ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:02:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.04 1.33 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 Jun21-2024 08:02:00 Nodes: 1 Procs: 1 Jun21-2024 08:02:03 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:02:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 2.39 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun21-2024 08:02:00 Nodes: 1 Procs: 1 Jun21-2024 08:02:03 Nodes: 1 Procs: 1 0 Jun21-2024 08:02:05 Nodes: 1 Procs: 1 Jun21-2024 08:02:07 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:02:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.84 0.03 2.57 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 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun21-2024 08:02:00 Nodes: 1 Procs: 1 Jun21-2024 08:02:03 Nodes: 1 Procs: 1 0 Jun21-2024 08:02:05 Nodes: 1 Procs: 1 Jun21-2024 08:02:07 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:02:10 Nodes: 1 Procs: 1 Jun21-2024 08:02:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:02:17 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.43 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 Jun21-2024 08:02:00 Nodes: 1 Procs: 1 Jun21-2024 08:02:03 Nodes: 1 Procs: 1 0 Jun21-2024 08:02:05 Nodes: 1 Procs: 1 Jun21-2024 08:02:07 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:02:10 Nodes: 1 Procs: 1 Jun21-2024 08:02:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:02:17 Nodes: 1 Procs: 1 Jun21-2024 08:02:19 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:02:21 Hydrogen (TZP) c10-45 c10-45 c10-45 c10-45 c10-45 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.82 0.05 2.68 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 Jun21-2024 08:02:00 Nodes: 1 Procs: 1 Jun21-2024 08:02:03 Nodes: 1 Procs: 1 0 Jun21-2024 08:02:05 Nodes: 1 Procs: 1 Jun21-2024 08:02:07 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:02:10 Nodes: 1 Procs: 1 Jun21-2024 08:02:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:02:17 Nodes: 1 Procs: 1 Jun21-2024 08:02:19 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:02:21 Nodes: 1 Procs: 1 Jun21-2024 08:02:23 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:02:28 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2700.8935000000056 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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.Ta ADF 2019.304 Jun21-2024 08:02:13 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun21-2024 08:02:07 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun21-2024 08:02:23 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun21-2024 08:02:19 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun21-2024 08:02:03 1 1 Hydrogen TZP 1 1 -17.15901314 0.25617696 0.00100000 F 0.08070863 0.00066667 F 0.25617696 0.08070863 0.30000984 0.01000000 F 0.06520073 0.00666667 F Cartesian 2700.8935000000056 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0.3190681E+03 3,-3 15 3 -3 0.940985 0.911281 -1.041836 Rho 0.3190245E+03 3,-3 16 3 -3 -0.992479 0.964127 1.002821 Rho 0.3189806E+03 3,-3 17 3 -3 -3.111014 -1.179824 1.216298 Rho 0.3188190E+03 3,-3 18 3 -3 2.999885 -1.263368 -1.125545 Rho 0.3188104E+03 3,-3 19 3 -3 -3.011952 1.132157 -1.139147 Rho 0.3188617E+03 3,-3 20 3 -3 3.095146 1.161306 1.244062 Rho 0.3188335E+03 3,-3 21 3 -3 1.485538 -1.254503 -3.498504 Rho 0.3190832E+03 3,-3 22 3 -3 1.203686 1.124393 3.062702 Rho 0.3188494E+03 3,-3 23 3 -3 -1.174607 1.144895 -3.026432 Rho 0.3188414E+03 3,-3 24 3 -3 -1.221536 -1.204107 3.171592 Rho 0.3188115E+03 3,-3 25 3 -3 -1.117478 3.032247 -1.189321 Rho 0.3188622E+03 3,-3 26 3 -3 -1.223934 -3.125063 1.238802 Rho 0.3188063E+03 3,-3 27 3 -3 1.174748 3.049776 1.165769 Rho 0.3188265E+03 3,-3 28 3 -3 1.310546 -3.400025 -1.079737 Rho 0.3191685E+03 3,-3 29 3 -3 3.420027 -1.491395 1.572780 Rho 0.3189364E+03 3,-3 30 3 -3 -3.529883 -1.539480 -1.617168 Rho 0.3188527E+03 3,-3 31 3 -3 3.507536 1.536155 -1.499283 Rho 0.3188951E+03 3,-3 32 3 -3 -3.549204 1.565015 1.587768 Rho 0.3188283E+03 3,-3 33 3 -3 1.553998 -1.477737 3.499597 Rho 0.3188676E+03 3,-3 34 3 -3 1.503326 1.554577 -3.483388 Rho 0.3188637E+03 3,-3 35 3 -3 -1.542375 1.551015 3.539331 Rho 0.3188333E+03 3,-3 36 3 -3 -1.906857 -1.313125 -3.822499 Rho 0.3191426E+03 3,-3 37 3 -3 -1.575157 -3.737160 -1.410759 Rho 0.3186235E+03 3,-3 38 3 -3 -1.548837 3.523788 1.552369 Rho 0.3188332E+03 3,-3 39 3 -3 1.597617 -3.461430 1.597672 Rho 0.3188602E+03 3,-3 40 3 -3 1.490206 3.461176 -1.587521 Rho 0.3188605E+03 3,-3 41 3 -3 -0.165143 -3.848662 3.900864 Rho 0.3190173E+03 3,-3 42 3 -3 4.062715 -0.130668 -3.760102 Rho 0.3189742E+03 3,-3 43 3 -3 -0.265785 3.736026 -3.813931 Rho 0.3191244E+03 3,-3 44 3 -3 0.270325 3.847149 3.852004 Rho 0.3190027E+03 3,-3 45 3 -3 3.899244 -3.777578 -0.097499 Rho 0.3190938E+03 3,-3 46 3 -3 3.838479 3.872702 0.197857 Rho 0.3190059E+03 3,-3 47 3 -3 -3.848273 3.824909 -0.274566 Rho 0.3190041E+03 3,-3 48 3 -3 -3.963291 -3.765629 0.184805 Rho 0.3190192E+03 3,-3 49 3 -3 -3.986255 0.448949 -3.634617 Rho 0.3190889E+03 3,-3 50 3 -3 -3.893126 -0.190532 3.915072 Rho 0.3190070E+03 3,-3 51 3 -3 3.826463 0.204983 3.828658 Rho 0.3191160E+03 3,-3 52 3 -3 -0.631409 -3.437242 -1.378377 Rho 0.4529996E+00 3,-3 53 3 +1 -1.694389 0.536110 -0.515209 Rho 0.9618426E-02 |GRAD(Rho)| 0.1729867E-12 GRAD(Rho)x 0.9848786E-13 GRAD(Rho)y 0.7428914E-13 GRAD(Rho)z -0.1212670E-12 Laplacian 0.3609802E-01 (-1/4)Del**2(Rho)) -0.9024505E-02 Diamond 0.1144173E-02 Metallicity 0.8304302E+00 Ellipticity -0.1570626E+01 Gb(Abramov) 0.7265373E-02 Vb(Abramov) -0.5506242E-02 Hb(Abramov) 0.1759131E-02 Ex_ueg -0.1510742E-02 Ec_ueg -0.3507746E-03 Delta_ex -0.1704038E-02 Delta_ec 0.5210028E-03 Delta_et -0.3654392E-02 Pxc 0.4306875E+01 Qxc -0.3270689E+01 3,+1 54 3 +1 -2.239970 1.135193 1.386576 Rho 0.2370777E-01 |GRAD(Rho)| 0.4414831E-16 GRAD(Rho)x 0.4267171E-16 GRAD(Rho)y 0.3794390E-17 GRAD(Rho)z -0.1066775E-16 Laplacian 0.8525372E-01 (-1/4)Del**2(Rho)) -0.2131343E-01 Diamond 0.1033158E-01 Metallicity 0.1581434E+01 Ellipticity -0.5144572E+01 Gb(Abramov) 0.1982658E-01 Vb(Abramov) -0.1833974E-01 Hb(Abramov) 0.1486847E-02 Ex_ueg -0.5030054E-02 Ec_ueg -0.1023875E-02 Delta_ex -0.5223944E-02 Delta_ec 0.1439777E-02 Delta_et -0.1254644E-01 Pxc 0.4912762E+01 Qxc -0.3628300E+01 3,+1 55 3 +1 -1.246693 1.245852 2.239340 Rho 0.2425785E-01 |GRAD(Rho)| 0.2402212E-14 GRAD(Rho)x -0.3716426E-15 GRAD(Rho)y 0.9658739E-15 GRAD(Rho)z 0.2167854E-14 Laplacian 0.9064775E-01 (-1/4)Del**2(Rho)) -0.2266194E-01 Diamond 0.1257728E-01 Metallicity 0.1545290E+01 Ellipticity -0.6508734E+02 Gb(Abramov) 0.2094450E-01 Vb(Abramov) -0.1922706E-01 Hb(Abramov) 0.1717437E-02 Ex_ueg -0.5186265E-02 Ec_ueg -0.1051421E-02 Delta_ex -0.5728688E-02 Delta_ec 0.1781113E-02 Delta_et -0.1554506E-01 Pxc 0.4932625E+01 Qxc -0.3216353E+01 3,+1 56 3 +1 -1.743879 -0.544192 0.596720 Rho 0.8400054E-02 |GRAD(Rho)| 0.3942617E-14 GRAD(Rho)x 0.2761630E-14 GRAD(Rho)y 0.1763269E-14 GRAD(Rho)z -0.2192831E-14 Laplacian 0.3084786E-01 (-1/4)Del**2(Rho)) -0.7711966E-02 Diamond 0.7944827E-03 Metallicity 0.7753983E+00 Ellipticity -0.1500773E+01 Gb(Abramov) 0.6137952E-02 Vb(Abramov) -0.4563937E-02 Hb(Abramov) 0.1574014E-02 Ex_ueg -0.1261134E-02 Ec_ueg -0.2960429E-03 Delta_ex -0.1398566E-02 Delta_ec 0.4299265E-03 Delta_et -0.2924193E-02 Pxc 0.4259970E+01 Qxc -0.3253036E+01 3,+1 57 3 +1 -2.995772 -0.255910 -0.203017 Rho 0.5432695E-02 |GRAD(Rho)| 0.1106283E-16 GRAD(Rho)x 0.7291534E-18 GRAD(Rho)y 0.8860506E-17 GRAD(Rho)z -0.6583765E-17 Laplacian 0.2100646E-01 (-1/4)Del**2(Rho)) -0.5251616E-02 Diamond 0.4429161E-03 Metallicity 0.5507473E+00 Ellipticity -0.1921919E+01 Gb(Abramov) 0.3983129E-02 Vb(Abramov) -0.2714643E-02 Hb(Abramov) 0.1268486E-02 Ex_ueg -0.7053512E-03 Ec_ueg -0.1655807E-03 Delta_ex -0.9742713E-03 Delta_ec 0.5059432E-03 Delta_et -0.2879235E-02 Pxc 0.4259865E+01 Qxc -0.1925654E+01 3,+1 58 3 -1 -1.769799 0.531097 1.788331 Rho 0.3953423E-01 |GRAD(Rho)| 0.2774142E-16 GRAD(Rho)x 0.1172717E-17 GRAD(Rho)y -0.6616386E-17 GRAD(Rho)z -0.2691532E-16 Laplacian 0.1657642E+00 (-1/4)Del**2(Rho)) -0.4144105E-01 Diamond 0.6554603E-01 Metallicity 0.1907266E+01 Ellipticity 0.1944868E-01 Gb(Abramov) 0.4080055E-01 Vb(Abramov) -0.4016005E-01 Hb(Abramov) 0.6404992E-03 Ex_ueg -0.9946787E-02 Ec_ueg -0.1845107E-02 Delta_ex -0.1313188E-01 Delta_ec 0.5419260E-02 Delta_et -0.5373867E-01 Pxc 0.5390899E+01 Qxc -0.2423188E+01 3,-1 59 3 -1 -1.817608 -1.756810 -0.525661 Rho 0.5177624E-01 |GRAD(Rho)| 0.1331742E-14 GRAD(Rho)x -0.6039607E-15 GRAD(Rho)y 0.6464174E-15 GRAD(Rho)z -0.9954454E-15 Laplacian 0.2165987E+00 (-1/4)Del**2(Rho)) -0.5414968E-01 Diamond 0.1239374E+00 Metallicity 0.2288275E+01 Ellipticity 0.1969210E-01 Gb(Abramov) 0.5675135E-01 Vb(Abramov) -0.5935301E-01 Hb(Abramov) -0.2601665E-02 Ex_ueg -0.1425255E-01 Ec_ueg -0.2513291E-02 Delta_ex -0.1834846E-01 Delta_ec 0.7098556E-02 Delta_et -0.7573997E-01 Pxc 0.5670870E+01 Qxc -0.2584816E+01 3,-1 60 3 +1 -3.011623 0.165076 0.228359 Rho 0.5519422E-02 |GRAD(Rho)| 0.8639784E-13 GRAD(Rho)x -0.2424366E-13 GRAD(Rho)y 0.5980748E-13 GRAD(Rho)z 0.5744473E-13 Laplacian 0.2107751E-01 (-1/4)Del**2(Rho)) -0.5269378E-02 Diamond 0.4993233E-03 Metallicity 0.5635725E+00 Ellipticity -0.2767826E+01 Gb(Abramov) 0.4007865E-02 Vb(Abramov) -0.2746352E-02 Hb(Abramov) 0.1261513E-02 Ex_ueg -0.7204047E-03 Ec_ueg -0.1693337E-03 Delta_ex -0.1017757E-02 Delta_ec 0.5735124E-03 Delta_et -0.3244415E-02 Pxc 0.4254350E+01 Qxc -0.1774604E+01 3,+1 61 3 +1 -0.586499 1.644683 -0.544007 Rho 0.8323709E-02 |GRAD(Rho)| 0.5168213E-17 GRAD(Rho)x 0.4634385E-17 GRAD(Rho)y 0.1585679E-17 GRAD(Rho)z -0.1648794E-17 Laplacian 0.3165403E-01 (-1/4)Del**2(Rho)) -0.7913507E-02 Diamond 0.8122373E-03 Metallicity 0.7442388E+00 Ellipticity -0.1462225E+01 Gb(Abramov) 0.6257261E-02 Vb(Abramov) -0.4601015E-02 Hb(Abramov) 0.1656246E-02 Ex_ueg -0.1245874E-02 Ec_ueg -0.2926351E-03 Delta_ex -0.1435133E-02 Delta_ec 0.4471034E-03 Delta_et -0.3028976E-02 Pxc 0.4257433E+01 Qxc -0.3209847E+01 3,+1 62 3 +1 -1.252205 2.213734 1.258096 Rho 0.2428119E-01 |GRAD(Rho)| 0.1164224E-14 GRAD(Rho)x -0.4284254E-15 GRAD(Rho)y 0.1075060E-14 GRAD(Rho)z 0.1269407E-15 Laplacian 0.8892002E-01 (-1/4)Del**2(Rho)) -0.2223000E-01 Diamond 0.1193098E-01 Metallicity 0.1577842E+01 Ellipticity -0.1471291E+02 Gb(Abramov) 0.2066591E-01 Vb(Abramov) -0.1910181E-01 Hb(Abramov) 0.1564095E-02 Ex_ueg -0.5192921E-02 Ec_ueg -0.1052592E-02 Delta_ex -0.5573158E-02 Delta_ec 0.1661914E-02 Delta_et -0.1452689E-01 Pxc 0.4933462E+01 Qxc -0.3353457E+01 3,+1 63 3 -1 -1.764178 1.716428 0.555251 Rho 0.4351905E-01 |GRAD(Rho)| 0.2340872E-14 GRAD(Rho)x -0.1805303E-14 GRAD(Rho)y 0.1353070E-14 GRAD(Rho)z -0.6243107E-15 Laplacian 0.1833906E+00 (-1/4)Del**2(Rho)) -0.4584764E-01 Diamond 0.8257306E-01 Metallicity 0.2023183E+01 Ellipticity 0.2008326E-01 Gb(Abramov) 0.4602479E-01 Vb(Abramov) -0.4620194E-01 Hb(Abramov) -0.1771474E-03 Ex_ueg -0.1130553E-01 Ec_ueg -0.2059894E-02 Delta_ex -0.1486964E-01 Delta_ec 0.5988053E-02 Delta_et -0.6096179E-01 Pxc 0.5488405E+01 Qxc -0.2483218E+01 3,-1 64 3 -1 -3.084103 -2.019069 -0.892344 Rho 0.1039971E+00 |GRAD(Rho)| 0.1655984E-12 GRAD(Rho)x 0.8588560E-13 GRAD(Rho)y -0.7205040E-13 GRAD(Rho)z 0.1218821E-12 Laplacian 0.4268832E+00 (-1/4)Del**2(Rho)) -0.1067208E+00 Diamond 0.5748070E+00 Metallicity 0.3712556E+01 Ellipticity 0.3598755E-01 Gb(Abramov) 0.1371817E+00 Vb(Abramov) -0.1676426E+00 Hb(Abramov) -0.3046090E-01 Ex_ueg -0.3611993E-01 Ec_ueg -0.5567814E-02 Delta_ex -0.4227855E-01 Delta_ec 0.1232766E-01 Delta_et -0.1550043E+00 Pxc 0.6487273E+01 Qxc -0.3429567E+01 3,-1 65 3 -1 -3.095466 -0.899916 -2.086107 Rho 0.1496163E+00 |GRAD(Rho)| 0.1459807E-15 GRAD(Rho)x 0.3794708E-18 GRAD(Rho)y -0.1337905E-15 GRAD(Rho)z -0.5839784E-16 Laplacian 0.5598845E+00 (-1/4)Del**2(Rho)) -0.1399711E+00 Diamond 0.1143784E+01 Metallicity 0.5189749E+01 Ellipticity 0.2997626E-01 Gb(Abramov) 0.2143833E+00 Vb(Abramov) -0.2887954E+00 Hb(Abramov) -0.7441214E-01 Ex_ueg -0.5866203E-01 Ec_ueg -0.8418958E-02 Delta_ex -0.6021506E-01 Delta_ec 0.1444058E-01 Delta_et -0.1926834E+00 Pxc 0.6967849E+01 Qxc -0.4169849E+01 3,-1 66 3 -1 -3.272156 3.227963 -0.083670 Rho 0.1899991E+00 |GRAD(Rho)| 0.5402347E-15 GRAD(Rho)x -0.7909255E-16 GRAD(Rho)y 0.5125566E-15 GRAD(Rho)z -0.1512733E-15 Laplacian 0.7274762E+00 (-1/4)Del**2(Rho)) -0.1818691E+00 Diamond 0.1953606E+01 Metallicity 0.5948127E+01 Ellipticity 0.3364250E-02 Gb(Abramov) 0.3015428E+00 Vb(Abramov) -0.4212165E+00 Hb(Abramov) -0.1196737E+00 Ex_ueg -0.8067156E-01 Ec_ueg -0.1105156E-01 Delta_ex -0.8283917E-01 Delta_ec 0.1730627E-01 Delta_et -0.2366668E+00 Pxc 0.7299565E+01 Qxc -0.4786657E+01 3,-1 67 3 +1 0.534492 0.478587 1.692573 Rho 0.7306631E-02 |GRAD(Rho)| 0.1352287E-11 GRAD(Rho)x -0.2727025E-12 GRAD(Rho)y -0.1215966E-11 GRAD(Rho)z 0.5251090E-12 Laplacian 0.2806870E-01 (-1/4)Del**2(Rho)) -0.7017174E-02 Diamond 0.6061845E-03 Metallicity 0.6754391E+00 Ellipticity -0.1406143E+01 Gb(Abramov) 0.5468062E-02 Vb(Abramov) -0.3918949E-02 Hb(Abramov) 0.1549112E-02 Ex_ueg -0.1047148E-02 Ec_ueg -0.2474882E-03 Delta_ex -0.1233356E-02 Delta_ec 0.3994640E-03 Delta_et -0.2613872E-02 Pxc 0.4231101E+01 Qxc -0.3087528E+01 3,+1 68 3 -1 -3.010631 0.001235 0.061592 Rho 0.5556347E-02 |GRAD(Rho)| 0.8847938E-17 GRAD(Rho)x 0.6651643E-18 GRAD(Rho)y 0.6537259E-17 GRAD(Rho)z -0.5925184E-17 Laplacian 0.2084120E-01 (-1/4)Del**2(Rho)) -0.5210299E-02 Diamond 0.6090429E-03 Metallicity 0.5763320E+00 Ellipticity 0.2254573E+01 Gb(Abramov) 0.3974010E-02 Vb(Abramov) -0.2737721E-02 Hb(Abramov) 0.1236289E-02 Ex_ueg -0.7268378E-03 Ec_ueg -0.1709327E-03 Delta_ex -0.1097163E-02 Delta_ec 0.7267623E-03 Delta_et -0.4045718E-02 Pxc 0.4252187E+01 Qxc -0.1509659E+01 3,-1 69 3 -1 -2.868520 -0.564307 1.887534 Rho 0.1197584E+00 |GRAD(Rho)| 0.4143610E-15 GRAD(Rho)x -0.2595444E-15 GRAD(Rho)y 0.2470355E-15 GRAD(Rho)z 0.2080991E-15 Laplacian 0.5037094E+00 (-1/4)Del**2(Rho)) -0.1259274E+00 Diamond 0.8001502E+00 Metallicity 0.3980548E+01 Ellipticity 0.2215887E-01 Gb(Abramov) 0.1674949E+00 Vb(Abramov) -0.2090624E+00 Hb(Abramov) -0.4156752E-01 Ex_ueg -0.4359729E-01 Ec_ueg -0.6536766E-02 Delta_ex -0.5151079E-01 Delta_ec 0.1400477E-01 Delta_et -0.1807830E+00 Pxc 0.6669550E+01 Qxc -0.3678089E+01 3,-1 70 3 +3 -1.135520 1.125327 -1.143879 Rho 0.5275709E-02 |GRAD(Rho)| 0.1099819E-12 GRAD(Rho)x -0.1439189E-13 GRAD(Rho)y -0.7613434E-13 GRAD(Rho)z 0.7805419E-13 Laplacian 0.2034711E-01 (-1/4)Del**2(Rho)) -0.5086777E-02 Diamond 0.1509833E-03 Metallicity 0.5414752E+00 Ellipticity -0.2809308E+00 Gb(Abramov) 0.3850245E-02 Vb(Abramov) -0.2613714E-02 Hb(Abramov) 0.1236532E-02 Ex_ueg -0.6783069E-03 Ec_ueg -0.1587969E-03 Delta_ex -0.7118618E-03 Delta_ec 0.8661366E-04 Delta_et -0.7006399E-03 Pxc 0.4271536E+01 Qxc -0.8218817E+01 3,+3 71 3 -1 -1.834119 -0.584782 -1.787584 Rho 0.4690907E-01 |GRAD(Rho)| 0.1366933E-15 GRAD(Rho)x 0.1086455E-15 GRAD(Rho)y -0.2771365E-16 GRAD(Rho)z 0.7818665E-16 Laplacian 0.1831202E+00 (-1/4)Del**2(Rho)) -0.4578006E-01 Diamond 0.8586726E-01 Metallicity 0.2295998E+01 Ellipticity 0.2416255E-01 Gb(Abramov) 0.4803853E-01 Vb(Abramov) -0.5029700E-01 Hb(Abramov) -0.2258470E-02 Ex_ueg -0.1249475E-01 Ec_ueg -0.2244745E-02 Delta_ex -0.1486868E-01 Delta_ec 0.5521847E-02 Delta_et -0.5727451E-01 Pxc 0.5566223E+01 Qxc -0.2692701E+01 3,-1 72 3 +1 1.619446 -2.194911 -2.134891 Rho 0.5723838E-02 |GRAD(Rho)| 0.8774347E-17 GRAD(Rho)x 0.3985346E-17 GRAD(Rho)y -0.5056645E-17 GRAD(Rho)z 0.5961252E-17 Laplacian 0.2259371E-01 (-1/4)Del**2(Rho)) -0.5648428E-02 Diamond 0.6080947E-03 Metallicity 0.5586045E+00 Ellipticity -0.3162091E+01 Gb(Abramov) 0.4291492E-02 Vb(Abramov) -0.2934555E-02 Hb(Abramov) 0.1356936E-02 Ex_ueg -0.7561967E-03 Ec_ueg -0.1781943E-03 Delta_ex -0.1134831E-02 Delta_ec 0.6784286E-03 Delta_et -0.3850019E-02 Pxc 0.4243665E+01 Qxc -0.1672735E+01 3,+1 73 3 -1 -3.298997 -0.041011 3.326899 Rho 0.1918190E+00 |GRAD(Rho)| 0.1930639E-14 GRAD(Rho)x -0.1466004E-14 GRAD(Rho)y -0.1207218E-14 GRAD(Rho)z -0.3475952E-15 Laplacian 0.7284919E+00 (-1/4)Del**2(Rho)) -0.1821230E+00 Diamond 0.1982073E+01 Metallicity 0.6034962E+01 Ellipticity 0.1637207E-02 Gb(Abramov) 0.3045995E+00 Vb(Abramov) -0.4270761E+00 Hb(Abramov) -0.1224766E+00 Ex_ueg -0.8170350E-01 Ec_ueg -0.1117242E-01 Delta_ex -0.8317873E-01 Delta_ec 0.1732711E-01 Delta_et -0.2372937E+00 Pxc 0.7312964E+01 Qxc -0.4800495E+01 3,-1 74 3 -1 -3.360318 0.160602 -3.175173 Rho 0.2111353E+00 |GRAD(Rho)| 0.1779925E-14 GRAD(Rho)x 0.1215662E-14 GRAD(Rho)y 0.1188069E-14 GRAD(Rho)z -0.5280065E-15 Laplacian 0.7785322E+00 (-1/4)Del**2(Rho)) -0.1946330E+00 Diamond 0.2376425E+01 Metallicity 0.6626303E+01 Ellipticity 0.2182771E-01 Gb(Abramov) 0.3447050E+00 Vb(Abramov) -0.4947769E+00 Hb(Abramov) -0.1500719E+00 Ex_ueg -0.9285376E-01 Ec_ueg -0.1246665E-01 Delta_ex -0.9109220E-01 Delta_ec 0.1802925E-01 Delta_et -0.2488117E+00 Pxc 0.7448175E+01 Qxc -0.5052469E+01 3,-1 75 3 -1 -2.819544 0.517702 -1.843343 Rho 0.1139189E+00 |GRAD(Rho)| 0.2092000E-12 GRAD(Rho)x 0.2130153E-13 GRAD(Rho)y -0.1363750E-12 GRAD(Rho)z -0.1572029E-12 Laplacian 0.4839152E+00 (-1/4)Del**2(Rho)) -0.1209788E+00 Diamond 0.7012246E+00 Metallicity 0.3812153E+01 Ellipticity 0.5764812E-02 Gb(Abramov) 0.1575175E+00 Vb(Abramov) -0.1940562E+00 Hb(Abramov) -0.3653869E-01 Ex_ueg -0.4078617E-01 Ec_ueg -0.6175664E-02 Delta_ex -0.4858209E-01 Delta_ec 0.1302798E-01 Delta_et -0.1657796E+00 Pxc 0.6604337E+01 Qxc -0.3729057E+01 3,-1 76 3 +1 0.005364 -3.233375 0.025035 Rho 0.4376271E-02 |GRAD(Rho)| 0.7592047E-18 GRAD(Rho)x -0.3416715E-18 GRAD(Rho)y 0.2546454E-18 GRAD(Rho)z 0.6283375E-18 Laplacian 0.1639122E-01 (-1/4)Del**2(Rho)) -0.4097805E-02 Diamond 0.3139321E-03 Metallicity 0.4922384E+00 Ellipticity -0.3017389E+01 Gb(Abramov) 0.3068053E-02 Vb(Abramov) -0.2038301E-02 Hb(Abramov) 0.1029752E-02 Ex_ueg -0.5286773E-03 Ec_ueg -0.1201707E-03 Delta_ex -0.7882112E-03 Delta_ec 0.5049534E-03 Delta_et -0.2639193E-02 Pxc 0.4399385E+01 Qxc -0.1560958E+01 3,+1 77 3 -1 -3.098873 0.888826 2.080092 Rho 0.1183188E+00 |GRAD(Rho)| 0.3788799E-15 GRAD(Rho)x 0.3295975E-16 GRAD(Rho)y -0.3022214E-15 GRAD(Rho)z 0.2261104E-15 Laplacian 0.4812043E+00 (-1/4)Del**2(Rho)) -0.1203011E+00 Diamond 0.7495363E+00 Metallicity 0.4083568E+01 Ellipticity 0.1009961E-01 Gb(Abramov) 0.1620770E+00 Vb(Abramov) -0.2038529E+00 Hb(Abramov) -0.4177591E-01 Ex_ueg -0.4289993E-01 Ec_ueg -0.6447520E-02 Delta_ex -0.4901669E-01 Delta_ec 0.1332279E-01 Delta_et -0.1714559E+00 Pxc 0.6653710E+01 Qxc -0.3679161E+01 3,-1 78 3 -1 -2.051959 -3.171945 -0.776988 Rho 0.1100570E+00 |GRAD(Rho)| 0.2091494E-14 GRAD(Rho)x 0.8151574E-15 GRAD(Rho)y 0.1887576E-14 GRAD(Rho)z -0.3833061E-15 Laplacian 0.4301976E+00 (-1/4)Del**2(Rho)) -0.1075494E+00 Diamond 0.6261993E+00 Metallicity 0.4048628E+01 Ellipticity 0.9026439E-01 Gb(Abramov) 0.1442708E+00 Vb(Abramov) -0.1809923E+00 Hb(Abramov) -0.3672145E-01 Ex_ueg -0.3895309E-01 Ec_ueg -0.5938195E-02 Delta_ex -0.4326205E-01 Delta_ec 0.1243066E-01 Delta_et -0.1582764E+00 Pxc 0.6559752E+01 Qxc -0.3480269E+01 3,-1 79 3 +3 -2.381944 -0.009627 0.077266 Rho 0.4707134E-02 |GRAD(Rho)| 0.1772189E-14 GRAD(Rho)x 0.1363742E-14 GRAD(Rho)y 0.2366301E-15 GRAD(Rho)z 0.1106737E-14 Laplacian 0.1877660E-01 (-1/4)Del**2(Rho)) -0.4694151E-02 Diamond 0.1639515E-03 Metallicity 0.4852032E+00 Ellipticity -0.3211767E+00 Gb(Abramov) 0.3509037E-02 Vb(Abramov) -0.2323923E-02 