ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.05 2.02 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 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.50 0.05 2.27 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:28 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.58 0.07 2.24 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 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) 0.99 0.05 1.47 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:52 Hydrogen (TZP) c3-4 c3-4 c3-4 c3-4 c3-4 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.08 3.23 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 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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 15:28:58 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun10-2024 15:28:46 1 1 Oxygen TZP 1s t21.Mo ADF 2019.304 Jun10-2024 15:28:34 1 1 Molybdenum TZP 3d t21.As ADF 2019.304 Jun10-2024 15:28:21 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun10-2024 15:28:12 1 1 Hydrogen TZP 1 1 -13.92353236 0.24592997 0.00100000 F 0.09558415 0.00066667 F 0.24592997 0.09558415 0.23631911 0.01000000 F 0.05376939 0.00666667 F Cartesian 2097.661199999998 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2.886598 1.271786 -1.368950 Rho 0.3188760E+03 3,-3 19 3 -3 -2.199282 2.198882 -1.729052 Rho 0.3193389E+03 3,-3 20 3 -3 3.360705 -0.936701 -0.017262 Rho 0.3189317E+03 3,-3 21 3 -3 -2.165236 2.193836 1.808845 Rho 0.3187063E+03 3,-3 22 3 -3 0.892492 -3.226686 -0.015998 Rho 0.3188021E+03 3,-3 23 3 -3 0.133658 1.714053 2.964000 Rho 0.3188442E+03 3,-3 24 3 -3 -1.341531 -3.142215 -1.612928 Rho 0.3192753E+03 3,-3 25 3 -3 2.851434 1.257614 1.265980 Rho 0.3189211E+03 3,-3 26 3 -3 -1.738254 -0.088931 -3.175116 Rho 0.3187029E+03 3,-3 27 3 -3 2.069631 -0.065106 -3.456584 Rho 0.3189335E+03 3,-3 28 3 -3 -0.918679 4.457409 -2.735694 Rho 0.3193535E+03 3,-3 29 3 -3 1.353362 3.514998 -1.287053 Rho 0.3190112E+03 3,-3 30 3 -3 0.244888 -2.042329 3.572503 Rho 0.3189059E+03 3,-3 31 3 -3 2.453063 -2.374218 -2.165280 Rho 0.3190115E+03 3,-3 32 3 -3 -0.967921 3.915131 0.084758 Rho 0.3189781E+03 3,-3 33 3 -3 2.506453 -2.346280 2.075983 Rho 0.3191134E+03 3,-3 34 3 -3 0.923381 -4.612216 2.501961 Rho 0.3192076E+03 3,-3 35 3 -3 2.081029 -0.066289 3.484084 Rho 0.3190749E+03 3,-3 36 3 -3 0.165113 -1.980250 -3.579286 Rho 0.3189238E+03 3,-3 37 3 -3 1.402410 3.487520 1.363104 Rho 0.3189431E+03 3,-3 38 3 -3 0.798401 -4.598347 -2.541281 Rho 0.3192074E+03 3,-3 39 3 -3 4.690737 -0.694837 -2.490210 Rho 0.3192386E+03 3,-3 40 3 -3 -0.760422 4.452351 2.840841 Rho 0.3192511E+03 3,-3 41 3 -3 4.689318 -0.598246 2.541110 Rho 0.3193500E+03 3,-3 42 3 -3 3.033970 -0.582172 1.978229 Rho 0.1240651E+06 3,-3 43 3 -3 -0.647788 3.063718 -1.708652 Rho 0.1240649E+06 3,-3 44 3 -3 -0.346207 -0.093271 0.007723 Rho 0.4276109E+05 3,-3 45 3 -3 -2.115049 1.272988 2.198033 Rho 0.4387341E+00 3,-3 46 3 -3 -2.003942 0.596283 -2.501118 Rho 0.4423046E+00 3,-3 47 3 +1 -1.883020 0.570948 -1.393759 Rho 0.7259965E-02 |GRAD(Rho)| 0.1020703E-14 GRAD(Rho)x 0.6617721E-15 GRAD(Rho)y -0.3563018E-15 GRAD(Rho)z 0.6906099E-15 Laplacian 0.2583979E-01 (-1/4)Del**2(Rho)) -0.6459947E-02 Diamond 0.6409125E-03 Metallicity 0.7259083E+00 Ellipticity -0.1735689E+01 Gb(Abramov) 0.5088186E-02 Vb(Abramov) -0.3716426E-02 Hb(Abramov) 0.1371761E-02 Ex_ueg -0.1038240E-02 Ec_ueg -0.2454282E-03 Delta_ex -0.1183140E-02 Delta_ec 0.4561767E-03 Delta_et -0.2905648E-02 Pxc 0.4230320E+01 Qxc -0.2593600E+01 3,+1 48 3 -1 -1.910773 0.928806 -0.942232 Rho 0.8425155E-02 |GRAD(Rho)| 0.3908130E-16 GRAD(Rho)x 0.1918773E-16 GRAD(Rho)y -0.1990123E-16 GRAD(Rho)z -0.2762463E-16 Laplacian 0.3071784E-01 (-1/4)Del**2(Rho)) -0.7679459E-02 Diamond 0.1558554E-02 Metallicity 0.7825625E+00 Ellipticity 0.3266992E+00 Gb(Abramov) 0.6121249E-02 Vb(Abramov) -0.4563038E-02 Hb(Abramov) 0.1558210E-02 Ex_ueg -0.1266161E-02 Ec_ueg -0.2971639E-03 Delta_ex -0.1747617E-02 Delta_ec 0.1059960E-02 Delta_et -0.6693441E-02 Pxc 0.4260817E+01 Qxc -0.1648757E+01 3,-1 49 3 -1 -1.880222 0.876646 0.988290 Rho 0.7933919E-02 |GRAD(Rho)| 0.1008556E-16 GRAD(Rho)x 0.5361119E-18 GRAD(Rho)y 0.8988574E-17 GRAD(Rho)z 0.4542765E-17 Laplacian 0.2912502E-01 (-1/4)Del**2(Rho)) -0.7281256E-02 Diamond 0.1331902E-02 Metallicity 0.7467235E+00 Ellipticity 0.2703890E+00 Gb(Abramov) 0.5760351E-02 Vb(Abramov) -0.4239447E-02 Hb(Abramov) 0.1520904E-02 Ex_ueg -0.1168697E-02 Ec_ueg -0.2752770E-03 Delta_ex -0.1621615E-02 Delta_ec 0.9773306E-03 Delta_et -0.6070726E-02 Pxc 0.4245531E+01 Qxc -0.1659229E+01 3,-1 50 3 +1 -1.768397 0.293252 1.548769 Rho 0.6000499E-02 |GRAD(Rho)| 0.5756811E-17 GRAD(Rho)x -0.2292392E-17 GRAD(Rho)y -0.5243630E-17 GRAD(Rho)z 0.6246282E-18 Laplacian 0.2105915E-01 (-1/4)Del**2(Rho)) -0.5264787E-02 Diamond 0.4106817E-03 Metallicity 0.6483626E+00 Ellipticity -0.1652591E+01 Gb(Abramov) 0.4078773E-02 Vb(Abramov) -0.2892759E-02 Hb(Abramov) 0.1186014E-02 Ex_ueg -0.8053194E-03 Ec_ueg -0.1902192E-03 Delta_ex -0.9270870E-03 Delta_ec 0.3810732E-03 Delta_et -0.2297095E-02 Pxc 0.4233639E+01 Qxc -0.2432832E+01 3,+1 51 3 +1 -1.447481 1.065640 0.909357 Rho 0.7466423E-02 |GRAD(Rho)| 0.1477612E-14 GRAD(Rho)x 0.1241092E-14 GRAD(Rho)y -0.4224982E-16 GRAD(Rho)z -0.8007756E-15 Laplacian 0.2702931E-01 (-1/4)Del**2(Rho)) -0.6757327E-02 Diamond 0.7711986E-03 Metallicity 0.7271643E+00 Ellipticity -0.2069151E+01 Gb(Abramov) 0.5323832E-02 Vb(Abramov) -0.3890338E-02 Hb(Abramov) 0.1433494E-02 Ex_ueg -0.1077793E-02 Ec_ueg -0.2545498E-03 Delta_ex -0.1286605E-02 Delta_ec 0.5498285E-03 Delta_et -0.3480181E-02 Pxc 0.4234112E+01 Qxc -0.2340012E+01 3,+1 52 3 +1 -1.218499 1.212622 2.641463 Rho 0.1426210E-01 |GRAD(Rho)| 0.4639600E-16 GRAD(Rho)x -0.3791324E-16 GRAD(Rho)y 0.1347383E-16 GRAD(Rho)z -0.2310045E-16 Laplacian 0.6570366E-01 (-1/4)Del**2(Rho)) -0.1642591E-01 Diamond 0.3347930E-02 Metallicity 0.8796896E+00 Ellipticity -0.1414879E+01 Gb(Abramov) 0.1335889E-01 Vb(Abramov) -0.1029187E-01 Hb(Abramov) 0.3067020E-02 Ex_ueg -0.2554444E-02 Ec_ueg -0.5649772E-03 Delta_ex -0.3383597E-02 Delta_ec 0.8571615E-03 Delta_et -0.6699113E-02 Pxc 0.4521323E+01 Qxc -0.3947443E+01 3,+1 53 3 -1 -2.048776 1.157996 -2.254553 Rho 0.3608164E-01 |GRAD(Rho)| 0.3565807E-16 GRAD(Rho)x 0.8328934E-17 GRAD(Rho)y 0.3313082E-16 GRAD(Rho)z 0.1022134E-16 Laplacian 0.1106537E+00 (-1/4)Del**2(Rho)) -0.2766342E-01 Diamond 0.5326181E-01 Metallicity 0.2453528E+01 Ellipticity 0.1300882E-01 Gb(Abramov) 0.2975445E-01 Vb(Abramov) -0.3184547E-01 Hb(Abramov) -0.2091025E-02 Ex_ueg -0.8805759E-02 Ec_ueg -0.1661365E-02 Delta_ex -0.9547688E-02 Delta_ec 0.5356743E-02 Delta_et -0.5186955E-01 Pxc 0.5300315E+01 Qxc -0.1782368E+01 3,-1 54 3 +1 -1.239816 1.297302 -2.549986 Rho 0.1331167E-01 |GRAD(Rho)| 0.2206449E-13 GRAD(Rho)x -0.2509911E-14 GRAD(Rho)y 0.1953196E-13 GRAD(Rho)z 0.9952108E-14 Laplacian 0.6221780E-01 (-1/4)Del**2(Rho)) -0.1555445E-01 Diamond 0.2876020E-02 Metallicity 0.8281065E+00 Ellipticity -0.1369422E+01 Gb(Abramov) 0.1251642E-01 Vb(Abramov) -0.9478398E-02 Hb(Abramov) 0.3038026E-02 Ex_ueg -0.2330032E-02 Ec_ueg -0.5204540E-03 Delta_ex -0.3143836E-02 Delta_ec 0.8082515E-03 Delta_et -0.6214981E-02 Pxc 0.4476922E+01 Qxc -0.3889676E+01 3,+1 55 3 -1 -1.776985 0.003156 -1.559031 Rho 0.8360162E-02 |GRAD(Rho)| 0.6799260E-15 GRAD(Rho)x 0.1533507E-15 GRAD(Rho)y 0.6426917E-15 GRAD(Rho)z 0.1604067E-15 Laplacian 0.3090390E-01 (-1/4)Del**2(Rho)) -0.7725975E-02 Diamond 0.1562771E-02 Metallicity 0.7678758E+00 Ellipticity 0.3286074E+00 Gb(Abramov) 0.6139415E-02 Vb(Abramov) -0.4552855E-02 Hb(Abramov) 0.1586560E-02 Ex_ueg -0.1253154E-02 Ec_ueg -0.2942619E-03 Delta_ex -0.1760634E-02 Delta_ec 0.1075623E-02 Delta_et -0.6773493E-02 Pxc 0.4258637E+01 Qxc -0.1636851E+01 3,-1 56 3 -1 -1.982095 0.811910 2.553496 Rho 0.3891701E-01 |GRAD(Rho)| 0.3376861E-13 GRAD(Rho)x 0.3142737E-14 GRAD(Rho)y -0.2465710E-13 GRAD(Rho)z 0.2285760E-13 Laplacian 0.1139411E+00 (-1/4)Del**2(Rho)) -0.2848527E-01 Diamond 0.6122065E-01 Metallicity 0.2702912E+01 Ellipticity 0.1255042E-01 Gb(Abramov) 0.3182238E-01 Vb(Abramov) -0.3515948E-01 Hb(Abramov) -0.3337105E-02 Ex_ueg -0.9740269E-02 Ec_ueg -0.1812093E-02 Delta_ex -0.1002262E-01 Delta_ec 0.5565287E-02 Delta_et -0.5511003E-01 Pxc 0.5375148E+01 Qxc -0.1800917E+01 3,-1 57 3 -1 -2.124556 1.480055 2.110535 Rho 0.3142992E+00 |GRAD(Rho)| 0.7908482E-15 GRAD(Rho)x -0.3072626E-15 GRAD(Rho)y -0.7183085E-15 GRAD(Rho)z 0.1227330E-15 Laplacian -0.1576491E+01 (-1/4)Del**2(Rho)) 0.3941227E+00 Diamond 0.5443390E+01 Metallicity -0.6350783E+01 Ellipticity 0.4917970E-02 Gb(Abramov) 0.1544161E+00 Vb(Abramov) -0.7029550E+00 Hb(Abramov) -0.5485388E+00 Ex_ueg -0.1578251E+00 Ec_ueg -0.1972668E-01 Delta_ex 0.1556954E+00 Delta_ec 0.5534491E-01 Delta_et -0.1302867E+01 Pxc 0.8000591E+01 Qxc 0.2813183E+01 3,-1 58 3 -1 -1.942529 0.442451 -2.652322 Rho 0.3175660E+00 |GRAD(Rho)| 0.4362055E-13 GRAD(Rho)x -0.2141992E-13 GRAD(Rho)y -0.3141271E-13 GRAD(Rho)z -0.2138178E-13 Laplacian -0.1602973E+01 (-1/4)Del**2(Rho)) 0.4007434E+00 Diamond 0.5582203E+01 Metallicity -0.6354433E+01 Ellipticity 0.5017907E-02 Gb(Abramov) 0.1572539E+00 Vb(Abramov) -0.7152512E+00 Hb(Abramov) -0.5579973E+00 Ex_ueg -0.1600161E+00 Ec_ueg -0.1996617E-01 Delta_ex 0.1590364E+00 Delta_ec 0.5613067E-01 Delta_et -0.1327509E+01 Pxc 0.8014361E+01 Qxc 0.2833324E+01 3,-1 59 3 +1 -1.444423 1.097800 -0.864426 Rho 0.7819160E-02 |GRAD(Rho)| 0.5837958E-13 GRAD(Rho)x -0.2146931E-13 GRAD(Rho)y -0.5013444E-13 GRAD(Rho)z 0.2082743E-13 Laplacian 0.2813347E-01 (-1/4)Del**2(Rho)) -0.7033367E-02 Diamond 0.8323462E-03 Metallicity 0.7544957E+00 Ellipticity -0.2015544E+01 Gb(Abramov) 0.5573352E-02 Vb(Abramov) -0.4113337E-02 Hb(Abramov) 0.1460015E-02 Ex_ueg -0.1146213E-02 Ec_ueg -0.2701798E-03 Delta_ex -0.1342255E-02 Delta_ec 0.5520631E-03 Delta_et -0.3551445E-02 Pxc 0.4242408E+01 Qxc -0.2431343E+01 3,+1 60 3 -1 -0.839120 -0.057750 -3.375140 Rho 0.1403162E+00 |GRAD(Rho)| 0.9850309E-14 GRAD(Rho)x 0.3663980E-14 GRAD(Rho)y 0.9119630E-14 GRAD(Rho)z -0.6604553E-15 Laplacian 0.5348337E+00 (-1/4)Del**2(Rho)) -0.1337084E+00 Diamond 0.1016208E+01 Metallicity 0.4881735E+01 Ellipticity 0.1109870E+00 Gb(Abramov) 0.1979271E+00 Vb(Abramov) -0.2621458E+00 Hb(Abramov) -0.6421871E-01 Ex_ueg -0.5385122E-01 Ec_ueg -0.7826524E-02 Delta_ex -0.5667835E-01 Delta_ec 0.1410294E-01 Delta_et -0.1865778E+00 Pxc 0.6880605E+01 Qxc -0.4018904E+01 3,-1 61 3 +1 -1.187340 -0.125906 -1.640103 Rho 0.7344286E-02 |GRAD(Rho)| 0.1467162E-14 GRAD(Rho)x 0.1403689E-14 GRAD(Rho)y -0.2978285E-15 GRAD(Rho)z 0.3058085E-15 Laplacian 0.2706023E-01 (-1/4)Del**2(Rho)) -0.6765058E-02 Diamond 0.7105194E-03 Metallicity 0.7066390E+00 Ellipticity -0.1770248E+01 Gb(Abramov) 0.5306781E-02 Vb(Abramov) -0.3848504E-02 Hb(Abramov) 0.1458277E-02 Ex_ueg -0.1054349E-02 Ec_ueg -0.2491513E-03 Delta_ex -0.1258422E-02 Delta_ec 0.5062623E-03 Delta_et -0.3215571E-02 Pxc 0.4231764E+01 Qxc -0.2485711E+01 3,+1 62 3 +1 1.347599 0.634279 0.885966 Rho 0.6532271E-02 |GRAD(Rho)| 0.4873177E-11 GRAD(Rho)x -0.2852936E-11 GRAD(Rho)y -0.3735004E-11 GRAD(Rho)z 0.1287772E-11 Laplacian 0.2571327E-01 (-1/4)Del**2(Rho)) -0.6428317E-02 Diamond 0.4941615E-03 Metallicity 0.6117344E+00 Ellipticity -0.1376974E+01 Gb(Abramov) 0.4940949E-02 Vb(Abramov) -0.3453580E-02 Hb(Abramov) 0.1487369E-02 Ex_ueg -0.9018563E-03 Ec_ueg -0.2134372E-03 Delta_ex -0.1110176E-02 Delta_ec 0.3859604E-03 Delta_et -0.2435415E-02 Pxc 0.4225395E+01 Qxc -0.2876398E+01 3,+1 63 3 +1 1.374692 0.693692 -0.872662 Rho 0.6460660E-02 |GRAD(Rho)| 0.8654693E-17 GRAD(Rho)x -0.8025113E-17 GRAD(Rho)y -0.2683808E-17 GRAD(Rho)z 0.1816166E-17 Laplacian 0.2525809E-01 (-1/4)Del**2(Rho)) -0.6314522E-02 Diamond 0.4598686E-03 Metallicity 0.6114217E+00 Ellipticity -0.1342139E+01 Gb(Abramov) 0.4853154E-02 Vb(Abramov) -0.3391786E-02 Hb(Abramov) 0.1461368E-02 Ex_ueg -0.8886981E-03 Ec_ueg -0.2103026E-03 Delta_ex -0.1075500E-02 Delta_ec 0.3575236E-03 Delta_et -0.2267029E-02 Pxc 0.4225807E+01 Qxc -0.3008192E+01 3,+1 64 3 -1 0.084759 -0.408740 -0.651923 Rho 0.1595151E+00 |GRAD(Rho)| 0.1017987E-14 GRAD(Rho)x -0.1942890E-15 GRAD(Rho)y 0.2341877E-15 GRAD(Rho)z 0.9714451E-15 Laplacian 0.3766843E+00 (-1/4)Del**2(Rho)) -0.9417107E-01 Diamond 0.8406400E+00 Metallicity 0.8582992E+01 Ellipticity 0.6174726E-02 Gb(Abramov) 0.1974923E+00 Vb(Abramov) -0.3008135E+00 Hb(Abramov) -0.1033212E+00 Ex_ueg -0.6389313E-01 Ec_ueg -0.9055374E-02 Delta_ex -0.4124333E-01 Delta_ec 0.9718628E-02 Delta_et -0.1312176E+00 Pxc 0.7055824E+01 Qxc -0.4243740E+01 3,-1 65 3 -1 -1.136937 -0.223831 -0.012320 Rho 0.2086571E+00 |GRAD(Rho)| 0.1340179E-15 GRAD(Rho)x 0.1179612E-15 GRAD(Rho)y 0.6331741E-16 GRAD(Rho)z 0.6071532E-17 Laplacian 0.6069024E+00 (-1/4)Del**2(Rho)) -0.1517256E+00 Diamond 0.1750653E+01 Metallicity 0.8334566E+01 Ellipticity 0.2365772E-02 Gb(Abramov) 0.3119116E+00 Vb(Abramov) -0.4720975E+00 Hb(Abramov) -0.1601860E+00 Ex_ueg -0.9140347E-01 Ec_ueg -0.1229944E-01 Delta_ex -0.7030973E-01 Delta_ec 0.1323306E-01 Delta_et -0.1793034E+00 Pxc 0.7431514E+01 Qxc -0.5313188E+01 3,-1 66 3 +1 1.435342 -0.457642 2.288141 Rho 0.2153720E-01 |GRAD(Rho)| 0.3270677E-16 GRAD(Rho)x -0.9321416E-17 GRAD(Rho)y 0.8539370E-17 GRAD(Rho)z 0.3016493E-16 Laplacian 0.8124888E-01 (-1/4)Del**2(Rho)) -0.2031222E-01 Diamond 0.8837958E-02 Metallicity 0.1413984E+01 Ellipticity -0.3768986E+01 Gb(Abramov) 0.1832834E-01 Vb(Abramov) -0.1634446E-01 Hb(Abramov) 0.1983881E-02 Ex_ueg -0.4425585E-02 Ec_ueg -0.9159997E-03 Delta_ex -0.4881054E-02 Delta_ec 0.1421813E-02 Delta_et -0.1208203E-01 Pxc 0.4831426E+01 Qxc -0.3432980E+01 3,+1 67 3 -1 -0.979680 -0.121293 3.400951 Rho 0.2153969E+00 |GRAD(Rho)| 0.7732769E-13 GRAD(Rho)x -0.4504806E-13 GRAD(Rho)y -0.6182425E-13 GRAD(Rho)z 0.1131397E-13 Laplacian 0.8310877E+00 (-1/4)Del**2(Rho)) -0.2077719E+00 Diamond 0.2563027E+01 Metallicity 0.6417493E+01 Ellipticity 0.1736210E-01 Gb(Abramov) 0.3607438E+00 Vb(Abramov) -0.5137156E+00 Hb(Abramov) -0.1529718E+00 Ex_ueg -0.9536104E-01 Ec_ueg -0.1275498E-01 Delta_ex -0.9752407E-01 Delta_ec 0.1874907E-01 Delta_et -0.2576151E+00 Pxc 0.7476379E+01 Qxc -0.5201541E+01 3,-1 68 3 +1 0.095355 0.900995 -1.564021 Rho 0.7994442E-02 |GRAD(Rho)| 0.1227198E-14 GRAD(Rho)x 0.2744612E-16 GRAD(Rho)y 0.6936904E-15 GRAD(Rho)z 0.1011957E-14 Laplacian 0.3118775E-01 (-1/4)Del**2(Rho)) -0.7796939E-02 Diamond 0.7233797E-03 Metallicity 0.7062243E+00 Ellipticity -0.1368813E+01 Gb(Abramov) 0.6115690E-02 Vb(Abramov) -0.4434442E-02 Hb(Abramov) 0.1681248E-02 Ex_ueg -0.1180599E-02 Ec_ueg -0.2779678E-03 Delta_ex -0.1382765E-02 Delta_ec 0.4102849E-03 Delta_et -0.2775713E-02 Pxc 0.4247253E+01 Qxc -0.3370256E+01 3,+1 69 3 +3 -0.910552 0.755574 -1.638355 Rho 0.4942045E-02 |GRAD(Rho)| 0.3146181E-14 GRAD(Rho)x -0.1530169E-14 GRAD(Rho)y 0.3273145E-15 GRAD(Rho)z -0.2729451E-14 Laplacian 0.1856875E-01 (-1/4)Del**2(Rho)) -0.4642188E-02 Diamond 0.1390904E-03 Metallicity 0.5321184E+00 Ellipticity -0.2590156E+00 Gb(Abramov) 0.3506491E-02 Vb(Abramov) -0.2370794E-02 Hb(Abramov) 0.1135697E-02 Ex_ueg -0.6217188E-03 Ec_ueg -0.1444196E-03 Delta_ex -0.6502854E-03 Delta_ec 0.1011156E-03 Delta_et -0.7429913E-03 Pxc 0.4304947E+01 Qxc -0.6431108E+01 3,+3 70 3 -1 1.515490 -2.658675 1.970961 Rho 0.7669745E-01 |GRAD(Rho)| 0.4897765E-14 GRAD(Rho)x -0.4561754E-14 GRAD(Rho)y -0.1621640E-14 GRAD(Rho)z -0.7408036E-15 Laplacian 0.3060229E+00 (-1/4)Del**2(Rho)) -0.7650574E-01 Diamond 0.2728249E+00 Metallicity 0.3117650E+01 Ellipticity 0.9184287E-02 Gb(Abramov) 0.9075685E-01 Vb(Abramov) -0.1050080E+00 Hb(Abramov) -0.1425111E-01 Ex_ueg -0.2406724E-01 Ec_ueg -0.3936639E-02 Delta_ex -0.2798645E-01 Delta_ec 0.8883128E-02 Delta_et -0.1041553E+00 Pxc 0.6113652E+01 Qxc -0.3150518E+01 3,-1 71 3 -1 -0.544724 -3.081892 -1.734328 Rho 0.2314747E+00 |GRAD(Rho)| 0.1304471E-13 GRAD(Rho)x -0.1493272E-14 GRAD(Rho)y -0.5032358E-14 GRAD(Rho)z 0.1194194E-13 Laplacian 0.8976082E+00 (-1/4)Del**2(Rho)) -0.2244020E+00 Diamond 0.3005859E+01 Metallicity 0.6699344E+01 Ellipticity 0.1043979E-01 Gb(Abramov) 0.4001591E+00 Vb(Abramov) -0.5759162E+00 Hb(Abramov) -0.1757571E+00 Ex_ueg -0.1049679E+00 Ec_ueg -0.1385178E-01 Delta_ex -0.1072446E+00 Delta_ec 0.1970667E-01 Delta_et -0.2711793E+00 Pxc 0.7577937E+01 Qxc -0.5442044E+01 3,-1 72 3 +1 1.427004 1.727089 -1.979733 Rho 0.5703115E-02 |GRAD(Rho)| 0.1361311E-16 GRAD(Rho)x -0.1020977E-17 GRAD(Rho)y 0.1212685E-16 GRAD(Rho)z 