ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 06:42:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 0.02 0.40 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 May05-2024 06:42:16 Nodes: 1 Procs: 1 May05-2024 06:42:16 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 06:42:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.04 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 May05-2024 06:42:16 Nodes: 1 Procs: 1 May05-2024 06:42:16 Nodes: 1 Procs: 1 0 May05-2024 06:42:16 Nodes: 1 Procs: 1 May05-2024 06:42:17 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 06:42:18 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.04 1.42 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 407.2741 82466.5953 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 May05-2024 06:42:16 Nodes: 1 Procs: 1 May05-2024 06:42:16 Nodes: 1 Procs: 1 0 May05-2024 06:42:16 Nodes: 1 Procs: 1 May05-2024 06:42:17 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May05-2024 06:42:18 Nodes: 1 Procs: 1 May05-2024 06:42:19 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 06:42:20 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 0.51 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 May05-2024 06:42:16 Nodes: 1 Procs: 1 May05-2024 06:42:16 Nodes: 1 Procs: 1 0 May05-2024 06:42:16 Nodes: 1 Procs: 1 May05-2024 06:42:17 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May05-2024 06:42:18 Nodes: 1 Procs: 1 May05-2024 06:42:19 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 May05-2024 06:42:20 Nodes: 1 Procs: 1 May05-2024 06:42:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 06:42:21 Hydrogen (TZP) kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.04 1.41 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 May05-2024 06:42:16 Nodes: 1 Procs: 1 May05-2024 06:42:16 Nodes: 1 Procs: 1 0 May05-2024 06:42:16 Nodes: 1 Procs: 1 May05-2024 06:42:17 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May05-2024 06:42:18 Nodes: 1 Procs: 1 May05-2024 06:42:19 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 May05-2024 06:42:20 Nodes: 1 Procs: 1 May05-2024 06:42:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May05-2024 06:42:21 Nodes: 1 Procs: 1 May05-2024 06:42:22 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 06:42:24 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2223.7291609999997 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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 May05-2024 06:42:22 1 1 Tungsten TZP 4d t21.O ADF 2019 May05-2024 06:42:20 1 1 Oxygen TZP 1s t21.Ta ADF 2019 May05-2024 06:42:19 1 1 Tantalum TZP 4d t21.P ADF 2019 May05-2024 06:42:17 1 1 Phosphorus TZP 1s t21.H ADF 2019 May05-2024 06:42:16 1 1 Hydrogen TZP 1 1 -14.43117059 0.23120546 0.00100000 F 0.09500749 0.00066667 F 0.23120546 0.09500749 0.26525291 0.01000000 F 0.05281810 0.00666667 F Cartesian 2223.7291609999997 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-0.1547921E+01 Gb(Abramov) 0.4770347E-02 Vb(Abramov) -0.3343148E-02 Hb(Abramov) 0.1427198E-02 Ex_ueg -0.8833657E-03 Ec_ueg -0.2090297E-03 Delta_ex -0.1111094E-02 Delta_ec 0.4521153E-03 Delta_et -0.2775702E-02 Pxc 0.4226030E+01 Qxc -0.2457546E+01 3,+1 48 3 -1 -1.486755 2.587344 1.752568 Rho 0.2084458E+00 |GRAD(Rho)| 0.1968774E-15 GRAD(Rho)x 0.1256048E-15 GRAD(Rho)y -0.1515715E-15 GRAD(Rho)z 0.3198396E-17 Laplacian 0.8122197E+00 (-1/4)Del**2(Rho)) -0.2030549E+00 Diamond 0.2406071E+01 Metallicity 0.6217200E+01 Ellipticity 0.1852496E-01 Gb(Abramov) 0.3457755E+00 Vb(Abramov) -0.4884960E+00 Hb(Abramov) -0.1427205E+00 Ex_ueg -0.9128006E-01 Ec_ueg -0.1228520E-01 Delta_ex -0.9449514E-01 Delta_ec 0.1847214E-01 Delta_et -0.2532168E+00 Pxc 0.7430084E+01 Qxc -0.5115548E+01 3,-1 49 3 -1 -1.442059 2.611830 -1.827344 Rho 0.1230775E+00 |GRAD(Rho)| 0.4734778E-15 GRAD(Rho)x 0.3887949E-15 GRAD(Rho)y 0.2699934E-15 GRAD(Rho)z 0.1110375E-16 Laplacian 0.4866484E+00 (-1/4)Del**2(Rho)) -0.1216621E+00 Diamond 0.8084327E+00 Metallicity 0.4312169E+01 Ellipticity 0.1066657E+00 Gb(Abramov) 0.1685460E+00 Vb(Abramov) -0.2154299E+00 Hb(Abramov) -0.4688389E-01 Ex_ueg -0.4521578E-01 Ec_ueg -0.6743085E-02 Delta_ex -0.5021318E-01 Delta_ec 0.1366659E-01 Delta_et -0.1776509E+00 Pxc 0.6705504E+01 Qxc -0.3674156E+01 3,-1 50 3 +1 -1.282224 1.201047 -2.657603 Rho 0.1231076E-01 |GRAD(Rho)| 0.2437306E-16 GRAD(Rho)x -0.1338990E-16 GRAD(Rho)y -0.1942247E-16 GRAD(Rho)z -0.6125742E-17 Laplacian 0.5498248E-01 (-1/4)Del**2(Rho)) -0.1374562E-01 Diamond 0.2256313E-02 Metallicity 0.8226154E+00 Ellipticity -0.1375405E+01 Gb(Abramov) 0.1104831E-01 Vb(Abramov) -0.8350992E-02 Hb(Abramov) 0.2697314E-02 Ex_ueg -0.2099414E-02 Ec_ueg -0.4739336E-03 Delta_ex -0.2713822E-02 Delta_ec 0.7009675E-03 Delta_et -0.5298646E-02 Pxc 0.4429764E+01 Qxc -0.3871537E+01 3,+1 51 3 -1 -0.822244 3.491811 0.799401 Rho 0.1485574E+00 |GRAD(Rho)| 0.1359034E-14 GRAD(Rho)x -0.4900357E-15 GRAD(Rho)y -0.6739536E-15 GRAD(Rho)z 0.1073604E-14 Laplacian 0.5776675E+00 (-1/4)Del**2(Rho)) -0.1444169E+00 Diamond 0.1163797E+01 Metallicity 0.4970792E+01 Ellipticity 0.2416969E-01 Gb(Abramov) 0.2159223E+00 Vb(Abramov) -0.2874277E+00 Hb(Abramov) -0.7150540E-01 Ex_ueg -0.5810908E-01 Ec_ueg -0.8351229E-02 Delta_ex -0.6195618E-01 Delta_ec 0.1481199E-01 Delta_et -0.1971834E+00 Pxc 0.6958147E+01 Qxc -0.4182840E+01 3,-1 52 3 -1 -2.047625 1.191719 2.285152 Rho 0.4628302E-01 |GRAD(Rho)| 0.4215184E-16 GRAD(Rho)x 0.9729277E-18 GRAD(Rho)y 0.2266109E-16 GRAD(Rho)z -0.3552894E-16 Laplacian 0.1277297E+00 (-1/4)Del**2(Rho)) -0.3193243E-01 Diamond 0.8896086E-01 Metallicity 0.3218776E+01 Ellipticity 0.7849108E-02 Gb(Abramov) 0.3841885E-01 Vb(Abramov) -0.4490526E-01 Hb(Abramov) -0.6486412E-02 Ex_ueg -0.1227290E-01 Ec_ueg -0.2210467E-02 Delta_ex -0.1177690E-01 Delta_ec 0.6423814E-02 Delta_et -0.6695548E-01 Pxc 0.5552177E+01 Qxc -0.1833319E+01 3,-1 53 3 -1 -0.765365 3.520471 -0.824262 Rho 0.1179659E+00 |GRAD(Rho)| 0.2357630E-09 GRAD(Rho)x -0.5573201E-10 GRAD(Rho)y 0.8875517E-10 GRAD(Rho)z 0.2111887E-09 Laplacian 0.4896761E+00 (-1/4)Del**2(Rho)) -0.1224190E+00 Diamond 0.7686977E+00 Metallicity 0.3992992E+01 Ellipticity 0.1964984E-01 Gb(Abramov) 0.1630824E+00 Vb(Abramov) -0.2037457E+00 Hb(Abramov) -0.4066336E-01 Ex_ueg -0.4272943E-01 Ec_ueg -0.6425667E-02 Delta_ex -0.4996385E-01 Delta_ec 0.1377980E-01 Delta_et -0.1775723E+00 Pxc 0.6649805E+01 Qxc -0.3625877E+01 3,-1 54 3 +3 -0.911107 0.729134 1.595987 Rho 0.4540222E-02 |GRAD(Rho)| 0.4408504E-17 GRAD(Rho)x -0.1907611E-17 GRAD(Rho)y 0.3933568E-17 GRAD(Rho)z 0.5683062E-18 Laplacian 0.1825347E-01 (-1/4)Del**2(Rho)) -0.4563368E-02 Diamond 0.1404385E-03 Metallicity 0.4699621E+00 Ellipticity -0.2796659E+00 Gb(Abramov) 0.3399680E-02 Vb(Abramov) -0.2235993E-02 Hb(Abramov) 0.1163688E-02 Ex_ueg -0.5552491E-03 Ec_ueg -0.1271807E-03 Delta_ex -0.6443755E-03 Delta_ec 0.1345810E-03 Delta_et -0.8896615E-03 Pxc 0.4365830E+01 Qxc -0.4788013E+01 3,+3 55 3 +1 0.573364 -1.751365 -0.004304 Rho 0.8988990E-02 |GRAD(Rho)| 0.1687714E-16 GRAD(Rho)x -0.1499160E-16 GRAD(Rho)y 0.9163093E-19 GRAD(Rho)z -0.7751207E-17 Laplacian 0.3841245E-01 (-1/4)Del**2(Rho)) -0.9603114E-02 Diamond 0.1117345E-02 Metallicity 0.6971495E+00 Ellipticity -0.1388590E+01 Gb(Abramov) 0.7517877E-02 Vb(Abramov) -0.5432640E-02 Hb(Abramov) 0.2085237E-02 Ex_ueg -0.1380383E-02 Ec_ueg -0.3224180E-03 Delta_ex -0.1785454E-02 Delta_ec 0.5598449E-03 Delta_et -0.3854749E-02 Pxc 0.4281346E+01 Qxc -0.3189193E+01 3,+1 56 3 +1 0.654027 2.479714 0.712401 Rho 0.2416273E-01 |GRAD(Rho)| 0.2827053E-16 GRAD(Rho)x -0.2598300E-16 GRAD(Rho)y -0.7594251E-18 GRAD(Rho)z 0.1111441E-16 Laplacian 0.9467412E-01 (-1/4)Del**2(Rho)) -0.2366853E-01 Diamond 0.1237304E-01 Metallicity 0.1469914E+01 Ellipticity -0.4554610E+01 Gb(Abramov) 0.2157747E-01 Vb(Abramov) -0.1948641E-01 Hb(Abramov) 0.2091061E-02 Ex_ueg -0.5159168E-02 Ec_ueg -0.1046652E-02 Delta_ex -0.5898352E-02 Delta_ec 0.1719754E-02 Delta_et -0.1502536E-01 Pxc 0.4929211E+01 Qxc -0.3429766E+01 3,+1 57 3 +3 -0.939494 0.733809 -1.643531 Rho 0.4191190E-02 |GRAD(Rho)| 0.2760240E-16 GRAD(Rho)x 0.6057980E-17 GRAD(Rho)y 0.2687127E-16 GRAD(Rho)z 0.1768605E-17 Laplacian 0.1593774E-01 (-1/4)Del**2(Rho)) -0.3984434E-02 Diamond 0.1039985E-03 Metallicity 0.4710665E+00 Ellipticity -0.3594943E+00 Gb(Abramov) 0.2969111E-02 Vb(Abramov) -0.1953789E-02 Hb(Abramov) 0.1015322E-02 Ex_ueg -0.4990778E-03 Ec_ueg -0.1122742E-03 Delta_ex -0.5439245E-03 Delta_ec 0.1049463E-03 Delta_et -0.7034664E-03 Pxc 0.4445169E+01 Qxc -0.5182886E+01 3,+3 58 3 +1 -1.405635 1.125102 0.867204 Rho 0.6945366E-02 |GRAD(Rho)| 0.7461725E-15 