Hb(Abramov) 0.1185114E-02 Ex_ueg -0.5826312E-03 Ec_ueg -0.1343314E-03 Delta_ex -0.6814638E-03 Delta_ec 0.1603845E-03 Delta_et -0.1030650E-02 Pxc 0.4337267E+01 Qxc -0.4248939E+01 3,+3 80 3 +1 -2.057389 2.050294 2.067180 Rho 0.1131663E-01 |GRAD(Rho)| 0.1547017E-16 GRAD(Rho)x 0.5836076E-17 GRAD(Rho)y -0.6781106E-17 GRAD(Rho)z -0.1262073E-16 Laplacian 0.4463743E-01 (-1/4)Del**2(Rho)) -0.1115936E-01 Diamond 0.1093264E-02 Metallicity 0.8805944E+00 Ellipticity -0.1087767E+01 Gb(Abramov) 0.9077382E-02 Vb(Abramov) -0.6995408E-02 Hb(Abramov) 0.2081974E-02 Ex_ueg -0.1876468E-02 Ec_ueg -0.4281149E-03 Delta_ex -0.1986409E-02 Delta_ec 0.2685156E-03 Delta_et -0.2230784E-02 Pxc 0.4383095E+01 Qxc -0.7397739E+01 3,+1 81 3 -1 -2.811818 1.788585 -0.544228 Rho 0.1400288E+00 |GRAD(Rho)| 0.1182424E-15 GRAD(Rho)x -0.1936656E-16 GRAD(Rho)y 0.1125673E-15 GRAD(Rho)z -0.3057450E-16 Laplacian 0.5899645E+00 (-1/4)Del**2(Rho)) -0.1474911E+00 Diamond 0.1120647E+01 Metallicity 0.4410450E+01 Ellipticity 0.1748063E-01 Gb(Abramov) 0.2067444E+00 Vb(Abramov) -0.2659978E+00 Hb(Abramov) -0.5925332E-01 Ex_ueg -0.5370419E-01 Ec_ueg -0.7808301E-02 Delta_ex -0.6251640E-01 Delta_ec 0.1561205E-01 Delta_et -0.2065743E+00 Pxc 0.6877833E+01 Qxc -0.4004368E+01 3,-1 82 3 +3 -1.984215 1.973994 1.992707 Rho 0.1129430E-01 |GRAD(Rho)| 0.6488072E-15 GRAD(Rho)x 0.3703571E-15 GRAD(Rho)y -0.3742605E-15 GRAD(Rho)z -0.3790983E-15 Laplacian 0.4415175E-01 (-1/4)Del**2(Rho)) -0.1103794E-01 Diamond 0.8749030E-03 Metallicity 0.8873550E+00 Ellipticity -0.8802067E+00 Gb(Abramov) 0.8991053E-02 Vb(Abramov) -0.6944169E-02 Hb(Abramov) 0.2046884E-02 Ex_ueg -0.1871533E-02 Ec_ueg -0.4270902E-03 Delta_ex -0.1899930E-02 Delta_ec 0.1517612E-03 Delta_et -0.1455033E-02 Pxc 0.4382055E+01 Qxc -0.1251921E+02 3,+3 83 3 +1 0.541013 1.667089 0.488251 Rho 0.7355862E-02 |GRAD(Rho)| 0.1085910E-10 GRAD(Rho)x 0.2961209E-11 GRAD(Rho)y -0.4376453E-11 GRAD(Rho)z -0.9486725E-11 Laplacian 0.2766176E-01 (-1/4)Del**2(Rho)) -0.6915439E-02 Diamond 0.6017335E-03 Metallicity 0.6930896E+00 Ellipticity -0.1429978E+01 Gb(Abramov) 0.5409129E-02 Vb(Abramov) -0.3902819E-02 Hb(Abramov) 0.1506310E-02 Ex_ueg -0.1056566E-02 Ec_ueg -0.2496626E-03 Delta_ex -0.1216875E-02 Delta_ec 0.3925409E-03 Delta_et -0.2574016E-02 Pxc 0.4231974E+01 Qxc -0.3099994E+01 3,+1 84 3 +1 -1.829424 -1.807192 1.854531 Rho 0.1117594E-01 |GRAD(Rho)| 0.6773346E-17 GRAD(Rho)x -0.5854308E-17 GRAD(Rho)y 0.3392161E-17 GRAD(Rho)z 0.3138972E-18 Laplacian 0.5003877E-01 (-1/4)Del**2(Rho)) -0.1250969E-01 Diamond 0.1665021E-02 Metallicity 0.7693306E+00 Ellipticity -0.1248637E+01 Gb(Abramov) 0.9943810E-02 Vb(Abramov) -0.7377928E-02 Hb(Abramov) 0.2565883E-02 Ex_ueg -0.1845427E-02 Ec_ueg -0.4216622E-03 Delta_ex -0.2365174E-02 Delta_ec 0.5622830E-03 Delta_et -0.4212676E-02 Pxc 0.4376554E+01 Qxc -0.4206377E+01 3,+1 85 3 +1 -2.304112 -1.429155 -1.111603 Rho 0.2787777E-01 |GRAD(Rho)| 0.5299618E-16 GRAD(Rho)x 0.3345087E-16 GRAD(Rho)y 0.4049413E-16 GRAD(Rho)z 0.7061151E-17 Laplacian 0.1098766E+00 (-1/4)Del**2(Rho)) -0.2746914E-01 Diamond 0.1610141E-01 Metallicity 0.1607453E+01 Ellipticity -0.3380582E+01 Gb(Abramov) 0.2567198E-01 Vb(Abramov) -0.2387483E-01 Hb(Abramov) 0.1797157E-02 Ex_ueg -0.6243035E-02 Ec_ueg -0.1234669E-02 Delta_ex -0.6980275E-02 Delta_ec 0.1764615E-02 Delta_et -0.1600842E-01 Pxc 0.5056444E+01 Qxc -0.3955692E+01 3,+1 86 3 -1 -1.819457 2.790658 -0.565823 Rho 0.1042177E+00 |GRAD(Rho)| 0.1202195E-13 GRAD(Rho)x -0.1036097E-13 GRAD(Rho)y 0.3937097E-14 GRAD(Rho)z 0.4655835E-14 Laplacian 0.4473872E+00 (-1/4)Del**2(Rho)) -0.1118468E+00 Diamond 0.6068639E+00 Metallicity 0.3554938E+01 Ellipticity 0.1149829E-01 Gb(Abramov) 0.1408326E+00 Vb(Abramov) -0.1698184E+00 Hb(Abramov) -0.2898581E-01 Ex_ueg -0.3622211E-01 Ec_ueg -0.5581246E-02 Delta_ex -0.4437807E-01 Delta_ec 0.1299782E-01 Delta_et -0.1636054E+00 Pxc 0.6489968E+01 Qxc -0.3414272E+01 3,-1 87 3 -1 -2.040001 3.050980 0.883965 Rho 0.1155696E+00 |GRAD(Rho)| 0.5848716E-15 GRAD(Rho)x -0.4929596E-15 GRAD(Rho)y -0.2163322E-15 GRAD(Rho)z -0.2286176E-15 Laplacian 0.4728868E+00 (-1/4)Del**2(Rho)) -0.1182217E+00 Diamond 0.7125281E+00 Metallicity 0.3995723E+01 Ellipticity 0.1031670E-01 Gb(Abramov) 0.1575447E+00 Vb(Abramov) -0.1968676E+00 Hb(Abramov) -0.3932296E-01 Ex_ueg -0.4157605E-01 Ec_ueg -0.6277494E-02 Delta_ex -0.4785339E-01 Delta_ec 0.1307459E-01 Delta_et -0.1674045E+00 Pxc 0.6623033E+01 Qxc -0.3660030E+01 3,-1 88 3 +1 -0.645063 -1.734549 0.546142 Rho 0.8013900E-02 |GRAD(Rho)| 0.1368542E-13 GRAD(Rho)x -0.1314099E-13 GRAD(Rho)y -0.3395546E-14 GRAD(Rho)z 0.1753712E-14 Laplacian 0.2915634E-01 (-1/4)Del**2(Rho)) -0.7289085E-02 Diamond 0.6818457E-03 Metallicity 0.7584960E+00 Ellipticity -0.1451924E+01 Gb(Abramov) 0.5780847E-02 Vb(Abramov) -0.4272609E-02 Hb(Abramov) 0.1508238E-02 Ex_ueg -0.1184432E-02 Ec_ueg -0.2788331E-03 Delta_ex -0.1295152E-02 Delta_ec 0.3865124E-03 Delta_et -0.2613880E-02 Pxc 0.4247818E+01 Qxc -0.3350867E+01 3,+1 89 3 +3 -1.156060 -1.137425 1.208690 Rho 0.4783240E-02 |GRAD(Rho)| 0.5327040E-17 GRAD(Rho)x 0.4618038E-17 GRAD(Rho)y -0.8749114E-18 GRAD(Rho)z 0.2507112E-17 Laplacian 0.1712739E-01 (-1/4)Del**2(Rho)) -0.4281848E-02 Diamond 0.1075097E-03 Metallicity 0.5463349E+00 Ellipticity -0.1662782E+00 Gb(Abramov) 0.3244453E-02 Vb(Abramov) -0.2207057E-02 Hb(Abramov) 0.1037396E-02 Ex_ueg -0.5952252E-03 Ec_ueg -0.1375967E-03 Delta_ex -0.5795350E-03 Delta_ec 0.6655852E-04 Delta_et -0.5487156E-03 Pxc 0.4325868E+01 Qxc -0.8707151E+01 3,+3 90 3 -1 -2.236869 -0.786327 -3.275019 Rho 0.2103248E+00 |GRAD(Rho)| 0.1870638E-15 GRAD(Rho)x 0.1004513E-15 GRAD(Rho)y 0.1599198E-16 GRAD(Rho)z 0.1569925E-15 Laplacian 0.8421803E+00 (-1/4)Del**2(Rho)) -0.2105451E+00 Diamond 0.2499670E+01 Metallicity 0.6086379E+01 Ellipticity 0.5001312E-02 Gb(Abramov) 0.3539396E+00 Vb(Abramov) -0.4973341E+00 Hb(Abramov) -0.1433945E+00 Ex_ueg -0.9237883E-01 Ec_ueg -0.1241193E-01 Delta_ex -0.9806648E-01 Delta_ec 0.1885350E-01 Delta_et -0.2576450E+00 Pxc 0.7442747E+01 Qxc -0.5201501E+01 3,-1 91 3 +1 -0.193166 3.002948 0.191742 Rho 0.5499836E-02 |GRAD(Rho)| 0.5903985E-18 GRAD(Rho)x 0.4009186E-18 GRAD(Rho)y 0.3899867E-19 GRAD(Rho)z 0.4316408E-18 Laplacian 0.2120930E-01 (-1/4)Del**2(Rho)) -0.5302324E-02 Diamond 0.4898214E-03 Metallicity 0.5567623E+00 Ellipticity -0.2358755E+01 Gb(Abramov) 0.4026905E-02 Vb(Abramov) -0.2751486E-02 Hb(Abramov) 0.1275419E-02 Ex_ueg -0.7169982E-03 Ec_ueg -0.1684858E-03 Delta_ex -0.1015012E-02 Delta_ec 0.5621698E-03 Delta_et -0.3183820E-02 Pxc 0.4255541E+01 Qxc -0.1805525E+01 3,+1 92 3 +1 -0.593385 -0.594130 1.728052 Rho 0.7202429E-02 |GRAD(Rho)| 0.6240586E-17 GRAD(Rho)x -0.4209450E-17 GRAD(Rho)y 0.4290906E-17 GRAD(Rho)z 0.1677368E-17 Laplacian 0.2651248E-01 (-1/4)Del**2(Rho)) -0.6628119E-02 Diamond 0.5403118E-03 Metallicity 0.6981700E+00 Ellipticity -0.1403913E+01 Gb(Abramov) 0.5190005E-02 Vb(Abramov) -0.3751891E-02 Hb(Abramov) 0.1438114E-02 Ex_ueg -0.1027284E-02 Ec_ueg -0.2428897E-03 Delta_ex -0.1148726E-02 Delta_ec 0.3557205E-03 Delta_et -0.2337127E-02 Pxc 0.4229424E+01 Qxc -0.3229294E+01 3,+1 93 3 -1 -1.857994 0.524344 -2.829205 Rho 0.1202593E+00 |GRAD(Rho)| 0.1427547E-15 GRAD(Rho)x -0.7144892E-16 GRAD(Rho)y -0.1127706E-15 GRAD(Rho)z -0.5056448E-16 Laplacian 0.4897919E+00 (-1/4)Del**2(Rho)) -0.1224480E+00 Diamond 0.7647578E+00 Metallicity 0.4122237E+01 Ellipticity 0.1549389E-01 Gb(Abramov) 0.1657586E+00 Vb(Abramov) -0.2090692E+00 Hb(Abramov) -0.4331060E-01 Ex_ueg -0.4384063E-01 Ec_ueg -0.6567858E-02 Delta_ex -0.4990697E-01 Delta_ec 0.1319405E-01 Delta_et -0.1697931E+00 Pxc 0.6675027E+01 Qxc -0.3782536E+01 3,-1 94 3 +1 -0.632926 0.482096 -1.688303 Rho 0.8754087E-02 |GRAD(Rho)| 0.3992840E-15 GRAD(Rho)x 0.1122751E-15 GRAD(Rho)y 0.3452386E-15 GRAD(Rho)z -0.1662298E-15 Laplacian 0.3417050E-01 (-1/4)Del**2(Rho)) -0.8542625E-02 Diamond 0.9763944E-03 Metallicity 0.7498595E+00 Ellipticity -0.1501659E+01 Gb(Abramov) 0.6762712E-02 Vb(Abramov) -0.4982798E-02 Hb(Abramov) 0.1779914E-02 Ex_ueg -0.1332497E-02 Ec_ueg -0.3118796E-03 Delta_ex -0.1585481E-02 Delta_ec 0.5119015E-03 Delta_et -0.3489728E-02 Pxc 0.4272471E+01 Qxc -0.3097239E+01 3,+1 95 3 +1 -0.142446 0.107697 3.073627 Rho 0.4899702E-02 |GRAD(Rho)| 0.8727957E-17 GRAD(Rho)x 0.6408913E-18 GRAD(Rho)y 0.8704395E-17 GRAD(Rho)z 0.3428471E-20 Laplacian 0.1874044E-01 (-1/4)Del**2(Rho)) -0.4685109E-02 Diamond 0.4086317E-03 Metallicity 0.5197361E+00 Ellipticity -0.3288131E+01 Gb(Abramov) 0.3529243E-02 Vb(Abramov) -0.2373377E-02 Hb(Abramov) 0.1155866E-02 Ex_ueg -0.6146265E-03 Ec_ueg -0.1425991E-03 Delta_ex -0.9122387E-03 Delta_ec 0.5617567E-03 Delta_et -0.3043791E-02 Pxc 0.4310170E+01 Qxc -0.1623903E+01 3,+1 96 3 -1 -1.874087 -2.853069 0.619189 Rho 0.1222637E+00 |GRAD(Rho)| 0.2508746E-12 GRAD(Rho)x -0.1820997E-12 GRAD(Rho)y 0.5273106E-13 GRAD(Rho)z -0.1643083E-12 Laplacian 0.5095021E+00 (-1/4)Del**2(Rho)) -0.1273755E+00 Diamond 0.8295066E+00 Metallicity 0.4073459E+01 Ellipticity 0.2755675E-01 Gb(Abramov) 0.1713935E+00 Vb(Abramov) -0.2154115E+00 Hb(Abramov) -0.4401798E-01 Ex_ueg -0.4481760E-01 Ec_ueg -0.6692430E-02 Delta_ex -0.5235592E-01 Delta_ec 0.1409269E-01 Delta_et -0.1825881E+00 Pxc 0.6696761E+01 Qxc -0.3715111E+01 3,-1 97 3 +1 -1.766138 1.758150 -1.763672 Rho 0.1183371E-01 |GRAD(Rho)| 0.2290053E-16 GRAD(Rho)x 0.2948635E-17 GRAD(Rho)y 0.8906561E-17 GRAD(Rho)z 0.2089050E-16 Laplacian 0.5683124E-01 (-1/4)Del**2(Rho)) -0.1420781E-01 Diamond 0.2152407E-02 Metallicity 0.7451225E+00 Ellipticity -0.1256459E+01 Gb(Abramov) 0.1123630E-01 Vb(Abramov) -0.8264789E-02 Hb(Abramov) 0.2971510E-02 Ex_ueg -0.1991650E-02 Ec_ueg -0.4518980E-03 Delta_ex -0.2759204E-02 Delta_ec 0.6947408E-03 Delta_et -0.5224869E-02 Pxc 0.4407300E+01 Qxc -0.3971559E+01 3,+1 98 3 +1 2.201415 0.958623 -1.504186 Rho 0.2138078E-01 |GRAD(Rho)| 0.8829483E-17 GRAD(Rho)x 0.5114890E-17 GRAD(Rho)y -0.1817208E-17 GRAD(Rho)z 0.6963865E-17 Laplacian 0.7611150E-01 (-1/4)Del**2(Rho)) -0.1902788E-01 Diamond 0.6869718E-02 Metallicity 0.1491199E+01 Ellipticity -0.2341411E+01 Gb(Abramov) 0.1741431E-01 Vb(Abramov) -0.1580074E-01 Hb(Abramov) 0.1613567E-02 Ex_ueg -0.4382782E-02 Ec_ueg -0.9082779E-03 Delta_ex -0.4386145E-02 Delta_ec 0.1014962E-02 Delta_et -0.8711380E-02 Pxc 0.4825375E+01 Qxc -0.4321485E+01 3,+1 99 3 -1 -0.214617 -1.289102 -3.679116 Rho 0.3960175E-02 |GRAD(Rho)| 0.6285504E-18 GRAD(Rho)x 0.3421209E-18 GRAD(Rho)y 0.1535772E-18 GRAD(Rho)z 0.5044234E-18 Laplacian 0.1306386E-01 (-1/4)Del**2(Rho)) -0.3265966E-02 Diamond 0.3249535E-03 Metallicity 0.5228761E+00 Ellipticity 0.6284062E-01 Gb(Abramov) 0.2461926E-02 Vb(Abramov) -0.1657887E-02 Hb(Abramov) 0.8040393E-03 Ex_ueg -0.4627405E-03 Ec_ueg -0.1024430E-03 Delta_ex -0.7509769E-03 Delta_ec 0.6426287E-03 Delta_et -0.3158169E-02 Pxc 0.4517052E+01 Qxc -0.1168602E+01 3,-1 100 3 +1 -0.239227 -1.069390 -2.730521 Rho 0.2310472E-02 |GRAD(Rho)| 0.7139602E-15 GRAD(Rho)x -0.6166669E-15 GRAD(Rho)y -0.2626847E-16 GRAD(Rho)z 0.3588469E-15 Laplacian 0.8526488E-02 (-1/4)Del**2(Rho)) -0.2131622E-02 Diamond 0.5308699E-04 Metallicity 0.3263454E+00 Ellipticity -0.1299415E+01 Gb(Abramov) 0.1537022E-02 Vb(Abramov) -0.9424224E-03 Hb(Abramov) 0.5945998E-03 Ex_ueg -0.2255897E-03 Ec_ueg -0.3307351E-04 Delta_ex -0.3229849E-03 Delta_ec 0.1872476E-03 Delta_et -0.8385108E-03 Pxc 0.6820859E+01 Qxc -0.1724908E+01 3,+1 101 3 -1 -0.874205 3.080043 2.023312 Rho 0.1276513E+00 |GRAD(Rho)| 0.2490101E-15 GRAD(Rho)x -0.1461505E-15 GRAD(Rho)y 0.1856425E-15 GRAD(Rho)z -0.7863176E-16 Laplacian 0.5104903E+00 (-1/4)Del**2(Rho)) -0.1276226E+00 Diamond 0.8714384E+00 Metallicity 0.4368523E+01 Ellipticity 0.1157564E-01 Gb(Abramov) 0.1780021E+00 Vb(Abramov) -0.2283816E+00 Hb(Abramov) -0.5037950E-01 Ex_ueg -0.4746996E-01 Ec_ueg -0.7028628E-02 Delta_ex -0.5295003E-01 Delta_ec 0.1389342E-01 Delta_et -0.1812246E+00 Pxc 0.6753803E+01 Qxc -0.3811159E+01 3,-1 102 3 -1 0.038581 2.997196 -0.030545 Rho 0.5581398E-02 |GRAD(Rho)| 0.6850639E-16 GRAD(Rho)x 0.1826390E-16 GRAD(Rho)y -0.5924525E-16 GRAD(Rho)z -0.2914713E-16 Laplacian 0.2132858E-01 (-1/4)Del**2(Rho)) -0.5332146E-02 Diamond 0.6377936E-03 Metallicity 0.5674003E+00 Ellipticity 0.3043329E+01 Gb(Abramov) 0.4059007E-02 Vb(Abramov) -0.2785869E-02 Hb(Abramov) 0.1273138E-02 Ex_ueg -0.7312105E-03 Ec_ueg -0.1720179E-03 Delta_ex -0.1132378E-02 Delta_ec 0.7591163E-03 Delta_et -0.4226054E-02 Pxc 0.4250781E+01 Qxc -0.1491706E+01 3,-1 103 3 +3 0.020165 2.271353 -0.006062 Rho 0.4362542E-02 |GRAD(Rho)| 0.1125250E-15 GRAD(Rho)x 0.6979454E-16 GRAD(Rho)y -0.7303610E-16 GRAD(Rho)z -0.4956129E-16 Laplacian 0.1745056E-01 (-1/4)Del**2(Rho)) -0.4362641E-02 Diamond 0.1277478E-03 Metallicity 0.4599421E+00 Ellipticity -0.2883153E+00 Gb(Abramov) 0.3242854E-02 Vb(Abramov) -0.2123068E-02 Hb(Abramov) 0.1119786E-02 Ex_ueg -0.5264671E-03 Ec_ueg -0.1195844E-03 Delta_ex -0.6102596E-03 Delta_ec 0.1298167E-03 Delta_et -0.8485261E-03 Pxc 0.4402474E+01 Qxc -0.4700932E+01 3,+3 104 3 -1 -0.584505 -0.525050 -0.516182 Rho 0.1848085E+00 |GRAD(Rho)| 0.5126453E-15 GRAD(Rho)x 0.3677614E-15 GRAD(Rho)y 0.2740863E-15 GRAD(Rho)z 0.2289835E-15 Laplacian 0.4828366E+00 (-1/4)Del**2(Rho)) -0.1207091E+00 Diamond 0.1265818E+01 Metallicity 0.8557553E+01 Ellipticity 0.2470872E-01 Gb(Abramov) 0.2526352E+00 Vb(Abramov) -0.3845613E+00 Hb(Abramov) -0.1319261E+00 Ex_ueg -0.7774652E-01 Ec_ueg -0.1070788E-01 Delta_ex -0.5468501E-01 Delta_ec 0.1172819E-01 Delta_et -0.1604459E+00 Pxc 0.7260682E+01 Qxc -0.4662697E+01 3,-1 105 3 +1 -0.196283 -0.452323 -3.364527 Rho 0.2588663E-02 |GRAD(Rho)| 0.6723863E-15 GRAD(Rho)x 0.2239612E-16 GRAD(Rho)y -0.6595562E-15 GRAD(Rho)z -0.1287920E-15 Laplacian 0.9426714E-02 (-1/4)Del**2(Rho)) -0.2356678E-02 Diamond 0.7452144E-04 Metallicity 0.3567620E+00 Ellipticity -0.1485408E+01 Gb(Abramov) 0.1711248E-02 Vb(Abramov) -0.1065817E-02 Hb(Abramov) 0.6454306E-03 Ex_ueg -0.2625139E-03 Ec_ueg -0.4466637E-04 Delta_ex -0.3788849E-03 Delta_ec 0.2315881E-03 Delta_et -0.1057739E-02 Pxc 0.5877216E+01 Qxc -0.1636029E+01 3,+1 106 3 +3 -0.011598 -0.052696 2.357982 Rho 0.3950558E-02 |GRAD(Rho)| 0.2267671E-16 GRAD(Rho)x -0.1588906E-16 GRAD(Rho)y 0.3496334E-17 GRAD(Rho)z -0.1579704E-16 Laplacian 0.1563810E-01 (-1/4)Del**2(Rho)) -0.3909525E-02 Diamond 0.1037508E-03 Metallicity 0.4350375E+00 Ellipticity -0.2390225E+00 Gb(Abramov) 0.2889815E-02 Vb(Abramov) -0.1870105E-02 Hb(Abramov) 0.1019710E-02 Ex_ueg -0.4612429E-03 Ec_ueg -0.1020344E-03 Delta_ex -0.5376271E-03 Delta_ec 0.1247367E-03 Delta_et -0.7825734E-03 Pxc 0.4520464E+01 Qxc -0.4310095E+01 3,+3 107 3 -1 -0.523828 0.435091 0.452741 Rho 0.1742901E+00 |GRAD(Rho)| 0.1346522E-14 GRAD(Rho)x 0.7164408E-15 GRAD(Rho)y -0.8500145E-15 GRAD(Rho)z -0.7598089E-15 Laplacian 0.4419405E+00 (-1/4)Del**2(Rho)) -0.1104851E+00 Diamond 0.1089854E+01 Metallicity 0.8479506E+01 Ellipticity 0.3606147E-02 Gb(Abramov) 0.2298000E+00 Vb(Abramov) -0.3491148E+00 Hb(Abramov) -0.1193148E+00 Ex_ueg -0.7190328E-01 Ec_ueg -0.1001616E-01 Delta_ex -0.4940350E-01 Delta_ec 0.1104614E-01 Delta_et -0.1505665E+00 Pxc 0.7178726E+01 Qxc -0.4472466E+01 3,-1 108 3 +3 1.133876 1.062565 1.076118 Rho 0.4203904E-02 |GRAD(Rho)| 0.3558373E-17 GRAD(Rho)x -0.2883751E-17 GRAD(Rho)y -0.5284100E-18 GRAD(Rho)z -0.2016627E-17 Laplacian 0.1575556E-01 (-1/4)Del**2(Rho)) -0.3938890E-02 Diamond 0.9206620E-04 Metallicity 0.4789248E+00 Ellipticity -0.1300766E+00 Gb(Abramov) 0.2940332E-02 Vb(Abramov) -0.1941774E-02 Hb(Abramov) 0.9985580E-03 Ex_ueg -0.5010974E-03 Ec_ueg -0.1128161E-03 Delta_ex -0.5250701E-03 Delta_ec 0.8041491E-04 Delta_et -0.5851900E-03 Pxc 0.4441720E+01 Qxc -0.6529512E+01 3,+3 109 3 -1 -0.581396 1.785313 -2.792917 Rho 0.1438538E+00 |GRAD(Rho)| 0.1286124E-11 GRAD(Rho)x -0.8518609E-12 GRAD(Rho)y -0.9204846E-12 GRAD(Rho)z -0.2848801E-12 Laplacian 0.6022049E+00 (-1/4)Del**2(Rho)) -0.1505512E+00 Diamond 0.1150309E+01 Metallicity 0.4519301E+01 Ellipticity 0.2115375E-01 Gb(Abramov) 0.2137652E+00 Vb(Abramov) -0.2769792E+00 Hb(Abramov) -0.6321397E-01 Ex_ueg -0.5566902E-01 Ec_ueg -0.8051238E-02 Delta_ex -0.6390333E-01 Delta_ec 0.1524526E-01 Delta_et -0.2013186E+00 Pxc 0.6914343E+01 Qxc -0.4191685E+01 3,-1 110 3 -1 -0.538311 1.744860 1.747876 Rho 0.4183203E-01 |GRAD(Rho)| 0.7027267E-16 GRAD(Rho)x -0.2197606E-16 GRAD(Rho)y -0.6665895E-16 GRAD(Rho)z -0.3447424E-17 Laplacian 0.1777588E+00 (-1/4)Del**2(Rho)) -0.4443970E-01 Diamond 0.7640565E-01 Metallicity 0.1954175E+01 Ellipticity 0.1802420E-01 Gb(Abramov) 0.4410030E-01 Vb(Abramov) -0.4376089E-01 Hb(Abramov) 0.3394051E-03 Ex_ueg -0.1072499E-01 Ec_ueg -0.1968620E-02 Delta_ex -0.1430480E-01 Delta_ec 0.5859452E-02 Delta_et -0.5901908E-01 Pxc 0.5447974E+01 Qxc -0.2441321E+01 3,-1 111 3 +3 -0.056907 -2.475858 -0.184428 Rho 0.3275721E-02 |GRAD(Rho)| 0.7079307E-16 GRAD(Rho)x 0.4430547E-17 GRAD(Rho)y -0.6042839E-16 GRAD(Rho)z 0.3661201E-16 Laplacian 0.1274064E-01 (-1/4)Del**2(Rho)) -0.3185160E-02 Diamond 0.6575349E-04 Metallicity 0.3907809E+00 Ellipticity -0.2080637E+00 Gb(Abramov) 0.2330890E-02 Vb(Abramov) -0.1476620E-02 Hb(Abramov) 0.8542701E-03 Ex_ueg -0.3593030E-03 Ec_ueg -0.7348184E-04 Delta_ex -0.4178545E-03 Delta_ec 0.1021235E-03 Delta_et -0.6122468E-03 Pxc 0.4889685E+01 Qxc -0.4091661E+01 3,+3 112 3 -1 -0.619395 -2.855264 1.882717 Rho 0.1306246E+00 |GRAD(Rho)| 0.3722520E-14 GRAD(Rho)x -0.3611667E-14 GRAD(Rho)y 0.8515188E-15 GRAD(Rho)z 0.2965293E-15 Laplacian 0.5490978E+00 (-1/4)Del**2(Rho)) -0.1372744E+00 Diamond 0.9622245E+00 Metallicity 0.4220254E+01 Ellipticity 0.8498508E-02 Gb(Abramov) 0.1880718E+00 Vb(Abramov) -0.2388691E+00 Hb(Abramov) -0.5079735E-01 Ex_ueg -0.4894990E-01 Ec_ueg -0.7215003E-02 Delta_ex -0.5725214E-01 Delta_ec 0.1483318E-01 Delta_et -0.1941851E+00 Pxc 0.6784460E+01 Qxc -0.3859734E+01 3,-1 113 3 +1 0.296366 -2.047391 -0.771261 Rho 0.4513683E-02 |GRAD(Rho)| 0.1479593E-16 GRAD(Rho)x 0.9113115E-17 GRAD(Rho)y 0.5256182E-17 GRAD(Rho)z 0.1040401E-16 Laplacian 0.1704681E-01 (-1/4)Del**2(Rho)) -0.4261703E-02 Diamond 0.3244635E-03 Metallicity 0.4983353E+00 Ellipticity -0.2425362E+01 Gb(Abramov) 0.3195095E-02 Vb(Abramov) -0.2128487E-02 Hb(Abramov) 0.1066608E-02 Ex_ueg -0.5509258E-03 Ec_ueg -0.1260450E-03 Delta_ex -0.8076993E-03 Delta_ec 0.4949914E-03 Delta_et -0.2623852E-02 Pxc 0.4370866E+01 Qxc -0.1631744E+01 3,+1 114 3 +1 1.692210 0.529812 0.526355 Rho 0.6444348E-02 |GRAD(Rho)| 0.4023787E-17 GRAD(Rho)x -0.1705206E-17 GRAD(Rho)y -0.3500795E-17 GRAD(Rho)z -0.1013690E-17 Laplacian 0.2420563E-01 (-1/4)Del**2(Rho)) -0.6051407E-02 Diamond 0.4532251E-03 Metallicity 0.6353239E+00 Ellipticity -0.1410438E+01 Gb(Abramov) 0.4675038E-02 Vb(Abramov) -0.3298670E-02 Hb(Abramov) 0.1376368E-02 Ex_ueg -0.8857076E-03 Ec_ueg -0.2095889E-03 Delta_ex -0.1039331E-02 Delta_ec 0.3592071E-03 Delta_et -0.2261827E-02 Pxc 0.4225928E+01 Qxc -0.2893404E+01 3,+1 115 3 -1 -0.616555 -1.842057 2.902018 Rho 0.1330907E+00 |GRAD(Rho)| 0.5561120E-14 GRAD(Rho)x -0.9223850E-15 GRAD(Rho)y 0.4843104E-14 GRAD(Rho)z -0.2572859E-14 Laplacian 0.5599590E+00 (-1/4)Del**2(Rho)) -0.1399897E+00 Diamond 0.1003777E+01 Metallicity 0.4269428E+01 Ellipticity 0.1357367E-01 Gb(Abramov) 0.1929392E+00 Vb(Abramov) -0.2458886E+00 Hb(Abramov) -0.5294944E-01 Ex_ueg -0.5018592E-01 Ec_ueg -0.7370028E-02 Delta_ex -0.5864983E-01 Delta_ec 0.1506435E-01 Delta_et -0.1978340E+00 Pxc 0.6809462E+01 Qxc -0.3893287E+01 3,-1 116 3 -1 -0.868679 2.037846 3.072095 Rho 0.1163444E+00 |GRAD(Rho)| 0.1400337E-14 GRAD(Rho)x 0.9497340E-15 GRAD(Rho)y 