ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.05 2.05 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.07 1.98 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:26 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.58 0.07 2.01 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.46 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:49 Hydrogen (TZP) c3-9 c3-9 c3-9 c3-9 c3-9 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.09 3.16 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 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2.558320 2.500947 -0.018361 -2.651678 0.938092 -1.038372 0.916647 -1.071365 -1.036268 -1.046244 0.959827 0.900361 -1.028196 -0.973445 0.948065 0.966034 -2.980389 -1.120204 1.157654 2.992485 -1.168876 -1.155026 -2.998854 1.127920 -1.082531 2.980231 1.184045 1.199865 1.350970 -1.146165 -3.329941 1.104946 1.146715 2.996881 -1.150444 1.139680 -2.995073 -1.165376 -1.145595 3.052684 -1.131253 2.992060 -1.109476 -1.196653 -3.001437 1.219591 1.153690 3.036268 1.155267 1.190824 -3.255647 -1.047314 3.369714 -1.480373 1.558923 -3.455726 -1.577122 -1.561679 3.446338 1.551034 -1.457388 -3.422981 1.504753 1.570022 1.450411 -1.479590 3.453974 1.547941 1.565579 -3.398939 -1.518479 1.524291 3.456557 -1.848094 -1.411545 -3.817760 -1.578462 -3.669670 -1.259272 -1.523352 3.388403 1.541074 1.533686 -3.426994 1.613743 1.494248 3.414303 -1.461875 -0.240250 -3.773735 3.788976 3.884004 -0.145536 -3.721496 -0.216325 3.740388 -3.706899 0.248337 3.786494 3.742840 3.782899 -3.746826 -0.170946 3.780749 3.764327 0.223836 -3.772056 3.702984 -0.218046 -3.894052 -3.627937 0.267745 -3.886168 0.379162 -3.610547 -3.727342 -0.207037 3.805119 3.701430 0.201407 3.794614 -0.601715 -3.450281 -1.257567 1 3 -3 0.091258 -2.606511 2.555177 Rho 0.1240649E+06 3,-3 2 3 -3 -0.067849 2.599562 2.519603 Rho 0.1240649E+06 3,-3 3 3 -3 -0.073540 -0.078213 -0.072088 Rho 0.4276086E+05 3,-3 4 3 -3 0.115249 2.511908 -2.520141 Rho 0.4361414E+07 3,-3 5 3 -3 2.459285 -2.614801 0.011042 Rho 0.4361414E+07 3,-3 6 3 -3 2.613292 2.523472 -0.138192 Rho 0.4361415E+07 3,-3 7 3 -3 -2.575238 2.466966 0.085346 Rho 0.4361414E+07 3,-3 8 3 -3 -2.619362 -2.506486 -0.112310 Rho 0.4361414E+07 3,-3 9 3 -3 -2.517056 -0.235385 -2.703385 Rho 0.4361414E+07 3,-3 10 3 -3 -2.501371 0.136240 2.616778 Rho 0.4361414E+07 3,-3 11 3 -3 2.524845 -0.146721 2.558320 Rho 