GRAD(Rho)x 0.6072353E-15 GRAD(Rho)y -0.7576312E-16 GRAD(Rho)z -0.4269645E-15 Laplacian 0.2709912E-01 (-1/4)Del**2(Rho)) -0.6774780E-02 Diamond 0.7278082E-03 Metallicity 0.6429097E+00 Ellipticity -0.1827445E+01 Gb(Abramov) 0.5242448E-02 Vb(Abramov) -0.3710117E-02 Hb(Abramov) 0.1532331E-02 Ex_ueg -0.9786903E-03 Ec_ueg -0.2315671E-03 Delta_ex -0.1284622E-02 Delta_ec 0.5798509E-03 Delta_et -0.3579493E-02 Pxc 0.4226379E+01 Qxc -0.2215435E+01 3,+1 59 3 +1 -1.220267 1.310514 2.581804 Rho 0.1504571E-01 |GRAD(Rho)| 0.3330913E-17 GRAD(Rho)x -0.3104773E-17 GRAD(Rho)y -0.7847264E-18 GRAD(Rho)z -0.9162779E-18 Laplacian 0.7019768E-01 (-1/4)Del**2(Rho)) -0.1754942E-01 Diamond 0.3880515E-02 Metallicity 0.9001435E+00 Ellipticity -0.1432473E+01 Gb(Abramov) 0.1433245E-01 Vb(Abramov) -0.1111547E-01 Hb(Abramov) 0.3216974E-02 Ex_ueg -0.2743272E-02 Ec_ueg -0.6019341E-03 Delta_ex -0.3673665E-02 Delta_ec 0.9274413E-03 Delta_et -0.7334286E-02 Pxc 0.4557428E+01 Qxc -0.3961076E+01 3,+1 60 3 +1 0.123464 0.936028 -1.618085 Rho 0.7398828E-02 |GRAD(Rho)| 0.5884226E-15 GRAD(Rho)x -0.1592655E-15 GRAD(Rho)y 0.5606653E-15 GRAD(Rho)z -0.8080885E-16 Laplacian 0.2951338E-01 (-1/4)Del**2(Rho)) -0.7378345E-02 Diamond 0.6590719E-03 Metallicity 0.6559425E+00 Ellipticity -0.1387566E+01 Gb(Abramov) 0.5725525E-02 Vb(Abramov) -0.4072705E-02 Hb(Abramov) 0.1652820E-02 Ex_ueg -0.1064802E-02 Ec_ueg -0.2515612E-03 Delta_ex -0.1306799E-02 Delta_ec 0.4305706E-03 Delta_et -0.2817806E-02 Pxc 0.4232776E+01 Qxc -0.3035039E+01 3,+1 61 3 +1 1.433824 0.681149 -0.848932 Rho 0.7289637E-02 |GRAD(Rho)| 0.3363828E-15 GRAD(Rho)x -0.2860222E-15 GRAD(Rho)y -0.1759406E-15 GRAD(Rho)z 0.1973867E-16 Laplacian 0.3002354E-01 (-1/4)Del**2(Rho)) -0.7505885E-02 Diamond 0.6741738E-03 Metallicity 0.6290151E+00 Ellipticity -0.1378031E+01 Gb(Abramov) 0.5790809E-02 Vb(Abramov) -0.4075733E-02 Hb(Abramov) 0.1715076E-02 Ex_ueg -0.1043902E-02 Ec_ueg -0.2467379E-03 Delta_ex -0.1334116E-02 Delta_ec 0.4551848E-03 Delta_et -0.2953240E-02 Pxc 0.4230811E+01 Qxc -0.2930933E+01 3,+1 62 3 -1 0.119960 -1.124977 -3.569097 Rho 0.1311137E+00 |GRAD(Rho)| 0.8198834E-16 GRAD(Rho)x -0.3953950E-16 GRAD(Rho)y 0.2145365E-16 GRAD(Rho)z 0.6854529E-16 Laplacian 0.5184193E+00 (-1/4)Del**2(Rho)) -0.1296048E+00 Diamond 0.8999575E+00 Metallicity 0.4497922E+01 Ellipticity 0.3416962E-01 Gb(Abramov) 0.1835619E+00 Vb(Abramov) -0.2375191E+00 Hb(Abramov) -0.5395712E-01 Ex_ueg -0.4919440E-01 Ec_ueg -0.7245714E-02 Delta_ex -0.5395175E-01 Delta_ec 0.1372406E-01 Delta_et -0.1792861E+00 Pxc 0.6789448E+01 Qxc -0.3931180E+01 3,-1 63 3 +1 0.331301 -1.214282 -2.458402 Rho 0.2497006E-01 |GRAD(Rho)| 0.4460647E-15 GRAD(Rho)x -0.9699656E-16 GRAD(Rho)y 0.3604778E-15 GRAD(Rho)z -0.2441745E-15 Laplacian 0.9621043E-01 (-1/4)Del**2(Rho)) -0.2405261E-01 Diamond 0.1264584E-01 Metallicity 0.1527884E+01 Ellipticity -0.4071013E+01 Gb(Abramov) 0.2216000E-01 Vb(Abramov) -0.2026740E-01 Hb(Abramov) 0.1892604E-02 Ex_ueg -0.5390279E-02 Ec_ueg -0.1087207E-02 Delta_ex -0.5990917E-02 Delta_ec 0.1648800E-02 Delta_et -0.1454624E-01 Pxc 0.4957914E+01 Qxc -0.3633500E+01 3,+1 64 3 +1 -1.090341 -1.626146 0.823630 Rho 0.6329022E-02 |GRAD(Rho)| 0.1160873E-16 GRAD(Rho)x -0.5722105E-18 GRAD(Rho)y -0.1057169E-16 GRAD(Rho)z 0.4761781E-17 Laplacian 0.2486364E-01 (-1/4)Del**2(Rho)) -0.6215909E-02 Diamond 0.7400049E-03 Metallicity 0.6001726E+00 Ellipticity -0.3042132E+01 Gb(Abramov) 0.4765709E-02 Vb(Abramov) -0.3315509E-02 Hb(Abramov) 0.1450200E-02 Ex_ueg -0.8646370E-03 Ec_ueg -0.2045468E-03 Delta_ex -0.1256661E-02 Delta_ec 0.7149177E-03 Delta_et -0.4193261E-02 Pxc 0.4227086E+01 Qxc -0.1757770E+01 3,+1 65 3 +1 0.332309 -1.321049 2.387802 Rho 0.2478662E-01 |GRAD(Rho)| 0.4454232E-16 GRAD(Rho)x 0.1337352E-16 GRAD(Rho)y 0.3253623E-16 GRAD(Rho)z -0.2732327E-16 Laplacian 0.9714484E-01 (-1/4)Del**2(Rho)) -0.2428621E-01 Diamond 0.1323392E-01 Metallicity 0.1494705E+01 Ellipticity -0.5024577E+01 Gb(Abramov) 0.2224093E-01 Vb(Abramov) -0.2019565E-01 Hb(Abramov) 0.2045282E-02 Ex_ueg -0.5337544E-02 Ec_ueg -0.1077977E-02 Delta_ex -0.6102495E-02 Delta_ec 0.1781355E-02 Delta_et -0.1565978E-01 Pxc 0.4951446E+01 Qxc -0.3425760E+01 3,+1 66 3 -1 0.130544 -1.079061 3.583429 Rho 0.1550277E+00 |GRAD(Rho)| 0.3345802E-15 GRAD(Rho)x 0.3988890E-17 GRAD(Rho)y 0.3251251E-15 GRAD(Rho)z 0.7887740E-16 Laplacian 0.6154474E+00 (-1/4)Del**2(Rho)) -0.1538618E+00 Diamond 0.1297870E+01 Metallicity 0.5009233E+01 Ellipticity 0.6054399E-01 Gb(Abramov) 0.2310295E+00 Vb(Abramov) -0.3081972E+00 Hb(Abramov) -0.7716769E-01 Ex_ueg -0.6150790E-01 Ec_ueg -0.8766134E-02 Delta_ex -0.6663500E-01 Delta_ec 0.1549226E-01 Delta_et -0.2071729E+00 Pxc 0.7016537E+01 Qxc -0.4301180E+01 3,-1 67 3 +1 1.181363 -0.376491 -2.407772 Rho 0.2216878E-01 |GRAD(Rho)| 0.3042433E-16 GRAD(Rho)x 0.2206597E-16 GRAD(Rho)y 0.3304787E-17 GRAD(Rho)z -0.2068359E-16 Laplacian 0.8545377E-01 (-1/4)Del**2(Rho)) -0.2136344E-01 Diamond 0.1002882E-01 Metallicity 0.1410755E+01 Ellipticity -0.4384116E+01 Gb(Abramov) 0.1926539E-01 Vb(Abramov) -0.1716734E-01 Hb(Abramov) 0.2098051E-02 Ex_ueg -0.4599466E-02 Ec_ueg -0.9472510E-03 Delta_ex -0.5218387E-02 Delta_ec 0.1576621E-02 Delta_et -0.1347090E-01 Pxc 0.4855594E+01 Qxc -0.3309855E+01 3,+1 68 3 +3 1.713638 -1.661471 -0.014802 Rho 0.3800768E-02 |GRAD(Rho)| 0.3731306E-17 GRAD(Rho)x -0.4402737E-18 GRAD(Rho)y 0.1292202E-17 GRAD(Rho)z 0.3472609E-17 Laplacian 0.1566050E-01 (-1/4)Del**2(Rho)) -0.3915126E-02 Diamond 0.1143961E-03 Metallicity 0.4073112E+00 Ellipticity -0.1305349E+00 Gb(Abramov) 0.2875863E-02 Vb(Abramov) -0.1836600E-02 Hb(Abramov) 0.1039263E-02 Ex_ueg -0.4380734E-03 Ec_ueg -0.9567571E-04 Delta_ex -0.5542310E-03 Delta_ec 0.1626793E-03 Delta_et -0.9498943E-03 Pxc 0.4578731E+01 Qxc -0.3406893E+01 3,+3 69 3 -1 0.488311 -1.825018 1.533052 Rho 0.4649891E-01 |GRAD(Rho)| 0.4829001E-16 GRAD(Rho)x 0.9283746E-18 GRAD(Rho)y 0.4645637E-16 GRAD(Rho)z -0.1314796E-16 Laplacian 0.1744735E+00 (-1/4)Del**2(Rho)) -0.4361836E-01 Diamond 0.7966116E-01 Metallicity 0.2374771E+01 Ellipticity 0.2614107E-01 Gb(Abramov) 0.4634284E-01 Vb(Abramov) -0.4906733E-01 Hb(Abramov) -0.2724482E-02 Ex_ueg -0.1234929E-01 Ec_ueg -0.2222280E-02 Delta_ex -0.1407947E-01 Delta_ec 0.5161353E-02 Delta_et -0.5338881E-01 Pxc 0.5557036E+01 Qxc -0.2727865E+01 3,-1 70 3 +1 1.498848 -1.457020 -2.901936 Rho 0.1228223E-01 |GRAD(Rho)| 0.2162657E-16 GRAD(Rho)x 0.1237393E-16 GRAD(Rho)y 0.1702245E-16 GRAD(Rho)z -0.4983031E-17 Laplacian 0.5745369E-01 (-1/4)Del**2(Rho)) -0.1436342E-01 Diamond 0.2079272E-02 Metallicity 0.7841951E+00 Ellipticity -0.1215608E+01 Gb(Abramov) 0.1145290E-01 Vb(Abramov) -0.8542382E-02 Hb(Abramov) 0.2910520E-02 Ex_ueg -0.2092931E-02 Ec_ueg -0.4726135E-03 Delta_ex -0.2758142E-02 Delta_ec 0.5969406E-03 Delta_et -0.4614473E-02 Pxc 0.4428419E+01 Qxc -0.4620464E+01 3,+1 71 3 -1 0.254610 -0.389258 -2.427430 Rho 0.3723854E-01 |GRAD(Rho)| 0.6528450E-14 GRAD(Rho)x 0.1585768E-14 GRAD(Rho)y -0.5502407E-14 GRAD(Rho)z -0.3135206E-14 Laplacian 0.1358194E+00 (-1/4)Del**2(Rho)) -0.3395485E-01 Diamond 0.4505254E-01 Metallicity 0.2106877E+01 Ellipticity 0.1578502E-01 Gb(Abramov) 0.3455968E-01 Vb(Abramov) -0.3516451E-01 Hb(Abramov) -0.6048307E-03 Ex_ueg -0.9184213E-02 Ec_ueg -0.1722679E-02 Delta_ex -0.1032016E-01 Delta_ec 0.3933121E-02 Delta_et -0.3833014E-01 Pxc 0.5331356E+01 Qxc -0.2623912E+01 3,-1 72 3 -1 0.119169 -0.322254 -0.518132 Rho 0.1807447E+00 |GRAD(Rho)| 0.2638931E-15 GRAD(Rho)x -0.3427145E-16 GRAD(Rho)y 0.1562663E-15 GRAD(Rho)z -0.2098712E-15 Laplacian 0.4999325E+00 (-1/4)Del**2(Rho)) -0.1249831E+00 Diamond 0.1414683E+01 Metallicity 0.7964243E+01 Ellipticity 0.2671158E-02 Gb(Abramov) 0.2492214E+00 Vb(Abramov) -0.3734597E+00 Hb(Abramov) -0.1242383E+00 Ex_ueg -0.7547548E-01 Ec_ueg -0.1043988E-01 Delta_ex -0.5738188E-01 Delta_ec 0.1413697E-01 Delta_et -0.1986595E+00 Pxc 0.7229533E+01 Qxc -0.4058994E+01 3,-1 73 3 +1 -1.245608 -0.197545 -1.665234 Rho 0.6220585E-02 |GRAD(Rho)| 0.6838871E-17 GRAD(Rho)x -0.5559077E-17 GRAD(Rho)y 0.1550070E-17 GRAD(Rho)z -0.3669347E-17 Laplacian 0.2389512E-01 (-1/4)Del**2(Rho)) -0.5973779E-02 Diamond 0.5943033E-03 Metallicity 0.6067681E+00 Ellipticity -0.2015157E+01 Gb(Abramov) 0.4586636E-02 Vb(Abramov) -0.3199492E-02 Hb(Abramov) 0.1387143E-02 Ex_ueg -0.8449416E-03 Ec_ueg -0.1998119E-03 Delta_ex -0.1133679E-02 Delta_ec 0.5625414E-03 Delta_et -0.3336148E-02 Pxc 0.4228685E+01 Qxc -0.2015281E+01 3,+1 74 3 +1 -1.142478 -0.143006 1.627023 Rho 0.6702604E-02 |GRAD(Rho)| 0.9187655E-17 GRAD(Rho)x 0.7618995E-17 GRAD(Rho)y -0.2192757E-18 GRAD(Rho)z -0.5129896E-17 Laplacian 0.2708931E-01 (-1/4)Del**2(Rho)) -0.6772326E-02 