0.7191920E-15 GRAD(Rho)z -0.7360106E-15 Laplacian 0.4753103E+00 (-1/4)Del**2(Rho)) -0.1188276E+00 Diamond 0.7235905E+00 Metallicity 0.4019869E+01 Ellipticity 0.9959157E-02 Gb(Abramov) 0.1588302E+00 Vb(Abramov) -0.1988329E+00 Hb(Abramov) -0.4000268E-01 Ex_ueg -0.4194811E-01 Ec_ueg -0.6325359E-02 Delta_ex -0.4819736E-01 Delta_ec 0.1316222E-01 Delta_et -0.1687954E+00 Pxc 0.6631737E+01 Qxc -0.3661797E+01 3,-1 117 3 -1 -0.549944 2.778841 -1.826971 Rho 0.1546267E+00 |GRAD(Rho)| 0.4151592E-15 GRAD(Rho)x 0.2958788E-15 GRAD(Rho)y -0.1274412E-15 GRAD(Rho)z -0.2618619E-15 Laplacian 0.6341660E+00 (-1/4)Del**2(Rho)) -0.1585415E+00 Diamond 0.1318213E+01 Metallicity 0.4840434E+01 Ellipticity 0.1148986E-01 Gb(Abramov) 0.2335959E+00 Vb(Abramov) -0.3086504E+00 Hb(Abramov) -0.7505444E-01 Ex_ueg -0.6129584E-01 Ec_ueg -0.8740343E-02 Delta_ex -0.6847452E-01 Delta_ec 0.1571802E-01 Delta_et -0.2095028E+00 Pxc 0.7012978E+01 Qxc -0.4356434E+01 3,-1 118 3 +1 0.179399 2.998641 -0.167204 Rho 0.5558989E-02 |GRAD(Rho)| 0.4166430E-17 GRAD(Rho)x -0.2575179E-17 GRAD(Rho)y -0.7598267E-18 GRAD(Rho)z -0.3185947E-17 Laplacian 0.2181538E-01 (-1/4)Del**2(Rho)) -0.5453845E-02 Diamond 0.5554787E-03 Metallicity 0.5510320E+00 Ellipticity -0.3275566E+01 Gb(Abramov) 0.4136770E-02 Vb(Abramov) -0.2819696E-02 Hb(Abramov) 0.1317074E-02 Ex_ueg -0.7272988E-03 Ec_ueg -0.1710471E-03 Delta_ex -0.1082088E-02 Delta_ec 0.6420686E-03 Delta_et -0.3617517E-02 Pxc 0.4252037E+01 Qxc -0.1685315E+01 3,+1 119 3 -1 -0.096044 3.174507 -3.237210 Rho 0.2171098E+00 |GRAD(Rho)| 0.9389911E-16 GRAD(Rho)x -0.3201107E-16 GRAD(Rho)y 0.3876023E-16 GRAD(Rho)z -0.7930939E-16 Laplacian 0.8089965E+00 (-1/4)Del**2(Rho)) -0.2022491E+00 Diamond 0.2540314E+01 Metallicity 0.6680344E+01 Ellipticity 0.2673586E-02 Gb(Abramov) 0.3600151E+00 Vb(Abramov) -0.5177810E+00 Hb(Abramov) -0.1577659E+00 Ex_ueg -0.9637349E-01 Ec_ueg -0.1287115E-01 Delta_ex -0.9525735E-01 Delta_ec 0.1844354E-01 Delta_et -0.2544480E+00 Pxc 0.7487559E+01 Qxc -0.5164808E+01 3,-1 120 3 -1 0.091673 3.267845 3.255105 Rho 0.1904750E+00 |GRAD(Rho)| 0.1983555E-10 GRAD(Rho)x 0.4138187E-11 GRAD(Rho)y 0.1350484E-10 GRAD(Rho)z 0.1392637E-10 Laplacian 0.7264669E+00 (-1/4)Del**2(Rho)) -0.1816167E+00 Diamond 0.1958960E+01 Metallicity 0.5981278E+01 Ellipticity 0.3213714E-02 Gb(Abramov) 0.3021279E+00 Vb(Abramov) -0.4226390E+00 Hb(Abramov) -0.1205111E+00 Ex_ueg -0.8094110E-01 Ec_ueg -0.1108314E-01 Delta_ex -0.8279262E-01 Delta_ec 0.1729900E-01 Delta_et -0.2367140E+00 Pxc 0.7303080E+01 Qxc -0.4785976E+01 3,-1 121 3 -1 0.505894 1.680676 -1.768939 Rho 0.4994596E-01 |GRAD(Rho)| 0.1657776E-15 GRAD(Rho)x -0.3947534E-16 GRAD(Rho)y 0.1523321E-15 GRAD(Rho)z -0.5214250E-16 Laplacian 0.1969685E+00 (-1/4)Del**2(Rho)) -0.4924213E-01 Diamond 0.9916739E-01 Metallicity 0.2369828E+01 Ellipticity 0.1776623E-01 Gb(Abramov) 0.5227732E-01 Vb(Abramov) -0.5531251E-01 Hb(Abramov) -0.3035190E-02 Ex_ueg -0.1358477E-01 Ec_ueg -0.2411887E-02 Delta_ex -0.1618548E-01 Delta_ec 0.5827726E-02 Delta_et -0.6142317E-01 Pxc 0.5632423E+01 Qxc -0.2777323E+01 3,-1 122 3 -1 0.839894 3.005944 -2.035470 Rho 0.1438927E+00 |GRAD(Rho)| 0.1576111E-13 GRAD(Rho)x -0.9905569E-14 GRAD(Rho)y -0.6059823E-14 GRAD(Rho)z -0.1065696E-13 Laplacian 0.5568445E+00 (-1/4)Del**2(Rho)) -0.1392111E+00 Diamond 0.1068783E+01 Metallicity 0.4889645E+01 Ellipticity 0.3295839E-01 Gb(Abramov) 0.2062562E+00 Vb(Abramov) -0.2733013E+00 Hb(Abramov) -0.6704511E-01 Ex_ueg -0.5568910E-01 Ec_ueg -0.8053714E-02 Delta_ex -0.5914407E-01 Delta_ec 0.1418575E-01 Delta_et -0.1875320E+00 Pxc 0.6914710E+01 Qxc -0.4169258E+01 3,-1 123 3 -1 0.479126 -1.773497 1.736985 Rho 0.4231951E-01 |GRAD(Rho)| 0.8047037E-13 GRAD(Rho)x 0.2695940E-13 GRAD(Rho)y -0.7392030E-13 GRAD(Rho)z 0.1686597E-13 Laplacian 0.1767905E+00 (-1/4)Del**2(Rho)) -0.4419762E-01 Diamond 0.7703276E-01 Metallicity 0.2003189E+01 Ellipticity 0.1263452E-01 Gb(Abramov) 0.4422112E-01 Vb(Abramov) -0.4424461E-01 Hb(Abramov) -0.2349392E-04 Ex_ueg -0.1089196E-01 Ec_ueg -0.1994944E-02 Delta_ex -0.1425833E-01 Delta_ec 0.5811604E-02 Delta_et -0.5872118E-01 Pxc 0.5459781E+01 Qxc -0.2453425E+01 3,-1 124 3 -1 0.399917 -0.534987 0.418013 Rho 0.1742060E+00 |GRAD(Rho)| 0.1358854E-15 GRAD(Rho)x 0.1040834E-16 GRAD(Rho)y -0.1353084E-15 GRAD(Rho)z 0.6938894E-17 Laplacian 0.4354911E+00 (-1/4)Del**2(Rho)) -0.1088728E+00 Diamond 0.1080729E+01 Metallicity 0.8598162E+01 Ellipticity 0.8046266E-02 Gb(Abramov) 0.2285995E+00 Vb(Abramov) -0.3483262E+00 Hb(Abramov) -0.1197267E+00 Ex_ueg -0.7185701E-01 Ec_ueg -0.1001066E-01 Delta_ex -0.4873707E-01 Delta_ec 0.1099413E-01 Delta_et -0.1501495E+00 Pxc 0.7178053E+01 Qxc -0.4433009E+01 3,-1 125 3 +1 1.634764 -0.582044 -0.586281 Rho 0.7998514E-02 |GRAD(Rho)| 0.9504323E-17 GRAD(Rho)x -0.8186497E-17 GRAD(Rho)y 0.1827651E-17 GRAD(Rho)z 0.4469129E-17 Laplacian 0.3156088E-01 (-1/4)Del**2(Rho)) -0.7890220E-02 Diamond 0.7871539E-03 Metallicity 0.6984675E+00 Ellipticity -0.1435112E+01 Gb(Abramov) 0.6178657E-02 Vb(Abramov) -0.4467094E-02 Hb(Abramov) 0.1711563E-02 Ex_ueg -0.1181401E-02 Ec_ueg -0.2781488E-03 Delta_ex -0.1426594E-02 Delta_ec 0.4635865E-03 Delta_et -0.3093772E-02 Pxc 0.4247371E+01 Qxc -0.3077299E+01 3,+1 126 3 -1 0.404818 0.410784 -0.531797 Rho 0.1764025E+00 |GRAD(Rho)| 0.3014428E-15 GRAD(Rho)x -0.1561251E-15 GRAD(Rho)y -0.2359224E-15 GRAD(Rho)z 0.1040834E-15 Laplacian 0.4464317E+00 (-1/4)Del**2(Rho)) -0.1116079E+00 Diamond 0.1122320E+01 Metallicity 0.8564451E+01 Ellipticity 0.2594536E-02 Gb(Abramov) 0.2337154E+00 Vb(Abramov) -0.3558229E+00 Hb(Abramov) -0.1221075E+00 Ex_ueg -0.7306760E-01 Ec_ueg -0.1015457E-01 Delta_ex -0.5009883E-01 Delta_ec 0.1120035E-01 Delta_et -0.1531013E+00 Pxc 0.7195538E+01 Qxc -0.4472969E+01 3,-1 127 3 -1 0.056996 -3.451845 -1.261667 Rho 0.2349281E-01 |GRAD(Rho)| 0.1445791E-16 GRAD(Rho)x 0.1333181E-16 GRAD(Rho)y 0.4295452E-17 GRAD(Rho)z -0.3583724E-17 Laplacian 0.7955467E-01 (-1/4)Del**2(Rho)) -0.1988867E-01 Diamond 0.2174324E-01 Metallicity 0.1669190E+01 Ellipticity 0.1159048E-01 Gb(Abramov) 0.1879211E-01 Vb(Abramov) -0.1769555E-01 Hb(Abramov) 0.1096561E-02 Ex_ueg -0.4969336E-02 Ec_ueg -0.1013133E-02 Delta_ex -0.6305087E-02 Delta_ec 0.3918385E-02 Delta_et -0.3335903E-01 Pxc 0.4904920E+01 Qxc -0.1609104E+01 3,-1 128 3 +1 1.470997 0.913996 -2.241835 Rho 0.2435556E-01 |GRAD(Rho)| 0.1884839E-15 GRAD(Rho)x 0.1212436E-16 GRAD(Rho)y 0.1845962E-15 GRAD(Rho)z 0.3610289E-16 Laplacian 0.9320882E-01 (-1/4)Del**2(Rho)) -0.2330221E-01 Diamond 0.9676563E-02 Metallicity 0.1512933E+01 Ellipticity -0.2066603E+01 Gb(Abramov) 0.2141058E-01 Vb(Abramov) -0.1951896E-01 Hb(Abramov) 0.1891623E-02 Ex_ueg -0.5214138E-02 Ec_ueg -0.1056323E-02 Delta_ex -0.5522505E-02 Delta_ec 0.1163331E-02 Delta_et -0.1030805E-01 Pxc 0.4936123E+01 Qxc -0.4747149E+01 3,+1 129 3 -1 0.875960 -3.031959 2.070339 Rho 0.1103416E+00 |GRAD(Rho)| 0.6233178E-12 GRAD(Rho)x -0.4639244E-12 GRAD(Rho)y 0.2184469E-12 GRAD(Rho)z 0.3543730E-12 Laplacian 0.4568196E+00 (-1/4)Del**2(Rho)) -0.1142049E+00 Diamond 0.6567769E+00 Metallicity 0.3829136E+01 Ellipticity 0.3145697E-01 Gb(Abramov) 0.1490210E+00 Vb(Abramov) -0.1838370E+00 Hb(Abramov) -0.3481605E-01 Ex_ueg -0.3908748E-01 Ec_ueg -0.5955661E-02 Delta_ex -0.4581317E-01 Delta_ec 0.1291795E-01 Delta_et -0.1641909E+00 Pxc 0.6563080E+01 Qxc -0.3546473E+01 3,-1 130 3 +1 1.037750 -2.231108 1.431632 Rho 0.2586016E-01 |GRAD(Rho)| 0.8098526E-16 GRAD(Rho)x -0.4367041E-16 GRAD(Rho)y -0.3173341E-16 GRAD(Rho)z 0.6036967E-16 Laplacian 0.9850086E-01 (-1/4)Del**2(Rho)) -0.2462522E-01 Diamond 0.1261155E-01 Metallicity 0.1582068E+01 Ellipticity -0.3067543E+01 Gb(Abramov) 0.2290994E-01 Vb(Abramov) -0.2119466E-01 Hb(Abramov) 0.1715277E-02 Ex_ueg -0.5647983E-02 Ec_ueg -0.1132119E-02 Delta_ex -0.6089957E-02 Delta_ec 0.1507357E-02 Delta_et -0.1345005E-01 Pxc 0.4988861E+01 Qxc -0.4040154E+01 3,+1 131 3 +3 1.889197 -1.909991 1.938908 Rho 0.1146702E-01 |GRAD(Rho)| 0.2333947E-16 GRAD(Rho)x -0.1440283E-16 GRAD(Rho)y -0.1385424E-16 GRAD(Rho)z 0.1205609E-16 Laplacian 0.5157865E-01 (-1/4)Del**2(Rho)) -0.1289466E-01 Diamond 0.1056675E-02 Metallicity 0.7790422E+00 Ellipticity -0.6431183E+00 Gb(Abramov) 0.1027069E-01 Vb(Abramov) -0.7646716E-02 Hb(Abramov) 0.2623973E-02 Ex_ueg -0.1909792E-02 Ec_ueg -0.4350211E-03 Delta_ex -0.2233365E-02 Delta_ec 0.1842068E-03 Delta_et -0.1747664E-02 Pxc 0.4390112E+01 Qxc -0.1212423E+02 3,+3 132 3 -1 0.853756 -1.988419 3.071939 Rho 0.1088796E+00 |GRAD(Rho)| 0.1433537E-09 GRAD(Rho)x 0.1042518E-09 GRAD(Rho)y 0.7765422E-10 GRAD(Rho)z 0.6042917E-10 Laplacian 0.4485539E+00 (-1/4)Del**2(Rho)) -0.1121385E+00 Diamond 0.6357830E+00 Metallicity 0.3813961E+01 Ellipticity 0.1905270E-01 Gb(Abramov) 0.1460409E+00 Vb(Abramov) -0.1799434E+00 Hb(Abramov) -0.3390247E-01 Ex_ueg -0.3839847E-01 Ec_ueg -0.5866018E-02 Delta_ex -0.4486205E-01 Delta_ec 0.1275388E-01 Delta_et -0.1617322E+00 Pxc 0.6545917E+01 Qxc -0.3517522E+01 3,-1 133 3 -1 0.585001 1.818298 2.818823 Rho 0.1083775E+00 |GRAD(Rho)| 0.1888973E-14 GRAD(Rho)x -0.1029287E-14 GRAD(Rho)y 0.1554502E-14 GRAD(Rho)z -0.3038273E-15 Laplacian 0.4643735E+00 (-1/4)Del**2(Rho)) -0.1160934E+00 Diamond 0.6589803E+00 Metallicity 0.3655760E+01 Ellipticity 0.1279461E-01 Gb(Abramov) 0.1481305E+00 Vb(Abramov) -0.1801676E+00 Hb(Abramov) -0.3203713E-01 Ex_ueg -0.3816254E-01 Ec_ueg -0.5835267E-02 Delta_ex -0.4646225E-01 Delta_ec 0.1333877E-01 Delta_et -0.1691608E+00 Pxc 0.6539982E+01 Qxc -0.3483248E+01 3,-1 134 3 -1 0.847858 1.996236 -3.038335 Rho 0.1460196E+00 |GRAD(Rho)| 0.1021144E-14 GRAD(Rho)x -0.8331416E-15 GRAD(Rho)y 0.4780383E-15 GRAD(Rho)z 0.3465381E-15 Laplacian 0.5786291E+00 (-1/4)Del**2(Rho)) -0.1446573E+00 Diamond 0.1121762E+01 Metallicity 0.4822046E+01 Ellipticity 