ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.04 0.84 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 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.06 0.05 1.32 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 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d 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) 1.00 0.05 1.98 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 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Arsenic (TZP, 3p 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) 0.69 0.04 0.95 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 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:13 Hydrogen (TZP) c11-20 c11-20 c11-20 c11-20 c11-20 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.78 0.06 2.08 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 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:13 Nodes: 1 Procs: 1 Jun10-2024 15:29:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:26 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2281.6382000000003 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun10-2024 15:29:17 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun10-2024 15:28:56 1 1 Arsenic TZP 3p t21.Mo ADF 2019.304 Jun10-2024 15:28:46 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun10-2024 15:29:08 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun10-2024 15:28:35 1 1 Hydrogen TZP 1 1 -15.84537418 0.25852753 0.00100000 F 0.09802053 0.00066667 F 0.25852753 0.09802053 0.29963889 0.01000000 F 0.07153787 0.00666667 F Cartesian 2281.6382000000003 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0.3190179E+03 3,-3 14 3 -3 -1.073656 -0.972382 -1.012358 Rho 0.3190832E+03 3,-3 15 3 -3 0.961143 0.947721 -0.976122 Rho 0.3190112E+03 3,-3 16 3 -3 -0.983092 0.966629 1.006237 Rho 0.3190061E+03 3,-3 17 3 -3 -3.048914 -1.116269 1.214702 Rho 0.3190159E+03 3,-3 18 3 -3 3.105407 -1.127697 -1.128273 Rho 0.3189966E+03 3,-3 19 3 -3 -3.012891 1.124062 -1.127595 Rho 0.3189395E+03 3,-3 20 3 -3 2.985914 1.174961 1.199221 Rho 0.3188645E+03 3,-3 21 3 -3 1.383689 -1.258731 -3.083509 Rho 0.3188281E+03 3,-3 22 3 -3 1.111760 1.169594 2.986849 Rho 0.3188942E+03 3,-3 23 3 -3 -1.134101 1.073464 -3.029232 Rho 0.3188771E+03 3,-3 24 3 -3 -1.165889 -1.146662 3.059929 Rho 0.3190041E+03 3,-3 25 3 -3 -1.162509 2.945596 -1.175162 Rho 0.3189511E+03 3,-3 26 3 -3 -1.191042 -2.951327 1.180134 Rho 0.3189338E+03 3,-3 27 3 -3 1.119845 3.026216 1.108193 Rho 0.3188736E+03 3,-3 28 3 -3 1.237586 -3.071396 -1.155813 Rho 0.3192871E+03 3,-3 29 3 -3 3.403167 -1.487038 1.579752 Rho 0.3190650E+03 3,-3 30 3 -3 -3.519648 -1.498281 -1.471346 Rho 0.3190682E+03 3,-3 31 3 -3 3.443729 1.520731 -1.469775 Rho 0.3190353E+03 3,-3 32 3 -3 -3.460075 1.524068 1.550554 Rho 0.3191290E+03 3,-3 33 3 -3 1.439725 -1.484365 3.441401 Rho 0.3189570E+03 3,-3 34 3 -3 1.538117 1.463726 -3.411502 Rho 0.3190569E+03 3,-3 35 3 -3 -1.547692 1.580196 3.422377 Rho 0.3190445E+03 3,-3 36 3 -3 -1.891867 -1.615056 -3.533797 Rho 0.3187486E+03 3,-3 37 3 -3 -1.609567 -3.536984 -1.383753 Rho 0.3188026E+03 3,-3 38 3 -3 -1.527984 3.424723 1.482498 Rho 0.3190513E+03 3,-3 39 3 -3 1.532404 -3.425664 1.549909 Rho 0.3190238E+03 3,-3 40 3 -3 1.533573 3.380529 -1.532574 Rho 0.3189750E+03 3,-3 41 3 -3 -0.211029 -3.788487 3.712554 Rho 0.3193600E+03 3,-3 42 3 -3 3.884783 -0.098125 -3.755907 Rho 0.3194952E+03 3,-3 43 3 -3 -0.203601 3.696722 -3.728321 Rho 0.3193671E+03 3,-3 44 3 -3 0.222845 3.772795 3.705640 Rho 0.3193602E+03 3,-3 45 3 -3 3.791366 -3.757488 -0.222810 Rho 0.3194606E+03 3,-3 46 3 -3 3.745799 3.739962 0.240215 Rho 0.3193681E+03 3,-3 47 3 -3 -3.792952 3.717830 -0.193097 Rho 0.3195056E+03 3,-3 48 3 -3 -3.895044 -3.647683 0.279618 Rho 0.3195062E+03 3,-3 49 3 -3 -3.790156 0.370986 -3.700186 Rho 0.3193637E+03 3,-3 50 3 -3 -3.718431 -0.202699 3.844246 Rho 0.3195068E+03 3,-3 51 3 -3 3.701152 0.186363 3.804068 Rho 0.3193554E+03 3,-3 52 3 -3 -1.588417 -2.358278 -2.949734 Rho 0.4460602E+00 3,-3 53 3 -3 -0.634635 -3.400377 -1.242193 Rho 0.4452151E+00 3,-3 54 3 -3 1.186485 -1.972238 -2.397220 Rho 0.4287899E+00 3,-3 55 3 +1 -1.695388 0.575874 -0.473634 Rho 0.9658427E-02 |GRAD(Rho)| 0.2163397E-13 GRAD(Rho)x -0.1723113E-13 GRAD(Rho)y 0.9634391E-14 GRAD(Rho)z -0.8848461E-14 Laplacian 0.3731244E-01 (-1/4)Del**2(Rho)) -0.9328110E-02 Diamond 0.1176810E-02 Metallicity 0.8089783E+00 Ellipticity -0.1516837E+01 Gb(Abramov) 0.7476446E-02 Vb(Abramov) -0.5624783E-02 Hb(Abramov) 0.1851664E-02 Ex_ueg -0.1519125E-02 Ec_ueg -0.3525824E-03 Delta_ex -0.1758376E-02 Delta_ec 0.5298668E-03 Delta_et -0.3727127E-02 Pxc 0.4308568E+01 Qxc -0.3318524E+01 3,+1 56 3 +3 -0.077800 -2.370424 -0.145239 Rho 0.4042962E-02 |GRAD(Rho)| 0.2885851E-15 GRAD(Rho)x 0.1705059E-15 GRAD(Rho)y -0.2184338E-15 GRAD(Rho)z 0.8059624E-16 Laplacian 0.1614238E-01 (-1/4)Del**2(Rho)) -0.4035595E-02 Diamond 0.1181057E-03 Metallicity 0.4380044E+00 Ellipticity -0.3795897E+00 Gb(Abramov) 0.2984998E-02 Vb(Abramov) -0.1934401E-02 Hb(Abramov) 0.1050597E-02 Ex_ueg -0.4756834E-03 Ec_ueg -0.1059629E-03 Delta_ex -0.5676417E-03 Delta_ec 0.1454776E-03 Delta_et -0.8904555E-03 Pxc 0.4489148E+01 Qxc -0.3901917E+01 3,+3 57 3 -1 -1.769419 1.705874 0.582515 Rho 0.4450629E-01 |GRAD(Rho)| 0.1796615E-12 GRAD(Rho)x -0.1054895E-14 GRAD(Rho)y 0.1666636E-12 GRAD(Rho)z 0.6708508E-13 Laplacian 0.1859397E+00 (-1/4)Del**2(Rho)) -0.4648493E-01 Diamond 0.8188959E-01 Metallicity 0.2071461E+01 Ellipticity 0.1212582E-01 Gb(Abramov) 0.4703857E-01 Vb(Abramov) -0.4759221E-01 Hb(Abramov) -0.5536420E-03 Ex_ueg -0.1164878E-01 Ec_ueg -0.2113531E-02 Delta_ex -0.1493677E-01 Delta_ec 0.5673156E-02 Delta_et -0.5804025E-01 Pxc 0.5511523E+01 Qxc -0.2632886E+01 3,-1 58 3 -1 -1.852129 2.723175 -0.527820 Rho 0.1026099E+00 |GRAD(Rho)| 0.4967993E-13 GRAD(Rho)x -0.4159041E-13 GRAD(Rho)y 0.1439905E-13 GRAD(Rho)z -0.2304346E-13 Laplacian 0.4274348E+00 (-1/4)Del**2(Rho)) -0.1068587E+00 Diamond 0.5447111E+00 Metallicity 0.3625702E+01 Ellipticity 0.7492952E-02 Gb(Abramov) 0.1358121E+00 Vb(Abramov) -0.1647655E+00 Hb(Abramov) -0.2895341E-01 Ex_ueg -0.3547896E-01 Ec_ueg -0.5483421E-02 Delta_ex -0.4184497E-01 Delta_ec 0.1174268E-01 Delta_et -0.1464715E+00 Pxc 0.6470223E+01 Qxc -0.3563494E+01 3,-1 59 3 -1 -3.050289 -0.830104 -1.975733 Rho 0.1163190E+00 |GRAD(Rho)| 0.2894346E-15 GRAD(Rho)x 0.1751325E-15 GRAD(Rho)y 0.1739670E-15 GRAD(Rho)z -0.1511175E-15 Laplacian 0.4433318E+00 (-1/4)Del**2(Rho)) -0.1108330E+00 Diamond 0.6700716E+00 Metallicity 0.4308262E+01 Ellipticity 0.2908885E-02 Gb(Abramov) 0.1534715E+00 Vb(Abramov) -0.1961101E+00 Hb(Abramov) -0.4263858E-01 Ex_ueg -0.4193590E-01 Ec_ueg -0.6323789E-02 Delta_ex -0.4488723E-01 Delta_ec 0.1216098E-01 Delta_et -0.1557716E+00 Pxc 0.6631452E+01 Qxc -0.3691087E+01 3,-1 60 3 +1 -2.928835 -0.172051 -0.128753 Rho 0.5549572E-02 |GRAD(Rho)| 0.8730966E-14 GRAD(Rho)x -0.5298719E-15 GRAD(Rho)y -0.6601456E-14 GRAD(Rho)z -0.5689445E-14 Laplacian 0.2301201E-01 (-1/4)Del**2(Rho)) -0.5753003E-02 Diamond 0.5856928E-03 Metallicity 0.5209041E+00 Ellipticity -0.2726266E+01 Gb(Abramov) 0.4334796E-02 Vb(Abramov) -0.2916588E-02 Hb(Abramov) 0.1418207E-02 Ex_ueg -0.7256565E-03 Ec_ueg -0.1706393E-03 Delta_ex -0.1141928E-02 Delta_ec 0.6788461E-03 Delta_et -0.3822132E-02 Pxc 0.4252576E+01 Qxc -0.1682160E+01 3,+1 61 3 +1 -2.938014 0.204413 0.244389 Rho 0.5483134E-02 |GRAD(Rho)| 0.2820090E-13 GRAD(Rho)x 0.3644690E-14 GRAD(Rho)y 0.2793639E-13 GRAD(Rho)z -0.1250950E-14 Laplacian 0.2287414E-01 (-1/4)Del**2(Rho)) -0.5718535E-02 Diamond 0.5470263E-03 Metallicity 0.5136293E+00 Ellipticity -0.2120815E+01 Gb(Abramov) 0.4301891E-02 Vb(Abramov) -0.2885247E-02 Hb(Abramov) 0.1416644E-02 Ex_ueg -0.7140964E-03 Ec_ueg -0.1677629E-03 Delta_ex -0.1111171E-02 Delta_ec 0.6369603E-03 Delta_et -0.3589607E-02 Pxc 0.4256581E+01 Qxc -0.1744490E+01 3,+1 62 3 +1 -2.196106 1.077950 1.419147 Rho 0.2596796E-01 |GRAD(Rho)| 0.6765542E-16 GRAD(Rho)x -0.6186653E-16 GRAD(Rho)y 0.2690143E-16 GRAD(Rho)z 0.5108937E-17 Laplacian 0.1018044E+00 (-1/4)Del**2(Rho)) -0.2545109E-01 Diamond 0.1376299E-01 Metallicity 0.1541380E+01 Ellipticity -0.3411251E+01 Gb(Abramov) 0.2350570E-01 Vb(Abramov) -0.2156030E-01 Hb(Abramov) 0.1945398E-02 Ex_ueg -0.5679395E-02 Ec_ueg -0.1137572E-02 Delta_ex -0.6368781E-02 Delta_ec 0.1678357E-02 Delta_et -0.1496311E-01 Pxc 0.4992560E+01 Qxc -0.3794652E+01 3,+1 63 3 -1 -3.158030 -0.068768 3.287794 Rho 0.2369281E+00 |GRAD(Rho)| 0.9008790E-16 GRAD(Rho)x 0.1734723E-17 GRAD(Rho)y 0.1718460E-16 GRAD(Rho)z -0.8841669E-16 Laplacian 0.8521418E+00 (-1/4)Del**2(Rho)) -0.2130355E+00 Diamond 0.2977857E+01 Metallicity 0.7336051E+01 Ellipticity 0.1415655E-02 Gb(Abramov) 0.4024968E+00 Vb(Abramov) -0.5919582E+00 Hb(Abramov) -0.1894614E+00 Ex_ueg -0.1082781E+00 Ec_ueg -0.1422702E-01 Delta_ex -0.1026670E+00 Delta_ec 0.1899730E-01 Delta_et -0.2634630E+00 Pxc 0.7610734E+01 Qxc -0.5404296E+01 3,-1 64 3 -1 -1.717601 0.515563 1.792503 Rho 0.4317707E-01 |GRAD(Rho)| 0.2861121E-16 GRAD(Rho)x 0.2437951E-16 GRAD(Rho)y -0.2511770E-17 GRAD(Rho)z 0.1476251E-16 Laplacian 0.1783309E+00 (-1/4)Del**2(Rho)) -0.4458273E-01 Diamond 0.7542924E-01 Metallicity 0.2053408E+01 Ellipticity 0.1834890E-01 Gb(Abramov) 0.4497957E-01 Vb(Abramov) -0.4537641E-01 Hb(Abramov) -0.3968440E-03 Ex_ueg -0.1118723E-01 Ec_ueg -0.2041352E-02 Delta_ex -0.1422137E-01 Delta_ec 0.5447876E-02 Delta_et -0.5528563E-01 Pxc 0.5480305E+01 Qxc -0.2610443E+01 3,-1 65 3 -1 -3.226418 0.160706 -3.179826 Rho 0.2470987E+00 |GRAD(Rho)| 0.9962141E-15 GRAD(Rho)x 0.6620138E-15 GRAD(Rho)y -0.5727569E-15 GRAD(Rho)z 0.4755311E-15 Laplacian 0.9189296E+00 (-1/4)Del**2(Rho)) -0.2297324E+00 Diamond 0.3339368E+01 Metallicity 0.7296505E+01 Ellipticity 0.3740659E-02 Gb(Abramov) 0.4325289E+00 Vb(Abramov) -0.6353253E+00 Hb(Abramov) -0.2027965E+00 Ex_ueg -0.1145194E+00 Ec_ueg -0.1493120E-01 Delta_ex -0.1117386E+00 Delta_ec 0.1988006E-01 Delta_et -0.2744971E+00 Pxc 0.7669801E+01 Qxc -0.5620638E+01 3,-1 66 3 +1 0.338306 -1.582892 -1.638657 Rho 0.5748543E-02 |GRAD(Rho)| 0.1749105E-13 GRAD(Rho)x 0.9205536E-15 GRAD(Rho)y -0.1596246E-13 GRAD(Rho)z -0.7091493E-14 Laplacian 0.2269652E-01 (-1/4)Del**2(Rho)) -0.5674130E-02 