ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:43:04 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 1.08 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 Jun19-2024 11:43:04 Nodes: 1 Procs: 1 Jun19-2024 11:43:05 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:43:07 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.04 1.64 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 Jun19-2024 11:43:04 Nodes: 1 Procs: 1 Jun19-2024 11:43:05 Nodes: 1 Procs: 1 0 Jun19-2024 11:43:07 Nodes: 1 Procs: 1 Jun19-2024 11:43:08 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:43:11 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.07 2.74 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 Jun19-2024 11:43:04 Nodes: 1 Procs: 1 Jun19-2024 11:43:05 Nodes: 1 Procs: 1 0 Jun19-2024 11:43:07 Nodes: 1 Procs: 1 Jun19-2024 11:43:08 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:43:11 Nodes: 1 Procs: 1 Jun19-2024 11:43:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:43:17 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.51 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 Jun19-2024 11:43:04 Nodes: 1 Procs: 1 Jun19-2024 11:43:05 Nodes: 1 Procs: 1 0 Jun19-2024 11:43:07 Nodes: 1 Procs: 1 Jun19-2024 11:43:08 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:43:11 Nodes: 1 Procs: 1 Jun19-2024 11:43:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:43:17 Nodes: 1 Procs: 1 Jun19-2024 11:43:18 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:43:20 Hydrogen (TZP) c10-16 c10-16 c10-16 c10-16 c10-16 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.83 0.05 2.59 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 Jun19-2024 11:43:04 Nodes: 1 Procs: 1 Jun19-2024 11:43:05 Nodes: 1 Procs: 1 0 Jun19-2024 11:43:07 Nodes: 1 Procs: 1 Jun19-2024 11:43:08 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:43:11 Nodes: 1 Procs: 1 Jun19-2024 11:43:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:43:17 Nodes: 1 Procs: 1 Jun19-2024 11:43:18 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 11:43:20 Nodes: 1 Procs: 1 Jun19-2024 11:43:22 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:43:27 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2222.5708999999993 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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 Jun19-2024 11:43:22 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 11:43:18 1 1 Oxygen TZP 1s t21.Ta ADF 2019.304 Jun19-2024 11:43:13 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 11:43:08 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun19-2024 11:43:05 1 1 Hydrogen TZP 1 1 -12.52728641 0.27896276 0.00100000 F 0.11048895 0.00066667 F 0.27896276 0.11048895 0.16648522 0.01000000 F 0.05193364 0.00666667 F Cartesian 2222.5708999999993 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219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.296 -7.226 -7.202 -7.154 -7.093 -7.062 -6.996 -6.925 -6.865 -6.743 -3.926 -3.634 -3.234 -3.137 -3.112 -2.984 -2.863 -2.782 -2.739 -2.548 A A A A A A A A A A A A A A A A A A A A 0.00000000050764 0.00039201868967 0.00031145083896 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 74 74 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 73 33 1 0.366047 -2.341449 2.933611 -0.130756 2.175831 -2.645301 -0.053933 2.411070 2.761557 2.153252 -2.659479 -0.012087 2.388819 2.791542 -0.042728 -2.625344 0.087050 2.407344 2.782780 -0.036293 2.388663 2.807416 0.323457 -2.345536 3.458792 -3.801027 -0.154046 3.525407 4.063441 0.229281 -3.590403 4.093324 0.034555 0.936306 -0.992115 0.954285 -1.305685 -1.086374 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3,-3 4 3 -3 2.153252 -2.659479 -0.012087 Rho 0.4361414E+07 3,-3 5 3 -3 2.388819 2.791542 -0.042728 Rho 0.4361414E+07 3,-3 6 3 -3 -2.625344 0.087050 2.407344 Rho 0.4361414E+07 3,-3 7 3 -3 2.782780 -0.036293 2.388663 Rho 0.4361414E+07 3,-3 8 3 -3 2.807416 0.323457 -2.345536 Rho 0.4361415E+07 3,-3 9 3 -3 3.458792 -3.801027 -0.154046 Rho 0.3193400E+03 3,-3 10 3 -3 3.525407 4.063441 0.229281 Rho 0.3193841E+03 3,-3 11 3 -3 -3.590403 4.093324 0.034555 Rho 0.3192337E+03 3,-3 12 3 -3 0.936306 -0.992115 0.954285 Rho 0.3190149E+03 3,-3 13 3 -3 -1.305685 -1.086374 -0.853413 Rho 0.3193064E+03 3,-3 14 3 -3 0.850000 0.874471 -1.025365 Rho 0.3190324E+03 3,-3 15 3 -3 -0.985124 0.972934 1.002964 Rho 0.3189624E+03 3,-3 16 3 -3 -3.099948 -1.098484 1.019658 Rho 0.3188069E+03 3,-3 17 3 -3 2.664386 -1.230735 -1.302241 Rho 0.3187767E+03 3,-3 18 3 -3 4.048235 0.291881 3.520435 Rho 0.3193733E+03 3,-3 19 3 -3 3.044061 1.281261 1.105842 Rho 0.3188790E+03 3,-3 20 3 -3 0.280816 3.472898 4.078767 Rho 0.3193964E+03 3,-3 21 3 -3 1.242044 1.091860 3.010139 Rho 0.3188979E+03 3,-3 22 3 -3 -1.141137 0.950684 -3.361009 Rho 0.3193426E+03 3,-3 23 3 -3 -1.166331 -1.303926 2.804827 Rho 0.3188318E+03 3,-3 24 3 -3 -1.350895 2.697023 -1.249923 Rho 0.3187603E+03 3,-3 25 3 -3 -0.202988 3.493568 -3.784204 Rho 0.3193166E+03 3,-3 26 3 -3 1.128707 3.079777 1.310173 Rho 0.3188618E+03 3,-3 27 3 -3 0.922529 -3.301390 -1.062123 Rho 0.3193671E+03 3,-3 28 3 -3 3.365750 -1.491117 1.454267 Rho 0.3190771E+03 3,-3 29 3 -3 4.039390 -0.080081 -3.487874 Rho 0.3193832E+03 3,-3 30 3 -3 3.545716 1.664112 -1.362073 Rho 0.3190348E+03 3,-3 31 3 -3 -3.443443 1.567815 1.515724 Rho 0.3189386E+03 3,-3 32 3 -3 1.724504 -1.354253 3.626011 Rho 0.3190501E+03 3,-3 33 3 -3 1.568740 1.221421 -3.384575 Rho 0.3189936E+03 3,-3 34 3 -3 -1.497698 1.345708 3.445921 Rho 0.3189657E+03 3,-3 35 3 -3 -3.806925 -0.312074 3.600216 Rho 0.3194008E+03 3,-3 36 3 -3 -1.379590 3.545067 1.810379 Rho 0.3189607E+03 3,-3 37 3 -3 1.232436 -3.390184 1.650760 Rho 0.3189628E+03 3,-3 38 3 -3 1.419539 3.337085 -1.474959 Rho 0.3190943E+03 3,-3 39 3 -3 -0.000569 -3.479892 4.180604 Rho 0.3193819E+03 3,-3 40 3 -3 -2.410087 2.832562 0.386268 Rho 0.3882646E+07 3,-3 41 3 -3 -0.186332 -0.136653 -0.070729 Rho 0.4276100E+05 3,-3 42 3 -3 -2.459985 -1.171014 0.212533 Rho 0.4044076E+00 3,-3 43 3 -1 -1.666102 1.856169 0.680040 Rho 0.4392653E-01 |GRAD(Rho)| 0.6151547E-16 GRAD(Rho)x 0.1229553E-16 GRAD(Rho)y -0.5748093E-16 GRAD(Rho)z 0.1813603E-16 Laplacian 0.1853671E+00 (-1/4)Del**2(Rho)) -0.4634179E-01 Diamond 0.8262829E-01 Metallicity 0.2032943E+01 Ellipticity 0.2744684E-01 Gb(Abramov) 0.4659623E-01 Vb(Abramov) -0.4685067E-01 Hb(Abramov) -0.2544406E-03 Ex_ueg -0.1144689E-01 Ec_ueg -0.2082013E-02 Delta_ex -0.1496699E-01 Delta_ec 0.5878688E-02 Delta_et -0.5997175E-01 Pxc 0.5497994E+01 Qxc -0.2545974E+01 3,-1 44 3 +1 0.523442 1.708998 0.493996 Rho 0.6402367E-02 |GRAD(Rho)| 0.2160439E-13 GRAD(Rho)x 0.8269674E-14 GRAD(Rho)y -0.1437638E-13 GRAD(Rho)z -0.1384492E-13 Laplacian 0.2453212E-01 (-1/4)Del**2(Rho)) -0.6133031E-02 Diamond 0.4443993E-03 Metallicity 0.6200771E+00 Ellipticity -0.1365508E+01 Gb(Abramov) 0.4722512E-02 Vb(Abramov) -0.3311994E-02 Hb(Abramov) 0.1410518E-02 Ex_ueg -0.8780229E-03 Ec_ueg -0.2077528E-03 Delta_ex -0.1044405E-02 Delta_ec 0.3510744E-03 Delta_et -0.2217531E-02 Pxc 0.4226288E+01 Qxc -0.2974881E+01 3,+1 45 3 -1 -3.046418 3.511884 0.196921 Rho 0.2290925E+00 |GRAD(Rho)| 0.4222808E-12 GRAD(Rho)x 0.2858958E-12 GRAD(Rho)y -0.2985733E-12 GRAD(Rho)z 0.8624761E-13 Laplacian 0.8518073E+00 (-1/4)Del**2(Rho)) -0.2129518E+00 Diamond 0.2824714E+01 Metallicity 0.6938887E+01 Ellipticity 0.6828524E-02 Gb(Abramov) 0.3882426E+00 Vb(Abramov) -0.5635335E+00 Hb(Abramov) -0.1752908E+00 Ex_ueg -0.1035300E+00 Ec_ueg -0.1368837E-01 Delta_ex -0.1015409E+00 Delta_ec 0.1883401E-01 Delta_et -0.2593913E+00 Pxc 0.7563355E+01 Qxc -0.5391359E+01 3,-1 46 3 -1 -3.042869 0.879363 1.923446 Rho 0.1552585E+00 |GRAD(Rho)| 0.1017496E-12 GRAD(Rho)x 0.2808595E-13 GRAD(Rho)y -0.7382376E-13 GRAD(Rho)z 0.6414212E-13 Laplacian 0.5903435E+00 (-1/4)Del**2(Rho)) -0.1475859E+00 Diamond 0.1258173E+01 Metallicity 0.5235208E+01 Ellipticity 0.2295857E-01 Gb(Abramov) 0.2271644E+00 Vb(Abramov) -0.3067429E+00 Hb(Abramov) -0.7957850E-01 Ex_ueg -0.6163000E-01 Ec_ueg -0.8780978E-02 Delta_ex -0.6404527E-01 Delta_ec 0.1504193E-01 Delta_et -0.2016443E+00 Pxc 0.7018580E+01 Qxc -0.4257783E+01 3,-1 47 3 -1 -2.944697 2.150822 0.982209 Rho 0.1258652E+00 |GRAD(Rho)| 0.5270392E-15 GRAD(Rho)x -0.4824293E-15 GRAD(Rho)y -0.1528861E-15 GRAD(Rho)z -0.1471669E-15 Laplacian 0.5155501E+00 (-1/4)Del**2(Rho)) -0.1288875E+00 Diamond 0.8672276E+00 Metallicity 0.4225244E+01 Ellipticity 0.2846527E-01 Gb(Abramov) 0.1766886E+00 Vb(Abramov) -0.2244896E+00 Hb(Abramov) -0.4780104E-01 Ex_ueg -0.4658642E-01 Ec_ueg -0.6916951E-02 Delta_ex -0.5331967E-01 Delta_ec 0.1412084E-01 Delta_et -0.1838187E+00 Pxc 0.6735109E+01 Qxc -0.3775957E+01 3,-1 48 3 +1 -1.779670 -0.342309 0.655610 Rho 0.1314463E-01 |GRAD(Rho)| 0.4609397E-11 GRAD(Rho)x -0.8754534E-12 GRAD(Rho)y 0.2016322E-11 GRAD(Rho)z 0.4051489E-11 Laplacian 0.5265248E-01 (-1/4)Del**2(Rho)) -0.1316312E-01 Diamond 0.2245242E-02 Metallicity 0.9581679E+00 Ellipticity -0.1465544E+01 Gb(Abramov) 0.1087749E-01 Vb(Abramov) -0.8591866E-02 Hb(Abramov) 0.2285627E-02 Ex_ueg -0.2291129E-02 Ec_ueg -0.5126636E-03 Delta_ex -0.2614030E-02 Delta_ec 0.6169274E-03 Delta_et -0.4778180E-02 Pxc 0.4469069E+01 Qxc -0.4237176E+01 3,+1 49 3 -1 -2.850325 -0.538433 1.652858 Rho 0.1664485E+00 |GRAD(Rho)| 0.2085785E-15 GRAD(Rho)x 0.5928553E-16 GRAD(Rho)y 0.1942619E-15 GRAD(Rho)z 0.4746095E-16 Laplacian 0.6411674E+00 (-1/4)Del**2(Rho)) -0.1602919E+00 Diamond 0.1490806E+01 Metallicity 0.5413044E+01 Ellipticity 0.9026341E-01 Gb(Abramov) 0.2514724E+00 Vb(Abramov) -0.3426529E+00 Hb(Abramov) -0.9118053E-01 Ex_ueg -0.6762256E-01 Ec_ueg -0.9504640E-02 Delta_ex -0.7081226E-01 Delta_ec 0.1613315E-01 Delta_et -0.2184541E+00 Pxc 0.7114689E+01 Qxc -0.4389239E+01 3,-1 50 3 +1 0.498102 0.460826 1.693040 Rho 0.7633433E-02 |GRAD(Rho)| 0.1395068E-14 GRAD(Rho)x -0.1045925E-14 GRAD(Rho)y -0.1235992E-15 GRAD(Rho)z -0.9148660E-15 Laplacian 0.3063906E-01 (-1/4)Del**2(Rho)) -0.7659765E-02 Diamond 0.6930616E-03 Metallicity 0.6655862E+00 Ellipticity -0.1365782E+01 Gb(Abramov) 0.5956215E-02 Vb(Abramov) -0.4252666E-02 Hb(Abramov) 0.1703549E-02 Ex_ueg -0.1110056E-02 Ec_ueg -0.2619430E-03 Delta_ex -0.1356206E-02 Delta_ec 0.4273643E-03 Delta_et -0.2835664E-02 Pxc 0.4237778E+01 Qxc -0.3173420E+01 3,+1 51 3 +1 -0.103211 0.046192 2.829442 Rho 0.4656295E-02 |GRAD(Rho)| 0.5132223E-17 GRAD(Rho)x 0.8075483E-18 GRAD(Rho)y 0.5024423E-17 GRAD(Rho)z 0.6653920E-18 Laplacian 0.1916302E-01 (-1/4)Del**2(Rho)) -0.4790754E-02 Diamond 0.3525996E-03 Metallicity 0.4668923E+00 Ellipticity -0.1737661E+01 Gb(Abramov) 0.3566631E-02 Vb(Abramov) -0.2342507E-02 Hb(Abramov) 0.1224124E-02 Ex_ueg -0.5742562E-03 Ec_ueg -0.1321519E-03 Delta_ex -0.8852151E-03 Delta_ec 0.5059099E-03 Delta_et -0.2729046E-02 Pxc 0.4345426E+01 Qxc -0.1749749E+01 3,+1 52 3 +1 -2.161035 1.488206 1.087316 Rho 0.2821862E-01 |GRAD(Rho)| 0.8344546E-16 GRAD(Rho)x 0.5422105E-16 GRAD(Rho)y -0.5987860E-16 GRAD(Rho)z 0.2092312E-16 Laplacian 0.1077703E+00 (-1/4)Del**2(Rho)) -0.2694258E-01 Diamond 0.1413227E-01 Metallicity 0.1672400E+01 Ellipticity -0.2472370E+01 Gb(Abramov) 0.2547151E-01 Vb(Abramov) -0.2400045E-01 Hb(Abramov) 0.1471063E-02 Ex_ueg -0.6345015E-02 Ec_ueg -0.1252093E-02 Delta_ex -0.6690951E-02 Delta_ec 0.1412774E-02 Delta_et -0.1290035E-01 Pxc 0.5067528E+01 Qxc -0.4736040E+01 3,+1 53 3 +1 -0.018032 2.757162 -0.028269 Rho 0.3672937E-02 |GRAD(Rho)| 0.1471204E-13 GRAD(Rho)x 0.1000546E-13 GRAD(Rho)y 0.4648823E-14 GRAD(Rho)z -0.9732585E-14 Laplacian 0.1443140E-01 (-1/4)Del**2(Rho)) -0.3607849E-02 Diamond 0.1864293E-03 Metallicity 0.4175039E+00 Ellipticity -0.1501237E+01 Gb(Abramov) 0.2656281E-02 Vb(Abramov) -0.1704713E-02 Hb(Abramov) 0.9515678E-03 Ex_ueg -0.4185394E-03 Ec_ueg -0.9025863E-04 Delta_ex -0.6266189E-03 Delta_ec 0.3644638E-03 Delta_et -0.1840899E-02 Pxc 0.4637112E+01 Qxc -0.1719290E+01 3,+1 54 3 -1 -1.843381 2.752397 -0.480187 Rho 0.1311550E+00 |GRAD(Rho)| 0.1797544E-15 GRAD(Rho)x 0.1174191E-15 GRAD(Rho)y -0.3494858E-16 GRAD(Rho)z -0.1315408E-15 Laplacian 0.5822815E+00 (-1/4)Del**2(Rho)) -0.1455704E+00 Diamond 0.1016399E+01 Metallicity 0.4006715E+01 Ellipticity 0.2965913E-01 Gb(Abramov) 0.1942567E+00 Vb(Abramov) -0.2429431E+00 Hb(Abramov) -0.4868637E-01 Ex_ueg -0.4921510E-01 Ec_ueg -0.7248313E-02 Delta_ex -0.6066438E-01 Delta_ec 0.1552404E-01 Delta_et -0.2030176E+00 Pxc 0.6789869E+01 Qxc -0.3907769E+01 3,-1 55 3 -1 -1.852933 3.202385 1.144566 Rho 0.1588429E+00 |GRAD(Rho)| 0.2153671E-15 GRAD(Rho)x -0.9218429E-16 GRAD(Rho)y -0.8578750E-17 GRAD(Rho)z -0.1944517E-15 Laplacian 0.6224117E+00 (-1/4)Del**2(Rho)) -0.1556029E+00 Diamond 0.1386478E+01 Metallicity 0.5158008E+01 Ellipticity 0.3597491E-01 Gb(Abramov) 0.2375021E+00 Vb(Abramov) -0.3194013E+00 Hb(Abramov) -0.8189920E-01 Ex_ueg -0.6353440E-01 Ec_ueg -0.9011972E-02 Delta_ex -0.6811866E-01 Delta_ec 0.1614920E-01 Delta_et -0.2180939E+00 Pxc 0.7050000E+01 Qxc -0.4218083E+01 3,-1 56 3 +1 -1.165038 2.221021 1.391453 Rho 0.2392074E-01 |GRAD(Rho)| 0.1486733E-16 GRAD(Rho)x 0.1189911E-16 GRAD(Rho)y -0.3447193E-17 GRAD(Rho)z -0.8219827E-17 Laplacian 0.8598034E-01 (-1/4)Del**2(Rho)) -0.2149509E-01 Diamond 0.9941698E-02 Metallicity 0.1591616E+01 Ellipticity -0.3565670E+01 Gb(Abramov) 0.2003204E-01 Vb(Abramov) -0.1856900E-01 Hb(Abramov) 0.1463043E-02 Ex_ueg -0.5090391E-02 Ec_ueg -0.1034530E-02 Delta_ex -0.5211121E-02 Delta_ec 0.1327221E-02 Delta_et -0.1162399E-01 Pxc 0.4920487E+01 Qxc -0.3926340E+01 3,+1 57 3 -1 -1.767846 0.520054 1.668625 Rho 0.5607780E-01 |GRAD(Rho)| 0.6280492E-16 GRAD(Rho)x 0.3345357E-16 GRAD(Rho)y 0.2500102E-16 GRAD(Rho)z -0.4690699E-16 Laplacian 0.2212961E+00 (-1/4)Del**2(Rho)) -0.5532403E-01 Diamond 0.1281275E+00 Metallicity 0.2558336E+01 Ellipticity 0.1612768E-01 Gb(Abramov) 0.6047227E-01 Vb(Abramov) -0.6562050E-01 Hb(Abramov) -0.5148233E-02 Ex_ueg -0.1585281E-01 Ec_ueg -0.2753487E-02 Delta_ex -0.1864104E-01 Delta_ec 0.6390776E-02 Delta_et -0.6934234E-01 Pxc 0.5757358E+01 Qxc -0.2916867E+01 3,-1 58 3 -1 -2.013534 0.753289 2.940447 Rho 0.1288265E+00 |GRAD(Rho)| 0.3217227E-14 GRAD(Rho)x 0.1467495E-14 GRAD(Rho)y 0.2379065E-14 GRAD(Rho)z 0.1592815E-14 Laplacian 0.5108510E+00 (-1/4)Del**2(Rho)) -0.1277128E+00 Diamond 0.8650349E+00 Metallicity 0.4432622E+01 Ellipticity 0.2246116E-01 Gb(Abramov) 