0.5328610E-01 Gb(Abramov) 0.2126955E+00 Vb(Abramov) -0.2807337E+00 Hb(Abramov) -0.6803824E-01 Ex_ueg -0.5678929E-01 Ec_ueg -0.8189198E-02 Delta_ex -0.6159061E-01 Delta_ec 0.1452928E-01 Delta_et -0.1921250E+00 Pxc 0.6934659E+01 Qxc -0.4239069E+01 3,-1 135 3 -1 0.571795 2.829640 1.819524 Rho 0.1353788E+00 |GRAD(Rho)| 0.3638059E-15 GRAD(Rho)x 0.3620422E-15 GRAD(Rho)y -0.3448441E-16 GRAD(Rho)z -0.9540979E-17 Laplacian 0.5675556E+00 (-1/4)Del**2(Rho)) -0.1418889E+00 Diamond 0.1040779E+01 Metallicity 0.4333671E+01 Ellipticity 0.1400084E-01 Gb(Abramov) 0.1970759E+00 Vb(Abramov) -0.2522629E+00 Hb(Abramov) -0.5518700E-01 Ex_ueg -0.5133962E-01 Ec_ueg -0.7514223E-02 Delta_ex -0.5971645E-01 Delta_ec 0.1525457E-01 Delta_et -0.2009833E+00 Pxc 0.6832326E+01 Qxc -0.3914661E+01 3,-1 136 3 +1 1.144593 -1.315756 2.194982 Rho 0.2324786E-01 |GRAD(Rho)| 0.4523669E-16 GRAD(Rho)x -0.2147485E-16 GRAD(Rho)y 0.5316841E-17 GRAD(Rho)z -0.3945783E-16 Laplacian 0.8763376E-01 (-1/4)Del**2(Rho)) -0.2190844E-01 Diamond 0.1108070E-01 Metallicity 0.1489064E+01 Ellipticity -0.6387173E+01 Gb(Abramov) 0.2004281E-01 Vb(Abramov) -0.1817717E-01 Hb(Abramov) 0.1865634E-02 Ex_ueg -0.4900373E-02 Ec_ueg -0.1000908E-02 Delta_ex -0.5430773E-02 Delta_ec 0.1638728E-02 Delta_et -0.1416646E-01 Pxc 0.4895928E+01 Qxc -0.3314017E+01 3,+1 137 3 +1 2.159249 -1.395600 1.099211 Rho 0.2443218E-01 |GRAD(Rho)| 0.1130639E-15 GRAD(Rho)x 0.1106618E-15 GRAD(Rho)y -0.4308996E-17 GRAD(Rho)z 0.2277840E-16 Laplacian 0.9598073E-01 (-1/4)Del**2(Rho)) -0.2399518E-01 Diamond 0.1264270E-01 Metallicity 0.1476951E+01 Ellipticity -0.4256971E+01 Gb(Abramov) 0.2190341E-01 Vb(Abramov) -0.1981163E-01 Hb(Abramov) 0.2091775E-02 Ex_ueg -0.5236021E-02 Ec_ueg -0.1060168E-02 Delta_ex -0.5986772E-02 Delta_ec 0.1724743E-02 Delta_et -0.1511535E-01 Pxc 0.4938860E+01 Qxc -0.3471109E+01 3,+1 138 3 -1 1.730930 -0.576011 1.729123 Rho 0.3475218E-01 |GRAD(Rho)| 0.1487920E-14 GRAD(Rho)x 0.9570344E-15 GRAD(Rho)y 0.5770415E-15 GRAD(Rho)z 0.9823508E-15 Laplacian 0.1321232E+00 (-1/4)Del**2(Rho)) -0.3303081E-01 Diamond 0.3919599E-01 Metallicity 0.1930208E+01 Ellipticity 0.4807581E-01 Gb(Abramov) 0.3264659E-01 Vb(Abramov) -0.3226238E-01 Hb(Abramov) 0.3842141E-03 Ex_ueg -0.8375829E-02 Ec_ueg -0.1591236E-02 Delta_ex -0.9820314E-02 Delta_ec 0.3740396E-02 Delta_et -0.3577274E-01 Pxc 0.5263726E+01 Qxc -0.2625474E+01 3,-1 139 3 -1 1.714745 0.421145 -1.834518 Rho 0.3550951E-01 |GRAD(Rho)| 0.8268224E-15 GRAD(Rho)x -0.6652470E-16 GRAD(Rho)y -0.5855916E-15 GRAD(Rho)z -0.5799071E-15 Laplacian 0.1482957E+00 (-1/4)Del**2(Rho)) -0.3707392E-01 Diamond 0.5134126E-01 Metallicity 0.1782621E+01 Ellipticity 0.1021494E-01 Gb(Abramov) 0.3573074E-01 Vb(Abramov) -0.3438756E-01 Hb(Abramov) 0.1343180E-02 Ex_ueg -0.8620080E-02 Ec_ueg -0.1631141E-02 Delta_ex -0.1149217E-01 Delta_ec 0.4930950E-02 Delta_et -0.4746571E-01 Pxc 0.5284692E+01 Qxc -0.2330619E+01 3,-1 140 3 -1 3.017922 -0.850364 2.035784 Rho 0.1606437E+00 |GRAD(Rho)| 0.7639315E-15 GRAD(Rho)x -0.1543362E-15 GRAD(Rho)y 0.6105413E-15 GRAD(Rho)z 0.4324476E-15 Laplacian 0.6265102E+00 (-1/4)Del**2(Rho)) -0.1566275E+00 Diamond 0.1369871E+01 Metallicity 0.5221451E+01 Ellipticity 0.4323759E-01 Gb(Abramov) 0.2407222E+00 Vb(Abramov) -0.3248169E+00 Hb(Abramov) -0.8409466E-01 Ex_ueg -0.6449658E-01 Ec_ueg -0.9128309E-02 Delta_ex -0.6835074E-01 Delta_ec 0.1548350E-01 Delta_et -0.2076453E+00 Pxc 0.7065556E+01 Qxc -0.4414425E+01 3,-1 141 3 -1 1.852776 -3.065964 -0.556292 Rho 0.2139371E+00 |GRAD(Rho)| 0.2430101E-15 GRAD(Rho)x 0.1295079E-15 GRAD(Rho)y 0.2055918E-15 GRAD(Rho)z -0.3686287E-17 Laplacian 0.8301269E+00 (-1/4)Del**2(Rho)) -0.2075317E+00 Diamond 0.2536862E+01 Metallicity 0.6352510E+01 Ellipticity 0.9725189E-02 Gb(Abramov) 0.3580790E+00 Vb(Abramov) -0.5086264E+00 Hb(Abramov) -0.1505473E+00 Ex_ueg -0.9450028E-01 Ec_ueg -0.1265609E-01 Delta_ex -0.9722582E-01 Delta_ec 0.1873752E-01 Delta_et -0.2572538E+00 Pxc 0.7466781E+01 Qxc -0.5188832E+01 3,-1 142 3 -1 1.513595 -2.274992 -2.216081 Rho 0.5743910E-02 |GRAD(Rho)| 0.4532874E-18 GRAD(Rho)x -0.4033082E-18 GRAD(Rho)y 0.1056456E-20 GRAD(Rho)z -0.2069078E-18 Laplacian 0.2141775E-01 (-1/4)Del**2(Rho)) -0.5354439E-02 Diamond 0.6983961E-03 Metallicity 0.5927232E+00 Ellipticity 0.1789340E+01 Gb(Abramov) 0.4098576E-02 Vb(Abramov) -0.2842713E-02 Hb(Abramov) 0.1255863E-02 Ex_ueg -0.7597346E-03 Ec_ueg -0.1790654E-03 Delta_ex -0.1168538E-02 Delta_ec 0.8074091E-03 Delta_et -0.4518336E-02 Pxc 0.4242776E+01 Qxc -0.1447269E+01 3,-1 143 3 +1 2.069442 -2.072192 2.119204 Rho 0.1177498E-01 |GRAD(Rho)| 0.1462111E-16 GRAD(Rho)x 0.9554539E-18 GRAD(Rho)y -0.1338586E-16 GRAD(Rho)z -0.5803680E-17 Laplacian 0.5358020E-01 (-1/4)Del**2(Rho)) -0.1339505E-01 Diamond 0.1727845E-02 Metallicity 0.7838075E+00 Ellipticity -0.1174381E+01 Gb(Abramov) 0.1067989E-01 Vb(Abramov) -0.7964730E-02 Hb(Abramov) 0.2715160E-02 Ex_ueg -0.1978482E-02 Ec_ueg -0.4491915E-03 Delta_ex -0.2512685E-02 Delta_ec 0.5028072E-03 Delta_et -0.3902318E-02 Pxc 0.4404541E+01 Qxc -0.4997313E+01 3,+1 144 3 +1 1.801221 1.783094 1.799331 Rho 0.1155851E-01 |GRAD(Rho)| 0.1844203E-16 GRAD(Rho)x -0.1373771E-16 GRAD(Rho)y 0.4536661E-17 GRAD(Rho)z 0.1143689E-16 Laplacian 0.5422271E-01 (-1/4)Del**2(Rho)) -0.1355568E-01 Diamond 0.1953899E-02 Metallicity 0.7509338E+00 Ellipticity -0.1249963E+01 Gb(Abramov) 0.1073369E-01 Vb(Abramov) -0.7911697E-02 Hb(Abramov) 0.2821990E-02 Ex_ueg -0.1930134E-02 Ec_ueg -0.4392268E-03 Delta_ex -0.2605691E-02 Delta_ec 0.6441618E-03 Delta_et -0.4832713E-02 Pxc 0.4394391E+01 Qxc -0.4045088E+01 3,+1 145 3 +1 2.076670 2.011094 -2.071126 Rho 0.1108415E-01 |GRAD(Rho)| 0.1429014E-16 GRAD(Rho)x -0.9112439E-17 GRAD(Rho)y 0.1044744E-16 GRAD(Rho)z -0.3467341E-17 Laplacian 0.4709575E-01 (-1/4)Del**2(Rho)) -0.1177394E-01 Diamond 0.1297632E-02 Metallicity 0.8062487E+00 Ellipticity -0.1143426E+01 Gb(Abramov) 0.9431412E-02 Vb(Abramov) -0.7088886E-02 Hb(Abramov) 0.2342525E-02 Ex_ueg -0.1825248E-02 Ec_ueg -0.4174571E-03 Delta_ex -0.2140265E-02 Delta_ec 0.3847829E-03 Delta_et -0.3010644E-02 Pxc 0.4372300E+01 Qxc -0.5562267E+01 3,+1 146 3 +1 1.433295 2.146274 -1.063018 Rho 0.2294865E-01 |GRAD(Rho)| 0.1074303E-16 GRAD(Rho)x -0.9425905E-17 GRAD(Rho)y 0.7053270E-18 GRAD(Rho)z -0.5105640E-17 Laplacian 0.8521826E-01 (-1/4)Del**2(Rho)) -0.2130456E-01 Diamond 0.8403604E-02 Metallicity 0.1498566E+01 Ellipticity -0.2234432E+01 Gb(Abramov) 0.1952409E-01 Vb(Abramov) -0.1774362E-01 Hb(Abramov) 0.1780472E-02 Ex_ueg -0.4816461E-02 Ec_ueg -0.9859971E-03 Delta_ex -0.4997621E-02 Delta_ec 0.1119354E-02 Delta_et -0.9769274E-02 Pxc 0.4884863E+01 Qxc -0.4464736E+01 3,+1 147 3 -1 1.743861 1.699612 -0.577710 Rho 0.3451621E-01 |GRAD(Rho)| 0.1472698E-15 GRAD(Rho)x -0.9382245E-16 GRAD(Rho)y -0.1115297E-15 GRAD(Rho)z -0.2113919E-16 Laplacian 0.1433878E+00 (-1/4)Del**2(Rho)) -0.3584695E-01 Diamond 0.4705657E-01 Metallicity 0.1758489E+01 Ellipticity 0.4911998E-01 Gb(Abramov) 0.3440404E-01 Vb(Abramov) -0.3296113E-01 Hb(Abramov) 0.1442908E-02 Ex_ueg -0.8300085E-02 Ec_ueg -0.1578826E-02 Delta_ex -0.1098655E-01 Delta_ec 0.4678923E-02 Delta_et -0.4468144E-01 Pxc 0.5257125E+01 Qxc -0.2348094E+01 3,-1 148 3 +3 1.966571 1.889267 -1.957176 Rho 0.1100089E-01 |GRAD(Rho)| 0.4128675E-14 GRAD(Rho)x -0.2418476E-14 GRAD(Rho)y -0.2280719E-14 GRAD(Rho)z 0.2448521E-14 Laplacian 0.4643209E-01 (-1/4)Del**2(Rho)) -0.1160802E-01 Diamond 0.9456077E-03 Metallicity 0.8075599E+00 Ellipticity -0.7652408E+00 Gb(Abramov) 0.9301045E-02 Vb(Abramov) -0.6994066E-02 Hb(Abramov) 0.2306979E-02 Ex_ueg -0.1806989E-02 Ec_ueg -0.4136454E-03 Delta_ex -0.2001698E-02 Delta_ec 0.1936867E-03 Delta_et -0.1749793E-02 Pxc 0.4368451E+01 Qxc -0.1033473E+02 3,+3 149 3 -1 3.270034 3.261455 0.037729 Rho 0.1911811E+00 |GRAD(Rho)| 0.2390274E-15 GRAD(Rho)x -0.1929338E-15 GRAD(Rho)y -0.1392116E-15 GRAD(Rho)z -0.2303930E-16 Laplacian 0.7231622E+00 (-1/4)Del**2(Rho)) -0.1807906E+00 Diamond 0.1961685E+01 Metallicity 0.6045779E+01 Ellipticity 0.8867201E-02 Gb(Abramov) 0.3026970E+00 Vb(Abramov) -0.4246035E+00 Hb(Abramov) -0.1219064E+00 Ex_ueg -0.8134139E-01 Ec_ueg -0.1113003E-01 Delta_ex -0.8251464E-01 Delta_ec 0.1724114E-01 Delta_et -0.2361262E+00 Pxc 0.7308281E+01 Qxc -0.4785915E+01 3,-1 150 3 -1 1.677906 -1.832250 0.476753 Rho 0.4342469E-01 |GRAD(Rho)| 0.1165196E-15 GRAD(Rho)x 0.8065575E-16 GRAD(Rho)y -0.8283728E-16 GRAD(Rho)z -0.1447262E-16 Laplacian 0.1666943E+00 (-1/4)Del**2(Rho)) -0.4167359E-01 Diamond 0.6934719E-01 Metallicity 0.2217788E+01 Ellipticity 0.4072629E-01 Gb(Abramov) 0.4318626E-01 Vb(Abramov) -0.4469893E-01 Hb(Abramov) -0.1512671E-02 Ex_ueg -0.1127286E-01 Ec_ueg -0.2054775E-02 Delta_ex -0.1322329E-01 Delta_ec 0.4933369E-02 Delta_et -0.5011448E-01 Pxc 0.5486175E+01 Qxc -0.2680377E+01 3,-1 151 3 -1 1.985721 -0.686163 -3.124031 Rho 0.1951182E+00 |GRAD(Rho)| 0.3993121E-15 GRAD(Rho)x -0.1693524E-15 GRAD(Rho)y -0.1841517E-15 GRAD(Rho)z -0.3112202E-15 Laplacian 0.7746110E+00 (-1/4)Del**2(Rho)) -0.1936528E+00 Diamond 0.2127919E+01 Metallicity 0.5839277E+01 Ellipticity 0.6701895E-02 Gb(Abramov) 0.3175672E+00 Vb(Abramov) -0.4414816E+00 Hb(Abramov) -0.1239144E+00 Ex_ueg -0.8358251E-01 Ec_ueg -0.1139199E-01 Delta_ex -0.8866538E-01 Delta_ec 0.1804807E-01 Delta_et -0.2465749E+00 Pxc 0.7336954E+01 Qxc -0.4912734E+01 3,-1 152 3 +1 3.027070 0.082951 -0.084498 Rho 0.4519787E-02 |GRAD(Rho)| 0.1555620E-16 GRAD(Rho)x -0.3424294E-18 GRAD(Rho)y -0.1024643E-16 GRAD(Rho)z -0.1169995E-16 Laplacian 0.1737796E-01 (-1/4)Del**2(Rho)) -0.4344489E-02 Diamond 0.3489660E-03 Metallicity 0.4899417E+00 Ellipticity -0.3134900E+01 Gb(Abramov) 0.3251084E-02 Vb(Abramov) -0.2157678E-02 Hb(Abramov) 0.1093405E-02 Ex_ueg -0.5519194E-03 Ec_ueg -0.1263062E-03 