Diamond 0.5220739E-03 Metallicity 0.5600801E+00 Ellipticity -0.1905929E+01 Gb(Abramov) 0.4312415E-02 Vb(Abramov) -0.2950699E-02 Hb(Abramov) 0.1361716E-02 Ex_ueg -0.7605517E-03 Ec_ueg -0.1792665E-03 Delta_ex -0.1069789E-02 Delta_ec 0.5544136E-03 Delta_et -0.3203209E-02 Pxc 0.4242575E+01 Qxc -0.1929587E+01 3,+1 67 3 -1 -1.841748 -1.692202 -0.538623 Rho 0.4529290E-01 |GRAD(Rho)| 0.5469423E-17 GRAD(Rho)x 0.4321986E-17 GRAD(Rho)y 0.2905535E-17 GRAD(Rho)z -0.1671196E-17 Laplacian 0.1863207E+00 (-1/4)Del**2(Rho)) -0.4658018E-01 Diamond 0.8405508E-01 Metallicity 0.2128476E+01 Ellipticity 0.1807301E-01 Gb(Abramov) 0.4757759E-01 Vb(Abramov) -0.4857499E-01 Hb(Abramov) -0.9974091E-03 Ex_ueg -0.1192409E-01 Ec_ueg -0.2156384E-02 Delta_ex -0.1503372E-01 Delta_ec 0.5685883E-02 Delta_et -0.5844351E-01 Pxc 0.5529669E+01 Qxc -0.2644042E+01 3,-1 68 3 -1 -3.103537 -1.951875 -0.825145 Rho 0.1524534E+00 |GRAD(Rho)| 0.2012557E-13 GRAD(Rho)x 0.5842711E-14 GRAD(Rho)y -0.1245263E-13 GRAD(Rho)z 0.1469126E-13 Laplacian 0.6004027E+00 (-1/4)Del**2(Rho)) -0.1501007E+00 Diamond 0.1227577E+01 Metallicity 0.4993428E+01 Ellipticity 0.8710367E-01 Gb(Abramov) 0.2249866E+00 Vb(Abramov) -0.2998726E+00 Hb(Abramov) -0.7488594E-01 Ex_ueg -0.6014983E-01 Ec_ueg -0.8600749E-02 Delta_ex -0.6460801E-01 Delta_ec 0.1494453E-01 Delta_et -0.1988486E+00 Pxc 0.6993557E+01 Qxc -0.4323187E+01 3,-1 69 3 -1 -2.989993 0.837997 2.058506 Rho 0.1052131E+00 |GRAD(Rho)| 0.5745306E-13 GRAD(Rho)x 0.1882686E-13 GRAD(Rho)y 0.2713908E-13 GRAD(Rho)z -0.4700930E-13 Laplacian 0.4085733E+00 (-1/4)Del**2(Rho)) -0.1021433E+00 Diamond 0.5370941E+00 Metallicity 0.3954817E+01 Ellipticity 0.2558886E-01 Gb(Abramov) 0.1354219E+00 Vb(Abramov) -0.1687005E+00 Hb(Abramov) -0.3327859E-01 Ex_ueg -0.3668414E-01 Ec_ueg -0.5641913E-02 Delta_ex -0.4024149E-01 Delta_ec 0.1117465E-01 Delta_et -0.1400764E+00 Pxc 0.6502075E+01 Qxc -0.3601141E+01 3,-1 70 3 +3 -2.368615 0.031438 0.082442 Rho 0.4858331E-02 |GRAD(Rho)| 0.5165099E-17 GRAD(Rho)x 0.3406465E-17 GRAD(Rho)y -0.2656504E-17 GRAD(Rho)z 0.2831471E-17 Laplacian 0.1992118E-01 (-1/4)Del**2(Rho)) -0.4980294E-02 Diamond 0.1954451E-03 Metallicity 0.4820700E+00 Ellipticity -0.3905281E+00 Gb(Abramov) 0.3720338E-02 Vb(Abramov) -0.2460381E-02 Hb(Abramov) 0.1259956E-02 Ex_ueg -0.6077168E-03 Ec_ueg -0.1408213E-03 Delta_ex -0.7423268E-03 Delta_ec 0.1940387E-03 Delta_et -0.1220439E-02 Pxc 0.4315517E+01 Qxc -0.3825665E+01 3,+3 71 3 +1 -0.544441 0.532136 -1.665338 Rho 0.9465574E-02 |GRAD(Rho)| 0.1128267E-16 GRAD(Rho)x 0.1538255E-17 GRAD(Rho)y 0.9113512E-17 GRAD(Rho)z -0.6471199E-17 Laplacian 0.3700013E-01 (-1/4)Del**2(Rho)) -0.9250032E-02 Diamond 0.1120712E-02 Metallicity 0.7888387E+00 Ellipticity -0.1476060E+01 Gb(Abramov) 0.7382818E-02 Vb(Abramov) -0.5515605E-02 Hb(Abramov) 0.1867213E-02 Ex_ueg -0.1478817E-02 Ec_ueg -0.3438727E-03 Delta_ex -0.1728932E-02 Delta_ec 0.5151220E-03 Delta_et -0.3612796E-02 Pxc 0.4300476E+01 Qxc -0.3356355E+01 3,+1 72 3 -1 -3.048047 1.976442 0.907111 Rho 0.1565781E+00 |GRAD(Rho)| 0.2919943E-15 GRAD(Rho)x -0.8727827E-17 GRAD(Rho)y -0.1663573E-15 GRAD(Rho)z 0.2398120E-15 Laplacian 0.6070765E+00 (-1/4)Del**2(Rho)) -0.1517691E+00 Diamond 0.1285753E+01 Metallicity 0.5163229E+01 Ellipticity 0.7004848E-01 Gb(Abramov) 0.2317825E+00 Vb(Abramov) -0.3117960E+00 Hb(Abramov) -0.8001342E-01 Ex_ueg -0.6232941E-01 Ec_ueg -0.8865928E-02 Delta_ex -0.6579773E-01 Delta_ec 0.1507787E-01 Delta_et -0.2014914E+00 Pxc 0.7030219E+01 Qxc -0.4363863E+01 3,-1 73 3 +1 -2.209031 -2.192703 -2.038280 Rho 0.1093212E-01 |GRAD(Rho)| 0.9114204E-15 GRAD(Rho)x 0.3682690E-15 GRAD(Rho)y 0.5521488E-15 GRAD(Rho)z 0.6246574E-15 Laplacian 0.4876426E-01 (-1/4)Del**2(Rho)) -0.1219106E-01 Diamond 0.1567227E-02 Metallicity 0.7609429E+00 Ellipticity -0.1256098E+01 Gb(Abramov) 0.9673493E-02 Vb(Abramov) -0.7155922E-02 Hb(Abramov) 0.2517571E-02 Ex_ueg -0.1791943E-02 Ec_ueg -0.4104990E-03 Delta_ex -0.2289089E-02 Delta_ec 0.5438843E-03 Delta_et -0.4057585E-02 Pxc 0.4365279E+01 Qxc -0.4208779E+01 3,+1 74 3 +1 -1.718419 -0.527398 0.565504 Rho 0.8875470E-02 |GRAD(Rho)| 0.1265363E-15 GRAD(Rho)x 0.7841190E-16 GRAD(Rho)y 0.9929595E-16 GRAD(Rho)z -0.1822726E-17 Laplacian 0.3361747E-01 (-1/4)Del**2(Rho)) -0.8404367E-02 Diamond 0.9556848E-03 Metallicity 0.7798908E+00 Ellipticity -0.1517210E+01 Gb(Abramov) 0.6695326E-02 Vb(Abramov) -0.4986285E-02 Hb(Abramov) 0.1709041E-02 Ex_ueg -0.1357189E-02 Ec_ueg -0.3173222E-03 Delta_ex -0.1555242E-02 Delta_ec 0.4858018E-03 Delta_et -0.3337179E-02 Pxc 0.4277005E+01 Qxc -0.3201393E+01 3,+1 75 3 -1 -2.853418 -1.760965 0.600017 Rho 0.1347050E+00 |GRAD(Rho)| 0.1138080E-12 GRAD(Rho)x 0.1143462E-13 GRAD(Rho)y -0.8235783E-13 GRAD(Rho)z -0.7770909E-13 Laplacian 0.5603741E+00 (-1/4)Del**2(Rho)) -0.1400935E+00 Diamond 0.9851663E+00 Metallicity 0.4352859E+01 Ellipticity 0.1732867E-01 Gb(Abramov) 0.1950303E+00 Vb(Abramov) -0.2499670E+00 Hb(Abramov) -0.5493673E-01 Ex_ueg -0.5099920E-01 Ec_ueg -0.7471725E-02 Delta_ex -0.5847272E-01 Delta_ec 0.1433424E-01 Delta_et -0.1872849E+00 Pxc 0.6825626E+01 Qxc -0.4079235E+01 3,-1 76 3 -1 -1.892979 -2.714198 0.573825 Rho 0.1098856E+00 |GRAD(Rho)| 0.3736924E-14 GRAD(Rho)x -0.3127815E-14 GRAD(Rho)y -0.1648402E-14 GRAD(Rho)z -0.1210017E-14 Laplacian 0.4571067E+00 (-1/4)Del**2(Rho)) -0.1142767E+00 Diamond 0.6327813E+00 Metallicity 0.3800407E+01 Ellipticity 0.1406274E-01 Gb(Abramov) 0.1485674E+00 Vb(Abramov) -0.1828582E+00 Hb(Abramov) -0.3429076E-01 Ex_ueg -0.3887222E-01 Ec_ueg -0.5927681E-02 Delta_ex -0.4547873E-01 Delta_ec 0.1236876E-01 Delta_et -0.1563001E+00 Pxc 0.6557745E+01 Qxc -0.3676902E+01 3,-1 77 3 +1 -0.168483 -2.281642 -1.107811 Rho 0.7056893E-02 |GRAD(Rho)| 0.4143475E-16 GRAD(Rho)x 0.1839771E-16 GRAD(Rho)y 0.2956283E-16 GRAD(Rho)z -0.2245889E-16 Laplacian 0.2772793E-01 (-1/4)Del**2(Rho)) -0.6931982E-02 Diamond 0.7770265E-03 Metallicity 0.6452355E+00 Ellipticity -0.1848124E+01 Gb(Abramov) 0.5366782E-02 Vb(Abramov) -0.3801581E-02 Hb(Abramov) 0.1565201E-02 Ex_ueg -0.9997001E-03 Ec_ueg -0.2364756E-03 Delta_ex -0.1328639E-02 Delta_ec 0.6101782E-03 Delta_et -0.3774242E-02 Pxc 0.4227498E+01 Qxc -0.2177461E+01 3,+1 78 3 +1 -2.273472 -1.258467 -1.171322 Rho 0.2900121E-01 |GRAD(Rho)| 0.3265094E-16 GRAD(Rho)x 0.3079924E-16 GRAD(Rho)y 0.1078167E-16 GRAD(Rho)z -0.1116392E-17 Laplacian 0.1201213E+00 (-1/4)Del**2(Rho)) -0.3003032E-01 Diamond 0.2105697E-01 Metallicity 0.1570436E+01 Ellipticity -0.8228744E+01 Gb(Abramov) 0.2788033E-01 Vb(Abramov) -0.2573034E-01 Hb(Abramov) 0.2149992E-02 Ex_ueg -0.6580718E-02 Ec_ueg -0.1292205E-02 Delta_ex -0.7933297E-02 Delta_ec 0.2321793E-02 Delta_et -0.2120963E-01 Pxc 0.5092629E+01 Qxc -0.3416884E+01 3,+1 79 3 -1 -3.248409 3.156497 -0.018044 Rho 0.2366485E+00 |GRAD(Rho)| 0.1761209E-13 GRAD(Rho)x 0.1411951E-13 GRAD(Rho)y -0.8745500E-14 GRAD(Rho)z 0.5860140E-14 Laplacian 0.8546529E+00 (-1/4)Del**2(Rho)) -0.2136632E+00 Diamond 0.2978227E+01 Metallicity 0.7300116E+01 Ellipticity 0.1146037E-02 Gb(Abramov) 0.4024032E+00 Vb(Abramov) -0.5911432E+00 Hb(Abramov) -0.1887400E+00 Ex_ueg -0.1081077E+00 Ec_ueg -0.1420774E-01 Delta_ex -0.1029153E+00 Delta_ec 0.1901956E-01 Delta_et -0.2635854E+00 Pxc 0.7609072E+01 Qxc -0.5411023E+01 3,-1 80 3 -1 -2.778463 -0.548535 1.886187 Rho 0.1308743E+00 |GRAD(Rho)| 0.2737948E-12 GRAD(Rho)x -0.2087244E-12 GRAD(Rho)y 0.5221224E-13 GRAD(Rho)z -0.1693269E-12 Laplacian 0.5429068E+00 (-1/4)Del**2(Rho)) -0.1357267E+00 Diamond 0.9257617E+00 Metallicity 0.4281984E+01 Ellipticity 0.2523134E-02 Gb(Abramov) 0.1873477E+00 Vb(Abramov) -0.2389688E+00 Hb(Abramov) -0.5162103E-01 Ex_ueg -0.4907468E-01 Ec_ueg -0.7230679E-02 Delta_ex -0.5630040E-01 Delta_ec 0.1406631E-01 Delta_et -0.1831200E+00 Pxc 0.6787008E+01 Qxc -0.4002500E+01 3,-1 81 3 +1 -1.783400 -1.709966 1.791051 Rho 0.1207897E-01 |GRAD(Rho)| 0.1363921E-15 GRAD(Rho)x -0.8388929E-17 GRAD(Rho)y -0.1049895E-15 GRAD(Rho)z -0.8665822E-16 Laplacian 0.6036966E-01 (-1/4)Del**2(Rho)) -0.1509241E-01 Diamond 0.2433470E-02 Metallicity 0.7258461E+00 Ellipticity -0.1255182E+01 Gb(Abramov) 0.1188740E-01 Vb(Abramov) -0.8682395E-02 Hb(Abramov) 0.3205010E-02 Ex_ueg -0.2046877E-02 Ec_ueg -0.4632160E-03 Delta_ex -0.2970452E-02 Delta_ec 0.7798063E-03 Delta_et -0.5859537E-02 Pxc 0.4418840E+01 Qxc -0.3809217E+01 3,+1 82 3 -1 -2.787738 0.556779 -1.795826 Rho 0.1422581E+00 |GRAD(Rho)| 0.2759026E-12 GRAD(Rho)x 0.7903021E-13 GRAD(Rho)y -0.1473134E-12 GRAD(Rho)z -0.2194885E-12 Laplacian 0.6040233E+00 (-1/4)Del**2(Rho)) -0.1510058E+00 Diamond 0.1150759E+01 Metallicity 0.4422705E+01 Ellipticity 0.4836903E-02 Gb(Abramov) 0.2119796E+00 Vb(Abramov) -0.2729534E+00 Hb(Abramov) -0.6097376E-01 Ex_ueg -0.5484721E-01 Ec_ueg -0.7949780E-02 Delta_ex -0.6405328E-01 Delta_ec 0.1556879E-01 Delta_et -0.2057694E+00 Pxc 0.6899211E+01 Qxc -0.4114210E+01 3,-1 83 3 -1 -2.936672 -0.024086 0.017573 Rho 0.5579073E-02 |GRAD(Rho)| 0.2705255E-15 GRAD(Rho)x 0.2200058E-15 GRAD(Rho)y -0.9809109E-16 GRAD(Rho)z -0.1231246E-15 Laplacian 0.2247046E-01 (-1/4)Del**2(Rho)) -0.5617615E-02 Diamond 0.6994921E-03 Metallicity 0.5381929E+00 Ellipticity 0.2359805E+01 Gb(Abramov) 0.4248970E-02 Vb(Abramov) -0.2880325E-02 Hb(Abramov) 0.1368645E-02 Ex_ueg -0.7308044E-03 Ec_ueg -0.1719172E-03 Delta_ex -0.1215318E-02 Delta_ec 0.8397654E-03 Delta_et -0.4660326E-02 Pxc 0.4250910E+01 Qxc -0.1447211E+01 3,-1 84 3 +1 -1.367814 1.110152 2.195905 Rho 0.2817398E-01 |GRAD(Rho)| 0.2520650E-16 GRAD(Rho)x 0.5453418E-17 GRAD(Rho)y -0.2457025E-16 GRAD(Rho)z 0.1389518E-17 Laplacian 0.1134200E+00 (-1/4)Del**2(Rho)) -0.2835501E-01 Diamond 0.1765375E-01 Metallicity 0.1584907E+01 Ellipticity -0.4168700E+01 Gb(Abramov) 0.2639335E-01 Vb(Abramov) -0.2443168E-01 Hb(Abramov) 0.1961663E-02 Ex_ueg -0.6331636E-02 Ec_ueg -0.1249809E-02 Delta_ex -0.7299133E-02 Delta_ec 0.1951972E-02 Delta_et -0.1773253E-01 Pxc 0.5066082E+01 Qxc -0.3739363E+01 3,+1 85 3 +3 -1.161382 -1.079484 1.163185 Rho 0.5272267E-02 |GRAD(Rho)| 0.2652388E-17 GRAD(Rho)x 0.2079891E-17 GRAD(Rho)y -0.8008697E-18 GRAD(Rho)z -0.1437992E-17 Laplacian 0.2037644E-01 (-1/4)Del**2(Rho)) -0.5094111E-02 Diamond 0.1511961E-03 Metallicity 0.5401078E+00 Ellipticity -0.2037051E+00 Gb(Abramov) 0.3854635E-02 