0.1794922E+00 Vb(Abramov) -0.2312717E+00 Hb(Abramov) -0.5177947E-01 Ex_ueg -0.4805351E-01 Ec_ueg -0.7102218E-02 Delta_ex -0.5290014E-01 Delta_ec 0.1351009E-01 Delta_et -0.1758529E+00 Pxc 0.6765987E+01 Qxc -0.3915603E+01 3,-1 59 3 +1 -0.683563 1.467093 -0.572074 Rho 0.1041500E-01 |GRAD(Rho)| 0.2411638E-16 GRAD(Rho)x 0.1470545E-16 GRAD(Rho)y -0.1883462E-16 GRAD(Rho)z 0.3256756E-17 Laplacian 0.4028452E-01 (-1/4)Del**2(Rho)) -0.1007113E-01 Diamond 0.1340400E-02 Metallicity 0.8496501E+00 Ellipticity -0.1482151E+01 Gb(Abramov) 0.8140243E-02 Vb(Abramov) -0.6209356E-02 Hb(Abramov) 0.1930887E-02 Ex_ueg -0.1679824E-02 Ec_ueg -0.3869031E-03 Delta_ex -0.1911750E-02 Delta_ec 0.5297032E-03 Delta_et -0.3830161E-02 Pxc 0.4341718E+01 Qxc -0.3609096E+01 3,+1 60 3 +1 -1.055150 1.305221 2.205432 Rho 0.3002428E-01 |GRAD(Rho)| 0.1994217E-13 GRAD(Rho)x 0.9150282E-14 GRAD(Rho)y 0.1308612E-13 GRAD(Rho)z 0.1194638E-13 Laplacian 0.1190396E+00 (-1/4)Del**2(Rho)) -0.2975991E-01 Diamond 0.1948094E-01 Metallicity 0.1678969E+01 Ellipticity -0.4105451E+01 Gb(Abramov) 0.2816760E-01 Vb(Abramov) -0.2657529E-01 Hb(Abramov) 0.1592309E-02 Ex_ueg -0.6892053E-02 Ec_ueg -0.1344860E-02 Delta_ex -0.7729689E-02 Delta_ec 0.1935595E-02 Delta_et -0.1786350E-01 Pxc 0.5124737E+01 Qxc -0.3993444E+01 3,+1 61 3 +1 1.673622 0.530870 0.462398 Rho 0.6549143E-02 |GRAD(Rho)| 0.5823532E-17 GRAD(Rho)x -0.5184968E-17 GRAD(Rho)y -0.2559454E-17 GRAD(Rho)z -0.6919688E-18 Laplacian 0.2532853E-01 (-1/4)Del**2(Rho)) -0.6332132E-02 Diamond 0.4753867E-03 Metallicity 0.6237022E+00 Ellipticity -0.1368532E+01 Gb(Abramov) 0.4879649E-02 Vb(Abramov) -0.3427166E-02 Hb(Abramov) 0.1452483E-02 Ex_ueg -0.9049634E-03 Ec_ueg -0.2141760E-03 Delta_ex -0.1085773E-02 Delta_ec 0.3650458E-03 Delta_et -0.2317354E-02 Pxc 0.4225325E+01 Qxc -0.2974346E+01 3,+1 62 3 -1 -0.773764 2.447098 -1.896519 Rho 0.1445140E+00 |GRAD(Rho)| 0.4714084E-15 GRAD(Rho)x 0.2892516E-15 GRAD(Rho)y -0.1194655E-16 GRAD(Rho)z -0.3720440E-15 Laplacian 0.5986039E+00 (-1/4)Del**2(Rho)) -0.1496510E+00 Diamond 0.1170453E+01 Metallicity 0.4581316E+01 Ellipticity 0.2845838E-01 Gb(Abramov) 0.2140337E+00 Vb(Abramov) -0.2784165E+00 Hb(Abramov) -0.6438275E-01 Ex_ueg -0.5600993E-01 Ec_ueg -0.8093263E-02 Delta_ex -0.6380942E-01 Delta_ec 0.1552417E-01 Delta_et -0.2059923E+00 Pxc 0.6920563E+01 Qxc -0.4110327E+01 3,-1 63 3 +3 0.007472 2.479288 -0.014766 Rho 0.3623085E-02 |GRAD(Rho)| 0.5453630E-17 GRAD(Rho)x 0.1585619E-17 GRAD(Rho)y 0.3165167E-17 GRAD(Rho)z 0.4148447E-17 Laplacian 0.1439502E-01 (-1/4)Del**2(Rho)) -0.3598755E-02 Diamond 0.1231779E-03 Metallicity 0.4091336E+00 Ellipticity -0.5155644E+00 Gb(Abramov) 0.2644565E-02 Vb(Abramov) -0.1690375E-02 Hb(Abramov) 0.9541897E-03 Ex_ueg -0.4109823E-03 Ec_ueg -0.8814846E-04 Delta_ex -0.5386026E-03 Delta_ec 0.2122417E-03 Delta_et -0.1145756E-02 Pxc 0.4662388E+01 Qxc -0.2537685E+01 3,+3 64 3 -1 -0.757281 2.993960 2.239399 Rho 0.1275097E+00 |GRAD(Rho)| 0.4617085E-14 GRAD(Rho)x 0.3650265E-14 GRAD(Rho)y -0.1588553E-14 GRAD(Rho)z 0.2338705E-14 Laplacian 0.5063966E+00 (-1/4)Del**2(Rho)) -0.1265991E+00 Diamond 0.8435782E+00 Metallicity 0.4395696E+01 Ellipticity 0.8339161E-02 Gb(Abramov) 0.1771480E+00 Vb(Abramov) -0.2276968E+00 Hb(Abramov) -0.5054884E-01 Ex_ueg -0.4739974E-01 Ec_ueg -0.7019762E-02 Delta_ex -0.5226755E-01 Delta_ec 0.1335007E-01 Delta_et -0.1733402E+00 Pxc 0.6752328E+01 Qxc -0.3915151E+01 3,-1 65 3 +1 1.785707 1.795516 1.782597 Rho 0.1216772E-01 |GRAD(Rho)| 0.9870172E-17 GRAD(Rho)x 0.4544054E-17 GRAD(Rho)y 0.6594671E-17 GRAD(Rho)z -0.5769071E-17 Laplacian 0.6071408E-01 (-1/4)Del**2(Rho)) -0.1517852E-01 Diamond 0.2465736E-02 Metallicity 0.7305881E+00 Ellipticity -0.1246653E+01 Gb(Abramov) 0.1196722E-01 Vb(Abramov) -0.8755923E-02 Hb(Abramov) 0.3211299E-02 Ex_ueg -0.2066954E-02 Ec_ueg -0.4673172E-03 Delta_ex -0.2991390E-02 Delta_ec 0.7810554E-03 Delta_et -0.5881866E-02 Pxc 0.4423021E+01 Qxc -0.3829933E+01 3,+1 66 3 -1 0.040042 -2.018474 -0.767122 Rho 0.7178196E-02 |GRAD(Rho)| 0.8583623E-17 GRAD(Rho)x 0.7479193E-17 GRAD(Rho)y -0.4123094E-17 GRAD(Rho)z -0.8604382E-18 Laplacian 0.2566014E-01 (-1/4)Del**2(Rho)) -0.6415036E-02 Diamond 0.9903680E-03 Metallicity 0.7173201E+00 Ellipticity 0.7422710E+01 Gb(Abramov) 0.5043630E-02 Vb(Abramov) -0.3672223E-02 Hb(Abramov) 0.1371406E-02 Ex_ueg -0.1022678E-02 Ec_ueg -0.2418211E-03 Delta_ex -0.1380225E-02 Delta_ec 0.8252191E-03 Delta_et -0.4987148E-02 Pxc 0.4229069E+01 Qxc -0.1672556E+01 3,-1 67 3 +1 0.093016 -1.977011 -0.719226 Rho 0.7175804E-02 |GRAD(Rho)| 0.5599736E-17 GRAD(Rho)x 0.2701979E-17 GRAD(Rho)y -0.4715016E-17 GRAD(Rho)z -0.1350917E-17 Laplacian 0.2540015E-01 (-1/4)Del**2(Rho)) -0.6350037E-02 Diamond 0.8929723E-03 Metallicity 0.7242601E+00 Ellipticity -0.8814281E+01 Gb(Abramov) 0.4999871E-02 Vb(Abramov) -0.3649705E-02 Hb(Abramov) 0.1350166E-02 Ex_ueg -0.1022223E-02 Ec_ueg -0.2417156E-03 Delta_ex -0.1316290E-02 Delta_ec 0.7278409E-03 Delta_et -0.4431416E-02 Pxc 0.4229034E+01 Qxc -0.1808486E+01 3,+1 68 3 +1 2.131030 -1.392128 1.039698 Rho 0.2851541E-01 |GRAD(Rho)| 0.8212377E-16 GRAD(Rho)x 0.7567702E-16 GRAD(Rho)y -0.7656194E-17 GRAD(Rho)z 0.3096264E-16 Laplacian 0.1129780E+00 (-1/4)Del**2(Rho)) -0.2824451E-01 Diamond 0.1768959E-01 Metallicity 0.1623374E+01 Ellipticity -0.4237584E+01 Gb(Abramov) 0.2647157E-01 Vb(Abramov) -0.2469864E-01 Hb(Abramov) 0.1772936E-02 Ex_ueg -0.6434152E-02 Ec_ueg -0.1267288E-02 Delta_ex -0.7276978E-02 Delta_ec 0.1913517E-02 Delta_et -0.1743766E-01 Pxc 0.5077104E+01 Qxc -0.3802934E+01 3,+1 69 3 -1 -0.450695 -1.780714 2.857921 Rho 0.1717805E+00 |GRAD(Rho)| 0.3796264E-13 GRAD(Rho)x 0.3075405E-13 GRAD(Rho)y -0.2178094E-13 GRAD(Rho)z 0.4576187E-14 Laplacian 0.7289612E+00 (-1/4)Del**2(Rho)) -0.1822403E+00 Diamond 0.1704502E+01 Metallicity 0.5018014E+01 Ellipticity 0.3388160E-01 Gb(Abramov) 0.2739076E+00 Vb(Abramov) -0.3655749E+00 Hb(Abramov) -0.9166730E-01 Ex_ueg -0.7052616E-01 Ec_ueg -0.9852066E-02 Delta_ex -0.8067825E-01 Delta_ec 0.1736599E-01 Delta_et -0.2337793E+00 Pxc 0.7158515E+01 Qxc -0.4645763E+01 3,-1 70 3 +1 -0.610485 -0.604040 1.548817 Rho 0.1032276E-01 |GRAD(Rho)| 0.1294409E-16 GRAD(Rho)x 0.4412923E-17 GRAD(Rho)y 0.8698989E-17 GRAD(Rho)z -0.8509002E-17 Laplacian 0.4011898E-01 (-1/4)Del**2(Rho)) -0.1002974E-01 Diamond 0.1362142E-02 Metallicity 0.8406001E+00 Ellipticity -0.1510778E+01 Gb(Abramov) 0.8091664E-02 Vb(Abramov) -0.6153583E-02 Hb(Abramov) 0.1938081E-02 Ex_ueg -0.1660017E-02 Ec_ueg -0.3827059E-03 Delta_ex -0.1914821E-02 Delta_ec 0.5548943E-03 Delta_et -0.3981154E-02 Pxc 0.4337579E+01 Qxc -0.3450785E+01 3,+1 71 3 -1 -0.731677 -0.598957 -0.450029 Rho 0.2014390E+00 |GRAD(Rho)| 0.3231297E-12 GRAD(Rho)x 0.2207852E-12 GRAD(Rho)y 0.1815423E-12 GRAD(Rho)z 0.1506954E-12 Laplacian 0.5476558E+00 (-1/4)Del**2(Rho)) -0.1369140E+00 Diamond 0.1531364E+01 Metallicity 0.8709867E+01 Ellipticity 0.1839225E-01 Gb(Abramov) 0.2900264E+00 Vb(Abramov) -0.4431388E+00 Hb(Abramov) -0.1531124E+00 Ex_ueg -0.8721207E-01 Ec_ueg -0.1181437E-01 Delta_ex -0.6298575E-01 Delta_ec 0.1226662E-01 Delta_et -0.1666590E+00 Pxc 0.7381861E+01 Qxc -0.5134729E+01 3,-1 72 3 +3 1.075830 1.096354 1.026396 