ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:09 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.50 0.05 2.63 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:17 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.57 0.08 1.99 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:22 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:29 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.98 0.06 1.35 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:22 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:41 Arsenic (TZP, 3p frozen) c2-36 c2-36 c2-36 c2-36 c2-36 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.08 3.13 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:22 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:06 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2833.077600000006 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281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 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 -7.569 -7.557 -7.335 -7.333 -7.331 -7.316 -7.309 -7.307 -7.011 -7.007 -4.627 -4.274 -4.085 -3.918 -3.917 -3.534 -3.530 -3.392 -3.251 -3.225 A A A A A A A A A A A A A A A A A A A A 0.00000000069159 0.00055599084885 0.00035203908427 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 74 74 74 74 74 74 74 74 74 74 74 42 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 8 8 8 8 8 8 8 8 8 33 0.108399 -2.550066 2.556547 -0.108414 -2.552552 -2.550898 -0.107990 2.550756 2.557784 2.553416 -2.557379 0.113481 2.544595 2.557110 -0.113570 -2.544236 2.558956 0.103992 -2.551147 -2.554720 -0.103082 -2.558358 -0.112413 -2.551627 -2.556365 0.111550 2.551037 2.554860 -0.105231 2.549624 2.554068 0.104753 -2.545898 0.103535 2.557897 -2.577494 0.976212 -0.981195 0.980243 -0.977044 -0.976006 -0.976495 0.988834 0.972805 -0.975336 -0.973834 0.978660 0.976942 -2.999339 -1.154258 1.150970 3.001620 -1.155041 -1.149048 -2.993934 1.153233 -1.152438 2.994760 1.147983 1.149574 1.148614 -1.144664 -2.996049 1.151105 1.147779 3.002570 -1.162578 1.155493 -3.005926 -1.153358 -1.152954 2.994874 -1.154586 3.005028 -1.149771 -1.149921 -3.001416 1.149888 1.149887 2.996295 1.156618 1.152082 -2.995762 -1.152980 3.410344 -1.517782 1.514237 -3.410162 -1.514910 -1.511748 3.410829 1.516442 -1.514416 -3.406611 1.510761 1.511033 1.514532 -1.515432 3.408889 1.521036 1.516532 -3.412333 -1.512555 1.508797 3.412804 -1.511861 -1.508896 -3.410205 -1.513185 -3.408027 -1.515803 -1.513044 3.408863 1.520250 1.510758 -3.413430 1.512235 1.514751 3.413651 -1.511025 -0.212146 -3.747132 3.753419 0.213133 -3.746549 -3.750413 -0.215298 3.751286 -3.762770 0.212065 3.745731 3.756689 3.748262 -3.756225 -0.206950 3.742775 3.752798 0.209744 -3.744347 3.754630 -0.210934 -3.747396 -3.753050 0.214024 -3.757897 0.205459 -3.746810 -3.753664 -0.209250 3.747325 3.753099 0.212803 3.745960 3.750156 -0.214116 -3.744833 0.005443 0.001803 -0.001799 1 3 -3 0.108399 -2.550066 2.556547 Rho 0.4361414E+07 3,-3 2 3 -3 -0.108414 -2.552552 -2.550898 Rho 0.4361414E+07 3,-3 3 3 -3 -0.107990 2.550756 2.557784 Rho 0.4361414E+07 3,-3 4 3 -3 2.553416 -2.557379 0.113481 Rho 0.4361414E+07 3,-3 5 3 -3 2.544595 2.557110 -0.113570 Rho 0.4361414E+07 3,-3 6 3 -3 -2.544236 2.558956 0.103992 Rho 0.4361414E+07 3,-3 7 3 -3 -2.551147 -2.554720 -0.103082 Rho 0.4361414E+07 3,-3 8 3 -3 -2.558358 -0.112413 -2.551627 Rho 0.4361414E+07 3,-3 9 3 -3 -2.556365 0.111550 2.551037 Rho 0.4361414E+07 3,-3 10 3 -3 2.554860 -0.105231 2.549624 Rho 0.4361414E+07 3,-3 11 3 -3 2.554068 0.104753 -2.545898 Rho 0.4361414E+07 3,-3 12 3 -3 0.103535 2.557897 -2.577494 Rho 0.1240647E+06 3,-3 13 3 -3 0.976212 -0.981195 0.980243 Rho 0.3190171E+03 3,-3 14 3 -3 -0.977044 -0.976006 -0.976495 Rho 0.3190182E+03 3,-3 15 3 -3 0.988834 0.972805 -0.975336 Rho 0.3190285E+03 3,-3 16 3 -3 -0.973834 0.978660 0.976942 Rho 0.3190185E+03 3,-3 17 3 -3 -2.999339 -1.154258 1.150970 Rho 0.3188703E+03 3,-3 18 3 -3 3.001620 -1.155041 -1.149048 Rho 0.3188713E+03 3,-3 19 3 -3 -2.993934 1.153233 -1.152438 Rho 0.3188752E+03 3,-3 20 3 -3 2.994760 1.147983 1.149574 Rho 0.3188713E+03 3,-3 21 3 -3 1.148614 -1.144664 -2.996049 Rho 0.3188717E+03 3,-3 22 3 -3 1.151105 1.147779 3.002570 Rho 0.3188708E+03 3,-3 23 3 -3 -1.162578 1.155493 -3.005926 Rho 0.3189458E+03 3,-3 24 3 -3 -1.153358 -1.152954 2.994874 Rho 0.3188702E+03 3,-3 25 3 -3 -1.154586 3.005028 -1.149771 Rho 0.3189427E+03 3,-3 26 3 -3 -1.149921 -3.001416 1.149888 Rho 0.3188711E+03 3,-3 27 3 -3 1.149887 2.996295 1.156618 Rho 0.3188708E+03 3,-3 28 3 -3 1.152082 -2.995762 -1.152980 Rho 0.3188700E+03 3,-3 29 3 -3 3.410344 -1.517782 1.514237 Rho 0.3189801E+03 3,-3 30 3 -3 -3.410162 -1.514910 -1.511748 Rho 0.3189803E+03 3,-3 31 3 -3 3.410829 1.516442 -1.514416 Rho 0.3189869E+03 3,-3 32 3 -3 -3.406611 1.510761 1.511033 Rho 0.3189806E+03 3,-3 33 3 -3 1.514532 -1.515432 3.408889 Rho 0.3189805E+03 3,-3 34 3 -3 1.521036 1.516532 -3.412333 Rho 0.3190533E+03 3,-3 35 3 -3 -1.512555 1.508797 3.412804 Rho 0.3189797E+03 3,-3 36 3 -3 -1.511861 -1.508896 -3.410205 Rho 0.3189803E+03 3,-3 37 3 -3 -1.513185 -3.408027 -1.515803 Rho 0.3189800E+03 3,-3 38 3 -3 -1.513044 3.408863 1.520250 Rho 0.3189799E+03 3,-3 39 3 -3 1.510758 -3.413430 1.512235 Rho 0.3189804E+03 3,-3 40 3 -3 1.514751 3.413651 -1.511025 Rho 0.3190496E+03 3,-3 41 3 -3 -0.212146 -3.747132 3.753419 Rho 0.3194091E+03 3,-3 42 3 -3 0.213133 -3.746549 -3.750413 Rho 0.3194095E+03 3,-3 43 3 -3 -0.215298 3.751286 -3.762770 Rho 0.3195597E+03 3,-3 44 3 -3 0.212065 3.745731 3.756689 Rho 0.3194096E+03 3,-3 45 3 -3 3.748262 -3.756225 -0.206950 Rho 0.3194099E+03 3,-3 46 3 -3 3.742775 3.752798 0.209744 Rho 0.3194093E+03 3,-3 47 3 -3 -3.744347 3.754630 -0.210934 Rho 0.3194082E+03 3,-3 48 3 -3 -3.747396 -3.753050 0.214024 Rho 0.3194098E+03 3,-3 49 3 -3 -3.757897 0.205459 -3.746810 Rho 0.3194094E+03 3,-3 50 3 -3 -3.753664 -0.209250 3.747325 Rho 0.3194098E+03 3,-3 51 3 -3 3.753099 0.212803 3.745960 Rho 0.3194091E+03 3,-3 52 3 -3 3.750156 -0.214116 -3.744833 Rho 0.3194095E+03 3,-3 53 3 -3 0.005443 0.001803 -0.001799 Rho 0.4276078E+05 3,-3 54 3 +1 -2.169235 -1.238326 -1.212614 Rho 0.2914646E-01 |GRAD(Rho)| 0.5226970E-16 GRAD(Rho)x 0.4910673E-16 GRAD(Rho)y 0.1779348E-16 GRAD(Rho)z 0.2010619E-17 Laplacian 0.1200708E+00 (-1/4)Del**2(Rho)) -0.3001771E-01 Diamond 0.2126594E-01 Metallicity 0.1584232E+01 Ellipticity -0.9827303E+01 Gb(Abramov) 0.2793764E-01 Vb(Abramov) -0.2585757E-01 Hb(Abramov) 0.2080069E-02 Ex_ueg -0.6624700E-02 Ec_ueg -0.1299665E-02 Delta_ex -0.7946884E-02 Delta_ec 0.2332321E-02 Delta_et -0.2133124E-01 Pxc 0.5097235E+01 Qxc -0.3407286E+01 3,+1 55 3 -1 -3.199133 -3.203839 0.068026 Rho 0.2538649E+00 |GRAD(Rho)| 0.6846054E-15 GRAD(Rho)x 0.5379811E-15 GRAD(Rho)y 0.3976854E-15 GRAD(Rho)z -0.1452831E-15 Laplacian 0.9205239E+00 (-1/4)Del**2(Rho)) -0.2301310E+00 Diamond 0.3470367E+01 Metallicity 0.7619313E+01 Ellipticity 0.1171338E-02 Gb(Abramov) 0.4456606E+00 Vb(Abramov) -0.6611903E+00 Hb(Abramov) -0.2155297E+00 Ex_ueg -0.1187195E+00 Ec_ueg -0.1540281E-01 Delta_ex -0.1128025E+00 Delta_ec 0.1987995E-01 Delta_et -0.2752351E+00 Pxc 0.7707647E+01 Qxc -0.5674183E+01 3,-1 56 3 +1 -0.530702 -1.660813 0.530436 Rho 0.8959887E-02 |GRAD(Rho)| 0.1554275E-12 GRAD(Rho)x 0.9444376E-13 GRAD(Rho)y -0.4701217E-13 GRAD(Rho)z -0.1141400E-12 Laplacian 0.3493632E-01 (-1/4)Del**2(Rho)) -0.8734080E-02 Diamond 0.9806273E-03 Metallicity 0.7623837E+00 Ellipticity -0.1453885E+01 Gb(Abramov) 0.6932507E-02 Vb(Abramov) -0.5130933E-02 Hb(Abramov) 0.1801573E-02 Ex_ueg -0.1374427E-02 Ec_ueg -0.3211111E-03 Delta_ex -0.1609273E-02 Delta_ec 0.4854769E-03 Delta_et -0.3358246E-02 Pxc 0.4280224E+01 Qxc -0.3314828E+01 3,+1 57 3 -1 -2.888562 -0.004225 -0.004586 Rho 0.5463935E-02 |GRAD(Rho)| 0.3644211E-17 GRAD(Rho)x -0.1478741E-17 GRAD(Rho)y 0.3158685E-17 GRAD(Rho)z 0.1056556E-17 Laplacian 0.2191614E-01 (-1/4)Del**2(Rho)) -0.5479035E-02 Diamond 0.6575562E-03 Metallicity 0.5329563E+00 Ellipticity 0.3167196E+01 Gb(Abramov) 0.4139371E-02 Vb(Abramov) -0.2799707E-02 Hb(Abramov) 0.1339664E-02 Ex_ueg -0.7107646E-03 Ec_ueg -0.1669321E-03 Delta_ex -0.1175992E-02 Delta_ec 0.8104624E-03 Delta_et -0.4472116E-02 Pxc 0.4257806E+01 Qxc -0.1451013E+01 3,-1 58 3 -1 -1.800098 2.779658 -0.564177 Rho 0.1455714E+00 |GRAD(Rho)| 0.4145796E-13 GRAD(Rho)x -0.3122310E-13 GRAD(Rho)y -0.6326055E-14 GRAD(Rho)z 0.2653039E-13 Laplacian 0.6106702E+00 (-1/4)Del**2(Rho)) -0.1526675E+00 Diamond 0.1191418E+01 Metallicity 0.4545692E+01 Ellipticity 0.1100465E-01 Gb(Abramov) 0.2174416E+00 Vb(Abramov) -0.2822157E+00 Hb(Abramov) -0.6477408E-01 Ex_ueg -0.5655702E-01 Ec_ueg -0.8160626E-02 Delta_ex -0.6507546E-01 Delta_ec 0.1556585E-01 Delta_et -0.2062382E+00 Pxc 0.6930476E+01 Qxc -0.4180656E+01 3,-1 59 3 -1 -2.988783 -1.989686 -0.851352 Rho 0.1402242E+00 |GRAD(Rho)| 0.4304995E-13 GRAD(Rho)x 0.1471420E-13 GRAD(Rho)y -0.2564164E-13 GRAD(Rho)z 0.3129372E-13 Laplacian 0.5528731E+00 (-1/4)Del**2(Rho)) -0.1382183E+00 Diamond 0.1036510E+01 Metallicity 0.4717290E+01 Ellipticity 0.3373021E-01 Gb(Abramov) 0.2008148E+00 Vb(Abramov) -0.2634113E+00 Hb(Abramov) -0.6259653E-01 Ex_ueg -0.5380413E-01 Ec_ueg -0.7820689E-02 Delta_ex -0.5843748E-01 Delta_ec 0.1432515E-01 Delta_et -0.1889756E+00 Pxc 0.6879718E+01 Qxc -0.4079363E+01 3,-1 60 3 +1 -1.734926 1.748404 -1.746698 Rho 0.1230588E-01 |GRAD(Rho)| 0.2914873E-12 GRAD(Rho)x 0.2456501E-12 GRAD(Rho)y 0.1073914E-12 GRAD(Rho)z -0.1144028E-12 Laplacian 0.6234615E-01 (-1/4)Del**2(Rho)) -0.1558654E-01 Diamond 0.2579977E-02 Metallicity 0.7249773E+00 Ellipticity -0.1245826E+01 Gb(Abramov) 0.1227434E-01 Vb(Abramov) -0.8962141E-02 Hb(Abramov) 0.3312198E-02 Ex_ueg -0.2098304E-02 Ec_ueg -0.4737077E-03 Delta_ex -0.3083346E-02 Delta_ec 0.8062581E-03 Delta_et -0.6085149E-02 Pxc 0.4429534E+01 Qxc -0.3824266E+01 3,+1 61 3 +1 -2.882935 -0.159936 -0.160290 Rho 0.5434834E-02 |GRAD(Rho)| 0.7374287E-17 GRAD(Rho)x -0.2699056E-18 GRAD(Rho)y -0.6257322E-17 GRAD(Rho)z 0.3892709E-17 Laplacian 0.2237925E-01 (-1/4)Del**2(Rho)) -0.5594812E-02 Diamond 0.5646147E-03 Metallicity 0.5173027E+00 Ellipticity -0.2912745E+01 Gb(Abramov) 0.4212243E-02 Vb(Abramov) -0.2829675E-02 Hb(Abramov) 0.1382569E-02 Ex_ueg -0.7057216E-03 Ec_ueg -0.1656732E-03 Delta_ex -0.1114884E-02 Delta_ec 0.6762273E-03 Delta_et -0.3776931E-02 Pxc 