamond 0.6216539E-03 Metallicity 0.5262861E+00 Ellipticity 0.3331115E+01 Gb(Abramov) 0.4022633E-02 Vb(Abramov) -0.2712904E-02 Hb(Abramov) 0.1309729E-02 Ex_ueg -0.6885294E-03 Ec_ueg -0.1613675E-03 Delta_ex -0.1141096E-02 Delta_ec 0.7916108E-03 Delta_et -0.4335530E-02 Pxc 0.4266841E+01 Qxc -0.1441486E+01 3,-1 100 3 +3 -0.033571 2.326205 0.020306 Rho 0.4634771E-02 |GRAD(Rho)| 0.2415992E-16 GRAD(Rho)x 0.1250014E-16 GRAD(Rho)y -0.1912779E-16 GRAD(Rho)z -0.7847016E-17 Laplacian 0.1884682E-01 (-1/4)Del**2(Rho)) -0.4711705E-02 Diamond 0.1714097E-03 Metallicity 0.4710736E+00 Ellipticity -0.3393821E+00 Gb(Abramov) 0.3511064E-02 Vb(Abramov) -0.2310422E-02 Hb(Abramov) 0.1200642E-02 Ex_ueg -0.5707195E-03 Ec_ueg -0.1312295E-03 Delta_ex -0.6918312E-03 Delta_ec 0.1798286E-03 Delta_et -0.1123123E-02 Pxc 0.4349018E+01 Qxc -0.3847170E+01 3,+3 101 3 -1 0.541165 -1.709355 1.763554 Rho 0.4293837E-01 |GRAD(Rho)| 0.8849147E-16 GRAD(Rho)x -0.3326817E-16 GRAD(Rho)y -0.1788235E-16 GRAD(Rho)z 0.8002619E-16 Laplacian 0.1807431E+00 (-1/4)Del**2(Rho)) -0.4518577E-01 Diamond 0.7611059E-01 Metallicity 0.2007370E+01 Ellipticity 0.9018489E-02 Gb(Abramov) 0.4524127E-01 Vb(Abramov) -0.4529678E-01 Hb(Abramov) -0.5550437E-04 Ex_ueg -0.1110484E-01 Ec_ueg -0.2028422E-02 Delta_ex -0.1440635E-01 Delta_ec 0.5543918E-02 Delta_et -0.5618012E-01 Pxc 0.5474623E+01 Qxc -0.2598587E+01 3,-1 102 3 -1 -1.772160 2.818115 -0.577303 Rho 0.1492969E+00 |GRAD(Rho)| 0.1063658E-14 GRAD(Rho)x -0.8560454E-15 GRAD(Rho)y -0.1899522E-15 GRAD(Rho)z 0.6020575E-15 Laplacian 0.6240574E+00 (-1/4)Del**2(Rho)) -0.1560144E+00 Diamond 0.1233067E+01 Metallicity 0.4639521E+01 Ellipticity 0.2728813E-01 Gb(Abramov) 0.2246482E+00 Vb(Abramov) -0.2932821E+00 Hb(Abramov) -0.6863386E-01 Ex_ueg -0.5849508E-01 Ec_ueg -0.8398519E-02 Delta_ex -0.6669528E-01 Delta_ec 0.1541433E-01 Delta_et -0.2040575E+00 Pxc 0.6964928E+01 Qxc -0.4326835E+01 3,-1 103 3 -1 -1.956289 3.023798 0.864132 Rho 0.1429732E+00 |GRAD(Rho)| 0.6877479E-15 GRAD(Rho)x -0.6671909E-15 GRAD(Rho)y -0.6007835E-16 GRAD(Rho)z -0.1557050E-15 Laplacian 0.5562736E+00 (-1/4)Del**2(Rho)) -0.1390684E+00 Diamond 0.1056943E+01 Metallicity 0.4842642E+01 Ellipticity 0.6042371E-01 Gb(Abramov) 0.2049553E+00 Vb(Abramov) -0.2708423E+00 Hb(Abramov) -0.6588693E-01 Ex_ueg -0.5521509E-01 Ec_ueg -0.7995224E-02 Delta_ex -0.5896371E-01 Delta_ec 0.1414515E-01 Delta_et -0.1867166E+00 Pxc 0.6906009E+01 Qxc -0.4168474E+01 3,-1 104 3 +1 -1.306808 -1.140265 -2.177047 Rho 0.2954222E-01 |GRAD(Rho)| 0.1516744E-15 GRAD(Rho)x -0.1169420E-15 GRAD(Rho)y 0.5313858E-16 GRAD(Rho)z -0.8065974E-16 Laplacian 0.1205907E+00 (-1/4)Del**2(Rho)) -0.3014767E-01 Diamond 0.2091425E-01 Metallicity 0.1613261E+01 Ellipticity -0.6244568E+01 Gb(Abramov) 0.2820446E-01 Vb(Abramov) -0.2626124E-01 Hb(Abramov) 0.1943212E-02 Ex_ueg -0.6744907E-02 Ec_ueg -0.1320019E-02 Delta_ex -0.7936466E-02 Delta_ec 0.2211525E-02 Delta_et -0.2030641E-01 Pxc 0.5109705E+01 Qxc -0.3588684E+01 3,+1 105 3 +1 -1.109934 2.160438 1.365964 Rho 0.2694059E-01 |GRAD(Rho)| 0.3667307E-13 GRAD(Rho)x 0.1579068E-13 GRAD(Rho)y 0.1858694E-13 GRAD(Rho)z 0.2738785E-13 Laplacian 0.1088973E+00 (-1/4)Del**2(Rho)) -0.2722433E-01 Diamond 0.1693102E-01 Metallicity 0.1532055E+01 Ellipticity -0.5947922E+01 Gb(Abramov) 0.2510108E-01 Vb(Abramov) -0.2297783E-01 Hb(Abramov) 0.2123248E-02 Ex_ueg -0.5964780E-02 Ec_ueg -0.1186907E-02 Delta_ex -0.7022221E-02 Delta_ec 0.2048709E-02 Delta_et -0.1838047E-01 Pxc 0.5025481E+01 Qxc -0.3427632E+01 3,+1 106 3 +1 -0.127419 -0.110951 -2.896387 Rho 0.5367095E-02 |GRAD(Rho)| 0.1637931E-15 GRAD(Rho)x -0.1128030E-15 GRAD(Rho)y -0.1186423E-15 GRAD(Rho)z 0.5262114E-17 Laplacian 0.2181804E-01 (-1/4)Del**2(Rho)) -0.5454510E-02 Diamond 0.5767193E-03 Metallicity 0.5196324E+00 Ellipticity -0.5683540E+01 Gb(Abramov) 0.4108730E-02 Vb(Abramov) -0.2762950E-02 Hb(Abramov) 0.1345780E-02 Ex_ueg -0.6940180E-03 Ec_ueg -0.1627444E-03 Delta_ex -0.1114201E-02 Delta_ec 0.7127791E-03 Delta_et -0.3943851E-02 Pxc 0.4264465E+01 Qxc -0.1563178E+01 3,+1 107 3 +1 2.171674 1.100641 -1.350493 Rho 0.2839866E-01 |GRAD(Rho)| 0.3026920E-16 GRAD(Rho)x 0.2371732E-16 GRAD(Rho)y 0.2306568E-18 GRAD(Rho)z -0.1880585E-16 Laplacian 0.1153138E+00 (-1/4)Del**2(Rho)) -0.2882846E-01 Diamond 0.1825109E-01 Metallicity 0.1579653E+01 Ellipticity -0.4189208E+01 Gb(Abramov) 0.2680880E-01 Vb(Abramov) -0.2478914E-01 Hb(Abramov) 0.2019662E-02 Ex_ueg -0.6399051E-02 Ec_ueg -0.1261308E-02 Delta_ex -0.7446490E-02 Delta_ec 0.2001759E-02 Delta_et -0.1821732E-01 Pxc 0.5073345E+01 Qxc -0.3719973E+01 3,+1 108 3 +1 -1.126410 1.316102 2.181145 Rho 0.2828008E-01 |GRAD(Rho)| 0.1924351E-16 GRAD(Rho)x 0.3024094E-18 GRAD(Rho)y 0.1214252E-16 GRAD(Rho)z -0.1492583E-16 Laplacian 0.1153616E+00 (-1/4)Del**2(Rho)) -0.2884039E-01 Diamond 0.1874391E-01 Metallicity 0.1568026E+01 Ellipticity -0.5181599E+01 Gb(Abramov) 0.2676401E-01 Vb(Abramov) -0.2468762E-01 Hb(Abramov) 0.2076385E-02 Ex_ueg -0.6363450E-02 Ec_ueg -0.1255238E-02 Delta_ex -0.7495596E-02 Delta_ec 0.2099683E-02 Delta_et -0.1907603E-01 Pxc 0.5069517E+01 Qxc -0.3569871E+01 3,+1 109 3 -1 -0.847982 -2.966868 -2.027989 Rho 0.1360881E+00 |GRAD(Rho)| 0.3565378E-15 GRAD(Rho)x 0.1913075E-15 GRAD(Rho)y 0.1977991E-16 GRAD(Rho)z -0.3002156E-15 Laplacian 0.5341274E+00 (-1/4)Del**2(Rho)) -0.1335319E+00 Diamond 0.9687449E+00 Metallicity 0.4645174E+01 Ellipticity 0.2992440E-01 Gb(Abramov) 0.1924010E+00 Vb(Abramov) -0.2512702E+00 Hb(Abramov) -0.5886917E-01 Ex_ueg -0.5169859E-01 Ec_ueg -0.7558992E-02 Delta_ex -0.5607831E-01 Delta_ec 0.1399597E-01 Delta_et -0.1838959E+00 Pxc 0.6839350E+01 Qxc -0.4006747E+01 3,-1 110 3 +3 -0.015459 -2.325144 -0.002407 Rho 0.4670741E-02 |GRAD(Rho)| 0.4380389E-17 GRAD(Rho)x 0.2623500E-18 GRAD(Rho)y 0.4142102E-17 GRAD(Rho)z -0.1400703E-17 Laplacian 0.1908124E-01 (-1/4)Del**2(Rho)) -0.4770311E-02 Diamond 0.1753715E-03 Metallicity 0.4713202E+00 Ellipticity -0.3025797E+00 Gb(Abramov) 0.3554932E-02 Vb(Abramov) -0.2339552E-02 Hb(Abramov) 0.1215380E-02 Ex_ueg -0.5766329E-03 Ec_ueg -0.1327711E-03 Delta_ex -0.7018159E-03 Delta_ec 0.1820640E-03 Delta_et -0.1139215E-02 Pxc 0.4343061E+01 Qxc -0.3854776E+01 3,+3 111 3 -1 -0.545522 -2.753838 1.853043 Rho 0.1134754E+00 |GRAD(Rho)| 0.1855758E-15 GRAD(Rho)x 0.1653273E-15 GRAD(Rho)y 0.6187237E-16 GRAD(Rho)z 0.5724587E-16 Laplacian 0.4695673E+00 (-1/4)Del**2(Rho)) -0.1173918E+00 Diamond 0.6754694E+00 Metallicity 0.3903178E+01 Ellipticity 0.7565638E-02 Gb(Abramov) 0.1546281E+00 Vb(Abramov) -0.1918643E+00 Hb(Abramov) -0.3723625E-01 Ex_ueg -0.4057459E-01 