0.6100315E-17 Laplacian 0.2382109E-01 (-1/4)Del**2(Rho)) -0.5955273E-02 Diamond 0.6157156E-03 Metallicity 0.5266293E+00 Ellipticity -0.2293973E+01 Gb(Abramov) 0.4492886E-02 Vb(Abramov) -0.3030498E-02 Hb(Abramov) 0.1462388E-02 Ex_ueg -0.7525487E-03 Ec_ueg -0.1772951E-03 Delta_ex -0.1178244E-02 Delta_ec 0.6842743E-03 Delta_et -0.3891926E-02 Pxc 0.4244611E+01 Qxc -0.1721889E+01 3,+1 73 3 +3 -0.974464 0.704378 1.647199 Rho 0.4908724E-02 |GRAD(Rho)| 0.4607318E-17 GRAD(Rho)x -0.4064706E-17 GRAD(Rho)y 0.2146229E-17 GRAD(Rho)z 0.3150367E-18 Laplacian 0.1848352E-01 (-1/4)Del**2(Rho)) -0.4620880E-02 Diamond 0.1497103E-03 Metallicity 0.5285785E+00 Ellipticity -0.5067769E+00 Gb(Abramov) 0.3487670E-02 Vb(Abramov) -0.2354459E-02 Hb(Abramov) 0.1133210E-02 Ex_ueg -0.6161359E-03 Ec_ueg -0.1429869E-03 Delta_ex -0.6580337E-03 Delta_ec 0.1219452E-03 Delta_et -0.8449934E-03 Pxc 0.4309037E+01 Qxc -0.5396144E+01 3,+3 74 3 +3 1.741488 0.208419 0.013814 Rho 0.3608469E-02 |GRAD(Rho)| 0.3031262E-17 GRAD(Rho)x -0.2383221E-17 GRAD(Rho)y 0.6738179E-18 GRAD(Rho)z -0.1747791E-17 Laplacian 0.1408319E-01 (-1/4)Del**2(Rho)) -0.3520798E-02 Diamond 0.7452071E-04 Metallicity 0.4153845E+00 Ellipticity -0.3359720E+00 Gb(Abramov) 0.2590946E-02 Vb(Abramov) -0.1661094E-02 Hb(Abramov) 0.9298518E-03 Ex_ueg -0.4087731E-03 Ec_ueg -0.8753000E-04 Delta_ex -0.4614194E-03 Delta_ec 0.9154309E-04 Delta_et -0.5962335E-03 Pxc 0.4670092E+01 Qxc -0.5040461E+01 3,+3 75 3 -1 -0.791730 3.808548 -2.255648 Rho 0.2186583E+00 |GRAD(Rho)| 0.3044815E-14 GRAD(Rho)x 0.2745119E-14 GRAD(Rho)y -0.2883978E-15 GRAD(Rho)z 0.1285322E-14 Laplacian 0.8063718E+00 (-1/4)Del**2(Rho)) -0.2015930E+00 Diamond 0.2552903E+01 Metallicity 0.6781947E+01 Ellipticity 0.1467066E-01 Gb(Abramov) 0.3622608E+00 Vb(Abramov) -0.5229286E+00 Hb(Abramov) -0.1606678E+00 Ex_ueg -0.9729107E-01 Ec_ueg -0.1297631E-01 Delta_ex -0.9511721E-01 Delta_ec 0.1833697E-01 Delta_et -0.2530473E+00 Pxc 0.7497590E+01 Qxc -0.5187183E+01 3,-1 76 3 +1 -0.420515 2.722887 -0.160282 Rho 0.2725089E-01 |GRAD(Rho)| 0.5414262E-16 GRAD(Rho)x 0.2164841E-16 GRAD(Rho)y -0.4904835E-16 GRAD(Rho)z -0.7551799E-17 Laplacian 0.1066251E+00 (-1/4)Del**2(Rho)) -0.2665627E-01 Diamond 0.1519150E-01 Metallicity 0.1594857E+01 Ellipticity -0.3426057E+01 Gb(Abramov) 0.2485634E-01 Vb(Abramov) -0.2305640E-01 Hb(Abramov) 0.1799935E-02 Ex_ueg -0.6056560E-02 Ec_ueg -0.1202697E-02 Delta_ex -0.6736862E-02 Delta_ec 0.1720887E-02 Delta_et -0.1552686E-01 Pxc 0.5035813E+01 Qxc -0.3914761E+01 3,+1 77 3 +1 1.652485 -0.727615 0.075091 Rho 0.5567083E-02 |GRAD(Rho)| 0.2081826E-14 GRAD(Rho)x -0.5220279E-15 GRAD(Rho)y -0.1386375E-15 GRAD(Rho)z 0.2010538E-14 Laplacian 0.2138110E-01 (-1/4)Del**2(Rho)) -0.5345274E-02 Diamond 0.3405051E-03 Metallicity 0.5635892E+00 Ellipticity -0.1372504E+01 Gb(Abramov) 0.4065606E-02 Vb(Abramov) -0.2785938E-02 Hb(Abramov) 0.1279668E-02 Ex_ueg -0.7287110E-03 Ec_ueg -0.1713977E-03 Delta_ex -0.8959188E-03 Delta_ec 0.3348063E-03 Delta_et -0.2012850E-02 Pxc 0.4251579E+01 Qxc -0.2675932E+01 3,+1 78 3 +1 0.470190 -1.710276 0.018589 Rho 0.9584771E-02 |GRAD(Rho)| 0.7610002E-17 GRAD(Rho)x 0.1187090E-17 GRAD(Rho)y -0.6138726E-17 GRAD(Rho)z 0.4338087E-17 Laplacian 0.3860443E-01 (-1/4)Del**2(Rho)) -0.9651107E-02 Diamond 0.1139704E-02 Metallicity 0.7719910E+00 Ellipticity -0.1397441E+01 Gb(Abramov) 0.7675833E-02 Vb(Abramov) -0.5700558E-02 Hb(Abramov) 0.1975275E-02 Ex_ueg -0.1503698E-02 Ec_ueg -0.3492541E-03 Delta_ex -0.1790286E-02 Delta_ec 0.5028223E-03 Delta_et -0.3565207E-02 Pxc 0.4305457E+01 Qxc -0.3560474E+01 3,+1 79 3 -1 -0.244257 2.286564 -0.833649 Rho 0.4517332E-01 |GRAD(Rho)| 0.9912630E-16 GRAD(Rho)x -0.1567869E-16 GRAD(Rho)y -0.7722526E-16 GRAD(Rho)z 0.6013701E-16 Laplacian 0.1755887E+00 (-1/4)Del**2(Rho)) -0.4389718E-01 Diamond 0.7858755E-01 Metallicity 0.2248639E+01 Ellipticity 0.8975063E-02 Gb(Abramov) 0.4571628E-01 Vb(Abramov) -0.4753537E-01 Hb(Abramov) -0.1819095E-02 Ex_ueg -0.1188213E-01 Ec_ueg -0.2149863E-02 Delta_ex -0.1414160E-01 Delta_ec 0.5328355E-02 Delta_et -0.5472403E-01 Pxc 0.5526926E+01 Qxc -0.2654027E+01 3,-1 80 3 +1 0.082609 0.884454 1.571724 Rho 0.8351112E-02 |GRAD(Rho)| 0.1917432E-16 GRAD(Rho)x -0.2667847E-17 GRAD(Rho)y 0.1638784E-16 GRAD(Rho)z -0.9590415E-17 Laplacian 0.3306795E-01 (-1/4)Del**2(Rho)) -0.8266988E-02 Diamond 0.8111708E-03 Metallicity 0.7163299E+00 Ellipticity -0.1367468E+01 Gb(Abramov) 0.6498307E-02 Vb(Abramov) -0.4729626E-02 Hb(Abramov) 0.1768681E-02 Ex_ueg -0.1251346E-02 Ec_ueg -0.2938580E-03 Delta_ex -0.1481197E-02 Delta_ec 0.4326443E-03 Delta_et -0.2961620E-02 Pxc 0.4258337E+01 Qxc -0.3423592E+01 3,+1 81 3 -1 -1.341655 2.604302 1.788803 Rho 0.1412912E+00 |GRAD(Rho)| 0.3228007E-09 GRAD(Rho)x -0.2805133E-09 GRAD(Rho)y -0.1593710E-09 GRAD(Rho)z 0.1065377E-10 Laplacian 0.5366463E+00 (-1/4)Del**2(Rho)) -0.1341616E+00 Diamond 0.1028434E+01 Metallicity 0.4921719E+01 Ellipticity 0.1137250E+00 Gb(Abramov) 0.1994920E+00 Vb(Abramov) -0.2648224E+00 Hb(Abramov) -0.6533039E-01 Ex_ueg -0.5435070E-01 Ec_ueg -0.7888376E-02 Delta_ex -0.5696891E-01 Delta_ec 0.1413219E-01 Delta_et -0.1871758E+00 Pxc 0.6889973E+01 Qxc -0.4031145E+01 3,-1 82 3 +3 0.494665 3.246627 0.014808 Rho 0.1194432E-01 |GRAD(Rho)| 0.1667011E-16 GRAD(Rho)x -0.6597489E-17 GRAD(Rho)y 0.1281119E-17 GRAD(Rho)z -0.1525531E-16 Laplacian 0.5449661E-01 (-1/4)Del**2(Rho)) -0.1362415E-01 Diamond 0.1345685E-02 Metallicity 0.7891861E+00 Ellipticity -0.8380285E+00 Gb(Abramov) 0.1087477E-01 Vb(Abramov) -0.8125381E-02 Hb(Abramov) 0.2749385E-02 Ex_ueg -0.2016510E-02 Ec_ueg -0.4569992E-03 Delta_ex -0.2435832E-02 Delta_ec 0.2795220E-03 Delta_et -0.2423164E-02 Pxc 0.4412501E+01 Qxc -0.8714277E+01 3,+3 83 3 -1 -0.501284 -3.139955 1.745945 Rho 0.2304307E+00 |GRAD(Rho)| 0.9945088E-16 GRAD(Rho)x -0.9660241E-16 GRAD(Rho)y 0.1963761E-16 GRAD(Rho)z 0.1314595E-16 Laplacian 0.8897644E+00 (-1/4)Del**2(Rho)) -0.2224411E+00 Diamond 0.2966060E+01 Metallicity 0.6707676E+01 Ellipticity 0.9742974E-02 Gb(Abramov) 0.3969712E+00 Vb(Abramov) -0.5715014E+00 Hb(Abramov) -0.1745301E+00 Ex_ueg -0.1043371E+00 Ec_ueg -0.1378013E-01 Delta_ex -0.1061970E+00 Delta_ec 0.1958683E-01 Delta_et -0.2695976E+00 Pxc 0.7571566E+01 Qxc -0.5421858E+01 3,-1 84 3 +1 0.314752 -1.352153 2.484727 Rho 0.3101737E-01 |GRAD(Rho)| 0.3878961E-16 GRAD(Rho)x 0.4164379E-17 GRAD(Rho)y 0.7448697E-17 GRAD(Rho)z -0.3783925E-16 Laplacian 0.1267020E+00 (-1/4)Del**2(Rho)) -0.3167551E-01 Diamond 0.2336919E-01 Metallicity 0.1665346E+01 Ellipticity -0.7467765E+01 Gb(Abramov) 0.2990879E-01 Vb(Abramov) -0.2814207E-01 Hb(Abramov) 0.1766720E-02 Ex_ueg -0.7197667E-02 Ec_ueg -0.1396203E-02 Delta_ex -0.8437423E-02 Delta_ec 0.2304829E-02 Delta_et -0.2141669E-01 Pxc 0.5155172E+01 Qxc -0.3660758E+01 3,+1 85 3 -1 1.448055 1.552333 2.024081 Rho 0.5673705E-02 |GRAD(Rho)| 0.5850921E-17 GRAD(Rho)x -0.5599809E-17 GRAD(Rho)y 0.1182511E-17 GRAD(Rho)z 0.1215349E-17 Laplacian 0.2320147E-01 (-1/4)Del**2(Rho)) -0.5800367E-02 Diamond 0.7144801E-03 Metallicity 0.5360546E+00 Ellipticity 0.1625583E+02 Gb(Abramov) 0.4385130E-02 Vb(Abramov) -0.2969893E-02 Hb(Abramov) 0.1415237E-02 Ex_ueg -0.7473788E-03 Ec_ueg -0.1760193E-03 Delta_ex -0.1239707E-02 Delta_ec 0.8330783E-03 Delta_et -0.4658360E-02 Pxc 0.4246004E+01 Qxc -0.1488103E+01 3,-1 86 3 +1 0.333882 -1.315469 -2.465911 Rho 0.2926879E-01 |GRAD(Rho)| 0.3104933E-16 GRAD(Rho)x 0.2532410E-17 GRAD(Rho)y -0.1039411E-16 GRAD(Rho)z 0.2914807E-16 Laplacian 0.1175351E+00 (-1/4)Del**2(Rho)) -0.2938377E-01 Diamond 0.1997786E-01 Metallicity 0.1629747E+01 Ellipticity -0.6395746E+01 Gb(Abramov) 0.2757053E-01 Vb(Abramov) -0.2575729E-01 Hb(Abramov) 0.1813240E-02 Ex_ueg -0.6661796E-02 Ec_ueg -0.1305952E-02 Delta_ex -0.7703246E-02 Delta_ec 0.2132342E-02 Delta_et -0.1953721E-01 Pxc 0.5101102E+01 Qxc -0.3612575E+01 3,+1 87 3 -1 -0.245636 2.362972 -2.354341 Rho 0.1243534E+00 |GRAD(Rho)| 0.9775056E-13 GRAD(Rho)x -0.3386442E-13 GRAD(Rho)y 0.7095457E-13 GRAD(Rho)z 0.5808461E-13 Laplacian 0.5057226E+00 (-1/4)Del**2(Rho)) -0.1264307E+00 Diamond 0.8137405E+00 Metallicity 0.4221466E+01 Ellipticity 0.1047826E-01 Gb(Abramov) 0.1732409E+00 Vb(Abramov) -0.2200511E+00 Hb(Abramov) -0.4681024E-01 Ex_ueg -0.4584181E-01 Ec_ueg -0.6822592E-02 Delta_ex -0.5183729E-01 Delta_ec 0.1332687E-01 Delta_et -0.1721687E+00 Pxc 0.6719119E+01 Qxc -0.3889682E+01 3,-1 88 3 -1 -0.146351 2.306262 0.866520 Rho 0.4866866E-01 |GRAD(Rho)| 0.2711110E-12 GRAD(Rho)x -0.1628255E-12 GRAD(Rho)y -0.1871695E-12 GRAD(Rho)z -0.1093462E-12 Laplacian 0.1864131E+00 (-1/4)Del**2(Rho)) -0.4660327E-01 Diamond 0.8936511E-01 Metallicity 0.2398202E+01 Ellipticity 0.1780683E-01 Gb(Abramov) 0.4969619E-01 Vb(Abramov) -0.5278911E-01 Hb(Abramov) -0.3092921E-02 Ex_ueg -0.1312354E-01 Ec_ueg -0.2341416E-02 Delta_ex -0.1516308E-01 Delta_ec 0.5417595E-02 Delta_et -0.5668937E-01 Pxc 0.5604959E+01 Qxc -0.2798858E+01 3,-1 89 3 -1 -0.145795 2.356851 2.387385 Rho 0.1410300E+00 |GRAD(Rho)| 0.9246122E-13 GRAD(Rho)x -0.6087347E-13 GRAD(Rho)y -0.5219347E-13 GRAD(Rho)z 0.4603629E-13 Laplacian 0.5860813E+00 (-1/4)Del**2(Rho)) -0.1465203E+00 Diamond 0.1102549E+01 Metallicity 0.4492703E+01 Ellipticity 0.1437795E-01 Gb(Abramov) 0.2073923E+00 Vb(Abramov) -0.2682642E+00 Hb(Abramov) -0.6087196E-01 Ex_ueg -0.5421678E-01 Ec_ueg -0.7871800E-02 Delta_ex -0.6199281E-01 Delta_ec 0.1509088E-01 Delta_et -0.1990950E+00 Pxc 0.6887469E+01 Qxc -0.4107966E+01 3,-1 90 3 +1 1.464194 -1.576415 -1.736082 Rho 0.2512643E-01 |GRAD(Rho)| 0.1133306E-16 GRAD(Rho)x 0.1720857E-17 GRAD(Rho)y 0.1347243E-17 GRAD(Rho)z -0.1112033E-16 Laplacian 0.9963216E-01 (-1/4)Del**2(Rho)) -0.2490804E-01 Diamond 0.1436937E-01 Metallicity 0.1490842E+01 Ellipticity -0.7340468E+01 Gb(Abramov) 0.2279435E-01 Vb(Abramov) -0.2068066E-01 Hb(Abramov) 0.2113689E-02 Ex_ueg -0.5435332E-02 Ec_ueg -0.1095082E-02 Delta_ex -0.6339544E-02 Delta_ec 0.1931012E-02 Delta_et -0.1701156E-01 Pxc 0.4963403E+01 Qxc -0.3283016E+01 3,+1 91 3 -1 0.446203 -1.864577 1.606677 Rho 0.5727900E-01 |GRAD(Rho)| 0.3112045E-14 GRAD(Rho)x -0.3812122E-15 GRAD(Rho)y -0.8542505E-15 GRAD(Rho)z -0.2968124E-14 Laplacian 0.2199211E+00 (-1/4)Del**2(Rho)) -0.5498028E-01 Diamond 0.1331139E+00 Metallicity 0.2666891E+01 Ellipticity 0.1890169E-01 Gb(Abramov) 0.6109125E-01 Vb(Abramov) -0.6720223E-01 Hb(Abramov) -0.6110978E-02 Ex_ueg -0.1630718E-01 Ec_ueg -0.2821013E-02 Delta_ex -0.1869986E-01 Delta_ec 0.6482164E-02 Delta_et -0.7076821E-01 Pxc 0.5780613E+01 Qxc -0.2884818E+01 3,-1 92 3 -1 0.051141 -0.417231 0.681092 Rho 0.1614724E+00 |GRAD(Rho)| 0.2725828E-12 GRAD(Rho)x -0.2536270E-12 GRAD(Rho)y 0.1261664E-13 GRAD(Rho)z -0.9907353E-13 Laplacian 0.3854528E+00 (-1/4)Del**2(Rho)) -0.9636321E-01 Diamond 0.8725352E+00 Metallicity 0.8559977E+01 Ellipticity 0.3788447E-02 Gb(Abramov) 0.2017199E+00 Vb(Abramov) -0.3070767E+00 Hb(Abramov) -0.1053567E+00 Ex_ueg -0.6494059E-01 Ec_ueg -0.9181915E-02 Delta_ex -0.4232713E-01 Delta_ec 0.9908731E-02 Delta_et -0.1339910E+00 Pxc 0.7072664E+01 Qxc -0.4271700E+01 3,-1 93 3 -1 0.212242 -0.435283 2.469549 Rho 0.5097719E-01 |GRAD(Rho)| 0.1196571E-15 GRAD(Rho)x -0.6925892E-16 GRAD(Rho)y -0.9077080E-16 GRAD(Rho)z 0.3580069E-16 Laplacian 0.1957973E+00 (-1/4)Del**2(Rho)) -0.4894931E-01 Diamond 0.1006491E+00 Metallicity 0.2466605E+01 Ellipticity 0.1677263E-01 Gb(Abramov) 0.5275598E-01 Vb(Abramov) -0.5656265E-01 Hb(Abramov) -0.3806668E-02 Ex_ueg -0.1396003E-01 Ec_ueg -0.2468960E-02 Delta_ex -0.1614275E-01 Delta_ec 0.5739231E-02 Delta_et -0.6079690E-01 Pxc 0.5654213E+01 Qxc -0.2812703E+01 3,-1 94 3 -1 -0.040081 0.012450 4.567556 Rho 0.2290362E+00 |GRAD(Rho)| 0.6846419E-15 GRAD(Rho)x 0.2864242E-17 GRAD(Rho)y 0.1070379E-15 GRAD(Rho)z 0.6762169E-15 Laplacian 0.8537072E+00 (-1/4)Del**2(Rho)) -0.2134268E+00 Diamond 0.2847495E+01 Metallicity 0.6920611E+01 Ellipticity 0.1383193E-01 Gb(Abramov) 0.3884585E+00 Vb(Abramov) -0.5634902E+00 Hb(Abramov) -0.1750317E+00 Ex_ueg -0.1034961E+00 Ec_ueg -0.1368451E-01 Delta_ex -0.1018590E+00 Delta_ec 0.1905253E-01 Delta_et -0.2631361E+00 Pxc 0.7563009E+01 Qxc -0.5346218E+01 3,-1 95 3 -1 0.102157 0.074562 -4.580038 Rho 0.2351687E+00 |GRAD(Rho)| 0.7117893E-15 GRAD(Rho)x 0.2843320E-16 GRAD(Rho)y -0.3251251E-16 GRAD(Rho)z -0.7104777E-15 Laplacian 0.8686510E+00 (-1/4)Del**2(Rho)) -0.2171628E+00 Diamond 0.2991786E+01 Metallicity 0.7107773E+01 Ellipticity 0.3202930E-02 Gb(Abramov) 0.4020324E+00 Vb(Abramov) -0.5869021E+00 Hb(Abramov) -0.1848697E+00 Ex_ueg -0.1072073E+00 Ec_ueg -0.1410578E-01 Delta_ex -0.1043620E+00 Delta_ec 0.1924509E-01 Delta_et -0.2661224E+00 Pxc 0.7600240E+01 Qxc -0.5422784E+01 3,-1 96 3 -1 0.343872 -0.397998 -2.459496 Rho 0.4610971E-01 |GRAD(Rho)| 0.6223206E-14 GRAD(Rho)x -0.5469451E-14 GRAD(Rho)y 0.1188892E-14 GRAD(Rho)z -0.2720281E-14 Laplacian 0.1760890E+00 (-1/4)Del**2(Rho)) -0.4402226E-01 Diamond 0.7806221E-01 Metallicity 0.2320250E+01 Ellipticity 0.2121425E-01 Gb(Abramov) 0.4637195E-01 Vb(Abramov) -0.4872164E-01 Hb(Abramov) -0.2349690E-02 Ex_ueg -0.1221167E-01 Ec_ueg -0.2200989E-02 Delta_ex -0.1411160E-01 Delta_ec 0.5087473E-02 Delta_et -0.5248130E-01 Pxc 0.5548263E+01 Qxc -0.2773793E+01 3,-1 97 3 +3 1.100318 1.076871 -1.582139 Rho 0.4244216E-02 |GRAD(Rho)| 0.1988882E-15 GRAD(Rho)x -0.5012547E-17 GRAD(Rho)y 0.1169113E-15 GRAD(Rho)z 0.1608203E-15 Laplacian 0.1728585E-01 (-1/4)Del**2(Rho)) -0.4321463E-02 Diamond 0.1186384E-03 Metallicity 0.4435251E+00 Ellipticity -0.2443991E+00 Gb(Abramov) 0.3200422E-02 Vb(Abramov) -0.2079380E-02 Hb(Abramov) 0.1121042E-02 Ex_ueg -0.5075145E-03 Ec_ueg -0.1145348E-03 Delta_ex -0.5964018E-03 Delta_ec 0.1218629E-03 Delta_et -0.8033065E-03 Pxc 0.4431096E+01 Qxc -0.4894040E+01 3,+3 98 3 -1 0.129046 0.898676 -3.264053 Rho 0.1403528E+00 |GRAD(Rho)| 0.1907661E-12 GRAD(Rho)x 0.1607431E-12 GRAD(Rho)y 0.1027263E-12 GRAD(Rho)z 0.8187827E-15 Laplacian 0.5804468E+00 (-1/4)Del**2(Rho)) -0.1451117E+00 Diamond 0.1083176E+01 Metallicity 0.4500067E+01 Ellipticity 0.1344706E-01 Gb(Abramov) 0.2055765E+00 Vb(Abramov) -0.2660414E+00 Hb(Abramov) -0.6046483E-01 Ex_ueg -0.5386992E-01 Ec_ueg -0.7828841E-02 Delta_ex -0.6129786E-01 Delta_ec 0.1491521E-01 Delta_et -0.1965349E+00 Pxc 0.6880957E+01 Qxc -0.4109753E+01 3,-1 99 3 -1 -0.105136 0.715924 0.011610 Rho 0.1631642E+00 |GRAD(Rho)| 0.2326541E-15 GRAD(Rho)x 0.9540979E-17 GRAD(Rho)y 0.2324529E-15 GRAD(Rho)z -0.1585646E-17 Laplacian 0.3921918E+00 (-1/4)Del**2(Rho)) -0.9804794E-01 Diamond 0.8993235E+00 Metallicity 0.8560309E+01 Ellipticity 0.5986267E-02 Gb(Abramov) 0.2052521E+00 Vb(Abramov) -0.3124562E+00 Hb(Abramov) -0.1072041E+00 Ex_ueg -0.6584935E-01 Ec_ueg -0.9291469E-02 Delta_ex -0.4318120E-01 Delta_ec 0.1006125E-01 Delta_et -0.1362569E+00 Pxc 0.7087076E+01 Qxc -0.4291832E+01 3,-1 100 3 -1 0.046271 0.848343 3.262129 Rho 0.1340941E+00 |GRAD(Rho)| 0.7833322E-14 GRAD(Rho)x 0.7049476E-14 GRAD(Rho)y -0.3277204E-14 GRAD(Rho)z 0.9621617E-15 Laplacian 0.5516959E+00 (-1/4)Del**2(Rho)) -0.1379240E+00 Diamond 0.9843772E+00 Metallicity 0.4387960E+01 Ellipticity 0.1071949E-01 Gb(Abramov) 0.1928168E+00 Vb(Abramov) -0.2477096E+00 Hb(Abramov) -0.5489281E-01 Ex_ueg -0.5069103E-01 Ec_ueg -0.7433217E-02 Delta_ex -0.5773205E-01 Delta_ec 0.1453573E-01 Delta_et -0.1905967E+00 Pxc 0.6819527E+01 Qxc -0.3971733E+01 3,-1 101 3 +1 1.442698 1.579398 2.007825 Rho 0.5673589E-02 |GRAD(Rho)| 0.1748303E-15 GRAD(Rho)x -0.5536753E-16 GRAD(Rho)y 0.1355103E-15 GRAD(Rho)z -0.9558781E-16 Laplacian 0.2331779E-01 (-1/4)Del**2(Rho)) -0.5829448E-02 Diamond 0.6975927E-03 Metallicity 0.5333621E+00 Ellipticity -0.1663359E+02 Gb(Abramov) 0.4404500E-02 Vb(Abramov) -0.2979551E-02 Hb(Abramov) 0.1424948E-02 Ex_ueg -0.7473583E-03 Ec_ueg -0.1760143E-03 Delta_ex -0.1229873E-02 Delta_ec 0.8086098E-03 Delta_et -0.4531504E-02 Pxc 0.4246010E+01 Qxc -0.1520972E+01 3,+1 102 3 -1 0.336448 -2.494460 2.759732 Rho 0.1297711E+00 |GRAD(Rho)| 0.1228244E-15 GRAD(Rho)x -0.4657665E-16 GRAD(Rho)y -0.1118422E-15 GRAD(Rho)z -0.2019327E-16 Laplacian 0.4968594E+00 (-1/4)Del**2(Rho)) -0.1242149E+00 Diamond 0.8574728E+00 Metallicity 0.4613276E+01 Ellipticity 0.3634444E-01 Gb(Abramov) 0.1783161E+00 Vb(Abramov) -0.2324174E+00 Hb(Abramov) -0.5410129E-01 Ex_ueg -0.4852389E-01 Ec_ueg -0.7161439E-02 Delta_ex -0.5164708E-01 Delta_ec 0.1330518E-01 Delta_et -0.1737413E+00 Pxc 0.6775717E+01 Qxc -0.3881727E+01 3,-1 103 3 -1 0.276437 -2.452210 -2.764515 Rho 0.1219051E+00 |GRAD(Rho)| 0.1014347E-15 GRAD(Rho)x -0.8514883E-16 GRAD(Rho)y 0.3754728E-16 GRAD(Rho)z 0.4035943E-16 Laplacian 0.4674350E+00 (-1/4)Del**2(Rho)) -0.1168587E+00 Diamond 0.7483640E+00 Metallicity 0.4418364E+01 Ellipticity 0.2864015E-01 Gb(Abramov) 0.1639599E+00 Vb(Abramov) -0.2110611E+00 Hb(Abramov) -0.4710117E-01 Ex_ueg -0.4464238E-01 Ec_ueg -0.6670118E-02 Delta_ex -0.4786875E-01 Delta_ec 0.1270408E-01 Delta_et -0.1641303E+00 Pxc 0.6692893E+01 Qxc -0.3767983E+01 3,-1 104 3 -1 0.460033 -1.844904 -1.590104 Rho 0.5631149E-01 |GRAD(Rho)| 0.1018108E-13 GRAD(Rho)x -0.5927916E-14 GRAD(Rho)y 0.7482144E-14 GRAD(Rho)z 0.3540015E-14 Laplacian 0.2141621E+00 (-1/4)Del**2(Rho)) -0.5354052E-01 Diamond 0.1266511E+00 Metallicity 0.2661944E+01 Ellipticity 0.1839544E-01 Gb(Abramov) 0.5944733E-01 Vb(Abramov) -0.6535414E-01 Hb(Abramov) -0.5906808E-02 Ex_ueg -0.1594096E-01 Ec_ueg -0.2766610E-02 Delta_ex -0.1813103E-01 Delta_ec 0.6312660E-02 Delta_et -0.6861895E-01 Pxc 0.5761911E+01 Qxc -0.2872169E+01 3,-1 105 3 +3 1.654351 -1.569069 0.079564 Rho 0.3812410E-02 |GRAD(Rho)| 0.2627217E-17 GRAD(Rho)x 0.2514075E-17 GRAD(Rho)y -0.1028468E-18 GRAD(Rho)z 0.7557242E-18 Laplacian 0.1563216E-01 (-1/4)Del**2(Rho)) -0.3908040E-02 Diamond 0.1106130E-03 Metallicity 0.4101350E+00 Ellipticity -0.2547431E+00 Gb(Abramov) 0.2872498E-02 Vb(Abramov) -0.1836955E-02 Hb(Abramov) 0.1035543E-02 Ex_ueg -0.4398634E-03 Ec_ueg -0.9616950E-04 Delta_ex -0.5482473E-03 Delta_ec 0.1527473E-03 Delta_et -0.9046494E-03 Pxc 0.4573835E+01 Qxc -0.3589245E+01 3,+3 106 3 -1 1.485449 1.456535 -2.145613 Rho 0.5800589E-02 |GRAD(Rho)| 0.4532697E-17 GRAD(Rho)x 0.2790057E-17 GRAD(Rho)y -0.1034740E-17 GRAD(Rho)z 0.3419099E-17 Laplacian 0.2346274E-01 (-1/4)Del**2(Rho)) -0.5865685E-02 Diamond 0.7771548E-03 Metallicity 0.5499897E+00 Ellipticity 0.3353984E+01 Gb(Abramov) 0.4448134E-02 Vb(Abramov) -0.3030584E-02 Hb(Abramov) 0.1417551E-02 Ex_ueg -0.7697467E-03 Ec_ueg -0.1815264E-03 Delta_ex -0.1283890E-02 Delta_ec 0.8871022E-03 Delta_et -0.4978318E-02 Pxc 0.4240411E+01 Qxc -0.1447286E+01 3,-1 107 3 +1 0.935115 2.470904 0.566125 Rho 0.2511408E-01 |GRAD(Rho)| 0.2015204E-16 GRAD(Rho)x -0.1166238E-16 GRAD(Rho)y 0.1590009E-16 GRAD(Rho)z 0.4157004E-17 Laplacian 0.9513090E-01 (-1/4)Del**2(Rho)) -0.2378273E-01 Diamond 0.1179209E-01 Metallicity 0.1560104E+01 Ellipticity -0.3128290E+01 Gb(Abramov) 0.2203907E-01 Vb(Abramov) -0.2029542E-01 Hb(Abramov) 0.1743654E-02 Ex_ueg -0.5431770E-02 Ec_ueg -0.1094459E-02 Delta_ex -0.5845219E-02 Delta_ec 0.1473952E-02 Delta_et -0.1305744E-01 Pxc 0.4962970E+01 Qxc -0.3965679E+01 3,+1 108 3 -1 0.699772 -3.886862 2.211185 Rho 0.2266393E+00 |GRAD(Rho)| 0.3443497E-14 GRAD(Rho)x -0.2004256E-14 GRAD(Rho)y -0.2770462E-14 GRAD(Rho)z 0.4064132E-15 Laplacian 0.8473340E+00 (-1/4)Del**2(Rho)) -0.2118335E+00 Diamond 0.2790875E+01 Metallicity 0.6851472E+01 Ellipticity 0.2092859E-01 Gb(Abramov) 0.3831176E+00 Vb(Abramov) -0.5544016E+00 Hb(Abramov) -0.1712841E+00 Ex_ueg -0.1020545E+00 Ec_ueg -0.1352042E-01 Delta_ex -0.1008237E+00 Delta_ec 0.1896997E-01 Delta_et -0.2618762E+00 Pxc 0.7548174E+01 Qxc -0.5314914E+01 3,-1 109 3 -1 0.612208 -3.868950 -2.235227 Rho 0.2268348E+00 |GRAD(Rho)| 0.4702403E-08 GRAD(Rho)x 0.1090689E-08 GRAD(Rho)y -0.4212886E-08 GRAD(Rho)z -0.1781735E-08 Laplacian 0.8467475E+00 (-1/4)Del**2(Rho)) -0.2116869E+00 Diamond 0.2792410E+01 Metallicity 0.6866075E+01 Ellipticity 0.2109843E-01 Gb(Abramov) 0.3833676E+00 Vb(Abramov) -0.5550483E+00 Hb(Abramov) -0.1716807E+00 Ex_ueg -0.1021718E+00 Ec_ueg -0.1353379E-01 Delta_ex -0.1007798E+00 Delta_ec 0.1895798E-01 Delta_et -0.2617456E+00 Pxc 0.7549390E+01 Qxc -0.5315957E+01 3,-1 110 3 -1 0.647839 -3.116482 -0.882952 Rho 0.1412364E+00 |GRAD(Rho)| 0.2240668E-14 GRAD(Rho)x 0.2406522E-15 GRAD(Rho)y 0.1179476E-14 GRAD(Rho)z -0.1889846E-14 Laplacian 0.5823707E+00 (-1/4)Del**2(Rho)) -0.1455927E+00 Diamond 0.1104088E+01 Metallicity 0.4532364E+01 Ellipticity 0.3881242E-02 Gb(Abramov) 0.2070416E+00 Vb(Abramov) -0.2684906E+00 Hb(Abramov) -0.6144894E-01 Ex_ueg -0.5432261E-01 Ec_ueg -0.7884900E-02 Delta_ex -0.6169346E-01 Delta_ec 0.1511704E-01 Delta_et -0.1997521E+00 Pxc 0.6889448E+01 Qxc -0.4081055E+01 3,-1 111 3 +1 2.099082 -2.054068 0.132369 Rho 0.4535239E-02 |GRAD(Rho)| 0.3055363E-14 GRAD(Rho)x 0.5667486E-15 GRAD(Rho)y -0.5505090E-16 GRAD(Rho)z 0.3001834E-14 Laplacian 0.1833337E-01 (-1/4)Del**2(Rho)) -0.4583342E-02 Diamond 0.3841119E-03 Metallicity 0.4670585E+00 Ellipticity -0.2950159E+01 Gb(Abramov) 0.3412343E-02 Vb(Abramov) -0.2241343E-02 Hb(Abramov) 0.1170999E-02 Ex_ueg -0.5544368E-03 Ec_ueg -0.1269674E-03 Delta_ex -0.9042807E-03 Delta_ec 0.5945056E-03 Delta_et -0.3128328E-02 Pxc 0.4366764E+01 Qxc -0.1521063E+01 3,+1 112 3 -1 1.175051 -0.066271 -3.526200 Rho 0.1516420E+00 |GRAD(Rho)| 0.6554336E-16 GRAD(Rho)x 0.2290377E-16 GRAD(Rho)y -0.4577366E-17 GRAD(Rho)z -0.6124048E-16 Laplacian 0.6115082E+00 (-1/4)Del**2(Rho)) -0.1528770E+00 Diamond 0.1252612E+01 Metallicity 0.4859332E+01 Ellipticity 0.5024067E-01 Gb(Abramov) 0.2257314E+00 Vb(Abramov) -0.2985858E+00 Hb(Abramov) -0.7285436E-01 Ex_ueg -0.5972336E-01 Ec_ueg -0.8548706E-02 Delta_ex -0.6581766E-01 Delta_ec 0.1542223E-01 Delta_et -0.2054895E+00 Pxc 0.6986246E+01 Qxc -0.4267714E+01 3,-1 113 3 +1 1.514305 1.328248 -2.227696 Rho 0.5786560E-02 |GRAD(Rho)| 0.3125725E-13 GRAD(Rho)x 0.2204876E-13 GRAD(Rho)y -0.2190306E-13 GRAD(Rho)z 0.3335203E-14 Laplacian 0.2392768E-01 (-1/4)Del**2(Rho)) -0.5981920E-02 Diamond 0.6877585E-03 Metallicity 0.5371308E+00 Ellipticity -0.3748579E+01 Gb(Abramov) 0.4523459E-02 Vb(Abramov) -0.3064998E-02 Hb(Abramov) 0.1458461E-02 Ex_ueg -0.7672656E-03 Ec_ueg -0.1809172E-03 Delta_ex -0.1230629E-02 Delta_ec 0.7652074E-03 Delta_et -0.4337167E-02 Pxc 0.4240977E+01 Qxc -0.1608229E+01 3,+1 114 3 +3 1.105212 1.018944 1.604989 Rho 0.4297549E-02 |GRAD(Rho)| 0.3060675E-17 GRAD(Rho)x -0.3687159E-18 GRAD(Rho)y -0.2381277E-17 GRAD(Rho)z -0.1887140E-17 Laplacian 0.1760406E-01 (-1/4)Del**2(Rho)) -0.4401014E-02 Diamond 0.1279204E-03 Metallicity 0.4446673E+00 Ellipticity -0.3124900E+00 Gb(Abramov) 0.3260174E-02 Vb(Abramov) -0.2119334E-02 Hb(Abramov) 0.1140840E-02 Ex_ueg -0.5160354E-03 Ec_ueg -0.1168099E-03 Delta_ex -0.6150921E-03 Delta_ec 0.1343089E-03 Delta_et -0.8691160E-03 Pxc 0.4417739E+01 Qxc -0.4579682E+01 3,+3 115 3 -1 1.071001 -0.095516 3.533602 Rho 0.8919166E-01 |GRAD(Rho)| 0.1989469E-13 GRAD(Rho)x 0.1982597E-13 GRAD(Rho)y 0.4051167E-15 GRAD(Rho)z -0.1601647E-14 Laplacian 0.3576656E+00 (-1/4)Del**2(Rho)) -0.8941641E-01 Diamond 0.3849964E+00 Metallicity 0.3430386E+01 Ellipticity 0.5085687E-02 Gb(Abramov) 0.1107331E+00 Vb(Abramov) -0.1320497E+00 Hb(Abramov) -0.2131667E-01 Ex_ueg -0.2943184E-01 Ec_ueg -0.4675113E-02 Delta_ex -0.3389756E-01 Delta_ec 0.1013680E-01 Delta_et -0.1229089E+00 Pxc 0.6295428E+01 Qxc -0.3344009E+01 3,-1 116 3 +1 1.520537 1.245860 2.228072 Rho 0.5568233E-02 |GRAD(Rho)| 0.1415067E-15 GRAD(Rho)x 0.9149926E-17 GRAD(Rho)y -0.1339430E-15 GRAD(Rho)z 0.4471796E-16 Laplacian 0.2321235E-01 (-1/4)Del**2(Rho)) -0.5803088E-02 Diamond 0.5824943E-03 Metallicity 0.5193056E+00 Ellipticity -0.2263889E+01 Gb(Abramov) 0.4370988E-02 Vb(Abramov) -0.2938888E-02 Hb(Abramov) 0.1432100E-02 Ex_ueg -0.7289117E-03 Ec_ueg -0.1714476E-03 Delta_ex -0.1143818E-02 Delta_ec 0.6689969E-03 Delta_et -0.3777153E-02 Pxc 0.4251514E+01 Qxc -0.1709751E+01 3,+1 117 3 +3 1.360761 -1.350561 -2.707482 Rho 0.1193144E-01 |GRAD(Rho)| 0.1256450E-16 GRAD(Rho)x -0.8655840E-18 GRAD(Rho)y -0.1217219E-16 GRAD(Rho)z 0.2992544E-17 Laplacian 0.5456021E-01 (-1/4)Del**2(Rho)) -0.1364005E-01 Diamond 0.1307141E-02 Metallicity 0.7868494E+00 Ellipticity -0.7894525E+00 Gb(Abramov) 0.1088215E-01 Vb(Abramov) -0.8124240E-02 Hb(Abramov) 0.2757906E-02 Ex_ueg -0.2013610E-02 Ec_ueg -0.4564047E-03 Delta_ex -0.2426821E-02 Delta_ec 0.2600457E-03 Delta_et -0.2292613E-02 Pxc 0.4411895E+01 Qxc -0.9332286E+01 3,+3 118 3 +1 0.521112 3.397995 0.020918 Rho 0.1198819E-01 |GRAD(Rho)| 0.1136293E-16 GRAD(Rho)x -0.4639500E-17 GRAD(Rho)y -0.9151413E-17 GRAD(Rho)z 0.4882916E-17 Laplacian 0.5536893E-01 (-1/4)Del**2(Rho)) -0.1384223E-01 Diamond 0.1735193E-02 Metallicity 0.7815134E+00 Ellipticity -0.1112143E+01 Gb(Abramov) 0.1103114E-01 