ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 04:42:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 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 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 04:42:49 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 0.65 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 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 0 Apr29-2024 04:42:49 Nodes: 1 Procs: 1 Apr29-2024 04:42:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 04:42:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 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 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 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 0 Apr29-2024 04:42:49 Nodes: 1 Procs: 1 Apr29-2024 04:42:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr29-2024 04:42:50 Nodes: 1 Procs: 1 Apr29-2024 04:42:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 04:42:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.03 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 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 0 Apr29-2024 04:42:49 Nodes: 1 Procs: 1 Apr29-2024 04:42:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr29-2024 04:42:50 Nodes: 1 Procs: 1 Apr29-2024 04:42:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr29-2024 04:42:52 Nodes: 1 Procs: 1 Apr29-2024 04:42:53 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 04:42:53 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) 1.32 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 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 0 Apr29-2024 04:42:49 Nodes: 1 Procs: 1 Apr29-2024 04:42:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr29-2024 04:42:50 Nodes: 1 Procs: 1 Apr29-2024 04:42:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr29-2024 04:42:52 Nodes: 1 Procs: 1 Apr29-2024 04:42:53 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr29-2024 04:42:53 Nodes: 1 Procs: 1 Apr29-2024 04:42:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 04:42:56 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2674.298261000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Ta ADF 2019 Apr29-2024 04:42:51 1 1 Tantalum TZP 4d t21.P ADF 2019 Apr29-2024 04:42:49 1 1 Phosphorus TZP 1s t21.W ADF 2019 Apr29-2024 04:42:54 1 1 Tungsten TZP 4d t21.O ADF 2019 Apr29-2024 04:42:53 1 1 Oxygen TZP 1s t21.H ADF 2019 Apr29-2024 04:42:48 1 1 Hydrogen TZP 1 1 -16.38228205 0.30085657 0.00100000 F 0.10658905 0.00066667 F 0.30085657 0.10658905 0.20210014 0.01000000 F 0.05798663 0.00666667 F Cartesian 2674.298261000006 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0.199870 -3.773391 3.737130 -0.211205 -3.854607 -3.665331 0.218586 -3.859206 0.320826 -3.627964 -3.796616 -0.155851 3.785915 3.786235 0.204417 3.752377 -0.559483 -3.373169 -1.328273 1 3 -3 0.100229 -2.576344 2.609003 Rho 0.3882646E+07 3,-3 2 3 -3 -0.064654 -0.056236 -0.030256 Rho 0.2439539E+04 3,-3 3 3 -3 0.100712 2.500114 -2.514562 Rho 0.4361414E+07 3,-3 4 3 -3 -0.078070 2.544062 2.514696 Rho 0.4361415E+07 3,-3 5 3 -3 2.415628 -2.665251 0.002571 Rho 0.4361415E+07 3,-3 6 3 -3 2.593741 2.521124 -0.120929 Rho 0.4361415E+07 3,-3 7 3 -3 -2.577403 2.491546 0.074603 Rho 0.4361415E+07 3,-3 8 3 -3 -2.558622 -2.535094 -0.076371 Rho 0.4361415E+07 3,-3 9 3 -3 -2.502749 -0.247570 -2.664116 Rho 0.4361415E+07 3,-3 10 3 -3 -2.548333 0.102994 2.594047 Rho 0.4361415E+07 3,-3 11 3 -3 2.568557 -0.150680 2.551382 Rho 0.4361415E+07 3,-3 12 3 -3 2.484969 -0.057369 -2.628177 Rho 0.4361415E+07 3,-3 13 3 -3 0.844482 -0.964582 0.862806 Rho 0.3187806E+03 3,-3 14 3 -3 -1.020029 -0.912001 -0.894805 Rho 0.3187862E+03 3,-3 15 3 -3 0.855197 0.833561 -0.940935 Rho 0.3187882E+03 3,-3 16 3 -3 -0.896278 0.890677 0.916577 Rho 0.3187763E+03 3,-3 17 3 -3 -3.050695 -1.120764 1.181788 Rho 0.3188647E+03 3,-3 18 3 -3 2.970283 -1.178242 -1.149679 Rho 0.3188133E+03 3,-3 19 3 -3 -3.025247 1.169836 -1.104648 Rho 0.3189948E+03 3,-3 20 3 -3 3.012545 1.209849 1.208010 Rho 0.3188467E+03 3,-3 21 3 -3 1.349787 -1.174216 -3.353416 Rho 0.3193228E+03 3,-3 22 3 -3 1.143116 1.162031 3.007390 Rho 0.3188729E+03 3,-3 23 3 -3 -1.165817 1.151066 -2.999916 Rho 0.3188289E+03 3,-3 24 3 -3 -1.246848 -1.149756 3.112582 Rho 0.3188753E+03 3,-3 25 3 -3 -1.153353 3.028192 -1.135250 Rho 0.3188583E+03 3,-3 26 3 -3 -1.262240 -3.032768 1.227789 Rho 0.3188507E+03 3,-3 27 3 -3 1.150199 3.036347 1.156931 Rho 0.3188788E+03 3,-3 28 3 -3 1.192430 -3.274366 -1.127828 Rho 0.3192022E+03 3,-3 29 3 -3 3.366012 -1.457969 1.509733 Rho 0.3190012E+03 3,-3 30 3 -3 -3.414018 -1.538643 -1.517856 Rho 0.3189025E+03 3,-3 31 3 -3 3.395424 1.530687 -1.449959 Rho 0.3190224E+03 3,-3 32 3 -3 -3.405525 1.526097 1.546931 Rho 0.3189258E+03 3,-3 33 3 -3 1.511066 -1.433289 3.478207 Rho 0.3189037E+03 3,-3 34 3 -3 1.523874 1.528249 -3.363390 Rho 0.3189147E+03 3,-3 35 3 -3 -1.508896 1.514305 3.412530 Rho 0.3189269E+03 3,-3 36 3 -3 -1.776678 -1.430294 -3.739083 Rho 0.3192733E+03 3,-3 37 3 -3 -1.540483 -3.586758 -1.343109 Rho 0.3187057E+03 3,-3 38 3 -3 -1.498136 3.375889 1.510900 Rho 0.3189397E+03 3,-3 39 3 -3 1.558205 -3.428315 1.561148 Rho 0.3188815E+03 3,-3 40 3 -3 1.472905 3.395466 -1.457395 Rho 0.3189199E+03 3,-3 41 3 -3 -0.192093 -3.807881 3.866074 Rho 0.3191436E+03 3,-3 42 3 -3 3.882044 -0.165429 -3.690536 Rho 0.3192240E+03 3,-3 43 3 -3 -0.200719 3.721373 -3.722951 Rho 0.3192860E+03 3,-3 44 3 -3 0.219868 3.754037 3.738844 Rho 0.3192704E+03 3,-3 45 3 -3 3.769903 -3.761505 -0.214383 Rho 0.3192310E+03 3,-3 46 3 -3 3.771278 3.770498 0.199870 Rho 0.3192700E+03 3,-3 47 3 -3 -3.773391 3.737130 -0.211205 Rho 0.3192567E+03 3,-3 48 3 -3 -3.854607 -3.665331 0.218586 Rho 0.3192816E+03 3,-3 49 3 -3 -3.859206 0.320826 -3.627964 Rho 0.3192272E+03 3,-3 50 3 -3 -3.796616 -0.155851 3.785915 Rho 0.3192770E+03 3,-3 51 3 -3 3.786235 0.204417 3.752377 Rho 0.3192673E+03 3,-3 52 3 -3 -0.559483 -3.373169 -1.328273 Rho 0.4316123E+00 3,-3 53 3 +1 -1.727819 -0.504488 0.582271 Rho 0.9248874E-02 |GRAD(Rho)| 0.1221147E-12 GRAD(Rho)x 0.6994492E-13 GRAD(Rho)y -0.6961303E-13 GRAD(Rho)z 0.7192872E-13 Laplacian 0.3890154E-01 (-1/4)Del**2(Rho)) -0.9725386E-02 Diamond 0.1208121E-02 Metallicity 0.7218735E+00 Ellipticity -0.1445958E+01 Gb(Abramov) 0.7653673E-02 Vb(Abramov) -0.5581961E-02 Hb(Abramov) 0.2071712E-02 Ex_ueg -0.1433849E-02 Ec_ueg -0.3341052E-03 Delta_ex -0.1834240E-02 Delta_ec 0.5901289E-03 Delta_et -0.4075575E-02 Pxc 0.4291611E+01 Qxc -0.3108201E+01 3,+1 54 3 +1 -2.184753 -1.156053 -1.263021 Rho 0.2825450E-01 |GRAD(Rho)| 0.3642642E-16 GRAD(Rho)x -0.3344888E-16 GRAD(Rho)y -0.1252659E-16 GRAD(Rho)z 0.7151270E-17 Laplacian 0.1187707E+00 (-1/4)Del**2(Rho)) -0.2969268E-01 Diamond 0.2017498E-01 Metallicity 0.1520722E+01 Ellipticity -0.6695746E+01 Gb(Abramov) 0.2732083E-01 Vb(Abramov) -0.2494899E-01 Hb(Abramov) 0.2371843E-02 Ex_ueg -0.6355774E-02 Ec_ueg -0.1253929E-02 Delta_ex -0.7798381E-02 Delta_ec 0.2310165E-02 Delta_et -0.2096433E-01 Pxc 0.5068689E+01 Qxc -0.3375681E+01 3,+1 55 3 +1 -0.626349 -1.708904 0.559906 Rho 0.8651551E-02 |GRAD(Rho)| 0.1547673E-12 GRAD(Rho)x -0.5628410E-13 GRAD(Rho)y -0.1361955E-12 GRAD(Rho)z -0.4728428E-13 Laplacian 0.3528578E-01 (-1/4)Del**2(Rho)) -0.8821446E-02 Diamond 0.9944438E-03 Metallicity 0.7120383E+00 Ellipticity -0.1446975E+01 Gb(Abramov) 0.6927832E-02 Vb(Abramov) -0.5034218E-02 Hb(Abramov) 0.1893614E-02 Ex_ueg -0.1311728E-02 Ec_ueg -0.3072873E-03 Delta_ex -0.1633399E-02 Delta_ec 0.5303895E-03 Delta_et -0.3603304E-02 Pxc 0.4268735E+01 Qxc -0.3079621E+01 3,+1 56 3 -1 -3.258924 -3.145662 0.081809 Rho 0.2389901E+00 |GRAD(Rho)| 0.4048001E-15 GRAD(Rho)x -0.2267067E-15 GRAD(Rho)y -0.3172918E-15 GRAD(Rho)z 0.1085964E-15 Laplacian 0.8846015E+00 (-1/4)Del**2(Rho)) -0.2211504E+00 Diamond 0.3102997E+01 Metallicity 0.7169664E+01 Ellipticity 0.4492042E-02 Gb(Abramov) 0.4116959E+00 Vb(Abramov) -0.6022414E+00 Hb(Abramov) -0.1905455E+00 Ex_ueg -0.1095364E+00 Ec_ueg -0.1436933E-01 Delta_ex -0.1067080E+00 Delta_ec 0.1947286E-01 Delta_et -0.2692845E+00 Pxc 0.7622927E+01 Qxc -0.5479835E+01 3,-1 57 3 -1 -1.753383 -1.684659 -0.470163 Rho 0.4817646E-01 |GRAD(Rho)| 0.2929359E-14 GRAD(Rho)x 0.2493436E-15 GRAD(Rho)y -0.2259507E-14 GRAD(Rho)z -0.1847594E-14 Laplacian 0.1907119E+00 (-1/4)Del**2(Rho)) -0.4767798E-01 Diamond 0.9219884E-01 Metallicity 0.2304765E+01 Ellipticity 0.1812678E-01 Gb(Abramov) 0.5009975E-01 Vb(Abramov) -0.5252151E-01 Hb(Abramov) -0.2421766E-02 Ex_ueg -0.1294687E-01 Ec_ueg -0.2314326E-02 Delta_ex -0.1556484E-01 Delta_ec 0.5706945E-02 Delta_et -0.5960176E-01 Pxc 0.5594231E+01 Qxc -0.2727350E+01 3,-1 58 3 +1 -0.124906 2.960510 0.131943 Rho 0.5585107E-02 |GRAD(Rho)| 0.2617031E-12 GRAD(Rho)x -0.2395912E-12 GRAD(Rho)y 0.6042184E-13 GRAD(Rho)z -0.8621955E-13 Laplacian 0.2301991E-01 (-1/4)Del**2(Rho)) -0.5754978E-02 Diamond 0.6401398E-03 Metallicity 0.5262944E+00 Ellipticity -0.4419569E+01 Gb(Abramov) 0.4341454E-02 Vb(Abramov) -0.2927930E-02 Hb(Abramov) 0.1413524E-02 Ex_ueg -0.7318584E-03 Ec_ueg -0.1721786E-03 Delta_ex -0.1183193E-02 Delta_ec 0.7494438E-03 Delta_et -0.4197695E-02 Pxc 0.4250577E+01 Qxc -0.1578762E+01 3,+1 59 3 +1 -1.812210 -1.746825 1.823825 Rho 0.1207600E-01 |GRAD(Rho)| 0.1513612E-16 GRAD(Rho)x -0.2301547E-18 GRAD(Rho)y 0.7444599E-17 GRAD(Rho)z 0.1317676E-16 Laplacian 0.5919204E-01 (-1/4)Del**2(Rho)) -0.1479801E-01 Diamond 0.2338427E-02 Metallicity 0.7399824E+00 Ellipticity -0.1256182E+01 Gb(Abramov) 0.1169038E-01 Vb(Abramov) -0.8582759E-02 Hb(Abramov) 0.3107625E-02 Ex_ueg -0.2046204E-02 Ec_ueg -0.4630784E-03 Delta_ex -0.2898917E-02 Delta_ec 0.7406677E-03 Delta_et -0.5583525E-02 Pxc 0.4418700E+01 Qxc -0.3913923E+01 3,+1 60 3 -1 -2.109294 -0.886044 -3.243123 Rho 0.2319915E+00 |GRAD(Rho)| 0.2089910E-15 GRAD(Rho)x -0.1374768E-15 GRAD(Rho)y 0.1265806E-15 GRAD(Rho)z 0.9356665E-16 Laplacian 0.8959907E+00 (-1/4)Del**2(Rho)) -0.2239977E+00 Diamond 0.3000317E+01 Metallicity 0.6736431E+01 Ellipticity 0.1359245E-01 Gb(Abramov) 0.4008226E+00 Vb(Abramov) -0.5776475E+00 Hb(Abramov) -0.1768249E+00 Ex_ueg -0.1052805E+00 Ec_ueg -0.1388727E-01 Delta_ex -0.1070680E+00 Delta_ec 0.1957683E-01 Delta_et -0.2690642E+00 Pxc 0.7581080E+01 Qxc -0.5469118E+01 3,-1 61 3 -1 -1.995151 -3.077759 -0.741499 Rho 0.1485516E+00 |GRAD(Rho)| 0.3537031E-13 GRAD(Rho)x -0.2103436E-13 GRAD(Rho)y 0.1452908E-13 GRAD(Rho)z 0.2444423E-13 Laplacian 0.5557308E+00 (-1/4)Del**2(Rho)) -0.1389327E+00 Diamond 0.1139161E+01 Metallicity 0.5166670E+01 Ellipticity 0.1119033E+00 Gb(Abramov) 0.2122584E+00 Vb(Abramov) -0.2855840E+00 Hb(Abramov) -0.7332566E-01 Ex_ueg -0.5810605E-01 Ec_ueg -0.8350857E-02 Delta_ex -0.5980074E-01 Delta_ec 0.1460297E-01 Delta_et -0.1951968E+00 Pxc 0.6958094E+01 Qxc -0.4095109E+01 3,-1 62 3 -1 -2.970920 -0.930101 -2.042499 Rho 0.1398091E+00 |GRAD(Rho)| 0.1852809E-12 GRAD(Rho)x 0.7043205E-13 GRAD(Rho)y 0.1194932E-12 GRAD(Rho)z -0.1228402E-12 Laplacian 0.5370543E+00 (-1/4)Del**2(Rho)) -0.1342636E+00 Diamond 0.1017655E+01 Metallicity 0.4832303E+01 Ellipticity 0.2902470E-01 Gb(Abramov) 0.1976428E+00 Vb(Abramov) -0.2610220E+00 Hb(Abramov) -0.6337919E-01 Ex_ueg -0.5359189E-01 Ec_ueg -0.7794377E-02 Delta_ex -0.5688187E-01 Delta_ec 0.1420622E-01 Delta_et -0.1879042E+00 Pxc 0.6875712E+01 Qxc -0.4004010E+01 3,-1 63 3 -1 -1.727274 -0.560276 -1.740243 Rho 0.4517836E-01 |GRAD(Rho)| 0.5651606E-16 GRAD(Rho)x -0.4248378E-16 GRAD(Rho)y 0.3616058E-16 GRAD(Rho)z 0.9033606E-17 Laplacian 0.1794344E+00 (-1/4)Del**2(Rho)) -0.4485860E-01 Diamond 0.8078686E-01 Metallicity 0.2200856E+01 Ellipticity 0.2210475E-01 Gb(Abramov) 0.4636028E-01 Vb(Abramov) -0.4786196E-01 Hb(Abramov) -0.1501684E-02 Ex_ueg -0.1188390E-01 Ec_ueg -0.2150138E-02 Delta_ex -0.1447471E-01 Delta_ec 0.5486094E-02 Delta_et -0.5635390E-01 Pxc 0.5527042E+01 Qxc -0.2638436E+01 3,-1 64 3 -1 -1.692404 0.486945 1.720659 Rho 0.3851979E-01 |GRAD(Rho)| 0.3515369E-16 GRAD(Rho)x 0.1254286E-16 GRAD(Rho)y 0.2416405E-16 GRAD(Rho)z -0.2223864E-16 Laplacian 0.1490109E+00 (-1/4)Del**2(Rho)) -0.3725272E-01 Diamond 0.5195149E-01 Metallicity 0.2031740E+01 Ellipticity 0.1421261E-01 Gb(Abramov) 0.3744979E-01 Vb(Abramov) -0.3764686E-01 Hb(Abramov) -0.1970695E-03 Ex_ueg -0.9607938E-02 Ec_ueg -0.1790884E-02 Delta_ex -0.1142994E-01 Delta_ec 0.4335502E-02 Delta_et -0.4264046E-01 Pxc 0.5364912E+01 Qxc -0.2636359E+01 3,-1 65 3 +1 -0.216179 -0.411843 -3.190761 Rho 0.3256618E-02 |GRAD(Rho)| 0.7079003E-17 GRAD(Rho)x 0.6633895E-17 GRAD(Rho)y -0.2430945E-17 GRAD(Rho)z -0.4407053E-18 Laplacian 0.1292278E-01 (-1/4)Del**2(Rho)) -0.3230696E-02 Diamond 0.1484357E-03 Metallicity 0.3815357E+00 Ellipticity -0.1576598E+01 Gb(Abramov) 0.2359235E-02 Vb(Abramov) -0.1487774E-02 Hb(Abramov) 0.8714610E-03 Ex_ueg -0.3565121E-03 Ec_ueg -0.7267718E-04 Delta_ex -0.5585068E-03 Delta_ec 0.3451576E-03 Delta_et -0.1672707E-02 Pxc 0.4905420E+01 Qxc -0.1618121E+01 3,+1 66 3 +3 -2.366576 0.025816 0.049076 Rho 0.4857115E-02 |GRAD(Rho)| 0.1063603E-16 GRAD(Rho)x -0.1395811E-17 GRAD(Rho)y -0.7466542E-17 GRAD(Rho)z 0.7444966E-17 Laplacian 0.2041559E-01 (-1/4)Del**2(Rho)) -0.5103899E-02 Diamond 0.1977864E-03 Metallicity 0.4701991E+00 Ellipticity -0.4113024E+00 Gb(Abramov) 0.3802574E-02 Vb(Abramov) -0.2501249E-02 Hb(Abramov) 0.1301325E-02 Ex_ueg -0.6075139E-03 Ec_ueg -0.1407691E-03 Delta_ex -0.7583457E-03 Delta_ec 0.1946476E-03 Delta_et -0.1229711E-02 Pxc 0.4315678E+01 Qxc -0.3895993E+01 3,+3 67 3 -1 -1.848065 -0.566389 2.856692 Rho 0.1643866E+00 |GRAD(Rho)| 0.5128981E-15 GRAD(Rho)x 0.3541817E-15 GRAD(Rho)y -0.3536396E-15 GRAD(Rho)z 0.1120658E-15 Laplacian 0.6845103E+00 (-1/4)Del**2(Rho)) -0.1711276E+00 Diamond 0.1538286E+01 Metallicity 0.4966042E+01 Ellipticity 0.1208700E-01 Gb(Abramov) 0.2557228E+00 Vb(Abramov) -0.3403181E+00 Hb(Abramov) -0.8459526E-01 Ex_ueg -0.6650794E-01 Ec_ueg -0.9370734E-02 Delta_ex -0.7510432E-01 Delta_ec 0.1681162E-01 Delta_et -0.2260768E+00 Pxc 0.7097410E+01 Qxc -0.4467405E+01 3,-1 68 3 +1 -0.607162 0.483312 -1.683290 Rho 0.9077930E-02 |GRAD(Rho)| 0.8675653E-17 GRAD(Rho)x -0.6377392E-17 GRAD(Rho)y -0.5869240E-17 GRAD(Rho)z 0.3844967E-18 Laplacian 0.3887943E-01 (-1/4)Del**2(Rho)) -0.9719858E-02 Diamond 0.1200595E-02 Metallicity 0.7001718E+00 Ellipticity -0.1440473E+01 Gb(Abramov) 0.7614167E-02 Vb(Abramov) -0.5508476E-02 Hb(Abramov) 0.2105691E-02 Ex_ueg -0.1398623E-02 Ec_ueg -0.3264144E-03 Delta_ex -0.1834462E-02 Delta_ec 0.6073594E-03 Delta_et -0.4161187E-02 Pxc 0.4284810E+01 Qxc -0.3020390E+01 3,+1 69 3 +3 -1.125340 -1.114636 1.189059 Rho 0.4911589E-02 |GRAD(Rho)| 0.6077790E-17 GRAD(Rho)x 0.5287603E-18 GRAD(Rho)y 0.5703020E-17 GRAD(Rho)z 0.2033594E-17 Laplacian 0.1983848E-01 (-1/4)Del**2(Rho)) -0.4959621E-02 Diamond 0.1421785E-03 Metallicity 0.4929559E+00 Ellipticity -0.1037043E+00 Gb(Abramov) 0.3713893E-02 Vb(Abramov) -0.2468165E-02 Hb(Abramov) 0.1245728E-02 Ex_ueg -0.6166155E-03 Ec_ueg -0.1431101E-03 Delta_ex -0.6886625E-03 Delta_ec 0.9924744E-04 Delta_et -0.7489663E-03 Pxc 0.4308679E+01 Qxc -0.6938844E+01 3,+3 70 3 +1 -1.764544 1.738430 -1.739641 Rho 0.1183061E-01 |GRAD(Rho)| 0.3250836E-16 GRAD(Rho)x -0.6940018E-17 GRAD(Rho)y 0.1607188E-16 GRAD(Rho)z 0.2739205E-16 Laplacian 0.5792996E-01 (-1/4)Del**2(Rho)) -0.1448249E-01 Diamond 0.2280571E-02 Metallicity 0.7306705E+00 Ellipticity -0.1281976E+01 Gb(Abramov) 0.1141865E-01 Vb(Abramov) -0.8354806E-02 Hb(Abramov) 0.3063842E-02 Ex_ueg -0.1990953E-02 Ec_ueg -0.4517549E-03 Delta_ex -0.2838074E-02 Delta_ec 0.7540976E-03 Delta_et -0.5633156E-02 Pxc 0.4407154E+01 Qxc -0.3763537E+01 3,+1 71 3 +1 -0.250058 -0.981859 -2.584871 Rho 0.2952079E-02 |GRAD(Rho)| 0.7318134E-17 GRAD(Rho)x 0.3823560E-17 GRAD(Rho)y -0.2017209E-17 GRAD(Rho)z -0.5904773E-17 Laplacian 0.1164017E-01 (-1/4)Del**2(Rho)) -0.2910041E-02 Diamond 0.1000844E-03 Metallicity 0.3596394E+00 Ellipticity -0.1311491E+01 Gb(Abramov) 0.2114455E-02 Vb(Abramov) -0.1318869E-02 Hb(Abramov) 0.7955862E-03 Ex_ueg -0.3127680E-03 Ec_ueg -0.5987581E-04 Delta_ex -0.4616862E-03 Delta_ec 0.2536077E-03 Delta_et -0.1221577E-02 Pxc 0.5223612E+01 Qxc -0.1820474E+01 3,+1 72 3 -1 -0.209272 -1.282976 -3.519784 Rho 0.5383963E-02 |GRAD(Rho)| 0.8237846E-17 GRAD(Rho)x 0.8169977E-17 GRAD(Rho)y 0.9919815E-18 GRAD(Rho)z 0.3599361E-18 Laplacian 0.2105022E-01 (-1/4)Del**2(Rho)) -0.5262556E-02 Diamond 0.8328460E-03 Metallicity 0.5414104E+00 Ellipticity 0.1155952E+00 Gb(Abramov) 0.3983238E-02 Vb(Abramov) -0.2703920E-02 Hb(Abramov) 0.1279318E-02 Ex_ueg -0.6969279E-03 Ec_ueg -0.1634735E-03 Delta_ex -0.1306224E-02 Delta_ec 0.1099383E-02 Delta_et -0.5929690E-02 Pxc 0.4263246E+01 Qxc -0.1188143E+01 3,-1 73 3 +1 -0.567994 -0.591536 1.724566 Rho 0.7780869E-02 |GRAD(Rho)| 0.5624905E-16 GRAD(Rho)x 0.1276214E-16 GRAD(Rho)y 0.5478176E-16 GRAD(Rho)z 0.2044625E-18 Laplacian 0.3146936E-01 (-1/4)Del**2(Rho)) -0.7867339E-02 Diamond 0.7715880E-03 Metallicity 0.6690196E+00 Ellipticity -0.1418223E+01 Gb(Abramov) 0.6122127E-02 Vb(Abramov) -0.4376914E-02 Hb(Abramov) 0.1745212E-02 Ex_ueg -0.1138735E-02 Ec_ueg -0.2684803E-03 Delta_ex -0.1420758E-02 Delta_ec 0.4766095E-03 Delta_et -0.3146329E-02 Pxc 0.4241408E+01 Qxc -0.2980969E+01 3,+1 74 3 +1 0.056524 -0.102063 2.987387 Rho 0.4951163E-02 |GRAD(Rho)| 0.5910862E-17 GRAD(Rho)x 0.1466392E-17 GRAD(Rho)y 0.5725437E-17 GRAD(Rho)z -0.8580882E-19 Laplacian 0.1988342E-01 (-1/4)Del**2(Rho)) -0.4970856E-02 Diamond 0.4660682E-03 Metallicity 0.4984643E+00 Ellipticity -0.3583434E+01 Gb(Abramov) 0.3726870E-02 Vb(Abramov) -0.2482883E-02 Hb(Abramov) 0.1243986E-02 Ex_ueg -0.6232487E-03 Ec_ueg -0.1448118E-03 Delta_ex -0.9946770E-03 Delta_ec 0.6403292E-03 Delta_et -0.3461535E-02 Pxc 0.4303854E+01 Qxc -0.1553384E+01 3,+1 75 3 +1 1.018919 -2.165795 1.346723 Rho 0.2365385E-01 |GRAD(Rho)| 0.3042839E-12 GRAD(Rho)x 0.2140980E-12 GRAD(Rho)y -0.9025036E-13 GRAD(Rho)z -0.1964830E-12 Laplacian 0.9008317E-01 (-1/4)Del**2(Rho)) -0.2252079E-01 Diamond 0.1071317E-01 Metallicity 0.1490983E+01 Ellipticity -0.3430130E+01 Gb(Abramov) 0.2061021E-01 Vb(Abramov) -0.1869963E-01 Hb(Abramov) 0.1910579E-02 Ex_ueg -0.5014807E-02 Ec_ueg -0.1021179E-02 Delta_ex -0.5496702E-02 Delta_ec 0.1485948E-02 Delta_et -0.1295112E-01 Pxc 0.4910799E+01 Qxc -0.3699122E+01 3,+1 76 3 +1 1.667988 0.517567 0.546979 Rho 0.7235655E-02 |GRAD(Rho)| 0.1187445E-12 GRAD(Rho)x -0.7595756E-13 GRAD(Rho)y -0.9085357E-13 GRAD(Rho)z -0.8736589E-14 Laplacian 0.2945715E-01 (-1/4)Del**2(Rho)) -0.7364287E-02 Diamond 0.6835117E-03 Metallicity 0.6332164E+00 Ellipticity -0.1430501E+01 Gb(Abramov) 0.5686723E-02 Vb(Abramov) -0.4009158E-02 Hb(Abramov) 0.1677564E-02 Ex_ueg -0.1033607E-02 Ec_ueg -0.2443555E-03 Delta_ex -0.1322841E-02 Delta_ec 0.4756672E-03 Delta_et -0.3057111E-02 Pxc 0.4229933E+01 Qxc -0.2781022E+01 3,+1 77 3 +3 0.004065 -0.073515 2.354838 Rho 0.4185824E-02 |GRAD(Rho)| 0.5274994E-17 GRAD(Rho)x -0.3416472E-17 GRAD(Rho)y -0.2386195E-17 GRAD(Rho)z 0.3234092E-17 Laplacian 0.1709384E-01 (-1/4)Del**2(Rho)) -0.4273459E-02 Diamond 0.1313694E-03 Metallicity 0.4382703E+00 Ellipticity -0.2941093E+00 Gb(Abramov) 0.3161128E-02 Vb(Abramov) -0.2048796E-02 Hb(Abramov) 0.1112331E-02 Ex_ueg -0.4982260E-03 Ec_ueg -0.1120455E-03 Delta_ex -0.6067448E-03 Delta_ec 0.1546275E-03 Delta_et -0.9535815E-03 Pxc 0.4446639E+01 Qxc -0.3923913E+01 3,+3 78 3 -1 -0.399036 0.326874 0.352625 Rho 0.1945250E+00 |GRAD(Rho)| 0.9612521E-11 GRAD(Rho)x 0.5018749E-11 GRAD(Rho)y -0.5740554E-11 GRAD(Rho)z -0.5853099E-11 Laplacian 0.6395358E+00 (-1/4)Del**2(Rho)) -0.1598839E+00 Diamond 0.1964189E+01 Metallicity 0.7036780E+01 Ellipticity 0.2929953E-02 Gb(Abramov) 0.2941007E+00 Vb(Abramov) -0.4283174E+00 Hb(Abramov) -0.1342167E+00 Ex_ueg -0.8324387E-01 Ec_ueg -0.1135247E-01 Delta_ex -0.7465285E-01 Delta_ec 0.1760137E-01 Delta_et -0.2494797E+00 Pxc 0.7332669E+01 Qxc -0.4241309E+01 3,-1 79 3 +3 -0.174128 -0.521106 -2.589462 Rho 0.2813486E-02 |GRAD(Rho)| 0.3192716E-17 GRAD(Rho)x 0.2382968E-17 GRAD(Rho)y 0.1901748E-17 GRAD(Rho)z -0.9477604E-18 Laplacian 0.1121436E-01 (-1/4)Del**2(Rho)) -0.2803590E-02 Diamond 0.7371043E-04 Metallicity 0.3445454E+00 Ellipticity -0.7089113E+00 Gb(Abramov) 0.2030054E-02 Vb(Abramov) -0.1256518E-02 Hb(Abramov) 0.7735360E-03 Ex_ueg -0.2933445E-03 Ec_ueg -0.5406688E-04 Delta_ex -0.4071691E-03 Delta_ec 0.1847871E-03 Delta_et -0.9133706E-03 Pxc 0.5425587E+01 Qxc -0.2203450E+01 3,+3 80 3 -1 -0.456466 -0.400367 -0.379285 Rho 0.2070689E+00 |GRAD(Rho)| 0.4447646E-12 GRAD(Rho)x 0.2854063E-12 GRAD(Rho)y 0.2392178E-12 GRAD(Rho)z 0.2431740E-12 Laplacian 0.7623818E+00 (-1/4)Del**2(Rho)) -0.1905955E+00 Diamond 0.2487167E+01 Metallicity 0.6550865E+01 Ellipticity 0.3806014E-01 Gb(Abramov) 0.3351578E+00 Vb(Abramov) -0.4797202E+00 Hb(Abramov) -0.1445624E+00 Ex_ueg -0.9047699E-01 Ec_ueg -0.1219246E-01 Delta_ex -0.9014429E-01 Delta_ec 0.2022488E-01 Delta_et -0.2876496E+00 Pxc 0.7420733E+01 Qxc -0.4457098E+01 3,-1 81 3 -1 0.457069 -1.732821 1.699110 Rho 0.3669690E-01 |GRAD(Rho)| 0.9379978E-14 GRAD(Rho)x 0.6658289E-14 GRAD(Rho)y -0.1278174E-14 GRAD(Rho)z -0.6482086E-14 Laplacian 0.1531695E+00 (-1/4)Del**2(Rho)) -0.3829237E-01 Diamond 0.5480516E-01 Metallicity 0.1823154E+01 Ellipticity 0.1436943E-01 Gb(Abramov) 0.3716373E-01 Vb(Abramov) -0.3603508E-01 Hb(Abramov) 0.1128644E-02 Ex_ueg -0.9006532E-02 Ec_ueg -0.1693940E-02 Delta_ex -0.1192184E-01 Delta_ec 0.5017143E-02 Delta_et -0.4873688E-01 Pxc 0.5316913E+01 Qxc -0.2376220E+01 3,-1 82 3 +1 -0.557264 1.660538 -0.536360 Rho 0.8637972E-02 |GRAD(Rho)| 0.5566701E-16 GRAD(Rho)x -0.2436722E-16 GRAD(Rho)y -0.1643187E-16 GRAD(Rho)z 0.4727630E-16 Laplacian 0.3583743E-01 (-1/4)Del**2(Rho)) -0.8959356E-02 Diamond 0.9957346E-03 Metallicity 0.6992449E+00 Ellipticity -0.1413470E+01 Gb(Abramov) 0.7017035E-02 Vb(Abramov) -0.5074714E-02 Hb(Abramov) 0.1942321E-02 Ex_ueg -0.1308983E-02 Ec_ueg -0.3066794E-03 Delta_ex -0.1652863E-02 Delta_ec 0.5290060E-03 Delta_et -0.3599779E-02 Pxc 0.4268246E+01 Qxc -0.3124470E+01 3,+1 83 3 +3 1.110099 1.068408 1.060512 Rho 0.4491497E-02 |GRAD(Rho)| 0.4632296E-17 GRAD(Rho)x 0.3578065E-19 GRAD(Rho)y 0.2912166E-17 GRAD(Rho)z -0.3602246E-17 Laplacian 0.1845011E-01 (-1/4)Del**2(Rho)) -0.4612528E-02 Diamond 0.1252743E-03 Metallicity 0.4566666E+00 Ellipticity -0.1513390E+00 Gb(Abramov) 0.3426083E-02 Vb(Abramov) -0.2239639E-02 Hb(Abramov) 0.1186445E-02 Ex_ueg -0.5473181E-03 Ec_ueg -0.1250959E-03 Delta_ex -0.6338228E-03 Delta_ec 0.1080876E-03 Delta_et -0.7615599E-03 Pxc 0.4375189E+01 Qxc -0.5863973E+01 3,+3 84 3 +1 0.549054 0.464556 1.680839 Rho 0.8219932E-02 |GRAD(Rho)| 0.6583208E-17 GRAD(Rho)x 0.3600856E-18 GRAD(Rho)y -0.1344739E-17 GRAD(Rho)z -0.6434333E-17 Laplacian 0.3429427E-01 (-1/4)Del**2(Rho)) -0.8573567E-02 Diamond 0.9163105E-03 Metallicity 0.6727267E+00 Ellipticity -0.1419334E+01 Gb(Abramov) 0.6676989E-02 Vb(Abramov) -0.4780412E-02 Hb(Abramov) 0.1896578E-02 Ex_ueg -0.1225207E-02 Ec_ueg -0.2880070E-03 Delta_ex -0.1574447E-02 Delta_ec 0.5281733E-03 Delta_et -0.3530722E-02 Pxc 0.4254086E+01 Qxc -0.2980928E+01 3,+1 85 3 -1 0.305396 0.304661 -0.398738 Rho 0.1970078E+00 |GRAD(Rho)| 0.3569539E-15 GRAD(Rho)x -0.3224235E-15 GRAD(Rho)y -0.1299849E-15 GRAD(Rho)z 0.8101304E-16 Laplacian 0.6580696E+00 (-1/4)Del**2(Rho)) -0.1645174E+00 Diamond 0.2056929E+01 Metallicity 0.6984688E+01 Ellipticity 0.1565069E-02 Gb(Abramov) 0.3011954E+00 Vb(Abramov) -0.4378734E+00 Hb(Abramov) -0.1366780E+00 Ex_ueg -0.8466351E-01 Ec_ueg -0.1151803E-01 Delta_ex -0.7709076E-01 Delta_ec 0.1811285E-01 Delta_et -0.2573329E+00 Pxc 0.7350522E+01 Qxc -0.4256136E+01 3,-1 86 3 +1 0.551612 1.678153 0.484815 Rho 0.7862638E-02 |GRAD(Rho)| 0.1753488E-16 GRAD(Rho)x 0.7524216E-17 GRAD(Rho)y 0.1579550E-16 GRAD(Rho)z 0.1166305E-17 Laplacian 0.3249004E-01 (-1/4)Del**2(Rho)) -0.8122510E-02 Diamond 0.8163566E-03 Metallicity 0.6593916E+00 Ellipticity -0.1411360E+01 Gb(Abramov) 0.6307659E-02 Vb(Abramov) -0.4492808E-02 Hb(Abramov) 0.1814851E-02 Ex_ueg -0.1154718E-02 Ec_ueg -0.2721102E-03 Delta_ex -0.1474875E-02 Delta_ec 0.4996274E-03 Delta_et -0.3301520E-02 Pxc 0.4243569E+01 Qxc -0.2951950E+01 3,+1 87 3 +1 0.024241 -3.067608 0.108315 Rho 0.4578213E-02 |GRAD(Rho)| 0.6797327E-16 GRAD(Rho)x 0.6684106E-16 GRAD(Rho)y -0.9107298E-17 GRAD(Rho)z 0.8348357E-17 Laplacian 0.1822547E-01 (-1/4)Del**2(Rho)) -0.4556369E-02 Diamond 0.3671342E-03 Metallicity 0.4772666E+00 Ellipticity -0.2454469E+01 Gb(Abramov) 0.3400013E-02 Vb(Abramov) -0.2243657E-02 Hb(Abramov) 0.1156356E-02 Ex_ueg -0.5614526E-03 Ec_ueg -0.1288070E-03 Delta_ex -0.8801020E-03 Delta_ec 0.5544886E-03 Delta_et -0.2940534E-02 Pxc 0.4358867E+01 Qxc -0.1587232E+01 3,+1 88 3 -1 0.464129 1.632124 -1.692348 Rho 0.4500812E-01 |GRAD(Rho)| 0.2315710E-13 GRAD(Rho)x -0.6295341E-14 GRAD(Rho)y 0.1620907E-13 GRAD(Rho)z -0.1529333E-13 Laplacian 0.1782754E+00 (-1/4)Del**2(Rho)) -0.4456884E-01 Diamond 0.7795647E-01 Metallicity 0.2201270E+01 Ellipticity 0.1231155E-01 Gb(Abramov) 0.4606390E-01 Vb(Abramov) -0.4755896E-01 Hb(Abramov) -0.1495064E-02 Ex_ueg -0.1182423E-01 Ec_ueg -0.2140858E-02 Delta_ex -0.1427361E-01 Delta_ec 0.5282776E-02 Delta_et -0.5417805E-01 Pxc 0.5523127E+01 Qxc -0.2701915E+01 3,-1 89 3 -1 1.750853 -2.990592 -0.602947 Rho 0.2205884E+00 |GRAD(Rho)| 0.4353129E-13 GRAD(Rho)x 0.3842185E-13 GRAD(Rho)y -0.2026382E-13 GRAD(Rho)z 0.2848253E-14 Laplacian 0.8577076E+00 (-1/4)Del**2(Rho)) -0.2144269E+00 Diamond 0.2713474E+01 Metallicity 0.6470110E+01 Ellipticity 0.2178754E-01 Gb(Abramov) 0.3741789E+00 Vb(Abramov) -0.5339308E+00 Hb(Abramov) -0.1597520E+00 Ex_ueg -0.9843780E-01 Ec_ueg -0.1310757E-01 Delta_ex -0.1012191E+00 Delta_ec 0.1912799E-01 Delta_et -0.2628015E+00 Pxc 0.7509994E+01 Qxc -0.5291678E+01 3,-1 90 3 -1 1.952462 -3.053556 0.835078 Rho 0.1461309E+00 |GRAD(Rho)| 0.1705513E-14 GRAD(Rho)x 0.8777701E-15 GRAD(Rho)y 0.8205784E-15 GRAD(Rho)z -0.1210349E-14 Laplacian 0.5621705E+00 (-1/4)Del**2(Rho)) -0.1405426E+00 Diamond 0.1113984E+01 Metallicity 0.4969531E+01 Ellipticity 0.1291221E-01 Gb(Abramov) 0.2101003E+00 Vb(Abramov) -0.2796579E+00 Hb(Abramov) -0.6955762E-01 Ex_ueg -0.5684706E-01 Ec_ueg -0.8196301E-02 Delta_ex -0.6008853E-01 Delta_ec 0.1453931E-01 Delta_et -0.1932401E+00 Pxc 0.6935697E+01 Qxc -0.4132833E+01 3,-1 91 3 +1 2.006454 -2.024868 2.063854 Rho 0.1201733E-01 |GRAD(Rho)| 0.2504522E-16 GRAD(Rho)x -0.1020607E-16 GRAD(Rho)y -0.2261498E-16 GRAD(Rho)z -0.3415004E-17 Laplacian 0.5328834E-01 (-1/4)Del**2(Rho)) -0.1332208E-01 Diamond 0.1783499E-02 Metallicity 0.8153190E+00 Ellipticity -0.1212980E+01 Gb(Abramov) 0.1069168E-01 Vb(Abramov) -0.8061278E-02 Hb(Abramov) 0.2630403E-02 Ex_ueg -0.2032961E-02 Ec_ueg -0.4603690E-03 Delta_ex -0.2517675E-02 Delta_ec 0.5083578E-03 Delta_et -0.3953953E-02 Pxc 0.4415937E+01 Qxc -0.4952565E+01 3,+1 92 3 +1 1.569600 -2.018019 -2.022604 Rho 0.6855095E-02 |GRAD(Rho)| 0.8486516E-17 GRAD(Rho)x -0.2984521E-17 GRAD(Rho)y -0.6069203E-17 GRAD(Rho)z 0.5126243E-17 Laplacian 0.3032292E-01 (-1/4)Del**2(Rho)) -0.7580730E-02 Diamond 0.9698586E-03 Metallicity 0.5621660E+00 Ellipticity -0.2052589E+01 Gb(Abramov) 0.5764091E-02 Vb(Abramov) -0.3947453E-02 Hb(Abramov) 0.1816638E-02 Ex_ueg -0.9617666E-03 Ec_ueg -0.2275983E-03 Delta_ex -0.1536681E-02 Delta_ec 0.8336017E-03 Delta_et -0.5022269E-02 Pxc 0.4225719E+01 Qxc -0.1843423E+01 3,+1 93 3 +1 0.294801 -1.935544 -0.728992 Rho 0.5623127E-02 |GRAD(Rho)| 0.2165527E-16 GRAD(Rho)x 0.1426403E-16 GRAD(Rho)y 0.7921452E-17 GRAD(Rho)z 0.1423862E-16 Laplacian 0.2264457E-01 (-1/4)Del**2(Rho)) -0.5661142E-02 Diamond 0.5623275E-03 Metallicity 0.5411017E+00 Ellipticity -0.2274309E+01 Gb(Abramov) 0.4284637E-02 Vb(Abramov) -0.2908132E-02 Hb(Abramov) 0.1376505E-02 Ex_ueg -0.7385086E-03 Ec_ueg -0.1738263E-03 Delta_ex -0.1107358E-02 Delta_ec 0.6335345E-03 Delta_et -0.3595672E-02 Pxc 0.4248544E+01 Qxc -0.1747905E+01 3,+1 94 3 -1 1.598500 -1.780453 0.422940 Rho 0.3935315E-01 |GRAD(Rho)| 0.2918887E-16 GRAD(Rho)x 0.1118338E-16 GRAD(Rho)y 0.2553000E-16 GRAD(Rho)z -0.8668429E-17 Laplacian 0.1521225E+00 (-1/4)Del**2(Rho)) -0.3803063E-01 Diamond 0.5555259E-01 Metallicity 0.2062459E+01 Ellipticity 0.2788213E-01 Gb(Abramov) 0.3842653E-01 Vb(Abramov) -0.3882242E-01 Hb(Abramov) -0.3958954E-03 Ex_ueg -0.9886085E-02 Ec_ueg -0.1835414E-02 Delta_ex -0.1178717E-01 Delta_ec 0.4525962E-02 Delta_et -0.4478130E-01 Pxc 0.5386297E+01 Qxc -0.2604345E+01 3,-1 95 3 -1 3.147016 -3.257652 -0.114320 Rho 0.2324424E+00 |GRAD(Rho)| 0.7211328E-15 GRAD(Rho)x 0.5559789E-15 GRAD(Rho)y -0.4209957E-15 GRAD(Rho)z -0.1835283E-15 Laplacian 0.8486589E+00 (-1/4)Del**2(Rho)) -0.2121647E+00 Diamond 0.2891579E+01 Metallicity 0.7135191E+01 Ellipticity 0.1121700E-01 Gb(Abramov) 0.3937491E+00 Vb(Abramov) -0.5753335E+00 Hb(Abramov) -0.1815844E+00 Ex_ueg -0.1055534E+00 Ec_ueg -0.1391824E-01 Delta_ex -0.1017029E+00 Delta_ec 0.1895960E-01 Delta_et -0.2624488E+00 Pxc 0.7583816E+01 Qxc -0.5364191E+01 3,-1 96 3 -1 2.694612 -1.872818 -0.611239 Rho 0.1326880E+00 |GRAD(Rho)| 0.2078866E-15 GRAD(Rho)x 0.1033041E-15 GRAD(Rho)y 0.1782293E-15 GRAD(Rho)z 0.2791821E-16 Laplacian 0.5489262E+00 (-1/4)Del**2(Rho)) -0.1372315E+00 Diamond 0.9662336E+00 Metallicity 0.4333300E+01 Ellipticity 0.9116332E-02 Gb(Abramov) 0.1905986E+00 Vb(Abramov) -0.2439656E+00 Hb(Abramov) -0.5336705E-01 Ex_ueg -0.4998357E-01 