Rho 0.3928086E-02 |GRAD(Rho)| 0.1865140E-12 GRAD(Rho)x 0.4954378E-14 GRAD(Rho)y 0.1844903E-12 GRAD(Rho)z 0.2694936E-13 Laplacian 0.1534376E-01 (-1/4)Del**2(Rho)) -0.3835939E-02 Diamond 0.8568857E-04 Metallicity 0.4391873E+00 Ellipticity -0.1162156E+00 Gb(Abramov) 0.2838076E-02 Vb(Abramov) -0.1840212E-02 Hb(Abramov) 0.9978638E-03 Ex_ueg -0.4577479E-03 Ec_ueg -0.1010797E-03 Delta_ex -0.5071044E-03 Delta_ec 0.8734097E-04 Delta_et -0.6042683E-03 Pxc 0.4528584E+01 Qxc -0.5806031E+01 3,+3 73 3 -1 -0.568994 0.397299 0.444705 Rho 0.1692555E+00 |GRAD(Rho)| 0.2336474E-15 GRAD(Rho)x 0.1578598E-15 GRAD(Rho)y -0.1700029E-15 GRAD(Rho)z 0.2775558E-16 Laplacian 0.4378923E+00 (-1/4)Del**2(Rho)) -0.1094731E+00 Diamond 0.1046804E+01 Metallicity 0.8149867E+01 Ellipticity 0.8379987E-02 Gb(Abramov) 0.2216806E+00 Vb(Abramov) -0.3338880E+00 Hb(Abramov) -0.1122075E+00 Ex_ueg -0.6914734E-01 Ec_ueg -0.9687333E-02 Delta_ex -0.4863121E-01 Delta_ec 0.1109235E-01 Delta_et -0.1508349E+00 Pxc 0.7137913E+01 Qxc -0.4384210E+01 3,-1 74 3 +3 -0.017467 0.003737 2.387432 Rho 0.4419429E-02 |GRAD(Rho)| 0.1462612E-14 GRAD(Rho)x 0.5085487E-15 GRAD(Rho)y -0.5990758E-15 GRAD(Rho)z -0.1233580E-14 Laplacian 0.1814776E-01 (-1/4)Del**2(Rho)) -0.4536940E-02 Diamond 0.1755369E-03 Metallicity 0.4519257E+00 Ellipticity -0.4156690E+00 Gb(Abramov) 0.3366354E-02 Vb(Abramov) -0.2195767E-02 Hb(Abramov) 0.1170587E-02 Ex_ueg -0.5356403E-03 Ec_ueg -0.1220147E-03 Delta_ex -0.6809398E-03 Delta_ec 0.2138152E-03 Delta_et -0.1265181E-02 Pxc 0.4389967E+01 Qxc -0.3184711E+01 3,+3 75 3 -1 -0.675247 1.512065 -3.032592 Rho 0.2408847E+00 |GRAD(Rho)| 0.5373941E-15 GRAD(Rho)x 0.7779151E-16 GRAD(Rho)y 0.4549312E-15 GRAD(Rho)z 0.2752789E-15 Laplacian 0.9117917E+00 (-1/4)Del**2(Rho)) -0.2279479E+00 Diamond 0.3211422E+01 Metallicity 0.7048003E+01 Ellipticity 0.1618465E-01 Gb(Abramov) 0.4197282E+00 Vb(Abramov) -0.6115085E+00 Hb(Abramov) -0.1917803E+00 Ex_ueg -0.1106957E+00 Ec_ueg -0.1450029E-01 Delta_ex -0.1101225E+00 Delta_ec 0.1985890E-01 Delta_et -0.2739547E+00 Pxc 0.7634031E+01 Qxc -0.5545248E+01 3,-1 76 3 -1 -0.517590 1.660703 1.844748 Rho 0.4138085E-01 |GRAD(Rho)| 0.1479470E-12 GRAD(Rho)x 0.5439976E-13 GRAD(Rho)y 0.8727423E-13 GRAD(Rho)z 0.1063588E-12 Laplacian 0.1606481E+00 (-1/4)Del**2(Rho)) -0.4016202E-01 Diamond 0.6094772E-01 Metallicity 0.2123587E+01 Ellipticity 0.4628799E-01 Gb(Abramov) 0.4098927E-01 Vb(Abramov) -0.4181652E-01 Hb(Abramov) -0.8272507E-03 Ex_ueg -0.1057104E-01 Ec_ueg -0.1944294E-02 Delta_ex -0.1250033E-01 Delta_ec 0.4593234E-02 Delta_et -0.4603989E-01 Pxc 0.5436955E+01 Qxc -0.2721467E+01 3,-1 77 3 -1 -0.824039 1.835462 3.105712 Rho 0.1517382E+00 |GRAD(Rho)| 0.5154124E-09 GRAD(Rho)x 0.3886142E-09 GRAD(Rho)y 0.2904945E-09 GRAD(Rho)z -0.1739020E-09 Laplacian 0.5870526E+00 (-1/4)Del**2(Rho)) -0.1467631E+00 Diamond 0.1214408E+01 Metallicity 0.5067119E+01 Ellipticity 0.3987676E-01 Gb(Abramov) 0.2217865E+00 Vb(Abramov) -0.2968098E+00 Hb(Abramov) -0.7502333E-01 Ex_ueg -0.5977391E-01 Ec_ueg -0.8554877E-02 Delta_ex -0.6330298E-01 Delta_ec 0.1499531E-01 Delta_et -0.2002706E+00 Pxc 0.6987115E+01 Qxc -0.4221520E+01 3,-1 78 3 -1 -0.167342 2.889058 -3.261389 Rho 0.2404738E+00 |GRAD(Rho)| 0.7625944E-16 GRAD(Rho)x -0.6024098E-17 GRAD(Rho)y 0.7372575E-16 GRAD(Rho)z -0.1853986E-16 Laplacian 0.8898697E+00 (-1/4)Del**2(Rho)) -0.2224674E+00 Diamond 0.3138913E+01 Metallicity 0.7201117E+01 Ellipticity 0.2192599E-01 Gb(Abramov) 0.4153139E+00 Vb(Abramov) -0.6081604E+00 Hb(Abramov) -0.1928465E+00 Ex_ueg -0.1104440E+00 Ec_ueg -0.1447188E-01 Delta_ex -0.1074860E+00 Delta_ec 0.1949688E-01 Delta_et -0.2694215E+00 Pxc 0.7631631E+01 Qxc -0.5512983E+01 3,-1 79 3 -1 0.126881 2.986484 3.475167 Rho 0.2525604E+00 |GRAD(Rho)| 0.4724110E-10 GRAD(Rho)x 0.9170240E-11 GRAD(Rho)y 0.2910473E-10 GRAD(Rho)z 0.3606304E-10 Laplacian 0.9115883E+00 (-1/4)Del**2(Rho)) -0.2278971E+00 Diamond 0.3421069E+01 Metallicity 0.7628221E+01 Ellipticity 0.3350881E-02 Gb(Abramov) 0.4416729E+00 Vb(Abramov) -0.6554488E+00 Hb(Abramov) -0.2137759E+00 Ex_ueg -0.1179068E+00 Ec_ueg -0.1531170E-01 Delta_ex -0.1115843E+00 Delta_ec 0.1976810E-01 Delta_et -0.2739008E+00 Pxc 0.7700439E+01 Qxc -0.5644668E+01 3,-1 80 3 -1 0.167251 -2.958170 3.608612 Rho 0.2500077E+00 |GRAD(Rho)| 0.8038345E-08 GRAD(Rho)x -0.1708598E-08 GRAD(Rho)y -0.5297241E-08 GRAD(Rho)z 0.5799562E-08 Laplacian 0.9121954E+00 (-1/4)Del**2(Rho)) -0.2280488E+00 Diamond 0.3369196E+01 Metallicity 0.7495159E+01 Ellipticity 0.8053984E-02 Gb(Abramov) 0.4369096E+00 Vb(Abramov) -0.6457703E+00 Hb(Abramov) -0.2088608E+00 Ex_ueg -0.1163205E+00 Ec_ueg -0.1513366E-01 Delta_ex -0.1112979E+00 Delta_ec 0.1972965E-01 Delta_et -0.2727871E+00 Pxc 0.7686211E+01 Qxc -0.5641149E+01 3,-1 81 3 +3 2.373666 0.005581 0.005596 Rho 0.3940065E-02 |GRAD(Rho)| 0.3061488E-14 GRAD(Rho)x -0.2710089E-14 GRAD(Rho)y 0.6951960E-15 GRAD(Rho)z 0.1242910E-14 Laplacian 0.1596909E-01 (-1/4)Del**2(Rho)) -0.3992274E-02 Diamond 0.1416414E-03 Metallicity 0.4241360E+00 Ellipticity -0.4643759E+00 Gb(Abramov) 0.2943727E-02 Vb(Abramov) -0.1895180E-02 Hb(Abramov) 0.1048547E-02 Ex_ueg -0.4596101E-03 Ec_ueg -0.1015886E-03 Delta_ex -0.5946554E-03 Delta_ec 0.2095493E-03 Delta_et -0.1180152E-02 Pxc 0.4524230E+01 Qxc -0.2837783E+01 3,+3 82 3 -1 0.643473 1.705535 2.876336 Rho 0.1678964E+00 |GRAD(Rho)| 0.1195908E-14 GRAD(Rho)x -0.9402472E-15 GRAD(Rho)y 0.7386940E-15 GRAD(Rho)z 0.2150108E-16 Laplacian 0.7157219E+00 (-1/4)Del**2(Rho)) -0.1789305E+00 Diamond 0.1650196E+01 Metallicity 0.4919689E+01 Ellipticity 0.2332351E-01 Gb(Abramov) 0.2660007E+00 Vb(Abramov) -0.3530709E+00 Hb(Abramov) -0.8707022E-01 Ex_ueg -0.6840798E-01 Ec_ueg -0.9598815E-02 Delta_ex -0.7894775E-01 Delta_ec 0.1748953E-01 Delta_et -0.2357989E+00 Pxc 0.7126711E+01 Qxc -0.4514000E+01 3,-1 83 3 -1 0.683320 2.765712 -2.022241 Rho 0.6488314E-01 |GRAD(Rho)| 0.5449622E-16 GRAD(Rho)x 0.1532706E-16 GRAD(Rho)y 0.5229497E-16 GRAD(Rho)z -0.3938703E-18 Laplacian 0.2556274E+00 (-1/4)Del**2(Rho)) -0.6390685E-01 Diamond 0.1849321E+00 Metallicity 0.2824178E+01 Ellipticity 0.1708982E-01 Gb(Abramov) 0.7268530E-01 Vb(Abramov) -0.8146374E-01 Hb(Abramov) -0.8778442E-02 Ex_ueg -0.1925577E-01 Ec_ueg -0.3252727E-02 Delta_ex -0.2248998E-01 Delta_ec 0.7615706E-02 Delta_et -0.8583960E-01 Pxc 0.5919884E+01 Qxc -0.2953106E+01 3,-1 84 3 -1 0.571810 2.752491 1.987206 Rho 0.1234721E+00 |GRAD(Rho)| 0.7319707E-16 GRAD(Rho)x 0.6277531E-16 GRAD(Rho)y 0.1862117E-16 GRAD(Rho)z -0.3271580E-16 Laplacian 0.5146689E+00 (-1/4)Del**2(Rho)) -0.1286672E+00 Diamond 0.8349420E+00 Metallicity 0.4099206E+01 Ellipticity 0.2677134E-01 Gb(Abramov) 0.1736837E+00 Vb(Abramov) -0.2187002E+00 Hb(Abramov) -0.4501651E-01 Ex_ueg -0.4540915E-01 Ec_ueg -0.6767660E-02 Delta_ex -0.5284327E-01 Delta_ec 0.1390490E-01 Delta_et -0.1799756E+00 Pxc 0.6709726E+01 Qxc -0.3800336E+01 3,-1 85 3 +1 1.453554 -1.044853 2.221284 Rho 0.2072598E-01 |GRAD(Rho)| 0.2496625E-16 GRAD(Rho)x -0.1681246E-16 GRAD(Rho)y -0.6292245E-17 GRAD(Rho)z -0.1735115E-16 Laplacian 0.7195944E-01 (-1/4)Del**2(Rho)) -0.1798986E-01 Diamond 0.5906259E-02 Metallicity 0.1497559E+01 Ellipticity -0.2180704E+01 Gb(Abramov) 