Diamond 0.6845139E-03 Metallicity 0.6061143E+00 Ellipticity -0.1675217E+01 Gb(Abramov) 0.5199018E-02 Vb(Abramov) -0.3625710E-02 Hb(Abramov) 0.1573308E-02 Ex_ueg -0.9333470E-03 Ec_ueg -0.2209029E-03 Delta_ex -0.1268299E-02 Delta_ec 0.5697030E-03 Delta_et -0.3487218E-02 Pxc 0.4225146E+01 Qxc -0.2226246E+01 3,+1 75 3 -1 0.122710 -0.317848 0.512296 Rho 0.1815067E+00 |GRAD(Rho)| 0.6356449E-11 GRAD(Rho)x -0.6163326E-11 GRAD(Rho)y -0.9415372E-13 GRAD(Rho)z -0.1552093E-11 Laplacian 0.5107464E+00 (-1/4)Del**2(Rho)) -0.1276866E+00 Diamond 0.1449312E+01 Metallicity 0.7850473E+01 Ellipticity 0.6570715E-02 Gb(Abramov) 0.2521911E+00 Vb(Abramov) -0.3766956E+00 Hb(Abramov) -0.1245045E+00 Ex_ueg -0.7590006E-01 Ec_ueg -0.1049007E-01 Delta_ex -0.5865792E-01 Delta_ec 0.1438248E-01 Delta_et -0.2021170E+00 Pxc 0.7235422E+01 Qxc -0.4078428E+01 3,-1 76 3 -1 0.341483 -0.370144 2.424114 Rho 0.3811825E-01 |GRAD(Rho)| 0.9826348E-13 GRAD(Rho)x -0.1856832E-13 GRAD(Rho)y 0.2377336E-13 GRAD(Rho)z 0.9351875E-13 Laplacian 0.1412801E+00 (-1/4)Del**2(Rho)) -0.3532002E-01 Diamond 0.4804878E-01 Metallicity 0.2105816E+01 Ellipticity 0.2317645E-01 Gb(Abramov) 0.3594292E-01 Vb(Abramov) -0.3656583E-01 Hb(Abramov) -0.6229059E-03 Ex_ueg -0.9474631E-02 Ec_ueg -0.1769475E-02 Delta_ex -0.1077721E-01 Delta_ec 0.4054462E-02 Delta_et -0.3975914E-01 Pxc 0.5354486E+01 Qxc -0.2658111E+01 3,-1 77 3 +1 0.150706 0.909337 1.585326 Rho 0.8166962E-02 |GRAD(Rho)| 0.7192517E-15 GRAD(Rho)x -0.1450848E-15 GRAD(Rho)y 0.6679110E-15 GRAD(Rho)z 0.2239828E-15 Laplacian 0.3410080E-01 (-1/4)Del**2(Rho)) -0.8525200E-02 Diamond 0.8746567E-03 Metallicity 0.6692928E+00 Ellipticity -0.1381160E+01 Gb(Abramov) 0.6634443E-02 Vb(Abramov) -0.4743685E-02 Hb(Abramov) 0.1890758E-02 Ex_ueg -0.1214691E-02 Ec_ueg -0.2856466E-03 Delta_ex -0.1549297E-02 Delta_ec 0.5006250E-03 Delta_et -0.3359384E-02 Pxc 0.4252425E+01 Qxc -0.3094724E+01 3,+1 78 3 -1 1.061665 -0.096358 -3.526778 Rho 0.9998051E-01 |GRAD(Rho)| 0.4135008E-14 GRAD(Rho)x -0.3999676E-14 GRAD(Rho)y 0.2050481E-15 GRAD(Rho)z -0.1028998E-14 Laplacian 0.4016666E+00 (-1/4)Del**2(Rho)) -0.1004166E+00 Diamond 0.4967762E+00 Metallicity 0.3694931E+01 Ellipticity 0.5692922E-02 Gb(Abramov) 0.1287832E+00 Vb(Abramov) -0.1571497E+00 Hb(Abramov) -0.2836655E-01 Ex_ueg -0.3427195E-01 Ec_ueg -0.5323871E-02 Delta_ex -0.3909605E-01 Delta_ec 0.1111943E-01 Delta_et -0.1380210E+00 Pxc 0.6437412E+01 Qxc -0.3516013E+01 3,-1 79 3 -1 0.695791 -3.166262 -0.874142 Rho 0.1356414E+00 |GRAD(Rho)| 0.3661701E-15 GRAD(Rho)x 0.5253637E-16 GRAD(Rho)y -0.7358345E-16 GRAD(Rho)z 0.3548323E-15 Laplacian 0.5619221E+00 (-1/4)Del**2(Rho)) -0.1404805E+00 Diamond 0.1016817E+01 Metallicity 0.4391276E+01 Ellipticity 0.5677014E-02 Gb(Abramov) 0.1964685E+00 Vb(Abramov) -0.2524564E+00 Hb(Abramov) -0.5598796E-01 Ex_ueg -0.5147243E-01 Ec_ueg -0.7530792E-02 Delta_ex -0.5896866E-01 Delta_ec 0.1477010E-01 Delta_et -0.1940343E+00 Pxc 0.6834929E+01 Qxc -0.3992435E+01 3,-1 80 3 +1 -0.985270 -3.134968 -0.021207 Rho 0.6051808E-02 |GRAD(Rho)| 0.2957887E-15 GRAD(Rho)x -0.2124311E-15 GRAD(Rho)y -0.6482059E-16 GRAD(Rho)z 0.1953517E-15 Laplacian 0.2567405E-01 (-1/4)Del**2(Rho)) -0.6418513E-02 Diamond 0.7698300E-03 Metallicity 0.5394203E+00 Ellipticity -0.2861792E+01 Gb(Abramov) 0.4856055E-02 Vb(Abramov) -0.3293597E-02 Hb(Abramov) 0.1562458E-02 Ex_ueg -0.8145141E-03 Ec_ueg -0.1924535E-03 Delta_ex -0.1322066E-02 Delta_ec 0.8030611E-03 Delta_et -0.4620263E-02 Pxc 0.4232265E+01 Qxc -0.1646283E+01 3,+1 81 3 -1 -1.166289 -3.132600 -0.022759 Rho 0.6086980E-02 |GRAD(Rho)| 0.5754836E-15 GRAD(Rho)x 0.5750050E-15 GRAD(Rho)y -0.1349827E-16 GRAD(Rho)z 0.1919505E-16 Laplacian 0.2413962E-01 (-1/4)Del**2(Rho)) -0.6034904E-02 Diamond 0.9006154E-03 Metallicity 0.5792764E+00 Ellipticity 0.1482729E+01 Gb(Abramov) 0.4605916E-02 Vb(Abramov) -0.3176927E-02 Hb(Abramov) 0.1428988E-02 Ex_ueg -0.8208318E-03 Ec_ueg -0.1939858E-03 Delta_ex -0.1366728E-02 Delta_ec 0.9733174E-03 Delta_et -0.5523057E-02 Pxc 0.4231403E+01 Qxc -0.1404195E+01 3,-1 82 3 +1 2.127223 -2.096920 -0.008482 Rho 0.4367454E-02 |GRAD(Rho)| 0.1108457E-16 GRAD(Rho)x -0.3158427E-17 GRAD(Rho)y -0.9488586E-17 GRAD(Rho)z -0.4781085E-17 Laplacian 0.1740033E-01 (-1/4)Del**2(Rho)) -0.4350083E-02 Diamond 0.3532210E-03 Metallicity 0.4621357E+00 Ellipticity -0.3609201E+01 Gb(Abramov) 0.3235110E-02 Vb(Abramov) -0.2120137E-02 Hb(Abramov) 0.1114973E-02 Ex_ueg -0.5272576E-03 Ec_ueg -0.1197941E-03 Delta_ex -0.8596172E-03 Delta_ec 0.5774652E-03 Delta_et -0.2999019E-02 Pxc 0.4401363E+01 Qxc -0.1488604E+01 3,+1 83 3 -1 0.684030 -3.157869 0.864321 Rho 0.1432317E+00 |GRAD(Rho)| 0.4262029E-15 GRAD(Rho)x 0.9940779E-16 GRAD(Rho)y 0.8775261E-17 GRAD(Rho)z -0.4143550E-15 Laplacian 0.5869295E+00 (-1/4)Del**2(Rho)) -0.1467324E+00 Diamond 0.1134733E+01 Metallicity 0.4603548E+01 Ellipticity 0.9670219E-02 Gb(Abramov) 0.2104032E+00 Vb(Abramov) -0.2740740E+00 Hb(Abramov) -0.6367079E-01 Ex_ueg -0.5534827E-01 Ec_ueg -0.8011665E-02 Delta_ex -0.6242205E-01 Delta_ec 0.1524185E-01 Delta_et -0.2019503E+00 Pxc 0.6908460E+01 Qxc -0.4095439E+01 3,-1 84 3 -1 1.517078 -2.677189 -1.983135 Rho 0.8615727E-01 |GRAD(Rho)| 0.2713134E-11 GRAD(Rho)x 0.1231621E-11 GRAD(Rho)y 0.2410815E-11 GRAD(Rho)z 0.1793795E-12 Laplacian 0.3472932E+00 (-1/4)Del**2(Rho)) -0.8682331E-01 Diamond 0.3564596E+00 Metallicity 0.3334802E+01 Ellipticity 0.1708319E-01 Gb(Abramov) 0.1061386E+00 Vb(Abramov) -0.1254540E+00 Hb(Abramov) -0.1931532E-01 Ex_ueg -0.2810440E-01 Ec_ueg -0.4494441E-02 Delta_ex -0.3261172E-01 Delta_ec 0.9839387E-02 Delta_et -0.1183553E+00 Pxc 0.6253147E+01 Qxc -0.3314405E+01 3,-1 85 3 -1 1.455060 -2.696113 2.012792 Rho 0.1066894E+00 |GRAD(Rho)| 0.1602763E-15 GRAD(Rho)x 0.4660036E-16 GRAD(Rho)y -0.1421457E-15 GRAD(Rho)z -0.5754572E-16 Laplacian 0.4321008E+00 (-1/4)Del**2(Rho)) -0.1080252E+00 Diamond 0.5730534E+00 Metallicity 0.3827336E+01 Ellipticity 0.1039699E-01 Gb(Abramov) 0.1409249E+00 Vb(Abramov) -0.1738247E+00 Hb(Abramov) -0.3289973E-01 Ex_ueg -0.3737202E-01 Ec_ueg -0.5732022E-02 Delta_ex -0.4262645E-01 Delta_ec 0.1165261E-01 Delta_et -0.1462781E+00 Pxc 0.6519867E+01 Qxc -0.3658105E+01 3,-1 86 3 +1 0.626439 2.489376 -0.766511 Rho 0.2244444E-01 |GRAD(Rho)| 0.1108883E-15 GRAD(Rho)x -0.5975324E-16 GRAD(Rho)y 0.5795659E-16 GRAD(Rho)z -0.7325848E-16 Laplacian 0.8286056E-01 (-1/4)Del**2(Rho)) -0.2071514E-01 Diamond 0.9275289E-02 Metallicity 0.1485183E+01 Ellipticity -0.3760155E+01 Gb(Abramov) 0.1893772E-01 Vb(Abramov) -0.1716030E-01 Hb(Abramov) 0.1777419E-02 Ex_ueg -0.4675880E-02 Ec_ueg -0.9609267E-03 Delta_ex -0.4999210E-02 Delta_ec 0.1390954E-02 Delta_et -0.1196059E-01 Pxc 0.4866011E+01 Qxc -0.3594087E+01 3,+1 87 3 +1 0.514819 3.436923 -0.034346 Rho 0.1174555E-01 |GRAD(Rho)| 0.2678138E-17 GRAD(Rho)x 0.2479753E-17 GRAD(Rho)y -0.1010565E-17 GRAD(Rho)z -0.4478112E-19 Laplacian 0.5196431E-01 (-1/4)Del**2(Rho)) -0.1299108E-01 Diamond 0.1627011E-02 Metallicity 0.8048161E+00 Ellipticity -0.1173077E+01 Gb(Abramov) 0.1040329E-01 Vb(Abramov) -0.7815503E-02 Hb(Abramov) 0.2587788E-02 Ex_ueg -0.1971890E-02 Ec_ueg -0.4478353E-03 Delta_ex -0.2422461E-02 Delta_ec 0.4648409E-03 Delta_et -0.3630221E-02 Pxc 0.4403159E+01 Qxc -0.5211376E+01 3,+1 88 3 -1 1.877723 3.059428 -0.707402 Rho 0.1423424E+00 |GRAD(Rho)| 0.2659144E-15 GRAD(Rho)x 0.2627835E-15 GRAD(Rho)y -0.4038653E-16 GRAD(Rho)z 0.4919567E-17 Laplacian 0.5636018E+00 (-1/4)Del**2(Rho)) -0.1409005E+00 Diamond 0.1071739E+01 Metallicity 0.4744584E+01 Ellipticity 0.1506790E-01 Gb(Abramov) 0.2053526E+00 Vb(Abramov) -0.2698048E+00 Hb(Abramov) -0.6445218E-01 Ex_ueg -0.5489055E-01 Ec_ueg -0.7955136E-02 Delta_ex -0.5974580E-01 Delta_ec 0.1447190E-01 Delta_et -0.1911761E+00 Pxc 0.6900014E+01 Qxc -0.4128402E+01 3,-1 89 3 -1 1.839247 3.061931 0.707963 Rho 0.1580191E+00 |GRAD(Rho)| 0.3491732E-12 GRAD(Rho)x 0.3182699E-12 GRAD(Rho)y 0.1432613E-12 GRAD(Rho)z 0.1011650E-13 Laplacian 0.6161083E+00 (-1/4)Del**2(Rho)) -0.1540271E+00 Diamond 0.1332109E+01 Metallicity 0.5165816E+01 Ellipticity 0.3609455E-01 Gb(Abramov) 0.2352973E+00 Vb(Abramov) -0.3165675E+00 Hb(Abramov) -0.8127024E-01 Ex_ueg -0.6309544E-01 Ec_ueg -0.8958815E-02 Delta_ex -0.6704732E-01 Delta_ec 0.1547895E-01 Delta_et -0.2076273E+00 Pxc 0.7042833E+01 Qxc -0.4331516E+01 3,-1 90 3 +1 1.475205 1.587132 2.064901 Rho 0.5339019E-02 |GRAD(Rho)| 0.6602896E-17 GRAD(Rho)x -0.1176539E-17 GRAD(Rho)y 0.5173622E-17 GRAD(Rho)z -0.3930347E-17 Laplacian 0.2169348E-01 (-1/4)Del**2(Rho)) -0.5423370E-02 Diamond 0.6030716E-03 Metallicity 0.5180675E+00 Ellipticity -0.1604743E+02 Gb(Abramov) 0.4083859E-02 