Vb(Abramov) -0.2615160E-02 Hb(Abramov) 0.1239475E-02 Ex_ueg -0.6777168E-03 Ec_ueg -0.1586483E-03 Delta_ex -0.7128710E-03 Delta_ec 0.8693994E-04 Delta_et -0.7026049E-03 Pxc 0.4271819E+01 Qxc -0.8199580E+01 3,+3 86 3 -1 -2.090305 -3.023436 -0.759459 Rho 0.1276739E+00 |GRAD(Rho)| 0.8582253E-15 GRAD(Rho)x -0.6042259E-15 GRAD(Rho)y 0.1713988E-15 GRAD(Rho)z -0.5848796E-15 Laplacian 0.4587493E+00 (-1/4)Del**2(Rho)) -0.1146873E+00 Diamond 0.7791639E+00 Metallicity 0.4862665E+01 Ellipticity 0.1139080E+00 Gb(Abramov) 0.1694059E+00 Vb(Abramov) -0.2241245E+00 Hb(Abramov) -0.5471858E-01 Ex_ueg -0.4748113E-01 Ec_ueg -0.7030037E-02 Delta_ex -0.4753444E-01 Delta_ec 0.1239399E-01 Delta_et -0.1615116E+00 Pxc 0.6754037E+01 Qxc -0.3835281E+01 3,-1 87 3 +3 -1.146796 1.106331 -1.115035 Rho 0.5590717E-02 |GRAD(Rho)| 0.3286918E-15 GRAD(Rho)x -0.5453833E-16 GRAD(Rho)y -0.3217792E-15 GRAD(Rho)z -0.3901330E-16 Laplacian 0.2171465E-01 (-1/4)Del**2(Rho)) -0.5428663E-02 Diamond 0.1728106E-03 Metallicity 0.5588640E+00 Ellipticity -0.2810193E+00 Gb(Abramov) 0.4124756E-02 Vb(Abramov) -0.2820849E-02 Hb(Abramov) 0.1303907E-02 Ex_ueg -0.7328388E-03 Ec_ueg -0.1724217E-03 Delta_ex -0.7707971E-03 Delta_ec 0.9004526E-04 Delta_et -0.7423827E-03 Pxc 0.4250270E+01 Qxc -0.8560108E+01 3,+3 88 3 +1 -1.749318 1.685016 -1.756490 Rho 0.1203040E-01 |GRAD(Rho)| 0.1923381E-14 GRAD(Rho)x -0.1098875E-14 GRAD(Rho)y 0.5138196E-15 GRAD(Rho)z 0.1492600E-14 Laplacian 0.5961414E-01 (-1/4)Del**2(Rho)) -0.1490353E-01 Diamond 0.2383933E-02 Metallicity 0.7301250E+00 Ellipticity -0.1264748E+01 Gb(Abramov) 0.1174926E-01 Vb(Abramov) -0.8594992E-02 Hb(Abramov) 0.3154271E-02 Ex_ueg -0.2035909E-02 Ec_ueg -0.4609724E-03 Delta_ex -0.2928476E-02 Delta_ec 0.7670458E-03 Delta_et -0.5760301E-02 Pxc 0.4416553E+01 Qxc -0.3817864E+01 3,+1 89 3 +1 -0.625945 -1.635944 0.510618 Rho 0.9296452E-02 |GRAD(Rho)| 0.1591445E-16 GRAD(Rho)x -0.4771760E-17 GRAD(Rho)y -0.1256232E-16 GRAD(Rho)z 0.8525731E-17 Laplacian 0.3537918E-01 (-1/4)Del**2(Rho)) -0.8844794E-02 Diamond 0.1084480E-02 Metallicity 0.8005605E+00 Ellipticity -0.1550815E+01 Gb(Abramov) 0.7076662E-02 Vb(Abramov) -0.5308529E-02 Hb(Abramov) 0.1768133E-02 Ex_ueg -0.1443693E-02 Ec_ueg -0.3362480E-03 Delta_ex -0.1661392E-02 Delta_ec 0.5207704E-03 Delta_et -0.3613083E-02 Pxc 0.4293535E+01 Qxc -0.3190259E+01 3,+1 90 3 +1 -1.339607 2.164645 1.141415 Rho 0.2828359E-01 |GRAD(Rho)| 0.4921864E-16 GRAD(Rho)x 0.4634683E-17 GRAD(Rho)y -0.4688268E-16 GRAD(Rho)z -0.1424809E-16 Laplacian 0.1146276E+00 (-1/4)Del**2(Rho)) -0.2865690E-01 Diamond 0.1858168E-01 Metallicity 0.1578391E+01 Ellipticity -0.5328557E+01 Gb(Abramov) 0.2664324E-01 Vb(Abramov) -0.2462957E-01 Hb(Abramov) 0.2013667E-02 Ex_ueg -0.6364501E-02 Ec_ueg -0.1255417E-02 Delta_ex -0.7443901E-02 Delta_ec 0.2078733E-02 Delta_et -0.1888725E-01 Pxc 0.5069630E+01 Qxc -0.3580980E+01 3,+1 91 3 -1 -1.627645 -2.742502 -2.380070 Rho 0.2567976E-01 |GRAD(Rho)| 0.4069274E-16 GRAD(Rho)x 0.1421654E-17 GRAD(Rho)y -0.2421317E-16 GRAD(Rho)z 0.3267416E-16 Laplacian 0.8017650E-01 (-1/4)Del**2(Rho)) -0.2004412E-01 Diamond 0.2423205E-01 Metallicity 0.1921104E+01 Ellipticity 0.3265194E-01 Gb(Abramov) 0.1978056E-01 Vb(Abramov) -0.1951699E-01 Hb(Abramov) 0.2635655E-03 Ex_ueg -0.5595509E-02 Ec_ueg -0.1123000E-02 Delta_ex -0.6421507E-02 Delta_ec 0.3858456E-02 Delta_et -0.3375173E-01 Pxc 0.4982646E+01 Qxc -0.1664269E+01 3,-1 92 3 +1 -0.544472 -0.560851 1.690930 Rho 0.8424645E-02 |GRAD(Rho)| 0.5710407E-14 GRAD(Rho)x 0.2123739E-14 GRAD(Rho)y 0.3295813E-14 GRAD(Rho)z -0.4151637E-14 Laplacian 0.3278165E-01 (-1/4)Del**2(Rho)) -0.8195414E-02 Diamond 0.8474675E-03 Metallicity 0.7332212E+00 Ellipticity -0.1431569E+01 Gb(Abramov) 0.6465118E-02 Vb(Abramov) -0.4734822E-02 Hb(Abramov) 0.1730296E-02 Ex_ueg -0.1266059E-02 Ec_ueg -0.2971411E-03 Delta_ex -0.1487252E-02 Delta_ec 0.4567210E-03 Delta_et -0.3108902E-02 Pxc 0.4260800E+01 Qxc -0.3256368E+01 3,+1 93 3 -1 0.252105 -1.164119 -1.917332 Rho 0.6221290E-02 |GRAD(Rho)| 0.1578846E-16 GRAD(Rho)x 0.4536275E-17 GRAD(Rho)y -0.5227624E-17 GRAD(Rho)z -0.1419048E-16 Laplacian 0.2461532E-01 (-1/4)Del**2(Rho)) -0.6153829E-02 Diamond 0.9251803E-03 Metallicity 0.5891264E+00 Ellipticity 0.3535793E+00 Gb(Abramov) 0.4706783E-02 Vb(Abramov) -0.3259737E-02 Hb(Abramov) 0.1447046E-02 Ex_ueg -0.8450692E-03 Ec_ueg -0.1998426E-03 Delta_ex -0.1384962E-02 Delta_ec 0.9670823E-03 Delta_et -0.5532245E-02 Pxc 0.4228673E+01 Qxc -0.1432103E+01 3,-1 94 3 +3 -1.904241 -1.982788 -1.896526 Rho 0.1024440E-01 |GRAD(Rho)| 0.1343278E-16 GRAD(Rho)x 0.5059541E-17 GRAD(Rho)y 0.9975678E-17 GRAD(Rho)z 0.7438173E-17 Laplacian 0.4630361E-01 (-1/4)Del**2(Rho)) -0.1157590E-01 Diamond 0.8560501E-03 Metallicity 0.7191328E+00 Ellipticity -0.6214195E+00 Gb(Abramov) 0.9104703E-02 Vb(Abramov) -0.6633504E-02 Hb(Abramov) 0.2471199E-02 Ex_ueg -0.1643238E-02 Ec_ueg -0.3791432E-03 Delta_ex -0.1955963E-02 Delta_ec 0.1946142E-03 Delta_et -0.1739820E-02 Pxc 0.4334081E+01 Qxc -0.1005047E+02 3,+3 95 3 -1 -2.199302 -0.911425 -3.051562 Rho 0.1500715E+00 |GRAD(Rho)| 0.2398265E-13 GRAD(Rho)x -0.8112326E-14 GRAD(Rho)y 0.2025149E-13 GRAD(Rho)z 0.9961663E-14 Laplacian 0.5722089E+00 (-1/4)Del**2(Rho)) -0.1430522E+00 Diamond 0.1185272E+01 Metallicity 0.5103745E+01 Ellipticity 0.1255070E+00 Gb(Abramov) 0.2170518E+00 Vb(Abramov) -0.2910515E+00 Hb(Abramov) -0.7399962E-01 Ex_ueg -0.5890011E-01 Ec_ueg -0.8448092E-02 Delta_ex -0.6170618E-01 Delta_ec 0.1496135E-01 Delta_et -0.2002051E+00 Pxc 0.6972001E+01 Qxc -0.4124372E+01 3,-1 96 3 -1 -2.030217 2.974986 0.867049 Rho 0.1392738E+00 |GRAD(Rho)| 0.5200935E-13 GRAD(Rho)x -0.3502071E-13 GRAD(Rho)y -0.1831213E-13 GRAD(Rho)z -0.3381108E-13 Laplacian 0.5427591E+00 (-1/4)Del**2(Rho)) -0.1356898E+00 Diamond 0.9989876E+00 Metallicity 0.4751036E+01 Ellipticity 0.5340912E-01 Gb(Abramov) 0.1979044E+00 Vb(Abramov) -0.2601189E+00 Hb(Abramov) -0.6221458E-01 Ex_ueg -0.5331845E-01 Ec_ueg -0.7760458E-02 Delta_ex -0.5716055E-01 Delta_ec 0.1388447E-01 Delta_et -0.1825574E+00 Pxc 0.6870529E+01 Qxc -0.4116869E+01 3,-1 97 3 +1 -1.523559 -2.025654 -1.938158 Rho 0.1080601E-01 |GRAD(Rho)| 0.2590679E-16 GRAD(Rho)x 0.4357049E-17 GRAD(Rho)y 0.2166984E-16 GRAD(Rho)z 0.1351282E-16 Laplacian 0.4786832E-01 (-1/4)Del**2(Rho)) -0.1196708E-01 Diamond 0.1558920E-02 Metallicity 0.7603387E+00 Ellipticity -0.1281378E+01 Gb(Abramov) 0.9494559E-02 Vb(Abramov) -0.7022038E-02 Hb(Abramov) 0.2472521E-02 Ex_ueg -0.1764434E-02 Ec_ueg -0.4047345E-03 Delta_ex -0.2254958E-02 Delta_ec 0.5604714E-03 Delta_et -0.4144953E-02 Pxc 0.4359485E+01 Qxc -0.4023323E+01 3,+1 98 3 -1 -0.248398 -1.410934 -3.241336 Rho 0.4213004E-02 |GRAD(Rho)| 0.9141663E-17 GRAD(Rho)x -0.8950670E-17 GRAD(Rho)y -0.1710553E-17 GRAD(Rho)z -0.7276806E-18 Laplacian 0.1604386E-01 (-1/4)Del**2(Rho)) -0.4010966E-02 Diamond 0.4428549E-03 Metallicity 0.4720167E+00 Ellipticity 0.7201566E-01 Gb(Abramov) 0.2989517E-02 Vb(Abramov) -0.1968069E-02 Hb(Abramov) 0.1021448E-02 Ex_ueg -0.5025442E-03 Ec_ueg -0.1132040E-03 Delta_ex -0.9419900E-03 Delta_ec 0.8085460E-03 Delta_et -0.4046054E-02 Pxc 0.4439280E+01 Qxc -0.1165042E+01 3,-1 99 3 -1 -1.796945 -0.572025 2.846764 Rho 0.1571224E+00 |GRAD(Rho)| 0.1846579E-15 GRAD(Rho)x 0.1188286E-15 GRAD(Rho)y 0.1312427E-15 GRAD(Rho)z -0.5247539E-16 Laplacian 0.6588270E+00 (-1/4)Del**2(Rho)) -0.1647067E+00 Diamond 0.1383651E+01 Metallicity 0.4785256E+01 Ellipticity 0.3497727E-01 Gb(Abramov) 0.2411652E+00 Vb(Abramov) -0.3176236E+00 Hb(Abramov) -0.7645842E-01 Ex_ueg -0.6261847E-01 Ec_ueg -0.8900997E-02 Delta_ex -0.7130393E-01 Delta_ec 0.1605569E-01 Delta_et -0.2139234E+00 Pxc 0.7034995E+01 Qxc -0.4441039E+01 3,-1 100 3 +1 1.650873 0.506635 0.543242 Rho 0.8026333E-02 |GRAD(Rho)| 0.5909721E-17 GRAD(Rho)x 0.2116818E-17 GRAD(Rho)y -0.3760535E-17 GRAD(Rho)z 0.4037606E-17 Laplacian 0.3163195E-01 (-1/4)Del**2(Rho)) -0.7907986E-02 Diamond 0.7683749E-03 Metallicity 0.7009427E+00 Ellipticity -0.1404180E+01 Gb(Abramov) 0.6195832E-02 Vb(Abramov) -0.4483677E-02 Hb(Abramov) 0.1712155E-02 Ex_ueg -0.1186883E-02 Ec_ueg -0.2793862E-03 Delta_ex -0.1419047E-02 Delta_ec 0.4432078E-03 Delta_et -0.2977468E-02 Pxc 0.4248181E+01 Qxc -0.3201765E+01 3,+1 101 3 -1 -1.780222 -0.515546 -1.746014 Rho 0.5494003E-01 |GRAD(Rho)| 0.1717858E-13 GRAD(Rho)x -0.1110858E-13 GRAD(Rho)y 0.5656075E-14 GRAD(Rho)z -0.1181998E-13 Laplacian 0.2213097E+00 (-1/4)Del**2(Rho)) -0.5532744E-01 Diamond 0.1279523E+00 Metallicity 0.2472260E+01 Ellipticity 0.1814821E-01 Gb(Abramov) 0.5968226E-01 Vb(Abramov) -0.6403708E-01 Hb(Abramov) -0.4354820E-02 Ex_ueg -0.1542542E-01 Ec_ueg -0.2689706E-02 Delta_ex -0.1867188E-01 Delta_ec 0.6618871E-02 Delta_et -0.7153042E-01 Pxc 0.5734981E+01 Qxc -0.2821007E+01 3,-1 102 3 -1 -1.797165 0.535425 -2.797130 Rho 0.1565536E+00 |GRAD(Rho)| 0.6853435E-12 GRAD(Rho)x 0.5180716E-12 GRAD(Rho)y 0.4200359E-12 GRAD(Rho)z -0.1576941E-12 Laplacian 0.6527261E+00 (-1/4)Del**2(Rho)) -0.1631815E+00 Diamond 0.1390285E+01 Metallicity 0.4800878E+01 Ellipticity 0.1551045E-01 Gb(Abramov) 0.2393568E+00 Vb(Abramov) -0.3155320E+00 Hb(Abramov) -0.7617526E-01 Ex_ueg -0.6231642E-01 Ec_ueg -0.8864351E-02 Delta_ex -0.7081900E-01 Delta_ec 0.1634851E-01 Delta_et -0.2188049E+00 Pxc 0.7030004E+01 Qxc -0.4331832E+01 3,-1 103 3 +1 -0.585752 1.621395 -0.514911 Rho 0.9149053E-02 |GRAD(Rho)| 0.3501854E-15 GRAD(Rho)x 0.3050110E-15 GRAD(Rho)y -0.1492424E-15 GRAD(Rho)z -0.8558493E-16 Laplacian 0.3522177E-01 (-1/4)Del**2(Rho)) -0.8805442E-02 Diamond 0.1032210E-02 Metallicity 0.7830009E+00 Ellipticity -0.1494610E+01 Gb(Abramov) 0.7019406E-02 Vb(Abramov) -0.5233370E-02 Hb(Abramov) 0.1786036E-02 Ex_ueg -0.1413253E-02 Ec_ueg -0.3296127E-03 Delta_ex -0.1637302E-02 Delta_ec 0.5005465E-03 Delta_et -0.3472059E-02 Pxc 0.4287617E+01 Qxc -0.3271029E+01 3,+1 104 3 -1 -1.992148 0.874195 3.035494 Rho 0.1350023E+00 |GRAD(Rho)| 0.7263868E-13 GRAD(Rho)x -0.4652944E-13 GRAD(Rho)y -0.5518649E-13 GRAD(Rho)z -0.8114183E-14 Laplacian 0.5277777E+00 (-1/4)Del**2(Rho)) -0.1319444E+00 Diamond 0.9347826E+00 Metallicity 0.4638714E+01 Ellipticity 0.5477108E-01 Gb(Abramov) 0.1899717E+00 Vb(Abramov) -0.2479989E+00 Hb(Abramov) -0.5802726E-01 Ex_ueg -0.5114935E-01 Ec_ueg -0.7490474E-02 