0.4259721E+01 Qxc -0.1648682E+01 3,+1 62 3 -1 -2.992696 -0.857742 -1.986264 Rho 0.1428895E+00 |GRAD(Rho)| 0.1294875E-15 GRAD(Rho)x 0.4227033E-16 GRAD(Rho)y -0.1217017E-15 GRAD(Rho)z 0.1299687E-16 Laplacian 0.5638074E+00 (-1/4)Del**2(Rho)) -0.1409518E+00 Diamond 0.1080785E+01 Metallicity 0.4773274E+01 Ellipticity 0.3624038E-01 Gb(Abramov) 0.2061015E+00 Vb(Abramov) -0.2712512E+00 Hb(Abramov) -0.6514967E-01 Ex_ueg -0.5517202E-01 Ec_ueg -0.7989905E-02 Delta_ex -0.5986297E-01 Delta_ec 0.1453385E-01 Delta_et -0.1922542E+00 Pxc 0.6905215E+01 Qxc -0.4118865E+01 3,-1 63 3 +3 -1.092055 1.114072 -1.118160 Rho 0.5252444E-02 |GRAD(Rho)| 0.3590993E-12 GRAD(Rho)x -0.2465960E-12 GRAD(Rho)y -0.1980237E-12 GRAD(Rho)z -0.1700863E-12 Laplacian 0.2031464E-01 (-1/4)Del**2(Rho)) -0.5078659E-02 Diamond 0.1500680E-03 Metallicity 0.5383604E+00 Ellipticity -0.4819548E-01 Gb(Abramov) 0.3841464E-02 Vb(Abramov) -0.2604269E-02 Hb(Abramov) 0.1237195E-02 Ex_ueg -0.6743214E-03 Ec_ueg -0.1577926E-03 Delta_ex -0.7100550E-03 Delta_ec 0.8684311E-04 Delta_et -0.7008902E-03 Pxc 0.4273466E+01 Qxc -0.8176296E+01 3,+3 64 3 -1 -3.194283 3.206608 -0.065945 Rho 0.2535607E+00 |GRAD(Rho)| 0.4166866E-13 GRAD(Rho)x 0.3028253E-13 GRAD(Rho)y -0.2801557E-13 GRAD(Rho)z 0.5862932E-14 Laplacian 0.9198593E+00 (-1/4)Del**2(Rho)) -0.2299648E+00 Diamond 0.3463086E+01 Metallicity 0.7609596E+01 Ellipticity 0.1528706E-02 Gb(Abramov) 0.4449664E+00 Vb(Abramov) -0.6599681E+00 Hb(Abramov) -0.2150016E+00 Ex_ueg -0.1185298E+00 Ec_ueg -0.1538156E-01 Delta_ex -0.1126866E+00 Delta_ec 0.1987491E-01 Delta_et -0.2751696E+00 Pxc 0.7705970E+01 Qxc -0.5669795E+01 3,-1 65 3 -1 -1.721518 1.731164 0.531578 Rho 0.4698313E-01 |GRAD(Rho)| 0.4347283E-13 GRAD(Rho)x 0.1623970E-13 GRAD(Rho)y -0.3498956E-13 GRAD(Rho)z 0.2004719E-13 Laplacian 0.1926199E+00 (-1/4)Del**2(Rho)) -0.4815498E-01 Diamond 0.8881738E-01 Metallicity 0.2188510E+01 Ellipticity 0.1113290E-01 Gb(Abramov) 0.4966793E-01 Vb(Abramov) -0.5118088E-01 Hb(Abramov) -0.1512950E-02 Ex_ueg -0.1252106E-01 Ec_ueg -0.2248804E-02 Delta_ex -0.1556666E-01 Delta_ec 0.5666245E-02 Delta_et -0.5876407E-01 Pxc 0.5567875E+01 Qxc -0.2747263E+01 3,-1 66 3 +1 -1.227476 2.169913 1.224631 Rho 0.2921601E-01 |GRAD(Rho)| 0.6845600E-15 GRAD(Rho)x -0.1273015E-15 GRAD(Rho)y 0.6669775E-15 GRAD(Rho)z 0.8693466E-16 Laplacian 0.1204032E+00 (-1/4)Del**2(Rho)) -0.3010081E-01 Diamond 0.2139820E-01 Metallicity 0.1586146E+01 Ellipticity -0.9940919E+01 Gb(Abramov) 0.2802459E-01 Vb(Abramov) -0.2594837E-01 Hb(Abramov) 0.2076221E-02 Ex_ueg -0.6645786E-02 Ec_ueg -0.1303239E-02 Delta_ex -0.7974204E-02 Delta_ec 0.2339318E-02 Delta_et -0.2140793E-01 Pxc 0.5099435E+01 Qxc -0.3408773E+01 3,+1 67 3 -1 -3.208088 0.059143 -3.199015 Rho 0.2536871E+00 |GRAD(Rho)| 0.8632279E-15 GRAD(Rho)x -0.7459311E-15 GRAD(Rho)y 0.2023392E-15 GRAD(Rho)z -0.3844581E-15 Laplacian 0.9202786E+00 (-1/4)Del**2(Rho)) -0.2300696E+00 Diamond 0.3466674E+01 Metallicity 0.7612450E+01 Ellipticity 0.1286577E-02 Gb(Abramov) 0.4452787E+00 Vb(Abramov) -0.6604878E+00 Hb(Abramov) -0.2152091E+00 Ex_ueg -0.1186086E+00 Ec_ueg -0.1539039E-01 Delta_ex -0.1127524E+00 Delta_ec 0.1988031E-01 Delta_et -0.2752437E+00 Pxc 0.7706667E+01 Qxc -0.5671562E+01 3,-1 68 3 +1 -2.884104 0.161799 0.161336 Rho 0.5429383E-02 |GRAD(Rho)| 0.8128283E-17 GRAD(Rho)x 0.4225129E-18 GRAD(Rho)y -0.7046724E-18 GRAD(Rho)z 0.8086650E-17 Laplacian 0.2237155E-01 (-1/4)Del**2(Rho)) -0.5592889E-02 Diamond 0.5602266E-03 Metallicity 0.5166159E+00 Ellipticity -0.2789515E+01 Gb(Abramov) 0.4210155E-02 Vb(Abramov) -0.2827421E-02 Hb(Abramov) 0.1382734E-02 Ex_ueg -0.7047780E-03 Ec_ueg -0.1654374E-03 Delta_ex -0.1111423E-02 Delta_ec 0.6708961E-03 Delta_et -0.3748159E-02 Pxc 0.4260088E+01 Qxc -0.1656625E+01 3,+1 69 3 -1 -3.204900 -0.061574 3.199048 Rho 0.2538653E+00 |GRAD(Rho)| 0.1684296E-10 GRAD(Rho)x -0.1170602E-10 GRAD(Rho)y -0.3136235E-11 GRAD(Rho)z 0.1169695E-10 Laplacian 0.9205297E+00 (-1/4)Del**2(Rho)) -0.2301324E+00 Diamond 0.3470378E+01 Metallicity 0.7619285E+01 Ellipticity 0.1201642E-02 Gb(Abramov) 0.4456624E+00 Vb(Abramov) -0.6611924E+00 Hb(Abramov) -0.2155300E+00 Ex_ueg -0.1187197E+00 Ec_ueg -0.1540284E-01 Delta_ex -0.1128032E+00 Delta_ec 0.1987992E-01 Delta_et -0.2752339E+00 Pxc 0.7707650E+01 Qxc -0.5674227E+01 3,-1 70 3 -1 -2.775808 -0.561864 1.802548 Rho 0.1399849E+00 |GRAD(Rho)| 0.8282074E-12 GRAD(Rho)x -0.1735752E-12 GRAD(Rho)y -0.5407285E-12 GRAD(Rho)z -0.6028365E-12 Laplacian 0.5899919E+00 (-1/4)Del**2(Rho)) -0.1474980E+00 Diamond 0.1100614E+01 Metallicity 0.4407941E+01 Ellipticity 0.8644969E-02 Gb(Abramov) 0.2066924E+00 Vb(Abramov) -0.2658868E+00 Hb(Abramov) -0.5919441E-01 Ex_ueg -0.5368175E-01 Ec_ueg -0.7805519E-02 Delta_ex -0.6229979E-01 Delta_ec 0.1523050E-01 Delta_et -0.2007367E+00 Pxc 0.6877410E+01 Qxc -0.4090462E+01 3,-1 71 3 -1 -2.774077 0.560940 -1.803445 Rho 0.1408169E+00 |GRAD(Rho)| 0.2334920E-15 GRAD(Rho)x -0.8036649E-17 GRAD(Rho)y 0.1202109E-15 GRAD(Rho)z 0.2000082E-15 Laplacian 0.5940652E+00 (-1/4)Del**2(Rho)) -0.1485163E+00 Diamond 0.1115641E+01 Metallicity 0.4421170E+01 Ellipticity 0.8586944E-02 Gb(Abramov) 0.2084468E+00 Vb(Abramov) -0.2683774E+00 Hb(Abramov) -0.5993054E-01 Ex_ueg -0.5410760E-01 Ec_ueg -0.7858283E-02 Delta_ex -0.6281524E-01 Delta_ec 0.1530405E-01 Delta_et -0.2018659E+00 Pxc 0.6885423E+01 Qxc -0.4104484E+01 3,-1 72 3 -1 -2.989845 0.855311 1.985471 Rho 0.1440165E+00 |GRAD(Rho)| 0.2864083E-15 GRAD(Rho)x -0.7203168E-16 GRAD(Rho)y 0.2644776E-15 GRAD(Rho)z -0.8302278E-16 Laplacian 0.5677742E+00 (-1/4)Del**2(Rho)) -0.1419436E+00 Diamond 0.1098711E+01 Metallicity 0.4802398E+01 Ellipticity 0.3736635E-01 Gb(Abramov) 0.2082406E+00 Vb(Abramov) -0.2745377E+00 Hb(Abramov) -0.6629705E-01 Ex_ueg -0.5575300E-01 Ec_ueg -0.8061593E-02 Delta_ex -0.6039992E-01 Delta_ec 0.1460802E-01 Delta_et -0.1934594E+00 Pxc 0.6915878E+01 Qxc -0.4134711E+01 3,-1 73 3 -1 -2.773620 -1.805592 0.564335 Rho 0.1422022E+00 |GRAD(Rho)| 0.6291805E-14 GRAD(Rho)x 0.1565385E-14 GRAD(Rho)y 0.5059619E-14 GRAD(Rho)z 0.3396561E-14 Laplacian 0.5997204E+00 (-1/4)Del**2(Rho)) -0.1499301E+00 Diamond 0.1139588E+01 Metallicity 0.4451516E+01 Ellipticity 0.7969059E-02 Gb(Abramov) 0.2111894E+00 Vb(Abramov) -0.2724488E+00 Hb(Abramov) -0.6125935E-01 Ex_ueg -0.5481843E-01 Ec_ueg -0.7946223E-02 Delta_ex -0.6356485E-01 Delta_ec 0.1541292E-01 Delta_et -0.2035984E+00 Pxc 0.6898678E+01 Qxc -0.4124129E+01 3,-1 74 3 -1 -2.767870 1.807137 -0.563899 Rho 0.1401443E+00 |GRAD(Rho)| 0.5722336E-14 GRAD(Rho)x 0.1395856E-14 GRAD(Rho)y -0.4998199E-14 GRAD(Rho)z -0.2411374E-14 Laplacian 0.5910978E+00 (-1/4)Del**2(Rho)) -0.1477744E+00 Diamond 0.1104413E+01 Metallicity 0.4408046E+01 Ellipticity 0.8119044E-02 Gb(Abramov) 0.2070824E+00 Vb(Abramov) -0.2663903E+00 Hb(Abramov) -0.5930794E-01 Ex_ueg -0.5376325E-01 Ec_ueg -0.7815622E-02 Delta_ex -0.6243635E-01 Delta_ec 0.1525925E-01 Delta_et -0.2011594E+00 Pxc 0.6878948E+01 Qxc -0.4091704E+01 3,-1 75 3 -1 -2.983630 1.989520 0.851038 Rho 0.1385690E+00 |GRAD(Rho)| 0.2572713E-13 GRAD(Rho)x 0.2206369E-13 GRAD(Rho)y -0.1286292E-13 GRAD(Rho)z 0.3102282E-14 Laplacian 0.5463257E+00 (-1/4)Del**2(Rho)) -0.1365814E+00 Diamond 0.1009442E+01 Metallicity 0.4680278E+01 Ellipticity 0.3225644E-01 Gb(Abramov) 0.1975941E+00 Vb(Abramov) -0.2586068E+00 Hb(Abramov) -0.6101270E-01 Ex_ueg -0.5295900E-01 Ec_ueg -0.7715830E-02 Delta_ex -0.5757575E-01 Delta_ec 0.1419070E-01 Delta_et -0.1868520E+00 Pxc 0.6863682E+01 Qxc -0.4057288E+01 3,-1 76 3 +3 -2.316570 0.002306 0.003307 Rho 0.4768884E-02 |GRAD(Rho)| 0.3472087E-15 GRAD(Rho)x 0.5552685E-16 GRAD(Rho)y -0.2478618E-15 GRAD(Rho)z -0.2367175E-15 Laplacian 0.1947150E-01 (-1/4)Del**2(Rho)) -0.4867874E-02 Diamond 0.1818631E-03 Metallicity 0.4781620E+00 Ellipticity -0.2864554E+00 Gb(Abramov) 0.3633188E-02 Vb(Abramov) -0.2398502E-02 Hb(Abramov) 0.1234686E-02 Ex_ueg -0.5928443E-03 Ec_ueg -0.1369805E-03 Delta_ex -0.7177822E-03 Delta_ec 0.1818694E-03 Delta_et -0.1148983E-02 Pxc 0.4327947E+01 Qxc -0.3946690E+01 3,+3 77 3 -1 -1.989528 -0.854408 -2.989350 Rho 0.1421404E+00 |GRAD(Rho)| 0.9021692E-12 GRAD(Rho)x -0.6659076E-12 GRAD(Rho)y 0.5801313E-12 GRAD(Rho)z -0.1841849E-12 Laplacian 0.5602678E+00 (-1/4)Del**2(Rho)) -0.1400670E+00 Diamond 0.1067317E+01 Metallicity 0.4761534E+01 Ellipticity 0.3605699E-01 Gb(Abramov) 0.2045336E+00 Vb(Abramov) -0.2690002E+00 Hb(Abramov) -0.6446661E-01 Ex_ueg -0.5478671E-01 Ec_ueg -0.7942302E-02 Delta_ex -0.5941176E-01 Delta_ec 0.1446265E-01 Delta_et -0.1911660E+00 Pxc 0.6898089E+01 Qxc -0.4107945E+01 3,-1 78 3 +1 -0.152828 -0.140563 -2.889232 Rho 0.5413394E-02 |GRAD(Rho)| 0.6689444E-16 GRAD(Rho)x -0.1347811E-16 GRAD(Rho)y 0.6536622E-16 GRAD(Rho)z -0.4523725E-17 Laplacian 0.2216064E-01 (-1/4)Del**2(Rho)) -0.5540161E-02 Diamond 0.5714972E-03 Metallicity 0.5189754E+00 Ellipticity -0.3587438E+01 Gb(Abramov) 0.4172642E-02 Vb(Abramov) -0.2805123E-02 Hb(Abramov) 0.1367519E-02 Ex_ueg -0.7020120E-03 Ec_ueg -0.1647460E-03 Delta_ex -0.1115961E-02 Delta_ec 0.6925320E-03 Delta_et -0.3853876E-02 Pxc 0.4261179E+01 Qxc -0.1611422E+01 3,+1 79 3 +1 -1.658781 -0.529728 0.533763 Rho 0.8924871E-02 |GRAD(Rho)| 0.3928236E-17 GRAD(Rho)x -0.1238938E-17 GRAD(Rho)y 0.2325582E-17 GRAD(Rho)z -0.2913373E-17 Laplacian 0.3471798E-01 (-1/4)Del**2(Rho)) -0.8679496E-02 Diamond 0.9696787E-03 Metallicity 0.7621877E+00 Ellipticity -0.1455369E+01 Gb(Abramov) 0.6888898E-02 Vb(Abramov) -0.5098300E-02 Hb(Abramov) 0.1790598E-02 Ex_ueg -0.1367270E-02 Ec_ueg -0.3195391E-03 Delta_ex -0.1597781E-02 Delta_ec 0.4827266E-03 Delta_et -0.3335650E-02 Pxc 0.4278883E+01 Qxc -0.3309908E+01 3,+1 80 3 +1 -1.740364 -1.742635 1.738016 Rho 0.1246677E-01 |GRAD(Rho)| 0.1675467E-16 GRAD(Rho)x -0.6766081E-17 GRAD(Rho)y 0.1439550E-16 GRAD(Rho)z 0.5263905E-17 Laplacian 0.6319571E-01 (-1/4)Del**2(Rho)) -0.1579893E-01 Diamond 0.2648941E-02 Metallicity 0.7308846E+00 Ellipticity -0.1240422E+01 Gb(Abramov) 0.1245715E-01 Vb(Abramov) -0.9115373E-02 Hb(Abramov) 0.3341777E-02 Ex_ueg -0.2134963E-02 Ec_ueg -0.4811594E-03 Delta_ex -0.3132489E-02 Delta_ec 0.8107612E-03 Delta_et -0.6143421E-02 Pxc 0.4437122E+01 Qxc -0.3863639E+01 3,+1 81 3 +1 0.534207 0.531000 1.660270 Rho 0.8984743E-02 |GRAD(Rho)| 0.3331700E-16 GRAD(Rho)x 0.9457321E-18 GRAD(Rho)y 0.1744392E-17 GRAD(Rho)z 0.3325786E-16 Laplacian 0.3492997E-01 (-1/4)Del**2(Rho)) -0.8732493E-02 Diamond 0.9837673E-03 Metallicity 0.7660510E+00 Ellipticity -0.1457854E+01 Gb(Abramov) 0.6936585E-02 Vb(Abramov) -0.5140676E-02 Hb(Abramov) 0.1795909E-02 Ex_ueg -0.1379513E-02 Ec_ueg -0.3222273E-03 Delta_ex -0.1609948E-02 Delta_ec 0.4850901E-03 Delta_et -0.3358189E-02 Pxc 0.4281182E+01 Qxc -0.3318865E+01 3,+1 82 3 -1 -0.563173 -1.802848 2.773623 Rho 0.1420889E+00 |GRAD(Rho)| 0.9881439E-14 GRAD(Rho)x -0.4159393E-14 GRAD(Rho)y -0.6091048E-14 GRAD(Rho)z -0.6575822E-14 Laplacian 0.5990741E+00 (-1/4)Del**2(Rho)) -0.1497685E+00 Diamond 0.1136871E+01 Metallicity 0.4450405E+01 Ellipticity 0.8415220E-02 Gb(Abramov) 0.2109341E+00 Vb(Abramov) -0.2720997E+00 Hb(Abramov) -0.6116558E-01 Ex_ueg -0.5476023E-01 Ec_ueg -0.7939028E-02 Delta_ex -0.6347972E-01 Delta_ec 0.1539165E-01 Delta_et -0.2032773E+00 Pxc 0.6897598E+01 Qxc -0.4124295E+01 3,-1 83 3 +1 -1.241165 -2.168067 -1.210350 Rho 0.2920214E-01 |GRAD(Rho)| 0.5924574E-16 GRAD(Rho)x -0.1291136E-16 GRAD(Rho)y 0.5781638E-16 GRAD(Rho)z 0.7881280E-18 Laplacian 0.1202660E+00 (-1/4)Del**2(Rho)) -0.3006650E-01 Diamond 0.2133190E-01 Metallicity 0.1586700E+01 Ellipticity -0.9748148E+01 Gb(Abramov) 0.2799542E-01 Vb(Abramov) -0.2592434E-01 Hb(Abramov) 0.2071079E-02 Ex_ueg -0.6641580E-02 Ec_ueg -0.1302527E-02 Delta_ex -0.7961647E-02 Delta_ec 0.2332243E-02 Delta_et -0.2134109E-01 Pxc 0.5098997E+01 Qxc -0.3413729E+01 3,+1 84 3 +1 -1.655979 0.533518 -0.531479 Rho 0.8981240E-02 |GRAD(Rho)| 0.1246204E-16 GRAD(Rho)x -0.1061000E-16 GRAD(Rho)y -0.4689102E-17 GRAD(Rho)z -0.4554423E-17 Laplacian 0.3497612E-01 (-1/4)Del**2(Rho)) -0.8744030E-02 Diamond 0.9866084E-03 Metallicity 0.7645432E+00 Ellipticity -0.1458234E+01 Gb(Abramov) 0.6943552E-02 Vb(Abramov) -0.5143073E-02 Hb(Abramov) 0.1800479E-02 Ex_ueg -0.1378796E-02 Ec_ueg -0.3220700E-03 Delta_ex -0.1612794E-02 Delta_ec 0.4872990E-03 Delta_et -0.3371872E-02 Pxc 0.4281046E+01 Qxc -0.3309659E+01 3,+1 85 3 +1 -2.165842 1.245395 1.205505 Rho 0.2921252E-01 |GRAD(Rho)| 0.7590810E-16 GRAD(Rho)x -0.6886397E-16 GRAD(Rho)y 0.1617003E-16 GRAD(Rho)z 0.2753768E-16 Laplacian 0.1204503E+00 (-1/4)Del**2(Rho)) -0.3011258E-01 Diamond 0.2141635E-01 Metallicity 0.1585210E+01 Ellipticity -0.9992177E+01 Gb(Abramov) 0.2803085E-01 Vb(Abramov) -0.2594911E-01 Hb(Abramov) 0.2081732E-02 Ex_ueg -0.6644725E-02 Ec_ueg -0.1303060E-02 Delta_ex -0.7978244E-02 Delta_ec 0.2342329E-02 Delta_et -0.2143464E-01 Pxc 0.5099325E+01 Qxc -0.3406116E+01 3,+1 86 3 -1 -0.039388 -0.026077 -2.893532 Rho 0.5426199E-02 |GRAD(Rho)| 0.8910831E-17 GRAD(Rho)x -0.6094842E-17 GRAD(Rho)y -0.6183925E-17 GRAD(Rho)z 0.2003719E-17 Laplacian 0.2176294E-01 (-1/4)Del**2(Rho)) -0.5440736E-02 Diamond 0.6468192E-03 Metallicity 0.5305444E+00 Ellipticity 0.3327323E+01 Gb(Abramov) 0.4108249E-02 Vb(Abramov) -0.2775762E-02 Hb(Abramov) 0.1332487E-02 Ex_ueg -0.7042270E-03 Ec_ueg -0.1652997E-03 Delta_ex -0.1166207E-02 Delta_ec 0.8046651E-03 Delta_et -0.4430813E-02 Pxc 0.4260303E+01 Qxc -0.1449308E+01 3,-1 87 3 +3 1.109900 -1.110052 -1.103484 Rho 0.5381587E-02 |GRAD(Rho)| 0.3349676E-14 GRAD(Rho)x -0.1735826E-14 GRAD(Rho)y -0.2220491E-14 GRAD(Rho)z 0.1810155E-14 Laplacian 0.2089170E-01 (-1/4)Del**2(Rho)) -0.5222925E-02 Diamond 0.1578630E-03 Metallicity 0.5451174E+00 Ellipticity -0.2493067E-01 Gb(Abramov) 0.3956468E-02 Vb(Abramov) -0.2690011E-02 Hb(Abramov) 0.1266457E-02 Ex_ueg -0.6965178E-03 Ec_ueg -0.1633708E-03 Delta_ex -0.7337673E-03 Delta_ec 0.8675793E-04 Delta_et -0.7105485E-03 Pxc 0.4263416E+01 Qxc -0.8457640E+01 3,+3 88 3 -1 -1.726503 -1.727791 -0.530952 Rho 0.4681693E-01 |GRAD(Rho)| 0.8934794E-16 GRAD(Rho)x 0.6054973E-16 GRAD(Rho)y 0.6359100E-16 GRAD(Rho)z -0.1652180E-16 Laplacian 0.1917941E+00 (-1/4)Del**2(Rho)) -0.4794852E-01 Diamond 0.8797921E-01 Metallicity 0.2184991E+01 Ellipticity 0.1098657E-01 Gb(Abramov) 0.4942686E-01 Vb(Abramov) -0.5090519E-01 Hb(Abramov) -0.1478340E-02 Ex_ueg -0.1246204E-01 Ec_ueg -0.2239696E-02 Delta_ex -0.1548461E-01 Delta_ec 0.5639389E-02 Delta_et -0.5843049E-01 Pxc 0.5564164E+01 Qxc -0.2745795E+01 3,-1 89 3 +3 -1.105913 -1.105679 1.103542 Rho 0.5317303E-02 |GRAD(Rho)| 0.6060230E-14 GRAD(Rho)x 0.9051668E-15 GRAD(Rho)y -0.4358407E-14 GRAD(Rho)z 0.4112342E-14 Laplacian 0.2070277E-01 (-1/4)Del**2(Rho)) -0.5175692E-02 Diamond 0.1552447E-03 Metallicity 0.5391842E+00 Ellipticity -0.1984558E-01 Gb(Abramov) 0.3915570E-02 Vb(Abramov) -0.2655448E-02 Hb(Abramov) 0.1260122E-02 Ex_ueg -0.6854466E-03 Ec_ueg -0.1605931E-03 Delta_ex -0.7258598E-03 Delta_ec 0.8806369E-04 Delta_et -0.7134818E-03 Pxc 0.4268219E+01 Qxc -0.8242441E+01 3,+3 90 3 +1 -1.228968 1.220317 2.170266 Rho 0.2912003E-01 |GRAD(Rho)| 0.5201572E-16 GRAD(Rho)x -0.1300630E-16 GRAD(Rho)y 0.1527595E-16 GRAD(Rho)z 0.4799080E-16 Laplacian 0.1198404E+00 (-1/4)Del**2(Rho)) -0.2996011E-01 Diamond 0.2116193E-01 Metallicity 0.1584879E+01 Ellipticity -0.9567758E+01 Gb(Abramov) 0.2788726E-01 Vb(Abramov) -0.2581442E-01 Hb(Abramov) 0.2072846E-02 Ex_ueg -0.6616689E-02 Ec_ueg -0.1298307E-02 Delta_ex -0.7926478E-02 Delta_ec 0.2322031E-02 Delta_et -0.2123290E-01 Pxc 0.5096398E+01 Qxc -0.3413597E+01 3,+1 91 3 -1 -1.983876 2.991824 0.856578 Rho 0.1413113E+00 |GRAD(Rho)| 0.1696948E-12 GRAD(Rho)x -0.6323789E-13 GRAD(Rho)y -0.4015072E-13 GRAD(Rho)z -0.1522669E-12 Laplacian 0.5569604E+00 (-1/4)Del**2(Rho)) -0.1392401E+00 Diamond 0.1053857E+01 Metallicity 0.4743331E+01 Ellipticity 0.3550801E-01 Gb(Abramov) 0.2029037E+00 Vb(Abramov) -0.2665673E+00 Hb(Abramov) -0.6366361E-01 Ex_ueg -0.5436099E-01 Ec_ueg -0.7889650E-02 Delta_ex -0.5897978E-01 Delta_ec 0.1440302E-01 Delta_et -0.1902223E+00 Pxc 0.6890165E+01 Qxc -0.4094959E+01 3,-1 92 3 -1 -0.531835 1.727102 1.729673 Rho 0.4710184E-01 |GRAD(Rho)| 0.3902213E-14 GRAD(Rho)x 0.2478405E-14 GRAD(Rho)y 0.2266572E-14 GRAD(Rho)z -0.1986815E-14 Laplacian 0.1932335E+00 (-1/4)Del**2(Rho)) -0.4830836E-01 Diamond 0.8942296E-01 Metallicity 0.2190756E+01 Ellipticity 0.1102426E-01 Gb(Abramov) 0.4984422E-01 Vb(Abramov) -0.5138007E-01 Hb(Abramov) -0.1535853E-02 Ex_ueg -0.1256326E-01 Ec_ueg -0.2255312E-02 Delta_ex -0.1562692E-01 Delta_ec 0.5685555E-02 Delta_et -0.5900375E-01 Pxc 0.5570519E+01 Qxc -0.2748530E+01 3,-1 93 3 -1 -1.727433 0.536046 1.726422 Rho 0.4677668E-01 |GRAD(Rho)| 0.6065424E-16 GRAD(Rho)x 0.6013426E-16 GRAD(Rho)y -0.1417298E-17 GRAD(Rho)z 0.7797362E-17 Laplacian 0.1917876E+00 (-1/4)Del**2(Rho)) -0.4794689E-01 Diamond 0.8784507E-01 Metallicity 0.2181934E+01 Ellipticity 0.1153396E-01 Gb(Abramov) 0.4940076E-01 Vb(Abramov) -0.5085462E-01 Hb(Abramov) -0.1453865E-02 Ex_ueg -0.1244775E-01 Ec_ueg -0.2237491E-02 Delta_ex -0.1547940E-01 Delta_ec 0.5636852E-02 Delta_et -0.5839046E-01 Pxc 0.5563264E+01 Qxc -0.2746107E+01 3,-1 94 3 -1 -1.811482 0.561822 -2.776770 Rho 0.1399189E+00 |GRAD(Rho)| 0.3677019E-14 GRAD(Rho)x 0.2800494E-14 GRAD(Rho)y 0.1580198E-14 GRAD(Rho)z 0.1783445E-14 Laplacian 0.5868604E+00 (-1/4)Del**2(Rho)) -0.1467151E+00 Diamond 0.1094027E+01 Metallicity 0.4427978E+01 Ellipticity 0.1025176E-01 Gb(Abramov) 0.2060853E+00 Vb(Abramov) -0.2654555E+00 Hb(Abramov) -0.5937017E-01 Ex_ueg -0.5364798E-01 Ec_ueg -0.7801333E-02 Delta_ex -0.6196064E-01 Delta_ec 0.1514897E-01 Delta_et -0.1996428E+00 Pxc 0.6876772E+01 Qxc -0.4090090E+01 3,-1 95 3 +1 0.533941 -1.657412 -0.532318 Rho 0.9009099E-02 |GRAD(Rho)| 0.4150845E-17 GRAD(Rho)x 0.2447747E-17 GRAD(Rho)y 0.3001733E-17 GRAD(Rho)z 0.1492532E-17 Laplacian 0.3502054E-01 (-1/4)Del**2(Rho)) -0.8755136E-02 Diamond 0.9913243E-03 Metallicity 0.7675251E+00 Ellipticity -0.1460736E+01 Gb(Abramov) 0.6956722E-02 Vb(Abramov) -0.5158307E-02 Hb(Abramov) 0.1798414E-02 Ex_ueg -0.1384502E-02 Ec_ueg -0.3233213E-03 Delta_ex -0.1615811E-02 Delta_ec 0.4873743E-03 Delta_et -0.3375504E-02 Pxc 0.4282124E+01 Qxc -0.3315340E+01 3,+1 96 3 -1 -1.988951 0.853854 2.990501 Rho 0.1419376E+00 |GRAD(Rho)| 0.9906262E-16 GRAD(Rho)x -0.1688645E-16 GRAD(Rho)y -0.7880795E-16 GRAD(Rho)z 0.5759824E-16 Laplacian 0.5595828E+00 (-1/4)Del**2(Rho)) -0.1398957E+00 Diamond 0.1064554E+01 Metallicity 0.4756030E+01 Ellipticity 0.3514351E-01 Gb(Abramov) 0.2041551E+00 Vb(Abramov) -0.2684146E+00 Hb(Abramov) -0.6425945E-01 Ex_ueg -0.5468249E-01 Ec_ueg -0.7929418E-02 Delta_ex -0.5932241E-01 Delta_ec 0.1445707E-01 Delta_et -0.1910665E+00 Pxc 0.6896155E+01 Qxc -0.4103351E+01 3,-1 97 3 +1 -0.164211 -2.885408 -0.166345 Rho 0.5478795E-02 |GRAD(Rho)| 0.6825093E-17 GRAD(Rho)x 0.5303066E-17 GRAD(Rho)y 0.7817838E-18 GRAD(Rho)z -0.4224713E-17 Laplacian 0.2257725E-01 (-1/4)Del**2(Rho)) -0.5644312E-02 Diamond 0.5707649E-03 Metallicity 0.5196975E+00 Ellipticity -0.2793767E+01 Gb(Abramov) 0.4251763E-02 Vb(Abramov) -0.2859215E-02 Hb(Abramov) 0.1392548E-02 Ex_ueg -0.7133431E-03 Ec_ueg -0.1675751E-03 Delta_ex -0.1122393E-02 Delta_ec 0.6747946E-03 Delta_et -0.3781091E-02 Pxc 0.4256855E+01 Qxc -0.1663310E+01 3,+1 98 3 -1 -1.801617 -2.776250 0.563907 Rho 0.1424166E+00 |GRAD(Rho)| 0.4365230E-15 GRAD(Rho)x -0.2221801E-15 GRAD(Rho)y 0.1247442E-15 GRAD(Rho)z -0.3544392E-15 Laplacian 0.6001987E+00 (-1/4)Del**2(Rho)) -0.1500497E+00 Diamond 0.1141962E+01 Metallicity 0.4459154E+01 Ellipticity 0.8262005E-02 Gb(Abramov) 0.2115489E+00 Vb(Abramov) -0.2730481E+00 Hb(Abramov) -0.6149922E-01 Ex_ueg -0.5492869E-01 Ec_ueg -0.7959849E-02 Delta_ex -0.6363254E-01 Delta_ec 0.1540806E-01 Delta_et -0.2035551E+00 Pxc 0.6900720E+01 Qxc -0.4129823E+01 3,-1 99 3 +1 1.660010 0.524017 0.537643 Rho 0.9140764E-02 |GRAD(Rho)| 0.1693264E-15 GRAD(Rho)x -0.9712929E-16 GRAD(Rho)y 0.1343946E-15 GRAD(Rho)z -0.3428435E-16 Laplacian 0.3550010E-01 (-1/4)Del**2(Rho)) -0.8875026E-02 Diamond 0.1021701E-02 Metallicity 0.7756891E+00 Ellipticity -0.1464387E+01 Gb(Abramov) 0.7064061E-02 Vb(Abramov) -0.5253096E-02 Hb(Abramov) 0.1810965E-02 Ex_ueg -0.1411546E-02 Ec_ueg -0.3292398E-03 Delta_ex -0.1642641E-02 Delta_ec 0.4916116E-03 Delta_et -0.3419456E-02 Pxc 0.4287288E+01 Qxc -0.3341338E+01 3,+1 100 3 +1 -0.519664 1.664157 -0.545364 Rho 0.8791279E-02 |GRAD(Rho)| 0.3749257E-15 GRAD(Rho)x -0.1066809E-16 GRAD(Rho)y -0.2894625E-15 GRAD(Rho)z 0.2380482E-15 Laplacian 0.3397697E-01 (-1/4)Del**2(Rho)) -0.8494243E-02 Diamond 0.9449790E-03 Metallicity 0.7594781E+00 Ellipticity -0.1475687E+01 Gb(Abramov) 0.6738027E-02 Vb(Abramov) -0.4981811E-02 Hb(Abramov) 0.1756216E-02 Ex_ueg -0.1340050E-02 Ec_ueg -0.3135466E-03 Delta_ex -0.1564393E-02 Delta_ec 0.4843877E-03 Delta_et -0.3324471E-02 Pxc 0.4273848E+01 Qxc -0.3229629E+01 3,+1 101 3 +3 1.104452 1.106722 1.112249 Rho 0.5379970E-02 |GRAD(Rho)| 0.4342528E-17 GRAD(Rho)x 0.8241366E-18 GRAD(Rho)y 0.1909088E-17 GRAD(Rho)z -0.3812313E-17 Laplacian 0.2088550E-01 (-1/4)Del**2(Rho)) -0.5221375E-02 Diamond 0.1577543E-03 Metallicity 0.5450061E+00 Ellipticity -0.1468060E-01 Gb(Abramov) 0.3955197E-02 Vb(Abramov) -0.2689019E-02 Hb(Abramov) 0.1266178E-02 Ex_ueg -0.6962387E-03 Ec_ueg -0.1633009E-03 Delta_ex -0.7334906E-03 Delta_ec 0.8673713E-04 Delta_et -0.7103287E-03 Pxc 0.4263532E+01 Qxc -0.8456477E+01 3,+3 102 3 +1 -0.525683 0.545024 -1.665857 Rho 0.8717370E-02 |GRAD(Rho)| 0.1262351E-16 GRAD(Rho)x 0.8262165E-17 GRAD(Rho)y -0.2532198E-18 GRAD(Rho)z 0.9540734E-17 Laplacian 0.3367846E-01 (-1/4)Del**2(Rho)) -0.8419614E-02 Diamond 0.9270730E-03 Metallicity 0.7555041E+00 Ellipticity -0.1473877E+01 Gb(Abramov) 0.6673251E-02 Vb(Abramov) -0.4926889E-02 Hb(Abramov) 0.1746363E-02 Ex_ueg -0.1325050E-02 Ec_ueg -0.3102346E-03 Delta_ex -0.1547832E-02 Delta_ec 0.4810113E-03 Delta_et -0.3293421E-02 Pxc 0.4271123E+01 Qxc -0.3217871E+01 3,+1 103 3 +3 0.013577 2.319612 -0.018632 Rho 0.4730099E-02 |GRAD(Rho)| 0.1685534E-14 GRAD(Rho)x -0.6480170E-15 GRAD(Rho)y -0.1354654E-14 GRAD(Rho)z 0.7655135E-15 Laplacian 0.1927023E-01 (-1/4)Del**2(Rho)) -0.4817557E-02 Diamond 0.1791719E-03 Metallicity 0.4766249E+00 Ellipticity -0.3329423E+00 Gb(Abramov) 0.3594399E-02 Vb(Abramov) -0.2371241E-02 Hb(Abramov) 0.1223158E-02 Ex_ueg -0.5864244E-03 Ec_ueg -0.1353164E-03 Delta_ex -0.7100532E-03 Delta_ec 0.1820843E-03 Delta_et -0.1145218E-02 Pxc 0.4333727E+01 Qxc -0.3899586E+01 3,+3 104 3 +1 -0.143871 2.886976 0.144507 Rho 0.5429543E-02 |GRAD(Rho)| 0.3683769E-16 GRAD(Rho)x -0.2295313E-16 GRAD(Rho)y 0.6736524E-18 GRAD(Rho)z 0.2880477E-16 Laplacian 0.2219395E-01 (-1/4)Del**2(Rho)) -0.5548488E-02 Diamond 0.5806582E-03 Metallicity 0.5207757E+00 Ellipticity -0.4052268E+01 Gb(Abramov) 0.4180578E-02 Vb(Abramov) -0.2812668E-02 Hb(Abramov) 0.1367910E-02 Ex_ueg -0.7048058E-03 Ec_ueg -0.1654444E-03 Delta_ex -0.1123286E-02 Delta_ec 0.7024911E-03 Delta_et -0.3909191E-02 Pxc 0.4260077E+01 Qxc -0.1599004E+01 3,+1 105 3 +3 0.001149 0.018989 -2.320017 Rho 0.4724603E-02 |GRAD(Rho)| 0.4679323E-17 GRAD(Rho)x 0.3109887E-17 GRAD(Rho)y 0.1872037E-17 GRAD(Rho)z 0.2952989E-17 Laplacian 0.1925914E-01 (-1/4)Del**2(Rho)) -0.4814785E-02 Diamond 0.1790399E-03 Metallicity 0.4759761E+00 Ellipticity -0.3218037E+00 Gb(Abramov) 0.3591811E-02 Vb(Abramov) -0.2368836E-02 Hb(Abramov) 0.1222975E-02 Ex_ueg -0.5855161E-03 Ec_ueg -0.1350807E-03 Delta_ex -0.7096879E-03 Delta_ec 0.1824328E-03 Delta_et -0.1146474E-02 Pxc 0.4334566E+01 Qxc -0.3890133E+01 3,+3 106 3 +1 -1.224997 -1.224958 -2.168844 Rho 0.2921142E-01 |GRAD(Rho)| 0.1808164E-14 GRAD(Rho)x -0.7995651E-15 GRAD(Rho)y -0.1356639E-15 GRAD(Rho)z -0.1616090E-14 Laplacian 0.1204035E+00 (-1/4)Del**2(Rho)) -0.3010087E-01 Diamond 0.2139582E-01 Metallicity 0.1585727E+01 Ellipticity -0.9929203E+01 Gb(Abramov) 0.2802254E-01 Vb(Abramov) -0.2594421E-01 Hb(Abramov) 0.2078327E-02 Ex_ueg -0.6644392E-02 Ec_ueg -0.1303003E-02 Delta_ex -0.7974083E-02 Delta_ec 0.2339669E-02 Delta_et -0.2141027E-01 Pxc 0.5099290E+01 Qxc -0.3408209E+01 3,+1 107 3 -1 -1.729852 -0.535085 -1.726640 Rho 0.4691420E-01 |GRAD(Rho)| 0.7561913E-16 GRAD(Rho)x -0.6535410E-16 GRAD(Rho)y 0.3714917E-16 GRAD(Rho)z -0.8187420E-17 Laplacian 0.1925053E+00 (-1/4)Del**2(Rho)) -0.4812632E-01 Diamond 0.8857120E-01 Metallicity 0.2184461E+01 Ellipticity 0.1152885E-01 Gb(Abramov) 0.4960589E-01 Vb(Abramov) -0.5108546E-01 Hb(Abramov) -0.1479574E-02 Ex_ueg -0.1249657E-01 Ec_ueg -0.2245025E-02 Delta_ex -0.1555089E-01 Delta_ec 0.5661572E-02 Delta_et -0.5869264E-01 Pxc 0.5566337E+01 Qxc -0.2746745E+01 3,-1 108 3 +1 -0.532357 -0.530031 1.658099 Rho 0.8980034E-02 |GRAD(Rho)| 0.1970025E-16 GRAD(Rho)x -0.7084342E-17 GRAD(Rho)y -0.1756187E-17 GRAD(Rho)z 0.1829829E-16 Laplacian 0.3501058E-01 (-1/4)Del**2(Rho)) -0.8752646E-02 Diamond 0.9871373E-03 Metallicity 0.7636196E+00 Ellipticity -0.1456619E+01 Gb(Abramov) 0.6949046E-02 Vb(Abramov) -0.5145446E-02 Hb(Abramov) 0.1803600E-02 Ex_ueg -0.1378549E-02 Ec_ueg -0.3220158E-03 Delta_ex -0.1614216E-02 Delta_ec 0.4875800E-03 Delta_et -0.3373861E-02 Pxc 0.4281000E+01 Qxc -0.3310669E+01 3,+1 109 3 +1 1.225021 -2.172826 1.227565 Rho 0.2931184E-01 |GRAD(Rho)| 0.3340386E-16 GRAD(Rho)x -0.2747083E-16 GRAD(Rho)y 0.1594933E-16 GRAD(Rho)z 0.1033394E-16 Laplacian 0.1208707E+00 (-1/4)Del**2(Rho)) -0.3021766E-01 Diamond 0.2155933E-01 Metallicity 0.1588659E+01 Ellipticity -0.9868450E+01 Gb(Abramov) 0.2814604E-01 Vb(Abramov) -0.2607441E-01 Hb(Abramov) 0.2071627E-02 Ex_ueg -0.6674865E-02 Ec_ueg -0.1308166E-02 Delta_ex -0.8010433E-02 Delta_ec 0.2345446E-02 Delta_et -0.2148185E-01 Pxc 0.5102461E+01 Qxc -0.3415314E+01 3,+1 110 3 +3 -0.001284 -0.000074 2.315601 Rho 0.4795841E-02 |GRAD(Rho)| 0.1729789E-13 GRAD(Rho)x 0.5095114E-14 GRAD(Rho)y 0.1381309E-13 GRAD(Rho)z 0.9080493E-14 Laplacian 0.1958669E-01 (-1/4)Del**2(Rho)) -0.4896673E-02 Diamond 0.1830534E-03 Metallicity 0.4798365E+00 Ellipticity -0.2869467E+00 Gb(Abramov) 0.3656049E-02 Vb(Abramov) -0.2415425E-02 Hb(Abramov) 0.1240624E-02 Ex_ueg -0.5973168E-03 Ec_ueg -0.1381376E-03 Delta_ex -0.7218038E-03 Delta_ec 0.1806819E-03 Delta_et -0.1146124E-02 Pxc 0.4324071E+01 Qxc -0.3994887E+01 3,+3 111 3 -1 -0.855008 -2.988707 -1.988165 Rho 0.1426782E+00 |GRAD(Rho)| 0.3933468E-13 GRAD(Rho)x -0.6762630E-14 GRAD(Rho)y 0.2708582E-13 GRAD(Rho)z -0.2770996E-13 Laplacian 0.5625055E+00 (-1/4)Del**2(Rho)) -0.1406264E+00 Diamond 0.1076664E+01 Metallicity 0.4772537E+01 Ellipticity 0.3620972E-01 Gb(Abramov) 0.2056084E+00 Vb(Abramov) -0.2705903E+00 Hb(Abramov) -0.6498198E-01 Ex_ueg -0.5506328E-01 Ec_ueg -0.7976476E-02 Delta_ex -0.5970627E-01 Delta_ec 0.1451104E-01 Delta_et -0.1919221E+00 Pxc 0.6903209E+01 Qxc -0.4114541E+01 3,-1 112 3 -1 -0.564955 1.813942 -2.784993 Rho 0.1322320E+00 |GRAD(Rho)| 0.5866839E-16 GRAD(Rho)x -0.1802486E-16 GRAD(Rho)y -0.4622767E-16 GRAD(Rho)z -0.3130634E-16 Laplacian 0.5570074E+00 (-1/4)Del**2(Rho)) -0.1392519E+00 Diamond 0.9558701E+00 Metallicity 0.4245998E+01 Ellipticity 0.1304733E-01 Gb(Abramov) 0.1913784E+00 Vb(Abramov) -0.2435050E+00 Hb(Abramov) -0.5212657E-01 Ex_ueg -0.4975467E-01 Ec_ueg -0.7316003E-02 Delta_ex -0.5783898E-01 Delta_ec 0.1427403E-01 Delta_et -0.1858914E+00 Pxc 0.6800799E+01 Qxc -0.4052043E+01 3,-1 113 3 -1 -0.854246 1.984472 2.993450 Rho 0.1414707E+00 |GRAD(Rho)| 0.5867308E-15 GRAD(Rho)x 0.5778798E-15 GRAD(Rho)y -0.9367507E-16 GRAD(Rho)z 0.3915325E-16 Laplacian 0.5578731E+00 (-1/4)Del**2(Rho)) -0.1394683E+00 Diamond 0.1057024E+01 Metallicity 0.4744479E+01 Ellipticity 0.3502750E-01 Gb(Abramov) 0.2032629E+00 Vb(Abramov) -0.2670575E+00 Hb(Abramov) -0.6379463E-01 Ex_ueg -0.5444279E-01 Ec_ueg -0.7899771E-02 Delta_ex -0.5909277E-01 Delta_ec 0.1442285E-01 Delta_et -0.1905168E+00 Pxc 0.6891692E+01 Qxc -0.4097165E+01 3,-1 114 3 -1 -0.853849 -1.985311 -2.988819 Rho 0.1407927E+00 |GRAD(Rho)| 0.2455866E-15 GRAD(Rho)x -0.1611802E-15 GRAD(Rho)y -0.1850733E-15 GRAD(Rho)z 0.9032759E-17 Laplacian 0.5548859E+00 (-1/4)Del**2(Rho)) -0.1387215E+00 Diamond 0.1045474E+01 Metallicity 0.4731981E+01 Ellipticity 0.3424710E-01 Gb(Abramov) 0.2018855E+00 Vb(Abramov) -0.2650496E+00 Hb(Abramov) -0.6316406E-01 Ex_ueg -0.5409517E-01 Ec_ueg -0.7856743E-02 Delta_ex -0.5870935E-01 Delta_ec 0.1436551E-01 Delta_et -0.1896289E+00 Pxc 0.6885190E+01 Qxc -0.4086825E+01 3,-1 115 3 -1 -0.533657 -1.726634 -1.726079 Rho 0.4715765E-01 |GRAD(Rho)| 0.1118264E-15 GRAD(Rho)x 0.1687311E-16 GRAD(Rho)y 0.1996880E-17 GRAD(Rho)z -0.1105281E-15 Laplacian 0.1934149E+00 (-1/4)Del**2(Rho)) -0.4835373E-01 Diamond 0.8962929E-01 Metallicity 0.2193024E+01 Ellipticity 0.1099846E-01 Gb(Abramov) 0.4990930E-01 Vb(Abramov) -0.5146488E-01 Hb(Abramov) -0.1555574E-02 Ex_ueg -0.1258311E-01 Ec_ueg -0.2258372E-02 Delta_ex -0.1564523E-01 Delta_ec 0.5689025E-02 Delta_et -0.5905769E-01 Pxc 0.5571760E+01 Qxc -0.2750073E+01 3,-1 116 3 +3 0.000310 -2.315460 -0.000360 Rho 0.4797491E-02 |GRAD(Rho)| 0.1195680E-16 GRAD(Rho)x 0.3249218E-17 GRAD(Rho)y 0.6103770E-17 GRAD(Rho)z 0.9754564E-17 Laplacian 0.1959326E-01 (-1/4)Del**2(Rho)) -0.4898315E-02 Diamond 0.1831799E-03 Metallicity 0.4799508E+00 Ellipticity -0.2871353E+00 Gb(Abramov) 0.3657368E-02 Vb(Abramov) -0.2416422E-02 Hb(Abramov) 0.1240947E-02 Ex_ueg -0.5975908E-03 Ec_ueg -0.1382084E-03 Delta_ex -0.7220895E-03 Delta_ec 0.1807067E-03 Delta_et -0.1146425E-02 Pxc 0.4323838E+01 Qxc -0.3995920E+01 3,+3 117 3 +1 0.537844 1.656689 0.533116 Rho 0.9029936E-02 |GRAD(Rho)| 0.7211298E-17 GRAD(Rho)x 0.3980671E-17 GRAD(Rho)y 0.5764595E-17 GRAD(Rho)z 0.1710705E-17 Laplacian 0.3502126E-01 (-1/4)Del**2(Rho)) -0.8755315E-02 Diamond 0.9936571E-03 Metallicity 0.7704703E+00 Ellipticity -0.1463700E+01 Gb(Abramov) 0.6961161E-02 Vb(Abramov) -0.5167008E-02 Hb(Abramov) 0.1794153E-02 Ex_ueg -0.1388773E-02 Ec_ueg -0.3242574E-03 Delta_ex -0.1616451E-02 Delta_ec 0.4867688E-03 Delta_et -0.3373799E-02 Pxc 0.4282934E+01 Qxc -0.3320777E+01 3,+1 118 3 -1 -0.559441 2.775520 -1.820484 Rho 0.1267360E+00 |GRAD(Rho)| 0.1307687E-13 GRAD(Rho)x 0.8294004E-14 GRAD(Rho)y -0.1146188E-14 GRAD(Rho)z -0.1004492E-13 Laplacian 0.5320772E+00 (-1/4)Del**2(Rho)) -0.1330193E+00 Diamond 0.8689416E+00 Metallicity 0.4141319E+01 Ellipticity 0.7549318E-02 Gb(Abramov) 0.1804921E+00 Vb(Abramov) -0.2279649E+00 Hb(Abramov) -0.4747279E-01 Ex_ueg -0.4701667E-01 Ec_ueg -0.6971372E-02 Delta_ex -0.5470122E-01 Delta_ec 0.1380340E-01 Delta_et -0.1786081E+00 Pxc 0.6744249E+01 Qxc -0.3962881E+01 3,-1 119 3 -1 -0.466140 0.472330 0.469638 Rho 0.1874334E+00 |GRAD(Rho)| 0.5499613E-14 GRAD(Rho)x 0.3257811E-14 GRAD(Rho)y -0.3021888E-14 GRAD(Rho)z -0.3240463E-14 Laplacian 0.5206395E+00 (-1/4)Del**2(Rho)) -0.1301599E+00 Diamond 0.1408148E+01 Metallicity 0.8124956E+01 Ellipticity 0.1091153E-03 Gb(Abramov) 0.2630305E+00 Vb(Abramov) -0.3959010E+00 Hb(Abramov) -0.1328706E+00 Ex_ueg -0.7922235E-01 Ec_ueg -0.1088149E-01 Delta_ex -0.5932400E-01 Delta_ec 0.1286230E-01 Delta_et -0.1770344E+00 Pxc 0.7280470E+01 Qxc -0.4612239E+01 3,-1 120 3 +1 -0.167110 0.163857 2.886822 Rho 0.5473137E-02 |GRAD(Rho)| 0.9036867E-15 GRAD(Rho)x -0.6243955E-15 GRAD(Rho)y 