0.4361414E+07 3,-3 12 3 -3 2.500947 -0.018361 -2.651678 Rho 0.4361415E+07 3,-3 13 3 -3 0.938092 -1.038372 0.916647 Rho 0.3190260E+03 3,-3 14 3 -3 -1.071365 -1.036268 -1.046244 Rho 0.3190782E+03 3,-3 15 3 -3 0.959827 0.900361 -1.028196 Rho 0.3190243E+03 3,-3 16 3 -3 -0.973445 0.948065 0.966034 Rho 0.3190166E+03 3,-3 17 3 -3 -2.980389 -1.120204 1.157654 Rho 0.3188757E+03 3,-3 18 3 -3 2.992485 -1.168876 -1.155026 Rho 0.3188086E+03 3,-3 19 3 -3 -2.998854 1.127920 -1.082531 Rho 0.3189977E+03 3,-3 20 3 -3 2.980231 1.184045 1.199865 Rho 0.3188475E+03 3,-3 21 3 -3 1.350970 -1.146165 -3.329941 Rho 0.3193407E+03 3,-3 22 3 -3 1.104946 1.146715 2.996881 Rho 0.3189465E+03 3,-3 23 3 -3 -1.150444 1.139680 -2.995073 Rho 0.3188228E+03 3,-3 24 3 -3 -1.165376 -1.145595 3.052684 Rho 0.3189333E+03 3,-3 25 3 -3 -1.131253 2.992060 -1.109476 Rho 0.3188590E+03 3,-3 26 3 -3 -1.196653 -3.001437 1.219591 Rho 0.3189627E+03 3,-3 27 3 -3 1.153690 3.036268 1.155267 Rho 0.3189764E+03 3,-3 28 3 -3 1.190824 -3.255647 -1.047314 Rho 0.3192321E+03 3,-3 29 3 -3 3.369714 -1.480373 1.558923 Rho 0.3190085E+03 3,-3 30 3 -3 -3.455726 -1.577122 -1.561679 Rho 0.3189207E+03 3,-3 31 3 -3 3.446338 1.551034 -1.457388 Rho 0.3190426E+03 3,-3 32 3 -3 -3.422981 1.504753 1.570022 Rho 0.3189459E+03 3,-3 33 3 -3 1.450411 -1.479590 3.453974 Rho 0.3189976E+03 3,-3 34 3 -3 1.547941 1.565579 -3.398939 Rho 0.3189296E+03 3,-3 35 3 -3 -1.518479 1.524291 3.456557 Rho 0.3190099E+03 3,-3 36 3 -3 -1.848094 -1.411545 -3.817760 Rho 0.3192887E+03 3,-3 37 3 -3 -1.578462 -3.669670 -1.259272 Rho 0.3187260E+03 3,-3 38 3 -3 -1.523352 3.388403 1.541074 Rho 0.3190338E+03 3,-3 39 3 -3 1.533686 -3.426994 1.613743 Rho 0.3190278E+03 3,-3 40 3 -3 1.494248 3.414303 -1.461875 Rho 0.3189325E+03 3,-3 41 3 -3 -0.240250 -3.773735 3.788976 Rho 0.3194471E+03 3,-3 42 3 -3 3.884004 -0.145536 -3.721496 Rho 0.3192530E+03 3,-3 43 3 -3 -0.216325 3.740388 -3.706899 Rho 0.3193142E+03 3,-3 44 3 -3 0.248337 3.786494 3.742840 Rho 0.3194285E+03 3,-3 45 3 -3 3.782899 -3.746826 -0.170946 Rho 0.3192640E+03 3,-3 46 3 -3 3.780749 3.764327 0.223836 Rho 0.3192985E+03 3,-3 47 3 -3 -3.772056 3.702984 -0.218046 Rho 0.3192807E+03 3,-3 48 3 -3 -3.894052 -3.627937 0.267745 Rho 0.3193168E+03 3,-3 49 3 -3 -3.886168 0.379162 -3.610547 Rho 0.3192573E+03 3,-3 50 3 -3 -3.727342 -0.207037 3.805119 Rho 0.3193053E+03 3,-3 51 3 -3 3.701430 0.201407 3.794614 Rho 0.3193001E+03 