Vb(Abramov) -0.2744347E-02 Hb(Abramov) 0.1339511E-02 Ex_ueg -0.6891816E-03 Ec_ueg -0.1615312E-03 Delta_ex -0.1135372E-02 Delta_ec 0.7598615E-03 Delta_et -0.4177950E-02 Pxc 0.4266554E+01 Qxc -0.1494183E+01 3,+1 91 3 +1 1.474071 1.514865 -2.136668 Rho 0.4812091E-02 |GRAD(Rho)| 0.4306449E-16 GRAD(Rho)x -0.1382637E-16 GRAD(Rho)y -0.3803389E-16 GRAD(Rho)z 0.1472429E-16 Laplacian 0.1936268E-01 (-1/4)Del**2(Rho)) -0.4840670E-02 Diamond 0.4625724E-03 Metallicity 0.4881322E+00 Ellipticity -0.6196335E+01 Gb(Abramov) 0.3620928E-02 Vb(Abramov) -0.2401186E-02 Hb(Abramov) 0.1219742E-02 Ex_ueg -0.6000170E-03 Ec_ueg -0.1388353E-03 Delta_ex -0.9885516E-03 Delta_ec 0.6685027E-03 Delta_et -0.3565126E-02 Pxc 0.4321790E+01 Qxc -0.1478755E+01 3,+1 92 3 -1 1.294579 2.006442 0.013775 Rho 0.3771100E-01 |GRAD(Rho)| 0.1517536E-15 GRAD(Rho)x -0.1329052E-15 GRAD(Rho)y -0.7323892E-16 GRAD(Rho)z -0.1195564E-17 Laplacian 0.1415112E+00 (-1/4)Del**2(Rho)) -0.3537779E-01 Diamond 0.4761899E-01 Metallicity 0.2065075E+01 Ellipticity 0.2050547E-01 Gb(Abramov) 0.3576149E-01 Vb(Abramov) -0.3614520E-01 Hb(Abramov) -0.3837029E-03 Ex_ueg -0.9339905E-02 Ec_ueg -0.1747793E-02 Delta_ex -0.1077795E-01 Delta_ec 0.4082650E-02 Delta_et -0.3992179E-01 Pxc 0.5343828E+01 Qxc -0.2639939E+01 3,-1 93 3 -1 2.683061 -1.590785 2.018640 Rho 0.1449574E+00 |GRAD(Rho)| 0.1325104E-13 GRAD(Rho)x 0.9262163E-14 GRAD(Rho)y 0.9449039E-14 GRAD(Rho)z 0.7197476E-15 Laplacian 0.5821140E+00 (-1/4)Del**2(Rho)) -0.1455285E+00 Diamond 0.1154698E+01 Metallicity 0.4735209E+01 Ellipticity 0.2719526E-01 Gb(Abramov) 0.2118703E+00 Vb(Abramov) -0.2782121E+00 Hb(Abramov) -0.6634181E-01 Ex_ueg -0.5623917E-01 Ec_ueg -0.8121501E-02 Delta_ex -0.6222620E-01 Delta_ec 0.1531404E-01 Delta_et -0.2037919E+00 Pxc 0.6924727E+01 Qxc -0.4063344E+01 3,-1 94 3 -1 1.763725 -0.639808 -1.576529 Rho 0.3300356E-01 |GRAD(Rho)| 0.3405085E-16 GRAD(Rho)x -0.3404903E-16 GRAD(Rho)y 0.2131148E-18 GRAD(Rho)z -0.2803679E-18 Laplacian 0.1217630E+00 (-1/4)Del**2(Rho)) -0.3044075E-01 Diamond 0.3353593E-01 Metallicity 0.1921760E+01 Ellipticity 0.3393418E-01 Gb(Abramov) 0.3004380E-01 Vb(Abramov) -0.2964686E-01 Hb(Abramov) 0.3969476E-03 Ex_ueg -0.7818669E-02 Ec_ueg -0.1499550E-02 Delta_ex -0.8925225E-02 Delta_ec 0.3429941E-02 Delta_et -0.3234671E-01 Pxc 0.5214011E+01 Qxc -0.2602151E+01 3,-1 95 3 +3 1.304994 -1.281527 2.623772 Rho 0.1157827E-01 |GRAD(Rho)| 0.1113838E-16 GRAD(Rho)x 0.3339191E-17 GRAD(Rho)y -0.7161606E-17 GRAD(Rho)z -0.7850141E-17 Laplacian 0.4935676E-01 (-1/4)Del**2(Rho)) -0.1233919E-01 Diamond 0.9417439E-03 Metallicity 0.8273181E+00 Ellipticity -0.5476462E+00 Gb(Abramov) 0.9927533E-02 Vb(Abramov) -0.7515875E-02 Hb(Abramov) 0.2411658E-02 Ex_ueg -0.1934535E-02 Ec_ueg -0.4401356E-03 Delta_ex -0.2118036E-02 Delta_ec 0.1312537E-03 Delta_et -0.1374359E-02 Pxc 0.4395316E+01 Qxc -0.1613696E+02 3,+3 96 3 +1 1.735494 -0.705630 -0.009746 Rho 0.6526552E-02 |GRAD(Rho)| 0.1335087E-14 GRAD(Rho)x -0.2641162E-15 GRAD(Rho)y -0.2159327E-16 GRAD(Rho)z -0.1308524E-14 Laplacian 0.2566606E-01 (-1/4)Del**2(Rho)) -0.6416515E-02 Diamond 0.4921931E-03 Metallicity 0.6119655E+00 Ellipticity -0.1377140E+01 Gb(Abramov) 0.4932124E-02 Vb(Abramov) -0.3447733E-02 Hb(Abramov) 0.1484391E-02 Ex_ueg -0.9008036E-03 Ec_ueg -0.2131867E-03 Delta_ex -0.1107592E-02 Delta_ec 0.3846995E-03 Delta_et -0.2427344E-02 Pxc 0.4225421E+01 Qxc -0.2879109E+01 3,+1 97 3 -1 1.778764 -0.653899 1.534029 Rho 0.3236376E-01 |GRAD(Rho)| 0.5928657E-14 GRAD(Rho)x -0.3881675E-14 GRAD(Rho)y -0.4479942E-14 GRAD(Rho)z 0.1081639E-15 Laplacian 0.1292828E+00 (-1/4)Del**2(Rho)) -0.3232070E-01 Diamond 0.3842223E-01 Metallicity 0.1751879E+01 Ellipticity 0.5450269E-01 Gb(Abramov) 0.3098412E-01 Vb(Abramov) -0.2964755E-01 Hb(Abramov) 0.1336574E-02 Ex_ueg -0.7617230E-02 Ec_ueg -0.1466165E-02 Delta_ex -0.9719479E-02 Delta_ec 0.4157727E-02 Delta_et -0.3899503E-01 Pxc 0.5195343E+01 Qxc -0.2337691E+01 3,-1 98 3 +1 1.624922 -1.356842 1.685439 Rho 0.2341066E-01 |GRAD(Rho)| 0.1746402E-16 GRAD(Rho)x -0.1279075E-16 GRAD(Rho)y 0.4455883E-17 GRAD(Rho)z -0.1102424E-16 Laplacian 0.8717610E-01 (-1/4)Del**2(Rho)) -0.2179403E-01 Diamond 0.1017622E-01 Metallicity 0.1514392E+01 Ellipticity -0.3630453E+01 Gb(Abramov) 0.2003014E-01 Vb(Abramov) -0.1826624E-01 Hb(Abramov) 0.1763891E-02 Ex_ueg -0.4946180E-02 Ec_ueg -0.1009031E-02 Delta_ex -0.5299344E-02 Delta_ec 0.1428521E-02 Delta_et -0.1242188E-01 Pxc 0.4901911E+01 Qxc -0.3709672E+01 3,+1 99 3 -1 2.502409 -0.329885 2.730359 Rho 0.1078674E+00 |GRAD(Rho)| 0.1494973E-13 GRAD(Rho)x 0.1465872E-13 GRAD(Rho)y -0.2540455E-14 GRAD(Rho)z -0.1470517E-14 Laplacian 0.4522277E+00 (-1/4)Del**2(Rho)) -0.1130569E+00 Diamond 0.6398168E+00 Metallicity 0.3724544E+01 Ellipticity 0.2986742E-02 Gb(Abramov) 0.1455522E+00 Vb(Abramov) -0.1780475E+00 Hb(Abramov) -0.3249528E-01 Ex_ueg -0.3792324E-01 Ec_ueg -0.5804048E-02 Delta_ex -0.4522383E-01 Delta_ec 0.1305065E-01 Delta_et -0.1654159E+00 Pxc 0.6533930E+01 Qxc -0.3465255E+01 3,-1 100 3 -1 2.491639 -0.327862 -2.724657 Rho 0.1627504E+00 |GRAD(Rho)| 0.7705270E-09 GRAD(Rho)x -0.4130653E-09 GRAD(Rho)y 0.2064706E-09 GRAD(Rho)z -0.6168134E-09 Laplacian 0.6459490E+00 (-1/4)Del**2(Rho)) -0.1614872E+00 Diamond 0.1440314E+01 Metallicity 0.5175491E+01 Ellipticity 0.4210623E-01 Gb(Abramov) 0.2469541E+00 Vb(Abramov) -0.3324210E+00 Hb(Abramov) -0.8546688E-01 Ex_ueg -0.6562677E-01 Ec_ueg -0.9264655E-02 Delta_ex -0.7075080E-01 Delta_ec 0.1600130E-01 Delta_et -0.2151710E+00 Pxc 0.7083563E+01 Qxc -0.4421566E+01 3,-1 101 3 +3 1.830757 0.252125 0.007591 Rho 0.3992290E-02 |GRAD(Rho)| 0.2807146E-12 GRAD(Rho)x 0.1515038E-12 GRAD(Rho)y 0.1458436E-12 GRAD(Rho)z 0.1859487E-12 Laplacian 0.1597011E-01 (-1/4)Del**2(Rho)) -0.3992528E-02 Diamond 0.9167387E-04 Metallicity 0.4335196E+00 Ellipticity -0.7588709E-01 Gb(Abramov) 0.2950158E-02 Vb(Abramov) -0.1907789E-02 Hb(Abramov) 0.1042369E-02 Ex_ueg -0.4677508E-03 Ec_ueg -0.1038081E-03 Delta_ex -0.5307211E-03 Delta_ec 0.9202108E-04 Delta_et -0.6362354E-03 Pxc 0.4505919E+01 Qxc -0.5767386E+01 3,+3 102 3 -1 3.223959 -0.782434 -0.919566 Rho 0.1408105E+00 |GRAD(Rho)| 0.8208153E-14 GRAD(Rho)x 0.1197332E-15 GRAD(Rho)y -0.2618491E-14 GRAD(Rho)z -0.7778365E-14 Laplacian 0.5838119E+00 (-1/4)Del**2(Rho)) -0.1459530E+00 Diamond 0.1098407E+01 Metallicity 0.4498472E+01 Ellipticity 0.1558059E-01 Gb(Abramov) 0.2067296E+00 Vb(Abramov) -0.2675061E+00 Hb(Abramov) -0.6077658E-01 Ex_ueg -0.5410428E-01 Ec_ueg -0.7857871E-02 Delta_ex -0.6175295E-01 Delta_ec 0.1508035E-01 Delta_et -0.1989986E+00 Pxc 0.6885361E+01 Qxc -0.4094927E+01 3,-1 103 3 -1 3.236077 -0.803119 0.841932 Rho 0.1302303E+00 |GRAD(Rho)| 0.1871865E-13 GRAD(Rho)x -0.2486814E-14 GRAD(Rho)y 0.1703162E-13 GRAD(Rho)z 0.7357152E-14 Laplacian 0.5607195E+00 (-1/4)Del**2(Rho)) -0.1401799E+00 Diamond 0.9902916E+00 Metallicity 0.4112011E+01 Ellipticity 0.1397397E-01 Gb(Abramov) 0.1895235E+00 Vb(Abramov) -0.2388670E+00 Hb(Abramov) -0.4934358E-01 Ex_ueg -0.4875298E-01 Ec_ueg -0.7190253E-02 Delta_ex -0.5855702E-01 Delta_ec 0.1539982E-01 Delta_et -0.2019399E+00 Pxc 0.6780427E+01 Qxc -0.3802449E+01 3,-1 104 3 +1 3.050847 0.522778 0.016393 Rho 0.1198223E-01 |GRAD(Rho)| 0.4629749E-15 GRAD(Rho)x -0.2769982E-15 GRAD(Rho)y 0.9679999E-16 GRAD(Rho)z -0.3581166E-15 Laplacian 0.5787644E-01 (-1/4)Del**2(Rho)) -0.1446911E-01 Diamond 0.2233346E-02 Metallicity 0.7470347E+00 Ellipticity -0.1252130E+01 Gb(Abramov) 0.1144756E-01 Vb(Abramov) -0.8426012E-02 Hb(Abramov) 0.3021549E-02 Ex_ueg -0.2025048E-02 Ec_ueg -0.4587487E-03 Delta_ex -0.2820298E-02 Delta_ec 0.7093285E-03 Delta_et -0.5349084E-02 Pxc 0.4414285E+01 Qxc -0.3976011E+01 3,+1 105 3 -1 3.914385 -0.614667 -2.277360 Rho 0.2251819E+00 |GRAD(Rho)| 0.2574010E-15 GRAD(Rho)x -0.2539201E-15 GRAD(Rho)y -0.3530433E-17 GRAD(Rho)z 0.4203994E-16 Laplacian 0.8183851E+00 (-1/4)Del**2(Rho)) -0.2045963E+00 Diamond 0.2692701E+01 Metallicity 0.7017968E+01 Ellipticity 0.2475010E-03 Gb(Abramov) 0.3757059E+00 Vb(Abramov) -0.5468154E+00 Hb(Abramov) -0.1711096E+00 Ex_ueg -0.1011804E+00 Ec_ueg -0.1342080E-01 Delta_ex -0.9732063E-01 Delta_ec 0.1854242E-01 Delta_et -0.2566551E+00 Pxc 0.7539074E+01 Qxc -0.5248539E+01 3,-1 106 3 -1 -1.602967 -0.144696 -1.634013 Rho 0.6436925E-02 |GRAD(Rho)| 0.7576377E-17 GRAD(Rho)x -0.2668154E-17 GRAD(Rho)y -0.5319367E-18 GRAD(Rho)z 0.7071031E-17 Laplacian 0.2335924E-01 (-1/4)Del**2(Rho)) -0.5839810E-02 Diamond 0.8418520E-03 Metallicity 0.6570804E+00 Ellipticity 0.4222679E+00 Gb(Abramov) 0.4532744E-02 Vb(Abramov) -0.3225678E-02 Hb(Abramov) 0.1307066E-02 Ex_ueg -0.8843475E-03 Ec_ueg -0.2092641E-03 Delta_ex -0.1271340E-02 Delta_ec 