Ec_ueg -0.6148338E-02 Delta_ex -0.4707238E-01 Delta_ec 0.1260721E-01 Delta_et -0.1602428E+00 Pxc 0.6599278E+01 Qxc -0.3733766E+01 3,-1 112 3 -1 -0.864256 1.950649 3.025728 Rho 0.1414946E+00 |GRAD(Rho)| 0.6049292E-15 GRAD(Rho)x -0.4190170E-15 GRAD(Rho)y -0.3999622E-15 GRAD(Rho)z 0.1743397E-15 Laplacian 0.5539189E+00 (-1/4)Del**2(Rho)) -0.1384797E+00 Diamond 0.1037899E+01 Metallicity 0.4779696E+01 Ellipticity 0.6073094E-01 Gb(Abramov) 0.2026350E+00 Vb(Abramov) -0.2667902E+00 Hb(Abramov) -0.6415525E-01 Ex_ueg -0.5445507E-01 Ec_ueg -0.7901291E-02 Delta_ex -0.5854879E-01 Delta_ec 0.1409228E-01 Delta_et -0.1856749E+00 Pxc 0.6891921E+01 Qxc -0.4154670E+01 3,-1 113 3 -1 -0.568943 -1.778139 2.803097 Rho 0.1436237E+00 |GRAD(Rho)| 0.2707547E-15 GRAD(Rho)x 0.2604254E-15 GRAD(Rho)y 0.9256376E-17 GRAD(Rho)z -0.7349197E-16 Laplacian 0.6046992E+00 (-1/4)Del**2(Rho)) -0.1511748E+00 Diamond 0.1142333E+01 Metallicity 0.4488664E+01 Ellipticity 0.2277979E-01 Gb(Abramov) 0.2138787E+00 Vb(Abramov) -0.2765826E+00 Hb(Abramov) -0.6270388E-01 Ex_ueg -0.5555030E-01 Ec_ueg -0.8036594E-02 Delta_ex -0.6403179E-01 Delta_ec 0.1511619E-01 Delta_et -0.1991338E+00 Pxc 0.6912169E+01 Qxc -0.4235974E+01 3,-1 114 3 -1 0.548592 -2.744001 -1.836725 Rho 0.1326066E+00 |GRAD(Rho)| 0.1088215E-13 GRAD(Rho)x -0.6779326E-14 GRAD(Rho)y 0.1829218E-14 GRAD(Rho)z -0.8313594E-14 Laplacian 0.5586285E+00 (-1/4)Del**2(Rho)) -0.1396571E+00 Diamond 0.9800315E+00 Metallicity 0.4253685E+01 Ellipticity 0.1061244E-01 Gb(Abramov) 0.1921143E+00 Vb(Abramov) -0.2445715E+00 Hb(Abramov) -0.5245720E-01 Ex_ueg -0.4994269E-01 Ec_ueg -0.7339566E-02 Delta_ex -0.5825985E-01 Delta_ec 0.1468549E-01 Delta_et -0.1920785E+00 Pxc 0.6804584E+01 Qxc -0.3967170E+01 3,-1 115 3 -1 -0.868529 -1.945848 -3.016050 Rho 0.1504021E+00 |GRAD(Rho)| 0.4322018E-15 GRAD(Rho)x -0.3692250E-15 GRAD(Rho)y 0.2219226E-15 GRAD(Rho)z -0.3495197E-16 Laplacian 0.5923930E+00 (-1/4)Del**2(Rho)) -0.1480982E+00 Diamond 0.1207350E+01 Metallicity 0.4947961E+01 Ellipticity 0.4727917E-01 Gb(Abramov) 0.2208629E+00 Vb(Abramov) -0.2936275E+00 Hb(Abramov) -0.7276464E-01 Ex_ueg -0.5907315E-01 Ec_ueg -0.8469257E-02 Delta_ex -0.6368908E-01 Delta_ec 0.1507354E-01 Delta_et -0.2008564E+00 Pxc 0.6975010E+01 Qxc -0.4225223E+01 3,-1 116 3 +1 0.182052 -0.181431 2.900452 Rho 0.5222912E-02 |GRAD(Rho)| 0.5211671E-17 GRAD(Rho)x 0.4926966E-17 GRAD(Rho)y 0.1670296E-17 GRAD(Rho)z 0.3108504E-18 Laplacian 0.2161239E-01 (-1/4)Del**2(Rho)) -0.5403098E-02 Diamond 0.5113714E-03 Metallicity 0.5013006E+00 Ellipticity -0.2497753E+01 Gb(Abramov) 0.4053495E-02 Vb(Abramov) -0.2703892E-02 Hb(Abramov) 0.1349603E-02 Ex_ueg -0.6692711E-03 Ec_ueg -0.1565182E-03 Delta_ex -0.1063445E-02 Delta_ec 0.6444705E-03 Delta_et -0.3560659E-02 Pxc 0.4275995E+01 Qxc -0.1650106E+01 3,+1 117 3 -1 -0.839747 2.958985 2.043444 Rho 0.1205285E+00 |GRAD(Rho)| 0.3599231E-15 GRAD(Rho)x 0.2958449E-15 GRAD(Rho)y 0.9684636E-16 GRAD(Rho)z 0.1806687E-15 Laplacian 0.4675569E+00 (-1/4)Del**2(Rho)) -0.1168892E+00 Diamond 0.7251185E+00 Metallicity 0.4334396E+01 Ellipticity 0.3471163E-01 Gb(Abramov) 0.1623668E+00 Vb(Abramov) -0.2078444E+00 Hb(Abramov) -0.4547762E-01 Ex_ueg -0.4397153E-01 Ec_ueg -0.6584573E-02 Delta_ex -0.4757489E-01 Delta_ec 0.1242455E-01 Delta_et -0.1596831E+00 Pxc 0.6677963E+01 Qxc -0.3829104E+01 3,-1 118 3 +1 1.675521 -0.521323 -0.544432 Rho 0.8811985E-02 |GRAD(Rho)| 0.1201229E-12 GRAD(Rho)x 0.7031126E-13 GRAD(Rho)y 0.6709973E-13 GRAD(Rho)z 0.7059359E-13 Laplacian 0.3414502E-01 (-1/4)Del**2(Rho)) -0.8536256E-02 Diamond 0.9457010E-03 Metallicity 0.7587092E+00 Ellipticity -0.1465036E+01 Gb(Abramov) 0.6770260E-02 Vb(Abramov) -0.5004264E-02 Hb(Abramov) 0.1765996E-02 Ex_ueg -0.1344260E-02 Ec_ueg -0.3144749E-03 Delta_ex -0.1570012E-02 Delta_ec 0.4813305E-03 Delta_et -0.3309830E-02 Pxc 0.4274620E+01 Qxc -0.3261818E+01 3,+1 119 3 -1 -0.463861 -0.465994 -0.476912 Rho 0.1857403E+00 |GRAD(Rho)| 0.4071540E-15 GRAD(Rho)x 0.2844947E-15 GRAD(Rho)y -0.6245005E-16 GRAD(Rho)z -0.2844947E-15 Laplacian 0.5121584E+00 (-1/4)Del**2(Rho)) -0.1280396E+00 Diamond 0.1367929E+01 Metallicity 0.8135525E+01 Ellipticity 0.3294857E-02 Gb(Abramov) 0.2589713E+00 Vb(Abramov) -0.3899030E+00 Hb(Abramov) -0.1309317E+00 Ex_ueg -0.7826960E-01 Ec_ueg -0.1076946E-01 Delta_ex -0.5820768E-01 Delta_ec 0.1265267E-01 Delta_et -0.1738879E+00 Pxc 0.7267736E+01 Qxc -0.4600428E+01 3,-1 120 3 +3 0.023842 -0.018329 2.331077 Rho 0.4599535E-02 |GRAD(Rho)| 0.1121900E-14 GRAD(Rho)x 0.5412837E-15 GRAD(Rho)y -0.5317607E-15 GRAD(Rho)z -0.8263793E-15 Laplacian 0.1876851E-01 (-1/4)Del**2(Rho)) -0.4692128E-02 Diamond 0.1712258E-03 Metallicity 0.4670606E+00 Ellipticity -0.3301284E+00 Gb(Abramov) 0.3493337E-02 Vb(Abramov) -0.2294545E-02 Hb(Abramov) 0.1198791E-02 Ex_ueg -0.5649418E-03 Ec_ueg -0.1297201E-03 Delta_ex -0.6899937E-03 Delta_ec 0.1833194E-03 Delta_et -0.1137110E-02 Pxc 0.4355083E+01 Qxc -0.3763888E+01 3,+3 121 3 -1 -0.057455 -0.042290 -2.899756 Rho 0.5369928E-02 |GRAD(Rho)| 0.6133573E-17 GRAD(Rho)x -0.5969053E-17 GRAD(Rho)y 0.1410900E-17 GRAD(Rho)z 0.2185835E-19 Laplacian 0.2157775E-01 (-1/4)Del**2(Rho)) -0.5394438E-02 Diamond 0.6224105E-03 Metallicity 0.5258814E+00 Ellipticity 0.5407261E+01 Gb(Abramov) 0.4069097E-02 Vb(Abramov) -0.2743757E-02 Hb(Abramov) 0.1325340E-02 Ex_ueg -0.6945066E-03 Ec_ueg -0.1628669E-03 Delta_ex -0.1145638E-02 Delta_ec 0.7827661E-03 Delta_et -0.4301707E-02 Pxc 0.4264259E+01 Qxc -0.1463576E+01 3,-1 122 3 +1 0.546336 0.523942 1.675573 Rho 0.8576267E-02 |GRAD(Rho)| 0.1504222E-16 GRAD(Rho)x 0.1292464E-16 GRAD(Rho)y -0.5077764E-18 GRAD(Rho)z 0.7678804E-17 Laplacian 0.3297273E-01 (-1/4)Del**2(Rho)) -0.8243182E-02 Diamond 0.8947484E-03 Metallicity 0.7509691E+00 Ellipticity -0.1482151E+01 Gb(Abramov) 0.6527184E-02 Vb(Abramov) -0.4811186E-02 Hb(Abramov) 0.1715998E-02 Ex_ueg -0.1296531E-02 Ec_ueg -0.3039184E-03 Delta_ex -0.1512357E-02 Delta_ec 0.4766349E-03 Delta_et -0.3245174E-02 Pxc 0.4266049E+01 Qxc -0.3172990E+01 3,+1 123 3 -1 -0.005352 -2.898998 -0.002417 Rho 0.5359864E-02 |GRAD(Rho)| 0.1522419E-16 GRAD(Rho)x 0.1031907E-16 GRAD(Rho)y -0.7816699E-18 GRAD(Rho)z -0.1116610E-16 Laplacian 0.2150358E-01 (-1/4)Del**2(Rho)) -0.5375895E-02 Diamond 0.6355892E-03 Metallicity 0.5260480E+00 Ellipticity 0.2962333E+01 Gb(Abramov) 0.4055260E-02 Vb(Abramov) -0.2734625E-02 Hb(Abramov) 0.1320635E-02 Ex_ueg -0.6927716E-03 Ec_ueg -0.1624319E-03 Delta_ex -0.1155590E-02 Delta_ec 0.8055830E-03 Delta_et -0.4415696E-02 Pxc 0.4264996E+01 Qxc -0.1434477E+01 3,-1 124 3 -1 -0.059680 -3.136073 3.265972 Rho 