Ec_ueg -0.7344687E-02 Delta_ex -0.5728595E-01 Delta_ec 0.1448095E-01 Delta_et -0.1895224E+00 Pxc 0.6805405E+01 Qxc -0.3955953E+01 3,-1 97 3 -1 2.899423 -2.020392 0.793574 Rho 0.8492515E-01 |GRAD(Rho)| 0.1215921E-14 GRAD(Rho)x 0.3222926E-15 GRAD(Rho)y -0.1011080E-14 GRAD(Rho)z -0.5935566E-15 Laplacian 0.3382137E+00 (-1/4)Del**2(Rho)) -0.8455341E-01 Diamond 0.3424717E+00 Metallicity 0.3343099E+01 Ellipticity 0.4654920E-02 Gb(Abramov) 0.1034807E+00 Vb(Abramov) -0.1224079E+00 Hb(Abramov) -0.1892727E-01 Ex_ueg -0.2756979E-01 Ec_ueg -0.4421314E-02 Delta_ex -0.3168284E-01 Delta_ec 0.9661908E-02 Delta_et -0.1159090E+00 Pxc 0.6235655E+01 Qxc -0.3279149E+01 3,-1 98 3 +1 1.626541 -0.583215 -0.555484 Rho 0.8845737E-02 |GRAD(Rho)| 0.1012359E-13 GRAD(Rho)x 0.5737577E-14 GRAD(Rho)y 0.2874992E-15 GRAD(Rho)z -0.8335739E-14 Laplacian 0.3788375E-01 (-1/4)Del**2(Rho)) -0.9470938E-02 Diamond 0.1124507E-02 Metallicity 0.6882035E+00 Ellipticity -0.1425164E+01 Gb(Abramov) 0.7400281E-02 Vb(Abramov) -0.5329624E-02 Hb(Abramov) 0.2070657E-02 Ex_ueg -0.1351130E-02 Ec_ueg -0.3159884E-03 Delta_ex -0.1773891E-02 Delta_ec 0.5880952E-03 Delta_et -0.4004506E-02 Pxc 0.4275884E+01 Qxc -0.3016333E+01 3,+1 99 3 -1 3.230465 3.196440 0.051886 Rho 0.2382334E+00 |GRAD(Rho)| 0.3467760E-13 GRAD(Rho)x -0.3264207E-14 GRAD(Rho)y 0.2542183E-13 GRAD(Rho)z 0.2335832E-13 Laplacian 0.8575740E+00 (-1/4)Del**2(Rho)) -0.2143935E+00 Diamond 0.3014914E+01 Metallicity 0.7356634E+01 Ellipticity 0.4457770E-02 Gb(Abramov) 0.4057981E+00 Vb(Abramov) -0.5972027E+00 Hb(Abramov) -0.1914046E+00 Ex_ueg -0.1090741E+00 Ec_ueg -0.1431708E-01 Delta_ex -0.1034599E+00 Delta_ec 0.1907018E-01 Delta_et -0.2644551E+00 Pxc 0.7618465E+01 Qxc -0.5425216E+01 3,-1 100 3 -1 1.692084 1.648010 -0.525900 Rho 0.3237807E-01 |GRAD(Rho)| 0.3773681E-15 GRAD(Rho)x -0.5338902E-16 GRAD(Rho)y 0.3701650E-15 GRAD(Rho)z 0.5033986E-16 Laplacian 0.1232196E+00 (-1/4)Del**2(Rho)) -0.3080490E-01 Diamond 0.3332291E-01 Metallicity 0.1839437E+01 Ellipticity 0.3543355E-01 Gb(Abramov) 0.2998054E-01 Vb(Abramov) -0.2915619E-01 Hb(Abramov) 0.8243528E-03 Ex_ueg -0.7621720E-02 Ec_ueg -0.1466911E-02 Delta_ex -0.9009265E-02 Delta_ec 0.3506799E-02 Delta_et -0.3289913E-01 Pxc 0.5195763E+01 Qxc -0.2569085E+01 3,-1 101 3 +1 -2.952850 -0.221562 -0.219725 Rho 0.5449844E-02 |GRAD(Rho)| 0.7096858E-17 GRAD(Rho)x 0.1591754E-17 GRAD(Rho)y -0.6478690E-17 GRAD(Rho)z 0.2420390E-17 Laplacian 0.2258008E-01 (-1/4)Del**2(Rho)) -0.5645020E-02 Diamond 0.4759070E-03 Metallicity 0.5150639E+00 Ellipticity -0.1655527E+01 Gb(Abramov) 0.4247938E-02 Vb(Abramov) -0.2850855E-02 Hb(Abramov) 0.1397082E-02 Ex_ueg -0.7083216E-03 Ec_ueg -0.1663225E-03 Delta_ex -0.1046124E-02 Delta_ec 0.5405700E-03 Delta_et -0.3080820E-02 Pxc 0.4258724E+01 Qxc -0.1935224E+01 3,+1 102 3 -1 -2.799088 -0.548316 1.838475 Rho 0.1425054E+00 |GRAD(Rho)| 0.1648732E-15 GRAD(Rho)x 0.1627252E-15 GRAD(Rho)y 0.2028813E-16 GRAD(Rho)z -0.1708974E-16 Laplacian 0.5899939E+00 (-1/4)Del**2(Rho)) -0.1474985E+00 Diamond 0.1124013E+01 Metallicity 0.4540997E+01 Ellipticity 0.1018299E-01 Gb(Abramov) 0.2099640E+00 Vb(Abramov) -0.2724295E+00 Hb(Abramov) -0.6246553E-01 Ex_ueg -0.5497436E-01 Ec_ueg -0.7965492E-02 Delta_ex -0.6256684E-01 Delta_ec 0.1515571E-01 Delta_et -0.2002653E+00 Pxc 0.6901565E+01 Qxc -0.4128270E+01 3,-1 103 3 -1 -3.235698 0.059342 -3.183883 Rho 0.2309278E+00 |GRAD(Rho)| 0.4247222E-15 GRAD(Rho)x -0.1584019E-15 GRAD(Rho)y 0.1254964E-15 GRAD(Rho)z -0.3735619E-15 Laplacian 0.8483094E+00 (-1/4)Del**2(Rho)) -0.2120773E+00 Diamond 0.2868302E+01 Metallicity 0.7060778E+01 Ellipticity 0.2090434E-01 Gb(Abramov) 0.3909568E+00 Vb(Abramov) -0.5698362E+00 Hb(Abramov) -0.1788794E+00 Ex_ueg -0.1046373E+00 Ec_ueg -0.1381423E-01 Delta_ex -0.1014915E+00 Delta_ec 0.1899353E-01 Delta_et -0.2628662E+00 Pxc 0.7574604E+01 Qxc -0.5343475E+01 3,-1 104 3 +3 -1.141254 1.095784 -1.114746 Rho 0.5058073E-02 |GRAD(Rho)| 0.3954691E-15 GRAD(Rho)x -0.3248321E-16 GRAD(Rho)y -0.3906333E-15 GRAD(Rho)z 0.5240455E-16 Laplacian 0.2099008E-01 (-1/4)Del**2(Rho)) -0.5247519E-02 Diamond 0.1583159E-03 Metallicity 0.4892990E+00 Ellipticity -0.2201158E+00 Gb(Abramov) 0.3926280E-02 Vb(Abramov) -0.2605041E-02 Hb(Abramov) 0.1321239E-02 Ex_ueg -0.6412566E-03 Ec_ueg -0.1494128E-03 Delta_ex -0.7361152E-03 Delta_ec 0.1078054E-03 Delta_et -0.8108609E-03 Pxc 0.4291846E+01 Qxc -0.6828182E+01 3,+3 105 3 -1 -1.703729 1.659651 0.486974 Rho 0.3972163E-01 |GRAD(Rho)| 0.6852996E-16 GRAD(Rho)x 0.1053158E-16 GRAD(Rho)y -0.6742954E-16 GRAD(Rho)z 0.6220822E-17 Laplacian 0.1544280E+00 (-1/4)Del**2(Rho)) -0.3860699E-01 Diamond 0.5633118E-01 Metallicity 0.2063473E+01 Ellipticity 0.2080916E-01 Gb(Abramov) 0.3901541E-01 Vb(Abramov) -0.3942383E-01 Hb(Abramov) -0.4084200E-03 Ex_ueg -0.1000970E-01 Ec_ueg -0.1855144E-02 Delta_ex -0.1194761E-01 Delta_ec 0.4512436E-02 Delta_et -0.4475083E-01 Pxc 0.5395645E+01 Qxc -0.2647708E+01 3,-1 106 3 +1 -1.194462 1.176196 2.137019 Rho 0.2478663E-01 |GRAD(Rho)| 0.1599679E-16 GRAD(Rho)x 0.3536720E-17 GRAD(Rho)y -0.4918465E-17 GRAD(Rho)z -0.1480532E-16 Laplacian 0.9854768E-01 (-1/4)Del**2(Rho)) -0.2463692E-01 Diamond 0.1368904E-01 Metallicity 0.1473429E+01 Ellipticity -0.5535986E+01 Gb(Abramov) 0.2247474E-01 Vb(Abramov) -0.2031255E-01 Hb(Abramov) 0.2162183E-02 Ex_ueg -0.5337546E-02 Ec_ueg -0.1077977E-02 Delta_ex -0.6219622E-02 Delta_ec 0.1858859E-02 Delta_et -0.1632971E-01 Pxc 0.4951446E+01 Qxc -0.3345935E+01 3,+1 107 3 +1 2.108462 0.980330 -1.369489 Rho 0.2140060E-01 |GRAD(Rho)| 0.1090872E-14 GRAD(Rho)x -0.3609234E-15 GRAD(Rho)y -0.8183200E-15 GRAD(Rho)z -0.6245710E-15 Laplacian 0.8086270E-01 (-1/4)Del**2(Rho)) -0.2021568E-01 Diamond 0.8186815E-02 Metallicity 0.1405750E+01 Ellipticity -0.2798346E+01 Gb(Abramov) 0.1821348E-01 Vb(Abramov) -0.1621129E-01 Hb(Abramov) 0.2002195E-02 Ex_ueg -0.4388198E-02 Ec_ueg -0.9092557E-03 Delta_ex -0.4778568E-02 Delta_ec 0.1287999E-02 Delta_et -0.1096837E-01 Pxc 0.4826143E+01 Qxc -0.3710070E+01 3,+1 108 3 +1 -1.271166 2.104907 1.106438 Rho 0.2532471E-01 |GRAD(Rho)| 0.5533761E-16 GRAD(Rho)x -0.6079865E-17 GRAD(Rho)y 0.5448136E-16 GRAD(Rho)z 0.7554322E-17 Laplacian 0.1003051E+00 (-1/4)Del**2(Rho)) -0.2507626E-01 Diamond 0.1397988E-01 Metallicity 0.1500368E+01 Ellipticity -0.4740511E+01 Gb(Abramov) 0.2298811E-01 Vb(Abramov) -0.2089996E-01 Hb(Abramov) 0.2088152E-02 Ex_ueg -0.5492595E-02 Ec_ueg -0.1105076E-02 Delta_ex -0.6326801E-02 Delta_ec 0.1821404E-02 Delta_et -0.1610207E-01 Pxc 0.4970330E+01 Qxc -0.3473585E+01 3,+1 109 3 -1 -0.837071 1.986701 2.973546 Rho 0.1304054E+00 |GRAD(Rho)| 0.2024394E-14 GRAD(Rho)x 0.1405614E-14 GRAD(Rho)y 0.1177559E-14 GRAD(Rho)z -0.8577733E-15 Laplacian 0.5192431E+00 (-1/4)Del**2(Rho)) -0.1298108E+00 Diamond 0.8903008E+00 Metallicity 0.4450430E+01 Ellipticity 0.3096630E-01 Gb(Abramov) 0.1828261E+00 Vb(Abramov) -0.2358415E+00 Hb(Abramov) -0.5301536E-01 Ex_ueg -0.4884041E-01 Ec_ueg -0.7201244E-02 Delta_ex -0.5390416E-01 Delta_ec 0.1365130E-01 Delta_et -0.1779695E+00 Pxc 0.6782219E+01 Qxc -0.3948647E+01 3,-1 110 3 +1 -2.026279 2.022455 2.039852 Rho 0.1273874E-01 |GRAD(Rho)| 0.1321851E-16 GRAD(Rho)x 0.6203385E-17 GRAD(Rho)y -0.1161413E-17 GRAD(Rho)z 0.1161456E-16 Laplacian 0.6038828E-01 (-1/4)Del**2(Rho)) -0.1509707E-01 Diamond 0.2201818E-02 Metallicity 0.7928748E+00 Ellipticity -0.1171072E+01 Gb(Abramov) 0.1205973E-01 Vb(Abramov) -0.9022385E-02 Hb(Abramov) 0.3037342E-02 Ex_ueg -0.2197288E-02 Ec_ueg -0.4937783E-03 Delta_ex -0.2902290E-02 Delta_ec 0.5815212E-03 Delta_et -0.4574786E-02 Pxc 0.4449949E+01 Qxc -0.4990859E+01 3,+1 111 3 -1 -0.476925 1.682554 1.681929 Rho 0.4198195E-01 |GRAD(Rho)| 0.6796613E-16 GRAD(Rho)x -0.4800771E-17 GRAD(Rho)y -0.5081372E-16 GRAD(Rho)z 0.4488110E-16 Laplacian 0.1661983E+00 (-1/4)Del**2(Rho)) -0.4154957E-01 Diamond 0.6599851E-01 Metallicity 0.2102605E+01 Ellipticity 0.2117486E-01 Gb(Abramov) 0.4226010E-01 Vb(Abramov) -0.4297063E-01 Hb(Abramov) -0.7105289E-03 Ex_ueg -0.1077627E-01 Ec_ueg -0.1976711E-02 Delta_ex -0.1307131E-01 Delta_ec 0.4916184E-02 Delta_et -0.4949128E-01 Pxc 0.5451616E+01 Qxc -0.2658833E+01 3,-1 112 3 -1 -0.575225 1.776908 -2.756656 Rho 0.1492186E+00 |GRAD(Rho)| 0.8258202E-15 GRAD(Rho)x 0.4345482E-15 GRAD(Rho)y 0.7007741E-15 GRAD(Rho)z 0.4541452E-16 Laplacian 0.6346376E+00 (-1/4)Del**2(Rho)) -0.1586594E+00 Diamond 0.1272615E+01 Metallicity 0.4558187E+01 Ellipticity 0.1967845E-01 Gb(Abramov) 0.2263061E+00 Vb(Abramov) -0.2939529E+00 Hb(Abramov) -0.6764673E-01 Ex_ueg -0.5845418E-01 Ec_ueg -0.8393510E-02 Delta_ex -0.6801216E-01 Delta_ec 0.1602577E-01 Delta_et -0.2129563E+00 Pxc 0.6964211E+01 Qxc -0.4243925E+01 3,-1 113 3 +1 1.749509 1.783131 1.768432 Rho 0.1258161E-01 |GRAD(Rho)| 0.2699065E-15 GRAD(Rho)x 0.7920313E-16 GRAD(Rho)y -0.2132561E-15 GRAD(Rho)z 0.1452523E-15 Laplacian 0.6287086E-01 (-1/4)Del**2(Rho)) -0.1571772E-01 Diamond 0.2642393E-02 Metallicity 0.7459750E+00 Ellipticity -0.1258347E+01 Gb(Abramov) 0.1243265E-01 Vb(Abramov) -0.9147579E-02 Hb(Abramov) 0.3285068E-02 Ex_ueg -0.2161226E-02 Ec_ueg -0.4864844E-03 Delta_ex -0.3116834E-02 Delta_ec 0.7938492E-03 Delta_et -0.6038322E-02 Pxc 0.4442539E+01 Qxc -0.3926229E+01 3,+1 114 3 +3 0.029328 2.282268 -0.013836 Rho 0.4477313E-02 |GRAD(Rho)| 0.8719681E-14 GRAD(Rho)x 0.3761897E-14 GRAD(Rho)y -0.6428529E-14 GRAD(Rho)z -0.4533759E-14 Laplacian 0.1862298E-01 (-1/4)Del**2(Rho)) -0.4655745E-02 Diamond 0.1492763E-03 Metallicity 0.4500490E+00 Ellipticity -0.3227993E+00 Gb(Abramov) 0.3453049E-02 Vb(Abramov) -0.2250353E-02 Hb(Abramov) 0.1202696E-02 Ex_ueg -0.5450149E-03 Ec_ueg -0.1244893E-03 Delta_ex -0.6643620E-03 Delta_ec 0.1539942E-03 Delta_et -0.9857067E-03 Pxc 0.4378007E+01 Qxc -0.4314202E+01 3,+3 115 3 -1 0.573765 1.802663 