0.8262657E-03 Delta_et -0.4804688E-02 Pxc 0.4225987E+01 Qxc -0.1538657E+01 3,-1 107 3 -1 -1.662864 -0.017897 1.539014 Rho 0.7505251E-02 |GRAD(Rho)| 0.5920416E-15 GRAD(Rho)x 0.3853227E-15 GRAD(Rho)y 0.7868566E-17 GRAD(Rho)z 0.4494193E-15 Laplacian 0.2872117E-01 (-1/4)Del**2(Rho)) -0.7180293E-02 Diamond 0.1332786E-02 Metallicity 0.6902712E+00 Ellipticity 0.4003173E+00 Gb(Abramov) 0.5612921E-02 Vb(Abramov) -0.4045548E-02 Hb(Abramov) 0.1567373E-02 Ex_ueg -0.1085272E-02 Ec_ueg -0.2562675E-03 Delta_ex -0.1642994E-02 Delta_ec 0.1073827E-02 Delta_et -0.6521085E-02 Pxc 0.4234919E+01 Qxc -0.1530036E+01 3,-1 108 3 -1 -1.899256 0.811844 -1.079673 Rho 0.8000329E-02 |GRAD(Rho)| 0.7713281E-17 GRAD(Rho)x 0.1626303E-17 GRAD(Rho)y -0.3415237E-17 GRAD(Rho)z 0.6722053E-17 Laplacian 0.2958582E-01 (-1/4)Del**2(Rho)) -0.7396454E-02 Diamond 0.1541538E-02 Metallicity 0.7453770E+00 Ellipticity 0.3573264E+00 Gb(Abramov) 0.5849828E-02 Vb(Abramov) -0.4303201E-02 Hb(Abramov) 0.1546627E-02 Ex_ueg -0.1181759E-02 Ec_ueg -0.2782296E-03 Delta_ex -0.1736023E-02 Delta_ec 0.1146291E-02 Delta_et -0.7084625E-02 Pxc 0.4247424E+01 Qxc -0.1514469E+01 3,-1 109 3 -1 -1.815787 0.945840 0.947189 Rho 0.7439331E-02 |GRAD(Rho)| 0.2857959E-16 GRAD(Rho)x -0.1556446E-16 GRAD(Rho)y 0.2120878E-16 GRAD(Rho)z -0.1116817E-16 Laplacian 0.2775770E-01 (-1/4)Del**2(Rho)) -0.6939425E-02 Diamond 0.1258581E-02 Metallicity 0.7038058E+00 Ellipticity 0.2335114E+00 Gb(Abramov) 0.5440285E-02 Vb(Abramov) -0.3941144E-02 Hb(Abramov) 0.1499140E-02 Ex_ueg -0.1072581E-02 Ec_ueg -0.2533517E-03 Delta_ex -0.1577369E-02 Delta_ec 0.1023858E-02 Delta_et -0.6205468E-02 Pxc 0.4233566E+01 Qxc -0.1540614E+01 3,-1 110 3 -1 -0.964326 -0.152737 -3.417356 Rho 0.2126115E+00 |GRAD(Rho)| 0.7471982E-15 GRAD(Rho)x 0.7081466E-15 GRAD(Rho)y 0.4835542E-16 GRAD(Rho)z -0.2334423E-15 Laplacian 0.8254993E+00 (-1/4)Del**2(Rho)) -0.2063748E+00 Diamond 0.2500863E+01 Metallicity 0.6322289E+01 Ellipticity 0.1287608E-01 Gb(Abramov) 0.3550434E+00 Vb(Abramov) -0.5037120E+00 Hb(Abramov) -0.1486686E+00 Ex_ueg -0.9372038E-01 Ec_ueg -0.1256641E-01 Delta_ex -0.9650964E-01 Delta_ec 0.1863156E-01 Delta_et -0.2555733E+00 Pxc 0.7458008E+01 Qxc -0.5179901E+01 3,-1 111 3 -1 -0.785421 -0.163184 -0.007203 Rho 0.2300894E+00 |GRAD(Rho)| 0.2687317E-15 GRAD(Rho)x 0.2686682E-15 GRAD(Rho)y 0.5676305E-17 GRAD(Rho)z 0.1386162E-17 Laplacian 0.1074186E+01 (-1/4)Del**2(Rho)) -0.2685466E+00 Diamond 0.3742453E+01 Metallicity 0.5542359E+01 Ellipticity 0.2244379E-02 Gb(Abramov) 0.4270947E+00 Vb(Abramov) -0.5856428E+00 Hb(Abramov) -0.1585481E+00 Ex_ueg -0.1041311E+00 Ec_ueg -0.1375672E-01 Delta_ex -0.1291050E+00 Delta_ec 0.2534582E-01 Delta_et -0.3560226E+00 Pxc 0.7569477E+01 Qxc -0.5093738E+01 3,-1 112 3 -1 -0.862672 -0.053292 3.363441 Rho 0.1375080E+00 |GRAD(Rho)| 0.1448220E-12 GRAD(Rho)x 0.1341528E-12 GRAD(Rho)y -0.8716091E-14 GRAD(Rho)z 0.5385587E-13 Laplacian 0.5241719E+00 (-1/4)Del**2(Rho)) -0.1310430E+00 Diamond 0.9685491E+00 Metallicity 0.4815993E+01 Ellipticity 0.1095002E+00 Gb(Abramov) 0.1925456E+00 Vb(Abramov) -0.2540483E+00 Hb(Abramov) -0.6150267E-01 Ex_ueg -0.5241901E-01 Ec_ueg -0.7648704E-02 Delta_ex -0.5523802E-01 Delta_ec 0.1381923E-01 Delta_et -0.1821068E+00 Pxc 0.6853319E+01 Qxc -0.3997184E+01 3,-1 113 3 +1 -1.766420 0.248965 -1.586791 Rho 0.6064072E-02 |GRAD(Rho)| 0.3775133E-17 GRAD(Rho)x -0.5556536E-18 GRAD(Rho)y -0.8944668E-18 GRAD(Rho)z 0.3625301E-17 Laplacian 0.2115728E-01 (-1/4)Del**2(Rho)) -0.5289321E-02 Diamond 0.4539538E-03 Metallicity 0.6567910E+00 Ellipticity -0.1873458E+01 Gb(Abramov) 0.4105210E-02 Vb(Abramov) -0.2921100E-02 Hb(Abramov) 0.1184111E-02 Ex_ueg -0.8167156E-03 Ec_ueg -0.1929877E-03 Delta_ex -0.9591286E-03 Delta_ec 0.4282690E-03 Delta_et -0.2558011E-02 Pxc 0.4231957E+01 Qxc -0.2239547E+01 3,+1 114 3 +3 1.150989 1.105156 1.634376 Rho 0.4190934E-02 |GRAD(Rho)| 0.8321414E-12 GRAD(Rho)x 0.5471153E-12 GRAD(Rho)y 0.4059818E-12 GRAD(Rho)z -0.4778106E-12 Laplacian 0.1735268E-01 (-1/4)Del**2(Rho)) -0.4338171E-02 Diamond 0.1272366E-03 Metallicity 0.4326113E+00 Ellipticity -0.2885769E+00 Gb(Abramov) 0.3204904E-02 Vb(Abramov) -0.2071637E-02 Hb(Abramov) 0.1133267E-02 Ex_ueg -0.4990371E-03 Ec_ueg -0.1122633E-03 Delta_ex -0.6086708E-03 Delta_ec 0.1436628E-03 Delta_et -0.9052432E-03 Pxc 0.4445239E+01 Qxc -0.4236802E+01 3,+3 115 3 -1 -0.162019 2.257015 -0.876511 Rho 0.3573326E-01 |GRAD(Rho)| 0.1311107E-12 GRAD(Rho)x 0.2250228E-13 GRAD(Rho)y -0.3301871E-13 GRAD(Rho)z -0.1248736E-12 Laplacian 0.1418095E+00 (-1/4)Del**2(Rho)) -0.3545239E-01 Diamond 0.4838968E-01 Metallicity 0.1883774E+01 Ellipticity 0.2082273E-01 Gb(Abramov) 0.3476564E-01 Vb(Abramov) -0.3407889E-01 Hb(Abramov) 0.6867487E-03 Ex_ueg -0.8692578E-02 Ec_ueg -0.1642954E-02 Delta_ex -0.1093008E-01 Delta_ec 0.4579460E-02 Delta_et -0.4415440E-01 Pxc 0.5290824E+01 Qxc -0.2386762E+01 3,-1 116 3 -1 0.038064 0.871137 -3.333671 Rho 0.1538031E+00 |GRAD(Rho)| 0.5758892E-12 GRAD(Rho)x 0.3935335E-13 GRAD(Rho)y 0.5465010E-12 GRAD(Rho)z 0.1773028E-12 Laplacian 0.6257347E+00 (-1/4)Del**2(Rho)) -0.1564337E+00 Diamond 0.1310188E+01 Metallicity 0.4862185E+01 Ellipticity 0.1139519E-01 Gb(Abramov) 0.2310574E+00 Vb(Abramov) -0.3056811E+00 Hb(Abramov) -0.7462369E-01 Ex_ueg -0.6086093E-01 Ec_ueg -0.8687412E-02 Delta_ex -0.6764656E-01 Delta_ec 0.1583644E-01 Delta_et -0.2116792E+00 Pxc 0.7005646E+01 Qxc -0.4271577E+01 3,-1 117 3 -1 -0.038317 -0.002092 -4.599194 Rho 0.2229440E+00 |GRAD(Rho)| 0.1420821E-13 GRAD(Rho)x -0.1232152E-13 GRAD(Rho)y -0.1214015E-14 GRAD(Rho)z 0.6969902E-14 Laplacian 0.8177796E+00 (-1/4)Del**2(Rho)) -0.2044449E+00 Diamond 0.2657126E+01 Metallicity 0.6907220E+01 Ellipticity 0.1108668E-01 Gb(Abramov) 0.3716542E+00 Vb(Abramov) -0.5388636E+00 Hb(Abramov) -0.1672093E+00 Ex_ueg -0.9984190E-01 Ec_ueg -0.1326806E-01 Delta_ex -0.9698904E-01 Delta_ec 0.1856659E-01 Delta_et -0.2567887E+00 Pxc 0.7524983E+01 Qxc -0.5223849E+01 3,-1 118 3 +3 1.124898 1.125398 -1.682707 Rho 0.3893839E-02 |GRAD(Rho)| 0.2290995E-17 GRAD(Rho)x -0.1570535E-17 GRAD(Rho)y -0.1534379E-17 GRAD(Rho)z -0.6540350E-18 Laplacian 0.1603006E-01 (-1/4)Del**2(Rho)) -0.4007516E-02 Diamond 0.1110506E-03 Metallicity 0.4142933E+00 Ellipticity -0.2358737E+00 Gb(Abramov) 0.2948392E-02 Vb(Abramov) -0.1889268E-02 Hb(Abramov) 0.1059124E-02 Ex_ueg -0.4524345E-03 Ec_ueg -0.9962525E-04 Delta_ex -0.5578249E-03 Delta_ec 0.1435165E-03 Delta_et -0.8718786E-03 Pxc 0.4541364E+01 Qxc -0.3886835E+01 3,+3 119 3 -1 0.043001 0.064204 4.592271 Rho 0.2284725E+00 |GRAD(Rho)| 0.8720458E-15 GRAD(Rho)x 0.1072818E-15 GRAD(Rho)y -0.1591338E-15 GRAD(Rho)z -0.8506650E-15 Laplacian 0.8361532E+00 (-1/4)Del**2(Rho)) -0.2090383E+00 Diamond 0.2794698E+01 Metallicity 0.7036942E+01 Ellipticity 0.4303046E-02 Gb(Abramov) 0.3845239E+00 Vb(Abramov) -0.5600096E+00 Hb(Abramov) -0.1754856E+00 Ex_ueg -0.1031566E+00 Ec_ueg -0.1364589E-01 Delta_ex -0.9978032E-01 Delta_ec 0.1881631E-01 Delta_et -0.2604362E+00 Pxc 0.7559535E+01 Qxc -0.5302864E+01 3,-1 120 3 -1 0.346697 -2.498108 -2.746017 Rho 0.1410883E+00 |GRAD(Rho)| 0.1711724E-13 GRAD(Rho)x 0.1638477E-13 GRAD(Rho)y 0.2850639E-15 GRAD(Rho)z 0.4945493E-14 Laplacian 0.5478556E+00 (-1/4)Del**2(Rho)) -0.1369639E+00 Diamond 0.1043083E+01 Metallicity 0.4809488E+01 Ellipticity 0.3573672E-01 Gb(Abramov) 0.2010970E+00 Vb(Abramov) -0.2652300E+00 Hb(Abramov) -0.6413307E-01 Ex_ueg -0.5424668E-01 Ec_ueg -0.7875502E-02 Delta_ex -0.5808431E-01 Delta_ec 0.1433549E-01 Delta_et -0.1896265E+00 Pxc 0.6888028E+01 Qxc -0.4051785E+01 3,-1 121 3 -1 0.494183 -1.840867 -1.548695 Rho 0.4542181E-01 |GRAD(Rho)| 0.2427916E-16 GRAD(Rho)x 0.6406547E-17 GRAD(Rho)y 0.2104877E-16 GRAD(Rho)z -0.1026562E-16 Laplacian 0.1683793E+00 (-1/4)Del**2(Rho)) -0.4209483E-01 Diamond 0.7438422E-01 Metallicity 0.2366456E+01 Ellipticity 0.2018735E-01 Gb(Abramov) 0.4466582E-01 Vb(Abramov) -0.4723681E-01 Hb(Abramov) -0.2570986E-02 Ex_ueg -0.1196936E-01 Ec_ueg -0.2163416E-02 Delta_ex -0.1350403E-01 Delta_ec 0.4974633E-02 Delta_et -0.5113853E-01 Pxc 0.5532620E+01 Qxc -0.2714579E+01 3,-1 122 3 -1 0.273669 -2.454346 2.740678 Rho 0.1149559E+00 |GRAD(Rho)| 0.5803705E-15 GRAD(Rho)x 0.3254639E-16 GRAD(Rho)y -0.4509197E-15 GRAD(Rho)z -0.3639260E-15 Laplacian 0.4439776E+00 (-1/4)Del**2(Rho)) -0.1109944E+00 Diamond 0.6609360E+00 Metallicity 0.4218304E+01 Ellipticity 0.2228036E-01 Gb(Abramov) 0.1520309E+00 Vb(Abramov) -0.1930675E+00 Hb(Abramov) -0.4103654E-01 Ex_ueg -0.4128196E-01 Ec_ueg -0.6239614E-02 Delta_ex -0.4481813E-01 Delta_ec 0.1219484E-01 Delta_et -0.1558441E+00 Pxc 0.6616108E+01 Qxc -0.3675172E+01 3,-1 123 3 +1 1.524157 1.364413 2.201595 