Vb(Abramov) -0.8220041E-02 Hb(Abramov) 0.2811096E-02 Ex_ueg -0.2026391E-02 Ec_ueg -0.4590239E-03 Delta_ex -0.2581897E-02 Delta_ec 0.4704748E-03 Delta_et -0.3717772E-02 Pxc 0.4414566E+01 Qxc -0.5487855E+01 3,+1 119 3 +3 1.379169 -1.336470 2.697181 Rho 0.1142916E-01 |GRAD(Rho)| 0.1652963E-16 GRAD(Rho)x -0.1245940E-16 GRAD(Rho)y 0.5914938E-17 GRAD(Rho)z 0.9110737E-17 Laplacian 0.5168162E-01 (-1/4)Del**2(Rho)) -0.1292040E-01 Diamond 0.1137659E-02 Metallicity 0.7732159E+00 Ellipticity -0.7269521E+00 Gb(Abramov) 0.1027865E-01 Vb(Abramov) -0.7636889E-02 Hb(Abramov) 0.2641758E-02 Ex_ueg -0.1901388E-02 Ec_ueg -0.4332815E-03 Delta_ex -0.2261476E-02 Delta_ec 0.2306977E-03 Delta_et -0.2056065E-02 Pxc 0.4388343E+01 Qxc -0.9802769E+01 3,+3 120 3 -1 1.272960 2.044395 -0.028654 Rho 0.3799066E-01 |GRAD(Rho)| 0.6090310E-13 GRAD(Rho)x -0.1037051E-13 GRAD(Rho)y -0.4499904E-13 GRAD(Rho)z -0.3970801E-13 Laplacian 0.1433207E+00 (-1/4)Del**2(Rho)) -0.3583016E-01 Diamond 0.4839458E-01 Metallicity 0.2064266E+01 Ellipticity 0.4804152E-01 Gb(Abramov) 0.3621394E-01 Vb(Abramov) -0.3659772E-01 Hb(Abramov) -0.3837778E-03 Ex_ueg -0.9432369E-02 Ec_ueg -0.1762679E-02 Delta_ex -0.1091590E-01 Delta_ec 0.4099087E-02 Delta_et -0.4015936E-01 Pxc 0.5351156E+01 Qxc -0.2663007E+01 3,-1 121 3 +1 0.589385 2.549403 -0.735601 Rho 0.2520214E-01 |GRAD(Rho)| 0.4782973E-10 GRAD(Rho)x 0.3500011E-10 GRAD(Rho)y -0.1567893E-10 GRAD(Rho)z 0.2858053E-10 Laplacian 0.9812583E-01 (-1/4)Del**2(Rho)) -0.2453146E-01 Diamond 0.1307256E-01 Metallicity 0.1521337E+01 Ellipticity -0.3857155E+01 Gb(Abramov) 0.2257441E-01 Vb(Abramov) -0.2061736E-01 Hb(Abramov) 0.1957050E-02 Ex_ueg -0.5457179E-02 Ec_ueg -0.1098897E-02 Delta_ex -0.6126324E-02 Delta_ec 0.1683484E-02 Delta_et -0.1488555E-01 Pxc 0.4966052E+01 Qxc -0.3639075E+01 3,+1 122 3 +1 1.494404 -0.457054 -2.243085 Rho 0.2348359E-01 |GRAD(Rho)| 0.5025616E-16 GRAD(Rho)x 0.2152221E-16 GRAD(Rho)y 0.7924867E-17 GRAD(Rho)z 0.4471770E-16 Laplacian 0.8703656E-01 (-1/4)Del**2(Rho)) -0.2175914E-01 Diamond 0.9656750E-02 Metallicity 0.1524705E+01 Ellipticity -0.2890311E+01 Gb(Abramov) 0.2003547E-01 Vb(Abramov) -0.1831180E-01 Hb(Abramov) 0.1723670E-02 Ex_ueg -0.4966737E-02 Ec_ueg -0.1012673E-02 Delta_ex -0.5230713E-02 Delta_ec 0.1310984E-02 Delta_et -0.1144126E-01 Pxc 0.4904583E+01 Qxc -0.3989914E+01 3,+1 123 3 +1 1.443548 -1.421327 -2.867176 Rho 0.1201769E-01 |GRAD(Rho)| 0.2518618E-16 GRAD(Rho)x 0.8730326E-17 GRAD(Rho)y 0.2344096E-16 GRAD(Rho)z 0.2940470E-17 Laplacian 0.5577413E-01 (-1/4)Del**2(Rho)) -0.1394353E-01 Diamond 0.1803125E-02 Metallicity 0.7790205E+00 Ellipticity -0.1134985E+01 Gb(Abramov) 0.1110607E-01 Vb(Abramov) -0.8268610E-02 Hb(Abramov) 0.2837461E-02 Ex_ueg -0.2033043E-02 Ec_ueg -0.4603859E-03 Delta_ex -0.2616785E-02 Delta_ec 0.4992970E-03 Delta_et -0.3917748E-02 Pxc 0.4415954E+01 Qxc -0.5240937E+01 3,+1 124 3 -1 1.468107 -2.663043 -2.019708 Rho 0.7958904E-01 |GRAD(Rho)| 0.1070173E-12 GRAD(Rho)x 0.3853449E-13 GRAD(Rho)y 0.9676199E-13 GRAD(Rho)z 0.2459487E-13 Laplacian 0.3203003E+00 (-1/4)Del**2(Rho)) -0.8007508E-01 Diamond 0.2986300E+00 Metallicity 0.3168190E+01 Ellipticity 0.8917501E-02 Gb(Abramov) 0.9566557E-01 Vb(Abramov) -0.1112561E+00 Hb(Abramov) -0.1559049E-01 Ex_ueg -0.2528460E-01 Ec_ueg -0.4106237E-02 Delta_ex -0.2953768E-01 Delta_ec 0.9225787E-02 Delta_et -0.1090725E+00 Pxc 0.6157609E+01 Qxc -0.3201643E+01 3,-1 125 3 +1 1.635593 -1.306048 1.732222 Rho 0.2291018E-01 |GRAD(Rho)| 0.3465673E-16 GRAD(Rho)x -0.1355611E-16 GRAD(Rho)y 0.2930691E-16 GRAD(Rho)z 0.1258674E-16 Laplacian 0.8738346E-01 (-1/4)Del**2(Rho)) -0.2184586E-01 Diamond 0.1035625E-01 Metallicity 0.1457353E+01 Ellipticity -0.4018905E+01 Gb(Abramov) 0.1987010E-01 Vb(Abramov) -0.1789433E-01 Hb(Abramov) 0.1975767E-02 Ex_ueg -0.4805696E-02 Ec_ueg -0.9840814E-03 Delta_ex -0.5336863E-02 Delta_ec 0.1531000E-02 Delta_et -0.1321302E-01 Pxc 0.4883433E+01 Qxc -0.3485868E+01 3,+1 126 3 +1 1.487398 -1.428742 2.882322 Rho 0.1157436E-01 |GRAD(Rho)| 0.8920107E-17 GRAD(Rho)x -0.2395660E-18 GRAD(Rho)y 0.8916829E-17 GRAD(Rho)z 0.3290192E-19 Laplacian 0.5307326E-01 (-1/4)Del**2(Rho)) -0.1326832E-01 Diamond 0.1684721E-02 Metallicity 0.7689516E+00 Ellipticity -0.1162793E+01 Gb(Abramov) 0.1054599E-01 Vb(Abramov) -0.7823669E-02 Hb(Abramov) 0.2722323E-02 Ex_ueg -0.1933664E-02 Ec_ueg -0.4399558E-03 Delta_ex -0.2481230E-02 Delta_ec 0.5052500E-03 Delta_et -0.3898940E-02 Pxc 0.4395133E+01 Qxc -0.4910895E+01 3,+1 127 3 -1 1.727738 -0.679157 1.680756 Rho 0.2722353E-01 |GRAD(Rho)| 0.3694940E-13 GRAD(Rho)x 0.1216977E-13 GRAD(Rho)y -0.3344379E-13 GRAD(Rho)z 0.9933182E-14 Laplacian 0.1072777E+00 (-1/4)Del**2(Rho)) -0.2681943E-01 Diamond 0.2306662E-01 Metallicity 0.1582502E+01 Ellipticity 0.1044073E+00 Gb(Abramov) 0.2495325E-01 Vb(Abramov) -0.2308708E-01 Hb(Abramov) 0.1866174E-02 Ex_ueg -0.6048453E-02 Ec_ueg -0.1201304E-02 Delta_ex -0.7532722E-02 Delta_ec 0.3082026E-02 Delta_et -0.2756143E-01 Pxc 0.5034906E+01 Qxc -0.2444081E+01 3,-1 128 3 -1 1.774020 -0.700059 -1.579207 Rho 0.3303998E-01 |GRAD(Rho)| 0.1072644E-14 GRAD(Rho)x 0.5676576E-15 GRAD(Rho)y -0.8318256E-15 GRAD(Rho)z -0.3693188E-15 Laplacian 0.1222751E+00 (-1/4)Del**2(Rho)) -0.3056877E-01 Diamond 0.3336186E-01 Metallicity 0.1917233E+01 Ellipticity 0.7242433E-01 Gb(Abramov) 0.3014709E-01 Vb(Abramov) -0.2972541E-01 Hb(Abramov) 0.4216795E-03 Ex_ueg -0.7830176E-02 Ec_ueg -0.1501453E-02 Delta_ex -0.8937820E-02 Delta_ec 0.3395452E-02 Delta_et -0.3203112E-01 Pxc 0.5215066E+01 Qxc -0.2632292E+01 3,-1 129 3 -1 1.848641 3.063654 -0.715517 Rho 0.1656299E+00 |GRAD(Rho)| 0.2943550E-14 GRAD(Rho)x -0.2351282E-14 GRAD(Rho)y -0.1559435E-14 GRAD(Rho)z 0.8391183E-15 Laplacian 0.6481061E+00 (-1/4)Del**2(Rho)) -0.1620265E+00 Diamond 0.1477965E+01 Metallicity 0.5311269E+01 Ellipticity 0.4235188E-01 Gb(Abramov) 0.2514454E+00 Vb(Abramov) -0.3408643E+00 Hb(Abramov) -0.8941890E-01 Ex_ueg -0.6717949E-01 Ec_ueg -0.9451448E-02 Delta_ex -0.7131579E-01 Delta_ec 0.1601529E-01 Delta_et -0.2159069E+00 Pxc 0.7107852E+01 Qxc -0.4452980E+01 3,-1 130 3 -1 0.401777 3.283234 -1.476112 Rho 0.9331071E-01 |GRAD(Rho)| 0.8641763E-14 GRAD(Rho)x 0.3909233E-14 GRAD(Rho)y 0.5891445E-14 GRAD(Rho)z 0.4968787E-14 Laplacian 0.3780503E+00 (-1/4)Del**2(Rho)) -0.9451257E-01 Diamond 0.4277234E+00 Metallicity 0.3499044E+01 Ellipticity 0.1763031E-01 Gb(Abramov) 0.1181257E+00 Vb(Abramov) -0.1417387E+00 Hb(Abramov) -0.2361308E-01 Ex_ueg -0.3125794E-01 Ec_ueg -0.4921652E-02 Delta_ex -0.3616612E-01 Delta_ec 0.1054276E-01 Delta_et -0.1289640E+00 Pxc 0.6351107E+01 Qxc -0.3430422E+01 3,-1 131 3 -1 1.880311 3.042401 0.686518 Rho 0.1255142E+00 |GRAD(Rho)| 0.2994584E-14 GRAD(Rho)x 0.2350462E-14 GRAD(Rho)y 0.1714408E-14 GRAD(Rho)z 0.7096916E-15 Laplacian 0.4954275E+00 (-1/4)Del**2(Rho)) -0.1238569E+00 Diamond 0.8160722E+00 Metallicity 0.4376440E+01 Ellipticity 0.1673490E-01 Gb(Abramov) 0.1729133E+00 Vb(Abramov) -0.2219697E+00 Hb(Abramov) -0.4905641E-01 Ex_ueg -0.4641326E-01 Ec_ueg -0.6895028E-02 Delta_ex -0.5102111E-01 Delta_ec 0.1325115E-01 Delta_et -0.1718551E+00 Pxc 0.6731410E+01 Qxc -0.3850314E+01 3,-1 132 3 -1 2.721359 -1.573347 -2.007640 Rho 0.1828291E+00 |GRAD(Rho)| 0.3516122E-15 GRAD(Rho)x 0.1656119E-16 GRAD(Rho)y -0.3342595E-15 GRAD(Rho)z -0.1078307E-15 Laplacian 0.7050266E+00 (-1/4)Del**2(Rho)) -0.1762567E+00 Diamond 0.1809309E+01 Metallicity 0.5756385E+01 Ellipticity 0.4589703E-01 Gb(Abramov) 0.2866046E+00 Vb(Abramov) -0.3969526E+00 Hb(Abramov) -0.1103480E+00 Ex_ueg -0.7663824E-01 Ec_ueg -0.1057723E-01 Delta_ex -0.7951675E-01 Delta_ec 0.1696554E-01 Delta_et -0.2312058E+00 Pxc 0.7245589E+01 Qxc -0.4686957E+01 3,-1 133 3 -1 2.737794 -1.514289 2.020443 Rho 0.1736899E+00 |GRAD(Rho)| 0.7818445E-16 GRAD(Rho)x -0.5082198E-16 GRAD(Rho)y 0.5545694E-16 GRAD(Rho)z 0.2131813E-16 Laplacian 0.6593885E+00 (-1/4)Del**2(Rho)) -0.1648471E+00 Diamond 0.1583777E+01 Metallicity 0.5650620E+01 Ellipticity 0.4916088E-01 Gb(Abramov) 0.2651462E+00 Vb(Abramov) -0.3654452E+00 Hb(Abramov) -0.1002990E+00 Ex_ueg -0.7157333E-01 Ec_ueg -0.9976884E-02 Delta_ex -0.7335648E-01 Delta_ec 0.1597516E-01 Delta_et -0.2162181E+00 Pxc 0.7173916E+01 Qxc -0.4591908E+01 3,-1 134 3 -1 2.522456 -0.343004 -2.681039 