2.760861 Rho 0.1519690E+00 |GRAD(Rho)| 0.3384486E-15 GRAD(Rho)x -0.1375310E-15 GRAD(Rho)y -0.2544080E-15 GRAD(Rho)z -0.1758102E-15 Laplacian 0.6364685E+00 (-1/4)Del**2(Rho)) -0.1591171E+00 Diamond 0.1304983E+01 Metallicity 0.4685556E+01 Ellipticity 0.1737525E-01 Gb(Abramov) 0.2303368E+00 Vb(Abramov) -0.3015565E+00 Hb(Abramov) -0.7121967E-01 Ex_ueg -0.5989515E-01 Ec_ueg -0.8569676E-02 Delta_ex -0.6851964E-01 Delta_ec 0.1600577E-01 Delta_et -0.2132393E+00 Pxc 0.6989196E+01 Qxc -0.4280933E+01 3,-1 116 3 -1 0.858998 1.970320 -2.949203 Rho 0.1503767E+00 |GRAD(Rho)| 0.1984678E-14 GRAD(Rho)x -0.1281771E-14 GRAD(Rho)y 0.1330208E-14 GRAD(Rho)z 0.7256430E-15 Laplacian 0.6020676E+00 (-1/4)Del**2(Rho)) -0.1505169E+00 Diamond 0.1218821E+01 Metallicity 0.4867086E+01 Ellipticity 0.5845455E-01 Gb(Abramov) 0.2224411E+00 Vb(Abramov) -0.2943652E+00 Hb(Abramov) -0.7192414E-01 Ex_ueg -0.5905989E-01 Ec_ueg -0.8467635E-02 Delta_ex -0.6464712E-01 Delta_ec 0.1517857E-01 Delta_et -0.2019240E+00 Pxc 0.6974779E+01 Qxc -0.4259105E+01 3,-1 117 3 +1 0.107499 2.969391 -0.096517 Rho 0.5586748E-02 |GRAD(Rho)| 0.1567101E-15 GRAD(Rho)x 0.1090945E-15 GRAD(Rho)y 0.1091819E-16 GRAD(Rho)z -0.1119699E-15 Laplacian 0.2294491E-01 (-1/4)Del**2(Rho)) -0.5736228E-02 Diamond 0.6420228E-03 Metallicity 0.5282731E+00 Ellipticity -0.4661408E+01 Gb(Abramov) 0.4329201E-02 Vb(Abramov) -0.2922174E-02 Hb(Abramov) 0.1407027E-02 Ex_ueg -0.7321450E-03 Ec_ueg -0.1722497E-03 Delta_ex -0.1182382E-02 Delta_ec 0.7523163E-03 Delta_et -0.4212106E-02 Pxc 0.4250487E+01 Qxc -0.1571656E+01 3,+1 118 3 +1 1.293501 2.069162 -1.051867 Rho 0.2314563E-01 |GRAD(Rho)| 0.5481233E-14 GRAD(Rho)x -0.4292072E-14 GRAD(Rho)y -0.1382926E-14 GRAD(Rho)z -0.3116015E-14 Laplacian 0.8760313E-01 (-1/4)Del**2(Rho)) -0.2190078E-01 Diamond 0.1008361E-01 Metallicity 0.1478683E+01 Ellipticity -0.3335040E+01 Gb(Abramov) 0.1999791E-01 Vb(Abramov) -0.1809503E-01 Hb(Abramov) 0.1902874E-02 Ex_ueg -0.4871661E-02 Ec_ueg -0.9958103E-03 Delta_ex -0.5311120E-02 Delta_ec 0.1439084E-02 Delta_et -0.1247793E-01 Pxc 0.4892157E+01 Qxc -0.3690625E+01 3,+1 119 3 -1 0.830836 2.957968 -1.941742 Rho 0.1400424E+00 |GRAD(Rho)| 0.1669186E-15 GRAD(Rho)x 0.8719696E-16 GRAD(Rho)y 0.1135431E-15 GRAD(Rho)z 0.8582815E-16 Laplacian 0.5552908E+00 (-1/4)Del**2(Rho)) -0.1388227E+00 Diamond 0.1037254E+01 Metallicity 0.4686610E+01 Ellipticity 0.3613636E-01 Gb(Abramov) 0.2009831E+00 Vb(Abramov) -0.2631435E+00 Hb(Abramov) -0.6216041E-01 Ex_ueg -0.5371117E-01 Ec_ueg -0.7809166E-02 Delta_ex -0.5865083E-01 Delta_ec 0.1435006E-01 Delta_et -0.1891793E+00 Pxc 0.6877965E+01 Qxc -0.4087149E+01 3,-1 120 3 -1 0.578507 2.790391 1.786144 Rho 0.1572205E+00 |GRAD(Rho)| 0.2936125E-15 GRAD(Rho)x -0.2418855E-15 GRAD(Rho)y -0.4519768E-17 GRAD(Rho)z 0.1663708E-15 Laplacian 0.6527617E+00 (-1/4)Del**2(Rho)) -0.1631904E+00 Diamond 0.1398180E+01 Metallicity 0.4834746E+01 Ellipticity 0.1784491E-01 Gb(Abramov) 0.2402910E+00 Vb(Abramov) -0.3173916E+00 Hb(Abramov) -0.7710056E-01 Ex_ueg -0.6267060E-01 Ec_ueg -0.8907319E-02 Delta_ex -0.7090395E-01 Delta_ec 0.1634365E-01 Delta_et -0.2188904E+00 Pxc 0.7035855E+01 Qxc -0.4338319E+01 3,-1 121 3 -1 -0.061426 3.159968 -3.167477 Rho 0.2394229E+00 |GRAD(Rho)| 0.1879532E-13 GRAD(Rho)x 0.8168948E-14 GRAD(Rho)y 0.1677640E-13 GRAD(Rho)z -0.2254924E-14 Laplacian 0.8786954E+00 (-1/4)Del**2(Rho)) -0.2196738E+00 Diamond 0.3093151E+01 Metallicity 0.7239651E+01 Ellipticity 0.1105510E-02 Gb(Abramov) 0.4115096E+00 Vb(Abramov) -0.6033453E+00 Hb(Abramov) -0.1918357E+00 Ex_ueg -0.1098009E+00 Ec_ueg -0.1439923E-01 Delta_ex -0.1060679E+00 Delta_ec 0.1937204E-01 Delta_et -0.2680813E+00 Pxc 0.7625472E+01 Qxc -0.5475308E+01 3,-1 122 3 -1 1.352711 -2.165689 -2.181326 Rho 0.7053044E-02 |GRAD(Rho)| 0.3453007E-16 GRAD(Rho)x 0.1814768E-16 GRAD(Rho)y 0.2921247E-16 GRAD(Rho)z 0.3101411E-17 Laplacian 0.2864817E-01 (-1/4)Del**2(Rho)) -0.7162042E-02 Diamond 0.1367548E-02 Metallicity 0.6239416E+00 Ellipticity 0.6914573E+00 Gb(Abramov) 0.5519477E-02 Vb(Abramov) -0.3876913E-02 Hb(Abramov) 0.1642565E-02 Ex_ueg -0.9989732E-03 Ec_ueg -0.2363061E-03 Delta_ex -0.1704384E-02 Delta_ec 0.1222862E-02 Delta_et -0.7238621E-02 Pxc 0.4227454E+01 Qxc -0.1393766E+01 3,-1 123 3 -1 0.847238 -1.963232 3.055219 Rho 0.1171434E+00 |GRAD(Rho)| 0.3516423E-15 GRAD(Rho)x 0.2869748E-15 GRAD(Rho)y 0.1619663E-15 GRAD(Rho)z 0.1227385E-15 Laplacian 0.4880595E+00 (-1/4)Del**2(Rho)) -0.1220149E+00 Diamond 0.7578525E+00 Metallicity 0.3959770E+01 Ellipticity 0.8154311E-02 Gb(Abramov) 0.1618684E+00 Vb(Abramov) -0.2017219E+00 Hb(Abramov) -0.3985352E-01 Ex_ueg -0.4233265E-01 Ec_ueg -0.6374761E-02 Delta_ex -0.4969086E-01 Delta_ec 0.1370953E-01 Delta_et -0.1763670E+00 Pxc 0.6640664E+01 Qxc -0.3624548E+01 3,-1 124 3 +1 1.081122 -1.279100 2.138312 Rho 0.2142745E-01 |GRAD(Rho)| 0.6175953E-14 GRAD(Rho)x 0.4808859E-14 GRAD(Rho)y 0.3588826E-14 GRAD(Rho)z 0.1462052E-14 Laplacian 0.7930986E-01 (-1/4)Del**2(Rho)) -0.1982747E-01 Diamond 0.8530141E-02 Metallicity 0.1436273E+01 Ellipticity -0.3966829E+01 Gb(Abramov) 0.1796458E-01 Vb(Abramov) -0.1610170E-01 Hb(Abramov) 0.1862881E-02 Ex_ueg -0.4395542E-02 Ec_ueg -0.9105811E-03 Delta_ex -0.4753292E-02 Delta_ec 0.1379174E-02 Delta_et -0.1170740E-01 Pxc 0.4827183E+01 Qxc -0.3446477E+01 3,+1 125 3 +1 -1.721905 0.536467 -0.499316 Rho 0.9370519E-02 |GRAD(Rho)| 0.1295703E-12 GRAD(Rho)x -0.7661219E-13 GRAD(Rho)y -0.7558651E-13 GRAD(Rho)z 0.7215058E-13 Laplacian 0.3943535E-01 (-1/4)Del**2(Rho)) -0.9858836E-02 Diamond 0.1269075E-02 Metallicity 0.7277802E+00 Ellipticity -0.1471759E+01 Gb(Abramov) 0.7768402E-02 Vb(Abramov) -0.5677967E-02 Hb(Abramov) 0.2090435E-02 Ex_ueg -0.1459049E-02 Ec_ueg -0.3395857E-03 Delta_ex -0.1874523E-02 Delta_ec 0.6142773E-03 Delta_et -0.4245072E-02 Pxc 0.4296556E+01 Qxc -0.3051590E+01 3,+1 126 3 +3 1.794791 -1.839058 1.852553 Rho 0.1151937E-01 |GRAD(Rho)| 0.3387226E-14 GRAD(Rho)x -0.2880038E-14 GRAD(Rho)y -0.1256586E-14 GRAD(Rho)z 0.1264784E-14 Laplacian 0.4955234E-01 (-1/4)Del**2(Rho)) -0.1238808E-01 Diamond 0.9389409E-03 Metallicity 0.8170785E+00 Ellipticity -0.4995480E+00 Gb(Abramov) 0.9945729E-02 Vb(Abramov) -0.7503374E-02 Hb(Abramov) 0.2442355E-02 Ex_ueg -0.1921425E-02 Ec_ueg -0.4374273E-03 Delta_ex -0.2123265E-02 Delta_ec 0.1318987E-03 Delta_et -0.1380429E-02 Pxc 0.4392559E+01 Qxc -0.1609769E+02 3,+3 127 3 -1 1.986161 2.969202 -0.829310 Rho 0.1395503E+00 |GRAD(Rho)| 0.2960964E-15 GRAD(Rho)x 0.2228035E-16 GRAD(Rho)y 0.2644979E-15 GRAD(Rho)z -0.1312156E-15 Laplacian 0.5519330E+00 (-1/4)Del**2(Rho)) -0.1379832E+00 Diamond 0.1029769E+01 Metallicity 0.4687539E+01 Ellipticity 0.2656841E-01 Gb(Abramov) 0.1997891E+00 Vb(Abramov) -0.2615950E+00 Hb(Abramov) -0.6180590E-01 Ex_ueg -0.5345966E-01 Ec_ueg -0.7777978E-02 Delta_ex -0.5828065E-01 Delta_ec 0.1433696E-01 Delta_et -0.1890332E+00 Pxc 0.6873209E+01 Qxc -0.4065065E+01 3,-1 128 3 +1 2.930872 0.009039 0.031221 Rho 0.4655943E-02 |GRAD(Rho)| 0.2420207E-17 GRAD(Rho)x -0.5029903E-18 GRAD(Rho)y -0.2179277E-17 GRAD(Rho)z -0.9247459E-18 Laplacian 0.1888580E-01 (-1/4)Del**2(Rho)) -0.4721449E-02 Diamond 0.4402517E-03 Metallicity 0.4736860E+00 Ellipticity -0.6975066E+01 Gb(Abramov) 0.3520380E-02 Vb(Abramov) -0.2319311E-02 Hb(Abramov) 0.1201069E-02 Ex_ueg -0.5741983E-03 Ec_ueg -0.1321368E-03 Delta_ex -0.9671478E-03 Delta_ec 0.6677622E-03 Delta_et -0.3519881E-02 Pxc 0.4345484E+01 Qxc -0.1448342E+01 3,+1 129 3 -1 3.226836 0.040638 3.200664 Rho 0.2381027E+00 |GRAD(Rho)| 0.2363073E-13 GRAD(Rho)x -0.1646079E-13 GRAD(Rho)y -0.4790032E-14 GRAD(Rho)z -0.1626374E-13 Laplacian 0.8577723E+00 (-1/4)Del**2(Rho)) -0.2144431E+00 Diamond 0.3013820E+01 Metallicity 0.7348213E+01 Ellipticity 0.3343918E-02 Gb(Abramov) 0.4055909E+00 Vb(Abramov) -0.5967388E+00 Hb(Abramov) -0.1911479E+00 Ex_ueg -0.1089944E+00 Ec_ueg -0.1430806E-01 Delta_ex -0.1034700E+00 Delta_ec 0.1907959E-01 Delta_et -0.2645884E+00 Pxc 0.7617693E+01 Qxc -0.5423075E+01 3,-1 130 3 -1 3.239608 -0.115604 -3.202395 Rho 0.2309562E+00 |GRAD(Rho)| 0.2804277E-13 GRAD(Rho)x 0.2229380E-13 GRAD(Rho)y 0.1591025E-13 GRAD(Rho)z 0.6020575E-14 Laplacian 0.8391097E+00 (-1/4)Del**2(Rho)) -0.2097774E+00 Diamond 0.2843282E+01 Metallicity 0.7139652E+01 Ellipticity 0.1652275E-01 Gb(Abramov) 0.3894746E+00 Vb(Abramov) -0.5691717E+00 Hb(Abramov) -0.1796972E+00 Ex_ueg -0.1046545E+00 Ec_ueg -0.1381618E-01 Delta_ex -0.1004258E+00 Delta_ec 0.1884356E-01 Delta_et -0.2610299E+00 Pxc 0.7574777E+01 Qxc -0.5329448E+01 3,-1 131 3 -1 2.947639 0.776950 -1.998944 Rho 0.7985402E-01 |GRAD(Rho)| 0.1796061E-13 GRAD(Rho)x -0.5757952E-14 GRAD(Rho)y -0.1338295E-13 GRAD(Rho)z -0.1050362E-13 Laplacian 0.3229046E+00 (-1/4)Del**2(Rho)) -0.8072614E-01 Diamond 0.3029010E+00 Metallicity 0.3160096E+01 Ellipticity 0.1456123E-02 Gb(Abramov) 0.9633449E-01 Vb(Abramov) -0.1119428E+00 Hb(Abramov) -0.1560835E-01 Ex_ueg -0.2539690E-01 Ec_ueg -0.4121819E-02 Delta_ex -0.2981479E-01 Delta_ec 0.9320270E-02 Delta_et -0.1102922E+00 Pxc 0.6161576E+01 Qxc -0.3198918E+01 3,-1 132 3 -1 1.638996 0.379697 -1.752835 Rho 0.3596918E-01 |GRAD(Rho)| 0.1966762E-16 GRAD(Rho)x 0.1139852E-16 GRAD(Rho)y -0.1582745E-16 GRAD(Rho)z 0.2526064E-17 Laplacian 0.1367693E+00 (-1/4)Del**2(Rho)) -0.3419232E-01 Diamond 0.4402058E-01 Metallicity 0.1974735E+01 Ellipticity 0.4621022E-01 Gb(Abramov) 0.3404834E-01 Vb(Abramov) -0.3390436E-01 Hb(Abramov) 0.1439799E-03 Ex_ueg -0.8769181E-02 Ec_ueg -0.1655419E-02 Delta_ex -0.1035319E-01 Delta_ec 0.4050254E-02 Delta_et -0.3910724E-01 Pxc 0.5297258E+01 Qxc -0.2556184E+01 3,-1 133 3 -1 -3.223049 -0.036357 3.238189 Rho 0.2389805E+00 |GRAD(Rho)| 0.8766869E-15 GRAD(Rho)x 0.7722772E-15 GRAD(Rho)y 0.9700899E-16 GRAD(Rho)z -0.4034316E-15 Laplacian 0.8676624E+00 (-1/4)Del**2(Rho)) -0.2169156E+00 