0.6517198E-15 GRAD(Rho)z 0.4518033E-16 Laplacian 0.2256283E-01 (-1/4)Del**2(Rho)) -0.5640707E-02 Diamond 0.5670453E-03 Metallicity 0.5191348E+00 Ellipticity -0.2718449E+01 Gb(Abramov) 0.4248519E-02 Vb(Abramov) -0.2856331E-02 Hb(Abramov) 0.1392188E-02 Ex_ueg -0.7123610E-03 Ec_ueg -0.1673303E-03 Delta_ex -0.1119336E-02 Delta_ec 0.6705977E-03 Delta_et -0.3758004E-02 Pxc 0.4257215E+01 Qxc -0.1669161E+01 3,+1 121 3 +1 0.178375 0.194094 -2.888636 Rho 0.5352992E-02 |GRAD(Rho)| 0.3588173E-15 GRAD(Rho)x 0.2557196E-15 GRAD(Rho)y 0.2506057E-15 GRAD(Rho)z -0.2353876E-16 Laplacian 0.2224976E-01 (-1/4)Del**2(Rho)) -0.5562439E-02 Diamond 0.5283639E-03 Metallicity 0.5073203E+00 Ellipticity -0.2277936E+01 Gb(Abramov) 0.4178616E-02 Vb(Abramov) -0.2794792E-02 Hb(Abramov) 0.1383823E-02 Ex_ueg -0.6915876E-03 Ec_ueg -0.1621350E-03 Delta_ex -0.1086761E-02 Delta_ec 0.6395559E-03 Delta_et -0.3569656E-02 Pxc 0.4265505E+01 Qxc -0.1699243E+01 3,+1 122 3 -1 0.562431 -2.772246 -1.803248 Rho 0.1417591E+00 |GRAD(Rho)| 0.3256476E-15 GRAD(Rho)x -0.8222318E-16 GRAD(Rho)y -0.2981556E-18 GRAD(Rho)z -0.3150963E-15 Laplacian 0.5979054E+00 (-1/4)Del**2(Rho)) -0.1494763E+00 Diamond 0.1131630E+01 Metallicity 0.4441870E+01 Ellipticity 0.8349680E-02 Gb(Abramov) 0.2103100E+00 Vb(Abramov) -0.2711436E+00 Hb(Abramov) -0.6083363E-01 Ex_ueg -0.5459085E-01 Ec_ueg -0.7918086E-02 Delta_ex -0.6332147E-01 Delta_ec 0.1537304E-01 Delta_et -0.2029673E+00 Pxc 0.6894450E+01 Qxc -0.4118994E+01 3,-1 123 3 -1 0.065091 -3.199285 -3.200644 Rho 0.2538022E+00 |GRAD(Rho)| 0.4301763E-15 GRAD(Rho)x 0.6179952E-17 GRAD(Rho)y 0.2938188E-16 GRAD(Rho)z -0.4291272E-15 Laplacian 0.9208605E+00 (-1/4)Del**2(Rho)) -0.2302151E+00 Diamond 0.3469935E+01 Metallicity 0.7613396E+01 Ellipticity 0.1144129E-02 Gb(Abramov) 0.4455966E+00 Vb(Abramov) -0.6609780E+00 Hb(Abramov) -0.2153814E+00 Ex_ueg -0.1186804E+00 Ec_ueg -0.1539844E-01 Delta_ex -0.1128331E+00 Delta_ec 0.1988282E-01 Delta_et -0.2752456E+00 Pxc 0.7707302E+01 Qxc -0.5674905E+01 3,-1 124 3 -1 -0.002733 -2.891386 -0.004886 Rho 0.5512477E-02 |GRAD(Rho)| 0.1625493E-16 GRAD(Rho)x 0.1153309E-16 GRAD(Rho)y -0.9350358E-18 GRAD(Rho)z -0.1141648E-16 Laplacian 0.2208769E-01 (-1/4)Del**2(Rho)) -0.5521923E-02 Diamond 0.6713779E-03 Metallicity 0.5366702E+00 Ellipticity 0.2932576E+01 Gb(Abramov) 0.4175190E-02 Vb(Abramov) -0.2828458E-02 Hb(Abramov) 0.1346732E-02 Ex_ueg -0.7191963E-03 Ec_ueg -0.1690330E-03 Delta_ex -0.1187745E-02 Delta_ec 0.8179007E-03 Delta_et -0.4524956E-02 Pxc 0.4254768E+01 Qxc -0.1452187E+01 3,-1 125 3 +1 0.168571 -2.886362 0.166632 Rho 0.5472951E-02 |GRAD(Rho)| 0.2686749E-15 GRAD(Rho)x 0.1944239E-15 GRAD(Rho)y -0.1133093E-16 GRAD(Rho)z 0.1850870E-15 Laplacian 0.2256817E-01 (-1/4)Del**2(Rho)) -0.5642043E-02 Diamond 0.5651404E-03 Metallicity 0.5189825E+00 Ellipticity -0.2672100E+01 Gb(Abramov) 0.4249382E-02 Vb(Abramov) -0.2856721E-02 Hb(Abramov) 0.1392661E-02 Ex_ueg -0.7123288E-03 Ec_ueg -0.1673223E-03 Delta_ex -0.1117936E-02 Delta_ec 0.6677977E-03 Delta_et -0.3743528E-02 Pxc 0.4257227E+01 Qxc -0.1674064E+01 3,+1 126 3 -1 -0.560772 -2.774094 1.804497 Rho 0.1393901E+00 |GRAD(Rho)| 0.2153482E-15 GRAD(Rho)x -0.1332620E-15 GRAD(Rho)y -0.9232659E-16 GRAD(Rho)z -0.1417459E-15 Laplacian 0.5871231E+00 (-1/4)Del**2(Rho)) -0.1467808E+00 Diamond 0.1089695E+01 Metallicity 0.4398154E+01 Ellipticity 0.8249909E-02 Gb(Abramov) 0.2054479E+00 Vb(Abramov) -0.2641151E+00 Hb(Abramov) -0.5866715E-01 Ex_ueg -0.5337782E-01 Ec_ueg -0.7767824E-02 Delta_ex -0.6193284E-01 Delta_ec 0.1517256E-01 Delta_et -0.1998453E+00 Pxc 0.6871657E+01 Qxc -0.4081898E+01 3,-1 127 3 -1 -0.064539 -3.198458 3.204819 Rho 0.2537230E+00 |GRAD(Rho)| 0.4978890E-10 GRAD(Rho)x -0.9259660E-11 GRAD(Rho)y -0.3459633E-10 GRAD(Rho)z 0.3458738E-10 Laplacian 0.9212062E+00 (-1/4)Del**2(Rho)) -0.2303015E+00 Diamond 0.3469361E+01 Metallicity 0.7606578E+01 Ellipticity 0.1183163E-02 Gb(Abramov) 0.4455021E+00 Vb(Abramov) -0.6607027E+00 Hb(Abramov) -0.2152006E+00 Ex_ueg -0.1186310E+00 Ec_ueg -0.1539290E-01 Delta_ex -0.1128634E+00 Delta_ec 0.1988714E-01 Delta_et -0.2752801E+00 Pxc 0.7706865E+01 Qxc -0.5675193E+01 3,-1 128 3 +1 0.165073 -0.168089 2.885317 Rho 0.5475352E-02 |GRAD(Rho)| 0.1204873E-16 GRAD(Rho)x 0.5949066E-17 GRAD(Rho)y 0.1047391E-16 GRAD(Rho)z 0.2790442E-18 Laplacian 0.2256554E-01 (-1/4)Del**2(Rho)) -0.5641386E-02 Diamond 0.5686966E-03 Metallicity 0.5194225E+00 Ellipticity -0.2760855E+01 Gb(Abramov) 0.4249301E-02 Vb(Abramov) -0.2857216E-02 Hb(Abramov) 0.1392085E-02 Ex_ueg -0.7127455E-03 Ec_ueg -0.1674262E-03 Delta_ex -0.1120609E-02 Delta_ec 0.6725498E-03 Delta_et -0.3768605E-02 Pxc 0.4257074E+01 Qxc -0.1666210E+01 3,+1 129 3 +1 0.183964 2.891350 -0.188287 Rho 0.5354295E-02 |GRAD(Rho)| 0.2859783E-12 GRAD(Rho)x 0.1935328E-12 GRAD(Rho)y 0.8200236E-13 GRAD(Rho)z -0.1939182E-12 Laplacian 0.2224364E-01 (-1/4)Del**2(Rho)) -0.5560911E-02 Diamond 0.5240181E-03 Metallicity 0.5076655E+00 Ellipticity -0.2213392E+01 Gb(Abramov) 0.4177788E-02 Vb(Abramov) -0.2794665E-02 Hb(Abramov) 0.1383123E-02 Ex_ueg -0.6918120E-03 Ec_ueg -0.1621913E-03 Delta_ex -0.1082809E-02 Delta_ec 0.6327617E-03 Delta_et -0.3534897E-02 Pxc 0.4265408E+01 Qxc -0.1711242E+01 3,+1 130 3 -1 -0.066327 3.196759 -3.211893 Rho 0.2431766E+00 |GRAD(Rho)| 0.3076307E-15 GRAD(Rho)x -0.7261444E-16 GRAD(Rho)y 0.9573505E-16 GRAD(Rho)z -0.2831936E-15 Laplacian 0.8631936E+00 (-1/4)Del**2(Rho)) -0.2157984E+00 Diamond 0.3120882E+01 Metallicity 0.7563238E+01 Ellipticity 0.1510615E-03 Gb(Abramov) 0.4158881E+00 Vb(Abramov) -0.6159777E+00 Hb(Abramov) -0.2000896E+00 Ex_ueg -0.1121022E+00 Ec_ueg -0.1465898E-01 Delta_ex -0.1047514E+00 Delta_ec 0.1917457E-01 Delta_et -0.2665236E+00 Pxc 0.7647339E+01 Qxc -0.5463037E+01 3,-1 131 3 +1 2.175698 1.229431 -1.221238 Rho 0.2961249E-01 |GRAD(Rho)| 0.3288645E-16 GRAD(Rho)x -0.3288357E-16 GRAD(Rho)y -0.5220485E-19 GRAD(Rho)z 0.4323342E-18 Laplacian 0.1225125E+00 (-1/4)Del**2(Rho)) -0.3062812E-01 Diamond 0.2213116E-01 Metallicity 0.1594255E+01 Ellipticity -0.9743498E+01 Gb(Abramov) 0.2855691E-01 Vb(Abramov) -0.2648571E-01 Hb(Abramov) 0.2071202E-02 Ex_ueg -0.6766305E-02 Ec_ueg -0.1323636E-02 Delta_ex -0.8138600E-02 Delta_ec 0.2372716E-02 Delta_et -0.2178741E-01 Pxc 0.5111907E+01 Qxc -0.3430078E+01 3,+1 132 3 -1 -0.045955 2.892411 0.045564 Rho 0.5437929E-02 |GRAD(Rho)| 0.4785771E-17 GRAD(Rho)x 0.4762337E-17 GRAD(Rho)y 0.2017551E-18 GRAD(Rho)z -0.4278353E-18 Laplacian 0.2181744E-01 (-1/4)Del**2(Rho)) -0.5454359E-02 Diamond 0.6463128E-03 Metallicity 0.5311273E+00 Ellipticity 0.3728608E+01 Gb(Abramov) 0.4119066E-02 Vb(Abramov) -0.2783773E-02 Hb(Abramov) 0.1335293E-02 Ex_ueg -0.7062575E-03 Ec_ueg -0.1658071E-03 Delta_ex -0.1166263E-02 Delta_ec 0.8007359E-03 Delta_et -0.4414103E-02 Pxc 0.4259514E+01 Qxc -0.1456489E+01 3,-1 133 3 -1 0.064711 3.198032 3.207185 Rho 0.2538160E+00 |GRAD(Rho)| 0.7738541E-15 GRAD(Rho)x -0.2099286E-15 GRAD(Rho)y -0.4981909E-15 GRAD(Rho)z -0.5537020E-15 Laplacian 0.9208414E+00 (-1/4)Del**2(Rho)) -0.2302103E+00 Diamond 0.3470155E+01 Metallicity 0.7614241E+01 Ellipticity 0.1138608E-02 Gb(Abramov) 0.4456197E+00 Vb(Abramov) -0.6610291E+00 Hb(Abramov) -0.2154094E+00 Ex_ueg -0.1186890E+00 Ec_ueg -0.1539940E-01 Delta_ex -0.1128327E+00 Delta_ec 0.1988266E-01 Delta_et -0.2752465E+00 Pxc 0.7707378E+01 Qxc -0.5674929E+01 3,-1 134 3 -1 0.538031 1.731523 -1.742380 Rho 0.4171302E-01 |GRAD(Rho)| 0.2784524E-16 GRAD(Rho)x 0.2620932E-17 GRAD(Rho)y 0.1866056E-16 GRAD(Rho)z -0.2050053E-16 Laplacian 0.1772628E+00 (-1/4)Del**2(Rho)) -0.4431569E-01 Diamond 0.7175721E-01 Metallicity 0.1950361E+01 Ellipticity 0.7964019E-02 Gb(Abramov) 0.4394907E-01 Vb(Abramov) -0.4358244E-01 Hb(Abramov) 0.3666297E-03 Ex_ueg -0.1068433E-01 Ec_ueg -0.1962200E-02 Delta_ex -0.1402775E-01 Delta_ec 0.5437448E-02 Delta_et -0.5467293E-01 Pxc 0.5445076E+01 Qxc -0.2579840E+01 3,-1 135 3 +1 0.531486 -0.534017 -1.655569 Rho 0.9098908E-02 |GRAD(Rho)| 0.7132314E-15 GRAD(Rho)x -0.6232296E-15 GRAD(Rho)y -0.1764330E-15 GRAD(Rho)z 0.2985888E-15 Laplacian 0.3530797E-01 (-1/4)Del**2(Rho)) -0.8826992E-02 Diamond 0.1010578E-02 Metallicity 0.7739672E+00 Ellipticity -0.1464418E+01 Gb(Abramov) 0.7023295E-02 Vb(Abramov) -0.5219598E-02 Hb(Abramov) 0.1803697E-02 Ex_ueg -0.1402935E-02 Ec_ueg -0.3273575E-03 Delta_ex -0.1632152E-02 Delta_ec 0.4895105E-03 Delta_et -0.3400405E-02 Pxc 0.4285634E+01 Qxc -0.3334252E+01 3,+1 136 3 +1 1.663979 -0.541703 -0.524253 Rho 0.9055368E-02 |GRAD(Rho)| 0.7412229E-17 GRAD(Rho)x 0.4471996E-17 GRAD(Rho)y -0.5821059E-17 GRAD(Rho)z 0.1028427E-17 Laplacian 0.3515873E-01 (-1/4)Del**2(Rho)) -0.8789681E-02 Diamond 0.9989946E-03 Metallicity 0.7710636E+00 Ellipticity -0.1460673E+01 Gb(Abramov) 0.6989355E-02 Vb(Abramov) -0.5189028E-02 Hb(Abramov) 0.1800327E-02 Ex_ueg -0.1393991E-02 Ec_ueg -0.3254003E-03 Delta_ex -0.1622951E-02 Delta_ec 0.4868792E-03 Delta_et -0.3378446E-02 Pxc 0.4283926E+01 Qxc -0.3333375E+01 3,+1 137 3 -1 0.472752 -0.471726 0.471207 Rho 0.1871867E+00 |GRAD(Rho)| 0.4212703E-12 GRAD(Rho)x -0.2397943E-12 GRAD(Rho)y 0.2462960E-12 GRAD(Rho)z -0.2435274E-12 Laplacian 0.5201060E+00 (-1/4)Del**2(Rho)) -0.1300265E+00 Diamond 0.1403901E+01 Metallicity 0.8115457E+01 Ellipticity 0.4998252E-03 Gb(Abramov) 0.2625551E+00 Vb(Abramov) -0.3950837E+00 Hb(Abramov) -0.1325286E+00 Ex_ueg -0.7908336E-01 Ec_ueg -0.1086516E-01 Delta_ex -0.5923928E-01 Delta_ec 0.1284588E-01 Delta_et -0.1767601E+00 Pxc 0.7278621E+01 Qxc -0.4611538E+01 3,-1 138 3 +1 1.248222 -1.206334 2.170560 Rho 0.2938252E-01 |GRAD(Rho)| 0.1191407E-13 GRAD(Rho)x 0.3578726E-14 GRAD(Rho)y -0.1017369E-13 GRAD(Rho)z -0.5063004E-14 Laplacian 0.1211829E+00 (-1/4)Del**2(Rho)) -0.3029572E-01 Diamond 0.2167078E-01 Metallicity 0.1590939E+01 Ellipticity -0.9838647E+01 Gb(Abramov) 0.2823026E-01 Vb(Abramov) -0.2616479E-01 Hb(Abramov) 0.2065466E-02 Ex_ueg -0.6696334E-02 Ec_ueg -0.1311801E-02 Delta_ex -0.8034847E-02 Delta_ec 0.2349019E-02 Delta_et -0.2152775E-01 Pxc 0.5104688E+01 Qxc -0.3420512E+01 3,+1 139 3 -1 0.561935 1.800566 2.778228 Rho 0.1406796E+00 |GRAD(Rho)| 0.1275323E-15 GRAD(Rho)x -0.7856400E-16 GRAD(Rho)y 0.1000312E-15 GRAD(Rho)z -0.9269929E-17 Laplacian 0.5927779E+00 (-1/4)Del**2(Rho)) -0.1481945E+00 Diamond 0.1111832E+01 Metallicity 0.4423572E+01 Ellipticity 0.8117002E-02 Gb(Abramov) 0.2080545E+00 Vb(Abramov) -0.2679145E+00 