Rho 0.1252430E+00 |GRAD(Rho)| 0.1986843E-12 GRAD(Rho)x 0.5767157E-13 GRAD(Rho)y 0.1178971E-12 GRAD(Rho)z 0.1491634E-12 Laplacian 0.4961424E+00 (-1/4)Del**2(Rho)) -0.1240356E+00 Diamond 0.8150752E+00 Metallicity 0.4354408E+01 Ellipticity 0.9633051E-02 Gb(Abramov) 0.1727073E+00 Vb(Abramov) -0.2213790E+00 Hb(Abramov) -0.4867172E-01 Ex_ueg -0.4627959E-01 Ec_ueg -0.6878096E-02 Delta_ex -0.5106761E-01 Delta_ec 0.1327585E-01 Delta_et -0.1721101E+00 Pxc 0.6728547E+01 Qxc -0.3846655E+01 3,-1 135 3 +1 3.007849 0.521443 -0.040080 Rho 0.1235335E-01 |GRAD(Rho)| 0.1255282E-16 GRAD(Rho)x -0.2632415E-17 GRAD(Rho)y 0.1181759E-16 GRAD(Rho)z -0.3314875E-17 Laplacian 0.6131392E-01 (-1/4)Del**2(Rho)) -0.1532848E-01 Diamond 0.2532640E-02 Metallicity 0.7419286E+00 Ellipticity -0.1269661E+01 Gb(Abramov) 0.1211443E-01 Vb(Abramov) -0.8900373E-02 Hb(Abramov) 0.3214054E-02 Ex_ueg -0.2109105E-02 Ec_ueg -0.4759055E-03 Delta_ex -0.3030365E-02 Delta_ec 0.7839442E-03 Delta_et -0.5929097E-02 Pxc 0.4431773E+01 Qxc -0.3865537E+01 3,+1 136 3 -1 2.651176 1.860821 0.634607 Rho 0.1486361E+00 |GRAD(Rho)| 0.6955532E-15 GRAD(Rho)x 0.1962609E-15 GRAD(Rho)y -0.5677696E-15 GRAD(Rho)z 0.3505903E-15 Laplacian 0.6252474E+00 (-1/4)Del**2(Rho)) -0.1563119E+00 Diamond 0.1250405E+01 Metallicity 0.4596585E+01 Ellipticity 0.1022696E-01 Gb(Abramov) 0.2239580E+00 Vb(Abramov) -0.2916042E+00 Hb(Abramov) -0.6764617E-01 Ex_ueg -0.5815016E-01 Ec_ueg -0.8356264E-02 Delta_ex -0.6696660E-01 Delta_ec 0.1584894E-01 Delta_et -0.2105951E+00 Pxc 0.6958871E+01 Qxc -0.4225305E+01 3,-1 137 3 -1 2.926911 0.380080 1.589370 Rho 0.1192257E+00 |GRAD(Rho)| 0.4478911E-14 GRAD(Rho)x 0.9539370E-15 GRAD(Rho)y -0.3747762E-14 GRAD(Rho)z 0.2259410E-14 Laplacian 0.4967441E+00 (-1/4)Del**2(Rho)) -0.1241860E+00 Diamond 0.7572691E+00 Metallicity 0.4006487E+01 Ellipticity 0.1367088E-01 Gb(Abramov) 0.1657156E+00 Vb(Abramov) -0.2072452E+00 Hb(Abramov) -0.4152961E-01 Ex_ueg -0.4333895E-01 Ec_ueg -0.6503729E-02 Delta_ex -0.5037164E-01 Delta_ec 0.1315860E-01 Delta_et -0.1686761E+00 Pxc 0.6663707E+01 Qxc -0.3828040E+01 3,-1 138 3 -1 2.673244 1.865755 -0.753124 Rho 0.1591991E+00 |GRAD(Rho)| 0.1179240E-12 GRAD(Rho)x -0.2023550E-13 GRAD(Rho)y 0.8893266E-13 GRAD(Rho)z 0.7475007E-13 Laplacian 0.6616072E+00 (-1/4)Del**2(Rho)) -0.1654018E+00 Diamond 0.1441236E+01 Metallicity 0.4870580E+01 Ellipticity 0.2246489E-01 Gb(Abramov) 0.2445350E+00 Vb(Abramov) -0.3236682E+00 Hb(Abramov) -0.7913318E-01 Ex_ueg -0.6372442E-01 Ec_ueg -0.9034966E-02 Delta_ex -0.7211217E-01 Delta_ec 0.1655662E-01 Delta_et -0.2222119E+00 Pxc 0.7053089E+01 Qxc -0.4355488E+01 3,-1 139 3 -1 3.192397 -0.758222 0.928857 Rho 0.9950048E-01 |GRAD(Rho)| 0.1763399E-14 GRAD(Rho)x -0.1376797E-14 GRAD(Rho)y 0.2025061E-15 GRAD(Rho)z -0.1083050E-14 Laplacian 0.4180124E+00 (-1/4)Del**2(Rho)) -0.1045031E+00 Diamond 0.5162563E+00 Metallicity 0.3522081E+01 Ellipticity 0.9384327E-02 Gb(Abramov) 0.1310135E+00 Vb(Abramov) -0.1575238E+00 Hb(Abramov) -0.2651036E-01 Ex_ueg -0.3405273E-01 Ec_ueg -0.5294803E-02 Delta_ex -0.4068029E-01 Delta_ec 0.1165363E-01 Delta_et -0.1445990E+00 Pxc 0.6431350E+01 Qxc -0.3490782E+01 3,-1 140 3 -1 2.960602 0.358905 -1.577809 Rho 0.1216801E+00 |GRAD(Rho)| 0.2127865E-14 GRAD(Rho)x -0.1935684E-14 GRAD(Rho)y 0.1496741E-15 GRAD(Rho)z 0.8709396E-15 Laplacian 0.5091463E+00 (-1/4)Del**2(Rho)) -0.1272866E+00 Diamond 0.8070451E+00 Metallicity 0.4043928E+01 Ellipticity 0.1513625E-01 Gb(Abramov) 0.1706474E+00 Vb(Abramov) -0.2140081E+00 Hb(Abramov) -0.4336077E-01 Ex_ueg -0.4453260E-01 Ec_ueg -0.6656131E-02 Delta_ex -0.5203455E-01 Delta_ec 0.1369577E-01 Delta_et -0.1766409E+00 Pxc 0.6690462E+01 Qxc -0.3799315E+01 3,-1 141 3 -1 3.210416 -0.796421 -0.857989 Rho 0.1714905E+00 |GRAD(Rho)| 0.1960489E-14 GRAD(Rho)x 0.1301612E-14 GRAD(Rho)y -0.1251576E-16 GRAD(Rho)z -0.1466004E-14 Laplacian 0.7141541E+00 (-1/4)Del**2(Rho)) -0.1785385E+00 Diamond 0.1687733E+01 Metallicity 0.5107651E+01 Ellipticity 0.2757411E-01 Gb(Abramov) 0.2710111E+00 Vb(Abramov) -0.3634836E+00 Hb(Abramov) -0.9247255E-01 Ex_ueg -0.7036743E-01 Ec_ueg -0.9833124E-02 Delta_ex -0.7918285E-01 Delta_ec 0.1733678E-01 Delta_et -0.2342518E+00 Pxc 0.7156162E+01 Qxc -0.4567334E+01 3,-1 142 3 -1 2.513251 -0.308186 2.765992 Rho 0.1678659E+00 |GRAD(Rho)| 0.4959388E-13 GRAD(Rho)x 0.3468317E-13 GRAD(Rho)y -0.1437361E-13 GRAD(Rho)z -0.3240417E-13 Laplacian 0.6489880E+00 (-1/4)Del**2(Rho)) -0.1622470E+00 Diamond 0.1494740E+01 Metallicity 0.5423928E+01 Ellipticity 0.5443749E-01 Gb(Abramov) 0.2548340E+00 Vb(Abramov) -0.3474210E+00 Hb(Abramov) -0.9258701E-01 Ex_ueg -0.6839143E-01 Ec_ueg -0.9596832E-02 Delta_ex -0.7157257E-01 Delta_ec 0.1584018E-01 Delta_et -0.2135044E+00 Pxc 0.7126459E+01 Qxc -0.4518419E+01 3,-1 143 3 -1 3.223098 3.111572 -0.056228 Rho 0.2334643E+00 |GRAD(Rho)| 0.7767410E-15 GRAD(Rho)x -0.7031051E-15 GRAD(Rho)y -0.1959153E-15 GRAD(Rho)z 0.2656820E-15 Laplacian 0.8509087E+00 (-1/4)Del**2(Rho)) -0.2127272E+00 Diamond 0.2916185E+01 Metallicity 0.7168545E+01 Ellipticity 0.5468370E-02 Gb(Abramov) 0.3959755E+00 Vb(Abramov) -0.5792238E+00 Hb(Abramov) -0.1832483E+00 Ex_ueg -0.1061726E+00 Ec_ueg -0.1398849E-01 Delta_ex -0.1020978E+00 Delta_ec 0.1900125E-01 Delta_et -0.2631416E+00 Pxc 0.7589996E+01 Qxc -0.5373215E+01 3,-1 144 3 -1 -1.471018 2.596509 -1.717693 Rho 0.2057733E+00 |GRAD(Rho)| 0.1187870E-10 GRAD(Rho)x 0.1030547E-10 GRAD(Rho)y 0.5906281E-11 GRAD(Rho)z 0.1289072E-12 Laplacian 0.7963643E+00 (-1/4)Del**2(Rho)) -0.1990911E+00 Diamond 0.2315859E+01 Metallicity 0.6206065E+01 Ellipticity 0.1989701E-01 Gb(Abramov) 0.3386561E+00 Vb(Abramov) -0.4782211E+00 Hb(Abramov) -0.1395650E+00 Ex_ueg -0.8972298E-01 Ec_ueg -0.1210529E-01 Delta_ex -0.9229826E-01 Delta_ec 0.1809624E-01 Delta_et -0.2475548E+00 Pxc 0.7411879E+01 Qxc -0.5100410E+01 3,-1 145 3 -1 -0.613504 3.837368 2.340373 Rho 0.2341972E+00 |GRAD(Rho)| 0.2664558E-13 GRAD(Rho)x -0.2347149E-13 GRAD(Rho)y 0.4283249E-14 GRAD(Rho)z 0.1186296E-13 Laplacian 0.8689398E+00 (-1/4)Del**2(Rho)) -0.2172349E+00 Diamond 0.2975783E+01 Metallicity 0.7056557E+01 Ellipticity 0.3250125E-02 Gb(Abramov) 0.4003118E+00 Vb(Abramov) -0.5833886E+00 Hb(Abramov) -0.1830768E+00 Ex_ueg -0.1066172E+00 Ec_ueg -0.1403890E-01 Delta_ex -0.1042724E+00 Delta_ec 0.1925405E-01 Delta_et -0.2661140E+00 Pxc 0.7594411E+01 Qxc -0.5415608E+01 3,-1 146 3 -1 -0.804793 3.493325 -0.758295 Rho 0.1143714E+00 |GRAD(Rho)| 0.4342830E-15 GRAD(Rho)x 0.7637696E-16 GRAD(Rho)y -0.2125375E-15 GRAD(Rho)z -0.3709394E-15 Laplacian 0.4370265E+00 (-1/4)Del**2(Rho)) -0.1092566E+00 Diamond 0.6402597E+00 Metallicity 0.4249143E+01 Ellipticity 0.3623787E-01 Gb(Abramov) 0.1502122E+00 Vb(Abramov) -0.1911679E+00 Hb(Abramov) -0.4095562E-01 Ex_ueg -0.4100232E-01 Ec_ueg -0.6203559E-02 Delta_ex -0.4397255E-01 Delta_ec 0.1185579E-01 Delta_et -0.1511262E+00 Pxc 0.6609484E+01 Qxc -0.3708952E+01 3,-1 147 3 -1 -0.717646 3.523230 0.857520 Rho 0.1498777E+00 |GRAD(Rho)| 0.2672609E-15 GRAD(Rho)x -0.7842847E-16 GRAD(Rho)y 0.6278886E-16 GRAD(Rho)z -0.2476589E-15 Laplacian 0.5894534E+00 (-1/4)Del**2(Rho)) -0.1473634E+00 Diamond 0.1198874E+01 Metallicity 0.4943776E+01 Ellipticity 0.5568115E-01 Gb(Abramov) 0.2196641E+00 Vb(Abramov) -0.2919649E+00 Hb(Abramov) -0.7230079E-01 Ex_ueg -0.5879872E-01 Ec_ueg -0.8435687E-02 Delta_ex -0.6334406E-01 Delta_ec 0.1505704E-01 Delta_et -0.2006424E+00 Pxc 0.6970234E+01 Qxc -0.4206941E+01 3,-1 148 3 -1 0.162832 -1.080430 -3.590175 Rho 0.1508918E+00 |GRAD(Rho)| 0.3339387E-15 GRAD(Rho)x -0.3486758E-17 GRAD(Rho)y -0.3263177E-15 GRAD(Rho)z -0.7084922E-16 Laplacian 0.5935578E+00 (-1/4)Del**2(Rho)) -0.1483895E+00 Diamond 0.1214391E+01 Metallicity 0.4965079E+01 Ellipticity 0.5884670E-01 Gb(Abramov) 0.2217205E+00 Vb(Abramov) -0.2950516E+00 Hb(Abramov) -0.7333107E-01 Ex_ueg -0.5932975E-01 Ec_ueg -0.8500626E-02 Delta_ex -0.6386467E-01 Delta_ec 0.1508984E-01 Delta_et -0.2011618E+00 Pxc 0.6979457E+01 Qxc -0.4232297E+01 3,-1 149 3 -1 0.112346 -1.139209 3.578325 Rho 0.1428186E+00 |GRAD(Rho)| 0.5703428E-13 GRAD(Rho)x 0.5013298E-13 GRAD(Rho)y -0.2530292E-13 GRAD(Rho)z 0.9967728E-14 Laplacian 0.5528202E+00 (-1/4)Del**2(Rho)) -0.1382051E+00 Diamond 0.1065043E+01 Metallicity 0.4864114E+01 