Diamond 0.3055014E+01 Metallicity 0.7309145E+01 Ellipticity 0.1907822E-02 Gb(Abramov) 0.4088550E+00 Vb(Abramov) -0.6007944E+00 Hb(Abramov) -0.1919394E+00 Ex_ueg -0.1095305E+00 Ec_ueg -0.1436867E-01 Delta_ex -0.1047256E+00 Delta_ec 0.1921091E-01 Delta_et -0.2661503E+00 Pxc 0.7622871E+01 Qxc -0.5451361E+01 3,-1 134 3 -1 -2.764106 0.496708 -1.838667 Rho 0.7895687E-01 |GRAD(Rho)| 0.3604348E-15 GRAD(Rho)x -0.1205209E-15 GRAD(Rho)y 0.2036572E-15 GRAD(Rho)z 0.2718671E-15 Laplacian 0.3327945E+00 (-1/4)Del**2(Rho)) -0.8319863E-01 Diamond 0.3117342E+00 Metallicity 0.3008986E+01 Ellipticity 0.3711717E-02 Gb(Abramov) 0.9718968E-01 Vb(Abramov) -0.1111807E+00 Hb(Abramov) -0.1399105E-01 Ex_ueg -0.2501718E-01 Ec_ueg -0.4069089E-02 Delta_ex -0.3073853E-01 Delta_ec 0.9787291E-02 Delta_et -0.1156561E+00 Pxc 0.6148103E+01 Qxc -0.3140658E+01 3,-1 135 3 -1 -2.986096 0.857886 2.025887 Rho 0.1351123E+00 |GRAD(Rho)| 0.2323242E-15 GRAD(Rho)x -0.5594483E-16 GRAD(Rho)y 0.6895526E-16 GRAD(Rho)z -0.2146856E-15 Laplacian 0.5443891E+00 (-1/4)Del**2(Rho)) -0.1360973E+00 Diamond 0.9714386E+00 Metallicity 0.4503276E+01 Ellipticity 0.3510283E-01 Gb(Abramov) 0.1928788E+00 Vb(Abramov) -0.2496603E+00 Hb(Abramov) -0.5678152E-01 Ex_ueg -0.5120491E-01 Ec_ueg -0.7497411E-02 Delta_ex -0.5697127E-01 Delta_ec 0.1413791E-01 Delta_et -0.1852531E+00 Pxc 0.6829679E+01 Qxc -0.4029681E+01 3,-1 136 3 -1 -1.790624 0.494533 -2.825510 Rho 0.1310901E+00 |GRAD(Rho)| 0.5776397E-13 GRAD(Rho)x -0.4080793E-13 GRAD(Rho)y -0.3980299E-13 GRAD(Rho)z 0.9333324E-14 Laplacian 0.5470949E+00 (-1/4)Del**2(Rho)) -0.1367737E+00 Diamond 0.9544545E+00 Metallicity 0.4260890E+01 Ellipticity 0.1410634E-01 Gb(Abramov) 0.1883121E+00 Vb(Abramov) -0.2398505E+00 Hb(Abramov) -0.5153839E-01 Ex_ueg -0.4918261E-01 Ec_ueg -0.7244234E-02 Delta_ex -0.5699223E-01 Delta_ec 0.1458858E-01 Delta_et -0.1907701E+00 Pxc 0.6789208E+01 Qxc -0.3906634E+01 3,-1 137 3 -1 -1.985278 0.854672 3.011743 Rho 0.1460066E+00 |GRAD(Rho)| 0.3883608E-15 GRAD(Rho)x -0.2722025E-15 GRAD(Rho)y -0.2763360E-15 GRAD(Rho)z -0.1919038E-16 Laplacian 0.5740743E+00 (-1/4)Del**2(Rho)) -0.1435186E+00 Diamond 0.1128507E+01 Metallicity 0.4859586E+01 Ellipticity 0.3663875E-01 Gb(Abramov) 0.2119192E+00 Vb(Abramov) -0.2803198E+00 Hb(Abramov) -0.6840062E-01 Ex_ueg -0.5678258E-01 Ec_ueg -0.8188372E-02 Delta_ex -0.6126652E-01 Delta_ec 0.1470457E-01 Delta_et -0.1950931E+00 Pxc 0.6934538E+01 Qxc -0.4166496E+01 3,-1 138 3 +1 -2.126731 1.161965 1.233161 Rho 0.2425921E-01 |GRAD(Rho)| 0.1572075E-16 GRAD(Rho)x -0.1281635E-16 GRAD(Rho)y -0.4062259E-17 GRAD(Rho)z -0.8147473E-17 Laplacian 0.9481668E-01 (-1/4)Del**2(Rho)) -0.2370417E-01 Diamond 0.1260668E-01 Metallicity 0.1477484E+01 Ellipticity -0.5106651E+01 Gb(Abramov) 0.2163987E-01 Vb(Abramov) -0.1957557E-01 Hb(Abramov) 0.2064302E-02 Ex_ueg -0.5186653E-02 Ec_ueg -0.1051489E-02 Delta_ex -0.5930057E-02 Delta_ec 0.1752005E-02 Delta_et -0.1531548E-01 Pxc 0.4932674E+01 Qxc -0.3384726E+01 3,+1 139 3 -1 -0.004807 2.964807 0.014055 Rho 0.5595951E-02 |GRAD(Rho)| 0.2081256E-16 GRAD(Rho)x 0.1324821E-16 GRAD(Rho)y 0.8780174E-18 GRAD(Rho)z 0.1602737E-16 Laplacian 0.2268657E-01 (-1/4)Del**2(Rho)) -0.5671642E-02 Diamond 0.6976615E-03 Metallicity 0.5357565E+00 Ellipticity 0.6406233E+01 Gb(Abramov) 0.4287531E-02 Vb(Abramov) -0.2903420E-02 Hb(Abramov) 0.1384111E-02 Ex_ueg -0.7337536E-03 Ec_ueg -0.1726485E-03 Delta_ex -0.1218555E-02 Delta_ec 0.8315341E-03 Delta_et -0.4624371E-02 Pxc 0.4249986E+01 Qxc -0.1465430E+01 3,-1 140 3 -1 -1.815473 2.762171 -0.567729 Rho 0.1389008E+00 |GRAD(Rho)| 0.4564421E-13 GRAD(Rho)x -0.3574853E-13 GRAD(Rho)y -0.5395532E-14 GRAD(Rho)z 0.2786260E-13 Laplacian 0.5762320E+00 (-1/4)Del**2(Rho)) -0.1440580E+00 Diamond 0.1070534E+01 Metallicity 0.4455093E+01 Ellipticity 0.1104883E-01 Gb(Abramov) 0.2030040E+00 Vb(Abramov) -0.2619499E+00 Hb(Abramov) -0.5894597E-01 Ex_ueg -0.5312813E-01 Ec_ueg -0.7736833E-02 Delta_ex -0.6079338E-01 Delta_ec 0.1501344E-01 Delta_et -0.1978696E+00 Pxc 0.6866909E+01 Qxc -0.4049263E+01 3,-1 141 3 -1 -0.834994 2.969521 1.969963 Rho 0.1488330E+00 |GRAD(Rho)| 0.3249559E-15 GRAD(Rho)x -0.1424100E-15 GRAD(Rho)y 0.2625667E-15 GRAD(Rho)z -0.1279630E-15 Laplacian 0.5874905E+00 (-1/4)Del**2(Rho)) -0.1468726E+00 Diamond 0.1179057E+01 Metallicity 0.4902804E+01 Ellipticity 0.3837273E-01 Gb(Abramov) 0.2179297E+00 Vb(Abramov) -0.2889868E+00 Hb(Abramov) -0.7105707E-01 Ex_ueg -0.5825289E-01 Ec_ueg -0.8368853E-02 Delta_ex -0.6296620E-01 Delta_ec 0.1492814E-01 Delta_et -0.1984907E+00 Pxc 0.6960678E+01 Qxc -0.4217955E+01 3,-1 142 3 +3 -1.836640 1.823454 1.843866 Rho 0.1226377E-01 |GRAD(Rho)| 0.8925209E-17 GRAD(Rho)x -0.1377758E-17 GRAD(Rho)y -0.8426299E-17 GRAD(Rho)z -0.2599736E-17 Laplacian 0.5611326E-01 (-1/4)Del**2(Rho)) -0.1402832E-01 Diamond 0.1198059E-02 Metallicity 0.8009173E+00 Ellipticity -0.6176867E+00 Gb(Abramov) 0.1122480E-01 Vb(Abramov) -0.8421279E-02 Hb(Abramov) 0.2803518E-02 Ex_ueg -0.2088737E-02 Ec_ueg -0.4717592E-03 Delta_ex -0.2460114E-02 Delta_ec 0.1677699E-03 Delta_et -0.1690434E-02 Pxc 0.4427549E+01 Qxc -0.1466362E+02 3,+3 143 3 +1 1.333964 0.962837 -2.132355 Rho 0.2518738E-01 |GRAD(Rho)| 0.9772272E-15 GRAD(Rho)x 0.3259628E-15 GRAD(Rho)y -0.9180081E-15 GRAD(Rho)z 0.7734558E-16 Laplacian 0.9746183E-01 (-1/4)Del**2(Rho)) -0.2436546E-01 Diamond 0.1254011E-01 Metallicity 0.1530207E+01 Ellipticity -0.3326795E+01 Gb(Abramov) 0.2245767E-01 Vb(Abramov) -0.2054989E-01 Hb(Abramov) 0.1907786E-02 Ex_ueg -0.5452919E-02 Ec_ueg -0.1098153E-02 Delta_ex -0.6037300E-02 Delta_ec 0.1588860E-02 Delta_et -0.1406552E-01 Pxc 0.4965536E+01 Qxc -0.3799769E+01 3,+1 144 3 +1 2.035140 2.013153 -2.001714 Rho 0.1240909E-01 |GRAD(Rho)| 0.9913733E-17 GRAD(Rho)x 0.2156225E-17 GRAD(Rho)y -0.8401046E-17 GRAD(Rho)z 0.4801584E-17 Laplacian 0.5805854E-01 (-1/4)Del**2(Rho)) -0.1451464E-01 Diamond 0.2125282E-02 Metallicity 0.7894296E+00 Ellipticity -0.1216004E+01 Gb(Abramov) 0.1158614E-01 Vb(Abramov) -0.8657639E-02 Hb(Abramov) 0.2928498E-02 Ex_ueg -0.2121802E-02 Ec_ueg -0.4784866E-03 Delta_ex -0.2793378E-02 Delta_ec 0.6003476E-03 Delta_et -0.4654232E-02 Pxc 0.4434401E+01 Qxc -0.4652934E+01 3,+1 145 3 -1 1.992857 -0.833382 3.031445 Rho 0.1578045E+00 |GRAD(Rho)| 0.3344967E-14 GRAD(Rho)x 0.2682506E-14 GRAD(Rho)y 0.1992764E-14 GRAD(Rho)z 0.1478445E-15 Laplacian 0.6211667E+00 (-1/4)Del**2(Rho)) -0.1552917E+00 Diamond 0.1337846E+01 Metallicity 0.5112154E+01 Ellipticity 0.2256075E-01 Gb(Abramov) 0.2358403E+00 Vb(Abramov) -0.3163889E+00 Hb(Abramov) -0.8054861E-01 Ex_ueg -0.6298119E-01 Ec_ueg -0.8944971E-02 Delta_ex -0.6754706E-01 Delta_ec 0.1556136E-01 Delta_et -0.2085718E+00 Pxc 0.7040961E+01 Qxc -0.4340691E+01 3,-1 146 3 -1 1.870433 -0.659459 -3.020117 Rho 0.2360418E+00 |GRAD(Rho)| 0.5863734E-15 GRAD(Rho)x 0.4525460E-15 GRAD(Rho)y 0.2945777E-15 GRAD(Rho)z 0.2286040E-15 Laplacian 0.9030299E+00 (-1/4)Del**2(Rho)) -0.2257575E+00 Diamond 0.3101357E+01 Metallicity 0.6879536E+01 Ellipticity 0.1228324E-01 Gb(Abramov) 0.4093561E+00 Vb(Abramov) -0.5929547E+00 Hb(Abramov) -0.1835986E+00 Ex_ueg -0.1077383E+00 Ec_ueg -0.1416592E-01 Delta_ex -0.1084735E+00 Delta_ec 0.1976402E-01 Delta_et -0.2723780E+00 Pxc 0.7605458E+01 Qxc -0.5488434E+01 3,-1 147 3 -1 1.674944 -0.551476 1.675544 Rho 0.3316186E-01 |GRAD(Rho)| 0.1234371E-15 GRAD(Rho)x -0.8097434E-16 GRAD(Rho)y -0.3672343E-16 GRAD(Rho)z -0.8562275E-16 Laplacian 0.1267054E+00 (-1/4)Del**2(Rho)) -0.3167634E-01 Diamond 0.3544415E-01 Metallicity 0.1861585E+01 Ellipticity 0.5490715E-01 Gb(Abramov) 0.3094560E-01 Vb(Abramov) -0.3021485E-01 Hb(Abramov) 0.7307450E-03 Ex_ueg -0.7868711E-02 Ec_ueg -0.1507823E-02 Delta_ex -0.9322265E-02 Delta_ec 0.3611507E-02 Delta_et -0.3410341E-01 Pxc 0.5218589E+01 Qxc -0.2581268E+01 3,-1 148 3 +3 2.322366 0.003979 0.040435 Rho 0.3984702E-02 |GRAD(Rho)| 0.7883660E-16 GRAD(Rho)x -0.5844065E-16 GRAD(Rho)y -0.2963065E-16 GRAD(Rho)z 0.4383976E-16 Laplacian 0.1667921E-01 (-1/4)Del**2(Rho)) -0.4169802E-02 Diamond 0.1297158E-03 Metallicity 0.4137749E+00 Ellipticity -0.2743239E+00 Gb(Abramov) 0.3067428E-02 Vb(Abramov) -0.1965054E-02 Hb(Abramov) 0.1102374E-02 Ex_ueg -0.4665658E-03 Ec_ueg -0.1034855E-03 Delta_ex -0.5970086E-03 Delta_ec 0.1728871E-03 Delta_et -0.1022040E-02 Pxc 0.4508513E+01 Qxc -0.3453169E+01 3,+3 149 3 -1 2.799681 1.819029 0.588357 Rho 0.1496353E+00 |GRAD(Rho)| 0.1116668E-12 GRAD(Rho)x -0.1267047E-13 GRAD(Rho)y 0.7924117E-13 GRAD(Rho)z -0.7765162E-13 Laplacian 0.6269389E+00 (-1/4)Del**2(Rho)) -0.1567347E+00 Diamond 0.1268927E+01 Metallicity 0.4635656E+01 Ellipticity 0.1486748E-01 Gb(Abramov) 0.2255845E+00 Vb(Abramov) -0.2944343E+00 Hb(Abramov) -0.6884979E-01 Ex_ueg -0.5867192E-01 Ec_ueg -0.8420169E-02 Delta_ex -0.6730849E-01 Delta_ec 0.1595479E-01 Delta_et -0.2124057E+00 Pxc 0.6968021E+01 Qxc -0.4218703E+01 3,-1 150 3 -1 3.008941 1.981310 -0.834503 Rho 0.1855341E+00 |GRAD(Rho)| 0.1512202E-14 GRAD(Rho)x 0.1407918E-14 GRAD(Rho)y 0.5472782E-15 GRAD(Rho)z -0.7077130E-16 Laplacian 0.7259075E+00 (-1/4)Del**2(Rho)) -0.1814769E+00 Diamond 0.1887956E+01 Metallicity 0.5729340E+01 Ellipticity 0.4702185E-01 Gb(Abramov) 0.2942750E+00 Vb(Abramov) -0.4070732E+00 Hb(Abramov) -0.1127982E+00 Ex_ueg -0.7815376E-01 Ec_ueg -0.1075583E-01 Delta_ex -0.8211528E-01 Delta_ec 0.1729159E-01 Delta_et -0.2356568E+00 Pxc 0.7266177E+01 Qxc -0.4748856E+01 3,-1 151 3 -1 -2.993552 -1.995269 -0.845013 Rho 0.1399416E+00 |GRAD(Rho)| 0.1265930E-13 GRAD(Rho)x 0.4185617E-14 GRAD(Rho)y -0.7024749E-14 GRAD(Rho)z 0.9663928E-14 Laplacian 0.5605258E+00 (-1/4)Del**2(Rho)) -0.1401315E+00 Diamond 0.1046953E+01 Metallicity 0.4637271E+01 Ellipticity 0.5342305E-01 Gb(Abramov) 0.2017256E+00 Vb(Abramov) -0.2633196E+00 Hb(Abramov) -0.6159409E-01 