Delta_ex -0.5515210E-01 Delta_ec 0.1358451E-01 Delta_et -0.1777324E+00 Pxc 0.6828586E+01 Qxc -0.4059927E+01 3,-1 105 3 +1 0.066480 -2.935018 0.050750 Rho 0.4734468E-02 |GRAD(Rho)| 0.3240541E-17 GRAD(Rho)x 0.3865959E-18 GRAD(Rho)y -0.5648346E-18 GRAD(Rho)z 0.3167430E-17 Laplacian 0.1865356E-01 (-1/4)Del**2(Rho)) -0.4663391E-02 Diamond 0.4078392E-03 Metallicity 0.4931398E+00 Ellipticity -0.3431950E+01 Gb(Abramov) 0.3492211E-02 Vb(Abramov) -0.2321032E-02 Hb(Abramov) 0.1171180E-02 Ex_ueg -0.5871468E-03 Ec_ueg -0.1355038E-03 Delta_ex -0.9213584E-03 Delta_ec 0.5938034E-03 Delta_et -0.3169796E-02 Pxc 0.4333064E+01 Qxc -0.1551622E+01 3,+1 106 3 +1 1.231256 -1.191203 2.161948 Rho 0.2783945E-01 |GRAD(Rho)| 0.7730583E-16 GRAD(Rho)x -0.2288950E-16 GRAD(Rho)y -0.5613807E-18 GRAD(Rho)z -0.7383730E-16 Laplacian 0.1112478E+00 (-1/4)Del**2(Rho)) -0.2781195E-01 Diamond 0.1755799E-01 Metallicity 0.1584004E+01 Ellipticity -0.5468081E+01 Gb(Abramov) 0.2588367E-01 Vb(Abramov) -0.2395540E-01 Hb(Abramov) 0.1928277E-02 Ex_ueg -0.6231597E-02 Ec_ueg -0.1232712E-02 Delta_ex -0.7185808E-02 Delta_ec 0.2002770E-02 Delta_et -0.1812851E-01 Pxc 0.5055193E+01 Qxc -0.3587935E+01 3,+1 107 3 -1 0.823411 -1.995999 2.979875 Rho 0.1347374E+00 |GRAD(Rho)| 0.1708344E-15 GRAD(Rho)x 0.1389812E-15 GRAD(Rho)y -0.7646336E-16 GRAD(Rho)z 0.6341905E-16 Laplacian 0.5283250E+00 (-1/4)Del**2(Rho)) -0.1320812E+00 Diamond 0.9449329E+00 Metallicity 0.4618760E+01 Ellipticity 0.2892541E-01 Gb(Abramov) 0.1897294E+00 Vb(Abramov) -0.2473776E+00 Hb(Abramov) -0.5764818E-01 Ex_ueg -0.5101553E-01 Ec_ueg -0.7473765E-02 Delta_ex -0.5531383E-01 Delta_ec 0.1383874E-01 Delta_et -0.1814690E+00 Pxc 0.6825948E+01 Qxc -0.3997027E+01 3,-1 108 3 +1 -0.245283 2.900630 0.186895 Rho 0.5589102E-02 |GRAD(Rho)| 0.1195198E-16 GRAD(Rho)x 0.9505032E-17 GRAD(Rho)y -0.1760881E-17 GRAD(Rho)z 0.7028756E-17 Laplacian 0.2341937E-01 (-1/4)Del**2(Rho)) -0.5854844E-02 Diamond 0.5439669E-03 Metallicity 0.5179342E+00 Ellipticity -0.1856338E+01 Gb(Abramov) 0.4408633E-02 Vb(Abramov) -0.2962422E-02 Hb(Abramov) 0.1446211E-02 Ex_ueg -0.7325564E-03 Ec_ueg -0.1723517E-03 Delta_ex -0.1117521E-02 Delta_ec 0.6082411E-03 Delta_et -0.3467004E-02 Pxc 0.4250358E+01 Qxc -0.1837300E+01 3,+1 109 3 +1 1.715475 1.768980 1.738942 Rho 0.1240650E-01 |GRAD(Rho)| 0.7512152E-15 GRAD(Rho)x -0.6125890E-15 GRAD(Rho)y 0.2844623E-15 GRAD(Rho)z 0.3288469E-15 Laplacian 0.6221027E-01 (-1/4)Del**2(Rho)) -0.1555257E-01 Diamond 0.2589020E-02 Metallicity 0.7364894E+00 Ellipticity -0.1259728E+01 Gb(Abramov) 0.1227743E-01 Vb(Abramov) -0.9002289E-02 Hb(Abramov) 0.3275139E-02 Ex_ueg -0.2121212E-02 Ec_ueg -0.4783668E-03 Delta_ex -0.3079318E-02 Delta_ec 0.7974629E-03 Delta_et -0.6036050E-02 Pxc 0.4434279E+01 Qxc -0.3861394E+01 3,+1 110 3 -1 -0.854242 2.992938 1.960094 Rho 0.1308301E+00 |GRAD(Rho)| 0.2199446E-15 GRAD(Rho)x -0.1227317E-15 GRAD(Rho)y -0.4675622E-16 GRAD(Rho)z 0.1764268E-15 Laplacian 0.5140656E+00 (-1/4)Del**2(Rho)) -0.1285164E+00 Diamond 0.8892010E+00 Metallicity 0.4519679E+01 Ellipticity 0.2800566E-01 Gb(Abramov) 0.1824864E+00 Vb(Abramov) -0.2364564E+00 Hb(Abramov) -0.5397001E-01 Ex_ueg -0.4905260E-01 Ec_ueg -0.7227906E-02 Delta_ex -0.5346026E-01 Delta_ec 0.1359704E-01 Delta_et -0.1775289E+00 Pxc 0.6786558E+01 Qxc -0.3931758E+01 3,-1 111 3 +1 -0.312869 -1.281067 -2.684576 Rho 0.3600292E-02 |GRAD(Rho)| 0.4075660E-17 GRAD(Rho)x 0.3522570E-17 GRAD(Rho)y -0.5617069E-18 GRAD(Rho)z -0.1971544E-17 Laplacian 0.1418884E-01 (-1/4)Del**2(Rho)) -0.3547209E-02 Diamond 0.1568406E-03 Metallicity 0.4107358E+00 Ellipticity -0.1381109E+01 Gb(Abramov) 0.2607634E-02 Vb(Abramov) -0.1668058E-02 Hb(Abramov) 0.9395754E-03 Ex_ueg -0.4075385E-03 Ec_ueg -0.8718407E-04 Delta_ex -0.5825711E-03 Delta_ec 0.3028480E-03 Delta_et -0.1549307E-02 Pxc 0.4674461E+01 Qxc -0.1923642E+01 3,+1 112 3 +1 -0.189303 0.167965 2.911621 Rho 0.5515348E-02 |GRAD(Rho)| 0.1152445E-15 GRAD(Rho)x -0.8630580E-16 GRAD(Rho)y 0.7637097E-16 GRAD(Rho)z 0.2919021E-18 Laplacian 0.2279378E-01 (-1/4)Del**2(Rho)) -0.5698444E-02 Diamond 0.6056454E-03 Metallicity 0.5204972E+00 Ellipticity -0.3696838E+01 Gb(Abramov) 0.4293300E-02 Vb(Abramov) -0.2888156E-02 Hb(Abramov) 0.1405144E-02 Ex_ueg -0.7196958E-03 Ec_ueg -0.1691573E-03 Delta_ex -0.1154398E-02 Delta_ec 0.7165075E-03 Delta_et -0.4007957E-02 Pxc 0.4254595E+01 Qxc -0.1611145E+01 3,+1 113 3 -1 -0.558330 -0.487316 -0.505938 Rho 0.1919847E+00 |GRAD(Rho)| 0.1365789E-11 GRAD(Rho)x 0.7981012E-12 GRAD(Rho)y 0.7596181E-12 GRAD(Rho)z 0.8070905E-12 Laplacian 0.5279094E+00 (-1/4)Del**2(Rho)) -0.1319774E+00 Diamond 0.1446663E+01 Metallicity 0.8339973E+01 Ellipticity 0.1944266E-01 Gb(Abramov) 0.2714328E+00 Vb(Abramov) -0.4108883E+00 Hb(Abramov) -0.1394555E+00 Ex_ueg -0.8179758E-01 Ec_ueg -0.1118343E-01 Delta_ex -0.6035293E-01 Delta_ec 0.1266652E-01 Delta_et -0.1738500E+00 Pxc 0.7314178E+01 Qxc -0.4764759E+01 3,-1 114 3 +3 0.015257 -0.055479 2.320730 Rho 0.4666311E-02 |GRAD(Rho)| 0.2514576E-15 GRAD(Rho)x -0.1247382E-15 GRAD(Rho)y 0.1189192E-15 GRAD(Rho)z -0.1831106E-15 Laplacian 0.1911257E-01 (-1/4)Del**2(Rho)) -0.4778142E-02 Diamond 0.1671208E-03 Metallicity 0.4698041E+00 Ellipticity -0.3244885E+00 Gb(Abramov) 0.3559560E-02 Vb(Abramov) -0.2340978E-02 Hb(Abramov) 0.1218582E-02 Ex_ueg -0.5759038E-03 Ec_ueg -0.1325812E-03 Delta_ex -0.6943349E-03 Delta_ec 0.1672524E-03 Delta_et -0.1066599E-02 Pxc 0.4343783E+01 Qxc -0.4151419E+01 3,+3 115 3 -1 1.708178 -0.577853 1.718317 Rho 0.4370064E-01 |GRAD(Rho)| 0.2165964E-15 GRAD(Rho)x 0.1564813E-15 GRAD(Rho)y 0.7233767E-16 GRAD(Rho)z 0.1311292E-15 Laplacian 0.1751404E+00 (-1/4)Del**2(Rho)) -0.4378509E-01 Diamond 0.7266208E-01 Metallicity 0.2133241E+01 Ellipticity 0.2189461E-01 Gb(Abramov) 0.4475742E-01 Vb(Abramov) -0.4572974E-01 Hb(Abramov) -0.9723257E-03 Ex_ueg -0.1136847E-01 Ec_ueg -0.2069747E-02 Delta_ex -0.1387252E-01 Delta_ec 0.5106758E-02 Delta_et -0.5194966E-01 Pxc 0.5492686E+01 Qxc -0.2716502E+01 3,-1 116 3 -1 -0.508004 0.444757 0.466860 Rho 0.1801873E+00 |GRAD(Rho)| 0.2168335E-15 GRAD(Rho)x 0.1353084E-15 GRAD(Rho)y -0.1144917E-15 GRAD(Rho)z -0.1249001E-15 Laplacian 0.4828048E+00 (-1/4)Del**2(Rho)) -0.1207012E+00 Diamond 0.1240945E+01 Metallicity 0.8204430E+01 Ellipticity 0.6223281E-02 Gb(Abramov) 0.2455149E+00 Vb(Abramov) -0.3703286E+00 Hb(Abramov) -0.1248137E+00 Ex_ueg -0.7516526E-01 Ec_ueg -0.1040319E-01 Delta_ex -0.5443646E-01 Delta_ec 0.1198869E-01 Delta_et -0.1641133E+00 Pxc 0.7225210E+01 Qxc -0.4540651E+01 3,-1 117 3 +1 0.526951 0.472628 1.662639 Rho 0.8652657E-02 |GRAD(Rho)| 0.1019869E-16 GRAD(Rho)x -0.6196504E-17 GRAD(Rho)y -0.4037983E-17 GRAD(Rho)z -0.7022194E-17 Laplacian 0.3406518E-01 (-1/4)Del**2(Rho)) -0.8516296E-02 Diamond 0.9077825E-03 Metallicity 0.7377087E+00 Ellipticity -0.1424633E+01 Gb(Abramov) 0.6724622E-02 Vb(Abramov) -0.4932947E-02 Hb(Abramov) 0.1791674E-02 Ex_ueg -0.1311951E-02 Ec_ueg -0.3073368E-03 Delta_ex -0.1553515E-02 Delta_ec 0.4702067E-03 Delta_et -0.3226306E-02 Pxc 0.4268774E+01 Qxc -0.3303899E+01 3,+1 118 3 +3 -0.042405 2.281899 0.014063 Rho 0.4861818E-02 |GRAD(Rho)| 0.9702645E-17 GRAD(Rho)x 0.4121874E-17 GRAD(Rho)y -0.6381144E-17 GRAD(Rho)z -0.6035932E-17 Laplacian 0.1988650E-01 (-1/4)Del**2(Rho)) -0.4971624E-02 Diamond 0.1827423E-03 Metallicity 0.4834884E+00 Ellipticity -0.3712232E+00 Gb(Abramov) 0.3715037E-02 Vb(Abramov) -0.2458449E-02 Hb(Abramov) 0.1256588E-02 Ex_ueg -0.6082984E-03 Ec_ueg -0.1409711E-03 Delta_ex -0.7290703E-03 Delta_ec 0.1720978E-03 Delta_et -0.1110947E-02 Pxc 0.4315057E+01 Qxc -0.4236373E+01 3,+3 119 3 +1 0.499874 -0.754611 -1.755544 Rho 0.5702970E-02 |GRAD(Rho)| 0.1464867E-16 GRAD(Rho)x -0.1958050E-17 GRAD(Rho)y 0.1251724E-16 GRAD(Rho)z 0.7353124E-17 Laplacian 0.2224291E-01 (-1/4)Del**2(Rho)) -0.5560727E-02 Diamond 0.4697492E-03 Metallicity 0.5639708E+00 Ellipticity -0.1716121E+01 Gb(Abramov) 0.4229833E-02 Vb(Abramov) -0.2898938E-02 Hb(Abramov) 0.1330894E-02 Ex_ueg -0.7525230E-03 Ec_ueg -0.1772888E-03 Delta_ex -0.1018244E-02 Delta_ec 0.4926541E-03 Delta_et -0.2865779E-02 Pxc 0.4244618E+01 Qxc -0.2066854E+01 3,+1 120 3 -1 0.126330 -1.985685 -1.050386 Rho 0.7497607E-02 |GRAD(Rho)| 0.3396769E-16 GRAD(Rho)x -0.3344544E-17 GRAD(Rho)y -0.2452325E-17 GRAD(Rho)z 0.3371356E-16 Laplacian 0.2863416E-01 (-1/4)Del**2(Rho)) -0.7158540E-02 Diamond 0.1316971E-02 Metallicity 0.6911938E+00 Ellipticity 0.6088231E+00 Gb(Abramov) 0.5597017E-02 Vb(Abramov) -0.4035493E-02 Hb(Abramov) 0.1561524E-02 Ex_ueg -0.1083799E-02 Ec_ueg -0.2559293E-03 Delta_ex -0.1632308E-02 Delta_ec 0.1060956E-02 Delta_et -0.6443991E-02 Pxc 0.4234758E+01 Qxc -0.1538525E+01 3,-1 121 3 -1 -0.528924 1.719069 1.726983 Rho 0.5055083E-01 |GRAD(Rho)| 0.3427369E-15 GRAD(Rho)x -0.1591513E-15 GRAD(Rho)y -0.1997410E-15 GRAD(Rho)z -0.2285672E-15 Laplacian 0.2041070E+00 (-1/4)Del**2(Rho)) -0.5102675E-01 Diamond 0.1042037E+00 Metallicity 0.2333292E+01 Ellipticity 0.1434883E-01 Gb(Abramov) 0.5386122E-01 Vb(Abramov) -0.5669569E-01 Hb(Abramov) -0.2834467E-02 Ex_ueg -0.1380457E-01 Ec_ueg -0.2445344E-02 Delta_ex -0.1681231E-01 Delta_ec 0.6019171E-02 Delta_et -0.6363444E-01 Pxc 0.5645244E+01 Qxc -0.2793127E+01 3,-1 122 3 -1 -0.552335 1.750940 -2.762079 Rho 0.1257553E+00 |GRAD(Rho)| 0.2525276E-15 GRAD(Rho)x 0.1629420E-15 GRAD(Rho)y 0.1888680E-15 GRAD(Rho)z -0.3935654E-16 Laplacian 0.5282544E+00 (-1/4)Del**2(Rho)) -0.1320636E+00 Diamond 0.8692203E+00 Metallicity 0.4117628E+01 Ellipticity 0.1296923E-01 Gb(Abramov) 0.1786739E+00 Vb(Abramov) -0.2252841E+00 Hb(Abramov) -0.4661027E-01 Ex_ueg -0.4653218E-01 Ec_ueg -0.6910086E-02 Delta_ex -0.5438979E-01 Delta_ec 0.1405678E-01 Delta_et -0.1822467E+00 Pxc 0.6733952E+01 Qxc -0.3869294E+01 3,-1 123 3 +3 1.019142 -1.136040 -1.212108 Rho 0.4324440E-02 |GRAD(Rho)| 0.5991035E-17 GRAD(Rho)x 0.4464793E-17 GRAD(Rho)y 0.4111816E-18 GRAD(Rho)z -0.3973544E-17 Laplacian 0.1672397E-01 (-1/4)Del**2(Rho)) -0.4180992E-02 Diamond 0.1292523E-03 Metallicity 0.4729591E+00 Ellipticity -0.5060951E+00 Gb(Abramov) 0.3116901E-02 Vb(Abramov) -0.2052810E-02 Hb(Abramov) 0.1064091E-02 Ex_ueg -0.5203452E-03 Ec_ueg -0.1179575E-03 Delta_ex -0.5928339E-03 Delta_ec 0.1410592E-03 Delta_et -0.8913211E-03 Pxc 0.4411292E+01 Qxc -0.4202730E+01 3,+3 124 3 -1 -0.578800 -2.770101 1.791386 Rho 0.1567655E+00 |GRAD(Rho)| 0.1365926E-12 GRAD(Rho)x 0.9206749E-13 GRAD(Rho)y 0.2251612E-13 GRAD(Rho)z 0.9835725E-13 Laplacian 0.6566309E+00 (-1/4)Del**2(Rho)) -0.1641577E+00 Diamond 0.1392461E+01 Metallicity 0.4783099E+01 Ellipticity 0.2102836E-01 Gb(Abramov) 0.2403023E+00 Vb(Abramov) -0.3164468E+00 Hb(Abramov) -0.7614454E-01 Ex_ueg -0.6242891E-01 Ec_ueg -0.8878001E-02 Delta_ex -0.7118747E-01 Delta_ec 0.1629960E-01 Delta_et -0.2178413E+00 Pxc 0.7031865E+01 Qxc -0.4367437E+01 3,-1 125 3 -1 -0.553887 -1.827171 2.779869 Rho 0.1121223E+00 |GRAD(Rho)| 0.2590408E-13 GRAD(Rho)x 0.1618338E-13 GRAD(Rho)y -0.1961561E-13 GRAD(Rho)z -0.4934296E-14 Laplacian 0.4678662E+00 (-1/4)Del**2(Rho)) -0.1169666E+00 Diamond 0.6732315E+00 Metallicity 0.3839824E+01 Ellipticity 0.1795193E-01 Gb(Abramov) 0.1528329E+00 Vb(Abramov) -0.1886992E+00 Hb(Abramov) -0.3586632E-01 Ex_ueg -0.3993076E-01 Ec_ueg -0.6065053E-02 Delta_ex -0.4691338E-01 Delta_ec 0.1285468E-01 Delta_et -0.1634191E+00 Pxc 0.6583745E+01 Qxc -0.3649518E+01 3,-1 126 3 -1 -0.575259 2.732514 -1.783573 Rho 0.1660500E+00 |GRAD(Rho)| 0.9397455E-14 GRAD(Rho)x 0.5916681E-14 GRAD(Rho)y -0.1760324E-14 GRAD(Rho)z -0.7085641E-14 Laplacian 0.6970982E+00 (-1/4)Del**2(Rho)) -0.1742746E+00 Diamond 0.1576728E+01 Metallicity 0.4958886E+01 Ellipticity 0.2316186E-01 Gb(Abramov) 0.2602176E+00 Vb(Abramov) -0.3461607E+00 Hb(Abramov) -0.8594309E-01 Ex_ueg -0.6740679E-01 Ec_ueg -0.9478742E-02 Delta_ex -0.7660030E-01 Delta_ec 0.1693824E-01 Delta_et -0.2276805E+00 Pxc 0.7111365E+01 Qxc -0.4522329E+01 3,-1 127 3 -1 0.054696 2.888635 -0.100845 Rho 0.5773652E-02 |GRAD(Rho)| 0.9121727E-17 GRAD(Rho)x 0.5007696E-17 GRAD(Rho)y -0.1936581E-18 GRAD(Rho)z -0.7621770E-17 Laplacian 0.2324846E-01 (-1/4)Del**2(Rho)) -0.5812115E-02 Diamond 0.7378207E-03 Metallicity 0.5507696E+00 Ellipticity 0.4005030E+01 Gb(Abramov) 0.4408266E-02 Vb(Abramov) -0.3004417E-02 Hb(Abramov) 0.1403849E-02 Ex_ueg -0.7649843E-03 Ec_ueg -0.1803566E-03 Delta_ex -0.1250045E-02 Delta_ec 0.8414563E-03 Delta_et -0.4727872E-02 Pxc 0.4241509E+01 Qxc -0.1485573E+01 3,-1 128 3 +1 0.135782 2.880819 -0.177622 Rho 0.5768422E-02 |GRAD(Rho)| 0.2585347E-16 GRAD(Rho)x 0.2539692E-16 GRAD(Rho)y -0.1104637E-17 GRAD(Rho)z 0.4709357E-17 Laplacian 0.2363221E-01 (-1/4)Del**2(Rho)) -0.5908054E-02 Diamond 0.6706508E-03 Metallicity 0.5410081E+00 Ellipticity -0.4679196E+01 Gb(Abramov) 0.4471420E-02 Vb(Abramov) -0.3034786E-02 Hb(Abramov) 0.1436634E-02 Ex_ueg -0.7640605E-03 Ec_ueg -0.1801296E-03 Delta_ex -0.1210271E-02 Delta_ec 0.7478776E-03 Delta_et -0.4238032E-02 Pxc 0.4241728E+01 Qxc -0.1618274E+01 3,+1 129 3 +1 0.406816 -1.752924 -0.704614 Rho 0.6899715E-02 |GRAD(Rho)| 0.3707417E-16 GRAD(Rho)x 0.4985586E-17 GRAD(Rho)y 0.2090283E-16 GRAD(Rho)z 0.3021109E-16 Laplacian 0.2642010E-01 (-1/4)Del**2(Rho)) -0.6605025E-02 Diamond 0.6894152E-03 Metallicity 0.6522249E+00 Ellipticity -0.1814839E+01 Gb(Abramov) 0.5121343E-02 Vb(Abramov) -0.3637662E-02 Hb(Abramov) 0.1483681E-02 Ex_ueg -0.9701226E-03 Ec_ueg -0.2295596E-03 Delta_ex -0.1242188E-02 Delta_ec 0.5503687E-03 Delta_et -0.3399610E-02 Pxc 0.4226017E+01 Qxc -0.2257011E+01 3,+1 130 3 +1 0.131009 -0.150769 2.947208 Rho 0.5469685E-02 |GRAD(Rho)| 0.2280779E-16 GRAD(Rho)x 0.1888798E-16 GRAD(Rho)y -0.1273824E-16 GRAD(Rho)z 0.1084690E-17 Laplacian 0.2245929E-01 (-1/4)Del**2(Rho)) -0.5614823E-02 Diamond 0.5586548E-03 Metallicity 0.5209799E+00 Ellipticity -0.2521831E+01 Gb(Abramov) 0.4230750E-02 Vb(Abramov) -0.2846677E-02 Hb(Abramov) 0.1384073E-02 Ex_ueg -0.7117620E-03 Ec_ueg -0.1671809E-03 Delta_ex -0.1109685E-02 Delta_ec 0.6597113E-03 Delta_et -0.3699611E-02 Pxc 0.4257436E+01 Qxc -0.1682077E+01 3,+1 131 3 -1 -0.071301 0.050630 2.927964 Rho 0.5528788E-02 |GRAD(Rho)| 0.6071808E-17 GRAD(Rho)x -0.5547370E-17 GRAD(Rho)y -0.2258732E-17 GRAD(Rho)z 0.9958222E-18 Laplacian 0.2228778E-01 (-1/4)Del**2(Rho)) -0.5571944E-02 Diamond 0.6800272E-03 Metallicity 0.5344778E+00 Ellipticity 0.3679463E+01 Gb(Abramov) 0.4210976E-02 Vb(Abramov) -0.2850008E-02 Hb(Abramov) 0.1360968E-02 Ex_ueg -0.7220351E-03 Ec_ueg -0.1697392E-03 Delta_ex -0.1199054E-02 Delta_ec 0.8251252E-03 Delta_et -0.4569095E-02 Pxc 0.4253791E+01 Qxc -0.1453179E+01 3,-1 132 3 -1 0.016292 -3.273562 -1.215239 Rho 0.2623327E-01 |GRAD(Rho)| 0.1924880E-15 GRAD(Rho)x -0.1565801E-15 GRAD(Rho)y -0.1073466E-15 GRAD(Rho)z 0.3179670E-16 Laplacian 0.8644420E-01 (-1/4)Del**2(Rho)) -0.2161105E-01 Diamond 0.2863198E-01 Metallicity 0.1846282E+01 Ellipticity 0.7509359E-02 Gb(Abramov) 0.2105738E-01 Vb(Abramov) -0.2050371E-01 Hb(Abramov) 0.5536680E-03 Ex_ueg -0.5756895E-02 Ec_ueg -0.1151006E-02 Delta_ex -0.7131814E-02 Delta_ec 0.4476650E-02 Delta_et -0.3938956E-01 Pxc 0.5001621E+01 Qxc -0.1593114E+01 3,-1 133 3 -1 -0.054875 -3.243982 3.153970 Rho 0.2469411E+00 |GRAD(Rho)| 0.3418774E-15 GRAD(Rho)x 0.1982193E-15 GRAD(Rho)y 0.2556549E-15 GRAD(Rho)z 0.1105886E-15 Laplacian 0.9086597E+00 (-1/4)Del**2(Rho)) -0.2271649E+00 Diamond 0.3309277E+01 Metallicity 0.7371131E+01 Ellipticity 0.3289090E-02 Gb(Abramov) 0.4305203E+00 Vb(Abramov) -0.6338758E+00 Hb(Abramov) -0.2033554E+00 Ex_ueg -0.1144220E+00 Ec_ueg -0.1492025E-01 Delta_ex -0.1105214E+00 Delta_ec 0.1975102E-01 Delta_et -0.2731258E+00 Pxc 0.7668906E+01 Qxc -0.5595731E+01 3,-1 134 3 +1 0.497635 1.665009 0.504665 Rho 0.8581606E-02 |GRAD(Rho)| 0.8938732E-17 GRAD(Rho)x -0.6345432E-17 GRAD(Rho)y -0.6239086E-17 GRAD(Rho)z 0.8427515E-18 Laplacian 0.3379559E-01 (-1/4)Del**2(Rho)) -0.8448897E-02 Diamond 0.8806638E-03 Metallicity 0.7334448E+00 Ellipticity -0.1409460E+01 Gb(Abramov) 0.6665398E-02 Vb(Abramov) -0.4881899E-02 Hb(Abramov) 0.1783499E-02 Ex_ueg -0.1297607E-02 Ec_ueg -0.3041572E-03 Delta_ex -0.1533537E-02 Delta_ec 0.4585244E-03 Delta_et -0.3146118E-02 Pxc 0.4266238E+01 Qxc -0.3344504E+01 3,+1 135 3 +3 1.093083 1.077510 1.080701 Rho 0.4926062E-02 |GRAD(Rho)| 0.5307482E-16 GRAD(Rho)x -0.3327439E-16 GRAD(Rho)y 0.2867786E-16 GRAD(Rho)z -0.2978812E-16 Laplacian 0.1939380E-01 (-1/4)Del**2(Rho)) -0.4848451E-02 Diamond 0.1367573E-03 Metallicity 0.5067377E+00 Ellipticity -0.1691260E+00 Gb(Abramov) 0.3641783E-02 Vb(Abramov) -0.2435115E-02 Hb(Abramov) 0.1206668E-02 Ex_ueg -0.6190392E-03 Ec_ueg -0.1437323E-03 Delta_ex -0.6711233E-03 Delta_ec 0.9229663E-04 Delta_et -0.7089382E-03 Pxc 0.4306890E+01 Qxc -0.7271374E+01 3,+3 136 3 -1 0.523832 -1.765677 1.684929 Rho 0.4997886E-01 |GRAD(Rho)| 0.6032217E-16 GRAD(Rho)x -0.5822632E-16 GRAD(Rho)y -0.9897580E-18 GRAD(Rho)z -0.1573152E-16 Laplacian 0.2020741E+00 (-1/4)Del**2(Rho)) -0.5051853E-01 Diamond 0.1014268E+00 Metallicity 0.2312489E+01 Ellipticity 0.1267692E-01 Gb(Abramov) 0.5314961E-01 Vb(Abramov) -0.5578069E-01 Hb(Abramov) -0.2631079E-02 Ex_ueg -0.1359670E-01 Ec_ueg -0.2413705E-02 Delta_ex -0.1659043E-01 Delta_ec 0.5947790E-02 Delta_et -0.6269052E-01 Pxc 0.5633123E+01 Qxc -0.2789344E+01 3,-1 137 3 +1 2.161302 -1.458771 0.999642 Rho 0.2503052E-01 |GRAD(Rho)| 0.8826621E-16 GRAD(Rho)x -0.7405684E-16 GRAD(Rho)y 0.4511643E-16 GRAD(Rho)z -0.1646261E-16 Laplacian 0.9637498E-01 (-1/4)Del**2(Rho)) -0.2409375E-01 Diamond 0.1093303E-01 Metallicity 0.1531436E+01 Ellipticity -0.2300206E+01 Gb(Abramov) 0.2221217E-01 Vb(Abramov) -0.2033059E-01 Hb(Abramov) 0.1881578E-02 Ex_ueg -0.5407688E-02 Ec_ueg -0.1090251E-02 Delta_ex -0.5812392E-02 Delta_ec 0.1307675E-02 Delta_et -0.1162226E-01 Pxc 0.4960039E+01 Qxc -0.4444831E+01 3,+1 138 3 -1 0.865978 2.962181 -1.970014 Rho 0.1503015E+00 |GRAD(Rho)| 0.1607443E-15 GRAD(Rho)x -0.8136937E-16 GRAD(Rho)y -0.3640209E-16 GRAD(Rho)z 0.1337634E-15 Laplacian 0.5908316E+00 (-1/4)Del**2(Rho)) -0.1477079E+00 Diamond 0.1204080E+01 Metallicity 0.4955511E+01 Ellipticity 0.4959468E-01 Gb(Abramov) 0.2204666E+00 Vb(Abramov) -0.2932253E+00 Hb(Abramov) -0.7275871E-01 Ex_ueg -0.5902050E-01 Ec_ueg -0.8462818E-02 Delta_ex -0.6351950E-01 Delta_ec 0.1505189E-01 Delta_et -0.2005851E+00 Pxc 0.6974095E+01 Qxc -0.4220034E+01 3,-1 139 3 -1 0.553340 2.786015 1.766056 Rho 0.1453542E+00 |GRAD(Rho)| 0.9330850E-15 GRAD(Rho)x -0.3480560E-15 GRAD(Rho)y -0.1249001E-15 GRAD(Rho)z 0.8566823E-15 Laplacian 0.6102564E+00 (-1/4)Del**2(Rho)) -0.1525641E+00 Diamond 0.1193261E+01 Metallicity 0.4537466E+01 Ellipticity 0.8783313E-02 Gb(Abramov) 0.2170851E+00 Vb(Abramov) -0.2816062E+00 Hb(Abramov) -0.6452104E-01 Ex_ueg -0.5644452E-01 Ec_ueg -0.8146782E-02 Delta_ex -0.6505728E-01 Delta_ec 0.1564976E-01 Delta_et -0.2075015E+00 Pxc 0.6928444E+01 Qxc -0.4157078E+01 3,-1 140 3 -1 0.077150 3.209468 3.163209 Rho 0.2469656E+00 |GRAD(Rho)| 0.1575131E-15 GRAD(Rho)x -0.4713569E-16 GRAD(Rho)y -0.1286948E-15 GRAD(Rho)z 0.7762888E-16 Laplacian 0.9082051E+00 (-1/4)Del**2(Rho)) -0.2270513E+00 Diamond 0.3307495E+01 Metallicity 0.7376043E+01 Ellipticity 0.2694610E-02 Gb(Abramov) 0.4304908E+00 Vb(Abramov) -0.6339304E+00 Hb(Abramov) -0.2034396E+00 Ex_ueg -0.1144372E+00 Ec_ueg -0.1492196E-01 Delta_ex -0.1104663E+00 Delta_ec 0.1973577E-01 Delta_et -0.2728934E+00 Pxc 0.7669046E+01 Qxc -0.5597264E+01 3,-1 141 3 -1 -0.062008 3.158660 -3.160396 Rho 0.2475337E+00 |GRAD(Rho)| 0.5688515E-15 GRAD(Rho)x -0.1710329E-16 GRAD(Rho)y 0.4800847E-15 GRAD(Rho)z -0.3046608E-15 Laplacian 0.9139910E+00 (-1/4)Del**2(Rho)) -0.2284977E+00 Diamond 0.3334050E+01 Metallicity 0.7357468E+01 Ellipticity 0.4895879E-02 Gb(Abramov) 0.4325260E+00 Vb(Abramov) -0.6365542E+00 Hb(Abramov) -0.2040282E+00 Ex_ueg -0.1147882E+00 Ec_ueg -0.1496145E-01 Delta_ex -0.1112180E+00 Delta_ec 0.1981365E-01 Delta_et -0.2738266E+00 Pxc 0.7672269E+01 Qxc -0.5613202E+01 3,-1 142 3 -1 0.520815 1.696998 -1.697930 Rho 0.5288712E-01 |GRAD(Rho)| 0.8611472E-16 GRAD(Rho)x 0.4788913E-16 GRAD(Rho)y -0.4020865E-16 GRAD(Rho)z 0.5920845E-16 Laplacian 0.2125918E+00 (-1/4)Del**2(Rho)) -0.5314795E-01 Diamond 0.1152827E+00 Metallicity 0.2415368E+01 Ellipticity 0.1154531E-01 Gb(Abramov) 0.5682727E-01 Vb(Abramov) -0.6050659E-01 Hb(Abramov) -0.3679322E-02 Ex_ueg -0.1466172E-01 Ec_ueg -0.2575074E-02 Delta_ex -0.1770728E-01 Delta_ec 0.6258003E-02 Delta_et -0.6693471E-01 Pxc 0.5693709E+01 Qxc -0.2829542E+01 3,-1 143 3 -1 0.417386 -0.506143 0.438348 Rho 0.1816515E+00 |GRAD(Rho)| 0.3085173E-13 