0.1648339E-01 Vb(Abramov) -0.1497691E-01 Hb(Abramov) 0.1506475E-02 Ex_ueg -0.4204734E-02 Ec_ueg -0.8760302E-03 Delta_ex -0.4067760E-02 Delta_ec 0.8810324E-03 Delta_et -0.7543277E-02 Pxc 0.4799759E+01 Qxc -0.4617039E+01 3,+1 86 3 -1 0.351742 -0.549531 0.421945 Rho 0.1674605E+00 |GRAD(Rho)| 0.4553158E-14 GRAD(Rho)x -0.2629841E-14 GRAD(Rho)y 0.2428613E-14 GRAD(Rho)z -0.2813721E-14 Laplacian 0.4200285E+00 (-1/4)Del**2(Rho)) -0.1050071E+00 Diamond 0.9930237E+00 Metallicity 0.8346831E+01 Ellipticity 0.8215593E-02 Gb(Abramov) 0.2160842E+00 Vb(Abramov) -0.3271613E+00 Hb(Abramov) -0.1110771E+00 Ex_ueg -0.6817129E-01 Ec_ueg -0.9570450E-02 Delta_ex -0.4653865E-01 Delta_ec 0.1069477E-01 Delta_et -0.1453013E+00 Pxc 0.7123101E+01 Qxc -0.4351535E+01 3,-1 87 3 +1 1.444751 -0.609115 -0.595661 Rho 0.1050916E-01 |GRAD(Rho)| 0.1084370E-10 GRAD(Rho)x -0.6864889E-11 GRAD(Rho)y -0.2951470E-11 GRAD(Rho)z 0.7857980E-11 Laplacian 0.4248725E-01 (-1/4)Del**2(Rho)) -0.1062181E-01 Diamond 0.1425709E-02 Metallicity 0.8177768E+00 Ellipticity -0.1430911E+01 Gb(Abramov) 0.8528920E-02 Vb(Abramov) -0.6436028E-02 Hb(Abramov) 0.2092892E-02 Ex_ueg -0.1700106E-02 Ec_ueg -0.3911917E-03 Delta_ex -0.2019116E-02 Delta_ec 0.5552796E-03 Delta_et -0.4026830E-02 Pxc 0.4345966E+01 Qxc -0.3636216E+01 3,+1 88 3 -1 0.312388 0.346637 -0.532783 Rho 0.1712987E+00 |GRAD(Rho)| 0.3212612E-15 GRAD(Rho)x -0.2255141E-15 GRAD(Rho)y -0.2185752E-15 GRAD(Rho)z -0.6765422E-16 Laplacian 0.4348930E+00 (-1/4)Del**2(Rho)) -0.1087232E+00 Diamond 0.1056515E+01 Metallicity 0.8371842E+01 Ellipticity 0.1735649E-01 Gb(Abramov) 0.2241845E+00 Vb(Abramov) -0.3396457E+00 Hb(Abramov) -0.1154612E+00 Ex_ueg -0.7026255E-01 Ec_ueg -0.9820605E-02 Delta_ex -0.4845729E-01 Delta_ec 0.1100942E-01 Delta_et -0.1500027E+00 Pxc 0.7154605E+01 Qxc -0.4401439E+01 3,-1 89 3 +1 1.001452 2.095149 -1.355349 Rho 0.2615210E-01 |GRAD(Rho)| 0.2903707E-16 GRAD(Rho)x -0.1246886E-16 GRAD(Rho)y -0.2443261E-16 GRAD(Rho)z 0.9525064E-17 Laplacian 0.1051248E+00 (-1/4)Del**2(Rho)) -0.2628120E-01 Diamond 0.1614656E-01 Metallicity 0.1510378E+01 Ellipticity -0.8190768E+01 Gb(Abramov) 0.2413655E-01 Vb(Abramov) -0.2199191E-01 Hb(Abramov) 0.2144644E-02 Ex_ueg -0.5733155E-02 Ec_ueg -0.1146894E-02 Delta_ex -0.6772659E-02 Delta_ec 0.2060980E-02 Delta_et -0.1833827E-01 Pxc 0.4998856E+01 Qxc -0.3286135E+01 3,+1 90 3 +1 1.067621 1.147142 -2.208957 Rho 0.3163521E-01 |GRAD(Rho)| 0.8367222E-16 GRAD(Rho)x 0.6755014E-16 GRAD(Rho)y 0.4362848E-16 GRAD(Rho)z 0.2312087E-16 Laplacian 0.1304599E+00 (-1/4)Del**2(Rho)) -0.3261497E-01 Diamond 0.2441651E-01 Metallicity 0.1671427E+01 Ellipticity -0.5848997E+01 Gb(Abramov) 0.3082891E-01 Vb(Abramov) -0.2904284E-01 Hb(Abramov) 0.1786066E-02 Ex_ueg -0.7389461E-02 Ec_ueg -0.1428258E-02 Delta_ex -0.8709273E-02 Delta_ec 0.2329536E-02 Delta_et -0.2175118E-01 Pxc 0.5173758E+01 Qxc -0.3738630E+01 3,+1 91 3 -1 0.354197 1.491749 -1.796077 Rho 0.6048007E-01 |GRAD(Rho)| 0.5500438E-14 GRAD(Rho)x 0.3462755E-14 GRAD(Rho)y 0.3081936E-14 GRAD(Rho)z 0.2960711E-14 Laplacian 0.2364932E+00 (-1/4)Del**2(Rho)) -0.5912331E-01 Diamond 0.1546836E+00 Metallicity 0.2715282E+01 Ellipticity 0.1809715E-01 Gb(Abramov) 0.6617162E-01 Vb(Abramov) -0.7321992E-01 Hb(Abramov) -0.7048307E-02 Ex_ueg -0.1753348E-01 Ec_ueg -0.3001875E-02 Delta_ex -0.2040857E-01 Delta_ec 0.7000723E-02 Delta_et -0.7750447E-01 Pxc 0.5840843E+01 Qxc -0.2915209E+01 3,-1 92 3 -1 2.771460 -2.034410 0.757593 Rho 0.7036619E-01 |GRAD(Rho)| 0.3468091E-15 GRAD(Rho)x 0.1526675E-15 GRAD(Rho)y 0.2148042E-15 GRAD(Rho)z 0.2254514E-15 Laplacian 0.2772454E+00 (-1/4)Del**2(Rho)) -0.6931134E-01 Diamond 0.2211681E+00 Metallicity 0.2980956E+01 Ellipticity 0.1091908E-01 Gb(Abramov) 0.8064324E-01 Vb(Abramov) -0.9197514E-01 Hb(Abramov) -0.1133190E-01 Ex_ueg -0.2145542E-01 Ec_ueg -0.3568259E-02 Delta_ex -0.2482983E-01 Delta_ec 0.8118313E-02 Delta_et -0.9327430E-01 Pxc 0.6012855E+01 Qxc -0.3058497E+01 3,-1 93 3 -1 0.636775 -1.645007 1.900459 Rho 0.4106284E-01 |GRAD(Rho)| 0.5572184E-16 GRAD(Rho)x -0.2935922E-17 GRAD(Rho)y -0.4736629E-16 GRAD(Rho)z 0.2920167E-16 Laplacian 0.1590602E+00 (-1/4)Del**2(Rho)) -0.3976505E-01 Diamond 0.5909308E-01 Metallicity 0.2117386E+01 Ellipticity 0.8514294E-01 Gb(Abramov) 0.4054302E-01 Vb(Abramov) -0.4132100E-01 Hb(Abramov) -0.7779760E-03 Ex_ueg -0.1046286E-01 Ec_ueg -0.1927169E-02 Delta_ex -0.1231802E-01 Delta_ec 0.4485827E-02 Delta_et -0.4486262E-01 Pxc 0.5429135E+01 Qxc -0.2745986E+01 3,-1 94 3 -1 0.829728 -2.887956 2.236569 Rho 0.1717524E+00 |GRAD(Rho)| 0.3583029E-14 GRAD(Rho)x -0.1591406E-14 GRAD(Rho)y 0.1772264E-14 GRAD(Rho)z 0.2676678E-14 Laplacian 0.6641679E+00 (-1/4)Del**2(Rho)) -0.1660420E+00 Diamond 0.1585140E+01 Metallicity 0.5506046E+01 Ellipticity 0.6008555E-01 Gb(Abramov) 0.2630671E+00 Vb(Abramov) -0.3600922E+00 Hb(Abramov) -0.9702514E-01 Ex_ueg -0.7051076E-01 Ec_ueg -0.9850228E-02 Delta_ex -0.7377400E-01 Delta_ec 0.1630484E-01 Delta_et -0.2208769E+00 Pxc 0.7158287E+01 Qxc -0.4524669E+01 3,-1 95 3 -1 0.768858 1.669749 -3.008223 Rho 0.9956707E-01 |GRAD(Rho)| 0.2506433E-15 GRAD(Rho)x -0.2129847E-15 GRAD(Rho)y 0.1014203E-15 GRAD(Rho)z 0.8469652E-16 Laplacian 0.3859742E+00 (-1/4)Del**2(Rho)) -0.9649355E-01 Diamond 0.4842730E+00 Metallicity 0.3818690E+01 Ellipticity 0.1727415E-01 Gb(Abramov) 0.1257422E+00 Vb(Abramov) -0.1549908E+00 Hb(Abramov) -0.2924865E-01 Ex_ueg -0.3408312E-01 Ec_ueg -0.5298834E-02 Delta_ex -0.3769210E-01 Delta_ec 0.1098001E-01 Delta_et -0.1365273E+00 Pxc 0.6432193E+01 Qxc -0.3432794E+01 3,-1 96 3 -1 1.579234 1.819833 -0.565971 Rho 0.2760173E-01 |GRAD(Rho)| 0.4566689E-16 GRAD(Rho)x 0.2235849E-16 GRAD(Rho)y 0.2951359E-16 GRAD(Rho)z 0.2673032E-16 Laplacian 0.9988853E-01 (-1/4)Del**2(Rho)) -0.2497213E-01 Diamond 0.1973352E-01 Metallicity 0.1739101E+01 Ellipticity 0.4678835E+00 Gb(Abramov) 0.2388626E-01 Vb(Abramov) -0.2280040E-01 Hb(Abramov) 0.1085867E-02 Ex_ueg -0.6160750E-02 Ec_ueg -0.1220579E-02 Delta_ex -0.6832643E-02 Delta_ec 0.2504023E-02 Delta_et -0.2251285E-01 Pxc 0.5047400E+01 Qxc -0.2728666E+01 3,-1 97 3 -1 1.106648 2.088898 -1.235268 Rho 0.2619273E-01 |GRAD(Rho)| 0.4656028E-15 GRAD(Rho)x -0.6839807E-16 GRAD(Rho)y 0.3796798E-15 GRAD(Rho)z -0.2606739E-15 Laplacian 0.1090581E+00 (-1/4)Del**2(Rho)) -0.2726454E-01 Diamond 0.1863680E-01 Metallicity 0.1459675E+01 Ellipticity 0.9677909E+01 Gb(Abramov) 0.2480925E-01 Vb(Abramov) -0.2235397E-01 Hb(Abramov) 0.2455284E-02 Ex_ueg -0.5745035E-02 Ec_ueg -0.1148952E-02 Delta_ex -0.7217772E-02 Delta_ec 0.2475270E-02 Delta_et -0.2197544E-01 Pxc 0.5000241E+01 Qxc -0.2915954E+01 3,-1 98 3 +1 1.362568 2.047387 -0.927542 Rho 0.2575249E-01 |GRAD(Rho)| 0.4362279E-16 GRAD(Rho)x -0.1000059E-16 GRAD(Rho)y -0.4167102E-16 GRAD(Rho)z 0.8152444E-17 Laplacian 0.9485653E-01 (-1/4)Del**2(Rho)) -0.2371413E-01 Diamond 0.1246450E-01 Metallicity 0.1631466E+01 Ellipticity -0.4327302E+01 Gb(Abramov) 0.2225755E-01 Vb(Abramov) -0.2080098E-01 Hb(Abramov) 0.1456576E-02 Ex_ueg -0.5616651E-02 Ec_ueg -0.1126675E-02 Delta_ex -0.5898635E-02 Delta_ec 0.1524145E-02 Delta_et -0.1356964E-01 Pxc 0.4985155E+01 Qxc -0.3870126E+01 3,+1 99 3 -1 1.828508 -0.521937 1.638838 