0.2412403E+00 |GRAD(Rho)| 0.5167144E-15 GRAD(Rho)x -0.1116999E-15 GRAD(Rho)y -0.1524930E-15 GRAD(Rho)z 0.4808979E-15 Laplacian 0.8623541E+00 (-1/4)Del**2(Rho)) -0.2155885E+00 Diamond 0.3082891E+01 Metallicity 0.7470403E+01 Ellipticity 0.1023028E-02 Gb(Abramov) 0.4121479E+00 Vb(Abramov) -0.6087072E+00 Hb(Abramov) -0.1965594E+00 Ex_ueg -0.1109136E+00 Ec_ueg -0.1452490E-01 Delta_ex -0.1044044E+00 Delta_ec 0.1915323E-01 Delta_et -0.2659389E+00 Pxc 0.7636105E+01 Qxc -0.5451006E+01 3,-1 125 3 -1 0.058539 -3.140203 -3.252131 Rho 0.2519085E+00 |GRAD(Rho)| 0.3563757E-15 GRAD(Rho)x -0.2936019E-15 GRAD(Rho)y 0.1293453E-15 GRAD(Rho)z 0.1551493E-15 Laplacian 0.9198524E+00 (-1/4)Del**2(Rho)) -0.2299631E+00 Diamond 0.3432046E+01 Metallicity 0.7527192E+01 Ellipticity 0.1587150E-02 Gb(Abramov) 0.4418048E+00 Vb(Abramov) -0.6536465E+00 Hb(Abramov) -0.2118417E+00 Ex_ueg -0.1175011E+00 Ec_ueg -0.1526619E-01 Delta_ex -0.1124730E+00 Delta_ec 0.1988006E-01 Delta_et -0.2750481E+00 Pxc 0.7696820E+01 Qxc -0.5657579E+01 3,-1 126 3 +1 0.512418 1.657581 0.558711 Rho 0.8973266E-02 |GRAD(Rho)| 0.2188216E-17 GRAD(Rho)x -0.6174870E-18 GRAD(Rho)y -0.1785122E-18 GRAD(Rho)z -0.2091682E-17 Laplacian 0.3480415E-01 (-1/4)Del**2(Rho)) -0.8701037E-02 Diamond 0.9929539E-03 Metallicity 0.7671843E+00 Ellipticity -0.1477614E+01 Gb(Abramov) 0.6913241E-02 Vb(Abramov) -0.5125446E-02 Hb(Abramov) 0.1787796E-02 Ex_ueg -0.1377164E-02 Ec_ueg -0.3217118E-03 Delta_ex -0.1609774E-02 Delta_ec 0.4943179E-03 Delta_et -0.3412041E-02 Pxc 0.4280739E+01 Qxc -0.3256557E+01 3,+1 127 3 +3 1.111134 1.097712 1.135725 Rho 0.5191973E-02 |GRAD(Rho)| 0.5953315E-17 GRAD(Rho)x 0.5677741E-17 GRAD(Rho)y 0.7100932E-18 GRAD(Rho)z 0.1643466E-17 Laplacian 0.2011484E-01 (-1/4)Del**2(Rho)) -0.5028710E-02 Diamond 0.1467268E-03 Metallicity 0.5333152E+00 Ellipticity -0.4409351E-01 Gb(Abramov) 0.3799454E-02 Vb(Abramov) -0.2570199E-02 Hb(Abramov) 0.1229255E-02 Ex_ueg -0.6639901E-03 Ec_ueg -0.1551835E-03 Delta_ex -0.7012239E-03 Delta_ec 0.8673948E-04 Delta_et -0.6964842E-03 Pxc 0.4278741E+01 Qxc -0.8084253E+01 3,+3 128 3 -1 -0.011753 0.009200 2.902444 Rho 0.5274167E-02 |GRAD(Rho)| 0.3685439E-17 GRAD(Rho)x 0.2280843E-17 GRAD(Rho)y 0.2874684E-17 GRAD(Rho)z -0.3411885E-18 Laplacian 0.2118160E-01 (-1/4)Del**2(Rho)) -0.5295399E-02 Diamond 0.6160082E-03 Metallicity 0.5198894E+00 Ellipticity 0.2956537E+01 Gb(Abramov) 0.3989103E-02 Vb(Abramov) -0.2682807E-02 Hb(Abramov) 0.1306296E-02 Ex_ueg -0.6780425E-03 Ec_ueg -0.1587304E-03 Delta_ex -0.1137835E-02 Delta_ec 0.7986854E-03 Delta_et -0.4354680E-02 Pxc 0.4271663E+01 Qxc -0.1424635E+01 3,-1 129 3 -1 -0.536153 1.694902 1.772338 Rho 0.4295835E-01 |GRAD(Rho)| 0.4566151E-16 GRAD(Rho)x 0.2381994E-16 GRAD(Rho)y -0.4004136E-17 GRAD(Rho)z 0.3874985E-16 Laplacian 0.1807386E+00 (-1/4)Del**2(Rho)) -0.4518466E-01 Diamond 0.7611385E-01 Metallicity 0.2008976E+01 Ellipticity 0.1454018E-01 Gb(Abramov) 0.4525225E-01 Vb(Abramov) -0.4531985E-01 Hb(Abramov) -0.6759653E-04 Ex_ueg -0.1111173E-01 Ec_ueg -0.2029503E-02 Delta_ex -0.1440539E-01 Delta_ec 0.5539714E-02 Delta_et -0.5614389E-01 Pxc 0.5475099E+01 Qxc -0.2600385E+01 3,-1 130 3 -1 -0.570325 1.781977 -2.813999 Rho 0.1445291E+00 |GRAD(Rho)| 0.1642237E-13 GRAD(Rho)x -0.2488027E-14 GRAD(Rho)y -0.1428535E-13 GRAD(Rho)z 0.7709260E-14 Laplacian 0.6087847E+00 (-1/4)Del**2(Rho)) -0.1521962E+00 Diamond 0.1158240E+01 Metallicity 0.4505486E+01 Ellipticity 0.2466551E-01 Gb(Abramov) 0.2157504E+00 Vb(Abramov) -0.2793046E+00 Hb(Abramov) -0.6355423E-01 Ex_ueg -0.5601773E-01 Ec_ueg -0.8094223E-02 Delta_ex -0.6455855E-01 Delta_ec 0.1518475E-01 Delta_et -0.2001907E+00 Pxc 0.6920705E+01 Qxc -0.4251539E+01 3,-1 131 3 +1 0.527166 -1.656152 -0.543424 Rho 0.9079723E-02 |GRAD(Rho)| 0.1330102E-14 GRAD(Rho)x 0.1759031E-15 GRAD(Rho)y 0.1005795E-14 GRAD(Rho)z 0.8524128E-15 Laplacian 0.3554263E-01 (-1/4)Del**2(Rho)) -0.8885657E-02 Diamond 0.1013636E-02 Metallicity 0.7661574E+00 Ellipticity -0.1452631E+01 Gb(Abramov) 0.7058406E-02 Vb(Abramov) -0.5231156E-02 Hb(Abramov) 0.1827250E-02 Ex_ueg -0.1398992E-02 Ec_ueg -0.3264950E-03 Delta_ex -0.1641807E-02 Delta_ec 0.4922146E-03 Delta_et -0.3417793E-02 Pxc 0.4284880E+01 Qxc -0.3335552E+01 3,+1 132 3 +1 0.551996 -0.508912 -1.665312 Rho 0.8874151E-02 |GRAD(Rho)| 0.9059832E-17 GRAD(Rho)x 0.7212515E-17 GRAD(Rho)y -0.6411047E-18 GRAD(Rho)z -0.5445105E-17 Laplacian 0.3444904E-01 (-1/4)Del**2(Rho)) -0.8612260E-02 Diamond 0.9630864E-03 Metallicity 0.7608763E+00 Ellipticity -0.1465452E+01 Gb(Abramov) 0.6833651E-02 Vb(Abramov) -0.5055041E-02 Hb(Abramov) 0.1778609E-02 Ex_ueg -0.1356920E-02 Ec_ueg -0.3172630E-03 Delta_ex -0.1586722E-02 Delta_ec 0.4854437E-03 Delta_et -0.3344284E-02 Pxc 0.4276955E+01 Qxc -0.3268602E+01 3,+1 133 3 +1 1.750857 -1.729738 -1.746571 Rho 0.1216404E-01 |GRAD(Rho)| 0.5548707E-14 GRAD(Rho)x 0.4229697E-14 GRAD(Rho)y 0.3576928E-14 GRAD(Rho)z 0.3215622E-15 Laplacian 0.6130087E-01 (-1/4)Del**2(Rho)) -0.1532522E-01 Diamond 0.2495670E-02 Metallicity 0.7232302E+00 Ellipticity -0.1242432E+01 Gb(Abramov) 0.1206409E-01 Vb(Abramov) -0.8802959E-02 Hb(Abramov) 0.3261129E-02 Ex_ueg -0.2066121E-02 Ec_ueg -0.4671472E-03 Delta_ex -0.3022084E-02 Delta_ec 0.7922197E-03 Delta_et -0.5962718E-02 Pxc 0.4422848E+01 Qxc -0.3814705E+01 3,+1 134 3 -1 0.568439 -1.764164 -2.797672 Rho 0.1475766E+00 |GRAD(Rho)| 0.9479895E-16 GRAD(Rho)x 0.5300393E-16 GRAD(Rho)y 0.3366448E-16 GRAD(Rho)z -0.7102202E-16 Laplacian 0.6191286E+00 (-1/4)Del**2(Rho)) -0.1547822E+00 Diamond 0.1227227E+01 Metallicity 0.4586994E+01 Ellipticity 0.1316900E-01 Gb(Abramov) 0.2215189E+00 Vb(Abramov) -0.2882557E+00 Hb(Abramov) -0.6673676E-01 Ex_ueg -0.5759814E-01 Ec_ueg -0.8288563E-02 Delta_ex -0.6619133E-01 Delta_ec 0.1571537E-01 Delta_et -0.2085962E+00 Pxc 0.6949110E+01 Qxc -0.4211885E+01 3,-1 135 3 +1 0.189325 0.198974 -2.898540 Rho 0.5285521E-02 |GRAD(Rho)| 0.5109269E-14 GRAD(Rho)x 0.1056413E-14 GRAD(Rho)y 0.4906406E-14 GRAD(Rho)z -0.9569747E-15 Laplacian 0.2196468E-01 (-1/4)Del**2(Rho)) -0.5491171E-02 Diamond 0.5140450E-03 Metallicity 0.5031544E+00 Ellipticity -0.2254697E+01 Gb(Abramov) 0.4121265E-02 Vb(Abramov) -0.2751359E-02 Hb(Abramov) 0.1369906E-02 Ex_ueg -0.6799894E-03 Ec_ueg -0.1592206E-03 Delta_ex -0.1071209E-02 Delta_ec 0.6333298E-03 Delta_et -0.3520748E-02 Pxc 0.4270739E+01 Qxc -0.1691393E+01 3,+1 136 3 +3 1.124446 -1.092995 -1.116923 Rho 0.5256842E-02 |GRAD(Rho)| 0.4450159E-17 GRAD(Rho)x 0.2548019E-17 GRAD(Rho)y 0.3536037E-17 GRAD(Rho)z -0.8988641E-18 Laplacian 0.2047912E-01 (-1/4)Del**2(Rho)) -0.5119780E-02 Diamond 