Hb(Abramov) -0.5986001E-01 Ex_ueg -0.5403726E-01 Ec_ueg -0.7849572E-02 Delta_ex -0.6266327E-01 Delta_ec 0.1527281E-01 Delta_et -0.2014209E+00 Pxc 0.6884103E+01 Qxc -0.4102929E+01 3,-1 140 3 -1 0.851483 1.995089 -2.996600 Rho 0.1332739E+00 |GRAD(Rho)| 0.1964455E-15 GRAD(Rho)x 0.3680866E-16 GRAD(Rho)y -0.1906095E-15 GRAD(Rho)z -0.3006628E-16 Laplacian 0.5223988E+00 (-1/4)Del**2(Rho)) -0.1305997E+00 Diamond 0.9105141E+00 Metallicity 0.4586900E+01 Ellipticity 0.5027675E-01 Gb(Abramov) 0.1869078E+00 Vb(Abramov) -0.2432158E+00 Hb(Abramov) -0.5630807E-01 Ex_ueg -0.5027804E-01 Ec_ueg -0.7381559E-02 Delta_ex -0.5441339E-01 Delta_ec 0.1347708E-01 Delta_et -0.1759537E+00 Pxc 0.6811304E+01 Qxc -0.4037475E+01 3,-1 141 3 -1 0.560124 -1.799790 -2.771642 Rho 0.1398821E+00 |GRAD(Rho)| 0.7611119E-13 GRAD(Rho)x -0.4904372E-13 GRAD(Rho)y -0.5731887E-13 GRAD(Rho)z 0.1010807E-13 Laplacian 0.5890292E+00 (-1/4)Del**2(Rho)) -0.1472573E+00 Diamond 0.1097729E+01 Metallicity 0.4409741E+01 Ellipticity 0.8134321E-02 Gb(Abramov) 0.2063993E+00 Vb(Abramov) -0.2655413E+00 Hb(Abramov) -0.5914198E-01 Ex_ueg -0.5362917E-01 Ec_ueg -0.7799000E-02 Delta_ex -0.6218569E-01 Delta_ec 0.1520603E-01 Delta_et -0.2003871E+00 Pxc 0.6876416E+01 Qxc -0.4089542E+01 3,-1 142 3 +1 1.740535 -1.737375 -1.739406 Rho 0.1244732E-01 |GRAD(Rho)| 0.1768142E-14 GRAD(Rho)x 0.1439069E-14 GRAD(Rho)y 0.9503932E-15 GRAD(Rho)z 0.3900757E-15 Laplacian 0.6304927E-01 (-1/4)Del**2(Rho)) -0.1576232E-01 Diamond 0.2636363E-02 Metallicity 0.7306780E+00 Ellipticity -0.1240104E+01 Gb(Abramov) 0.1242774E-01 Vb(Abramov) -0.9093165E-02 Hb(Abramov) 0.3334576E-02 Ex_ueg -0.2130522E-02 Ec_ueg -0.4802579E-03 Delta_ex -0.3123722E-02 Delta_ec 0.8084982E-03 Delta_et -0.6124244E-02 Pxc 0.4436204E+01 Qxc -0.3863610E+01 3,+1 143 3 -1 0.533294 -1.727966 1.730539 Rho 0.4756044E-01 |GRAD(Rho)| 0.2478961E-14 GRAD(Rho)x -0.9027868E-15 GRAD(Rho)y -0.1636139E-14 GRAD(Rho)z 0.1628887E-14 Laplacian 0.1954707E+00 (-1/4)Del**2(Rho)) -0.4886768E-01 Diamond 0.9170715E-01 Metallicity 0.2200938E+01 Ellipticity 0.1120840E-01 Gb(Abramov) 0.5050425E-01 Vb(Abramov) -0.5214081E-01 Hb(Abramov) -0.1636564E-02 Ex_ueg -0.1272661E-01 Ec_ueg -0.2280474E-02 Delta_ex -0.1584868E-01 Delta_ec 0.5755016E-02 Delta_et -0.5987764E-01 Pxc 0.5580687E+01 Qxc -0.2753889E+01 3,-1 144 3 -1 0.855772 -1.987603 2.990993 Rho 0.1429459E+00 |GRAD(Rho)| 0.2234310E-15 GRAD(Rho)x -0.1462995E-15 GRAD(Rho)y -0.1449036E-15 GRAD(Rho)z 0.8672262E-16 Laplacian 0.5632477E+00 (-1/4)Del**2(Rho)) -0.1408119E+00 Diamond 0.1080304E+01 Metallicity 0.4781162E+01 Ellipticity 0.3714788E-01 Gb(Abramov) 0.2060821E+00 Vb(Abramov) -0.2713522E+00 Hb(Abramov) -0.6527012E-01 Ex_ueg -0.5520107E-01 Ec_ueg -0.7993493E-02 Delta_ex -0.5981016E-01 Delta_ec 0.1451954E-01 Delta_et -0.1920793E+00 Pxc 0.6905751E+01 Qxc -0.4119288E+01 3,-1 145 3 -1 0.853133 -2.990152 1.988982 Rho 0.1403444E+00 |GRAD(Rho)| 0.2066925E-15 GRAD(Rho)x 0.1276241E-15 GRAD(Rho)y 0.1609092E-15 GRAD(Rho)z -0.2328324E-16 Laplacian 0.5528199E+00 (-1/4)Del**2(Rho)) -0.1382050E+00 Diamond 0.1037612E+01 Metallicity 0.4724486E+01 Ellipticity 0.3402185E-01 Gb(Abramov) 0.2009612E+00 Vb(Abramov) -0.2637175E+00 Hb(Abramov) -0.6275626E-01 Ex_ueg -0.5386564E-01 Ec_ueg -0.7828311E-02 Delta_ex -0.5844551E-01 Delta_ec 0.1432339E-01 Delta_et -0.1889823E+00 Pxc 0.6880877E+01 Qxc -0.4080425E+01 3,-1 146 3 +3 2.321587 -0.013130 0.008167 Rho 0.4845097E-02 |GRAD(Rho)| 0.5952253E-17 GRAD(Rho)x 0.2051468E-17 GRAD(Rho)y -0.4966459E-17 GRAD(Rho)z -0.2560289E-17 Laplacian 0.1975112E-01 (-1/4)Del**2(Rho)) -0.4937779E-02 Diamond 0.1882435E-03 Metallicity 0.4840151E+00 Ellipticity -0.2968515E+00 Gb(Abramov) 0.3690179E-02 Vb(Abramov) -0.2442580E-02 Hb(Abramov) 0.1247600E-02 Ex_ueg -0.6055105E-03 Ec_ueg -0.1402528E-03 Delta_ex -0.7308141E-03 Delta_ec 0.1840544E-03 Delta_et -0.1167797E-02 Pxc 0.4317280E+01 Qxc -0.3970642E+01 3,+3 147 3 -1 0.479956 0.469359 -0.470613 Rho 0.1891884E+00 |GRAD(Rho)| 0.2533062E-11 GRAD(Rho)x -0.1450208E-11 GRAD(Rho)y -0.1518043E-11 GRAD(Rho)z 0.1417338E-11 Laplacian 0.5281301E+00 (-1/4)Del**2(Rho)) -0.1320325E+00 Diamond 0.1442575E+01 Metallicity 0.8135103E+01 Ellipticity 0.2632688E-02 Gb(Abramov) 0.2670380E+00 Vb(Abramov) -0.4020436E+00 Hb(Abramov) -0.1350055E+00 Ex_ueg -0.8021293E-01 Ec_ueg -0.1099778E-01 Delta_ex -0.6030486E-01 Delta_ec 0.1299040E-01 Delta_et -0.1788962E+00 Pxc 0.7293557E+01 Qxc -0.4642262E+01 3,-1 148 3 +1 1.081658 1.376943 -2.164231 Rho 0.2790392E-01 |GRAD(Rho)| 0.1081501E-13 GRAD(Rho)x 0.4611017E-15 GRAD(Rho)y 0.1010110E-13 GRAD(Rho)z 0.3836609E-14 Laplacian 0.1128467E+00 (-1/4)Del**2(Rho)) -0.2821167E-01 Diamond 0.1720548E-01 Metallicity 0.1567592E+01 Ellipticity -0.3803700E+01 Gb(Abramov) 0.2617851E-01 Vb(Abramov) -0.2414535E-01 Hb(Abramov) 0.2033160E-02 Ex_ueg -0.6250844E-02 Ec_ueg -0.1236005E-02 Delta_ex -0.7231516E-02 Delta_ec 0.1920744E-02 Delta_et -0.1741152E-01 Pxc 0.5057298E+01 Qxc -0.3764955E+01 3,+1 149 3 -1 0.000804 -0.004031 2.891530 Rho 0.5510446E-02 |GRAD(Rho)| 0.1374290E-16 GRAD(Rho)x -0.1041091E-16 GRAD(Rho)y -0.8957658E-17 GRAD(Rho)z -0.4906039E-18 Laplacian 0.2208014E-01 (-1/4)Del**2(Rho)) -0.5520036E-02 Diamond 0.6707438E-03 Metallicity 0.5365241E+00 Ellipticity 0.2945595E+01 Gb(Abramov) 0.4173629E-02 Vb(Abramov) -0.2827223E-02 Hb(Abramov) 0.1346407E-02 Ex_ueg -0.7188430E-03 Ec_ueg -0.1689451E-03 Delta_ex -0.1187199E-02 Delta_ec 0.8175157E-03 Delta_et -0.4522355E-02 Pxc 0.4254892E+01 Qxc -0.1452204E+01 3,-1 150 3 +1 1.067155 2.161590 -1.392392 Rho 0.2775716E-01 |GRAD(Rho)| 0.4486946E-16 GRAD(Rho)x -0.6437374E-17 GRAD(Rho)y 0.4395778E-16 GRAD(Rho)z -0.6288302E-17 Laplacian 0.1117779E+00 (-1/4)Del**2(Rho)) -0.2794448E-01 Diamond 0.1652440E-01 Metallicity 0.1568732E+01 Ellipticity -0.3387629E+01 Gb(Abramov) 0.2593589E-01 Vb(Abramov) -0.2392730E-01 Hb(Abramov) 0.2008593E-02 Ex_ueg -0.6207048E-02 Ec_ueg -0.1228510E-02 Delta_ex -0.7115590E-02 Delta_ec 0.1835973E-02 Delta_et -0.1663219E-01 Pxc 0.5052500E+01 Qxc -0.3875650E+01 3,+1 151 3 +1 1.738111 1.737348 1.742126 Rho 0.1244736E-01 |GRAD(Rho)| 0.4087304E-16 GRAD(Rho)x 0.2323619E-16 GRAD(Rho)y -0.3203967E-16 GRAD(Rho)z 0.1020511E-16 Laplacian 0.6304947E-01 (-1/4)Del**2(Rho)) -0.1576237E-01 Diamond 0.2636412E-02 Metallicity 0.7306802E+00 Ellipticity -0.1240509E+01 Gb(Abramov) 0.1242779E-01 Vb(Abramov) -0.9093205E-02 Hb(Abramov) 0.3334581E-02 Ex_ueg -0.2130533E-02 Ec_ueg -0.4802600E-03 Delta_ex -0.3123743E-02 Delta_ec 0.8085145E-03 Delta_et -0.6124363E-02 Pxc 0.4436206E+01 Qxc -0.3863558E+01 3,+1 152 3 -1 2.890166 -0.005171 0.001889 Rho 0.5540512E-02 |GRAD(Rho)| 0.4361866E-15 GRAD(Rho)x -0.4349902E-15 GRAD(Rho)y -0.3198920E-16 GRAD(Rho)z 0.4349979E-17 Laplacian 0.2217889E-01 (-1/4)Del**2(Rho)) -0.5544723E-02 Diamond 0.6783191E-03 Metallicity 0.5390013E+00 Ellipticity 0.2714753E+01 Gb(Abramov) 0.4194584E-02 Vb(Abramov) -0.2844445E-02 Hb(Abramov) 0.1350139E-02 Ex_ueg -0.7240773E-03 Ec_ueg -0.1702469E-03 Delta_ex -0.1193408E-02 Delta_ec 0.8206390E-03 Delta_et -0.4547339E-02 Pxc 0.4253102E+01 Qxc -0.1454243E+01 3,-1 153 3 -1 0.846712 2.987711 -2.001353 Rho 0.1275748E+00 |GRAD(Rho)| 0.2882508E-15 GRAD(Rho)x 0.1342581E-15 GRAD(Rho)y 0.4753549E-16 GRAD(Rho)z 0.2506066E-15 Laplacian 0.4987213E+00 (-1/4)Del**2(Rho)) -0.1246803E+00 Diamond 0.8250896E+00 Metallicity 0.4467146E+01 Ellipticity 0.4350203E-01 Gb(Abramov) 0.1759478E+00 Vb(Abramov) -0.2272152E+00 Hb(Abramov) -0.5126743E-01 Ex_ueg -0.4743203E-01 Ec_ueg -0.7023839E-02 Delta_ex -0.5140488E-01 Delta_ec 0.1300901E-01 Delta_et -0.1686774E+00 Pxc 0.6753006E+01 Qxc -0.3951483E+01 3,-1 154 3 -1 1.802474 -0.560369 -2.769305 Rho 0.1418203E+00 |GRAD(Rho)| 0.4226212E-12 GRAD(Rho)x 0.3465173E-12 GRAD(Rho)y 0.2267498E-12 GRAD(Rho)z 0.8437390E-13 Laplacian 0.5981495E+00 (-1/4)Del**2(Rho)) -0.1495374E+00 Diamond 0.1132780E+01 Metallicity 0.4443249E+01 Ellipticity 0.7815791E-02 Gb(Abramov) 0.2104302E+00 Vb(Abramov) -0.2713231E+00 Hb(Abramov) -0.6089284E-01 Ex_ueg -0.5462224E-01 Ec_ueg -0.7921968E-02 Delta_ex -0.6335507E-01 Delta_ec 0.1537963E-01 Delta_et -0.2030714E+00 Pxc 0.6895034E+01 Qxc -0.4119414E+01 3,-1 155 3 +1 2.169430 -1.222482 1.234800 Rho 0.2920161E-01 |GRAD(Rho)| 0.7139148E-16 GRAD(Rho)x -0.6691032E-16 GRAD(Rho)y 0.2475866E-16 GRAD(Rho)z -0.2600106E-17 Laplacian 0.1202043E+00 (-1/4)Del**2(Rho)) -0.3005108E-01 Diamond 0.2130788E-01 Metallicity 0.1587466E+01 Ellipticity -0.9689913E+01 Gb(Abramov) 0.2798490E-01 Vb(Abramov) -0.2591872E-01 Hb(Abramov) 0.2066184E-02 Ex_ueg -0.6641417E-02 Ec_ueg -0.1302499E-02 Delta_ex -0.7956419E-02 Delta_ec 0.2329069E-02 Delta_et -0.2131214E-01 Pxc 0.5098980E+01 Qxc -0.3416137E+01 3,+1 156 3 -1 1.727992 -0.534369 1.727390 Rho 0.4709721E-01 |GRAD(Rho)| 0.1565692E-15 GRAD(Rho)x -0.9317151E-16 GRAD(Rho)y -0.7023512E-16 GRAD(Rho)z -0.1044032E-15 Laplacian 0.1930009E+00 (-1/4)Del**2(Rho)) -0.4825022E-01 Diamond 0.8923949E-01 Metallicity 0.2193037E+01 Ellipticity 0.1085685E-01 Gb(Abramov) 0.4980256E-01 Vb(Abramov) -0.5135490E-01 Hb(Abramov) -0.1552343E-02 Ex_ueg -0.1256161E-01 Ec_ueg -0.2255058E-02 Delta_ex -0.1560474E-01 Delta_ec 0.5673391E-02 Delta_et -0.5887473E-01 Pxc 0.5570416E+01 Qxc -0.2750514E+01 3,-1 157 3 +1 2.885278 -0.173434 0.169833 Rho 0.5501612E-02 |GRAD(Rho)| 0.1655523E-15 GRAD(Rho)x 0.9250685E-17 GRAD(Rho)y -0.1162296E-15 GRAD(Rho)z 0.1175274E-15 Laplacian 0.2268876E-01 (-1/4)Del**2(Rho)) -0.5672191E-02 Diamond 0.5712143E-03 Metallicity 0.5207377E+00 Ellipticity -0.2671626E+01 Gb(Abramov) 0.4273748E-02 Vb(Abramov) -0.2875305E-02 Hb(Abramov) 0.1398443E-02 Ex_ueg -0.7173070E-03 Ec_ueg -0.1685627E-03 Delta_ex -0.1124304E-02 Delta_ec 0.6699743E-03 Delta_et -0.3762167E-02 Pxc 0.4255431E+01 Qxc -0.1678130E+01 3,+1 158 3 +1 2.881256 0.170527 -0.173273 Rho 0.5497071E-02 |GRAD(Rho)| 0.2295603E-16 GRAD(Rho)x 0.1576097E-17 GRAD(Rho)y 0.9580035E-17 GRAD(Rho)z -0.2080188E-16 Laplacian 0.2266969E-01 (-1/4)Del**2(Rho)) -0.5667422E-02 Diamond 0.5637685E-03 Metallicity 0.5204590E+00 Ellipticity -0.2564282E+01 Gb(Abramov) 0.4269891E-02 Vb(Abramov) -0.2872361E-02 Hb(Abramov) 0.1397530E-02 Ex_ueg -0.7165176E-03 Ec_ueg -0.1683661E-03 Delta_ex -0.1117992E-02 Delta_ec 0.6601602E-03 Delta_et -0.3710088E-02 Pxc 0.4255711E+01 Qxc -0.1693516E+01 3,+1 159 3 -1 2.990415 -1.992090 0.857714 Rho 