Rho 0.3535235E-01 |GRAD(Rho)| 0.1128163E-15 GRAD(Rho)x -0.8019496E-16 GRAD(Rho)y -0.5381158E-16 GRAD(Rho)z -0.5831472E-16 Laplacian 0.1344886E+00 (-1/4)Del**2(Rho)) -0.3362215E-01 Diamond 0.3996577E-01 Metallicity 0.1951154E+01 Ellipticity 0.1915586E+00 Gb(Abramov) 0.3334843E-01 Vb(Abramov) -0.3307471E-01 Hb(Abramov) 0.2737165E-03 Ex_ueg -0.8569250E-02 Ec_ueg -0.1622851E-02 Delta_ex -0.9978967E-02 Delta_ec 0.3700375E-02 Delta_et -0.3555014E-01 Pxc 0.5280369E+01 Qxc -0.2696745E+01 3,-1 100 3 +1 0.975783 -2.125705 1.466747 Rho 0.3104020E-01 |GRAD(Rho)| 0.5634674E-16 GRAD(Rho)x 0.4330274E-18 GRAD(Rho)y 0.1017675E-16 GRAD(Rho)z 0.5541842E-16 Laplacian 0.1243978E+00 (-1/4)Del**2(Rho)) -0.3109945E-01 Diamond 0.2197484E-01 Metallicity 0.1698275E+01 Ellipticity -0.5546587E+01 Gb(Abramov) 0.2953554E-01 Vb(Abramov) -0.2797162E-01 Hb(Abramov) 0.1563915E-02 Ex_ueg -0.7204730E-02 Ec_ueg -0.1397386E-02 Delta_ex -0.8204829E-02 Delta_ec 0.2118684E-02 Delta_et -0.1969852E-01 Pxc 0.5155864E+01 Qxc -0.3872606E+01 3,+1 101 3 -1 1.097348 -1.806033 3.295075 Rho 0.1970221E+00 |GRAD(Rho)| 0.1190158E-12 GRAD(Rho)x -0.8307802E-13 GRAD(Rho)y -0.7196029E-13 GRAD(Rho)z -0.4565643E-13 Laplacian 0.7385928E+00 (-1/4)Del**2(Rho)) -0.1846482E+00 Diamond 0.2094695E+01 Metallicity 0.6223954E+01 Ellipticity 0.5348939E-01 Gb(Abramov) 0.3146391E+00 Vb(Abramov) -0.4446300E+00 Hb(Abramov) -0.1299909E+00 Ex_ueg -0.8467171E-01 Ec_ueg -0.1151898E-01 Delta_ex -0.8504254E-01 Delta_ec 0.1768137E-01 Delta_et -0.2435344E+00 Pxc 0.7350624E+01 Qxc -0.4809725E+01 3,-1 102 3 -1 2.724859 1.987043 0.564339 Rho 0.1174535E+00 |GRAD(Rho)| 0.2138324E-15 GRAD(Rho)x 0.1176292E-15 GRAD(Rho)y 0.2523481E-16 GRAD(Rho)z 0.1767792E-15 Laplacian 0.4974909E+00 (-1/4)Del**2(Rho)) -0.1243727E+00 Diamond 0.7569348E+00 Metallicity 0.3901857E+01 Ellipticity 0.3612338E-01 Gb(Abramov) 0.1637959E+00 Vb(Abramov) -0.2032191E+00 Hb(Abramov) -0.3942318E-01 Ex_ueg -0.4248214E-01 Ec_ueg -0.6393948E-02 Delta_ex -0.5043387E-01 Delta_ec 0.1352191E-01 Delta_et -0.1733613E+00 Pxc 0.6644116E+01 Qxc -0.3729789E+01 3,-1 103 3 -1 1.511386 -1.785452 0.465905 Rho 0.6354756E-01 |GRAD(Rho)| 0.1049947E-15 GRAD(Rho)x 0.7588822E-16 GRAD(Rho)y 0.2810709E-16 GRAD(Rho)z -0.6689443E-16 Laplacian 0.2485536E+00 (-1/4)Del**2(Rho)) -0.6213839E-01 Diamond 0.1727443E+00 Metallicity 0.2805593E+01 Ellipticity 0.1698874E-01 Gb(Abramov) 0.7048143E-01 Vb(Abramov) -0.7882447E-01 Hb(Abramov) -0.8343040E-02 Ex_ueg -0.1872910E-01 Ec_ueg -0.3176390E-02 Delta_ex -0.2168700E-01 Delta_ec 0.7291188E-02 Delta_et -0.8169606E-01 Pxc 0.5896347E+01 Qxc -0.2974412E+01 3,-1 104 3 -1 1.715491 2.927119 0.684510 Rho 0.1655764E+00 |GRAD(Rho)| 0.1999730E-15 GRAD(Rho)x -0.8356488E-16 GRAD(Rho)y -0.1474244E-15 GRAD(Rho)z -0.1061705E-15 Laplacian 0.6940111E+00 (-1/4)Del**2(Rho)) -0.1735028E+00 Diamond 0.1580791E+01 Metallicity 0.4957287E+01 Ellipticity 0.2251709E-01 Gb(Abramov) 0.2590190E+00 Vb(Abramov) -0.3445353E+00 Hb(Abramov) -0.8551625E-01 Ex_ueg -0.6715055E-01 Ec_ueg -0.9447972E-02 Delta_ex -0.7635005E-01 Delta_ec 0.1713169E-01 Delta_et -0.2308967E+00 Pxc 0.7107404E+01 Qxc -0.4456656E+01 3,-1 105 3 -1 2.976615 2.181324 -0.737298 Rho 0.9820158E-01 |GRAD(Rho)| 0.5769046E-15 GRAD(Rho)x -0.1761829E-18 GRAD(Rho)y 0.4251902E-15 GRAD(Rho)z 0.3899130E-15 Laplacian 0.3924440E+00 (-1/4)Del**2(Rho)) -0.9811101E-01 Diamond 0.4802796E+00 Metallicity 0.3670283E+01 Ellipticity 0.2208191E-01 Gb(Abramov) 0.1254232E+00 Vb(Abramov) -0.1527354E+00 Hb(Abramov) -0.2731219E-01 Ex_ueg -0.3346132E-01 Ec_ueg -0.5216240E-02 Delta_ex -0.3813200E-01 Delta_ec 0.1107337E-01 Delta_et -0.1371586E+00 Pxc 0.6414835E+01 Qxc -0.3443576E+01 3,-1 106 3 -1 1.784985 0.582130 -1.658426 Rho 0.4410486E-01 |GRAD(Rho)| 0.7840405E-16 GRAD(Rho)x 0.7727566E-16 GRAD(Rho)y 0.4440994E-17 GRAD(Rho)z -0.1248781E-16 Laplacian 0.1750470E+00 (-1/4)Del**2(Rho)) -0.4376175E-01 Diamond 0.7252306E-01 Metallicity 0.2167384E+01 Ellipticity 0.7987183E-01 Gb(Abramov) 0.4498259E-01 Vb(Abramov) -0.4620343E-01 Hb(Abramov) -0.1220837E-02 Ex_ueg -0.1150890E-01 Ec_ueg -0.2091701E-02 Delta_ex -0.1384541E-01 Delta_ec 0.5011336E-02 Delta_et -0.5108595E-01 Pxc 0.5502170E+01 Qxc -0.2762819E+01 3,-1 107 3 -1 1.962104 0.558209 2.707084 Rho 0.1179211E+00 |GRAD(Rho)| 0.3300572E-15 GRAD(Rho)x 0.2839119E-15 GRAD(Rho)y -0.1494437E-15 GRAD(Rho)z -0.7744930E-16 Laplacian 0.4921130E+00 (-1/4)Del**2(Rho)) -0.1230283E+00 Diamond 0.7545082E+00 Metallicity 0.3970707E+01 Ellipticity 0.3788256E-01 Gb(Abramov) 0.1634370E+00 Vb(Abramov) -0.2038458E+00 Hb(Abramov) -0.4040876E-01 Ex_ueg -0.4270781E-01 Ec_ueg -0.6422895E-02 Delta_ex -0.4996552E-01 Delta_ec 0.1341662E-01 Delta_et -0.1722179E+00 Pxc 0.6649308E+01 Qxc -0.3724152E+01 3,-1 108 3 -1 2.132821 0.805006 -2.888515 Rho 0.1815656E+00 |GRAD(Rho)| 0.2576160E-15 GRAD(Rho)x 0.2107418E-15 GRAD(Rho)y -0.1473973E-15 GRAD(Rho)z 0.1509752E-16 Laplacian 0.6932312E+00 (-1/4)Del**2(Rho)) -0.1733078E+00 Diamond 0.1770867E+01 Metallicity 0.5787054E+01 Ellipticity 0.6378098E-01 Gb(Abramov) 0.2826955E+00 Vb(Abramov) -0.3920831E+00 Hb(Abramov) -0.1093877E+00 Ex_ueg -0.7593285E-01 Ec_ueg -0.1049394E-01 Delta_ex -0.7810063E-01 Delta_ec 0.1680314E-01 Delta_et -0.2291055E+00 Pxc 0.7235876E+01 Qxc -0.4647979E+01 3,-1 109 3 -1 1.662905 -3.020209 0.870572 Rho 0.1124962E+00 |GRAD(Rho)| 0.3540422E-12 GRAD(Rho)x 0.1582162E-12 GRAD(Rho)y 0.1121700E-12 GRAD(Rho)z -0.2961948E-12 Laplacian 0.4324259E+00 (-1/4)Del**2(Rho)) -0.1081065E+00 Diamond 0.6312461E+00 Metallicity 0.4177639E+01 Ellipticity 0.2375426E-01 Gb(Abramov) 0.1473426E+00 Vb(Abramov) -0.1865788E+00 Hb(Abramov) -0.3923615E-01 Ex_ueg -0.4010840E-01 Ec_ueg -0.6088052E-02 Delta_ex -0.4348901E-01 Delta_ec 0.1204194E-01 Delta_et -0.1534312E+00 Pxc 0.6588051E+01 Qxc -0.3611463E+01 3,-1 110 3 +1 2.104534 1.470751 -0.999780 Rho 0.1912950E-01 |GRAD(Rho)| 0.5354600E-17 GRAD(Rho)x 0.3758233E-17 GRAD(Rho)y 0.4292612E-19 GRAD(Rho)z -0.3813868E-17 Laplacian 0.6573332E-01 (-1/4)Del**2(Rho)) -0.1643333E-01 Diamond 0.4607560E-02 Metallicity 0.1434389E+01 Ellipticity -0.1965702E+01 Gb(Abramov) 0.1488418E-01 Vb(Abramov) -0.1333504E-01 Hb(Abramov) 0.1549146E-02 Ex_ueg -0.3778533E-02 Ec_ueg -0.7979472E-03 Delta_ex -0.3600308E-02 Delta_ec 0.7434241E-03 Delta_et -0.6285987E-02 Pxc 0.4735317E+01 Qxc -0.4842873E+01 3,+1 111 3 +1 2.750672 -0.083132 0.030711 Rho 0.4071529E-02 |GRAD(Rho)| 0.3076082E-17 GRAD(Rho)x -0.9199412E-18 GRAD(Rho)y 0.1522985E-17 GRAD(Rho)z 0.2509284E-17 Laplacian 0.1645854E-01 (-1/4)Del**2(Rho)) -0.4114634E-02 Diamond 0.2526876E-03 Metallicity 0.4346615E+00 Ellipticity -0.1633424E+01 Gb(Abramov) 0.3041168E-02 Vb(Abramov) -0.1967702E-02 Hb(Abramov) 0.1073466E-02 Ex_ueg -0.4801701E-03 Ec_ueg -0.1071784E-03 Delta_ex -0.7399007E-03 Delta_ec 0.4341841E-03 Delta_et -0.2251216E-02 Pxc 0.4480103E+01 Qxc -0.1704117E+01 3,+1 112 3 -1 2.416335 -1.895747 -0.688127 Rho 0.1206042E+00 |GRAD(Rho)| 0.2040767E-15 GRAD(Rho)x 0.5532142E-16 GRAD(Rho)y 0.1555152E-15 GRAD(Rho)z -0.1200076E-15 Laplacian 0.5103101E+00 (-1/4)Del**2(Rho)) -0.1275775E+00 Diamond 0.8108189E+00 Metallicity 0.3975423E+01 Ellipticity 0.3036563E-01 