0.1515279E-03 Metallicity 0.5347821E+00 Ellipticity -0.3964866E-01 Gb(Abramov) 0.3869514E-02 Vb(Abramov) -0.2619249E-02 Hb(Abramov) 0.1250265E-02 Ex_ueg -0.6750745E-03 Ec_ueg -0.1579825E-03 Delta_ex -0.7160331E-03 Delta_ec 0.8765640E-04 Delta_et -0.7072261E-03 Pxc 0.4273097E+01 Qxc -0.8168635E+01 3,+3 137 3 -1 0.546816 2.739789 1.855169 Rho 0.1194845E+00 |GRAD(Rho)| 0.2342998E-14 GRAD(Rho)x -0.1185717E-14 GRAD(Rho)y -0.3574886E-15 GRAD(Rho)z 0.1988949E-14 Laplacian 0.4999425E+00 (-1/4)Del**2(Rho)) -0.1249856E+00 Diamond 0.7635957E+00 Metallicity 0.3995267E+01 Ellipticity 0.3772457E-02 Gb(Abramov) 0.1665489E+00 Vb(Abramov) -0.2081122E+00 Hb(Abramov) -0.4156329E-01 Ex_ueg -0.4346442E-01 Ec_ueg -0.6519778E-02 Delta_ex -0.5071497E-01 Delta_ec 0.1322361E-01 Delta_et -0.1695514E+00 Pxc 0.6666549E+01 Qxc -0.3835184E+01 3,-1 138 3 -1 -0.059244 3.138182 -3.276090 Rho 0.2412056E+00 |GRAD(Rho)| 0.8539115E-15 GRAD(Rho)x -0.1777143E-15 GRAD(Rho)y 0.7544421E-15 GRAD(Rho)z -0.3583288E-15 Laplacian 0.8618729E+00 (-1/4)Del**2(Rho)) -0.2154682E+00 Diamond 0.3081060E+01 Metallicity 0.7472782E+01 Ellipticity 0.8290797E-03 Gb(Abramov) 0.4120033E+00 Vb(Abramov) -0.6085384E+00 Hb(Abramov) -0.1965351E+00 Ex_ueg -0.1108924E+00 Ec_ueg -0.1452249E-01 Delta_ex -0.1043444E+00 Delta_ec 0.1914734E-01 Delta_et -0.2658734E+00 Pxc 0.7635903E+01 Qxc -0.5449551E+01 3,-1 139 3 -1 0.062332 3.133288 3.264070 Rho 0.2413711E+00 |GRAD(Rho)| 0.1386408E-14 GRAD(Rho)x -0.2907017E-16 GRAD(Rho)y -0.1160964E-14 GRAD(Rho)z -0.7572610E-15 Laplacian 0.8625038E+00 (-1/4)Del**2(Rho)) -0.2156260E+00 Diamond 0.3085787E+01 Metallicity 0.7475858E+01 Ellipticity 0.8901540E-03 Gb(Abramov) 0.4124155E+00 Vb(Abramov) -0.6092050E+00 Hb(Abramov) -0.1967895E+00 Ex_ueg -0.1109938E+00 Ec_ueg -0.1453395E-01 Delta_ex -0.1044391E+00 Delta_ec 0.1915676E-01 Delta_et -0.2660075E+00 Pxc 0.7636867E+01 Qxc -0.5451816E+01 3,-1 140 3 +1 1.672339 0.528997 0.539466 Rho 0.8875676E-02 |GRAD(Rho)| 0.1515514E-16 GRAD(Rho)x 0.1252458E-16 GRAD(Rho)y 0.8348621E-17 GRAD(Rho)z 0.1764605E-17 Laplacian 0.3447065E-01 (-1/4)Del**2(Rho)) -0.8617662E-02 Diamond 0.9663786E-03 Metallicity 0.7606171E+00 Ellipticity -0.1468154E+01 Gb(Abramov) 0.6837565E-02 Vb(Abramov) -0.5057468E-02 Hb(Abramov) 0.1780097E-02 Ex_ueg -0.1357231E-02 Ec_ueg -0.3173314E-03 Delta_ex -0.1588851E-02 Delta_ec 0.4876474E-03 Delta_et -0.3358088E-02 Pxc 0.4277013E+01 Qxc -0.3258195E+01 3,+1 141 3 -1 0.478765 -0.474576 0.466333 Rho 0.1870700E+00 |GRAD(Rho)| 0.3151091E-15 GRAD(Rho)x -0.1387779E-15 GRAD(Rho)y -0.2602085E-15 GRAD(Rho)z 0.1110223E-15 Laplacian 0.5173278E+00 (-1/4)Del**2(Rho)) -0.1293320E+00 Diamond 0.1391587E+01 Metallicity 0.8150561E+01 Ellipticity 0.2971459E-02 Gb(Abramov) 0.2619093E+00 Vb(Abramov) -0.3944866E+00 Hb(Abramov) -0.1325773E+00 Ex_ueg -0.7901760E-01 Ec_ueg -0.1085743E-01 Delta_ex -0.5888563E-01 Delta_ec 0.1272942E-01 Delta_et -0.1749935E+00 Pxc 0.7277745E+01 Qxc -0.4625947E+01 3,-1 142 3 -1 0.475392 0.479418 -0.464595 Rho 0.1871506E+00 |GRAD(Rho)| 0.3214813E-15 GRAD(Rho)x 0.2463307E-15 GRAD(Rho)y -0.2775558E-16 GRAD(Rho)z 0.2046974E-15 Laplacian 0.5175453E+00 (-1/4)Del**2(Rho)) -0.1293863E+00 Diamond 0.1392977E+01 Metallicity 0.8152988E+01 Ellipticity 0.3135973E-02 Gb(Abramov) 0.2620718E+00 Vb(Abramov) -0.3947572E+00 Hb(Abramov) -0.1326854E+00 Ex_ueg -0.7906301E-01 Ec_ueg -0.1086277E-01 Delta_ex -0.5891741E-01 Delta_ec 0.1273445E-01 Delta_et -0.1750740E+00 Pxc 0.7278350E+01 Qxc -0.4626617E+01 3,-1 143 3 -1 1.704199 -1.754762 0.533549 Rho 0.5012457E-01 |GRAD(Rho)| 0.8116051E-16 GRAD(Rho)x 0.4984365E-16 GRAD(Rho)y -0.4650592E-16 GRAD(Rho)z -0.4404360E-16 Laplacian 0.2049610E+00 (-1/4)Del**2(Rho)) -0.5124025E-01 Diamond 0.1034624E+00 Metallicity 0.2291006E+01 Ellipticity 0.1364713E-01 Gb(Abramov) 0.5372546E-01 Vb(Abramov) -0.5621067E-01 Hb(Abramov) -0.2485208E-02 Ex_ueg -0.1364958E-01 Ec_ueg -0.2421761E-02 Delta_ex -0.1684749E-01 Delta_ec 0.6046323E-02 Delta_et -0.6378133E-01 Pxc 0.5636221E+01 Qxc -0.2786402E+01 3,-1 144 3 +1 1.386989 -1.091765 2.166464 Rho 0.2682917E-01 |GRAD(Rho)| 0.5826085E-11 GRAD(Rho)x 0.3723246E-11 GRAD(Rho)y 0.4196266E-11 GRAD(Rho)z -0.1572278E-11 Laplacian 0.1077099E+00 (-1/4)Del**2(Rho)) -0.2692749E-01 Diamond 0.1609763E-01 Metallicity 0.1538283E+01 Ellipticity -0.4516632E+01 Gb(Abramov) 0.2485534E-01 Vb(Abramov) -0.2278319E-01 Hb(Abramov) 0.2072148E-02 Ex_ueg -0.5931913E-02 Ec_ueg -0.1181244E-02 Delta_ex -0.6883330E-02 Delta_ec 0.1928660E-02 Delta_et -0.1730134E-01 Pxc 0.5021751E+01 Qxc -0.3568970E+01 3,+1 145 3 -1 0.537381 1.712746 -1.769228 Rho 0.4269195E-01 |GRAD(Rho)| 0.5198840E-16 GRAD(Rho)x 0.1582226E-16 GRAD(Rho)y 0.4868237E-16 GRAD(Rho)z -0.9081676E-17 Laplacian 0.1797874E+00 (-1/4)Del**2(Rho)) -0.4494684E-01 Diamond 0.7517515E-01 Metallicity 0.1998776E+01 Ellipticity 0.9371764E-02 Gb(Abramov) 0.4493767E-01 Vb(Abramov) -0.4492850E-01 Hb(Abramov) 0.9172334E-05 Ex_ueg -0.1101995E-01 Ec_ueg -0.2015084E-02 Delta_ex -0.1431281E-01 Delta_ec 0.5520218E-02 Delta_et -0.5585425E-01 Pxc 0.5468732E+01 Qxc -0.2592798E+01 3,-1 146 3 -1 0.838169 -2.965344 2.035805 Rho 0.1186475E+00 |GRAD(Rho)| 0.1527533E-14 GRAD(Rho)x -0.9856956E-15 GRAD(Rho)y 0.5744476E-15 GRAD(Rho)z 0.1015762E-14 Laplacian 0.4613029E+00 (-1/4)Del**2(Rho)) -0.1153257E+00 Diamond 0.7013480E+00 Metallicity 0.4279483E+01 Ellipticity 0.3103353E-01 Gb(Abramov) 0.1591396E+00 Vb(Abramov) -0.2029534E+00 Hb(Abramov) -0.4381384E-01 Ex_ueg -0.4305893E-01 Ec_ueg -0.6467887E-02 Delta_ex -0.4675355E-01 Delta_ec 0.1228735E-01 Delta_et -0.1574631E+00 Pxc 0.6657341E+01 Qxc -0.3805014E+01 3,-1 147 3 +1 1.049198 -2.168045 1.417971 Rho 0.2779515E-01 |GRAD(Rho)| 0.2428212E-16 GRAD(Rho)x -0.1327393E-16 GRAD(Rho)y -0.1283045E-16 GRAD(Rho)z 0.1577352E-16 Laplacian 0.1112254E+00 (-1/4)Del**2(Rho)) -0.2780635E-01 Diamond 0.1585715E-01 Metallicity 0.1580123E+01 Ellipticity -0.2946933E+01 Gb(Abramov) 0.2586048E-01 Vb(Abramov) -0.2391461E-01 Hb(Abramov) 0.1945875E-02 Ex_ueg -0.6218379E-02 Ec_ueg -0.1230450E-02 Delta_ex -0.7024893E-02 Delta_ec 0.1723091E-02 Delta_et -0.1563101E-01 Pxc 0.5053744E+01 Qxc -0.4076913E+01 3,+1 148 3 -1 0.870537 -1.963198 3.027666 Rho 0.1467765E+00 |GRAD(Rho)| 0.7413771E-15 GRAD(Rho)x 0.5674850E-15 GRAD(Rho)y 0.4723869E-15 GRAD(Rho)z -0.6671909E-16 Laplacian 0.5718618E+00 (-1/4)Del**2(Rho)) -0.1429655E+00 Diamond 0.1120093E+01 Metallicity 0.4921338E+01 Ellipticity 0.6428685E-01 Gb(Abramov) 0.2125739E+00 Vb(Abramov) -0.2821823E+00 Hb(Abramov) -0.6960840E-01 Ex_ueg -0.5718217E-01 Ec_ueg -0.8237487E-02 