3,-3 52 3 -3 -0.601715 -3.450281 -1.257567 Rho 0.4352760E+00 3,-3 53 3 +1 -1.671297 -0.541568 0.528162 Rho 0.9926581E-02 |GRAD(Rho)| 0.1415469E-14 GRAD(Rho)x 0.7518625E-15 GRAD(Rho)y -0.4417854E-15 GRAD(Rho)z -0.1114936E-14 Laplacian 0.3789849E-01 (-1/4)Del**2(Rho)) -0.9474622E-02 Diamond 0.1243628E-02 Metallicity 0.8336635E+00 Ellipticity -0.1550196E+01 Gb(Abramov) 0.7632856E-02 Vb(Abramov) -0.5791089E-02 Hb(Abramov) 0.1841766E-02 Ex_ueg -0.1575619E-02 Ec_ueg -0.3647192E-03 Delta_ex -0.1799586E-02 Delta_ec 0.5400491E-03 Delta_et -0.3823995E-02 Pxc 0.4320089E+01 Qxc -0.3332263E+01 3,+1 54 3 +1 -2.238414 -1.166403 -1.412642 Rho 0.3121349E-01 |GRAD(Rho)| 0.1200108E-13 GRAD(Rho)x -0.5664117E-14 GRAD(Rho)y 0.4917438E-14 GRAD(Rho)z -0.9368159E-14 Laplacian 0.1288518E+00 (-1/4)Del**2(Rho)) -0.3221296E-01 Diamond 0.2326406E-01 Metallicity 0.1654854E+01 Ellipticity -0.4583046E+01 Gb(Abramov) 0.3035993E-01 Vb(Abramov) -0.2850691E-01 Hb(Abramov) 0.1853028E-02 Ex_ueg -0.7258410E-02 Ec_ueg -0.1406369E-02 Delta_ex -0.8537833E-02 Delta_ec 0.2241713E-02 Delta_et -0.2086713E-01 Pxc 0.5161100E+01 Qxc -0.3808621E+01 3,+1 55 3 -1 -3.308238 -3.112797 0.091687 Rho 0.2419964E+00 |GRAD(Rho)| 0.1028378E-14 GRAD(Rho)x 0.7746625E-15 GRAD(Rho)y 0.6122490E-15 GRAD(Rho)z -0.2874220E-15 Laplacian 0.9035574E+00 (-1/4)Del**2(Rho)) -0.2258894E+00 Diamond 0.3207717E+01 Metallicity 0.7167024E+01 Ellipticity 0.1150138E-02 Gb(Abramov) 0.4204186E+00 Vb(Abramov) -0.6149479E+00 Hb(Abramov) -0.1945293E+00 Ex_ueg -0.1113774E+00 Ec_ueg -0.1457723E-01 Delta_ex -0.1092997E+00 Delta_ec 0.1972395E-01 Delta_et -0.2724495E+00 Pxc 0.7640503E+01 Qxc -0.5541474E+01 3,-1 56 3 +1 0.072865 -3.046344 0.161005 Rho 0.5306383E-02 |GRAD(Rho)| 0.3505547E-15 GRAD(Rho)x -0.9812135E-16 GRAD(Rho)y -0.3223810E-15 GRAD(Rho)z -0.9659866E-16 Laplacian 0.2123982E-01 (-1/4)Del**2(Rho)) -0.5309954E-02 Diamond 0.5489980E-03 Metallicity 0.5237532E+00 Ellipticity -0.4456620E+01 Gb(Abramov) 0.4003487E-02 Vb(Abramov) -0.2697020E-02 Hb(Abramov) 0.1306467E-02 Ex_ueg -0.6835702E-03 Ec_ueg -0.1601214E-03 Delta_ex -0.1078944E-02 Delta_ec 0.6878935E-03 Delta_et -0.3795465E-02 Pxc 0.4269074E+01 Qxc -0.1568475E+01 3,+1 57 3 -1 -1.738443 1.673056 0.517281 Rho 0.4929348E-01 |GRAD(Rho)| 0.2532245E-12 GRAD(Rho)x 0.6586390E-13 GRAD(Rho)y 0.1476775E-12 GRAD(Rho)z -0.1948742E-12 Laplacian 0.1979393E+00 (-1/4)Del**2(Rho)) -0.4948482E-01 