GRAD(Rho)x -0.1794745E-13 GRAD(Rho)y 0.1751030E-13 GRAD(Rho)z -0.1797520E-13 Laplacian 0.4857360E+00 (-1/4)Del**2(Rho)) -0.1214340E+00 Diamond 0.1265368E+01 Metallicity 0.8265664E+01 Ellipticity 0.1063801E-02 Gb(Abramov) 0.2482448E+00 Vb(Abramov) -0.3750556E+00 Hb(Abramov) -0.1268108E+00 Ex_ueg -0.7598076E-01 Ec_ueg -0.1049960E-01 Delta_ex -0.5491440E-01 Delta_ec 0.1210076E-01 Delta_et -0.1659880E+00 Pxc 0.7236538E+01 Qxc -0.4538094E+01 3,-1 144 3 -1 0.425488 0.436488 -0.487002 Rho 0.1809516E+00 |GRAD(Rho)| 0.5626448E-14 GRAD(Rho)x 0.3445161E-14 GRAD(Rho)y 0.3094747E-14 GRAD(Rho)z -0.3195361E-14 Laplacian 0.4846273E+00 (-1/4)Del**2(Rho)) -0.1211568E+00 Diamond 0.1255447E+01 Metallicity 0.8231444E+01 Ellipticity 0.4318844E-02 Gb(Abramov) 0.2469871E+00 Vb(Abramov) -0.3728175E+00 Hb(Abramov) -0.1258303E+00 Ex_ueg -0.7559069E-01 Ec_ueg -0.1045350E-01 Delta_ex -0.5472684E-01 Delta_ec 0.1206873E-01 Delta_et -0.1654282E+00 Pxc 0.7231134E+01 Qxc -0.4534598E+01 3,-1 145 3 -1 0.878716 -3.025307 1.979778 Rho 0.1666419E+00 |GRAD(Rho)| 0.2098215E-15 GRAD(Rho)x -0.2032879E-16 GRAD(Rho)y 0.1549596E-15 GRAD(Rho)z 0.1399976E-15 Laplacian 0.6520988E+00 (-1/4)Del**2(Rho)) -0.1630247E+00 Diamond 0.1498238E+01 Metallicity 0.5332615E+01 Ellipticity 0.6490485E-01 Gb(Abramov) 0.2535745E+00 Vb(Abramov) -0.3441242E+00 Hb(Abramov) -0.9054976E-01 Ex_ueg -0.6772736E-01 Ec_ueg -0.9517214E-02 Delta_ex -0.7186631E-01 Delta_ec 0.1609266E-01 Delta_et -0.2171194E+00 Pxc 0.7116301E+01 Qxc -0.4465781E+01 3,-1 146 3 -1 0.551567 1.806761 2.755002 Rho 0.1606230E+00 |GRAD(Rho)| 0.3972944E-15 GRAD(Rho)x 0.2989959E-15 GRAD(Rho)y 0.2045889E-15 GRAD(Rho)z 0.1630572E-15 Laplacian 0.6742499E+00 (-1/4)Del**2(Rho)) -0.1685625E+00 Diamond 0.1475570E+01 Metallicity 0.4850709E+01 Ellipticity 0.1702391E-01 Gb(Abramov) 0.2486496E+00 Vb(Abramov) -0.3287367E+00 Hb(Abramov) -0.8008710E-01 Ex_ueg -0.6448550E-01 Ec_ueg -0.9126972E-02 Delta_ex -0.7357071E-01 Delta_ec 0.1668894E-01 Delta_et -0.2238720E+00 Pxc 0.7065378E+01 Qxc -0.4408351E+01 3,-1 147 3 -1 0.860030 1.949422 -2.960735 Rho 0.1215191E+00 |GRAD(Rho)| 0.1415670E-15 GRAD(Rho)x -0.8131516E-18 GRAD(Rho)y 0.1057910E-15 GRAD(Rho)z 0.9406809E-16 Laplacian 0.4769852E+00 (-1/4)Del**2(Rho)) -0.1192463E+00 Diamond 0.7538442E+00 Metallicity 0.4307077E+01 Ellipticity 0.2227564E-01 Gb(Abramov) 0.1650980E+00 Vb(Abramov) -0.2109497E+00 Hb(Abramov) -0.4585172E-01 Ex_ueg -0.4445403E-01 Ec_ueg -0.6646119E-02 Delta_ex -0.4871886E-01 Delta_ec 0.1281061E-01 Delta_et -0.1651466E+00 Pxc 0.6688720E+01 Qxc -0.3803007E+01 3,-1 148 3 +1 1.434267 -2.194316 0.982659 Rho 0.2655971E-01 |GRAD(Rho)| 0.4402753E-13 GRAD(Rho)x 0.2534522E-13 GRAD(Rho)y -0.3472453E-13 GRAD(Rho)z -0.9500029E-14 Laplacian 0.1040480E+00 (-1/4)Del**2(Rho)) -0.2601200E-01 Diamond 0.1288685E-01 Metallicity 0.1565855E+01 Ellipticity -0.2364714E+01 Gb(Abramov) 0.2412983E-01 Vb(Abramov) -0.2224767E-01 Hb(Abramov) 0.1882163E-02 Ex_ueg -0.5852607E-02 Ec_ueg -0.1167559E-02 Delta_ex -0.6386119E-02 Delta_ec 0.1425024E-02 Delta_et -0.1282956E-01 Pxc 0.5012686E+01 Qxc -0.4481411E+01 3,+1 149 3 -1 1.709241 -1.762098 0.454758 Rho 0.4043121E-01 |GRAD(Rho)| 0.1356184E-15 GRAD(Rho)x 0.9382732E-16 GRAD(Rho)y -0.7919440E-16 GRAD(Rho)z -0.5759369E-16 Laplacian 0.1654193E+00 (-1/4)Del**2(Rho)) -0.4135483E-01 Diamond 0.6453517E-01 Metallicity 0.1984060E+01 Ellipticity 0.7485576E-02 Gb(Abramov) 0.4124496E-01 Vb(Abramov) -0.4113510E-01 Hb(Abramov) 0.1098637E-03 Ex_ueg -0.1024882E-01 Ec_ueg -0.1893209E-02 Delta_ex -0.1301032E-01 Delta_ec 0.5111271E-02 Delta_et -0.5096553E-01 Pxc 0.5413466E+01 Qxc -0.2545418E+01 3,-1 150 3 +1 1.699389 -0.537072 -0.541362 Rho 0.7855161E-02 |GRAD(Rho)| 0.5307453E-13 GRAD(Rho)x 0.1913075E-13 GRAD(Rho)y -0.4788858E-13 GRAD(Rho)z 0.1255405E-13 Laplacian 0.3062636E-01 (-1/4)Del**2(Rho)) -0.7656591E-02 Diamond 0.7269250E-03 Metallicity 0.6984085E+00 Ellipticity -0.1413247E+01 Gb(Abramov) 0.5995632E-02 Vb(Abramov) -0.4334673E-02 Hb(Abramov) 0.1660959E-02 Ex_ueg -0.1153254E-02 Ec_ueg -0.2717782E-03 Delta_ex -0.1368792E-02 Delta_ec 0.4331968E-03 Delta_et -0.2890646E-02 Pxc 0.4243367E+01 Qxc -0.3159746E+01 3,+1 151 3 -1 1.760630 0.525738 -1.758775 Rho 0.3742048E-01 |GRAD(Rho)| 0.1877878E-16 GRAD(Rho)x -0.5732084E-17 GRAD(Rho)y 0.1593348E-16 GRAD(Rho)z -0.8118493E-17 Laplacian 0.1552077E+00 (-1/4)Del**2(Rho)) -0.3880193E-01 Diamond 0.5367298E-01 Metallicity 0.1858727E+01 Ellipticity 0.3071110E-01 Gb(Abramov) 0.3788832E-01 Vb(Abramov) -0.3697470E-01 Hb(Abramov) 0.9136138E-03 Ex_ueg -0.9244092E-02 Ec_ueg -0.1732345E-02 Delta_ex -0.1192477E-01 Delta_ec 0.4703571E-02 Delta_et -0.4591435E-01 Pxc 0.5336173E+01 Qxc -0.2535259E+01 3,-1 152 3 +1 1.424925 1.007667 -2.153885 Rho 0.2739643E-01 |GRAD(Rho)| 0.9883380E-16 GRAD(Rho)x -0.1224100E-16 GRAD(Rho)y 0.9454016E-16 GRAD(Rho)z 0.2608518E-16 Laplacian 0.1099804E+00 (-1/4)Del**2(Rho)) -0.2749511E-01 Diamond 0.1590111E-01 Metallicity 0.1559988E+01 Ellipticity -0.3318939E+01 Gb(Abramov) 0.2547874E-01 Vb(Abramov) -0.2346238E-01 Hb(Abramov) 0.2016364E-02 Ex_ueg -0.6099728E-02 Ec_ueg -0.1210112E-02 Delta_ex -0.6970037E-02 Delta_ec 0.1794953E-02 Delta_et -0.1621209E-01 Pxc 0.5040632E+01 Qxc -0.3883130E+01 3,+1 153 3 -1 2.000386 -3.002536 0.805748 Rho 0.1044238E+00 |GRAD(Rho)| 0.9972918E-16 GRAD(Rho)x -0.6956851E-16 GRAD(Rho)y 0.2884317E-16 GRAD(Rho)z 0.6537739E-16 Laplacian 0.4029064E+00 (-1/4)Del**2(Rho)) -0.1007266E+00 Diamond 0.5288880E+00 Metallicity 0.3960421E+01 Ellipticity 0.1839131E-01 Gb(Abramov) 0.1336377E+00 Vb(Abramov) -0.1665488E+00 Hb(Abramov) -0.3291109E-01 Ex_ueg -0.3631764E-01 Ec_ueg -0.5593800E-02 Delta_ex -0.3967829E-01 Delta_ec 0.1115445E-01 Delta_et -0.1397758E+00 Pxc 0.6492482E+01 Qxc -0.3557173E+01 3,-1 154 3 -1 1.839683 -2.836660 -0.622103 Rho 0.1976264E+00 |GRAD(Rho)| 0.2564752E-13 GRAD(Rho)x 0.1714075E-13 GRAD(Rho)y 0.1896447E-13 GRAD(Rho)z -0.2082969E-14 Laplacian 0.7551659E+00 (-1/4)Del**2(Rho)) -0.1887915E+00 Diamond 0.2101394E+01 Metallicity 0.6118509E+01 Ellipticity 0.3430454E-02 Gb(Abramov) 0.3183814E+00 Vb(Abramov) -0.4479713E+00 Hb(Abramov) -0.1295899E+00 Ex_ueg -0.8501814E-01 Ec_ueg -0.1155933E-01 Delta_ex -0.8668605E-01 Delta_ec 0.1746968E-01 Delta_et -0.2386999E+00 Pxc 0.7354937E+01 Qxc -0.4962085E+01 3,-1 155 3 -1 1.725582 1.697262 -0.520923 Rho 0.4495640E-01 |GRAD(Rho)| 0.4663280E-14 GRAD(Rho)x 0.2973092E-14 GRAD(Rho)y -0.1687943E-14 GRAD(Rho)z -0.3171395E-14 Laplacian 0.1790059E+00 (-1/4)Del**2(Rho)) -0.4475148E-01 Diamond 0.7736575E-01 Metallicity 0.2188089E+01 Ellipticity 0.1257770E-01 Gb(Abramov) 0.4615436E-01 Vb(Abramov) -0.4755723E-01 Hb(Abramov) -0.1402877E-02 Ex_ueg -0.1180612E-01 Ec_ueg -0.2138040E-02 Delta_ex -0.1428885E-01 Delta_ec 0.5234603E-02 Delta_et -0.5365371E-01 Pxc 0.5521936E+01 Qxc -0.2729692E+01 3,-1 156 3 +1 1.349546 2.138876 -1.102499 Rho 0.2877623E-01 |GRAD(Rho)| 0.7664375E-14 GRAD(Rho)x 0.5529272E-14 GRAD(Rho)y 0.4101959E-14 GRAD(Rho)z 0.3368044E-14 Laplacian 0.1139458E+00 (-1/4)Del**2(Rho)) -0.2848645E-01 Diamond 0.1776820E-01 Metallicity 0.1634198E+01 Ellipticity -0.3951550E+01 Gb(Abramov) 0.2674972E-01 Vb(Abramov) -0.2501298E-01 Hb(Abramov) 0.1736734E-02 Ex_ueg -0.6512737E-02 Ec_ueg -0.1280658E-02 Delta_ex -0.7330495E-02 Delta_ec 0.1881976E-02 Delta_et -0.1719352E-01 Pxc 0.5085462E+01 Qxc -0.3895105E+01 3,+1 157 3 +1 2.960464 0.150885 -0.103792 Rho 0.5226239E-02 |GRAD(Rho)| 0.2884246E-13 GRAD(Rho)x -0.4068656E-14 GRAD(Rho)y 0.2839749E-13 GRAD(Rho)z 0.2986028E-14 Laplacian 0.2143372E-01 (-1/4)Del**2(Rho)) -0.5358431E-02 Diamond 0.5467562E-03 Metallicity 0.5060161E+00 Ellipticity -0.3977424E+01 Gb(Abramov) 0.4024196E-02 Vb(Abramov) -0.2689961E-02 Hb(Abramov) 0.1334235E-02 Ex_ueg -0.6698395E-03 Ec_ueg -0.1566617E-03 Delta_ex -0.1089081E-02 Delta_ec 0.7003727E-03 Delta_et -0.3844243E-02 Pxc 0.4275706E+01 Qxc -0.1555002E+01 3,+1 158 3 -1 1.222752 -2.322582 -1.977750 Rho 0.4976200E-01 |GRAD(Rho)| 0.2618569E-13 GRAD(Rho)x 0.1417832E-13 GRAD(Rho)y 0.2625632E-14 GRAD(Rho)z -0.2185798E-13 Laplacian 0.1296540E+00 (-1/4)Del**2(Rho)) -0.3241350E-01 Diamond 0.1038212E+00 Metallicity 0.3578138E+01 Ellipticity 0.1169821E-01 Gb(Abramov) 0.4093899E-01 Vb(Abramov) -0.4946448E-01 Hb(Abramov) -0.8525494E-02 Ex_ueg -0.1351810E-01 Ec_ueg -0.2401723E-02 Delta_ex -0.1233018E-01 Delta_ec 0.6846476E-02 Delta_et -0.7294150E-01 Pxc 0.5628500E+01 Qxc -0.1800953E+01 3,-1 159 3 +1 1.933480 -1.787543 -1.722848 Rho 0.1451523E-01 |GRAD(Rho)| 0.4785305E-15 GRAD(Rho)x -0.3598028E-15 GRAD(Rho)y -0.1430980E-15 GRAD(Rho)z -0.2811696E-15 Laplacian 0.6862873E-01 (-1/4)Del**2(Rho)) -0.1715718E-01 Diamond 0.3683916E-02 Metallicity 0.8672557E+00 Ellipticity -0.1425492E+01 Gb(Abramov) 0.1391807E-01 Vb(Abramov) -0.1067895E-01 Hb(Abramov) 0.3239117E-02 Ex_ueg -0.2615072E-02 Ec_ueg -0.5768912E-03 Delta_ex -0.3573603E-02 Delta_ec 0.9358800E-03 Delta_et -0.7317831E-02 Pxc 0.4533043E+01 Qxc -0.3818441E+01 3,+1 160 3 -1 2.763482 0.543201 1.836089 Rho 0.1301622E+00 |GRAD(Rho)| 0.3882037E-15 GRAD(Rho)x 0.6166400E-17 GRAD(Rho)y 0.2199440E-15 GRAD(Rho)z -0.3198261E-15 Laplacian 0.5472299E+00 (-1/4)Del**2(Rho)) -0.1368075E+00 Diamond 0.9420976E+00 Metallicity 0.4209704E+01 Ellipticity 0.1353740E-01 Gb(Abramov) 0.1871915E+00 Vb(Abramov) -0.2375755E+00 Hb(Abramov) -0.5038400E-01 Ex_ueg -0.4871899E-01 Ec_ueg -0.7185979E-02 Delta_ex -0.5685515E-01 Delta_ec 0.1452057E-01 Delta_et -0.1894814E+00 Pxc 0.6779729E+01 Qxc -0.3915492E+01 3,-1 161 3 -1 1.945209 -0.869526 3.013199 Rho 0.1481555E+00 |GRAD(Rho)| 0.1261353E-15 GRAD(Rho)x -0.7006657E-17 GRAD(Rho)y -0.1258081E-15 GRAD(Rho)z 0.5773377E-17 Laplacian 0.5804445E+00 (-1/4)Del**2(Rho)) -0.1451111E+00 Diamond 0.1164968E+01 Metallicity 0.4924726E+01 Ellipticity 0.3902695E-01 Gb(Abramov) 0.2158462E+00 Vb(Abramov) -0.2865812E+00 Hb(Abramov) -0.7073504E-01 Ex_ueg -0.5789957E-01 Ec_ueg -0.8325543E-02 Delta_ex -0.6220638E-01 Delta_ec 0.1488183E-01 Delta_et -0.1980111E+00 Pxc 0.6954450E+01 Qxc -0.4180021E+01 3,-1 162 3 -1 1.970765 -0.620280 -2.824272 Rho 0.1468767E+00 |GRAD(Rho)| 0.3137117E-13 GRAD(Rho)x 0.4644939E-14 GRAD(Rho)y -0.3005328E-13 GRAD(Rho)z 0.7705520E-14 Laplacian 0.5551252E+00 (-1/4)Del**2(Rho)) -0.1387813E+00 Diamond 0.1107466E+01 Metallicity 0.5075478E+01 Ellipticity 0.1170422E+00 Gb(Abramov) 0.2099178E+00 Vb(Abramov) -0.2810543E+00 Hb(Abramov) -0.7113648E-01 Ex_ueg -0.5723419E-01 Ec_ueg -0.8243877E-02 Delta_ex -0.5941648E-01 Delta_ec 0.1435193E-01 Delta_et -0.1909197E+00 Pxc 0.6942630E+01 Qxc -0.4139965E+01 3,-1 163 3 -1 2.005188 2.957000 -0.850462 Rho 0.1311094E+00 |GRAD(Rho)| 0.1203157E-12 GRAD(Rho)x 0.4836910E-13 GRAD(Rho)y 0.1772542E-13 GRAD(Rho)z -0.1087296E-12 Laplacian 0.5162859E+00 (-1/4)Del**2(Rho)) -0.1290715E+00 Diamond 0.8946626E+00 Metallicity 0.4516266E+01 Ellipticity 0.2524627E-01 Gb(Abramov) 0.1832012E+00 Vb(Abramov) -0.2373309E+00 Hb(Abramov) -0.5412969E-01 Ex_ueg -0.4919229E-01 Ec_ueg -0.7245449E-02 Delta_ex -0.5371076E-01 Delta_ec 0.1363456E-01 Delta_et -0.1780540E+00 Pxc 0.6789405E+01 Qxc -0.3939311E+01 3,-1 164 3 +3 2.314491 -0.009220 0.020885 Rho 0.4338644E-02 |GRAD(Rho)| 0.2159478E-14 GRAD(Rho)x -0.7411689E-15 GRAD(Rho)y 0.2003972E-14 GRAD(Rho)z 0.3132285E-15 Laplacian 0.1768424E-01 (-1/4)Del**2(Rho)) -0.4421060E-02 Diamond 0.1398667E-03 Metallicity 0.4497282E+00 Ellipticity -0.2865278E+00 Gb(Abramov) 0.3278753E-02 Vb(Abramov) -0.2136445E-02 Hb(Abramov) 0.1142307E-02 Ex_ueg -0.5226253E-03 Ec_ueg -0.1185639E-03 Delta_ex -0.6303012E-03 Delta_ec 0.1543330E-03 Delta_et -0.9680329E-03 Pxc 0.4407962E+01 Qxc -0.4084033E+01 3,+3 165 3 -1 1.782716 0.537114 2.772475 Rho 0.1171146E+00 |GRAD(Rho)| 0.3209703E-15 GRAD(Rho)x 0.2500712E-15 GRAD(Rho)y -0.1832302E-15 GRAD(Rho)z -0.8314475E-16 Laplacian 0.4942376E+00 (-1/4)Del**2(Rho)) -0.1235594E+00 Diamond 0.7465567E+00 Metallicity 0.3908672E+01 Ellipticity 0.1735986E-01 Gb(Abramov) 0.1628651E+00 Vb(Abramov) -0.2021709E+00 Hb(Abramov) -0.3930573E-01 Ex_ueg -0.4231879E-01 Ec_ueg -0.6372982E-02 Delta_ex -0.5003068E-01 Delta_ec 0.1337271E-01 Delta_et -0.1712502E+00 Pxc 0.6640344E+01 Qxc -0.3741253E+01 3,-1 166 3 -1 2.038123 0.828897 -3.009512 Rho 0.1455532E+00 |GRAD(Rho)| 0.2613955E-15 GRAD(Rho)x 0.6341227E-16 GRAD(Rho)y -0.9863529E-16 GRAD(Rho)z 0.2336185E-15 Laplacian 0.5708772E+00 (-1/4)Del**2(Rho)) -0.1427193E+00 Diamond 0.1108249E+01 Metallicity 0.4861534E+01 Ellipticity 0.5881199E-01 Gb(Abramov) 0.2107853E+00 Vb(Abramov) -0.2788513E+00 Hb(Abramov) -0.6806601E-01 Ex_ueg -0.5654757E-01 Ec_ueg -0.8159464E-02 Delta_ex -0.6077746E-01 Delta_ec 0.1445265E-01 Delta_et -0.1912657E+00 Pxc 0.6930305E+01 Qxc -0.4205280E+01 3,-1 167 3 +1 2.171862 1.037980 -1.395231 Rho 0.2562404E-01 |GRAD(Rho)| 0.2351919E-16 GRAD(Rho)x 0.2258012E-16 GRAD(Rho)y 0.6493038E-17 GRAD(Rho)z 0.1063491E-17 Laplacian 0.1007132E+00 (-1/4)Del**2(Rho)) -0.2517830E-01 Diamond 0.1303128E-01 Metallicity 0.1523840E+01 Ellipticity -0.3008071E+01 Gb(Abramov) 0.2318015E-01 Vb(Abramov) -0.2118200E-01 Hb(Abramov) 0.1998152E-02 Ex_ueg -0.5579326E-02 Ec_ueg -0.1120185E-02 Delta_ex -0.6242631E-02 Delta_ec 0.1597255E-02 Delta_et -0.1420834E-01 Pxc 0.4980721E+01 Qxc -0.3908349E+01 3,+1 168 3 +1 2.957928 -0.155097 0.203129 Rho 0.5185932E-02 |GRAD(Rho)| 0.2069135E-17 GRAD(Rho)x -0.1480702E-17 GRAD(Rho)y -0.1376190E-17 GRAD(Rho)z -0.4415245E-18 Laplacian 0.2129356E-01 (-1/4)Del**2(Rho)) -0.5323390E-02 Diamond 0.5046896E-03 Metallicity 0.5028166E+00 Ellipticity -0.2598903E+01 Gb(Abramov) 0.3995041E-02 Vb(Abramov) -0.2666693E-02 Hb(Abramov) 0.1328348E-02 Ex_ueg -0.6629602E-03 Ec_ueg -0.1549230E-03 Delta_ex -0.1051286E-02 Delta_ec 0.6438926E-03 Delta_et -0.3546136E-02 Pxc 0.4279290E+01 Qxc -0.1632704E+01 3,+1 169 3 -1 2.990796 -0.876364 2.025760 Rho 0.1808060E+00 |GRAD(Rho)| 0.2917696E-15 GRAD(Rho)x 0.4906015E-17 GRAD(Rho)y -0.2894278E-15 GRAD(Rho)z 0.3656472E-16 Laplacian 0.7052870E+00 (-1/4)Del**2(Rho)) -0.1763217E+00 Diamond 0.1783402E+01 Metallicity 0.5648529E+01 Ellipticity 0.5819547E-01 Gb(Abramov) 0.2835409E+00 Vb(Abramov) -0.3907601E+00 Hb(Abramov) -0.1072192E+00 Ex_ueg -0.7550960E-01 Ec_ueg -0.1044392E-01 Delta_ex -0.7930350E-01 Delta_ec 0.1698651E-01 Delta_et -0.2311217E+00 Pxc 0.7230007E+01 Qxc -0.4668615E+01 3,-1 170 3 -1 2.856980 -0.541146 -1.822249 Rho 0.1182340E+00 |GRAD(Rho)| 0.1386884E-15 GRAD(Rho)x 0.3409138E-16 GRAD(Rho)y 0.1082779E-15 GRAD(Rho)z -0.7967531E-16 Laplacian 0.4772722E+00 (-1/4)Del**2(Rho)) -0.1193181E+00 Diamond 0.7201863E+00 Metallicity 0.4112294E+01 Ellipticity 0.1583844E-01 Gb(Abramov) 0.1613238E+00 Vb(Abramov) -0.2033296E+00 Hb(Abramov) -0.4200580E-01 Ex_ueg -0.4285894E-01 Ec_ueg -0.6442267E-02 Delta_ex -0.4829895E-01 Delta_ec 0.1266445E-01 Delta_et -0.1621017E+00 Pxc 0.6652773E+01 Qxc -0.3813743E+01 3,-1 171 3 -1 2.960444 0.043146 0.006560 Rho 0.5236671E-02 |GRAD(Rho)| 0.6235868E-16 GRAD(Rho)x 0.3865618E-17 GRAD(Rho)y 0.6223260E-16 GRAD(Rho)z 0.8746949E-18 Laplacian 0.2101704E-01 (-1/4)Del**2(Rho)) -0.5254261E-02 Diamond 0.6059486E-03 Metallicity 0.5177663E+00 Ellipticity 0.3947335E+01 Gb(Abramov) 0.3956254E-02 Vb(Abramov) -0.2658247E-02 Hb(Abramov) 0.1298007E-02 Ex_ueg -0.6716229E-03 Ec_ueg -0.1571119E-03 Delta_ex -0.1128017E-02 Delta_ec 0.7933463E-03 Delta_et -0.4315871E-02 Pxc 0.4274806E+01 Qxc -0.1421847E+01 3,-1 172 3 -1 3.171486 0.021096 3.234805 Rho 0.2473730E+00 |GRAD(Rho)| 0.4028658E-13 GRAD(Rho)x -0.2701745E-13 GRAD(Rho)y -0.8195728E-14 GRAD(Rho)z -0.2873840E-13 Laplacian 0.9003821E+00 (-1/4)Del**2(Rho)) -0.2250955E+00 Diamond 0.3294055E+01 Metallicity 0.7460593E+01 Ellipticity 0.4339204E-02 Gb(Abramov) 0.4299547E+00 Vb(Abramov) -0.6348139E+00 Hb(Abramov) -0.2048592E+00 Ex_ueg -0.1146889E+00 Ec_ueg -0.1495027E-01 Delta_ex -0.1096058E+00 Delta_ec 0.1963396E-01 Delta_et -0.2718560E+00 Pxc 0.7671358E+01 Qxc -0.5582461E+01 3,-1 173 3 -1 3.037100 0.852349 -1.991409 Rho 0.1217954E+00 |GRAD(Rho)| 0.3722579E-15 GRAD(Rho)x 0.1689763E-15 GRAD(Rho)y 0.2393037E-15 GRAD(Rho)z 0.2296882E-15 Laplacian 0.4875522E+00 (-1/4)Del**2(Rho)) -0.1218880E+00 Diamond 0.7635578E+00 Metallicity 0.4229704E+01 Ellipticity 0.2744833E-01 Gb(Abramov) 0.1671838E+00 Vb(Abramov) -0.2124795E+00 Hb(Abramov) -0.4529571E-01 Ex_ueg -0.4458883E-01 Ec_ueg -0.6663296E-02 Delta_ex -0.4970557E-01 Delta_ec 0.1287397E-01 Delta_et -0.1656711E+00 Pxc 0.6691708E+01 Qxc -0.3860936E+01 3,-1 174 3 -1 3.207476 -3.211407 -0.128275 Rho 0.2316333E+00 |GRAD(Rho)| 0.4500864E-10 GRAD(Rho)x 0.3264375E-10 GRAD(Rho)y -0.3055787E-10 GRAD(Rho)z -0.5136119E-11 Laplacian 0.8345850E+00 (-1/4)Del**2(Rho)) -0.2086463E+00 Diamond 0.2838272E+01 Metallicity 0.7213472E+01 Ellipticity 0.9158570E-02 Gb(Abramov) 0.3899415E+00 Vb(Abramov) -0.5712367E+00 Hb(Abramov) -0.1812952E+00 Ex_ueg -0.1050638E+00 Ec_ueg -0.1386267E-01 Delta_ex -0.9996219E-01 Delta_ec 0.1872943E-01 Delta_et -0.2594980E+00 Pxc 0.7578903E+01 Qxc -0.5337174E+01 3,-1 175 3 -1 2.970530 -1.997931 0.816703 Rho 0.8635730E-01 |GRAD(Rho)| 0.5708924E-13 GRAD(Rho)x 0.3926959E-13 GRAD(Rho)y 0.3991452E-13 GRAD(Rho)z -0.1113155E-13 Laplacian 0.3417444E+00 (-1/4)Del**2(Rho)) -0.8543610E-01 Diamond 0.3526526E+00 Metallicity 0.3402072E+01 Ellipticity 0.3143432E-02 Gb(Abramov) 0.1054007E+00 Vb(Abramov) -0.1253653E+00 Hb(Abramov) -0.1996460E-01 Ex_ueg -0.2819143E-01 Ec_ueg -0.4506326E-02 Delta_ex -0.3212651E-01 Delta_ec 0.9710934E-02 Delta_et -0.1169002E+00 Pxc 0.6255968E+01 Qxc -0.3308282E+01 3,-1 176 3 -1 3.016112 1.974392 -0.823667 Rho 0.1523431E+00 |GRAD(Rho)| 0.3738699E-15 GRAD(Rho)x -0.1652324E-15 GRAD(Rho)y -0.1983954E-15 GRAD(Rho)z -0.2704000E-15 Laplacian 0.6019495E+00 (-1/4)Del**2(Rho)) -0.1504874E+00 Diamond 0.1247405E+01 Metallicity 0.4974594E+01 Ellipticity 0.4207476E-01 Gb(Abramov) 0.2250939E+00 Vb(Abramov) -0.2997003E+00 Hb(Abramov) -0.7460648E-01 Ex_ueg -0.6009182E-01 Ec_ueg -0.8593673E-02 Delta_ex -0.6493593E-01 Delta_ec 0.1529473E-01 Delta_et -0.2042287E+00 Pxc 0.6992565E+01 Qxc -0.4245641E+01 3,-1 177 3 -1 3.204894 3.178610 0.090290 Rho 0.2487066E+00 |GRAD(Rho)| 0.8902775E-15 GRAD(Rho)x -0.8051285E-15 GRAD(Rho)y -0.3381627E-15 GRAD(Rho)z 0.1732284E-15 Laplacian 0.9055642E+00 (-1/4)Del**2(Rho)) -0.2263910E+00 Diamond 0.3333065E+01 Metallicity 0.7484674E+01 Ellipticity 0.1635121E-02 Gb(Abramov) 0.4333379E+00 Vb(Abramov) -0.6402847E+00 Hb(Abramov) -0.2069468E+00 Ex_ueg -0.1155141E+00 Ec_ueg -0.1504305E-01 Delta_ex -0.1103848E+00 Delta_ec 0.1970163E-01 Delta_et -0.2727654E+00 Pxc 0.7678898E+01 Qxc -0.5602823E+01 3,-1 178 3 -1 -3.329136 -3.107993 0.104766 Rho 0.2365734E+00 |GRAD(Rho)| 0.5640443E-15 GRAD(Rho)x -0.2815131E-15 GRAD(Rho)y 0.4585633E-15 GRAD(Rho)z 0.1691626E-15 Laplacian 0.8600842E+00 (-1/4)Del**2(Rho)) -0.2150211E+00 Diamond 0.2993368E+01 Metallicity 0.7250178E+01 Ellipticity 0.1708236E-02 Gb(Abramov) 0.4031709E+00 Vb(Abramov) -0.5913207E+00 Hb(Abramov) -0.1881498E+00 Ex_ueg -0.1080620E+00 Ec_ueg -0.1420256E-01 Delta_ex -0.1035464E+00 Delta_ec 0.1911664E-01 Delta_et -0.2648169E+00 Pxc 0.7608625E+01 Qxc -0.5416559E+01 3,-1 179 3 -1 -2.810727 1.774703 -0.508519 Rho 0.1290417E+00 |GRAD(Rho)| 0.4692613E-13 GRAD(Rho)x -0.3662400E-13 GRAD(Rho)y -0.2572664E-13 GRAD(Rho)z 0.1410262E-13 Laplacian 0.5415766E+00 (-1/4)Del**2(Rho)) -0.1353942E+00 Diamond 0.9047613E+00 Metallicity 0.4192791E+01 Ellipticity 0.1481300E-01 Gb(Abramov) 0.1848760E+00 Vb(Abramov) -0.2343579E+00 Hb(Abramov) -0.4948186E-01 Ex_ueg -0.4816058E-01 Ec_ueg -0.7115705E-02 Delta_ex -0.5593220E-01 Delta_ec 0.1400954E-01 Delta_et -0.1818402E+00 Pxc 0.6768209E+01 Qxc -0.3992436E+01 3,-1 180 3 -1 -0.865390 2.021760 2.983058 Rho 0.1359476E+00 |GRAD(Rho)| 0.3973848E-15 GRAD(Rho)x -0.2322361E-15 GRAD(Rho)y -0.2693158E-15 GRAD(Rho)z 0.1773416E-15 Laplacian 0.5341545E+00 (-1/4)Del**2(Rho)) -0.1335386E+00 Diamond 0.9686102E+00 Metallicity 0.4636947E+01 Ellipticity 0.3359409E-01 Gb(Abramov) 0.1922277E+00 Vb(Abramov) -0.2509167E+00 Hb(Abramov) -0.5868905E-01 Ex_ueg -0.5162742E-01 Ec_ueg -0.7550120E-02 Delta_ex -0.5607868E-01 Delta_ec 0.1402080E-01 Delta_et -0.1842331E+00 Pxc 0.6837960E+01 Qxc -0.3999678E+01 3,-1 181 3 -1 -0.853304 -3.428888 -1.271913 Rho 0.3225807E+00 |GRAD(Rho)| 0.5192072E-15 GRAD(Rho)x -0.3535715E-15 GRAD(Rho)y 0.3302673E-15 GRAD(Rho)z -0.1883796E-15 Laplacian -0.1675407E+01 (-1/4)Del**2(Rho)) 0.4188518E+00 Diamond 0.5811192E+01 Metallicity -0.6240557E+01 Ellipticity 0.4429495E-02 