Delta_ex -0.6099432E-01 Delta_ec 0.1442408E-01 Delta_et -0.1910602E+00 Pxc 0.6941701E+01 Qxc -0.4228644E+01 3,-1 149 3 +1 1.744418 1.733509 1.757253 Rho 0.1199261E-01 |GRAD(Rho)| 0.2061485E-13 GRAD(Rho)x 0.1716994E-13 GRAD(Rho)y -0.8738748E-14 GRAD(Rho)z -0.7334830E-14 Laplacian 0.6029931E-01 (-1/4)Del**2(Rho)) -0.1507483E-01 Diamond 0.2416494E-02 Metallicity 0.7180542E+00 Ellipticity -0.1244091E+01 Gb(Abramov) 0.1185398E-01 Vb(Abramov) -0.8633123E-02 Hb(Abramov) 0.3220852E-02 Ex_ueg -0.2027388E-02 Ec_ueg -0.4592280E-03 Delta_ex -0.2964169E-02 Delta_ec 0.7838874E-03 Delta_et -0.5876039E-02 Pxc 0.4414774E+01 Qxc -0.3781371E+01 3,+1 150 3 -1 0.871130 1.966082 -3.034263 Rho 0.1476301E+00 |GRAD(Rho)| 0.7063001E-16 GRAD(Rho)x 0.3221436E-16 GRAD(Rho)y -0.4433032E-16 GRAD(Rho)z -0.4456071E-16 Laplacian 0.5754855E+00 (-1/4)Del**2(Rho)) -0.1438714E+00 Diamond 0.1134814E+01 Metallicity 0.4937840E+01 Ellipticity 0.6525751E-01 Gb(Abramov) 0.2143166E+00 Vb(Abramov) -0.2847618E+00 Hb(Abramov) -0.7044520E-01 Ex_ueg -0.5762599E-01 Ec_ueg -0.8291981E-02 Delta_ex -0.6146576E-01 Delta_ec 0.1448997E-01 Delta_et -0.1920777E+00 Pxc 0.6949604E+01 Qxc -0.4241954E+01 3,-1 151 3 +1 1.042318 2.172223 -1.426695 Rho 0.2764963E-01 |GRAD(Rho)| 0.3963877E-12 GRAD(Rho)x 0.2880060E-12 GRAD(Rho)y 0.1049394E-12 GRAD(Rho)z 0.2513235E-12 Laplacian 0.1104330E+00 (-1/4)Del**2(Rho)) -0.2760826E-01 Diamond 0.1548655E-01 Metallicity 0.1577598E+01 Ellipticity -0.2849970E+01 Gb(Abramov) 0.2566463E-01 Vb(Abramov) -0.2372099E-01 Hb(Abramov) 0.1943632E-02 Ex_ueg -0.6175006E-02 Ec_ueg -0.1223022E-02 Delta_ex -0.6951212E-02 Delta_ec 0.1686411E-02 Delta_et -0.1528387E-01 Pxc 0.5048973E+01 Qxc -0.4121896E+01 3,+1 152 3 -1 0.837664 2.968495 -2.044220 Rho 0.1173259E+00 |GRAD(Rho)| 0.1696613E-15 GRAD(Rho)x 0.6079664E-16 GRAD(Rho)y -0.4462508E-16 GRAD(Rho)z 0.1519780E-15 Laplacian 0.4559736E+00 (-1/4)Del**2(Rho)) -0.1139934E+00 Diamond 0.6837776E+00 Metallicity 0.4249424E+01 Ellipticity 0.3021335E-01 Gb(Abramov) 0.1567300E+00 Vb(Abramov) -0.1994666E+00 Hb(Abramov) -0.4273657E-01 Ex_ueg -0.4242062E-01 Ec_ueg -0.6386053E-02 Delta_ex -0.4608755E-01 Delta_ec 0.1217244E-01 Delta_et -0.1556772E+00 Pxc 0.6642697E+01 Qxc -0.3786221E+01 3,-1 153 3 -1 1.764247 0.533112 -1.703187 Rho 0.4250317E-01 |GRAD(Rho)| 0.2625378E-16 GRAD(Rho)x -0.1243974E-16 GRAD(Rho)y 0.1349578E-16 GRAD(Rho)z -0.1877173E-16 Laplacian 0.1781948E+00 (-1/4)Del**2(Rho)) -0.4454871E-01 Diamond 0.7386283E-01 Metallicity 0.2001798E+01 Ellipticity 0.1810936E-01 Gb(Abramov) 0.4456206E-01 Vb(Abramov) -0.4457541E-01 Hb(Abramov) -0.1335017E-04 Ex_ueg -0.1095503E-01 Ec_ueg -0.2004872E-02 Delta_ex -0.1415983E-01 Delta_ec 0.5452463E-02 Delta_et -0.5510000E-01 Pxc 0.5464202E+01 Qxc -0.2596961E+01 3,-1 154 3 -1 1.855384 0.549078 2.758388 Rho 0.1226138E+00 |GRAD(Rho)| 0.5947734E-13 GRAD(Rho)x 0.1913386E-14 GRAD(Rho)y 0.5761352E-13 GRAD(Rho)z -0.1464839E-13 Laplacian 0.5086905E+00 (-1/4)Del**2(Rho)) -0.1271726E+00 Diamond 0.8014022E+00 Metallicity 0.4099446E+01 Ellipticity 0.3846683E-02 Gb(Abramov) 0.1716713E+00 Vb(Abramov) -0.2161700E+00 Hb(Abramov) -0.4449867E-01 Ex_ueg -0.4498878E-01 Ec_ueg -0.6714215E-02 Delta_ex -0.5192174E-01 Delta_ec 0.1337136E-01 Delta_et -0.1721993E+00 Pxc 0.6700528E+01 Qxc -0.3883056E+01 3,-1 155 3 +1 1.382527 1.095455 -2.168489 Rho 0.2667005E-01 |GRAD(Rho)| 0.2656966E-15 GRAD(Rho)x -0.1124649E-16 GRAD(Rho)y -0.2297654E-15 GRAD(Rho)z -0.1329513E-15 Laplacian 0.1069355E+00 (-1/4)Del**2(Rho)) -0.2673387E-01 Diamond 0.1584550E-01 Metallicity 0.1534138E+01 Ellipticity -0.4485317E+01 Gb(Abramov) 0.2465815E-01 Vb(Abramov) -0.2258243E-01 Hb(Abramov) 0.2075716E-02 Ex_ueg -0.5885050E-02 Ec_ueg -0.1173161E-02 Delta_ex -0.6822419E-02 Delta_ec 0.1913703E-02 Delta_et -0.1714220E-01 Pxc 0.5016405E+01 Qxc -0.3565035E+01 3,+1 156 3 -1 1.768092 -2.792466 -0.568867 Rho 0.1482745E+00 |GRAD(Rho)| 0.3937243E-15 GRAD(Rho)x 0.1032703E-15 GRAD(Rho)y 0.9330915E-16 GRAD(Rho)z 0.3683035E-15 Laplacian 0.6265810E+00 (-1/4)Del**2(Rho)) -0.1566453E+00 Diamond 0.1249636E+01 Metallicity 0.4568214E+01 Ellipticity 0.1206869E-01 Gb(Abramov) 0.2236950E+00 Vb(Abramov) -0.2907448E+00 Hb(Abramov) -0.6704977E-01 Ex_ueg -0.5796157E-01 Ec_ueg -0.8333146E-02 Delta_ex -0.6707156E-01 Delta_ec 0.1589640E-01 Delta_et -0.2111629E+00 Pxc 0.6955545E+01 Qxc -0.4219292E+01 3,-1 157 3 -1 1.951106 -3.022114 0.872973 Rho 0.1546238E+00 |GRAD(Rho)| 0.3145108E-15 GRAD(Rho)x -0.6314122E-16 GRAD(Rho)y -0.2242943E-16 GRAD(Rho)z 0.3072900E-15 Laplacian 0.6077215E+00 (-1/4)Del**2(Rho)) -0.1519304E+00 Diamond 0.1280947E+01 Metallicity 0.5050902E+01 Ellipticity 0.5185062E-01 Gb(Abramov) 0.2291845E+00 Vb(Abramov) -0.3064386E+00 Hb(Abramov) -0.7725412E-01 Ex_ueg -0.6129429E-01 Ec_ueg -0.8740155E-02 Delta_ex -0.6578847E-01 Delta_ec 0.1536551E-01 Delta_et -0.2055454E+00 Pxc 0.7012952E+01 Qxc -0.4281567E+01 3,-1 158 3 -1 1.695196 1.759677 -0.535526 Rho 0.5055845E-01 |GRAD(Rho)| 0.1369030E-15 GRAD(Rho)x -0.6290448E-16 GRAD(Rho)y -0.9862470E-16 GRAD(Rho)z -0.7112409E-16 Laplacian 0.2070243E+00 (-1/4)Del**2(Rho)) -0.5175608E-01 Diamond 0.1058119E+00 Metallicity 0.2300990E+01 Ellipticity 0.1265891E-01 Gb(Abramov) 0.5435242E-01 Vb(Abramov) -0.5694876E-01 Hb(Abramov) -0.2596340E-02 Ex_ueg -0.1380734E-01 Ec_ueg -0.2445766E-02 Delta_ex -0.1705738E-01 Delta_ec 0.6112559E-02 Delta_et -0.6462645E-01 Pxc 0.5645405E+01 Qxc -0.2790546E+01 3,-1 159 3 +1 2.179711 -1.109260 1.344408 Rho 0.2824841E-01 |GRAD(Rho)| 0.9748955E-15 GRAD(Rho)x 0.5944414E-15 GRAD(Rho)y 0.3986451E-15 GRAD(Rho)z 0.6619236E-15 Laplacian 0.1146545E+00 (-1/4)Del**2(Rho)) -0.2866362E-01 Diamond 0.1810317E-01 Metallicity 0.1574751E+01 Ellipticity -0.4294007E+01 Gb(Abramov) 0.2663210E-01 Vb(Abramov) -0.2460057E-01 Hb(Abramov) 0.2031527E-02 Ex_ueg -0.6353948E-02 Ec_ueg -0.1253617E-02 Delta_ex -0.7401552E-02 Delta_ec 0.2004902E-02 Delta_et -0.1822058E-01 Pxc 0.5068492E+01 Qxc -0.3691728E+01 3,+1 160 3 -1 2.040653 -0.837457 2.965898 Rho 0.1168340E+00 |GRAD(Rho)| 0.1441878E-15 GRAD(Rho)x 0.1293724E-15 GRAD(Rho)y 0.5799804E-16 GRAD(Rho)z -0.2625125E-16 Laplacian 0.4533070E+00 (-1/4)Del**2(Rho)) -0.1133268E+00 Diamond 0.6774481E+00 Metallicity 0.4244593E+01 Ellipticity 0.3067767E-01 Gb(Abramov) 0.1557222E+00 Vb(Abramov) -0.1981176E+00 Hb(Abramov) -0.4239540E-01 Ex_ueg -0.4218363E-01 Ec_ueg -0.6355625E-02 Delta_ex -0.4578744E-01 Delta_ec 0.1214029E-01 Delta_et -0.1551944E+00 Pxc 0.6637213E+01 Qxc -0.3771526E+01 3,-1 161 3 -1 1.945999 3.027419 -0.878336 Rho 0.1561147E+00 |GRAD(Rho)| 