Diamond 0.9761394E-01 Metallicity 0.2307086E+01 Ellipticity 0.1440144E-01 Gb(Abramov) 0.5201750E-01 Vb(Abramov) -0.5455018E-01 Hb(Abramov) -0.2532680E-02 Ex_ueg -0.1334866E-01 Ec_ueg -0.2375858E-02 Delta_ex -0.1619930E-01 Delta_ec 0.5835355E-02 Delta_et -0.6128699E-01 Pxc 0.5618460E+01 Qxc -0.2776060E+01 3,-1 58 3 -1 -0.513690 1.741422 1.710901 Rho 0.3969274E-01 |GRAD(Rho)| 0.9522760E-16 GRAD(Rho)x -0.7763142E-16 GRAD(Rho)y 0.3648086E-16 GRAD(Rho)z -0.4136189E-16 Laplacian 0.1654926E+00 (-1/4)Del**2(Rho)) -0.4137316E-01 Diamond 0.6269300E-01 Metallicity 0.1923179E+01 Ellipticity 0.3739456E-01 Gb(Abramov) 0.4084344E-01 Vb(Abramov) -0.4031372E-01 Hb(Abramov) 0.5297200E-03 Ex_ueg -0.9999998E-02 Ec_ueg -0.1853597E-02 Delta_ex -0.1294120E-01 Delta_ec 0.5085496E-02 Delta_et -0.5045211E-01 Pxc 0.5394914E+01 Qxc -0.2544728E+01 3,-1 59 3 +1 -0.535288 1.611939 -0.557153 Rho 0.9073569E-02 |GRAD(Rho)| 0.6053930E-15 GRAD(Rho)x -0.5675157E-15 GRAD(Rho)y -0.5777334E-17 GRAD(Rho)z 0.2106969E-15 Laplacian 0.3504438E-01 (-1/4)Del**2(Rho)) -0.8761095E-02 Diamond 0.9781247E-03 Metallicity 0.7761727E+00 Ellipticity -0.1442659E+01 Gb(Abramov) 0.6974084E-02 Vb(Abramov) -0.5187073E-02 Hb(Abramov) 0.1787011E-02 Ex_ueg -0.1397728E-02 Ec_ueg -0.3262184E-03 Delta_ex -0.1609963E-02 Delta_ec 0.4700523E-03 Delta_et -0.3275724E-02 Pxc 0.4284638E+01 Qxc -0.3425073E+01 3,+1 60 3 +1 -2.888623 -0.296783 -0.292806 Rho 0.5989069E-02 |GRAD(Rho)| 0.6298091E-17 GRAD(Rho)x 0.1525474E-17 GRAD(Rho)y 0.5373883E-17 GRAD(Rho)z -0.2908653E-17 Laplacian 0.2488863E-01 (-1/4)Del**2(Rho)) -0.6222157E-02 Diamond 0.5321797E-03 Metallicity 0.5468620E+00 Ellipticity -0.1458468E+01 Gb(Abramov) 0.4715215E-02 Vb(Abramov) -0.3208273E-02 Hb(Abramov) 0.1506942E-02 Ex_ueg -0.8032748E-03 Ec_ueg -0.1897217E-03 Delta_ex -0.1130275E-02 Delta_ec 0.5130143E-03 Delta_et -0.3047792E-02 Pxc 0.4233964E+01 Qxc -0.2203204E+01 3,+1 61 3 +1 -2.895288 0.211878 0.258953 Rho 0.6338880E-02 |GRAD(Rho)| 0.1593389E-15 GRAD(Rho)x -0.1352654E-16 GRAD(Rho)y 0.1146481E-15 GRAD(Rho)z 0.1098259E-15 Laplacian 0.2668949E-01 (-1/4)Del**2(Rho)) -0.6672372E-02 Diamond 0.7478756E-03 Metallicity 0.5605665E+00 Ellipticity -0.2159070E+01 Gb(Abramov) 0.5071633E-02 Vb(Abramov) -0.3470894E-02 Hb(Abramov) 0.1600739E-02 Ex_ueg -0.8664333E-03 Ec_ueg -0.2049776E-03 Delta_ex -0.1316798E-02 Delta_ec 0.7092532E-03 Delta_et -0.4186839E-02 Pxc 