Ellipticity 0.5091793E-01 Gb(Abramov) 0.2041776E+00 Vb(Abramov) -0.2701501E+00 Hb(Abramov) -0.6597251E-01 Ex_ueg -0.5513550E-01 Ec_ueg -0.7985396E-02 Delta_ex -0.5875258E-01 Delta_ec 0.1436537E-01 Delta_et -0.1902531E+00 Pxc 0.6904542E+01 Qxc -0.4089877E+01 3,-1 150 3 -1 0.540232 3.297597 1.534815 Rho 0.1504269E+00 |GRAD(Rho)| 0.3138945E-15 GRAD(Rho)x -0.2993753E-15 GRAD(Rho)y -0.4512314E-16 GRAD(Rho)z 0.8287370E-16 Laplacian 0.6069193E+00 (-1/4)Del**2(Rho)) -0.1517298E+00 Diamond 0.1231652E+01 Metallicity 0.4830865E+01 Ellipticity 0.5355193E-01 Gb(Abramov) 0.2233176E+00 Vb(Abramov) -0.2949054E+00 Hb(Abramov) -0.7158779E-01 Ex_ueg -0.5908618E-01 Ec_ueg -0.8470850E-02 Delta_ex -0.6519841E-01 Delta_ec 0.1534421E-01 Delta_et -0.2042407E+00 Pxc 0.6975236E+01 Qxc -0.4249057E+01 3,-1 151 3 -1 3.943018 -0.680018 -2.188928 Rho 0.2338104E+00 |GRAD(Rho)| 0.1578554E-14 GRAD(Rho)x -0.6609296E-15 GRAD(Rho)y -0.1408775E-14 GRAD(Rho)z -0.2652501E-15 Laplacian 0.8457941E+00 (-1/4)Del**2(Rho)) -0.2114485E+00 Diamond 0.2907603E+01 Metallicity 0.7229722E+01 Ellipticity 0.2929638E-02 Gb(Abramov) 0.3957514E+00 Vb(Abramov) -0.5800542E+00 Hb(Abramov) -0.1843028E+00 Ex_ueg -0.1063825E+00 Ec_ueg -0.1401229E-01 Delta_ex -0.1015441E+00 Delta_ec 0.1891601E-01 Delta_et -0.2621358E+00 Pxc 0.7592083E+01 Qxc -0.5368154E+01 3,-1 152 3 -1 3.917618 -0.591126 2.279050 Rho 0.2211459E+00 |GRAD(Rho)| 0.2613200E-13 GRAD(Rho)x 0.1587380E-13 GRAD(Rho)y 0.2068395E-13 GRAD(Rho)z 0.1754348E-14 Laplacian 0.7865057E+00 (-1/4)Del**2(Rho)) -0.1966264E+00 Diamond 0.2539419E+01 Metallicity 0.7085588E+01 Ellipticity 0.4402651E-02 Gb(Abramov) 0.3632866E+00 Vb(Abramov) -0.5299468E+00 Hb(Abramov) -0.1666602E+00 Ex_ueg -0.9876964E-01 Ec_ueg -0.1314553E-01 Delta_ex -0.9313634E-01 Delta_ec 0.1798986E-01 Delta_et -0.2490619E+00 Pxc 0.7513555E+01 Qxc -0.5177158E+01 3,-1 153 3 -1 0.668204 -3.126834 0.864326 Rho 0.1368662E+00 |GRAD(Rho)| 0.1667559E-15 GRAD(Rho)x -0.2511283E-16 GRAD(Rho)y -0.1158741E-16 GRAD(Rho)z -0.1644464E-15 Laplacian 0.5671240E+00 (-1/4)Del**2(Rho)) -0.1417810E+00 Diamond 0.1036016E+01 Metallicity 0.4416675E+01 Ellipticity 0.3064219E-02 Gb(Abramov) 0.1988874E+00 Vb(Abramov) -0.2559938E+00 Hb(Abramov) -0.5710643E-01 Ex_ueg -0.5209307E-01 Ec_ueg -0.7608138E-02 Delta_ex -0.5962893E-01 Delta_ec 0.1484734E-01 Delta_et -0.1952707E+00 Pxc 0.6847020E+01 Qxc -0.4016136E+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 67 104 110 71 124 103 109 95 88 81 89 147 150 145 127 139 137 133 142 152 96 98 60 112 148 143 120 138 136 129 131 94 93 67 100 149 115 91 83 153 102 70 108 128 140 141 134 132 151 79 87 144 75 130 146 64 48 49 55 65 99 92 106 56 53 57 85 58 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 15 16 18 19 21 23 25 28 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 21 23 28 36 36 36 20 45 46 45 27 46 2.330926 1.936146 1.756166 2.179648 2.007888 1.764970 1.750895 2.390582 1.955308 1.938057 1.924926 1.921253 1.752467 2.617919 2.052908 1.981269 1.843884 1.855217 1.748506 2.413693 1.940635 1.957452 1.917544 1.921873 1.753975 2.491174 1.890312 1.917604 1.887378 1.994535 1.761049 2.369661 1.785038 1.958695 1.944492 2.132101 2.321090 1.758068 1.948043 1.983508 2.194718 1.765224 2.555806 1.996507 1.861147 1.994757 1.848571 1.753538 2.404175 1.966042 1.776370 1.752304 2.094278 2.010898 1.767567 3.079965 3.156171 3.162258 1.643833 1.757242 1.761992 3.224182 1.762687 1.789572 1.000973 3.236961 0.997187 2.332195 1.936534 1.756197 2.180143 2.008479 1.764990 1.750905 2.392285 1.956373 1.938616 1.925445 1.921740 1.752476 2.619319 2.053453 1.982005 1.844425 1.855693 1.748534 2.415258 1.941239 1.958615 1.918096 1.922423 1.753982 2.492904 1.890741 1.918114 1.887832 1.995040 1.761071 2.371215 1.785105 1.959038 1.945023 2.132624 2.322521 1.758090 1.948398 1.984067 2.195264 1.765244 2.557296 1.996859 1.861592 1.995299 1.848952 1.753553 2.405517 1.966517 1.776592 1.752337 2.094988 2.011576 1.767589 3.108891 3.206708 3.293559 1.643840 1.757279 1.762026 3.227547 1.767834 1.797940 1.001053 3.247797 0.997272 30 27 25 27 26 24 24 33 28 27 23 23 23 29 25 25 22 23 21 31 27 27 27 23 21 30 25 25 25 26 27 32 25 28 23 30 30 24 23 27 28 24 29 23 22 27 24 23 31 26 22 26 27 23 25 36 36 37 23 26 25 35 27 28 20 35 20 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 W O W Mo W W W O O W 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 As O O O O O O O O H H 2.3572 -0.8285 2.4245 2.2479 2.4288 2.4503 2.3545 -0.8447 -0.8534 2.3421 2.4369 2.2150 -1.0917 -0.8862 -1.0888 -1.0939 -0.8137 -0.9511 -0.8649 -0.9690 -0.7880 -0.9426 -0.8157 -0.9927 -0.9789 -0.8067 -0.9476 -0.8100 -0.9849 -0.7760 -0.9638 -1.0055 -0.9683 -0.9591 -0.9104 2.2128 -0.8610 -0.9240 -0.9898 -0.9834 -0.8612 -0.8441 -0.8310 -0.7842 0.2708 0.2739 2.1318 1.9575 2.1087 1.9964 2.1082 2.0925 2.1278 1.9566 1.9540 2.1363 2.0982 2.0067 1.9298 1.9586 1.9308 1.9312 1.9565 1.9318 1.9546 1.9315 1.9663 1.9335 1.8733 1.9287 1.9287 1.9570 1.9319 1.8737 1.9377 1.9653 1.9408 1.9385 1.9428 1.9407 1.9487 0.8891 1.9531 1.9463 1.9387 1.9394 1.9532 1.9569 1.9568 1.9662 0.5737 0.5741 6.1097 4.8378 6.1111 6.0920 6.1067 6.0907 6.1173 4.8552 4.8675 6.1132 6.0910 6.1054 5.1294 4.8943 5.1253 5.1297 4.8245 4.9921 4.8777 5.0075 4.7912 4.9807 4.9121 5.0352 5.0207 4.8165 4.9891 4.9062 5.0159 4.7812 4.9954 5.0361 4.9954 4.9902 4.9345 1.3456 4.8767 4.9496 5.0204 5.0127 4.8768 4.8541 4.8412 4.7878 0.1555 0.1520 3.3726 0.0333 3.3263 3.6637 3.3271 3.3367 3.3713 0.0329 0.0318 3.3798 3.3445 3.6728 0.0325 0.0333 0.0327 0.0329 0.0328 0.0271 0.0326 0.0300 0.0305 0.0284 0.0303 0.0289 0.0294 0.0332 0.0266 0.0301 0.0313 0.0295 0.0276 0.0310 0.0300 0.0282 0.0272 10.5525 0.0313 0.0281 0.0307 0.0314 0.0313 0.0330 0.0331 0.0303 0.0000 0.0000 14.0287 0.0000 14.0295 0.0000 14.0294 14.0299 14.0290 0.0000 0.0000 14.0287 14.0295 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 W O W Mo W W W O O W 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 As O O O O O O O O H H 2.473637 -0.876646 2.507695 3.161922 2.506182 2.502133 2.477043 -0.890934 -0.905631 2.473962 2.492844 3.146814 -1.094188 -0.974278 -1.136470 -1.114716 -0.879033 -1.092673 -0.845994 -0.979086 -0.988485 -1.067221 -0.664585 -0.992700 -0.980201 -0.871945 -1.095566 -0.657764 -0.977536 -1.058986 -1.068671 -0.985788 -0.977382 -1.072797 -1.111867 2.274170 -0.914467 -1.113023 -0.972834 -0.975852 -0.915158 -0.890145 -0.880870 -1.063665 0.033426 0.037329 1.937498 -0.777651 1.945730 2.347489 1.948795 1.933174 1.924423 -0.802025 -0.815854 1.939790 1.932642 2.330204 -0.730487 -0.808863 -0.786242 -0.762522 -0.788816 -0.836801 -0.757195 -0.743070 -0.804869 -0.836925 -0.822200 -0.721756 -0.725031 -0.776485 -0.834918 -0.819702 -0.799114 -0.858620 -0.905562 -0.811435 -0.827322 -0.874414 -0.918520 1.750962 -0.829432 -0.916681 -0.791092 -0.801648 -0.834698 -0.801178 -0.780427 -0.858076 0.278825 0.290100 2.024297 -0.757674 2.060055 2.437323 2.055004 2.034390 2.022155 -0.766032 -0.787440 2.030191 2.034251 2.426950 -0.797780 -0.745285 -0.848347 -0.816635 -0.796414 -0.926711 -0.810468 -0.821417 -0.870887 -0.926147 -0.849954 -0.820730 -0.820173 -0.781618 -0.925155 -0.870855 -0.837491 -0.835113 -0.935657 -0.878141 -0.852734 -0.931686 -0.935407 1.703259 -0.802670 -0.936330 -0.849876 -0.841288 -0.811578 -0.766902 -0.759223 -0.826767 0.331049 0.381662 -20.79776930 1.61412196 -1.64492867 20.92506602 73.14926092 16.09798415 2.05255912 -37.28779179 -1.54025715 -35.86146913 -308.9232 358.3036 -36.8089 -347.3440 -60.9815 -395.7540 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:52 Nodes: 1 Procs: 1 Jun10-2024 15:28:58 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:17 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -13.92353236 -14.27112150 -14.30755517 -14.45634616 -14.48703308 -14.50676947 -14.51412887 -14.52222735 -14.52531703 -14.53028466 -14.53233777 -14.53325095 -14.53587740 -14.53683589 -14.53759743 -14.53844124 -14.53959414 -14.54110514 -14.54168629 -14.54222734 -14.54267245 -14.54318784 -14.54341364 -14.54349197 -14.54354516 -14.54359389 -14.54361749 -14.54364799 -14.54365730 -14.54366416 -14.54367259 -14.54367865 -14.54368576 -14.54369130 GEOMETRY CONVERGED