Gb(Abramov) 0.1564103E+00 Vb(Abramov) -0.7316723E+00 Hb(Abramov) -0.5752620E+00 Ex_ueg -0.1633940E+00 Ec_ueg -0.2033496E-01 Delta_ex 0.1677306E+00 Delta_ec 0.5780744E-01 Delta_et -0.1379122E+01 Pxc 0.8035128E+01 Qxc 0.2901539E+01 3,-1 182 3 -1 1.793304 2.771187 0.550467 Rho 0.1385930E+00 |GRAD(Rho)| 0.1197919E-11 GRAD(Rho)x 0.8981576E-12 GRAD(Rho)y -0.2820866E-12 GRAD(Rho)z -0.7407766E-12 Laplacian 0.5827251E+00 (-1/4)Del**2(Rho)) -0.1456813E+00 Diamond 0.1075699E+01 Metallicity 0.4389197E+01 Ellipticity 0.7750343E-02 Gb(Abramov) 0.2036915E+00 Vb(Abramov) -0.2617017E+00 Hb(Abramov) -0.5801020E-01 Ex_ueg -0.5297125E-01 Ec_ueg -0.7717351E-02 Delta_ex -0.6140084E-01 Delta_ec 0.1511138E-01 Delta_et -0.1989307E+00 Pxc 0.6863916E+01 Qxc -0.4063219E+01 3,-1 183 3 -1 2.819924 -1.809707 -0.608271 Rho 0.1414452E+00 |GRAD(Rho)| 0.1855357E-14 GRAD(Rho)x -0.4523291E-15 GRAD(Rho)y -0.1531639E-14 GRAD(Rho)z 0.9443672E-15 Laplacian 0.5779150E+00 (-1/4)Del**2(Rho)) -0.1444787E+00 Diamond 0.1078543E+01 Metallicity 0.4578567E+01 Ellipticity 0.1589536E-01 Gb(Abramov) 0.2065701E+00 Vb(Abramov) -0.2686614E+00 Hb(Abramov) -0.6209135E-01 Ex_ueg -0.5442971E-01 Ec_ueg -0.7898152E-02 Delta_ex -0.6103831E-01 Delta_ec 0.1462972E-01 Delta_et -0.1925870E+00 Pxc 0.6891448E+01 Qxc -0.4172214E+01 3,-1 184 3 -1 3.298789 0.001530 -3.219204 Rho 0.2367902E+00 |GRAD(Rho)| 0.1685980E-13 GRAD(Rho)x 0.1434535E-13 GRAD(Rho)y 0.8752696E-14 GRAD(Rho)z -0.1361704E-14 Laplacian 0.8407714E+00 (-1/4)Del**2(Rho)) -0.2101928E+00 Diamond 0.2943581E+01 Metallicity 0.7428047E+01 Ellipticity 0.1007509E-02 Gb(Abramov) 0.4003490E+00 Vb(Abramov) -0.5905051E+00 Hb(Abramov) -0.1901561E+00 Ex_ueg -0.1081940E+00 Ec_ueg -0.1421751E-01 Delta_ex -0.1013225E+00 Delta_ec 0.1881976E-01 Delta_et -0.2613089E+00 Pxc 0.7609914E+01 Qxc -0.5383833E+01 3,-1 185 3 -1 2.774029 1.797083 0.600142 Rho 0.1528785E+00 |GRAD(Rho)| 0.3129596E-14 GRAD(Rho)x 0.5126108E-15 GRAD(Rho)y -0.1690732E-14 GRAD(Rho)z 0.2583220E-14 Laplacian 0.6478082E+00 (-1/4)Del**2(Rho)) -0.1619521E+00 Diamond 0.1339949E+01 Metallicity 0.4649550E+01 Ellipticity 0.1461244E-01 Gb(Abramov) 0.2334687E+00 Vb(Abramov) -0.3049854E+00 Hb(Abramov) -0.7151667E-01 Ex_ueg -0.6037360E-01 Ec_ueg -0.8628036E-02 Delta_ex -0.6986414E-01 Delta_ec 0.1630412E-01 Delta_et -0.2174784E+00 Pxc 0.6997375E+01 Qxc -0.4285060E+01 3,-1 186 3 -1 -1.655651 -2.189673 -3.079240 Rho 0.3219809E+00 |GRAD(Rho)| 0.3424895E-15 GRAD(Rho)x 0.9250129E-16 GRAD(Rho)y -0.2201159E-15 GRAD(Rho)z -0.2455434E-15 Laplacian -0.1651902E+01 (-1/4)Del**2(Rho)) 0.4129756E+00 Diamond 0.5789274E+01 Metallicity -0.6309751E+01 Ellipticity 0.1601651E-02 Gb(Abramov) 0.1589785E+00 Vb(Abramov) -0.7309326E+00 Hb(Abramov) -0.5719541E+00 Ex_ueg -0.1629891E+00 Ec_ueg -0.2029078E-01 Delta_ex 0.1649966E+00 Delta_ec 0.5746125E-01 Delta_et -0.1368098E+01 Pxc 0.8032668E+01 Qxc 0.2871441E+01 3,-1 187 3 -1 1.231291 -1.810488 -2.549715 Rho 0.3050248E+00 |GRAD(Rho)| 0.3888703E-15 GRAD(Rho)x -0.1599949E-15 GRAD(Rho)y 0.9909820E-16 GRAD(Rho)z -0.3402959E-15 Laplacian -0.1504271E+01 (-1/4)Del**2(Rho)) 0.3760677E+00 Diamond 0.5114317E+01 Metallicity -0.6331583E+01 Ellipticity 0.4700925E-02 Gb(Abramov) 0.1461389E+00 Vb(Abramov) -0.6683455E+00 Hb(Abramov) -0.5222066E+00 Ex_ueg -0.1516463E+00 Ec_ueg -0.1905002E-01 Delta_ex 0.1464173E+00 Delta_ec 0.5353346E-01 Delta_et -0.1242266E+01 Pxc 0.7960430E+01 Qxc 0.2735061E+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 83 136 125 124 107 145 133 143 113 144 116 142 122 126 147 138 141 121 146 139 180 110 140 149 183 154 175 153 174 155 185 182 176 163 177 57 179 58 72 96 79 67 75 76 68 86 178 101 82 102 59 95 65 64 80 99 69 104 63 115 160 165 169 161 172 151 170 162 173 166 184 93 120 83 171 98 187 131 127 132 158 186 91 181 1 1 1 1 1 1 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 14 14 17 18 21 21 22 25 28 28 36 37 37 13 24 26 33 39 41 13 14 15 16 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 42 21 28 19 20 36 54 24 27 53 54 52 52 53 2.370131 2.027724 1.895037 1.966296 1.882772 1.732682 1.708885 1.684053 1.710347 1.712084 2.348991 1.981367 1.872974 2.008606 1.922973 1.731826 2.364106 1.886281 1.924768 1.963903 1.979312 1.732745 2.439757 1.914169 1.792249 2.125208 2.046977 1.730631 2.414947 1.903601 1.943611 1.917636 1.977393 1.730222 2.398902 1.946955 2.040835 1.883317 1.930219 1.721970 2.390700 1.930651 2.013623 1.892110 1.977669 1.721888 2.327953 1.933004 1.895627 2.028801 1.930138 1.732248 2.412386 1.944341 1.869449 2.044669 1.942545 1.721620 2.424992 1.967017 2.009901 1.851777 1.928153 1.732210 2.470308 1.987100 1.913150 1.981779 1.911337 1.722122 3.226485 3.125424 3.241410 3.276238 3.325506 1.009443 3.249318 3.229450 1.902866 1.658870 0.992769 1.960125 0.994583 2.371870 2.028046 1.895545 1.966955 1.883310 1.732687 1.708899 1.684096 1.710359 1.712088 2.350572 1.981688 1.873409 2.009296 1.923585 1.731836 2.365847 1.886672 1.925158 1.964509 1.979988 1.732753 2.441271 1.914702 1.792422 2.126057 2.047753 1.730660 2.416820 1.904010 1.944032 1.918279 1.978055 1.730229 2.400645 1.947548 2.041329 1.883946 1.930975 1.721992 2.392865 1.931382 2.014260 1.892855 1.979178 1.721908 2.329919 1.933449 1.896023 2.029352 1.931586 1.732253 2.413886 1.944913 1.870005 2.045442 1.943353 1.721635 2.426788 1.967420 2.010293 1.852219 1.928785 1.732215 2.471756 1.987847 1.914686 1.982653 1.912093 1.722134 3.261636 3.130213 3.249483 3.282795 3.330396 1.009548 3.259311 3.244795 1.904038 1.662419 0.992902 1.971918 0.994730 30 29 28 28 26 22 22 22 22 22 30 27 28 26 29 25 31 26 29 27 27 24 29 27 24 29 25 24 29 30 29 27 26 24 30 28 27 26 28 23 30 27 26 28 26 23 30 27 29 27 26 22 32 26 28 27 27 25 31 25 27 22 25 22 29 26 26 27 25 23 35 35 35 35 35 20 35 35 27 23 22 27 23 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W As W W Mo W Mo Mo W Mo W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.4780 2.4671 2.4987 2.4941 2.3039 2.5013 2.3628 2.3650 2.5044 2.3698 2.4871 2.3524 -1.1253 -1.0405 -1.1271 -1.1301 -0.8978 -0.9211 -0.9226 -0.9568 -0.7261 -0.9530 -0.9536 -0.9023 -0.9237 -0.9381 -0.9550 -0.8333 -0.9208 -0.9072 -0.9226 -0.8827 -0.9558 -0.9129 -0.9214 -0.7619 -0.7901 -0.9143 -0.9316 -0.9526 -0.7638 -0.6879 -0.7593 -0.7647 -0.7107 -0.7592 -0.6839 -0.6834 -0.7578 -0.6852 -0.7668 0.2962 0.3231 0.2987 2.0879 0.8206 2.0858 2.0872 1.9698 2.0843 1.9379 1.9660 2.0987 1.9261 2.0886 1.9545 1.9361 1.9469 1.9351 1.9340 1.9421 1.9409 1.9369 1.9333 1.8830 1.9352 1.9357 1.9436 1.9381 1.9370 1.9341 1.9732 1.9497 1.9499 1.9472 1.9524 1.9454 1.9505 1.9504 1.8828 1.8848 1.9502 1.9474 1.9471 1.9700 1.9806 1.9708 1.9703 1.9781 1.9713 1.9811 1.9811 1.9698 1.9816 1.9698 0.5698 0.5411 0.5336 6.0889 1.1575 6.0861 6.0897 6.0785 6.0869 6.0666 6.0614 6.0881 6.0651 6.0881 6.0650 5.1517 5.0553 5.1546 5.1587 4.9290 4.9539 4.9578 4.9931 4.8126 4.9880 4.9876 4.9300 4.9572 4.9730 4.9903 4.8288 4.9407 4.9265 4.9449 4.9017 4.9777 4.9334 4.9407 4.8475 4.8751 4.9342 4.9535 4.9727 4.7569 4.6727 4.7515 4.7576 4.6994 4.7507 4.6680 4.6675 4.7513 4.6688 4.7601 0.1340 0.1359 0.1677 3.3162 10.5548 3.3004 3.2996 3.6478 3.2982 3.6327 3.6076 3.2796 3.6389 3.3073 3.6281 0.0376 0.0382 0.0375 0.0375 0.0267 0.0262 0.0279 0.0304 0.0305 0.0297 0.0304 0.0287 0.0285 0.0281 0.0306 0.0313 0.0304 0.0308 0.0304 0.0286 0.0328 0.0290 0.0303 0.0316 0.0302 0.0299 0.0307 0.0328 0.0368 0.0347 0.0370 0.0368 0.0332 0.0372 0.0348 0.0347 0.0367 0.0349 0.0368 0.0000 0.0000 0.0000 14.0290 0.0000 14.0290 14.0294 0.0000 14.0292 0.0000 0.0000 14.0292 0.0000 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W As W W Mo W Mo Mo W Mo W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.510811 2.317033 2.515246 2.517886 3.147646 2.519361 3.179492 3.182355 2.535639 3.175857 2.512576 3.172965 -1.134087 -1.075363 -1.132021 -1.182700 -1.176996 -1.180208 -1.065450 -0.947570 -0.724056 -0.949953 -0.941118 -1.067676 -1.035461 -1.044186 -0.951226 -0.903475 -0.999572 -1.037146 -1.029356 -1.131569 -0.929551 -1.038280 -1.036730 -0.580349 -0.662073 -1.038032 -1.018128 -0.922007 -0.791775 -0.959824 -0.786762 -0.792486 -0.983960 -0.785997 -0.952299 -0.949947 -0.785959 -0.951179 -0.795567 0.070901 0.065638 0.046688 1.955818 1.689814 1.955325 1.949155 2.338963 1.948281 2.370905 2.351215 1.961377 2.375839 1.948177 2.348112 -0.811863 -0.785455 -0.807527 -0.871238 -0.900897 -0.924489 -0.805622 -0.711922 -0.794711 -0.718455 -0.698020 -0.823525 -0.809340 -0.800846 -0.708002 -0.733541 -0.838602 -0.834258 -0.829843 -0.921222 -0.751547 -0.826688 -0.838279 -0.734891 -0.821615 -0.842417 -0.835902 -0.752129 -0.672679 -0.707768 -0.668531 -0.674990 -0.746862 -0.672045 -0.713242 -0.698859 -0.659795 -0.708517 -0.681961 0.352768 0.311465 0.280881 2.050235 1.668875 2.048348 2.045795 2.406455 2.044407 2.448731 2.497447 2.084567 2.457018 2.042931 2.448405 -0.834002 -0.860898 -0.836573 -0.888356 -0.977950 -1.004334 -0.889661 -0.791681 -0.859622 -0.797417 -0.783107 -0.889309 -0.887963 -0.926469 -0.784497 -0.812729 -0.870262 -0.886070 -0.871380 -0.949150 -0.784628 -0.871222 -0.885387 -0.794750 -0.917745 -0.879803 -0.878828 -0.792742 -0.639211 -0.689313 -0.634695 -0.635404 -0.715629 -0.637321 -0.676756 -0.689773 -0.654917 -0.665958 -0.650026 0.488546 0.408902 0.354874 -1.71367915 -2.61163474 -2.67435766 4.11211881 -8.92335447 0.16217801 -9.44491232 8.23477333 15.10136760 0.68858114 -364.6556 409.3127 -105.6410 -366.9106 -18.6948 -446.5892 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:13 Nodes: 1 Procs: 1 Jun10-2024 15:29:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:26 Nodes: 1 Procs: 5 *** (NO TITLE) *** -4 -15.84537418 -16.24706026 -15.92384213 -16.20075852 -16.34531680 -16.37351727 -16.39619269 -16.39793432 -16.39864162 -16.39960959 -16.40034986 -16.40383600 -16.40584452 -16.40759272 -16.40756484 -16.40996192 -16.40999451 -16.41077211 -16.41090050 -16.41107033 -16.41113371 -16.41120661 -16.41124889 -16.41128936 -16.41131768 -16.41135030 -16.41137546 -16.41140498 -16.41142682 -16.41144473 -16.41146514 -16.41148969 -16.41151919 -16.41156786 -16.41166009 -16.41172486 -16.41175593 -16.41181075 -16.41183513 -16.41184650 -16.41185034 GEOMETRY CONVERGED