0.1426369E+00 |GRAD(Rho)| 0.2008755E-14 GRAD(Rho)x -0.8256200E-15 GRAD(Rho)y -0.1197569E-14 GRAD(Rho)z -0.1385380E-14 Laplacian 0.5621838E+00 (-1/4)Del**2(Rho)) -0.1405459E+00 Diamond 0.1075747E+01 Metallicity 0.4772964E+01 Ellipticity 0.3601418E-01 Gb(Abramov) 0.2055008E+00 Vb(Abramov) -0.2704556E+00 Hb(Abramov) -0.6495481E-01 Ex_ueg -0.5504202E-01 Ec_ueg -0.7973850E-02 Delta_ex -0.5966868E-01 Delta_ec 0.1450515E-01 Delta_et -0.1918389E+00 Pxc 0.6902816E+01 Qxc -0.4113619E+01 3,-1 160 3 -1 1.986597 -2.993774 0.856803 Rho 0.1427096E+00 |GRAD(Rho)| 0.2172303E-12 GRAD(Rho)x 0.1244818E-12 GRAD(Rho)y 0.7069725E-13 GRAD(Rho)z -0.1633866E-12 Laplacian 0.5624655E+00 (-1/4)Del**2(Rho)) -0.1406164E+00 Diamond 0.1076665E+01 Metallicity 0.4774626E+01 Ellipticity 0.3662742E-01 Gb(Abramov) 0.2056427E+00 Vb(Abramov) -0.2706690E+00 Hb(Abramov) -0.6502631E-01 Ex_ueg -0.5507942E-01 Ec_ueg -0.7978470E-02 Delta_ex -0.5970302E-01 Delta_ec 0.1450530E-01 Delta_et -0.1918440E+00 Pxc 0.6903507E+01 Qxc -0.4115945E+01 3,-1 161 3 -1 1.992851 0.854252 -2.987873 Rho 0.1398437E+00 |GRAD(Rho)| 0.2416452E-15 GRAD(Rho)x 0.6635317E-16 GRAD(Rho)y 0.1761829E-15 GRAD(Rho)z -0.1514901E-15 Laplacian 0.5492459E+00 (-1/4)Del**2(Rho)) -0.1373115E+00 Diamond 0.1028215E+01 Metallicity 0.4726986E+01 Ellipticity 0.3475175E-01 Gb(Abramov) 0.1997192E+00 Vb(Abramov) -0.2621270E+00 Hb(Abramov) -0.6240775E-01 Ex_ueg -0.5360954E-01 Ec_ueg -0.7796566E-02 Delta_ex -0.5803607E-01 Delta_ec 0.1427692E-01 Delta_et -0.1883370E+00 Pxc 0.6876045E+01 Qxc -0.4065029E+01 3,-1 162 3 -1 1.728736 1.726584 -0.534491 Rho 0.4814285E-01 |GRAD(Rho)| 0.7703214E-16 GRAD(Rho)x 0.1313706E-16 GRAD(Rho)y 0.7560489E-16 GRAD(Rho)z -0.6728194E-17 Laplacian 0.1978712E+00 (-1/4)Del**2(Rho)) -0.4946780E-01 Diamond 0.9448454E-01 Metallicity 0.2218794E+01 Ellipticity 0.1089718E-01 Gb(Abramov) 0.5127168E-01 Vb(Abramov) -0.5307555E-01 Hb(Abramov) -0.1803873E-02 Ex_ueg -0.1293483E-01 Ec_ueg -0.2312478E-02 Delta_ex -0.1609714E-01 Delta_ec 0.5833421E-02 Delta_et -0.6088936E-01 Pxc 0.5593495E+01 Qxc -0.2759468E+01 3,-1 163 3 -1 1.727384 -1.731513 0.537785 Rho 0.4704967E-01 |GRAD(Rho)| 0.7386912E-16 GRAD(Rho)x 0.5948035E-16 GRAD(Rho)y -0.4342907E-16 GRAD(Rho)z 0.5714084E-17 Laplacian 0.1929901E+00 (-1/4)Del**2(Rho)) -0.4824752E-01 Diamond 0.8910536E-01 Metallicity 0.2189471E+01 Ellipticity 0.1120135E-01 Gb(Abramov) 0.4977111E-01 Vb(Abramov) -0.5129469E-01 Hb(Abramov) -0.1523583E-02 Ex_ueg -0.1254471E-01 Ec_ueg -0.2252451E-02 Delta_ex -0.1559960E-01 Delta_ec 0.5672559E-02 Delta_et -0.5885035E-01 Pxc 0.5569357E+01 Qxc -0.2750011E+01 3,-1 164 3 -1 1.989505 -0.854108 2.987390 Rho 0.1397746E+00 |GRAD(Rho)| 0.4403225E-15 GRAD(Rho)x 0.1548105E-15 GRAD(Rho)y 0.4117393E-15 GRAD(Rho)z -0.1970537E-16 Laplacian 0.5504660E+00 (-1/4)Del**2(Rho)) -0.1376165E+00 Diamond 0.1028017E+01 Metallicity 0.4712627E+01 Ellipticity 0.3356925E-01 Gb(Abramov) 0.1998335E+00 Vb(Abramov) -0.2620506E+00 Hb(Abramov) -0.6221703E-01 Ex_ueg -0.5357424E-01 Ec_ueg -0.7792189E-02 Delta_ex -0.5813754E-01 Delta_ec 0.1427379E-01 Delta_et -0.1882061E+00 Pxc 0.6875378E+01 Qxc -0.4073028E+01 3,-1 165 3 -1 1.984647 2.994385 -0.856734 Rho 0.1456977E+00 |GRAD(Rho)| 0.7508624E-13 GRAD(Rho)x -0.5054018E-13 GRAD(Rho)y 0.5231360E-13 GRAD(Rho)z 0.1862582E-13 Laplacian 0.5727811E+00 (-1/4)Del**2(Rho)) -0.1431953E+00 Diamond 0.1125361E+01 Metallicity 0.4853394E+01 Ellipticity 0.4081236E-01 Gb(Abramov) 0.2112940E+00 Vb(Abramov) -0.2793928E+00 Hb(Abramov) -0.6809875E-01 Ex_ueg -0.5662244E-01 Ec_ueg -0.8168674E-02 Delta_ex -0.6112019E-01 Delta_ec 0.1472082E-01 Delta_et -0.1953409E+00 Pxc 0.6931655E+01 Qxc -0.4151956E+01 3,-1 166 3 -1 1.733383 0.529044 -1.722371 Rho 0.4823041E-01 |GRAD(Rho)| 0.6375086E-14 GRAD(Rho)x 0.4239633E-14 GRAD(Rho)y -0.2136484E-14 GRAD(Rho)z -0.4254723E-14 Laplacian 0.1980753E+00 (-1/4)Del**2(Rho)) -0.4951882E-01 Diamond 0.9483748E-01 Metallicity 0.2223230E+01 Ellipticity 0.1114248E-01 Gb(Abramov) 0.5136117E-01 Vb(Abramov) -0.5320352E-01 Hb(Abramov) -0.1842350E-02 Ex_ueg -0.1296621E-01 Ec_ueg -0.2317293E-02 Delta_ex -0.1612209E-01 Delta_ec 0.5841096E-02 Delta_et -0.6099894E-01 Pxc 0.5595411E+01 Qxc -0.2760113E+01 3,-1 167 3 -1 1.804094 0.561450 2.774594 Rho 0.1412220E+00 |GRAD(Rho)| 0.9222193E-13 GRAD(Rho)x 0.6924900E-13 GRAD(Rho)y -0.5914454E-13 GRAD(Rho)z -0.1453903E-13 Laplacian 0.5950445E+00 (-1/4)Del**2(Rho)) -0.1487611E+00 Diamond 0.1121507E+01 Metallicity 0.4435072E+01 Ellipticity 0.8262803E-02 Gb(Abramov) 0.2091352E+00 Vb(Abramov) -0.2695092E+00 Hb(Abramov) -0.6037402E-01 Ex_ueg -0.5431519E-01 Ec_ueg -0.7883982E-02 Delta_ex -0.6296464E-01 Delta_ec 0.1532170E-01 Delta_et -0.2021921E+00 Pxc 0.6889310E+01 Qxc -0.4109508E+01 3,-1 168 3 -1 2.775681 -1.807592 -0.558055 Rho 0.1397938E+00 |GRAD(Rho)| 0.1855554E-15 GRAD(Rho)x 0.3785898E-16 GRAD(Rho)y 0.1097077E-15 GRAD(Rho)z -0.1447816E-15 Laplacian 0.5888127E+00 (-1/4)Del**2(Rho)) -0.1472032E+00 Diamond 0.1096351E+01 Metallicity 0.4406726E+01 Ellipticity 0.8754282E-02 Gb(Abramov) 0.2062495E+00 Vb(Abramov) -0.2652958E+00 Hb(Abramov) -0.5904629E-01 Ex_ueg -0.5358408E-01 Ec_ueg -0.7793409E-02 Delta_ex -0.6215173E-01 Delta_ec 0.1519998E-01 Delta_et -0.2002825E+00 Pxc 0.6875564E+01 Qxc -0.4088934E+01 3,-1 169 3 -1 2.986664 1.991202 -0.857148 Rho 0.1410077E+00 |GRAD(Rho)| 0.1472656E-15 GRAD(Rho)x 0.8692591E-16 GRAD(Rho)y -0.2450297E-16 GRAD(Rho)z 0.1163213E-15 Laplacian 0.5553632E+00 (-1/4)Del**2(Rho)) -0.1388408E+00 Diamond 0.1048973E+01 Metallicity 0.4739954E+01 Ellipticity 0.3494213E-01 Gb(Abramov) 0.2022437E+00 Vb(Abramov) -0.2656466E+00 Hb(Abramov) -0.6340289E-01 Ex_ueg -0.5420535E-01 Ec_ueg -0.7870385E-02 Delta_ex -0.5878903E-01 Delta_ec 0.1438564E-01 Delta_et -0.1899658E+00 Pxc 0.6887255E+01 Qxc -0.4086646E+01 3,-1 170 3 -1 2.767903 1.803929 0.557963 Rho 0.1377684E+00 |GRAD(Rho)| 0.9067092E-14 GRAD(Rho)x -0.1166459E-14 GRAD(Rho)y 0.6694054E-14 GRAD(Rho)z -0.6003431E-14 Laplacian 0.5806130E+00 (-1/4)Del**2(Rho)) -0.1451532E+00 Diamond 0.1062598E+01 Metallicity 0.4361563E+01 Ellipticity 0.8041679E-02 Gb(Abramov) 0.2022847E+00 Vb(Abramov) -0.2594161E+00 Hb(Abramov) -0.5713143E-01 Ex_ueg -0.5255141E-01 Ec_ueg -0.7665171E-02 Delta_ex -0.6107240E-01 Delta_ec 0.1504763E-01 Delta_et -0.1978479E+00 Pxc 0.6855869E+01 Qxc -0.4058605E+01 3,-1 171 3 -1 0.561243 2.771773 1.808381 Rho 0.1413540E+00 |GRAD(Rho)| 0.2594301E-15 GRAD(Rho)x 0.2178569E-15 GRAD(Rho)y 0.4103705E-16 GRAD(Rho)z -0.1347528E-15 Laplacian 0.5959944E+00 (-1/4)Del**2(Rho)) -0.1489986E+00 Diamond 0.1124709E+01 Metallicity 0.4434905E+01 Ellipticity 0.7876035E-02 Gb(Abramov) 0.2094648E+00 Vb(Abramov) -0.2699311E+00 Hb(Abramov) -0.6046624E-01 Ex_ueg -0.5438290E-01 Ec_ueg -0.7892361E-02 Delta_ex -0.6308115E-01 Delta_ec 0.1534556E-01 Delta_et -0.2025413E+00 Pxc 0.6890574E+01 Qxc -0.4110711E+01 3,-1 172 3 -1 2.776121 -0.565686 -1.798661 Rho 0.1418699E+00 |GRAD(Rho)| 0.1952760E-15 GRAD(Rho)x 0.5988184E-16 GRAD(Rho)y -0.1305650E-15 GRAD(Rho)z 0.1322862E-15 Laplacian 0.5984282E+00 (-1/4)Del**2(Rho)) -0.1496071E+00 Diamond 0.1133653E+01 Metallicity 0.4443769E+01 Ellipticity 0.7912689E-02 Gb(Abramov) 0.2105412E+00 Vb(Abramov) -0.2714754E+00 Hb(Abramov) -0.6093418E-01 Ex_ueg -0.5464772E-01 Ec_ueg -0.7925118E-02 Delta_ex -0.6338860E-01 Delta_ec 0.1538298E-01 Delta_et -0.2031209E+00 Pxc 0.6895508E+01 Qxc -0.4120696E+01 3,-1 173 3 -1 2.990634 -0.855691 1.987016 Rho 0.1406121E+00 |GRAD(Rho)| 0.1245314E-12 GRAD(Rho)x 0.2766126E-13 GRAD(Rho)y -0.9564304E-13 GRAD(Rho)z -0.7480191E-13 Laplacian 0.5543287E+00 (-1/4)Del**2(Rho)) -0.1385822E+00 Diamond 0.1042740E+01 Metallicity 0.4726616E+01 Ellipticity 0.3458522E-01 Gb(Abramov) 0.2015589E+00 Vb(Abramov) -0.2645356E+00 Hb(Abramov) -0.6297672E-01 Ex_ueg -0.5400268E-01 Ec_ueg -0.7845288E-02 Delta_ex -0.5863124E-01 Delta_ec 0.1435410E-01 Delta_et -0.1894385E+00 Pxc 0.6883454E+01 Qxc -0.4084634E+01 3,-1 174 3 -1 3.201869 -0.067243 -3.195236 Rho 0.2533935E+00 |GRAD(Rho)| 0.5529729E-12 GRAD(Rho)x -0.3837716E-12 GRAD(Rho)y 0.1051676E-12 GRAD(Rho)z 0.3839768E-12 Laplacian 0.9219218E+00 (-1/4)Del**2(Rho)) -0.2304805E+00 Diamond 0.3466139E+01 Metallicity 0.7584232E+01 Ellipticity 0.1196599E-02 Gb(Abramov) 0.4449899E+00 Vb(Abramov) -0.6594993E+00 Hb(Abramov) -0.2145094E+00 Ex_ueg -0.1184257E+00 Ec_ueg -0.1536988E-01 Delta_ex -0.1129100E+00 Delta_ec 0.1990618E-01 Delta_et -0.2755174E+00 Pxc 0.7705047E+01 Qxc -0.5672110E+01 3,-1 175 3 -1 3.203909 0.066343 3.197649 Rho 0.2537504E+00 |GRAD(Rho)| 0.2566698E-15 GRAD(Rho)x 0.2532696E-15 GRAD(Rho)y 0.1328148E-16 GRAD(Rho)z -0.3946496E-16 Laplacian 0.9205835E+00 (-1/4)Del**2(Rho)) -0.2301459E+00 Diamond 0.3468113E+01 Metallicity 0.7613094E+01 Ellipticity 0.1203416E-02 Gb(Abramov) 0.4454509E+00 Vb(Abramov) -0.6607560E+00 Hb(Abramov) -0.2153051E+00 Ex_ueg -0.1186481E+00 Ec_ueg -0.1539481E-01 Delta_ex -0.1127935E+00 Delta_ec 0.1987875E-01 Delta_et -0.2751916E+00 Pxc 0.7707016E+01 Qxc -0.5674073E+01 3,-1 176 3 -1 3.200616 -3.206766 -0.059414 Rho 0.2538554E+00 |GRAD(Rho)| 0.9586342E-14 GRAD(Rho)x -0.8051285E-15 GRAD(Rho)y -0.7468635E-14 GRAD(Rho)z 0.5955604E-14 Laplacian 0.9209628E+00 (-1/4)Del**2(Rho)) -0.2302407E+00 Diamond 0.3471258E+01 Metallicity 0.7615206E+01 Ellipticity 0.1152613E-02 Gb(Abramov) 0.4457156E+00 Vb(Abramov) -0.6611904E+00 Hb(Abramov) -0.2154748E+00 Ex_ueg -0.1187135E+00 Ec_ueg -0.1540215E-01 Delta_ex -0.1128522E+00 Delta_ec 0.1988431E-01 Delta_et -0.2752698E+00 Pxc 0.7707595E+01 Qxc -0.5675438E+01 3,-1 177 3 -1 3.193553 3.204643 0.060855 Rho 0.2533723E+00 |GRAD(Rho)| 0.7994984E-15 GRAD(Rho)x -0.5791808E-15 GRAD(Rho)y -0.4881078E-15 GRAD(Rho)z -0.2559259E-15 Laplacian 0.9217900E+00 (-1/4)Del**2(Rho)) -0.2304475E+00 Diamond 0.3465402E+01 Metallicity 0.7584258E+01 Ellipticity 0.1323435E-02 Gb(Abramov) 0.4449272E+00 Vb(Abramov) -0.6594069E+00 Hb(Abramov) -0.2144797E+00 Ex_ueg -0.1184124E+00 Ec_ueg -0.1536840E-01 Delta_ex -0.1128919E+00 Delta_ec 0.1990480E-01 Delta_et -0.2755025E+00 Pxc 0.7704930E+01 Qxc -0.5671592E+01 3,-1 178 3 -1 -1.987109 -2.989330 -0.853483 Rho 0.1404368E+00 |GRAD(Rho)| 0.2900902E-15 GRAD(Rho)x -0.1201974E-15 GRAD(Rho)y 0.2256225E-15 GRAD(Rho)z 0.1371109E-15 Laplacian 0.5536059E+00 (-1/4)Del**2(Rho)) -0.1384015E+00 Diamond 0.1039799E+01 Metallicity 0.4722958E+01 Ellipticity 