Delta_ex -0.8423028E-03 Delta_ec 0.5379870E-03 Delta_et -0.2838134E-02 Pxc 0.4369695E+01 Qxc -0.1565657E+01 3,+1 153 3 -1 2.029760 -0.839258 3.058020 Rho 0.1443406E+00 |GRAD(Rho)| 0.3078257E-15 GRAD(Rho)x 0.1185168E-15 GRAD(Rho)y 0.2609539E-15 GRAD(Rho)z -0.1123098E-15 Laplacian 0.5642925E+00 (-1/4)Del**2(Rho)) -0.1410731E+00 Diamond 0.1087657E+01 Metallicity 0.4850164E+01 Ellipticity 0.2423340E-01 Gb(Abramov) 0.2080867E+00 Vb(Abramov) -0.2751003E+00 Hb(Abramov) -0.6701360E-01 Ex_ueg -0.5592034E-01 Ec_ueg -0.8082221E-02 Delta_ex -0.5998630E-01 Delta_ec 0.1437438E-01 Delta_et -0.1901325E+00 Pxc 0.6918931E+01 Qxc -0.4173141E+01 3,-1 154 3 -1 1.848813 2.810063 0.550520 Rho 0.1179959E+00 |GRAD(Rho)| 0.2385645E-15 GRAD(Rho)x 0.2144552E-15 GRAD(Rho)y -0.7381384E-16 GRAD(Rho)z -0.7398325E-16 Laplacian 0.5075199E+00 (-1/4)Del**2(Rho)) -0.1268800E+00 Diamond 0.7879656E+00 Metallicity 0.3854237E+01 Ellipticity 0.1686719E-01 Gb(Abramov) 0.1660909E+00 Vb(Abramov) -0.2053018E+00 Hb(Abramov) -0.3921092E-01 Ex_ueg -0.4274392E-01 Ec_ueg -0.6427525E-02 Delta_ex -0.5166435E-01 Delta_ec 0.1406099E-01 Delta_et -0.1808674E+00 Pxc 0.6650137E+01 Qxc -0.3674303E+01 3,-1 155 3 -1 2.013942 3.023884 -0.905715 Rho 0.1100907E+00 |GRAD(Rho)| 0.3660533E-15 GRAD(Rho)x 0.9737491E-17 GRAD(Rho)y -0.3347271E-15 GRAD(Rho)z 0.1478445E-15 Laplacian 0.4506990E+00 (-1/4)Del**2(Rho)) -0.1126748E+00 Diamond 0.6494075E+00 Metallicity 0.3866439E+01 Ellipticity 0.2004566E-01 Gb(Abramov) 0.1477248E+00 Vb(Abramov) -0.1827749E+00 Hb(Abramov) -0.3505009E-01 Ex_ueg -0.3896901E-01 Ec_ueg -0.5940265E-02 Delta_ex -0.4522351E-01 Delta_ec 0.1283745E-01 Delta_et -0.1632154E+00 Pxc 0.6560147E+01 Qxc -0.3522780E+01 3,-1 156 3 +3 2.336908 0.014070 0.009600 Rho 0.3720700E-02 |GRAD(Rho)| 0.8841954E-16 GRAD(Rho)x 0.7779177E-17 GRAD(Rho)y -0.7260602E-16 GRAD(Rho)z 0.4985845E-16 Laplacian 0.1507876E-01 (-1/4)Del**2(Rho)) -0.3769689E-02 Diamond 0.1002106E-03 Metallicity 0.4082775E+00 Ellipticity -0.2576275E+00 Gb(Abramov) 0.2769639E-02 Vb(Abramov) -0.1769589E-02 Hb(Abramov) 0.1000050E-02 Ex_ueg -0.4258120E-03 Ec_ueg -0.9228167E-04 Delta_ex -0.5214746E-03 Delta_ec 0.1398949E-03 Delta_et -0.8334519E-03 Pxc 0.4614265E+01 Qxc -0.3727618E+01 3,+3 157 3 -1 2.001609 0.806305 -3.095265 Rho 0.1035214E+00 |GRAD(Rho)| 0.9172673E-12 GRAD(Rho)x -0.6142981E-12 GRAD(Rho)y 0.6806371E-12 GRAD(Rho)z -0.2738842E-13 Laplacian 0.4190066E+00 (-1/4)Del**2(Rho)) -0.1047517E+00 Diamond 0.5629175E+00 Metallicity 0.3753553E+01 Ellipticity 0.1731127E-01 Gb(Abramov) 0.1353663E+00 Vb(Abramov) -0.1659809E+00 Hb(Abramov) -0.3061460E-01 Ex_ueg -0.3589980E-01 Ec_ueg -0.5538856E-02 Delta_ex -0.4148426E-01 Delta_ec 0.1216561E-01 Delta_et -0.1528920E+00 Pxc 0.6481446E+01 Qxc -0.3409960E+01 3,-1 158 3 -1 1.847597 0.545367 2.825461 Rho 0.1493334E+00 |GRAD(Rho)| 0.8995596E-14 GRAD(Rho)x 0.7854936E-14 GRAD(Rho)y -0.8274360E-15 GRAD(Rho)z 0.4305353E-14 Laplacian 0.6097886E+00 (-1/4)Del**2(Rho)) -0.1524471E+00 Diamond 0.1217076E+01 Metallicity 0.4750021E+01 Ellipticity 0.1277529E-01 Gb(Abramov) 0.2223193E+00 Vb(Abramov) -0.2921914E+00 Hb(Abramov) -0.6987215E-01 Ex_ueg -0.5851417E-01 Ec_ueg -0.8400857E-02 Delta_ex -0.6529298E-01 Delta_ec 0.1527295E-01 Delta_et -0.2026921E+00 Pxc 0.6965262E+01 Qxc -0.4275072E+01 3,-1 159 3 -1 2.010772 -3.078803 0.874439 Rho 0.1408717E+00 |GRAD(Rho)| 0.1330220E-13 GRAD(Rho)x 0.6311317E-14 GRAD(Rho)y 0.4250635E-14 GRAD(Rho)z -0.1091091E-13 Laplacian 0.5382580E+00 (-1/4)Del**2(Rho)) -0.1345645E+00 Diamond 0.1015268E+01 Metallicity 0.4882722E+01 Ellipticity 0.1972691E-01 Gb(Abramov) 0.1992165E+00 Vb(Abramov) -0.2638685E+00 Hb(Abramov) -0.6465201E-01 Ex_ueg -0.5413563E-01 Ec_ueg -0.7861754E-02 Delta_ex -0.5696258E-01 Delta_ec 0.1394162E-01 Delta_et -0.1840667E+00 Pxc 0.6885949E+01 Qxc -0.4085794E+01 3,-1 160 3 -1 2.750709 -1.921852 -0.578685 Rho 0.1533546E+00 |GRAD(Rho)| 0.4477306E-15 GRAD(Rho)x 0.5002915E-16 GRAD(Rho)y 0.3591420E-15 GRAD(Rho)z -0.2626344E-15 Laplacian 0.6266872E+00 (-1/4)Del**2(Rho)) -0.1566718E+00 Diamond 0.1296017E+01 Metallicity 0.4831224E+01 Ellipticity 0.9191269E-02 Gb(Abramov) 0.2306006E+00 Vb(Abramov) -0.3045295E+00 Hb(Abramov) -0.7392883E-01 Ex_ueg -0.6062442E-01 Ec_ueg -0.8658604E-02 Delta_ex -0.6758888E-01 Delta_ec 0.1567230E-01 Delta_et -0.2089280E+00 Pxc 0.7001639E+01 Qxc -0.4312633E+01 3,-1 161 3 -1 2.966982 -2.047546 0.849207 Rho 0.8752174E-01 |GRAD(Rho)| 0.7446901E-14 GRAD(Rho)x 0.3444448E-14 GRAD(Rho)y 0.3884198E-14 GRAD(Rho)z 0.5339018E-14 Laplacian 0.3448770E+00 (-1/4)Del**2(Rho)) -0.8621926E-01 Diamond 0.3604224E+00 Metallicity 0.3447271E+01 Ellipticity 0.2046228E-01 Gb(Abramov) 0.1070164E+00 Vb(Abramov) -0.1278135E+00 Hb(Abramov) -0.2079711E-01 Ex_ueg -0.2869941E-01 Ec_ueg -0.4575582E-02 Delta_ex -0.3249463E-01 Delta_ec 0.9725553E-02 Delta_et -0.1173652E+00 Pxc 0.6272297E+01 Qxc -0.3341160E+01 3,-1 162 3 -1 2.783440 -0.682173 -1.861747 Rho 0.1073126E+00 |GRAD(Rho)| 0.4679419E-14 GRAD(Rho)x -0.7008757E-15 GRAD(Rho)y 0.2863798E-14 GRAD(Rho)z -0.3633785E-14 Laplacian 0.4596661E+00 (-1/4)Del**2(Rho)) -0.1149165E+00 Diamond 0.6457224E+00 Metallicity 0.3632913E+01 Ellipticity 0.6865819E-02 Gb(Abramov) 0.1461913E+00 Vb(Abramov) -0.1774661E+00 Hb(Abramov) -0.3127479E-01 Ex_ueg -0.3766337E-01 Ec_ueg -0.5770111E-02 Delta_ex -0.4590348E-01 Delta_ec 0.1326401E-01 Delta_et -0.1679275E+00 Pxc 0.6527321E+01 Qxc -0.3460755E+01 3,-1 163 3 -1 3.366040 -0.082423 -3.261503 Rho 0.1836587E+00 |GRAD(Rho)| 0.1535557E-13 GRAD(Rho)x 0.1246431E-13 GRAD(Rho)y 0.8516042E-14 GRAD(Rho)z 0.2812746E-14 Laplacian 0.6901460E+00 (-1/4)Del**2(Rho)) -0.1725365E+00 Diamond 0.1795600E+01 Metallicity 0.5925040E+01 Ellipticity 0.2734187E-01 Gb(Abramov) 0.2854053E+00 Vb(Abramov) -0.3982740E+00 Hb(Abramov) -0.1128688E+00 Ex_ueg -0.7710224E-01 Ec_ueg -0.1063196E-01 Delta_ex -0.7804013E-01 Delta_ec 0.1678879E-01 Delta_et -0.2295203E+00 Pxc 0.7251933E+01 Qxc -0.4648348E+01 3,-1 164 3 -1 2.845331 0.566031 1.867544 Rho 0.1491544E+00 |GRAD(Rho)| 0.2619871E-15 GRAD(Rho)x 0.8885714E-16 GRAD(Rho)y 0.1246968E-15 GRAD(Rho)z 0.2125849E-15 Laplacian 0.6157471E+00 (-1/4)Del**2(Rho)) -0.1539368E+00 Diamond 0.1229918E+01 Metallicity 0.4694660E+01 Ellipticity 0.1454998E-01 Gb(Abramov) 0.2230713E+00 Vb(Abramov) -0.2922059E+00 Hb(Abramov) -0.6913455E-01 Ex_ueg -0.5842066E-01 Ec_ueg -0.8389405E-02 Delta_ex -0.6593880E-01 Delta_ec 0.1547553E-01 Delta_et -0.2054599E+00 Pxc 0.6963624E+01 Qxc -0.4260844E+01 3,-1 165 3 -1 3.051700 0.793376 -2.055714 Rho 0.7905752E-01 |GRAD(Rho)| 0.1540602E-12 GRAD(Rho)x -0.5805647E-13 GRAD(Rho)y -0.1148254E-12 GRAD(Rho)z -0.8472956E-13 Laplacian 0.3317392E+00 (-1/4)Del**2(Rho)) -0.8293479E-01 Diamond 0.3154352E+00 Metallicity 0.3024974E+01 Ellipticity 0.5514822E-02 Gb(Abramov) 0.9710246E-01 Vb(Abramov) -0.1112701E+00 Hb(Abramov) -0.1416767E-01 Ex_ueg -0.2505970E-01 Ec_ueg -0.4075000E-02 Delta_ex -0.3074834E-01 Delta_ec 0.9929552E-02 Delta_et -0.1175108E+00 Pxc 0.6149620E+01 Qxc -0.3096649E+01 3,-1 166 3 -1 2.857198 1.817728 0.591314 Rho 0.1112896E+00 |GRAD(Rho)| 0.1838525E-15 GRAD(Rho)x 0.4159948E-16 GRAD(Rho)y 0.1086913E-15 GRAD(Rho)z -0.1423286E-15 Laplacian 0.4753701E+00 (-1/4)Del**2(Rho)) -0.1188425E+00 Diamond 0.6974818E+00 Metallicity 0.3732551E+01 Ellipticity 0.1167742E-01 Gb(Abramov) 0.1531593E+00 Vb(Abramov) -0.1874761E+00 Hb(Abramov) -0.3431678E-01 Ex_ueg -0.3953586E-01 Ec_ueg -0.6013870E-02 Delta_ex -0.4787227E-01 Delta_ec 0.1360102E-01 Delta_et -0.1734156E+00 Pxc 0.6574114E+01 Qxc -0.3519757E+01 3,-1 167 3 -1 -3.336541 -3.208977 0.059992 Rho 0.1932178E+00 |GRAD(Rho)| 0.3326744E-14 GRAD(Rho)x -0.2436256E-14 GRAD(Rho)y 0.2248961E-14 GRAD(Rho)z -0.2721347E-15 Laplacian 0.7439011E+00 (-1/4)Del**2(Rho)) -0.1859753E+00 Diamond 0.2039301E+01 Metallicity 0.5981957E+01 Ellipticity 0.2781808E-02 Gb(Abramov) 0.3093996E+00 Vb(Abramov) -0.4328238E+00 Hb(Abramov) -0.1234243E+00 Ex_ueg -0.8249887E-01 Ec_ueg -0.1126544E-01 Delta_ex -0.8507761E-01 Delta_ec 0.1762800E-01 Delta_et -0.2414718E+00 Pxc 0.7323183E+01 Qxc -0.4826276E+01 3,-1 168 3 -1 -3.097170 2.017222 0.905314 Rho 0.1271451E+00 |GRAD(Rho)| 0.5233203E-14 GRAD(Rho)x 0.4591650E-14 GRAD(Rho)y -0.2445838E-14 GRAD(Rho)z 0.5666041E-15 Laplacian 0.5106180E+00 (-1/4)Del**2(Rho)) -0.1276545E+00 Diamond 0.8676943E+00 Metallicity 0.4338599E+01 Ellipticity 0.1602732E-01 Gb(Abramov) 0.1774099E+00 Vb(Abramov) -0.2271654E+00 Hb(Abramov) -0.4975545E-01 Ex_ueg -0.4721910E-01 Ec_ueg -0.6996951E-02 Delta_ex -0.5291541E-01 Delta_ec 0.1391407E-01 Delta_et -0.1813776E+00 Pxc 0.6748525E+01 Qxc -0.3803015E+01 3,-1 169 3 -1 -2.867832 -1.827237 0.610121 Rho 0.1327870E+00 |GRAD(Rho)| 0.1519711E-15 GRAD(Rho)x -0.2331035E-17 GRAD(Rho)y 0.1496470E-15 GRAD(Rho)z -0.2637322E-16 Laplacian 0.5616011E+00 (-1/4)Del**2(Rho)) -0.1404003E+00 Diamond 0.1003296E+01 Metallicity 0.4240767E+01 Ellipticity 0.1169088E-01 Gb(Abramov) 0.1928343E+00 Vb(Abramov) -0.2452684E+00 Hb(Abramov) -0.5243405E-01 Ex_ueg -0.5003329E-01 Ec_ueg -0.7350915E-02 Delta_ex -0.5878174E-01 Delta_ec 0.1510279E-01 Delta_et -0.1982380E+00 Pxc 0.6806403E+01 Qxc -0.3892112E+01 3,-1 170 3 -1 -1.873590 -0.577970 2.916739 Rho 0.1211116E+00 |GRAD(Rho)| 0.2713699E-15 GRAD(Rho)x -0.8296857E-16 GRAD(Rho)y 0.2549501E-15 GRAD(Rho)z 0.4193152E-16 Laplacian 0.5112693E+00 (-1/4)Del**2(Rho)) -0.1278173E+00 Diamond 0.8239872E+00 Metallicity 0.3995822E+01 Ellipticity 0.1455232E-01 Gb(Abramov) 0.1703341E+00 Vb(Abramov) -0.2128509E+00 Hb(Abramov) -0.4251678E-01 Ex_ueg -0.4425536E-01 Ec_ueg -0.6620790E-02 Delta_ex -0.5243339E-01 Delta_ec 0.1419675E-01 Delta_et -0.1836634E+00 Pxc 0.6684303E+01 Qxc -0.3693338E+01 3,-1 171 3 -1 -2.039489 0.882946 3.110804 Rho 