Gb(Abramov) 0.1695808E+00 Vb(Abramov) -0.2115840E+00 Hb(Abramov) -0.4200326E-01 Ex_ueg -0.4400836E-01 Ec_ueg -0.6589274E-02 Delta_ex -0.5218338E-01 Delta_ec 0.1400582E-01 Delta_et -0.1807721E+00 Pxc 0.6678787E+01 Qxc -0.3725834E+01 3,-1 113 3 -1 1.862390 3.067956 -0.815029 Rho 0.1999511E+00 |GRAD(Rho)| 0.1961988E-15 GRAD(Rho)x 0.9527427E-16 GRAD(Rho)y -0.1414613E-15 GRAD(Rho)z 0.9698188E-16 Laplacian 0.7631773E+00 (-1/4)Del**2(Rho)) -0.1907943E+00 Diamond 0.2168918E+01 Metallicity 0.6173441E+01 Ellipticity 0.5477275E-01 Gb(Abramov) 0.3235058E+00 Vb(Abramov) -0.4562172E+00 Hb(Abramov) -0.1327115E+00 Ex_ueg -0.8635418E-01 Ec_ueg -0.1171474E-01 Delta_ex -0.8797115E-01 Delta_ec 0.1778222E-01 Delta_et -0.2438356E+00 Pxc 0.7371412E+01 Qxc -0.4947142E+01 3,-1 114 3 -1 3.004887 3.481402 0.104001 Rho 0.2509763E+00 |GRAD(Rho)| 0.8058119E-15 GRAD(Rho)x 0.6856495E-15 GRAD(Rho)y 0.4052748E-15 GRAD(Rho)z 0.1223522E-15 Laplacian 0.8895470E+00 (-1/4)Del**2(Rho)) -0.2223868E+00 Diamond 0.3327989E+01 Metallicity 0.7735685E+01 Ellipticity 0.1171155E-01 Gb(Abramov) 0.4349768E+00 Vb(Abramov) -0.6475669E+00 Hb(Abramov) -0.2125901E+00 Ex_ueg -0.1169218E+00 Ec_ueg -0.1520117E-01 Delta_ex -0.1087809E+00 Delta_ec 0.1945991E-01 Delta_et -0.2702207E+00 Pxc 0.7691629E+01 Qxc -0.5590000E+01 3,-1 115 3 -1 2.722015 -0.504256 -1.784649 Rho 0.1615080E+00 |GRAD(Rho)| 0.3235077E-11 GRAD(Rho)x -0.2886633E-12 GRAD(Rho)y -0.2661153E-11 GRAD(Rho)z 0.1816772E-11 Laplacian 0.6939562E+00 (-1/4)Del**2(Rho)) -0.1734890E+00 Diamond 0.1514352E+01 Metallicity 0.4756323E+01 Ellipticity 0.3150721E-01 Gb(Abramov) 0.2531877E+00 Vb(Abramov) -0.3328863E+00 Hb(Abramov) -0.7969863E-01 Ex_ueg -0.6495968E-01 Ec_ueg -0.9184218E-02 Delta_ex -0.7569445E-01 Delta_ec 0.1692063E-01 Delta_et -0.2265354E+00 Pxc 0.7072968E+01 Qxc -0.4473501E+01 3,-1 116 3 -1 3.079081 -0.820225 1.881281 Rho 0.1948084E+00 |GRAD(Rho)| 0.1257892E-14 GRAD(Rho)x -0.2530257E-15 GRAD(Rho)y 0.1040509E-14 GRAD(Rho)z 0.6600081E-15 Laplacian 0.7368588E+00 (-1/4)Del**2(Rho)) -0.1842147E+00 Diamond 0.2037630E+01 Metallicity 0.6122210E+01 Ellipticity 0.5321609E-01 Gb(Abramov) 0.3107766E+00 Vb(Abramov) -0.4373386E+00 Hb(Abramov) -0.1265619E+00 Ex_ueg -0.8340559E-01 Ec_ueg -0.1137134E-01 Delta_ex -0.8443140E-01 Delta_ec 0.1739282E-01 Delta_et -0.2383247E+00 Pxc 0.7334717E+01 Qxc -0.4854384E+01 3,-1 117 3 -1 2.905695 0.672601 1.702510 Rho 0.1716186E+00 |GRAD(Rho)| 0.1677927E-12 GRAD(Rho)x -0.5703764E-14 GRAD(Rho)y -0.1247047E-12 GRAD(Rho)z 0.1121186E-12 Laplacian 0.7185674E+00 (-1/4)Del**2(Rho)) -0.1796418E+00 Diamond 0.1710639E+01 Metallicity 0.5082603E+01 Ellipticity 0.2408442E-01 Gb(Abramov) 0.2719359E+00 Vb(Abramov) -0.3642300E+00 Hb(Abramov) -0.9229408E-01 Ex_ueg -0.7043753E-01 Ec_ueg -0.9841491E-02 Delta_ex -0.7977827E-01 Delta_ec 0.1760330E-01 Delta_et -0.2383323E+00 Pxc 0.7157202E+01 Qxc -0.4532007E+01 3,-1 118 3 -1 -3.264557 -0.128170 3.053184 Rho 0.2512962E+00 |GRAD(Rho)| 0.2792172E-14 GRAD(Rho)x -0.2457995E-14 GRAD(Rho)y 0.9593292E-15 GRAD(Rho)z 0.9133319E-15 Laplacian 0.9355251E+00 (-1/4)Del**2(Rho)) -0.2338813E+00 Diamond 0.3457811E+01 Metallicity 0.7371135E+01 Ellipticity 0.1166791E-02 Gb(Abramov) 0.4432492E+00 Vb(Abramov) -0.6526172E+00 Hb(Abramov) -0.2093680E+00 Ex_ueg -0.1171205E+00 Ec_ueg -0.1522348E-01 Delta_ex -0.1142036E+00 Delta_ec 0.2003269E-01 Delta_et -0.2761998E+00 Pxc 0.7693413E+01 Qxc -0.5700861E+01 3,-1 119 3 -1 -2.600358 -1.152541 0.393690 Rho 0.2827617E+00 |GRAD(Rho)| 0.4725134E-11 GRAD(Rho)x 0.3892417E-11 GRAD(Rho)y 0.8334688E-12 GRAD(Rho)z -0.2545842E-11 Laplacian -0.1327217E+01 (-1/4)Del**2(Rho)) 0.3318043E+00 Diamond 0.4345292E+01 Metallicity -0.6324685E+01 Ellipticity 0.2634517E-02 Gb(Abramov) 0.1285567E+00 Vb(Abramov) -0.5889178E+00 Hb(Abramov) -0.4603610E+00 Ex_ueg -0.1370711E+00 Ec_ueg -0.1744517E-01 Delta_ex 0.1243854E+00 Delta_ec 0.4899655E-01 Delta_et -0.1096330E+01 Pxc 0.7857251E+01 Qxc 0.2538655E+01 3,-1 120 3 -1 -1.849573 -0.640652 2.610243 Rho 0.1036053E+00 |GRAD(Rho)| 0.2506842E-13 GRAD(Rho)x -0.2150978E-13 GRAD(Rho)y 0.1775293E-14 GRAD(Rho)z 0.1275160E-13 Laplacian 0.4350402E+00 (-1/4)Del**2(Rho)) -0.1087601E+00 Diamond 0.5722731E+00 Metallicity 0.3620096E+01 Ellipticity 0.4275774E-01 Gb(Abramov) 0.1381270E+00 Vb(Abramov) -0.1674939E+00 Hb(Abramov) -0.2936695E-01 Ex_ueg -0.3593857E-01 Ec_ueg -0.5543958E-02 Delta_ex -0.4287164E-01 Delta_ec 0.1225735E-01 Delta_et -0.1536106E+00 Pxc 0.6482474E+01 Qxc -0.3497628E+01 3,-1 121 3 -1 -2.081708 -1.125414 -0.099599 Rho 0.6447894E-01 |GRAD(Rho)| 0.7454988E-13 GRAD(Rho)x 0.1470379E-13 GRAD(Rho)y -0.6196436E-13 GRAD(Rho)z -0.3875437E-13 Laplacian 0.1330390E+00 (-1/4)Del**2(Rho)) -0.3325975E-01 Diamond 0.1711022E+00 Metallicity 0.5370285E+01 Ellipticity 0.3309873E-02 Gb(Abramov) 0.5194223E-01 Vb(Abramov) -0.7062470E-01 Hb(Abramov) -0.1868248E-01 Ex_ueg -0.1909599E-01 Ec_ueg -0.3229603E-02 Delta_ex -0.1400945E-01 Delta_ec 0.8112085E-02 Delta_et -0.9350545E-01 Pxc 0.5912800E+01 Qxc -0.1726985E+01 3,-1 122 3 -1 1.486879 -3.005869 -0.578994 Rho 0.2417360E+00 |GRAD(Rho)| 0.2606075E-15 GRAD(Rho)x -0.2016616E-16 GRAD(Rho)y -0.3041187E-16 GRAD(Rho)z 0.2580401E-15 Laplacian 0.9241828E+00 (-1/4)Del**2(Rho)) -0.2310457E+00 Diamond 0.3257204E+01 Metallicity 0.6994515E+01 Ellipticity 0.1951488E-01 Gb(Abramov) 0.4233726E+00 Vb(Abramov) -0.6156994E+00 Hb(Abramov) -0.1923269E+00 Ex_ueg -0.1112176E+00 Ec_ueg -0.1455920E-01 Delta_ex -0.1116605E+00 Delta_ec 0.1999725E-01 Delta_et -0.2753913E+00 Pxc 0.7638991E+01 Qxc -0.5583791E+01 3,-1 123 3 -1 2.207502 -0.730168 3.018993 Rho 0.9604553E-01 |GRAD(Rho)| 0.2635029E-13 GRAD(Rho)x 0.1458157E-13 GRAD(Rho)y 0.1633953E-13 GRAD(Rho)z -0.1465384E-13 Laplacian 0.3851005E+00 (-1/4)Del**2(Rho)) -0.9627512E-01 Diamond 0.4583594E+00 Metallicity 0.3604411E+01 Ellipticity 0.2131881E-01 Gb(Abramov) 0.1220193E+00 Vb(Abramov) -0.1477634E+00 Hb(Abramov) -0.2574415E-01 Ex_ueg -0.3248538E-01 Ec_ueg -0.5086133E-02 Delta_ex -0.3721814E-01 Delta_ec 0.1090363E-01 Delta_et -0.1344307E+00 Pxc 0.6387048E+01 Qxc -0.3413370E+01 3,-1 124 3 -1 2.860276 -3.276751 -0.086608 Rho 0.2424148E+00 |GRAD(Rho)| 0.4598516E-14 GRAD(Rho)x -0.3559436E-15 GRAD(Rho)y -0.3588438E-14 GRAD(Rho)z 0.2853552E-14 Laplacian 0.9025495E+00 (-1/4)Del**2(Rho)) -0.2256374E+00 Diamond 0.3208126E+01 Metallicity 0.7195718E+01 Ellipticity 0.2658308E-01 Gb(Abramov) 0.4210287E+00 Vb(Abramov) -0.6164201E+00 Hb(Abramov) -0.1953914E+00 Ex_ueg -0.1116342E+00 Ec_ueg -0.1460620E-01 Delta_ex -0.1092131E+00 Delta_ec 0.1966660E-01 Delta_et -0.2715565E+00 Pxc 0.7642931E+01 Qxc -0.5553229E+01 3,-1 125 3 -1 3.192755 1.046049 -1.812654 Rho 0.1951876E+00 |GRAD(Rho)| 0.5736668E-14 GRAD(Rho)x 0.4034587E-14 GRAD(Rho)y -0.9794682E-15 GRAD(Rho)z 0.3958802E-14 Laplacian 0.7351000E+00 (-1/4)Del**2(Rho)) -0.1837750E+00 Diamond 0.2058828E+01 Metallicity 0.6156782E+01 Ellipticity 0.5489370E-01 Gb(Abramov) 0.3110937E+00 Vb(Abramov) -0.4384125E+00 Hb(Abramov) -0.1273187E+00 Ex_ueg -0.8362215E-01 Ec_ueg -0.1139662E-01 Delta_ex -0.8442096E-01 Delta_ec 0.1760888E-01 Delta_et -0.2422187E+00 Pxc 0.7337454E+01 Qxc -0.4794227E+01 