0.7904514E-15 GRAD(Rho)x -0.5734345E-15 GRAD(Rho)y -0.5784219E-16 GRAD(Rho)z -0.5409627E-15 Laplacian 0.6128983E+00 (-1/4)Del**2(Rho)) -0.1532246E+00 Diamond 0.1306936E+01 Metallicity 0.5088984E+01 Ellipticity 0.5343245E-01 Gb(Abramov) 0.2321093E+00 Vb(Abramov) -0.3109940E+00 Hb(Abramov) -0.7888472E-01 Ex_ueg -0.6208359E-01 Ec_ueg -0.8836086E-02 Delta_ex -0.6650715E-01 Delta_ec 0.1546091E-01 Delta_et -0.2070919E+00 Pxc 0.7026142E+01 Qxc -0.4301632E+01 3,-1 162 3 -1 1.762611 2.794613 0.567329 Rho 0.1521643E+00 |GRAD(Rho)| 0.1309011E-14 GRAD(Rho)x 0.1123938E-14 GRAD(Rho)y -0.2935952E-15 GRAD(Rho)z -0.6033856E-15 Laplacian 0.6393794E+00 (-1/4)Del**2(Rho)) -0.1598448E+00 Diamond 0.1312827E+01 Metallicity 0.4674218E+01 Ellipticity 0.1573850E-01 Gb(Abramov) 0.2310882E+00 Vb(Abramov) -0.3023315E+00 Hb(Abramov) -0.7124333E-01 Ex_ueg -0.5999779E-01 Ec_ueg -0.8582201E-02 Delta_ex -0.6885336E-01 Delta_ec 0.1607122E-01 Delta_et -0.2141423E+00 Pxc 0.6990956E+01 Qxc -0.4284264E+01 3,-1 163 3 -1 1.846879 -0.549946 -2.751471 Rho 0.1250826E+00 |GRAD(Rho)| 0.6991225E-16 GRAD(Rho)x -0.6426608E-16 GRAD(Rho)y -0.2042366E-16 GRAD(Rho)z -0.1845177E-16 Laplacian 0.5233833E+00 (-1/4)Del**2(Rho)) -0.1308458E+00 Diamond 0.8430247E+00 Metallicity 0.4118964E+01 Ellipticity 0.3027284E-02 Gb(Abramov) 0.1770554E+00 Vb(Abramov) -0.2232650E+00 Hb(Abramov) -0.4620959E-01 Ex_ueg -0.4620058E-01 Ec_ueg -0.6868085E-02 Delta_ex -0.5365853E-01 Delta_ec 0.1365824E-01 Delta_et -0.1764187E+00 Pxc 0.6726851E+01 Qxc -0.3928657E+01 3,-1 164 3 +1 2.899943 0.173298 -0.171672 Rho 0.5293357E-02 |GRAD(Rho)| 0.1842891E-12 GRAD(Rho)x 0.5179449E-13 GRAD(Rho)y 0.1231134E-12 GRAD(Rho)z -0.1269760E-12 Laplacian 0.2194730E-01 (-1/4)Del**2(Rho)) -0.5486826E-02 Diamond 0.5280799E-03 Metallicity 0.5047977E+00 Ellipticity -0.2531204E+01 Gb(Abramov) 0.4119507E-02 Vb(Abramov) -0.2752187E-02 Hb(Abramov) 0.1367319E-02 Ex_ueg -0.6813339E-03 Ec_ueg -0.1595589E-03 Delta_ex -0.1082226E-02 Delta_ec 0.6534436E-03 Delta_et -0.3625120E-02 Pxc 0.4270108E+01 Qxc -0.1656189E+01 3,+1 165 3 -1 1.771547 -0.532359 1.702132 Rho 0.4270794E-01 |GRAD(Rho)| 0.6624324E-16 GRAD(Rho)x 0.4374777E-16 GRAD(Rho)y 0.1894569E-16 GRAD(Rho)z 0.4599304E-16 Laplacian 0.1791686E+00 (-1/4)Del**2(Rho)) -0.4479215E-01 Diamond 0.7480671E-01 Metallicity 0.2006931E+01 Ellipticity 0.1361008E-01 Gb(Abramov) 0.4484389E-01 Vb(Abramov) -0.4489563E-01 Hb(Abramov) -0.5173919E-04 Ex_ueg -0.1102546E-01 Ec_ueg -0.2015949E-02 Delta_ex -0.1425701E-01 Delta_ec 0.5487166E-02 Delta_et -0.5552324E-01 Pxc 0.5469115E+01 Qxc -0.2598246E+01 3,-1 166 3 +1 2.897180 -0.170120 0.170840 Rho 0.5307346E-02 |GRAD(Rho)| 0.5190046E-17 GRAD(Rho)x 0.1969826E-17 GRAD(Rho)y 0.2200661E-17 GRAD(Rho)z 0.4267723E-17 Laplacian 0.2197534E-01 (-1/4)Del**2(Rho)) -0.5493836E-02 Diamond 0.5380460E-03 Metallicity 0.5063760E+00 Ellipticity -0.2757419E+01 Gb(Abramov) 0.4126215E-02 Vb(Abramov) -0.2758594E-02 Hb(Abramov) 0.1367621E-02 Ex_ueg -0.6837356E-03 Ec_ueg -0.1601630E-03 Delta_ex -0.1090531E-02 Delta_ec 0.6656252E-03 Delta_et -0.3690790E-02 Pxc 0.4268998E+01 Qxc -0.1638357E+01 3,+1 167 3 -1 2.037470 0.837754 -2.968285 Rho 0.1165683E+00 |GRAD(Rho)| 0.9915830E-16 GRAD(Rho)x 0.9616873E-16 GRAD(Rho)y -0.1116051E-16 GRAD(Rho)z -0.2143332E-16 Laplacian 0.4525828E+00 (-1/4)Del**2(Rho)) -0.1131457E+00 Diamond 0.6748326E+00 Metallicity 0.4235286E+01 Ellipticity 0.2992104E-01 Gb(Abramov) 0.1552979E+00 Vb(Abramov) -0.1974501E+00 Hb(Abramov) -0.4215218E-01 Ex_ueg -0.4205580E-01 Ec_ueg -0.6339200E-02 Delta_ex -0.4569394E-01 Delta_ec 0.1213518E-01 Delta_et -0.1550790E+00 Pxc 0.6634244E+01 Qxc -0.3765413E+01 3,-1 168 3 -1 2.807380 -0.578021 -1.775958 Rho 0.1419251E+00 |GRAD(Rho)| 0.1486212E-15 GRAD(Rho)x -0.7499630E-16 GRAD(Rho)y -0.1238972E-15 GRAD(Rho)z 0.3336632E-16 Laplacian 0.5977858E+00 (-1/4)Del**2(Rho)) -0.1494464E+00 Diamond 0.1114162E+01 Metallicity 0.4451428E+01 Ellipticity 0.2043008E-01 Gb(Abramov) 0.2105060E+00 Vb(Abramov) -0.2715655E+00 Hb(Abramov) -0.6105954E-01 Ex_ueg -0.5467605E-01 Ec_ueg -0.7928622E-02 Delta_ex -0.6312491E-01 Delta_ec 0.1500498E-01 Delta_et -0.1973748E+00 Pxc 0.6896035E+01 Qxc -0.4206931E+01 3,-1 169 3 -1 3.022143 -0.864319 1.962829 Rho 0.1380813E+00 |GRAD(Rho)| 0.3612746E-15 GRAD(Rho)x -0.6621087E-16 GRAD(Rho)y 0.2025832E-15 GRAD(Rho)z 0.2917114E-15 Laplacian 0.5407130E+00 (-1/4)Del**2(Rho)) -0.1351782E+00 Diamond 0.9839711E+00 Metallicity 0.4701153E+01 Ellipticity 0.5672656E-01 Gb(Abramov) 0.1960344E+00 Vb(Abramov) -0.2568906E+00 Hb(Abramov) -0.6085619E-01 Ex_ueg -0.5271062E-01 Ec_ueg -0.7684966E-02 Delta_ex -0.5681445E-01 Delta_ec 0.1384088E-01 Delta_et -0.1817080E+00 Pxc 0.6858927E+01 Qxc -0.4104829E+01 3,-1 170 3 -1 3.263491 0.069117 3.139749 Rho 0.2416375E+00 |GRAD(Rho)| 0.3820369E-15 GRAD(Rho)x 0.2918130E-15 GRAD(Rho)y 0.5636496E-16 GRAD(Rho)z -0.2400424E-15 Laplacian 0.8630358E+00 (-1/4)Del**2(Rho)) -0.2157590E+00 Diamond 0.3092026E+01 Metallicity 0.7484997E+01 Ellipticity 0.1281479E-02 Gb(Abramov) 0.4129985E+00 Vb(Abramov) -0.6102381E+00 Hb(Abramov) -0.1972395E+00 Ex_ueg -0.1111572E+00 Ec_ueg -0.1455238E-01 Delta_ex -0.1045349E+00 Delta_ec 0.1916452E-01 Delta_et -0.2661355E+00 Pxc 0.7638418E+01 Qxc -0.5454605E+01 3,-1 171 3 -1 3.013659 0.857954 -1.961070 Rho 0.1380659E+00 |GRAD(Rho)| 0.2008964E-15 GRAD(Rho)x 0.1152100E-15 GRAD(Rho)y 0.1645277E-15 GRAD(Rho)z 0.4079311E-17 Laplacian 0.5403338E+00 (-1/4)Del**2(Rho)) -0.1350835E+00 Diamond 0.9831372E+00 Metallicity 0.4703576E+01 Ellipticity 0.5709135E-01 Gb(Abramov) 0.1959515E+00 Vb(Abramov) -0.2568196E+00 Hb(Abramov) -0.6086806E-01 Ex_ueg -0.5270277E-01 Ec_ueg -0.7683990E-02 Delta_ex -0.5677294E-01 Delta_ec 0.1383132E-01 Delta_et -0.1815789E+00 Pxc 0.6858776E+01 Qxc -0.4104666E+01 3,-1 172 3 -1 2.904754 -0.009751 0.010933 Rho 0.5339990E-02 |GRAD(Rho)| 0.4249830E-15 GRAD(Rho)x -0.3514927E-15 GRAD(Rho)y -0.1657032E-15 GRAD(Rho)z -0.1720636E-15 Laplacian 0.2150025E-01 (-1/4)Del**2(Rho)) -0.5375063E-02 Diamond 0.6362381E-03 Metallicity 0.5228820E+00 Ellipticity 0.2761195E+01 Gb(Abramov) 0.4051796E-02 Vb(Abramov) -0.2728529E-02 Hb(Abramov) 0.1323267E-02 Ex_ueg -0.6893488E-03 Ec_ueg -0.1615732E-03 Delta_ex -0.1157953E-02 Delta_ec 0.8113971E-03 Delta_et -0.4440528E-02 Pxc 0.4266480E+01 Qxc -0.1427111E+01 3,-1 173 3 -1 2.808045 0.575076 1.777786 Rho 0.1445206E+00 |GRAD(Rho)| 0.2506308E-11 GRAD(Rho)x 0.4540736E-12 GRAD(Rho)y 0.1674492E-11 GRAD(Rho)z -0.1808722E-11 Laplacian 0.6092532E+00 (-1/4)Del**2(Rho)) -0.1523133E+00 Diamond 0.1159277E+01 Metallicity 0.4501579E+01 