0.3404369E-01 Gb(Abramov) 0.2012117E+00 Vb(Abramov) -0.2640219E+00 Hb(Abramov) -0.6281023E-01 Ex_ueg -0.5391294E-01 Ec_ueg -0.7834171E-02 Delta_ex -0.5853679E-01 Delta_ec 0.1433932E-01 Delta_et -0.1892069E+00 Pxc 0.6881767E+01 Qxc -0.4082256E+01 3,-1 179 3 -1 -1.806254 -0.560910 2.771051 Rho 0.1394868E+00 |GRAD(Rho)| 0.1110373E-15 GRAD(Rho)x 0.6793882E-16 GRAD(Rho)y 0.7882150E-16 GRAD(Rho)z 0.3873990E-16 Laplacian 0.5880544E+00 (-1/4)Del**2(Rho)) -0.1470136E+00 Diamond 0.1092160E+01 Metallicity 0.4396271E+01 Ellipticity 0.8402028E-02 Gb(Abramov) 0.2057277E+00 Vb(Abramov) -0.2644417E+00 Hb(Abramov) -0.5871406E-01 Ex_ueg -0.5342724E-01 Ec_ueg -0.7773955E-02 Delta_ex -0.6203966E-01 Delta_ec 0.1519066E-01 Delta_et -0.2000976E+00 Pxc 0.6872594E+01 Qxc -0.4084066E+01 3,-1 180 3 -1 -0.854448 2.988216 1.993723 Rho 0.1417326E+00 |GRAD(Rho)| 0.1619868E-13 GRAD(Rho)x -0.1169366E-13 GRAD(Rho)y 0.6581243E-14 GRAD(Rho)z -0.9074284E-14 Laplacian 0.5587360E+00 (-1/4)Del**2(Rho)) -0.1396840E+00 Diamond 0.1060975E+01 Metallicity 0.4751775E+01 Ellipticity 0.3534582E-01 Gb(Abramov) 0.2037472E+00 Vb(Abramov) -0.2678103E+00 Hb(Abramov) -0.6406316E-01 Ex_ueg -0.5457720E-01 Ec_ueg -0.7916397E-02 Delta_ex -0.5921044E-01 Delta_ec 0.1443790E-01 Delta_et -0.1907669E+00 Pxc 0.6894196E+01 Qxc -0.4101043E+01 3,-1 181 3 -1 -0.467758 -0.469126 -0.471258 Rho 0.1873994E+00 |GRAD(Rho)| 0.1503693E-13 GRAD(Rho)x 0.8788109E-14 GRAD(Rho)y 0.8760354E-14 GRAD(Rho)z 0.8493206E-14 Laplacian 0.5205286E+00 (-1/4)Del**2(Rho)) -0.1301321E+00 Diamond 0.1407548E+01 Metallicity 0.8124228E+01 Ellipticity 0.2909918E-04 Gb(Abramov) 0.2629586E+00 Vb(Abramov) -0.3957851E+00 Hb(Abramov) -0.1328265E+00 Ex_ueg -0.7920316E-01 Ec_ueg -0.1087923E-01 Delta_ex -0.5930870E-01 Delta_ec 0.1286027E-01 Delta_et -0.1770033E+00 Pxc 0.7280215E+01 Qxc -0.4611777E+01 3,-1 182 3 -1 1.804222 -2.774497 -0.560088 Rho 0.1398942E+00 |GRAD(Rho)| 0.2646219E-15 GRAD(Rho)x -0.1926627E-15 GRAD(Rho)y 0.2133845E-16 GRAD(Rho)z -0.1801402E-15 Laplacian 0.5896695E+00 (-1/4)Del**2(Rho)) -0.1474174E+00 Diamond 0.1098999E+01 Metallicity 0.4405589E+01 Ellipticity 0.8409155E-02 Gb(Abramov) 0.2065216E+00 Vb(Abramov) -0.2656259E+00 Hb(Abramov) -0.5910426E-01 Ex_ueg -0.5363537E-01 Ec_ueg -0.7799769E-02 Delta_ex -0.6225419E-01 Delta_ec 0.1522150E-01 Delta_et -0.2005920E+00 Pxc 0.6876534E+01 Qxc -0.4089886E+01 3,-1 183 3 -1 1.798952 2.774552 0.562329 Rho 0.1406054E+00 |GRAD(Rho)| 0.2358127E-15 GRAD(Rho)x -0.2354209E-15 GRAD(Rho)y -0.8151845E-17 GRAD(Rho)z -0.1086913E-16 Laplacian 0.5932528E+00 (-1/4)Del**2(Rho)) -0.1483132E+00 Diamond 0.1112456E+01 Metallicity 0.4416144E+01 Ellipticity 0.8421399E-02 Gb(Abramov) 0.2080375E+00 Vb(Abramov) -0.2677619E+00 Hb(Abramov) -0.5972435E-01 Ex_ueg -0.5399924E-01 Ec_ueg -0.7844862E-02 Delta_ex -0.6271017E-01 Delta_ec 0.1529553E-01 Delta_et -0.2017224E+00 Pxc 0.6883389E+01 Qxc -0.4099901E+01 3,-1 184 3 -1 2.772859 0.561953 1.800609 Rho 0.1432642E+00 |GRAD(Rho)| 0.1250258E-15 GRAD(Rho)x 0.2061339E-16 GRAD(Rho)y -0.1211596E-16 GRAD(Rho)z -0.1227181E-15 Laplacian 0.6035768E+00 (-1/4)Del**2(Rho)) -0.1508942E+00 Diamond 0.1155951E+01 Metallicity 0.4478266E+01 Ellipticity 0.8466295E-02 Gb(Abramov) 0.2132202E+00 Vb(Abramov) -0.2755462E+00 Hb(Abramov) -0.6232600E-01 Ex_ueg -0.5536498E-01 Ec_ueg -0.8013727E-02 Delta_ex -0.6407657E-01 Delta_ec 0.1545991E-01 Delta_et -0.2043919E+00 Pxc 0.6908768E+01 Qxc -0.4144692E+01 3,-1 185 3 -1 2.990761 0.854746 -1.985168 Rho 0.1414186E+00 |GRAD(Rho)| 0.4870776E-14 GRAD(Rho)x -0.1502569E-14 GRAD(Rho)y -0.3684512E-14 GRAD(Rho)z -0.2809114E-14 Laplacian 0.5576290E+00 (-1/4)Del**2(Rho)) -0.1394072E+00 Diamond 0.1056466E+01 Metallicity 0.4743643E+01 Ellipticity 0.3638523E-01 Gb(Abramov) 0.2031545E+00 Vb(Abramov) -0.2669018E+00 Hb(Abramov) -0.6374729E-01 Ex_ueg -0.5441606E-01 Ec_ueg -0.7896464E-02 Delta_ex -0.5906563E-01 Delta_ec 0.1442499E-01 Delta_et -0.1905496E+00 Pxc 0.6891193E+01 Qxc -0.4094675E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 143 82 126 144 145 127 115 141 122 114 111 123 134 112 118 140 153 130 92 139 171 113 180 133 163 168 182 159 160 176 162 170 183 169 165 177 65 74 58 75 91 64 88 73 98 59 178 55 107 71 94 62 77 67 93 70 179 72 96 69 156 184 167 173 164 175 166 172 154 185 161 174 137 181 147 119 57 152 86 149 132 124 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 18 21 22 25 26 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 20 23 24 27 28 2.387298 1.932896 1.940561 1.942721 1.950025 1.722851 2.391393 1.939183 1.933769 1.948663 1.943359 1.722746 2.421400 1.937352 1.954786 1.946974 1.964994 1.711932 2.391701 1.936879 1.934948 1.946674 1.946022 1.722722 2.392322 1.939437 1.939030 1.943504 1.943314 1.722662 2.381818 1.945204 1.936872 1.948261 1.935749 1.723321 2.392810 1.938273 1.924066 1.955036 1.947174 1.723102 2.394366 1.932567 1.932073 1.950244 1.949686 1.722661 2.393195 1.936315 1.939633 1.942657 1.944859 1.722905 2.394589 1.938733 1.940204 1.939670 1.945374 1.722655 2.392154 1.929818 1.935387 1.949148 1.951739 1.722830 2.381205 1.933539 1.933644 1.947013 1.952175 1.723296 1.695017 1.694527 1.690467 1.694452 3.260403 3.253864 3.260741 3.256375 3.260383 3.256141 2.389013 1.933303 1.940963 1.943405 1.950713 1.722855 2.393115 1.939586 1.934177 1.949355 1.944041 1.722749 2.422964 1.937886 1.955315 1.947815 1.965848 1.711947 2.393424 1.937288 1.935306 1.947363 1.946670 1.722728 2.394041 1.939842 1.939390 1.944187 1.944002 1.722665 2.383579 1.945566 1.937234 1.948901 1.936420 1.723326 2.394529 1.938660 1.924516 1.955725 1.947860 1.723107 2.396103 1.932972 1.932484 1.950935 1.950343 1.722667 2.394932 1.936717 1.940070 1.943336 1.945545 1.722908 2.396330 1.939140 1.940563 1.940358 1.946058 1.722659 2.393862 1.930178 1.935791 1.949800 1.952430 1.722833 2.382957 1.933899 1.934051 1.947663 1.952847 1.723299 1.695019 1.694527 1.690470 1.694454 3.269363 3.262789 3.271035 3.265178 3.272018 3.264960 30 28 27 29 27 21 30 27 27 27 27 22 31 28 28 26 27 23 31 28 23 27 23 25 30 27 23 28 28 20 31 23 23 23 27 22 30 27 27 26 28 22 30 27 27 27 23 25 30 27 27 27 28 23 30 27 23 27 28 22 31 23 28 23 27 23 30 23 28 23 26 20 23 23 23 24 35 35 35 35 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W W Mo W W W W W W 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 O O O O O O O O O O O O O O O O O As 2.5345 2.5347 2.3973 2.5346 2.5357 2.5208 2.5307 2.5355 2.5305 2.5350 2.5358 2.5216 -1.1418 -1.1412 -1.1381 -1.1411 -0.9497 -0.9500 -0.9477 -0.9503 -0.9493 -0.9499 -0.9161 -0.9502 -0.9178 -0.9497 -0.9494 -0.9503 -0.9440 -0.9445 -0.9409 -0.9444 -0.9442 -0.9047 -0.9439 -0.9436 -0.9443 -0.9442 -0.9437 -0.9062 -0.7321 -0.7317 -0.6516 -0.7316 -0.7318 -0.7321 -0.7326 -0.7318 -0.7318 -0.7317 -0.7323 -0.7320 2.5978 2.0784 2.0784 1.9502 2.0781 2.0776 2.0803 2.0768 2.0781 2.0768 2.0783 2.0778 2.0802 1.9352 1.9356 1.9374 1.9356 1.9341 1.9343 1.9348 1.9342 1.9344 1.9342 1.9387 1.9341 1.9383 1.9342 1.9343 1.9341 1.9479 1.9479 1.9492 1.9479 1.9479 1.9506 1.9478 1.9478 1.9479 1.9479 1.9479 1.9502 1.9753 1.9753 1.9874 1.9753 1.9754 1.9753 1.9751 1.9755 1.9752 1.9754 1.9754 1.9753 0.7961 6.0756 6.0751 6.0447 6.0751 6.0750 6.0809 6.0745 6.0753 6.0744 6.0753 6.0752 6.0808 5.1661 5.1651 5.1602 5.1651 4.9853 4.9855 4.9827 4.9860 4.9847 4.9854 4.9493 4.9858 4.9513 4.9852 4.9849 4.9860 4.9632 4.9637 4.9589 4.9638 4.9636 4.9235 4.9632 4.9629 4.9636 4.9635 4.9630 4.9255 4.7182 4.7178 4.6276 4.7177 4.7177 4.7183 4.7189 4.7177 4.7180 4.7177 4.7183 4.7181 1.0626 3.2826 3.2830 3.6077 3.2834 3.2828 3.2891 3.2891 3.2822 3.2894 3.2825 3.2824 3.2885 0.0405 0.0404 0.0405 0.0404 0.0303 0.0302 0.0302 0.0301 0.0302 0.0303 0.0281 0.0302 0.0282 0.0303 0.0303 0.0302 0.0329 0.0328 0.0328 0.0327 0.0328 0.0305 0.0329 0.0328 0.0328 0.0329 0.0328 0.0305 0.0386 0.0386 0.0367 0.0386 0.0386 0.0386 0.0386 0.0386 0.0386 0.0386 0.0386 0.0386 10.5435 14.0289 14.0289 0.0000 14.0289 14.0289 14.0289 14.0288 14.0289 14.0288 14.0289 14.0289 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 W W Mo W W W W W W 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 O O O O O O O O O O O O O O O O O As 2.524619 2.524394 3.181625 2.524490 2.524261 2.523786 2.522518 2.524295 2.522902 2.524424 2.523880 2.523762 -1.100977 -1.100450 -1.136286 -1.100370 -0.940305 -0.940570 -0.937885 -0.941365 -0.940564 -0.940515 -1.052972 -0.940653 -1.049377 -0.940415 -0.940204 -0.940620 -0.908424 -0.908547 -0.905371 -0.908910 -0.908630 -1.015837 -0.908401 -0.908314 -0.908526 -0.908503 -0.908333 -1.011887 -0.755264 -0.755003 -0.917826 -0.754845 -0.754664 -0.755069 -0.755803 -0.754803 -0.754891 -0.754792 -0.755337 -0.754902 2.331456 1.947495 1.947635 2.372367 1.947605 1.947660 1.951351 1.952276 1.947520 1.952290 1.947698 1.947239 1.950805 -0.770770 -0.772757 -0.822718 -0.772629 -0.704764 -0.703719 -0.702777 -0.705151 -0.704298 -0.704495 -0.803675 -0.705168 -0.805575 -0.705436 -0.703191 -0.704654 -0.739513 -0.738960 -0.736036 -0.740170 -0.740518 -0.822640 -0.739184 -0.736508 -0.739705 -0.736083 -0.739934 -0.823343 -0.639126 -0.638644 -0.674436 -0.638601 -0.638333 -0.634472 -0.637086 -0.638471 -0.636331 -0.638512 -0.639034 -0.634451 1.699927 2.045427 2.044734 2.453848 2.044869 2.045300 2.048265 2.050334 2.045307 2.050690 2.045406 2.044841 2.048057 -0.820337 -0.822004 -0.856559 -0.821965 -0.782298 -0.782198 -0.782750 -0.783669 -0.781824 -0.782371 -0.881069 -0.783289 -0.880917 -0.782727 -0.781218 -0.783099 -0.772079 -0.771606 -0.773680 -0.772726 -0.773013 -0.858038 -0.771914 -0.767192 -0.772581 -0.767202 -0.772093 -0.857340 -0.607101 -0.606694 -0.635336 -0.606464 -0.606269 -0.599205 -0.605196 -0.606304 -0.604173 -0.606481 -0.606994 -0.598700 1.659600 -0.08975578 0.79468178 -0.88682577 1.19416715 -2.70158045 -0.21868909 0.21686407 1.24625689 -3.80626142 1.45532356 -412.5852 415.7619 -64.1860 -387.3444 -10.2882 -458.6419 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:17 Nodes: 1 Procs: 1 Jun10-2024 15:28:22 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:06 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.78044933 -16.84547536 -16.84966932 -16.85163134 -16.85218471 -16.85331143 -16.85354703 -16.85387815 -16.85409942 -16.85435239 -16.85450228 -16.85461043 -16.85466160 -16.85474304 -16.85476913 -16.85477824 GEOMETRY CONVERGED