0.4226965E+01 Qxc -0.1856598E+01 3,+1 62 3 -1 -3.257356 0.096378 -3.192370 Rho 0.2338157E+00 |GRAD(Rho)| 0.6652054E-15 GRAD(Rho)x 0.4705437E-15 GRAD(Rho)y -0.3042542E-15 GRAD(Rho)z 0.3584914E-15 Laplacian 0.8653868E+00 (-1/4)Del**2(Rho)) -0.2163467E+00 Diamond 0.2960880E+01 Metallicity 0.7066307E+01 Ellipticity 0.2257095E-01 Gb(Abramov) 0.3990265E+00 Vb(Abramov) -0.5817063E+00 Hb(Abramov) -0.1826798E+00 Ex_ueg -0.1063857E+00 Ec_ueg -0.1401266E-01 Delta_ex -0.1038189E+00 Delta_ec 0.1921474E-01 Delta_et -0.2656834E+00 Pxc 0.7592115E+01 Qxc -0.5403086E+01 3,-1 63 3 -1 -2.909025 0.034966 0.069067 Rho 0.6420980E-02 |GRAD(Rho)| 0.3069431E-15 GRAD(Rho)x 0.6771475E-16 GRAD(Rho)y 0.1973750E-15 GRAD(Rho)z 0.2251042E-15 Laplacian 0.2567213E-01 (-1/4)Del**2(Rho)) -0.6418033E-02 Diamond 0.9688927E-03 Metallicity 0.5954154E+00 Ellipticity 0.1230097E+01 Gb(Abramov) 0.4915588E-02 Vb(Abramov) -0.3413143E-02 Hb(Abramov) 0.1502445E-02 Ex_ueg -0.8814279E-03 Ec_ueg -0.2085667E-03 Delta_ex -0.1427665E-02 Delta_ec 0.9636236E-03 Delta_et -0.5579944E-02 Pxc 0.4226120E+01 Qxc -0.1481559E+01 3,-1 64 3 -1 -3.164141 -0.048601 3.258881 Rho 0.2411319E+00 |GRAD(Rho)| 0.5005551E-13 GRAD(Rho)x 0.3524329E-13 GRAD(Rho)y 0.1021039E-13 GRAD(Rho)z -0.3404720E-13 Laplacian 0.8865090E+00 (-1/4)Del**2(Rho)) -0.2216272E+00 Diamond 0.3145083E+01 Metallicity 0.7261414E+01 Ellipticity 0.1643372E-02 Gb(Abramov) 0.4159727E+00 Vb(Abramov) -0.6103182E+00 Hb(Abramov) -0.1943455E+00 Ex_ueg -0.1108472E+00 Ec_ueg -0.1451740E-01 Delta_ex -0.1071974E+00 Delta_ec 0.1948034E-01 Delta_et -0.2695411E+00 Pxc 0.7635473E+01 Qxc -0.5502854E+01 3,-1 65 3 -1 -1.704622 0.530257 1.752563 Rho 0.4741787E-01 |GRAD(Rho)| 0.1017943E-15 GRAD(Rho)x 0.6652893E-16 GRAD(Rho)y 0.4259369E-16 GRAD(Rho)z -0.6420086E-16 Laplacian 0.1903706E+00 (-1/4)Del**2(Rho)) -0.4759264E-01 Diamond 0.8893854E-01 Metallicity 0.2248624E+01 Ellipticity 0.1273437E-01 Gb(Abramov) 0.4956475E-01 Vb(Abramov) -0.5153687E-01 Hb(Abramov) -0.1972111E-02 Ex_ueg -0.1267577E-01 Ec_ueg -0.2272648E-02 Delta_ex -0.1542296E-01 Delta_ec 0.5603994E-02 Delta_et -0.5826020E-01 Pxc 0.5577534E+01 Qxc -0.2752137E+01 3,-1 66 3 -1 -1.805790 -1.730269 -0.563802 Rho 0.5486104E-01 |GRAD(Rho)| 0.1119558E-11 GRAD(Rho)x 0.7260186E-12 GRAD(Rho)y -0.8434347E-12 GRAD(Rho)z -0.1221709E-12 Laplacian 0.2197600E+00 (-1/4)Del**2(Rho)) -0.5493999E-01 Diamond 0.1258998E+00 