0.1263972E+00 |GRAD(Rho)| 0.2082376E-15 GRAD(Rho)x 0.1275293E-15 GRAD(Rho)y 0.1539838E-15 GRAD(Rho)z -0.5820810E-16 Laplacian 0.5088874E+00 (-1/4)Del**2(Rho)) -0.1272219E+00 Diamond 0.8567460E+00 Metallicity 0.4310762E+01 Ellipticity 0.1043828E-01 Gb(Abramov) 0.1762184E+00 Vb(Abramov) -0.2252150E+00 Hb(Abramov) -0.4899658E-01 Ex_ueg -0.4684916E-01 Ec_ueg -0.6950193E-02 Delta_ex -0.5263815E-01 Delta_ec 0.1384364E-01 Delta_et -0.1802027E+00 Pxc 0.6740699E+01 Qxc -0.3802334E+01 3,-1 172 3 -1 -0.845783 -3.504385 -1.385661 Rho 0.3254416E+00 |GRAD(Rho)| 0.1194438E-14 GRAD(Rho)x -0.8748656E-15 GRAD(Rho)y 0.6460638E-15 GRAD(Rho)z -0.4938571E-15 Laplacian -0.1637506E+01 (-1/4)Del**2(Rho)) 0.4093764E+00 Diamond 0.5771802E+01 Metallicity -0.6479658E+01 Ellipticity 0.1118677E-02 Gb(Abramov) 0.1691856E+00 Vb(Abramov) -0.7477477E+00 Hb(Abramov) -0.5785621E+00 Ex_ueg -0.1653290E+00 Ec_ueg -0.2054599E-01 Delta_ex 0.1643914E+00 Delta_ec 0.5670068E-01 Delta_et -0.1356889E+01 Pxc 0.8046778E+01 Qxc 0.2899285E+01 3,-1 173 3 -1 -0.055487 -3.256288 3.304237 Rho 0.1930710E+00 |GRAD(Rho)| 0.1244596E-13 GRAD(Rho)x 0.1443236E-14 GRAD(Rho)y 0.8616697E-14 GRAD(Rho)z -0.8864057E-14 Laplacian 0.7357624E+00 (-1/4)Del**2(Rho)) -0.1839406E+00 Diamond 0.2015329E+01 Metallicity 0.6040468E+01 Ellipticity 0.3167794E-02 Gb(Abramov) 0.3078083E+00 Vb(Abramov) -0.4316760E+00 Hb(Abramov) -0.1238677E+00 Ex_ueg -0.8241528E-01 Ec_ueg -0.1125567E-01 Delta_ex -0.8413183E-01 Delta_ec 0.1744101E-01 Delta_et -0.2389016E+00 Pxc 0.7322113E+01 Qxc -0.4823793E+01 3,-1 174 3 -1 3.256455 0.056674 3.255303 Rho 0.2174255E+00 |GRAD(Rho)| 0.8722722E-15 GRAD(Rho)x -0.7604052E-15 GRAD(Rho)y -0.2454227E-15 GRAD(Rho)z -0.3498720E-15 Laplacian 0.7916703E+00 (-1/4)Del**2(Rho)) -0.1979176E+00 Diamond 0.2502162E+01 Metallicity 0.6843101E+01 Ellipticity 0.1795401E-02 Gb(Abramov) 0.3576734E+00 Vb(Abramov) -0.5174292E+00 Hb(Abramov) -0.1597558E+00 Ex_ueg -0.9656040E-01 Ec_ueg -0.1289258E-01 Delta_ex -0.9332449E-01 Delta_ec 0.1817019E-01 Delta_et -0.2511995E+00 Pxc 0.7489610E+01 Qxc -0.5136133E+01 3,-1 175 3 -1 3.250484 -3.270737 -0.029081 Rho 0.2129159E+00 |GRAD(Rho)| 0.6943467E-15 GRAD(Rho)x 0.6132247E-15 GRAD(Rho)y -0.3187554E-15 GRAD(Rho)z -0.6684106E-16 Laplacian 0.7845440E+00 (-1/4)Del**2(Rho)) -0.1961360E+00 Diamond 0.2417098E+01 Metallicity 0.6668209E+01 Ellipticity 0.9453905E-02 Gb(Abramov) 0.3487366E+00 Vb(Abramov) -0.5013373E+00 Hb(Abramov) -0.1526006E+00 Ex_ueg -0.9389931E-01 Ec_ueg -0.1258699E-01 Delta_ex -0.9198156E-01 Delta_ec 0.1810382E-01 Delta_et -0.2499036E+00 Pxc 0.7460027E+01 Qxc -0.5080782E+01 3,-1 176 3 -1 3.080884 2.006003 -0.866707 Rho 0.1531861E+00 |GRAD(Rho)| 0.1046930E-12 GRAD(Rho)x -0.4059025E-13 GRAD(Rho)y 0.5820271E-13 GRAD(Rho)z 0.7697727E-13 Laplacian 0.6120813E+00 (-1/4)Del**2(Rho)) -0.1530203E+00 Diamond 0.1284248E+01 Metallicity 0.4937454E+01 Ellipticity 0.2268626E-01 Gb(Abramov) 0.2279354E+00 Vb(Abramov) -0.3028504E+00 Hb(Abramov) -0.7491504E-01 Ex_ueg -0.6053562E-01 Ec_ueg -0.8647783E-02 Delta_ex -0.6619046E-01 Delta_ec 0.1565898E-01 Delta_et -0.2095542E+00 Pxc 0.7000131E+01 Qxc -0.4226997E+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 76 123 115 112 132 129 173 124 104 126 107 121 109 117 134 122 119 110 133 135 116 101 120 150 160 141 161 159 175 147 166 154 176 155 149 63 81 86 168 87 66 59 169 96 64 78 167 71 75 93 65 90 74 58 69 170 77 171 73 138 164 158 140 153 174 139 162 151 165 157 163 68 142 99 102 127 172 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 17 21 21 25 28 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 19 28 36 27 52 52 2.428765 1.961077 1.968079 2.045602 2.040693 1.826233 1.729051 1.701568 1.722989 1.727329 2.369710 1.930511 1.906441 1.935823 1.943033 1.781181 2.428164 2.038325 1.955255 2.022297 1.986523 1.831396 2.428152 1.908069 1.786222 2.143645 1.953092 1.789202 2.511978 2.026641 2.008171 1.916689 2.040215 1.830120 2.417953 1.940959 2.053334 1.987080 2.024798 1.832265 2.343783 1.961890 1.994786 2.063785 2.054296 1.825770 2.390405 2.027869 2.002089 1.929104 1.792377 1.792792 2.455927 2.003205 1.997579 2.015068 1.990361 1.828861 2.525441 1.919039 1.920458 1.899593 1.941271 1.781116 2.494904 2.038172 1.822122 2.180452 2.065111 1.846397 3.301998 3.237950 3.408336 3.286497 1.965136 0.990788 2.430879 1.961260 1.968298 2.045821 2.040930 1.826235 1.729060 1.701623 1.723007 1.727334 2.371519 1.931052 1.906805 1.936304 1.943464 1.781186 2.430218 2.038535 1.955449 2.022508 1.986721 1.831400 2.429828 1.908418 1.786287 2.144007 1.953557 1.789223 2.513940 2.026840 2.008357 1.916925 2.040422 1.830125 2.419588 1.941217 2.053508 1.987280 2.025026 1.832270 2.346385 1.962082 1.994955 2.064052 2.054726 1.825777 2.392757 2.028117 2.002492 1.929513 1.792486 1.792813 2.457825 2.003374 1.997739 2.015304 1.990572 1.828865 2.526834 1.919411 1.920857 1.900063 1.941693 1.781119 2.497169 2.038361 1.822191 2.180678 2.065314 1.846409 3.305061 3.255269 3.409103 3.288383 1.971682 0.990842 28 26 27 25 25 24 23 24 24 25 28 27 25 27 25 23 30 25 25 27 27 24 30 27 25 25 26 24 30 25 28 24 25 25 31 26 27 24 29 25 30 25 28 27 26 22 30 26 27 26 26 26 31 26 25 26 25 26 29 25 27 28 28 23 31 25 26 25 28 22 35 35 37 36 26 17 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Ta As W Ta W Ta Ta Ta W Ta W Ta 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 2.1058 2.3977 2.3509 2.1027 2.2870 2.0704 2.0905 2.1100 2.2992 2.0878 2.3304 1.9473 -1.0921 -1.0197 -1.0973 -1.0980 -1.0224 -1.0081 -1.0085 -1.0001 -0.9601 -0.9946 -0.9859 -1.0285 -0.9852 -1.0306 -1.0244 -0.8844 -1.0128 -1.0485 -1.0536 -1.0662 -1.0361 -1.0341 -1.0679 -0.9078 -0.9403 -1.0685 -1.0457 -1.0343 -1.0151 -1.0460 -0.9258 -1.0265 -0.9469 -1.0245 -1.0252 -1.0141 -0.9481 -1.0232 -0.9316 0.3032 2.1305 0.8713 2.1282 2.1347 2.1507 2.1410 2.1346 2.1457 2.1545 2.1426 2.1300 2.1700 1.9378 1.9470 1.9392 1.9338 1.9194 1.9247 1.9233 1.9230 1.9318 1.9238 1.9253 1.9189 1.9256 1.9184 1.9195 1.9522 1.9316 1.9280 1.9243 1.9224 1.9269 1.9278 1.9222 1.9388 1.8628 1.9225 1.9268 1.9273 1.9297 1.9239 1.9438 1.9276 1.9412 1.9284 1.9276 1.9296 1.9377 1.9286 1.9436 0.5648 6.0999 1.1913 6.1110 6.0934 6.1238 6.1021 6.0935 6.1045 6.1139 6.1028 6.1170 6.1186 5.1202 5.0377 5.1238 5.1309 5.0797 5.0578 5.0611 5.0511 5.0040 5.0453 5.0331 5.0861 5.0335 5.0884 5.0817 4.9021 5.0551 5.0945 5.1072 5.1200 5.0832 5.0805 5.1226 4.9418 5.0522 5.1226 5.0933 5.0807 5.0629 5.1013 4.9533 5.0769 4.9781 5.0739 5.0758 5.0621 4.9830 5.0723 4.9593 0.1320 2.6287 10.5397 3.3799 2.6341 3.4094 2.6517 2.6463 2.6050 3.4027 2.6319 3.3928 2.7309 0.0341 0.0351 0.0343 0.0333 0.0232 0.0256 0.0241 0.0260 0.0243 0.0255 0.0275 0.0235 0.0261 0.0238 0.0232 0.0301 0.0261 0.0261 0.0222 0.0238 0.0259 0.0258 0.0231 0.0271 0.0253 0.0234 0.0256 0.0263 0.0225 0.0208 0.0286 0.0220 0.0277 0.0222 0.0219 0.0223 0.0273 0.0222 0.0287 0.0000 14.0350 0.0000 14.0300 14.0351 14.0292 14.0348 14.0352 14.0348 14.0296 14.0350 14.0298 14.0332 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 Ta As W Ta W Ta Ta Ta W Ta W Ta 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 2.352536 2.302208 2.490517 2.349894 2.464748 2.341468 2.345882 2.373940 2.489386 2.347740 2.478937 2.311181 -1.086713 -1.035985 -1.084465 -1.099144 -1.091024 -1.050783 -1.067403 -1.052673 -1.076020 -1.052957 -1.020173 -1.092092 -1.041148 -1.087719 -1.090206 -0.905935 -1.049649 -1.067975 -1.128235 -1.117834 -1.071689 -1.070900 -1.120779 -0.985597 -0.759429 -1.120317 -1.076836 -1.070595 -1.133602 -1.187137 -0.998216 -1.152161 -1.024785 -1.148240 -1.151365 -1.128451 -1.028928 -1.147192 -1.005327 0.031244 1.820708 1.765109 1.924645 1.821608 1.913591 1.820267 1.815126 1.868406 1.935922 1.820972 1.915817 1.847533 -0.670236 -0.660094 -0.667488 -0.683116 -0.835152 -0.782927 -0.794569 -0.806363 -1.014860 -0.798496 -0.742190 -0.846610 -0.795003 -0.835958 -0.828609 -0.786830 -0.897765 -0.906862 -0.989256 -0.971877 -0.916472 -0.910501 -0.968329 -0.920073 -1.042534 -0.974665 -0.914324 -0.919561 -1.109302 -1.173022 -0.945287 -1.129293 -0.978683 -1.122361 -1.125101 -1.090880 -0.983412 -1.124782 -0.952541 0.345680 1.956654 1.682505 2.049420 1.961148 2.027986 1.953170 1.949410 1.983649 2.049471 1.964308 2.043567 1.962402 -0.770927 -0.751761 -0.772122 -0.779034 -0.936669 -0.872452 -0.884679 -0.898740 -1.027640 -0.885704 -0.838185 -0.932431 -0.872749 -0.960097 -0.924745 -0.840942 -0.927732 -0.936971 -1.020703 -1.014831 -0.946087 -0.958224 -1.007476 -0.894441 -1.001924 -1.013680 -0.958268 -0.947125 -1.073183 -1.151434 -0.906000 -1.097457 -0.939187 -1.094875 -1.093946 -1.068431 -0.962446 -1.090889 -0.913079 0.383577 2.79713734 -5.81194234 -6.35597752 9.05544594 -34.86919685 -14.72366869 37.07716490 23.22480216 16.12017335 11.64439469 -344.8190 413.6041 102.6431 -449.0011 -200.0735 -477.6463 Jun21-2024 08:02:00 Nodes: 1 Procs: 1 Jun21-2024 08:02:03 Nodes: 1 Procs: 1 0 Jun21-2024 08:02:05 Nodes: 1 Procs: 1 Jun21-2024 08:02:07 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:02:10 Nodes: 1 Procs: 1 Jun21-2024 08:02:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:02:17 Nodes: 1 Procs: 1 Jun21-2024 08:02:19 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:02:21 Nodes: 1 Procs: 1 Jun21-2024 08:02:23 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 08:02:28 Nodes: 1 Procs: 5 *** (NO TITLE) *** -13 -17.15901314 -17.40589178 -17.47335996 -17.47627032 -17.50147316 -17.51542502 -17.51795769 -17.52330884 -17.52823794 -17.53386370 -17.53985916 -17.54647753 -17.54746174 -17.54933780 -17.55072519 -17.55146971 -17.55229640 -17.55245239 -17.55272572 -17.55294308 -17.55317636 -17.55322394 -17.55325086 -17.55312700 -17.55317860 GEOMETRY CONVERGED