Ex_ueg -0.5365963E-01 Ec_ueg -0.7802776E-02 Delta_ex -0.5920241E-01 Delta_ec 0.1450401E-01 Delta_et -0.1912216E+00 Pxc 0.6876992E+01 Qxc -0.4081797E+01 3,-1 152 3 -1 -2.802996 -1.780634 0.594060 Rho 0.1346493E+00 |GRAD(Rho)| 0.2074709E-13 GRAD(Rho)x 0.3165843E-14 GRAD(Rho)y -0.1568121E-13 GRAD(Rho)z -0.1321056E-13 Laplacian 0.5634869E+00 (-1/4)Del**2(Rho)) -0.1408717E+00 Diamond 0.1003616E+01 Metallicity 0.4325830E+01 Ellipticity 0.1141822E-01 Gb(Abramov) 0.1954790E+00 Vb(Abramov) -0.2500863E+00 Hb(Abramov) -0.5460728E-01 Ex_ueg -0.5097108E-01 Ec_ueg -0.7468212E-02 Delta_ex -0.5894655E-01 Delta_ec 0.1469196E-01 Delta_et -0.1925003E+00 Pxc 0.6825071E+01 Qxc -0.4012165E+01 3,-1 153 3 -1 0.302804 -0.423913 0.330929 Rho 0.1993773E+00 |GRAD(Rho)| 0.3376340E-11 GRAD(Rho)x -0.1884350E-11 GRAD(Rho)y 0.2111128E-11 GRAD(Rho)z -0.1841748E-11 Laplacian 0.6827096E+00 (-1/4)Del**2(Rho)) -0.1706774E+00 Diamond 0.2157792E+01 Metallicity 0.6868104E+01 Ellipticity 0.8920268E-02 Gb(Abramov) 0.3091566E+00 Vb(Abramov) -0.4476358E+00 Hb(Abramov) -0.1384792E+00 Ex_ueg -0.8602397E-01 Ec_ueg -0.1167636E-01 Delta_ex -0.8016643E-01 Delta_ec 0.1864885E-01 Delta_et -0.2651124E+00 Pxc 0.7367363E+01 Qxc -0.4298733E+01 3,-1 154 3 +3 1.833804 1.781780 -1.800565 Rho 0.1181866E-01 |GRAD(Rho)| 0.3188758E-16 GRAD(Rho)x -0.2182344E-16 GRAD(Rho)y 0.8518609E-17 GRAD(Rho)z -0.2163304E-16 Laplacian 0.5360057E-01 (-1/4)Del**2(Rho)) -0.1340014E-01 Diamond 0.1107897E-02 Metallicity 0.7883589E+00 Ellipticity -0.4746576E+00 Gb(Abramov) 0.1069412E-01 Vb(Abramov) -0.7988089E-02 Hb(Abramov) 0.2706027E-02 Ex_ueg -0.1988273E-02 Ec_ueg -0.4512041E-03 Delta_ex -0.2330571E-02 Delta_ec 0.1715764E-03 Delta_et -0.1687791E-02 Pxc 0.4406593E+01 Qxc -0.1358328E+02 3,+3 155 3 +1 2.082935 -1.367640 1.018666 Rho 0.2290682E-01 |GRAD(Rho)| 0.3735301E-16 GRAD(Rho)x -0.3401615E-16 GRAD(Rho)y -0.1934531E-17 GRAD(Rho)z -0.1531035E-16 Laplacian 0.8859036E-01 (-1/4)Del**2(Rho)) -0.2214759E-01 Diamond 0.1028529E-01 Metallicity 0.1437148E+01 Ellipticity -0.3346919E+01 Gb(Abramov) 0.2006995E-01 Vb(Abramov) -0.1799232E-01 Hb(Abramov) 0.2077636E-02 Ex_ueg -0.4804758E-02 Ec_ueg -0.9839145E-03 Delta_ex -0.5384507E-02 Delta_ec 0.1505979E-02 Delta_et -0.1300960E-01 Pxc 0.4883309E+01 Qxc -0.3575420E+01 3,+1 156 3 -1 -2.803041 1.777437 -0.558493 Rho 0.1889722E+00 |GRAD(Rho)| 0.7326780E-15 GRAD(Rho)x 0.2365865E-15 GRAD(Rho)y 0.6082916E-15 GRAD(Rho)z 0.3329043E-15 Laplacian 0.7731733E+00 (-1/4)Del**2(Rho)) -0.1932933E+00 Diamond 0.2038505E+01 Metallicity 0.5546249E+01 Ellipticity 0.1910558E-01 Gb(Abramov) 0.3075377E+00 Vb(Abramov) -0.4217821E+00 Hb(Abramov) -0.1142444E+00 Ex_ueg -0.8009071E-01 Ec_ueg -0.1098344E-01 Delta_ex -0.8774370E-01 Delta_ec 0.1810195E-01 Delta_et -0.2464042E+00 Pxc 0.7291951E+01 Qxc -0.4847196E+01 3,-1 157 3 -1 -3.000094 1.969663 0.858938 Rho 0.1418700E+00 |GRAD(Rho)| 0.3766587E-15 GRAD(Rho)x -0.1863947E-15 GRAD(Rho)y 0.1929338E-15 GRAD(Rho)z -0.2643963E-15 Laplacian 0.5575601E+00 (-1/4)Del**2(Rho)) -0.1393900E+00 Diamond 0.1063454E+01 Metallicity 0.4769497E+01 Ellipticity 0.2916490E-01 Gb(Abramov) 0.2037301E+00 Vb(Abramov) -0.2680701E+00 Hb(Abramov) -0.6434004E-01 Ex_ueg -0.5464779E-01 Ec_ueg -0.7925127E-02 Delta_ex -0.5913712E-01 Delta_ec 0.1447075E-01 Delta_et -0.1913697E+00 Pxc 0.6895510E+01 Qxc -0.4086667E+01 3,-1 158 3 -1 -1.861897 -2.786415 0.618116 Rho 0.1542143E+00 |GRAD(Rho)| 0.2088794E-16 GRAD(Rho)x 0.1713039E-16 GRAD(Rho)y -0.1162807E-16 GRAD(Rho)z -0.2764716E-17 Laplacian 0.6385674E+00 (-1/4)Del**2(Rho)) -0.1596418E+00 Diamond 0.1336160E+01 Metallicity 0.4785722E+01 Ellipticity 0.1860927E-01 Gb(Abramov) 0.2337615E+00 Vb(Abramov) -0.3078811E+00 Hb(Abramov) -0.7411964E-01 Ex_ueg -0.6107797E-01 Ec_ueg -0.8713833E-02 Delta_ex -0.6902947E-01 Delta_ec 0.1606145E-01 Delta_et -0.2145516E+00 Pxc 0.7009311E+01 Qxc -0.4297836E+01 3,-1 159 3 +3 -0.089003 -2.417693 -0.114338 Rho 0.3723376E-02 |GRAD(Rho)| 0.1064637E-13 GRAD(Rho)x 0.9302387E-14 GRAD(Rho)y -0.4710276E-14 GRAD(Rho)z -0.2150379E-14 Laplacian 0.1514659E-01 (-1/4)Del**2(Rho)) -0.3786647E-02 Diamond 0.9441846E-04 Metallicity 0.4069364E+00 Ellipticity -0.2449414E+00 Gb(Abramov) 0.2781252E-02 Vb(Abramov) -0.1775857E-02 Hb(Abramov) 0.1005395E-02 Ex_ueg -0.4262205E-03 Ec_ueg -0.9239506E-04 Delta_ex -0.5151916E-03 Delta_ec 0.1249496E-03 Delta_et -0.7663900E-03 Pxc 0.4613022E+01 Qxc -0.4123194E+01 3,+3 160 3 -1 1.824297 2.778650 0.556759 Rho 0.1218650E+00 |GRAD(Rho)| 0.9590856E-13 GRAD(Rho)x 0.7651766E-13 GRAD(Rho)y -0.9414358E-14 GRAD(Rho)z -0.5705146E-13 Laplacian 0.5130666E+00 (-1/4)Del**2(Rho)) -0.1282667E+00 Diamond 0.8117198E+00 Metallicity 0.4023195E+01 Ellipticity 0.1272677E-01 Gb(Abramov) 0.1715181E+00 Vb(Abramov) -0.2147695E+00 Hb(Abramov) -0.4325141E-01 Ex_ueg -0.4462283E-01 Ec_ueg -0.6667627E-02 Delta_ex -0.5241445E-01 Delta_ec 0.1372536E-01 Delta_et -0.1769505E+00 Pxc 0.6692460E+01 Qxc -0.3818802E+01 3,-1 161 3 -1 1.968832 0.784478 -2.998196 Rho 0.1253930E+00 |GRAD(Rho)| 0.6845267E-15 GRAD(Rho)x -0.3882664E-15 GRAD(Rho)y 0.5462211E-15 GRAD(Rho)z -0.1395300E-15 Laplacian 0.4872029E+00 (-1/4)Del**2(Rho)) -0.1218007E+00 Diamond 0.8059102E+00 Metallicity 0.4443161E+01 Ellipticity 0.2033671E-01 Gb(Abramov) 0.1713972E+00 Vb(Abramov) -0.2209937E+00 Hb(Abramov) -0.4959647E-01 Ex_ueg -0.4635352E-01 Ec_ueg -0.6887462E-02 Delta_ex -0.5021711E-01 Delta_ec 0.1313163E-01 Delta_et -0.1704473E+00 Pxc 0.6730131E+01 Qxc -0.3824134E+01 3,-1 162 3 -1 1.808828 0.545383 2.776631 Rho 0.1236161E+00 |GRAD(Rho)| 0.4607190E-14 GRAD(Rho)x 0.3393824E-14 GRAD(Rho)y -0.3075638E-14 GRAD(Rho)z -0.4986144E-15 Laplacian 0.5140769E+00 (-1/4)Del**2(Rho)) -0.1285192E+00 Diamond 0.8270556E+00 Metallicity 0.4111911E+01 Ellipticity 0.1665229E-01 Gb(Abramov) 0.1737561E+00 Vb(Abramov) -0.2189929E+00 Hb(Abramov) -0.4523686E-01 Ex_ueg -0.4547981E-01 Ec_ueg -0.6776637E-02 Delta_ex -0.5269280E-01 Delta_ec 0.1369876E-01 Delta_et -0.1770269E+00 Pxc 0.6711266E+01 Qxc -0.3846539E+01 3,-1 163 3 -1 -3.223650 3.164244 -0.079419 Rho 0.2358128E+00 |GRAD(Rho)| 0.3566692E-13 GRAD(Rho)x -0.1105832E-14 GRAD(Rho)y 0.3112257E-13 GRAD(Rho)z 0.1738655E-13 Laplacian 0.8595410E+00 (-1/4)Del**2(Rho)) -0.2148853E+00 Diamond 0.2974871E+01 Metallicity 0.7215929E+01 Ellipticity 0.6904251E-02 Gb(Abramov) 0.4016896E+00 Vb(Abramov) -0.5884940E+00 Hb(Abramov) -0.1868044E+00 Ex_ueg -0.1075990E+00 Ec_ueg -0.1415015E-01 Delta_ex -0.1033668E+00 Delta_ec 0.1907367E-01 Delta_et -0.2639771E+00 Pxc 0.7604092E+01 Qxc -0.5419345E+01 3,-1 164 3 -1 0.029612 -3.347493 -1.250641 Rho 0.3700276E-01 |GRAD(Rho)| 0.4885324E-16 GRAD(Rho)x 0.4545039E-16 GRAD(Rho)y 0.1786297E-16 GRAD(Rho)z 0.1347359E-17 Laplacian 0.1101385E+00 (-1/4)Del**2(Rho)) -0.2753463E-01 Diamond 0.5884992E-01 Metallicity 0.2570776E+01 Ellipticity 0.6597547E-02 Gb(Abramov) 0.3015398E-01 Vb(Abramov) -0.3277333E-01 Hb(Abramov) -0.2619351E-02 Ex_ueg -0.9106761E-02 Ec_ueg -0.1710162E-02 Delta_ex -0.9812725E-02 Delta_ec 0.5791050E-02 Delta_et -0.5651321E-01 Pxc 0.5325088E+01 Qxc -0.1694464E+01 3,-1 165 3 -1 -0.622470 -2.806311 1.873496 Rho 0.1205299E+00 |GRAD(Rho)| 0.1727196E-13 GRAD(Rho)x 0.1468213E-14 GRAD(Rho)y -0.9103483E-14 GRAD(Rho)z 0.1460450E-13 Laplacian 0.5237855E+00 (-1/4)Del**2(Rho)) -0.1309464E+00 Diamond 0.8453360E+00 Metallicity 0.3869169E+01 Ellipticity 0.7611520E-02 Gb(Abramov) 0.1717399E+00 Vb(Abramov) -0.2125333E+00 Hb(Abramov) -0.4079348E-01 Ex_ueg -0.4397219E-01 Ec_ueg -0.6584657E-02 Delta_ex -0.5373651E-01 Delta_ec 0.1470443E-01 Delta_et -0.1902957E+00 Pxc 0.6677978E+01 Qxc -0.3654443E+01 3,-1 166 3 -1 -0.056425 -3.238772 3.284988 Rho 0.2162343E+00 |GRAD(Rho)| 0.2384988E-14 GRAD(Rho)x 0.6211665E-15 GRAD(Rho)y -0.2258935E-14 GRAD(Rho)z 0.4466913E-15 Laplacian 0.8051128E+00 (-1/4)Del**2(Rho)) -0.2012782E+00 Diamond 0.2509752E+01 Metallicity 0.6667514E+01 Ellipticity 0.1814598E-02 Gb(Abramov) 0.3578563E+00 Vb(Abramov) -0.5144345E+00 Hb(Abramov) -0.1565781E+00 Ex_ueg -0.9585565E-01 Ec_ueg -0.1281175E-01 Delta_ex -0.9466390E-01 Delta_ec 0.1830925E-01 Delta_et -0.2522759E+00 Pxc 0.7481856E+01 Qxc -0.5170276E+01 3,-1 167 3 -1 2.787642 0.572855 1.834848 Rho 0.1315895E+00 |GRAD(Rho)| 0.9219355E-16 GRAD(Rho)x 0.2981217E-16 GRAD(Rho)y 0.8483882E-16 GRAD(Rho)z 0.2032879E-16 Laplacian 0.5582489E+00 (-1/4)Del**2(Rho)) -0.1395622E+00 Diamond 0.9716351E+00 Metallicity 0.4202303E+01 Ellipticity 0.1176199E-01 Gb(Abramov) 0.1907886E+00 Vb(Abramov) -0.2420150E+00 Hb(Abramov) -0.5122639E-01 Ex_ueg -0.4943260E-01 Ec_ueg -0.7275612E-02 Delta_ex -0.5812746E-01 Delta_ec 0.1472985E-01 Delta_et -0.1924715E+00 Pxc 0.6794287E+01 Qxc -0.3946235E+01 3,-1 168 3 -1 2.980560 -0.851393 1.983886 Rho 0.1803584E+00 |GRAD(Rho)| 0.3700064E-14 GRAD(Rho)x -0.1155488E-14 GRAD(Rho)y 0.2742706E-14 GRAD(Rho)z 0.2198383E-14 Laplacian 0.7044164E+00 (-1/4)Del**2(Rho)) -0.1761041E+00 Diamond 0.1771292E+01 Metallicity 0.5632193E+01 Ellipticity 0.5249350E-01 Gb(Abramov) 0.2827115E+00 Vb(Abramov) -0.3893188E+00 Hb(Abramov) -0.1066074E+00 Ex_ueg -0.7526045E-01 Ec_ueg -0.1041445E-01 Delta_ex -0.7912022E-01 Delta_ec 0.1691249E-01 Delta_et -0.2298628E+00 Pxc 0.7226538E+01 Qxc -0.4678213E+01 3,-1 169 3 -1 -0.611488 -1.817649 2.865189 Rho 0.1109360E+00 |GRAD(Rho)| 0.1762650E-13 GRAD(Rho)x 0.1160420E-13 GRAD(Rho)y -0.1294594E-13 GRAD(Rho)z -0.2904937E-14 Laplacian 0.4831851E+00 (-1/4)Del**2(Rho)) -0.1207963E+00 Diamond 0.7094617E+00 Metallicity 0.3652754E+01 Ellipticity 0.2050858E-01 Gb(Abramov) 0.1540707E+00 Vb(Abramov) -0.1873451E+00 Hb(Abramov) -0.3327443E-01 Ex_ueg -0.3936846E-01 Ec_ueg -0.5992149E-02 Delta_ex -0.4867120E-01 Delta_ec 0.1392019E-01 Delta_et -0.1774945E+00 Pxc 0.6570006E+01 Qxc -0.3496447E+01 3,-1 170 3 -1 0.871678 -3.015142 2.042929 Rho 0.1252576E+00 |GRAD(Rho)| 0.4245183E-15 GRAD(Rho)x 0.1575617E-15 GRAD(Rho)y 0.1991408E-15 GRAD(Rho)z 0.3401955E-15 Laplacian 0.5210377E+00 (-1/4)Del**2(Rho)) -0.1302594E+00 Diamond 0.8724081E+00 Metallicity 0.4147159E+01 Ellipticity 0.2728125E-01 Gb(Abramov) 0.1768741E+00 Vb(Abramov) -0.2234887E+00 Hb(Abramov) -0.4661462E-01 Ex_ueg -0.4628679E-01 Ec_ueg -0.6879009E-02 Delta_ex -0.5383824E-01 Delta_ec 0.1431060E-01 Delta_et -0.1861717E+00 Pxc 0.6728701E+01 Qxc -0.3762124E+01 3,-1 171 3 -1 -0.567916 2.763383 -1.776319 Rho 0.1412549E+00 |GRAD(Rho)| 0.3208183E-15 GRAD(Rho)x -0.2429968E-15 GRAD(Rho)y 0.1352068E-15 GRAD(Rho)z 0.1599876E-15 Laplacian 0.5894720E+00 (-1/4)Del**2(Rho)) -0.1473680E+00 Diamond 0.1109192E+01 Metallicity 0.4478741E+01 Ellipticity 0.1016283E-01 Gb(Abramov) 0.2082492E+00 Vb(Abramov) -0.2691304E+00 Hb(Abramov) -0.6088119E-01 Ex_ueg -0.5433210E-01 Ec_ueg -0.7886075E-02 Delta_ex -0.6235562E-01 Delta_ec 0.1513644E-01 Delta_et -0.1996679E+00 Pxc 0.6889626E+01 Qxc -0.4119569E+01 3,-1 172 3 -1 -1.994170 2.943163 0.834662 Rho 0.1231368E+00 |GRAD(Rho)| 0.2238974E-13 GRAD(Rho)x -0.1173545E-13 GRAD(Rho)y -0.9263586E-14 GRAD(Rho)z -0.1666630E-13 Laplacian 0.4930947E+00 (-1/4)Del**2(Rho)) -0.1232737E+00 Diamond 0.7867028E+00 Metallicity 0.4259209E+01 Ellipticity 0.1809840E-01 Gb(Abramov) 0.1696905E+00 Vb(Abramov) -0.2161074E+00 Hb(Abramov) -0.4641684E-01 Ex_ueg -0.4524480E-01 Ec_ueg -0.6746774E-02 Delta_ex -0.5045759E-01 Delta_ec 0.1308456E-01 Delta_et -0.1688630E+00 Pxc 0.6706139E+01 Qxc -0.3856269E+01 3,-1 173 3 -1 0.082274 3.197764 3.176125 Rho 0.2379107E+00 |GRAD(Rho)| 0.4048368E-15 GRAD(Rho)x -0.4170113E-16 GRAD(Rho)y 0.2927346E-17 GRAD(Rho)z 0.4026727E-15 Laplacian 0.8687568E+00 (-1/4)Del**2(Rho)) -0.2171892E+00 Diamond 0.3039481E+01 Metallicity 0.7245555E+01 Ellipticity 0.2419703E-02 Gb(Abramov) 0.4070689E+00 Vb(Abramov) -0.5969485E+00 Hb(Abramov) -0.1898797E+00 Ex_ueg -0.1088772E+00 Ec_ueg -0.1429481E-01 Delta_ex -0.1047193E+00 Delta_ec 0.1923264E-01 Delta_et -0.2662858E+00 Pxc 0.7616558E+01 Qxc -0.5444877E+01 3,-1 174 3 -1 2.727911 -0.655924 -1.837739 Rho 0.1483138E+00 |GRAD(Rho)| 0.4447234E-15 GRAD(Rho)x 0.1293250E-15 GRAD(Rho)y -0.8683104E-16 GRAD(Rho)z 0.4165505E-15 Laplacian 0.6071712E+00 (-1/4)Del**2(Rho)) -0.1517928E+00 Diamond 0.1219543E+01 Metallicity 0.4716336E+01 Ellipticity 0.7843850E-02 Gb(Abramov) 0.2205128E+00 Vb(Abramov) -0.2892329E+00 Hb(Abramov) -0.6872004E-01 Ex_ueg -0.5798210E-01 Ec_ueg -0.8335662E-02 Delta_ex -0.6508133E-01 Delta_ec 0.1555157E-01 Delta_et -0.2069282E+00 Pxc 0.6955908E+01 Qxc -0.4184871E+01 3,-1 175 3 -1 -0.777867 -3.418761 -1.330128 Rho 0.3112325E+00 |GRAD(Rho)| 0.3679695E-15 GRAD(Rho)x 0.2248241E-15 GRAD(Rho)y -0.1228924E-15 GRAD(Rho)z 0.2641082E-15 Laplacian -0.1600158E+01 (-1/4)Del**2(Rho)) 0.4000396E+00 Diamond 0.5415354E+01 Metallicity -0.6155431E+01 Ellipticity 0.1754733E-02 Gb(Abramov) 0.1437096E+00 Vb(Abramov) -0.6874588E+00 Hb(Abramov) -0.5437492E+00 Ex_ueg -0.1557752E+00 Ec_ueg -0.1950240E-01 Delta_ex 0.1575932E+00 Delta_ec 0.5587481E-01 Delta_et -0.1311107E+01 Pxc 0.7987487E+01 Qxc 0.2820469E+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 81 169 165 123 170 166 153 80 85 78 88 112 171 116 119 121 111 115 120 109 141 173 94 96 89 97 90 95 100 149 160 150 127 99 105 156 140 157 172 163 57 152 158 151 61 56 63 134 136 62 60 103 64 102 67 135 137 133 147 167 162 168 145 129 132 174 146 131 161 130 122 72 139 164 175 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 21 21 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 36 27 52 52 2.490160 2.025675 1.993087 2.013096 1.987347 1.783919 1.564986 1.546778 1.570732 1.576304 2.413079 1.913006 1.937537 1.921047 1.949915 1.744287 2.440723 1.908940 1.895921 1.978324 1.927727 1.746810 2.469975 1.961254 1.773425 2.152277 1.935615 1.755820 2.557893 1.913352 1.995544 1.841191 1.951125 1.746551 2.469390 1.827051 1.944134 1.945669 2.002456 1.750301 2.381498 1.955870 1.905025 1.949999 1.935777 1.744710 2.402163 2.171172 1.963754 1.952227 1.755440 1.758423 2.482666 1.935052 1.879395 1.963785 1.934461 1.745211 2.546794 1.962859 1.990737 1.852018 1.903254 1.746774 2.509322 1.917770 1.749845 2.176935 1.994600 1.758437 3.064087 3.160554 3.249694 1.766108 1.004092 2.491528 2.025866 1.993368 2.013489 1.987765 1.783920 1.565017 1.546883 1.570767 1.576312 2.414361 1.913458 1.938029 1.921630 1.950482 1.744294 2.441888 1.909357 1.896332 1.978893 1.928249 1.746816 2.471033 1.961675 1.773506 2.152796 1.936139 1.755847 2.558858 1.913807 1.995944 1.841568 1.951701 1.746563 2.470358 1.827400 1.944470 1.946167 2.003026 1.750316 2.383036 1.956297 1.905334 1.950653 1.936899 1.744721 2.403849 2.171513 1.964176 1.952803 1.755456 1.758449 2.483695 1.935502 1.879716 1.964396 1.935040 1.745217 2.547759 1.963259 1.991167 1.852442 1.903688 1.746784 2.510353 1.918178 1.749878 2.177483 1.995180 1.758473 3.076527 3.162142 3.253455 1.768730 1.004214 29 25 26 25 25 21 21 22 22 22 27 25 24 23 23 23 27 23 29 25 23 22 29 24 23 25 25 25 29 25 23 25 24 25 29 22 23 23 25 23 27 23 23 23 25 21 27 25 27 25 22 24 31 26 27 24 28 23 29 23 23 22 23 22 29 25 22 27 23 24 33 35 35 25 21 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Ta P W 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 H 2.2345 2.3692 2.4516 2.4630 2.3622 2.4316 2.4396 2.4491 2.3776 2.4467 2.4308 2.3349 -1.0406 -0.9880 -1.0456 -1.0484 -0.9639 -0.9930 -0.9322 -0.9750 -0.7734 -0.9669 -0.9791 -0.9692 -0.9677 -0.9831 -0.9642 -0.8415 -0.9593 -1.0032 -0.9550 -0.9881 -0.9959 -0.9894 -0.9832 -0.8031 -0.8083 -0.9877 -1.0146 -0.9808 -0.9190 -0.8515 -0.8113 -0.8217 -0.8471 -0.8232 -0.8318 -0.8132 -0.8464 -0.8191 -0.8247 0.3184 2.1014 2.5156 2.0965 2.0911 2.1309 2.0983 2.0944 2.1171 2.1298 2.0960 2.1028 2.1315 1.8950 1.8987 1.8956 1.8924 1.9310 1.9298 1.9405 1.9298 1.9654 1.9308 1.9294 1.9313 1.9304 1.9280 1.9316 1.9608 1.9431 1.9381 1.9443 1.9389 1.9366 1.9387 1.9390 1.9569 1.8754 1.9392 1.9352 1.9382 1.9449 1.9561 1.9623 1.9603 1.9572 1.9608 1.9593 1.9618 1.9553 1.9618 1.9608 0.5319 6.0760 7.2931 6.1001 6.0920 6.1179 6.1000 6.0970 6.1065 6.0998 6.1002 6.1021 6.1191 5.1071 5.0498 5.1110 5.1167 5.0038 5.0339 4.9616 5.0155 4.7726 5.0073 5.0204 5.0096 5.0077 5.0269 5.0030 4.8480 4.9862 5.0341 4.9804 5.0181 5.0293 5.0195 5.0132 4.8132 4.9028 5.0186 5.0501 5.0112 4.9463 4.8631 4.8144 4.8273 4.8572 4.8282 4.8389 4.8172 4.8588 4.8229 4.8298 0.1497 2.5538 0.8222 3.3221 3.3240 3.3604 3.3407 3.3395 3.2977 3.3643 3.3276 3.3350 3.3862 0.0385 0.0395 0.0390 0.0393 0.0291 0.0294 0.0301 0.0297 0.0354 0.0288 0.0293 0.0283 0.0296 0.0281 0.0295 0.0328 0.0300 0.0310 0.0303 0.0311 0.0300 0.0312 0.0310 0.0330 0.0301 0.0300 0.0293 0.0315 0.0277 0.0323 0.0345 0.0341 0.0326 0.0342 0.0335 0.0342 0.0324 0.0343 0.0341 0.0000 14.0344 0.0000 14.0297 14.0297 14.0286 14.0294 14.0296 14.0295 14.0286 14.0295 14.0293 14.0283 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Ta P W 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 H 2.372173 2.007029 2.516764 2.510579 2.477955 2.500476 2.498351 2.531171 2.494605 2.506044 2.500926 2.465806 -1.029353 -0.980090 -1.026196 -1.035588 -0.973639 -0.987434 -0.955750 -0.976260 -0.837694 -0.978586 -0.971256 -0.983940 -0.976062 -0.991399 -0.974189 -0.814272 -0.964290 -0.971258 -0.961875 -0.973641 -0.990630 -0.969955 -0.970693 -0.855531 -0.632409 -0.976746 -1.004643 -0.969073 -0.993633 -0.900929 -0.849490 -0.863303 -0.895547 -0.864039 -0.875638 -0.851035 -0.893577 -0.858391 -0.866010 0.062164 1.850203 1.588646 1.937959 1.933259 1.916281 1.930943 1.923723 1.957803 1.941878 1.932072 1.935706 1.927817 -0.733011 -0.702289 -0.729023 -0.736308 -0.726580 -0.731230 -0.744091 -0.729883 -0.728915 -0.736499 -0.717570 -0.760961 -0.730835 -0.752832 -0.739364 -0.678218 -0.810930 -0.783515 -0.811842 -0.800149 -0.825030 -0.794362 -0.800417 -0.762893 -0.816049 -0.811534 -0.831844 -0.793950 -0.924530 -0.817899 -0.760702 -0.774368 -0.813072 -0.772674 -0.786199 -0.754042 -0.815375 -0.768203 -0.775158 0.306053 1.963759 1.541155 2.048394 2.042993 2.013424 2.036496 2.029973 2.076775 2.037336 2.042544 2.042242 2.017176 -0.799712 -0.777981 -0.797858 -0.806770 -0.811940 -0.808920 -0.801933 -0.816099 -0.735386 -0.815534 -0.810843 -0.828200 -0.805762 -0.862756 -0.813695 -0.742694 -0.839510 -0.825051 -0.836741 -0.842335 -0.853572 -0.843348 -0.835588 -0.746828 -0.814964 -0.848381 -0.882177 -0.826912 -0.896742 -0.791820 -0.726284 -0.740118 -0.780566 -0.740861 -0.752504 -0.733210 -0.798466 -0.732447 -0.743116 0.375356 -0.17855761 2.81775506 -1.46846442 3.18245410 -9.53892632 4.73721590 -2.67988701 10.79348270 22.66739761 -1.25455638 -385.0534 406.2120 -15.7347 -411.0138 -58.2762 -463.8662 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 Apr29-2024 04:42:48 Nodes: 1 Procs: 1 0 Apr29-2024 04:42:49 Nodes: 1 Procs: 1 Apr29-2024 04:42:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr29-2024 04:42:50 Nodes: 1 Procs: 1 Apr29-2024 04:42:51 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr29-2024 04:42:52 Nodes: 1 Procs: 1 Apr29-2024 04:42:53 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr29-2024 04:42:53 Nodes: 1 Procs: 1 Apr29-2024 04:42:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr29-2024 04:42:56 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -16.38228205 -16.82177082 -16.69139097 -16.78568349 -16.93681937 -16.97918536 -17.01423946 -17.01852167 -17.02780954 -17.03499378 -17.02734975 -17.03659114 -17.04201205 -17.04271629 -17.04433830 -17.04461462 -17.04519053 -17.04590600 -17.04636275 -17.04659750 -17.04666830 -17.04671200 -17.04673004 -17.04675203 -17.04675721 -17.04676969 GEOMETRY CONVERGED