Ellipticity 0.2334968E-01 Gb(Abramov) 0.2158173E+00 Vb(Abramov) -0.2793212E+00 Hb(Abramov) -0.6350396E-01 Ex_ueg -0.5601332E-01 Ec_ueg -0.8093680E-02 Delta_ex -0.6460968E-01 Delta_ec 0.1520091E-01 Delta_et -0.2004117E+00 Pxc 0.6920625E+01 Qxc -0.4250381E+01 3,-1 174 3 -1 3.139746 -3.255378 -0.052290 Rho 0.2516916E+00 |GRAD(Rho)| 0.1315925E-13 GRAD(Rho)x 0.8986843E-14 GRAD(Rho)y 0.2051961E-14 GRAD(Rho)z -0.9391061E-14 Laplacian 0.9215731E+00 (-1/4)Del**2(Rho)) -0.2303933E+00 Diamond 0.3433727E+01 Metallicity 0.7502360E+01 Ellipticity 0.1446537E-02 Gb(Abramov) 0.4416778E+00 Vb(Abramov) -0.6529622E+00 Hb(Abramov) -0.2112845E+00 Ex_ueg -0.1173663E+00 Ec_ueg -0.1525106E-01 Delta_ex -0.1126520E+00 Delta_ec 0.1991201E-01 Delta_et -0.2754365E+00 Pxc 0.7695614E+01 Qxc -0.5657492E+01 3,-1 175 3 -1 2.958440 2.027148 -0.851302 Rho 0.1331292E+00 |GRAD(Rho)| 0.6701426E-13 GRAD(Rho)x -0.2124850E-13 GRAD(Rho)y -0.5137603E-13 GRAD(Rho)z -0.3741545E-13 Laplacian 0.5210788E+00 (-1/4)Del**2(Rho)) -0.1302697E+00 Diamond 0.9214614E+00 Metallicity 0.4590204E+01 Ellipticity 0.2700125E-01 Gb(Abramov) 0.1865072E+00 Vb(Abramov) -0.2427447E+00 Hb(Abramov) -0.5623752E-01 Ex_ueg -0.5020529E-01 Ec_ueg -0.7372453E-02 Delta_ex -0.5443016E-01 Delta_ec 0.1374750E-01 Delta_et -0.1800425E+00 Pxc 0.6809849E+01 Qxc -0.3959277E+01 3,-1 176 3 -1 3.131521 3.257666 0.049245 Rho 0.2512064E+00 |GRAD(Rho)| 0.1083209E-13 GRAD(Rho)x -0.7726567E-14 GRAD(Rho)y -0.7287899E-14 GRAD(Rho)z -0.2126256E-14 Laplacian 0.9207606E+00 (-1/4)Del**2(Rho)) -0.2301902E+00 Diamond 0.3422615E+01 Metallicity 0.7484872E+01 Ellipticity 0.2177242E-02 Gb(Abramov) 0.4406174E+00 Vb(Abramov) -0.6510447E+00 Hb(Abramov) -0.2104273E+00 Ex_ueg -0.1170647E+00 Ec_ueg -0.1521722E-01 Delta_ex -0.1124950E+00 Delta_ec 0.1990505E-01 Delta_et -0.2753259E+00 Pxc 0.7692912E+01 Qxc -0.5651582E+01 3,-1 177 3 -1 -3.023343 -0.875688 -1.951484 Rho 0.1568308E+00 |GRAD(Rho)| 0.3000588E-15 GRAD(Rho)x -0.2565358E-15 GRAD(Rho)y 0.9348533E-16 GRAD(Rho)z -0.1244393E-15 Laplacian 0.6154274E+00 (-1/4)Del**2(Rho)) -0.1538568E+00 Diamond 0.1318752E+01 Metallicity 0.5106873E+01 Ellipticity 0.5223382E-01 Gb(Abramov) 0.2335258E+00 Vb(Abramov) -0.3131947E+00 Hb(Abramov) -0.7966894E-01 Ex_ueg -0.6246355E-01 Ec_ueg -0.8882205E-02 Delta_ex -0.6684951E-01 Delta_ec 0.1549332E-01 Delta_et -0.2076189E+00 Pxc 0.7032438E+01 Qxc -0.4314732E+01 3,-1 178 3 -1 -1.960659 -3.021719 -0.863389 Rho 0.1368104E+00 |GRAD(Rho)| 0.1028663E-12 GRAD(Rho)x -0.5898261E-13 GRAD(Rho)y 0.2310539E-13 GRAD(Rho)z 0.8104736E-13 Laplacian 0.5348983E+00 (-1/4)Del**2(Rho)) -0.1337246E+00 Diamond 0.9627905E+00 Metallicity 0.4679582E+01 Ellipticity 0.5428890E-01 Gb(Abramov) 0.1934456E+00 Vb(Abramov) -0.2531666E+00 Hb(Abramov) -0.5972099E-01 Ex_ueg -0.5206475E-01 Ec_ueg -0.7604612E-02 Delta_ex -0.5607880E-01 Delta_ec 0.1372602E-01 Delta_et -0.1799549E+00 Pxc 0.6846471E+01 Qxc -0.4085585E+01 3,-1 179 3 +1 -2.156650 -1.430816 -1.040455 Rho 0.2712670E-01 |GRAD(Rho)| 0.1816753E-15 GRAD(Rho)x -0.1427284E-15 GRAD(Rho)y -0.9779702E-16 GRAD(Rho)z 0.5540980E-16 Laplacian 0.1076821E+00 (-1/4)Del**2(Rho)) -0.2692053E-01 Diamond 0.1468758E-01 Metallicity 0.1567225E+01 Ellipticity -0.2830186E+01 Gb(Abramov) 0.2497877E-01 Vb(Abramov) -0.2303701E-01 Hb(Abramov) 0.1941757E-02 Ex_ueg -0.6019786E-02 Ec_ueg -0.1196375E-02 Delta_ex -0.6740876E-02 Delta_ec 0.1640875E-02 Delta_et -0.1480648E-01 Pxc 0.5031688E+01 Qxc -0.4108098E+01 3,+1 180 3 -1 -0.544145 2.756950 -1.862091 Rho 0.1134557E+00 |GRAD(Rho)| 0.6607463E-13 GRAD(Rho)x -0.6418909E-13 GRAD(Rho)y -0.1565945E-13 GRAD(Rho)z -0.6319611E-15 Laplacian 0.4696068E+00 (-1/4)Del**2(Rho)) -0.1174017E+00 Diamond 0.6756982E+00 Metallicity 0.3901716E+01 Ellipticity 0.6924623E-02 Gb(Abramov) 0.1546125E+00 Vb(Abramov) -0.1918233E+00 Hb(Abramov) -0.3721079E-01 Ex_ueg -0.4056516E-01 Ec_ueg -0.6147120E-02 Delta_ex -0.4707892E-01 Delta_ec 0.1261687E-01 Delta_et -0.1603729E+00 Pxc 0.6599052E+01 Qxc -0.3731426E+01 3,-1 181 3 -1 0.572365 1.771446 2.815010 Rho 0.1409992E+00 |GRAD(Rho)| 0.4699277E-15 GRAD(Rho)x -0.3129279E-15 GRAD(Rho)y 0.3443968E-15 GRAD(Rho)z -0.6556713E-16 Laplacian 0.5897489E+00 (-1/4)Del**2(Rho)) -0.1474372E+00 Diamond 0.1091321E+01 Metallicity 0.4463140E+01 Ellipticity 0.2149254E-01 Gb(Abramov) 0.2079636E+00 Vb(Abramov) -0.2684901E+00 Hb(Abramov) -0.6052642E-01 Ex_ueg -0.5420100E-01 Ec_ueg -0.7869847E-02 Delta_ex -0.6218447E-01 Delta_ec 0.1484161E-01 Delta_et -0.1950741E+00 Pxc 0.6887173E+01 Qxc -0.4189874E+01 3,-1 182 3 -1 2.746350 1.840594 0.543018 Rho 0.1252474E+00 |GRAD(Rho)| 0.1165435E-11 GRAD(Rho)x 0.2556583E-12 GRAD(Rho)y 0.7720142E-13 GRAD(Rho)z 0.1134424E-11 Laplacian 0.5241676E+00 (-1/4)Del**2(Rho)) -0.1310419E+00 Diamond 0.8599574E+00 Metallicity 0.4121837E+01 Ellipticity 0.1441877E-01 Gb(Abramov) 0.1773835E+00 Vb(Abramov) -0.2237251E+00 Hb(Abramov) -0.4634160E-01 Ex_ueg -0.4628177E-01 Ec_ueg -0.6878373E-02 Delta_ex -0.5393755E-01 Delta_ec 0.1399860E-01 Delta_et -0.1814339E+00 Pxc 0.6728593E+01 Qxc -0.3853067E+01 3,-1 183 3 -1 2.967949 -2.029163 0.852575 Rho 0.1343820E+00 |GRAD(Rho)| 0.3102845E-15 GRAD(Rho)x -0.2282042E-15 GRAD(Rho)y -0.1888951E-15 GRAD(Rho)z -0.9229271E-16 Laplacian 0.5268664E+00 (-1/4)Del**2(Rho)) -0.1317166E+00 Diamond 0.9426747E+00 Metallicity 0.4611206E+01 Ellipticity 0.2789891E-01 Gb(Abramov) 0.1890398E+00 Vb(Abramov) -0.2463630E+00 Hb(Abramov) -0.5732321E-01 Ex_ueg -0.5083622E-01 Ec_ueg -0.7451365E-02 Delta_ex -0.5516437E-01 Delta_ec 0.1387799E-01 Delta_et -0.1820415E+00 Pxc 0.6822404E+01 Qxc -0.3974954E+01 3,-1 184 3 -1 2.754966 -1.839254 -0.543093 Rho 0.1293079E+00 |GRAD(Rho)| 0.1290544E-15 GRAD(Rho)x 0.1133804E-15 GRAD(Rho)y -0.1572093E-17 GRAD(Rho)z -0.6162334E-16 Laplacian 0.5411797E+00 (-1/4)Del**2(Rho)) -0.1352949E+00 Diamond 0.9214629E+00 Metallicity 0.4210304E+01 Ellipticity 0.1218097E-01 Gb(Abramov) 0.1851354E+00 Vb(Abramov) -0.2349759E+00 Hb(Abramov) -0.4984048E-01 Ex_ueg -0.4829311E-01 Ec_ueg -0.7132394E-02 Delta_ex -0.5610267E-01 Delta_ec 0.1432017E-01 Delta_et -0.1865498E+00 Pxc 0.6770953E+01 Qxc -0.3917737E+01 3,-1 185 3 -1 3.254629 -0.073355 -3.141306 Rho 0.2416900E+00 |GRAD(Rho)| 0.9105664E-12 GRAD(Rho)x -0.6366982E-12 GRAD(Rho)y 0.1662822E-12 GRAD(Rho)z 0.6293622E-12 Laplacian 0.8625571E+00 (-1/4)Del**2(Rho)) -0.2156393E+00 Diamond 0.3091757E+01 Metallicity 0.7491860E+01 Ellipticity 0.1101306E-03 Gb(Abramov) 0.4130161E+00 Vb(Abramov) -0.6103929E+00 Hb(Abramov) -0.1973768E+00 Ex_ueg -0.1111894E+00 Ec_ueg -0.1455601E-01 Delta_ex -0.1044862E+00 Delta_ec 0.1915866E-01 Delta_et -0.2660828E+00 Pxc 0.7638723E+01 Qxc -0.5453730E+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 82 101 113 111 148 146 124 57 134 114 115 109 125 145 130 180 150 152 138 129 181 137 112 117 139 143 184 156 183 157 174 158 182 162 175 161 176 80 78 102 81 103 62 76 83 95 82 178 77 88 70 91 177 86 69 92 67 89 73 58 68 165 173 154 169 160 170 153 168 163 171 167 185 141 119 142 93 65 172 121 128 99 123 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 2.410893 1.904186 2.001103 1.908811 1.995143 1.714852 2.374882 1.918498 1.960368 1.922574 1.963065 1.725441 2.412854 1.901603 2.001139 1.906375 1.999689 1.714897 2.410944 1.912427 1.979038 1.922831 1.989414 1.714659 2.365965 1.971192 1.915788 1.968257 1.912188 1.725703 2.362232 1.983668 1.906278 1.972307 1.908359 1.726409 2.418690 1.985746 1.889785 2.013551 1.919472 1.715418 2.429777 1.974302 1.891612 2.002663 1.936358 1.714473 2.379854 1.900295 1.984124 1.906530 1.977757 1.726198 2.367303 1.905151 1.982544 1.900780 1.981090 1.726575 2.414072 1.901811 1.969799 1.932705 2.002020 1.714254 2.416312 1.909110 1.960769 1.932967 2.002772 1.714193 1.695497 1.698502 1.695325 1.694052 3.266372 3.263442 3.265891 3.269804 3.267885 3.265273 2.412509 1.904748 2.001753 1.909567 1.996046 1.714868 2.376621 1.918977 1.960728 1.923252 1.963719 1.725445 2.414424 1.902176 2.001782 1.907127 2.000610 1.714913 2.412561 1.913026 1.979575 1.923660 1.990272 1.714673 2.367744 1.971590 1.916216 1.968913 1.912832 1.725708 2.363962 1.984043 1.906747 1.972961 1.908987 1.726416 2.420284 1.986288 1.890385 2.014445 1.920268 1.715433 2.431311 1.974810 1.892212 2.003613 1.937201 1.714485 2.381607 1.900775 1.984502 1.907152 1.978427 1.726202 2.369107 1.905635 1.982917 1.901397 1.981744 1.726579 2.415612 1.902355 1.970358 1.933540 2.002920 1.714267 2.417853 1.909650 1.961288 1.933826 2.003663 1.714208 1.695502 1.698507 1.695329 1.694057 3.275326 3.272465 3.278719 3.278825 3.278445 3.274081 32 27 28 27 25 24 30 27 27 28 28 23 27 27 28 24 26 23 30 28 30 27 27 25 30 27 25 29 24 22 27 25 25 27 24 24 32 28 27 28 29 24 30 27 27 27 28 23 30 27 27 26 27 23 30 27 27 27 28 22 27 27 27 27 25 24 27 27 25 29 25 25 26 23 23 26 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 Mo W Mo Mo W W Mo Mo W W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 2.3865 2.5068 2.3850 2.3826 2.4925 2.4849 2.3897 2.4012 2.4989 2.4817 2.3901 2.3883 -1.1374 -1.1412 -1.1368 -1.1373 -0.9216 -0.9137 -0.9220 -0.9102 -0.9228 -0.8957 -0.9114 -0.9118 -0.8936 -0.8938 -0.9213 -0.9488 -0.9025 -0.9136 -0.9033 -0.9110 -0.8792 -0.8796 -0.9012 -0.9426 -0.9080 -0.8817 -0.9101 -0.9103 -0.6598 -0.7387 -0.6601 -0.6594 -0.7375 -0.7390 -0.6624 -0.6610 -0.7409 -0.7401 -0.6583 -0.6582 2.4897 1.9246 2.0831 1.9236 1.9273 2.0870 2.0866 1.9231 1.9338 2.0828 2.0881 1.9237 1.9306 1.9375 1.9361 1.9377 1.9382 1.9389 1.9407 1.9388 1.9420 1.9385 1.9436 1.9414 1.9416 1.9444 1.9443 1.9392 1.9354 1.9527 1.9496 1.9526 1.9512 1.9533 1.9533 1.9528 1.9490 1.9506 1.9526 1.9512 1.9512 1.9859 1.9744 1.9858 1.9859 1.9747 1.9742 1.9856 1.9861 1.9740 1.9741 1.9862 1.9864 0.8043 6.0584 6.0848 6.0591 6.0607 6.0889 6.0888 6.0591 6.0486 6.0843 6.0894 6.0591 6.0613 5.1606 5.1657 5.1598 5.1597 4.9542 4.9449 4.9549 4.9400 4.9561 4.9258 4.9420 4.9423 4.9227 4.9231 4.9538 4.9832 4.9192 4.9332 4.9203 4.9290 4.8973 4.8976 4.9179 4.9609 4.9268 4.9007 4.9280 4.9283 4.6377 4.7261 4.6381 4.6373 4.7246 4.7267 4.6407 4.6388 4.7289 4.7280 4.6358 4.6355 1.1541 3.6305 3.2964 3.6323 3.6294 3.3027 3.3107 3.6282 3.6164 3.3051 3.3118 3.6271 3.6197 0.0393 0.0394 0.0393 0.0395 0.0285 0.0281 0.0284 0.0281 0.0282 0.0264 0.0280 0.0279 0.0265 0.0264 0.0282 0.0302 0.0306 0.0307 0.0303 0.0308 0.0286 0.0287 0.0305 0.0328 0.0306 0.0284 0.0308 0.0309 0.0362 0.0382 0.0362 0.0362 0.0382 0.0381 0.0361 0.0362 0.0380 0.0380 0.0363 0.0363 10.5520 0.0000 14.0289 0.0000 0.0000 14.0289 14.0289 0.0000 0.0000 14.0288 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 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 Mo W Mo Mo W W Mo Mo W W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 3.178941 2.521820 3.178861 3.180524 2.521107 2.518730 3.178381 3.178721 2.518049 2.518293 3.179373 3.180638 -1.177591 -1.138269 -1.176879 -1.175710 -1.044217 -1.059896 -1.042583 -1.058021 -1.050259 -1.165360 -1.059567 -1.059330 -1.162301 -1.161798 -1.042739 -0.938639 -1.019214 -1.007876 -1.019818 -1.001579 -1.122078 -1.123205 -1.021498 -0.909093 -1.023536 -1.125279 -1.004694 -1.003674 -0.924409 -0.761978 -0.924712 -0.923743 -0.760137 -0.762041 -0.927151 -0.926105 -0.764658 -0.763391 -0.922103 -0.922922 2.324617 2.385114 1.958931 2.385518 2.385007 1.963824 1.968833 2.383724 2.379886 1.965002 1.969279 2.385423 2.379219 -0.875138 -0.821023 -0.874336 -0.875429 -0.801596 -0.808140 -0.802740 -0.808377 -0.802565 -0.903484 -0.810062 -0.808992 -0.906767 -0.907482 -0.800752 -0.702550 -0.817451 -0.821732 -0.818878 -0.817395 -0.903169 -0.907120 -0.817027 -0.734203 -0.822356 -0.904810 -0.815996 -0.812954 -0.672802 -0.638752 -0.672835 -0.672925 -0.631613 -0.630988 -0.676522 -0.679707 -0.638230 -0.632249 -0.670239 -0.674351 1.683976 2.462250 2.052583 2.462620 2.462385 2.056623 2.061323 2.461167 2.458143 2.058537 2.061683 2.462584 2.456504 -0.891567 -0.852934 -0.890705 -0.891202 -0.880012 -0.885890 -0.881665 -0.887675 -0.880636 -0.979569 -0.890360 -0.889821 -0.979412 -0.980106 -0.881244 -0.784827 -0.857628 -0.854802 -0.859236 -0.854570 -0.936920 -0.942785 -0.853050 -0.767418 -0.858270 -0.941124 -0.852649 -0.847196 -0.633201 -0.604288 -0.632996 -0.632212 -0.593663 -0.593800 -0.636841 -0.642189 -0.604824 -0.595058 -0.628489 -0.632706 1.667135 0.77593012 0.68837057 1.04992779 1.47589632 -3.15162340 0.21470191 0.28467099 0.89032288 -3.73892644 2.26130052 -374.2866 413.4284 -122.0025 -355.3666 -10.3146 -448.5418 Jun12-2024 03:42:04 Nodes: 1 Procs: 1 Jun12-2024 03:42:06 Nodes: 1 Procs: 1 0 Jun12-2024 03:42:09 Nodes: 1 Procs: 1 Jun12-2024 03:42:11 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 03:42:14 Nodes: 1 Procs: 1 Jun12-2024 03:42:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 03:42:18 Nodes: 1 Procs: 1 Jun12-2024 03:42:20 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 03:42:26 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.41026604 -16.47711430 -16.48087341 -16.48249000 -16.48299656 -16.48336279 -16.48342900 -16.48348275 -16.48350443 -16.48352766 -16.48353827 -16.48355720 -16.48357406 -16.48359123 -16.48360914 GEOMETRY CONVERGED