Rho 0.5325390E-02 |GRAD(Rho)| 0.1116714E-16 GRAD(Rho)x -0.9819545E-17 GRAD(Rho)y -0.3063326E-17 GRAD(Rho)z 0.4347144E-17 Laplacian 0.2165148E-01 (-1/4)Del**2(Rho)) -0.5412870E-02 Diamond 0.5681318E-03 Metallicity 0.5168660E+00 Ellipticity -0.4375624E+01 Gb(Abramov) 0.4074868E-02 Vb(Abramov) -0.2736866E-02 Hb(Abramov) 0.1338002E-02 Ex_ueg -0.6868369E-03 Ec_ueg -0.1609424E-03 Delta_ex -0.1105562E-02 Delta_ec 0.7100607E-03 Delta_et -0.3918542E-02 Pxc 0.4267594E+01 Qxc -0.1556997E+01 3,+1 124 3 +1 1.439419 -1.590394 -1.679800 Rho 0.2298660E-01 |GRAD(Rho)| 0.5291380E-16 GRAD(Rho)x -0.3595343E-16 GRAD(Rho)y 0.3299808E-16 GRAD(Rho)z 0.2045356E-16 Laplacian 0.8941033E-01 (-1/4)Del**2(Rho)) -0.2235258E-01 Diamond 0.1101487E-01 Metallicity 0.1432243E+01 Ellipticity -0.4487013E+01 Gb(Abramov) 0.2023744E-01 Vb(Abramov) -0.1812230E-01 Hb(Abramov) 0.2115140E-02 Ex_ueg -0.4827082E-02 Ec_ueg -0.9878866E-03 Delta_ex -0.5510377E-02 Delta_ec 0.1646707E-02 Delta_et -0.1420104E-01 Pxc 0.4886271E+01 Qxc -0.3346301E+01 3,+1 125 3 +3 1.310984 -1.301703 -2.589204 Rho 0.1157837E-01 |GRAD(Rho)| 0.1361005E-16 GRAD(Rho)x 0.8141765E-17 GRAD(Rho)y 0.3297253E-17 GRAD(Rho)z 0.1039582E-16 Laplacian 0.5275401E-01 (-1/4)Del**2(Rho)) -0.1318850E-01 Diamond 0.1046614E-02 Metallicity 0.7740515E+00 Ellipticity -0.4626652E+00 Gb(Abramov) 0.1049377E-01 Vb(Abramov) -0.7799028E-02 Hb(Abramov) 0.2694738E-02 Ex_ueg -0.1934557E-02 Ec_ueg -0.4401401E-03 Delta_ex -0.2275962E-02 Delta_ec 0.1619539E-03 Delta_et -0.1613037E-02 Pxc 0.4395320E+01 Qxc -0.1405315E+02 3,+3 126 3 +1 1.444222 -1.414754 2.908666 Rho 0.1202454E-01 |GRAD(Rho)| 0.2098344E-16 GRAD(Rho)x -0.1904617E-16 GRAD(Rho)y 0.1794629E-17 GRAD(Rho)z 0.8621344E-17 Laplacian 0.5285921E-01 (-1/4)Del**2(Rho)) -0.1321480E-01 Diamond 0.1727809E-02 Metallicity 0.8227606E+00 Ellipticity -0.1198996E+01 Gb(Abramov) 0.1062197E-01 Vb(Abramov) -0.8029140E-02 Hb(Abramov) 0.2592831E-02 Ex_ueg -0.2034588E-02 Ec_ueg -0.4607021E-03 Delta_ex -0.2485479E-02 Delta_ec 0.4822454E-03 Delta_et -0.3774340E-02 Pxc 0.4416277E+01 Qxc -0.5153972E+01 3,+1 127 3 -1 2.724771 -1.544243 -2.004264 Rho 0.1738300E+00 |GRAD(Rho)| 0.1203551E-12 GRAD(Rho)x 0.4338214E-13 GRAD(Rho)y -0.8234109E-13 GRAD(Rho)z 0.7631038E-13 Laplacian 0.6702356E+00 (-1/4)Del**2(Rho)) -0.1675589E+00 Diamond 0.1623763E+01 Metallicity 0.5566644E+01 Ellipticity 0.3634926E-01 Gb(Abramov) 0.2671627E+00 Vb(Abramov) -0.3667666E+00 Hb(Abramov) -0.9960384E-01 Ex_ueg -0.7165030E-01 Ec_ueg -0.9986048E-02 Delta_ex -0.7467956E-01 Delta_ec 0.1641534E-01 Delta_et -0.2227142E+00 Pxc 0.7175040E+01 Qxc -0.4549377E+01 3,-1 128 3 -1 2.673715 1.882117 -0.671349 Rho 0.1418060E+00 |GRAD(Rho)| 0.2792522E-15 GRAD(Rho)x 0.9300422E-16 GRAD(Rho)y -0.2575658E-15 GRAD(Rho)z -0.5469800E-16 Laplacian 0.5886992E+00 (-1/4)Del**2(Rho)) -0.1471748E+00 Diamond 0.1115670E+01 Metallicity 0.4513817E+01 Ellipticity 0.1332924E-01 Gb(Abramov) 0.2088365E+00 Vb(Abramov) -0.2704983E+00 Hb(Abramov) -0.6166175E-01 Ex_ueg -0.5461489E-01 Ec_ueg -0.7921059E-02 Delta_ex -0.6236248E-01 Delta_ec 0.1515470E-01 Delta_et -0.2001360E+00 Pxc 0.6894898E+01 Qxc -0.4115057E+01 3,-1 129 3 -1 2.687636 1.901982 0.715607 Rho 0.1603752E+00 |GRAD(Rho)| 0.2889230E-14 GRAD(Rho)x -0.6146003E-15 GRAD(Rho)y 0.2028217E-14 GRAD(Rho)z -0.1963734E-14 Laplacian 0.6632055E+00 (-1/4)Del**2(Rho)) -0.1658014E+00 Diamond 0.1451986E+01 Metallicity 0.4918813E+01 Ellipticity 0.1477514E-01 Gb(Abramov) 0.2464586E+00 Vb(Abramov) -0.3271158E+00 Hb(Abramov) -0.8065719E-01 Ex_ueg -0.6435287E-01 Ec_ueg -0.9110949E-02 Delta_ex -0.7236770E-01 Delta_ec 0.1647530E-01 Delta_et -0.2210999E+00 Pxc 0.7063246E+01 Qxc -0.4392496E+01 3,-1 130 3 +1 1.453424 0.693163 0.859201 Rho 0.7145297E-02 |GRAD(Rho)| 0.1002580E-13 GRAD(Rho)x -0.9208421E-14 GRAD(Rho)y 0.2031226E-15 GRAD(Rho)z -0.3959848E-14 Laplacian 0.2896734E-01 (-1/4)Del**2(Rho)) -0.7241834E-02 Diamond 0.6258238E-03 Metallicity 0.6305773E+00 Ellipticity -0.1375185E+01 Gb(Abramov) 0.5588979E-02 Vb(Abramov) -0.3936124E-02 Hb(Abramov) 0.1652855E-02 Ex_ueg -0.1016433E-02 Ec_ueg -0.2403706E-03 Delta_ex -0.1276722E-02 Delta_ec 0.4317546E-03 Delta_et -0.2792312E-02 Pxc 0.4228608E+01 Qxc -0.2957054E+01 3,+1 131 3 +1 -1.799933 0.569831 1.370815 Rho 0.6538666E-02 |GRAD(Rho)| 0.2154776E-16 GRAD(Rho)x -0.1546128E-16 GRAD(Rho)y -0.9560276E-17 GRAD(Rho)z 0.1156962E-16 Laplacian 0.2418953E-01 (-1/4)Del**2(Rho)) -0.6047383E-02 Diamond 0.6025638E-03 Metallicity 0.6513298E+00 Ellipticity -0.1926336E+01 Gb(Abramov) 0.4688062E-02 Vb(Abramov) -0.3328741E-02 Hb(Abramov) 0.1359321E-02 Ex_ueg -0.9030336E-03 Ec_ueg -0.2137172E-03 Delta_ex -0.1133637E-02 Delta_ec 0.5219903E-03 Delta_et -0.3165137E-02 Pxc 0.4225367E+01 Qxc -0.2171759E+01 3,+1 132 3 +3 -0.963824 -2.131893 -0.069500 Rho 0.3114537E-02 |GRAD(Rho)| 0.6284338E-12 GRAD(Rho)x 0.2228160E-12 GRAD(Rho)y -0.2776613E-12 GRAD(Rho)z 0.5178670E-12 Laplacian 0.1185692E-01 (-1/4)Del**2(Rho)) -0.2964230E-02 Diamond 0.6355540E-04 Metallicity 0.3860383E+00 Ellipticity -0.8731380E+00 Gb(Abramov) 0.2166871E-02 Vb(Abramov) -0.1369512E-02 Hb(Abramov) 0.7973588E-03 Ex_ueg -0.3359255E-03 Ec_ueg -0.6669844E-04 Delta_ex -0.3951244E-03 Delta_ec 0.1149843E-03 Delta_et -0.6485703E-03 Pxc 0.5036482E+01 Qxc -0.3436333E+01 3,+3 133 3 -1 -2.020481 0.756018 -2.520987 Rho 0.3019150E-01 |GRAD(Rho)| 0.1410875E-13 GRAD(Rho)x -0.9086589E-15 GRAD(Rho)y 0.1024568E-13 GRAD(Rho)z 0.9656975E-14 Laplacian 0.9737095E-01 (-1/4)Del**2(Rho)) -0.2434274E-01 Diamond 0.3539635E-01 Metallicity 0.2071691E+01 Ellipticity 0.1719931E-01 Gb(Abramov) 0.2463360E-01 Vb(Abramov) -0.2492445E-01 Hb(Abramov) -0.2908590E-03 Ex_ueg -0.6943280E-02 Ec_ueg -0.1353489E-02 Delta_ex -0.7965357E-02 Delta_ec 0.4499093E-02 Delta_et -0.4131994E-01 Pxc 0.5129911E+01 Qxc -0.1770436E+01 3,-1 134 3 -1 0.404639 3.270161 1.488717 Rho 0.1042424E+00 |GRAD(Rho)| 0.5366622E-10 GRAD(Rho)x 0.5150173E-10 GRAD(Rho)y 0.1042526E-10 GRAD(Rho)z -0.1090635E-10 Laplacian 0.4209718E+00 (-1/4)Del**2(Rho)) -0.1052429E+00 Diamond 0.5472132E+00 Metallicity 0.3779497E+01 Ellipticity 0.1831521E-01 Gb(Abramov) 0.1364562E+00 Vb(Abramov) -0.1676694E+00 Hb(Abramov) -0.3121325E-01 Ex_ueg -0.3623354E-01 Ec_ueg -0.5582749E-02 Delta_ex -0.4137202E-01 Delta_ec 0.1153684E-01 Delta_et -0.1443590E+00 Pxc 0.6490269E+01 Qxc -0.3586079E+01 3,-1 135 3 -1 -1.297266 -1.663744 0.787202 Rho 0.6376164E-02 |GRAD(Rho)| 0.8720932E-17 GRAD(Rho)x 0.6716773E-18 GRAD(Rho)y 0.6508495E-17 GRAD(Rho)z -0.5765674E-17 Laplacian 0.2434534E-01 (-1/4)Del**2(Rho)) -0.6086335E-02 Diamond 0.9254373E-03 Metallicity 0.6205780E+00 Ellipticity 0.1672851E+01 Gb(Abramov) 0.4687065E-02 Vb(Abramov) -0.3287794E-02 Hb(Abramov) 0.1399271E-02 Ex_ueg -0.8732347E-03 Ec_ueg -0.2066071E-03 Delta_ex -0.1362328E-02 Delta_ec 0.9320833E-03 Delta_et -0.5379846E-02 Pxc 0.4226547E+01 Qxc -0.1461595E+01 3,-1 136 3 -1 -0.512205 -3.035232 1.692533 Rho 0.2220456E+00 |GRAD(Rho)| 0.6919712E-11 GRAD(Rho)x 0.6821729E-11 GRAD(Rho)y 0.9002736E-13 GRAD(Rho)z 0.1156858E-11 Laplacian 0.8826678E+00 (-1/4)Del**2(Rho)) -0.2206669E+00 Diamond 0.2796657E+01 Metallicity 0.6356520E+01 Ellipticity 0.1378061E-01 Gb(Abramov) 0.3808903E+00 Vb(Abramov) -0.5411136E+00 Hb(Abramov) -0.1602233E+00 Ex_ueg -0.9930578E-01 Ec_ueg -0.1320681E-01 Delta_ex -0.1042366E+00 Delta_ec 0.1945773E-01 Delta_et -0.2666488E+00 Pxc 0.7519285E+01 Qxc -0.5357078E+01 3,-1 137 3 -1 -0.482218 -3.126071 -1.729040 Rho 0.2250788E+00 |GRAD(Rho)| 0.2477732E-13 GRAD(Rho)x 0.1453622E-13 GRAD(Rho)y -0.1789026E-13 GRAD(Rho)z -0.9085831E-14 Laplacian 0.8779341E+00 (-1/4)Del**2(Rho)) -0.2194835E+00 Diamond 0.2841093E+01 Metallicity 0.6536956E+01 Ellipticity 0.8133928E-02 Gb(Abramov) 0.3854480E+00 Vb(Abramov) -0.5514125E+00 Hb(Abramov) -0.1659645E+00 Ex_ueg -0.1011186E+00 Ec_ueg -0.1341375E-01 Delta_ex -0.1041232E+00 Delta_ec 0.1941856E-01 Delta_et -0.2668539E+00 Pxc 0.7538428E+01 Qxc -0.5362046E+01 3,-1 138 3 -1 3.209644 3.154013 0.025488 Rho 0.2254121E+00 |GRAD(Rho)| 0.3107781E-13 GRAD(Rho)x -0.2471374E-13 GRAD(Rho)y -0.1882067E-13 GRAD(Rho)z -0.9187275E-15 Laplacian 0.8242819E+00 (-1/4)Del**2(Rho)) -0.2060705E+00 Diamond 0.2711621E+01 Metallicity 0.6979635E+01 Ellipticity 0.2107615E-02 Gb(Abramov) 0.3770964E+00 Vb(Abramov) -0.5481224E+00 Hb(Abramov) -0.1710259E+00 Ex_ueg -0.1013183E+00 Ec_ueg -0.1343652E-01 Delta_ex -0.9802571E-01 Delta_ec 0.1863112E-01 Delta_et -0.2577373E+00 Pxc 0.7540515E+01 Qxc -0.5261396E+01 3,-1 139 3 -1 2.952789 0.389112 -1.578517 Rho 0.1294908E+00 |GRAD(Rho)| 0.1341876E-15 GRAD(Rho)x 0.2940560E-16 GRAD(Rho)y 0.1218779E-15 GRAD(Rho)z 