3,-1 126 3 -1 3.473940 0.104707 -2.964514 Rho 0.2499543E+00 |GRAD(Rho)| 0.9689974E-12 GRAD(Rho)x -0.6876946E-12 GRAD(Rho)y 0.2383809E-12 GRAD(Rho)z 0.6396926E-12 Laplacian 0.9151125E+00 (-1/4)Del**2(Rho)) -0.2287781E+00 Diamond 0.3376241E+01 Metallicity 0.7468610E+01 Ellipticity 0.6419273E-02 Gb(Abramov) 0.4372945E+00 Vb(Abramov) -0.6458109E+00 Hb(Abramov) -0.2085164E+00 Ex_ueg -0.1162874E+00 Ec_ueg -0.1512994E-01 Delta_ex -0.1116332E+00 Delta_ec 0.1976827E-01 Delta_et -0.2731991E+00 Pxc 0.7685912E+01 Qxc -0.5647088E+01 3,-1 127 3 -1 3.468475 0.140714 3.001921 Rho 0.2496769E+00 |GRAD(Rho)| 0.5939623E-15 GRAD(Rho)x -0.5913239E-15 GRAD(Rho)y -0.2846031E-16 GRAD(Rho)z 0.4813858E-16 Laplacian 0.8953492E+00 (-1/4)Del**2(Rho)) -0.2238373E+00 Diamond 0.3318813E+01 Metallicity 0.7619350E+01 Ellipticity 0.1029887E-01 Gb(Abramov) 0.4334740E+00 Vb(Abramov) -0.6431107E+00 Hb(Abramov) -0.2096367E+00 Ex_ueg -0.1161153E+00 Ec_ueg -0.1511061E-01 Delta_ex -0.1092909E+00 Delta_ec 0.1952731E-01 Delta_et -0.2707052E+00 Pxc 0.7684356E+01 Qxc -0.5596821E+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 93 69 101 94 80 124 91 75 62 78 95 83 76 79 82 84 77 64 103 112 122 92 109 114 96 102 104 105 113 45 43 54 47 55 57 49 120 46 58 118 99 127 117 107 116 123 106 115 126 125 108 86 66 71 121 88 97 73 119 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 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 13 14 14 14 15 15 16 17 13 24 33 39 41 5 15 23 25 26 34 40 16 21 22 27 35 38 13 18 28 29 39 8 15 20 27 31 40 9 16 25 32 38 16 17 24 32 35 37 13 19 20 22 29 33 15 18 30 31 34 36 28 36 42 36 40 36 42 2.462444 1.855052 1.816419 1.869808 1.727846 1.740034 2.297740 1.741865 1.925477 1.743201 2.084637 2.263101 2.455199 1.724696 1.865922 1.988044 1.920366 1.986971 2.279241 1.991750 1.740490 2.232804 2.036392 1.727295 2.647396 2.007362 1.871177 2.085709 1.813397 1.762489 2.422612 1.953811 1.985719 1.896756 2.333966 1.885846 2.054636 1.912312 1.983545 1.725797 2.525965 1.729156 1.857376 2.008191 1.824681 2.094755 2.424447 1.877347 1.727871 1.819242 1.849395 1.744358 3.148776 1.663585 1.573472 1.734267 2.567290 1.738410 1.032600 2.464058 1.855225 1.816765 1.870356 1.727858 1.740052 2.298954 1.741888 1.925661 1.743224 2.085535 2.263643 2.456597 1.724700 1.866379 1.988343 1.921040 1.987822 2.280421 1.991998 1.740498 2.233361 2.037225 1.727306 2.649569 2.007642 1.871646 2.086577 1.813884 1.762498 2.424569 1.953987 1.986211 1.897011 2.335294 1.887226 2.054813 1.912893 1.984246 1.725807 2.527290 1.729164 1.857768 2.008472 1.825181 2.095682 2.426288 1.877528 1.727882 1.819619 1.849914 1.744409 3.246913 1.663642 1.578549 1.734353 2.570182 1.738436 1.032693 29 24 25 25 24 22 28 24 24 26 25 30 31 22 27 26 27 25 27 24 21 27 25 22 29 27 27 26 23 24 27 25 23 26 27 24 24 24 25 21 29 21 22 25 22 25 27 25 21 25 22 22 35 23 23 23 29 23 18 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 W O W W W W Ta O O W W W 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 H 2.5335 -0.7678 2.3919 2.5222 2.3965 2.4668 2.3501 -0.7481 -0.8578 2.4967 2.4834 2.5327 -1.1032 -0.8442 -1.0967 -1.1179 -0.7434 -1.0024 -0.7537 -0.9600 -0.7374 -0.9506 -0.7550 -0.9877 -1.0263 -0.7848 -0.9569 -0.7373 -0.9286 -0.7491 -0.9255 -0.9759 -0.9251 -0.9609 -0.9572 2.2433 -0.7324 -0.9750 -0.9695 -0.9161 -0.7517 0.2811 2.0702 1.9674 2.1310 2.0876 2.1277 2.0992 2.0816 1.9735 1.9564 2.1047 2.0956 2.0715 1.9297 1.9635 1.9333 1.9264 1.8853 1.9277 1.9718 1.9348 1.9738 1.9355 1.9659 1.9295 1.9254 1.9657 1.9340 1.9679 1.9522 1.9737 1.9527 1.9434 1.9545 1.9477 1.9458 0.8764 1.9728 1.9455 1.9462 1.9531 1.9739 0.5406 6.0843 4.7647 6.0982 6.0807 6.0992 6.0905 6.0395 4.7366 4.8699 6.0896 6.0835 6.0834 5.1382 4.8432 5.1282 5.1569 4.8253 5.0462 4.7444 4.9934 4.7253 4.9838 4.7531 5.0294 5.0754 4.7841 4.9912 4.7328 4.9448 4.7372 4.9346 5.0006 4.9324 4.9788 4.9793 1.3196 4.7216 4.9960 4.9891 4.9309 4.7398 0.1783 3.2846 0.0357 3.3512 3.2806 3.3488 3.3153 2.4972 0.0379 0.0314 3.2805 3.3089 3.2851 0.0353 0.0374 0.0353 0.0346 0.0328 0.0285 0.0375 0.0317 0.0382 0.0312 0.0360 0.0288 0.0255 0.0350 0.0317 0.0366 0.0316 0.0381 0.0381 0.0319 0.0382 0.0343 0.0320 10.5607 0.0380 0.0335 0.0342 0.0322 0.0381 0.0000 14.0273 0.0000 14.0277 14.0289 14.0277 14.0282 14.0317 0.0000 0.0000 14.0285 14.0285 14.0274 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 W O W W W W Ta O O W W W 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 H 2.465795 -0.805947 2.470653 2.519905 2.477384 2.492687 2.345817 -0.773959 -0.913417 2.522044 2.497295 2.472545 -1.100796 -0.859396 -1.096253 -1.114668 -0.601837 -0.968494 -0.781033 -0.944832 -0.763016 -0.941896 -0.812552 -0.963959 -1.002100 -0.824316 -0.944155 -0.796823 -0.925220 -0.775137 -0.890726 -0.943053 -0.889428 -0.919594 -0.926556 2.288810 -0.760247 -0.939281 -0.924893 -0.917481 -0.777055 0.045184 1.943088 -0.689969 1.937019 1.952119 1.942085 1.943080 1.873456 -0.651393 -0.812670 1.959011 1.941290 1.949962 -0.786422 -0.733990 -0.788800 -0.797546 -0.693832 -0.720874 -0.660761 -0.710735 -0.645270 -0.705201 -0.711718 -0.724469 -0.744977 -0.713707 -0.715356 -0.692209 -0.770748 -0.649220 -0.730200 -0.765946 -0.730671 -0.747893 -0.747842 1.692000 -0.627586 -0.784483 -0.748006 -0.760974 -0.649305 0.279669 2.048575 -0.671617 2.016364 2.048664 2.019305 2.026510 2.015806 -0.622880 -0.819463 2.067702 2.025080 2.066916 -0.829215 -0.740866 -0.851825 -0.845892 -0.759572 -0.820733 -0.633912 -0.788438 -0.611530 -0.780452 -0.712981 -0.826099 -0.847882 -0.697330 -0.792169 -0.699183 -0.813345 -0.643408 -0.749133 -0.820038 -0.749214 -0.790532 -0.812878 1.694920 -0.614877 -0.821950 -0.795355 -0.804516 -0.640536 0.377977 -6.49321780 -10.66998383 -4.57678083 13.30253191 6.22544521 31.02088986 8.15565757 -11.38731376 18.26041777 5.16186856 -310.0183 324.6018 -53.2751 -307.7458 -11.4954 -357.9328 Jun19-2024 11:43:04 Nodes: 1 Procs: 1 Jun19-2024 11:43:05 Nodes: 1 Procs: 1 0 Jun19-2024 11:43:07 Nodes: 1 Procs: 1 Jun19-2024 11:43:08 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:43:11 Nodes: 1 Procs: 1 Jun19-2024 11:43:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:43:17 Nodes: 1 Procs: 1 Jun19-2024 11:43:18 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 11:43:20 Nodes: 1 Procs: 1 Jun19-2024 11:43:22 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 11:43:27 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -12.52728641 -12.92435364 -12.80520324 -13.06947878 -13.09634355 -13.11026315 -13.11709518 -13.12090896 -13.13019277 -13.13162215 -13.13465213 -13.13523137 -13.13613880 -13.13666163 -13.13705668 -13.13746319 -13.13823296 -13.13904823 -13.14077252 -13.14060067 -13.14105821 -13.14181747 -13.14306341 -13.14317021 -13.14445918 -13.14665731 -13.14964532 -13.15072143 -13.15123682 -13.15227014 -13.15275954 -13.15298389 -13.15325927 -13.15334326 -13.15342025 -13.15349907 -13.15353445 -13.15357412 -13.15363625 -13.15367399 -13.15369177 -13.15370724 -13.15372084 -13.15373286 -13.15374364 -13.15374951 -13.15375262 -13.15375484 -13.15376169 -13.15376928 -13.15377839 -13.15378229 -13.15378609 -13.15378707 GEOMETRY CONVERGED