0.4782687E-16 Laplacian 0.5383592E+00 (-1/4)Del**2(Rho)) -0.1345898E+00 Diamond 0.9148243E+00 Metallicity 0.4242346E+01 Ellipticity 0.1159669E-01 Gb(Abramov) 0.1848893E+00 Vb(Abramov) -0.2351888E+00 Hb(Abramov) -0.5029948E-01 Ex_ueg -0.4838422E-01 Ec_ueg -0.7143864E-02 Delta_ex -0.5578813E-01 Delta_ec 0.1416730E-01 Delta_et -0.1844659E+00 Pxc 0.6772836E+01 Qxc -0.3937811E+01 3,-1 140 3 -1 2.978625 0.388765 1.569165 Rho 0.1100427E+00 |GRAD(Rho)| 0.6473620E-16 GRAD(Rho)x -0.4294457E-18 GRAD(Rho)y -0.1034058E-16 GRAD(Rho)z 0.6390355E-16 Laplacian 0.4774766E+00 (-1/4)Del**2(Rho)) -0.1193691E+00 Diamond 0.6921356E+00 Metallicity 0.3646953E+01 Ellipticity 0.2079145E-01 Gb(Abramov) 0.1521350E+00 Vb(Abramov) -0.1849009E+00 Hb(Abramov) -0.3276589E-01 Ex_ueg -0.3894637E-01 Ec_ueg -0.5937321E-02 Delta_ex -0.4797335E-01 Delta_ec 0.1372260E-01 Delta_et -0.1746209E+00 Pxc 0.6559586E+01 Qxc -0.3495936E+01 3,-1 141 3 -1 3.947575 -0.689213 2.229780 Rho 0.2022582E+00 |GRAD(Rho)| 0.4381518E-14 GRAD(Rho)x 0.2318675E-14 GRAD(Rho)y 0.3705224E-14 GRAD(Rho)z -0.3045795E-15 Laplacian 0.7588192E+00 (-1/4)Del**2(Rho)) -0.1897048E+00 Diamond 0.2194776E+01 Metallicity 0.6328755E+01 Ellipticity 0.3227934E-02 Gb(Abramov) 0.3265691E+00 Vb(Abramov) -0.4634333E+00 Hb(Abramov) -0.1368643E+00 Ex_ueg -0.8768523E-01 Ec_ueg -0.1186927E-01 Delta_ex -0.8778128E-01 Delta_ec 0.1772411E-01 Delta_et -0.2436069E+00 Pxc 0.7387581E+01 Qxc -0.4952648E+01 3,-1 142 3 +1 1.498586 -0.424270 2.236572 Rho 0.2055565E-01 |GRAD(Rho)| 0.4137423E-14 GRAD(Rho)x 0.2642877E-14 GRAD(Rho)y -0.3152508E-14 GRAD(Rho)z -0.4417709E-15 Laplacian 0.7377835E-01 (-1/4)Del**2(Rho)) -0.1844459E-01 Diamond 0.6557208E-02 Metallicity 0.1440687E+01 Ellipticity -0.2471103E+01 Gb(Abramov) 0.1672520E-01 Vb(Abramov) -0.1500582E-01 Hb(Abramov) 0.1719384E-02 Ex_ueg -0.4158722E-02 Ec_ueg -0.8676625E-03 Delta_ex -0.4241516E-02 Delta_ec 0.1046891E-02 Delta_et -0.8876054E-02 Pxc 0.4793018E+01 Qxc -0.4051537E+01 3,+1 143 3 +1 -1.205484 -2.156138 -0.075841 Rho 0.3136335E-02 |GRAD(Rho)| 0.9249612E-17 GRAD(Rho)x 0.8630872E-17 GRAD(Rho)y -0.1871466E-17 GRAD(Rho)z -0.2749724E-17 Laplacian 0.1146872E-01 (-1/4)Del**2(Rho)) -0.2867179E-02 Diamond 0.7351192E-04 Metallicity 0.4037716E+00 Ellipticity -0.1105654E+01 Gb(Abramov) 0.2104400E-02 Vb(Abramov) -0.1341622E-02 Hb(Abramov) 0.7627787E-03 Ex_ueg -0.3390640E-03 Ec_ueg -0.6761500E-04 Delta_ex -0.4026508E-03 Delta_ec 0.1465895E-03 Delta_et -0.7806286E-03 Pxc 0.5014627E+01 Qxc -0.2746792E+01 3,+1 144 3 -1 -0.693122 3.883487 -2.343615 Rho 0.2055267E+00 |GRAD(Rho)| 0.2602441E-15 GRAD(Rho)x 0.3721524E-16 GRAD(Rho)y 0.5106592E-16 GRAD(Rho)z 0.2524565E-15 Laplacian 0.7718823E+00 (-1/4)Del**2(Rho)) -0.1929706E+00 Diamond 0.2274399E+01 Metallicity 0.6390122E+01 Ellipticity 0.5350227E-02 Gb(Abramov) 0.3341647E+00 Vb(Abramov) -0.4753587E+00 Hb(Abramov) -0.1411941E+00 Ex_ueg -0.8957966E-01 Ec_ueg -0.1208872E-01 Delta_ex -0.8964902E-01 Delta_ec 0.1793109E-01 Delta_et -0.2466893E+00 Pxc 0.7410188E+01 Qxc -0.4999643E+01 3,-1 145 3 +1 -0.392712 2.661247 -0.243993 Rho 0.2288327E-01 |GRAD(Rho)| 0.3541854E-16 GRAD(Rho)x 0.6766063E-17 GRAD(Rho)y -0.2677600E-16 GRAD(Rho)z -0.2217519E-16 Laplacian 0.8412375E-01 (-1/4)Del**2(Rho)) -0.2103094E-01 Diamond 0.9090630E-02 Metallicity 0.1510861E+01 Ellipticity -0.2943245E+01 Gb(Abramov) 0.1931643E-01 Vb(Abramov) -0.1760192E-01 Hb(Abramov) 0.1714508E-02 Ex_ueg -0.4798171E-02 Ec_ueg -0.9827419E-03 Delta_ex -0.5030699E-02 Delta_ec 0.1285553E-02 Delta_et -0.1114463E-01 Pxc 0.4882433E+01 Qxc -0.3913258E+01 3,+1 146 3 -1 -0.774562 3.797773 2.296777 Rho 0.2238797E+00 |GRAD(Rho)| 0.1866771E-12 GRAD(Rho)x 0.1514659E-13 GRAD(Rho)y -0.1477217E-12 GRAD(Rho)z -0.1131248E-12 Laplacian 0.8240798E+00 (-1/4)Del**2(Rho)) -0.2060199E+00 Diamond 0.2689073E+01 Metallicity 0.6902427E+01 Ellipticity 0.1184784E-01 Gb(Abramov) 0.3743529E+00 Vb(Abramov) -0.5426859E+00 Hb(Abramov) -0.1683330E+00 Ex_ueg -0.1004010E+00 Ec_ueg -0.1333189E-01 Delta_ex -0.9783027E-01 Delta_ec 0.1866587E-01 Delta_et -0.2581357E+00 Pxc 0.7530892E+01 Qxc -0.5241131E+01 3,-1 147 3 -1 -0.243356 2.350677 2.367131 Rho 0.1307327E+00 |GRAD(Rho)| 0.3361143E-15 GRAD(Rho)x -0.1820172E-15 GRAD(Rho)y 0.1976230E-15 GRAD(Rho)z -0.2019598E-15 Laplacian 0.5391549E+00 (-1/4)Del**2(Rho)) -0.1347887E+00 Diamond 0.9327117E+00 Metallicity 0.4304012E+01 Ellipticity 0.1033100E-01 Gb(Abramov) 0.1865479E+00 Vb(Abramov) -0.2383070E+00 Hb(Abramov) -0.5175914E-01 Ex_ueg -0.4900392E-01 Ec_ueg -0.7221791E-02 Delta_ex -0.5607069E-01 Delta_ec 0.1428341E-01 Delta_et -0.1865055E+00 Pxc 0.6785564E+01 Qxc -0.3925582E+01 3,-1 148 3 +3 0.459008 3.125639 -0.036128 Rho 0.1140132E-01 |GRAD(Rho)| 0.1616125E-16 GRAD(Rho)x -0.1238036E-16 GRAD(Rho)y 0.4355211E-17 GRAD(Rho)z -0.9431064E-17 Laplacian 0.4914401E-01 (-1/4)Del**2(Rho)) -0.1228600E-01 Diamond 0.9362249E-03 Metallicity 0.8098432E+00 Ellipticity -0.6366300E+00 Gb(Abramov) 0.9848958E-02 Vb(Abramov) -0.7411913E-02 Hb(Abramov) 0.2437045E-02 Ex_ueg -0.1895215E-02 Ec_ueg -0.4320027E-03 Delta_ex -0.2105008E-02 Delta_ec 0.1409898E-03 Delta_et -0.1435963E-02 Pxc 0.4387044E+01 Qxc -0.1493021E+02 3,+3 149 3 -1 0.504222 3.305317 -1.548288 Rho 0.1214479E+00 |GRAD(Rho)| 0.8651578E-16 GRAD(Rho)x 0.2436744E-16 GRAD(Rho)y -0.7915692E-16 GRAD(Rho)z 0.2500780E-16 Laplacian 0.5061146E+00 (-1/4)Del**2(Rho)) -0.1265287E+00 Diamond 0.8183769E+00 Metallicity 0.4055220E+01 Ellipticity 0.1992223E-01 Gb(Abramov) 0.1698694E+00 Vb(Abramov) -0.2132101E+00 Hb(Abramov) -0.4334071E-01 Ex_ueg -0.4441932E-01 Ec_ueg -0.6641694E-02 Delta_ex -0.5193847E-01 Delta_ec 0.1404400E-01 Delta_et -0.1817770E+00 Pxc 0.6687950E+01 Qxc -0.3698268E+01 3,-1 150 3 -1 1.144884 -0.059099 3.569579 Rho 0.1600485E+00 |GRAD(Rho)| 0.4292600E-13 GRAD(Rho)x -0.3859481E-13 GRAD(Rho)y -0.1832788E-13 GRAD(Rho)z 0.4143821E-14 Laplacian 0.6407829E+00 (-1/4)Del**2(Rho)) -0.1601957E+00 Diamond 0.1394893E+01 Metallicity 0.5073662E+01 Ellipticity 0.3605343E-01 Gb(Abramov) 0.2422603E+00 Vb(Abramov) -0.3243249E+00 Hb(Abramov) -0.8206457E-01 Ex_ueg -0.6417814E-01 Ec_ueg -0.9089833E-02 Delta_ex -0.6984385E-01 Delta_ec 0.1585197E-01 Delta_et -0.2124903E+00 Pxc 0.7060431E+01 Qxc -0.4406004E+01 3,-1 151 3 -1 0.684569 -3.904751 -2.224404 Rho 0.2220494E+00 |GRAD(Rho)| 0.2633507E-13 GRAD(Rho)x -0.2477199E-13 GRAD(Rho)y 0.5780532E-14 GRAD(Rho)z 0.6816894E-14 Laplacian 0.8212220E+00 (-1/4)Del**2(Rho)) -0.2053055E+00 Diamond 0.2652834E+01 Metallicity 0.6832329E+01 Ellipticity 0.1819311E-01 Gb(Abramov) 0.3706561E+00 Vb(Abramov) -0.5360067E+00 Hb(Abramov) -0.1653506E+00 Ex_ueg -0.9930810E-01 Ec_ueg -0.1320708E-01 Delta_ex -0.9728069E-01 Delta_ec 0.1863871E-01 Delta_et -0.2576191E+00 Pxc 0.7519310E+01 Qxc -0.5219284E+01 3,-1 152 3 -1 0.576552 -3.894786 2.221770 Rho 0.2208330E+00 |GRAD(Rho)| 0.3008730E-13 GRAD(Rho)x -0.4590607E-14 GRAD(Rho)y 0.2690795E-13 GRAD(Rho)z -0.1265443E-13 Laplacian 0.8184866E+00 (-1/4)Del**2(Rho)) -0.2046217E+00 Diamond 0.2626228E+01 Metallicity 0.6792684E+01 Ellipticity 0.2205287E-01 Gb(Abramov) 0.3680695E+00 Vb(Abramov) -0.5315173E+00 Hb(Abramov) -0.1634478E+00 Ex_ueg -0.9858335E-01 Ec_ueg -0.1312422E-01 Delta_ex -0.9681693E-01 Delta_ec 0.1860197E-01 Delta_et -0.2570163E+00 Pxc 0.7511557E+01 Qxc -0.5204661E+01 3,-1 153 3 -1 1.484232 1.545552 2.089941 Rho 0.5339271E-02 |GRAD(Rho)| 0.1083663E-17 GRAD(Rho)x -0.8073105E-18 GRAD(Rho)y 0.2285126E-18 GRAD(Rho)z 0.6858258E-18 Laplacian 0.2158432E-01 (-1/4)Del**2(Rho)) -0.5396079E-02 Diamond 0.6167779E-03 Metallicity 0.5207286E+00 Ellipticity 0.1774413E+02 Gb(Abramov) 0.4065702E-02 Vb(Abramov) -0.2735324E-02 Hb(Abramov) 0.1330378E-02 Ex_ueg -0.6892250E-03 Ec_ueg -0.1615421E-03 Delta_ex -0.1143879E-02 Delta_ec 0.7814082E-03 Delta_et -0.4287332E-02 Pxc 0.4266535E+01 Qxc -0.1463868E+01 3,-1 154 3 -1 -0.022933 0.559060 -0.001155 Rho 0.1824825E+00 |GRAD(Rho)| 0.3859946E-13 GRAD(Rho)x -0.5515368E-14 GRAD(Rho)y -0.3820252E-13 GRAD(Rho)z 0.2576100E-15 Laplacian 0.5197995E+00 (-1/4)Del**2(Rho)) -0.1299499E+00 Diamond 0.1483520E+01 Metallicity 0.7782979E+01 Ellipticity 0.7047404E-02 Gb(Abramov) 0.2551994E+00 Vb(Abramov) -0.3804490E+00 Hb(Abramov) -0.1252496E+00 Ex_ueg -0.7644456E-01 Ec_ueg -0.1055437E-01 Delta_ex -0.5976822E-01 Delta_ec 0.1460432E-01 Delta_et -0.2053581E+00 Pxc 0.7242930E+01 Qxc -0.4092502E+01 3,-1 155 3 -1 -0.219837 2.231457 0.842667 Rho 0.4101007E-01 |GRAD(Rho)| 0.6365437E-16 GRAD(Rho)x -0.2102463E-16 GRAD(Rho)y 0.5921417E-16 GRAD(Rho)z 0.1017477E-16 Laplacian 0.1505735E+00 (-1/4)Del**2(Rho)) -0.3764338E-01 Diamond 0.5720609E-01 Metallicity 0.2231938E+01 Ellipticity 0.1605825E-01 Gb(Abramov) 0.3909853E-01 Vb(Abramov) -0.4055368E-01 Hb(Abramov) -0.1455153E-02 Ex_ueg -0.1044493E-01 Ec_ueg -0.1924329E-02 Delta_ex -0.1173358E-01 Delta_ec 0.4383208E-02 Delta_et -0.4384046E-01 Pxc 0.5427832E+01 Qxc -0.2676939E+01 3,-1 156 3 -1 0.114625 0.892136 3.274420 Rho 0.1421711E+00 |GRAD(Rho)| 0.5622720E-16 GRAD(Rho)x -0.1875754E-17 GRAD(Rho)y 0.1615461E-16 GRAD(Rho)z -0.5382386E-16 Laplacian 0.5862935E+00 (-1/4)Del**2(Rho)) -0.1465734E+00 Diamond 0.1113377E+01 Metallicity 0.4551803E+01 Ellipticity 0.1611650E-01 Gb(Abramov) 0.2089111E+00 Vb(Abramov) -0.2712489E+00 Hb(Abramov) -0.6233774E-01 Ex_ueg -0.5480246E-01 Ec_ueg -0.7944249E-02 Delta_ex -0.6213408E-01 Delta_ec 0.1506092E-01 Delta_et -0.1989258E+00 Pxc 0.6898382E+01 Qxc -0.4125518E+01 3,-1 157 3 -1 -0.194881 2.370408 -2.460199 Rho 0.1168079E+00 |GRAD(Rho)| 0.3218653E-15 GRAD(Rho)x -0.5329531E-16 GRAD(Rho)y 0.2931141E-15 GRAD(Rho)z 0.1218237E-15 Laplacian 0.5009339E+00 (-1/4)Del**2(Rho)) -0.1252335E+00 Diamond 0.7793998E+00 Metallicity 0.3839604E+01 Ellipticity 0.1813686E-01 Gb(Abramov) 0.1636301E+00 Vb(Abramov) -0.2020268E+00 Hb(Abramov) -0.3839666E-01 Ex_ueg -0.4217107E-01 Ec_ueg -0.6354011E-02 Delta_ex -0.5102612E-01 Delta_ec 0.1418549E-01 Delta_et -0.1825518E+00 Pxc 0.6636921E+01 Qxc -0.3597065E+01 3,-1 158 3 -1 -2.206806 1.452118 -2.047436 Rho 0.3213738E+00 |GRAD(Rho)| 0.4417764E-12 GRAD(Rho)x 0.2723337E-12 GRAD(Rho)y 0.2813896E-12 GRAD(Rho)z -0.2045011E-12 Laplacian -0.1603279E+01 (-1/4)Del**2(Rho)) 0.4008198E+00 Diamond 0.5655338E+01 Metallicity -0.6480694E+01 Ellipticity 0.1859049E-02 Gb(Abramov) 0.1657185E+00 Vb(Abramov) -0.7322569E+00 Hb(Abramov) -0.5665384E+00 Ex_ueg -0.1625795E+00 Ec_ueg -0.2024608E-01 Delta_ex 0.1598441E+00 Delta_ec 0.5608655E-01 Delta_et -0.1333175E+01 Pxc 0.8030171E+01 Qxc 0.2849954E+01 3,-1 159 3 -1 -1.929890 0.510935 2.649559 Rho 0.3096908E+00 |GRAD(Rho)| 0.1221330E-12 GRAD(Rho)x 0.1200029E-12 GRAD(Rho)y -0.2268066E-13 GRAD(Rho)z -0.1163968E-14 Laplacian -0.1531703E+01 (-1/4)Del**2(Rho)) 0.3829257E+00 Diamond 0.5267771E+01 Metallicity -0.6377530E+01 Ellipticity 0.5175070E-02 Gb(Abramov) 0.1517362E+00 Vb(Abramov) -0.6863982E+00 Hb(Abramov) -0.5346619E+00 Ex_ueg -0.1547472E+00 Ec_ueg -0.1938985E-01 Delta_ex 0.1501213E+00 Delta_ec 0.5426280E-01 Delta_et -0.1267931E+01 Pxc 0.7980834E+01 Qxc 0.2766559E+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 69 121 79 137 84 120 151 117 155 48 147 51 134 146 97 103 140 93 99 141 71 116 110 78 62 138 92 128 129 88 89 119 76 112 156 66 150 69 136 83 122 85 152 94 139 102 100 127 105 115 157 49 144 149 53 72 135 107 108 109 106 111 154 75 81 159 158 52 153 133 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 14 15 16 17 19 21 23 25 28 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 17 19 21 23 28 36 36 36 26 45 46 45 27 46 2.419423 1.952489 1.766773 2.147468 1.948379 1.773109 1.771564 2.465266 1.797508 1.969249 1.928300 2.070279 1.769992 2.550551 1.964583 2.031227 1.936059 2.045808 1.808931 2.506169 1.906887 1.789666 2.086952 1.976059 1.767350 2.494837 1.937381 1.890521 1.945748 1.905101 1.762070 2.494984 1.966807 1.936110 1.909763 1.897900 2.408865 1.771745 1.931391 2.029885 2.063587 1.775202 2.555410 1.972831 1.941420 1.891800 1.868213 1.767810 2.512243 2.007169 2.006171 1.802850 2.001416 2.011255 1.612019 3.187319 3.162845 3.171204 3.130258 3.217661 1.494823 1.606701 1.609233 3.162133 1.005794 0.992893 1.693187 3.280293 1.875749 2.420676 1.952916 1.766809 2.147966 1.948900 1.773130 1.771587 2.466380 1.797626 1.969624 1.928769 2.070725 1.770007 2.552026 1.964849 2.031424 1.936356 2.046057 1.808938 2.507249 1.907122 1.789762 2.087401 1.976590 1.767352 2.496035 1.937786 1.890831 1.946210 1.905560 1.762079 2.496120 1.967716 1.936685 1.910326 1.898321 2.409954 1.771855 1.931781 2.030341 2.064033 1.775223 2.556524 1.973271 1.941748 1.892212 1.868575 1.767815 2.513800 2.007510 2.006992 1.802851 2.001720 2.011585 1.612045 3.217942 3.212872 3.295900 3.146209 3.237371 1.494827 1.606748 1.609245 3.177661 1.005858 0.992950 1.696905 3.284188 1.885313 27 25 24 29 24 24 22 27 22 25 24 26 23 29 23 25 25 24 23 29 23 27 27 25 23 29 23 23 24 25 21 29 27 25 25 25 27 24 26 25 24 24 29 25 23 23 22 23 29 25 24 21 25 25 22 35 35 37 35 35 22 21 23 35 18 18 22 35 25 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 W O W Ta W W W O O W W Ta O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H H 2.3220 -0.8958 2.3368 2.1674 2.3194 2.4081 2.3832 -0.8893 -0.8703 2.3152 2.3785 2.1694 -1.0498 -0.8913 -1.0512 -1.0576 -0.8400 -1.0032 -0.8421 -0.9832 -0.8929 -1.0075 -0.8939 -0.9949 -0.9870 -0.8416 -0.9861 -0.8871 -1.0031 -0.9661 -1.0251 -1.0000 -0.9902 -1.0273 -1.0452 2.1609 -0.8968 -1.0056 -1.0211 -1.0073 -0.8928 -0.8909 -0.8876 -0.9799 0.2702 0.2724 2.1400 1.9487 2.1362 2.1160 2.1351 2.1101 2.1216 1.9494 1.9511 2.1410 2.1151 2.1240 1.8992 1.9029 1.8969 1.8972 1.9511 1.9257 1.8710 1.9271 1.8662 1.9246 1.9484 1.9273 1.9269 1.9514 1.9282 1.9505 1.9341 1.9364 1.9307 1.9351 1.9367 1.9319 1.9292 2.5729 1.9467 1.9332 1.9330 1.9346 1.9483 1.9492 1.9491 1.9351 0.5678 0.5847 6.1180 4.9170 6.1213 6.0849 6.1273 6.1031 6.1159 4.9091 4.8878 6.1215 6.1091 6.0936 5.1147 4.9499 5.1188 5.1249 4.8583 5.0500 4.9418 5.0283 5.0001 5.0562 4.9142 5.0387 5.0312 4.8590 5.0305 4.9060 5.0407 5.0046 5.0669 5.0349 5.0250 5.0675 5.0909 7.4584 4.9203 5.0432 5.0578 5.0445 4.9145 4.9110 4.9082 5.0203 0.1620 0.1429 3.3910 0.0302 3.3764 2.5969 3.3889 3.3485 3.3497 0.0307 0.0314 3.3930 3.3674 2.5786 0.0359 0.0386 0.0356 0.0355 0.0307 0.0275 0.0293 0.0278 0.0266 0.0267 0.0313 0.0289 0.0290 0.0312 0.0274 0.0306 0.0283 0.0251 0.0275 0.0301 0.0285 0.0279 0.0250 0.8079 0.0297 0.0291 0.0303 0.0282 0.0300 0.0308 0.0304 0.0246 0.0000 0.0000 14.0290 0.0000 14.0293 14.0348 14.0293 14.0301 14.0295 0.0000 0.0000 14.0293 14.0299 14.0344 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 W O W Ta W W W O O W W Ta O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H H 2.478539 -0.957381 2.480504 2.355950 2.473338 2.499051 2.498484 -0.948298 -0.929399 2.478052 2.492112 2.368454 -1.033730 -0.946228 -1.040081 -1.038265 -0.911418 -1.021944 -0.691977 -1.009391 -0.727488 -1.034114 -0.868419 -1.004599 -0.995975 -0.909545 -1.016457 -0.891327 -1.018517 -1.061665 -1.041269 -0.998820 -1.012259 -1.030908 -1.069003 1.984534 -0.963311 -1.021589 -1.014659 -1.020254 -0.953604 -0.950527 -0.949697 -1.078136 0.025954 0.025278 1.944821 -0.887620 1.927909 1.830079 1.923091 1.923035 1.949568 -0.882407 -0.845208 1.942451 1.920481 1.873971 -0.706995 -0.826869 -0.713329 -0.709028 -0.820014 -0.785386 -0.866885 -0.751601 -0.950309 -0.788761 -0.796090 -0.734202 -0.739935 -0.824250 -0.780910 -0.806148 -0.857235 -1.001918 -0.869796 -0.812080 -0.863174 -0.843303 -0.913897 1.646398 -0.896071 -0.857269 -0.829031 -0.857275 -0.886597 -0.883505 -0.877190 -1.033213 0.296772 0.318926 2.045420 -0.860737 2.038537 1.951560 2.035405 2.035030 2.061648 -0.843430 -0.824395 2.041851 2.037445 1.995792 -0.784005 -0.784501 -0.821212 -0.792065 -0.818681 -0.878398 -0.904450 -0.842241 -0.968063 -0.889498 -0.856957 -0.834140 -0.834209 -0.823975 -0.858117 -0.858430 -0.883900 -0.989405 -0.914289 -0.871790 -0.885464 -0.897725 -0.962184 1.588649 -0.869136 -0.891390 -0.894570 -0.890798 -0.861041 -0.845474 -0.850190 -1.002141 0.380048 0.375618 -29.22624866 -4.11747258 2.10330646 29.58971256 81.94582641 31.20791695 -13.77507017 -42.68695955 14.44751203 -39.25886687 -315.9950 354.1047 29.0036 -376.3548 -100.9613 -410.2028 May05-2024 06:42:16 Nodes: 1 Procs: 1 May05-2024 06:42:16 Nodes: 1 Procs: 1 0 May05-2024 06:42:16 Nodes: 1 Procs: 1 May05-2024 06:42:17 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May05-2024 06:42:18 Nodes: 1 Procs: 1 May05-2024 06:42:19 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 May05-2024 06:42:20 Nodes: 1 Procs: 1 May05-2024 06:42:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May05-2024 06:42:21 Nodes: 1 Procs: 1 May05-2024 06:42:22 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 May05-2024 06:42:24 Nodes: 1 Procs: 24 *** (NO TITLE) *** -9 -14.43117059 -14.78302760 -14.90867459 -14.99984226 -15.02886725 -15.04126966 -15.05297926 -15.05780891 -15.06128366 -15.06619167 -15.06800559 -15.07049415 -15.07120303 -15.07286954 -15.07307968 -15.07353729 -15.07401729 -15.07410641 -15.07425622 -15.07433996 -15.07441838 -15.07448425 -15.07454415 -15.07459461 -15.07465864 -15.07468926 -15.07470436 -15.07468647 -15.07475588 -15.07467512 -15.07467349 -15.07467773 -15.07467561 GEOMETRY CONVERGED