Metallicity 0.2483732E+01 Ellipticity 0.1728256E-01 Gb(Abramov) 0.5936936E-01 Vb(Abramov) -0.6379873E-01 Hb(Abramov) -0.4429369E-02 Ex_ueg -0.1539585E-01 Ec_ueg -0.2685285E-02 Delta_ex -0.1849978E-01 Delta_ec 0.6510838E-02 Delta_et -0.7031421E-01 Pxc 0.5733415E+01 Qxc -0.2841382E+01 3,-1 67 3 -1 -3.045548 -2.001602 -0.887409 Rho 0.1537380E+00 |GRAD(Rho)| 0.1903504E-15 GRAD(Rho)x 0.1015220E-15 GRAD(Rho)y 0.8605855E-17 GRAD(Rho)z -0.1607872E-15 Laplacian 0.5996246E+00 (-1/4)Del**2(Rho)) -0.1499062E+00 Diamond 0.1254369E+01 Metallicity 0.5070326E+01 Ellipticity 0.7137813E-01 Gb(Abramov) 0.2266163E+00 Vb(Abramov) -0.3033264E+00 Hb(Abramov) -0.7671013E-01 Ex_ueg -0.6082659E-01 Ec_ueg -0.8683230E-02 Delta_ex -0.6481217E-01 Delta_ec 0.1516844E-01 Delta_et -0.2027177E+00 Pxc 0.7005065E+01 Qxc -0.4272832E+01 3,-1 68 3 -1 -2.974681 0.861455 2.046946 Rho 0.1391774E+00 |GRAD(Rho)| 0.2503543E-15 GRAD(Rho)x 0.1181374E-15 GRAD(Rho)y -0.2006994E-15 GRAD(Rho)z 0.9187258E-16 Laplacian 0.5497316E+00 (-1/4)Del**2(Rho)) -0.1374329E+00 Diamond 0.1018170E+01 Metallicity 0.4685367E+01 Ellipticity 0.4203709E-01 Gb(Abramov) 0.1989426E+00 Vb(Abramov) -0.2604522E+00 Hb(Abramov) -0.6150964E-01 Ex_ueg -0.5326926E-01 Ec_ueg -0.7754353E-02 Delta_ex -0.5796423E-01 Delta_ec 0.1420652E-01 Delta_et -0.1870674E+00 Pxc 0.6869595E+01 Qxc -0.4080115E+01 3,-1 69 3 +1 0.540410 1.666196 0.474799 Rho 0.7372382E-02 |GRAD(Rho)| 0.1049844E-12 GRAD(Rho)x 0.7568919E-13 GRAD(Rho)y 0.7034027E-13 GRAD(Rho)z 0.1857732E-13 Laplacian 0.2871502E-01 (-1/4)Del**2(Rho)) -0.7178756E-02 Diamond 0.6361776E-03 Metallicity 0.6701680E+00 Ellipticity -0.1409149E+01 Gb(Abramov) 0.5587666E-02 Vb(Abramov) -0.3996576E-02 Hb(Abramov) 0.1591090E-02 Ex_ueg -0.1059731E-02 Ec_ueg -0.2503925E-03 Delta_ex -0.1269240E-02 Delta_ec 0.4169947E-03 Delta_et -0.2727978E-02 Pxc 0.4232278E+01 Qxc -0.3043780E+01 3,+1 70 3 +3 -1.133549 1.091050 -1.141018 Rho 0.5568385E-02 |GRAD(Rho)| 0.1290689E-13 GRAD(Rho)x 0.2313762E-14 GRAD(Rho)y -0.1239333E-13 GRAD(Rho)z 0.2764021E-14 Laplacian 0.2157050E-01 (-1/4)Del**2(Rho)) -0.5392625E-02 Diamond 0.1671470E-03 Metallicity 0.5588582E+00 Ellipticity -0.2485213E+00 Gb(Abramov) 0.4097369E-02 Vb(Abramov) -0.2802113E-02 Hb(Abramov) 0.1295256E-02 Ex_ueg -0.7289382E-03 Ec_ueg -0.1714541E-03 Delta_ex -0.7619445E-03 Delta_ec 0.8431326E-04 Delta_et -0.7102346E-03 Pxc 0.4251506E+01 Qxc -0.9037066E+01 3,+3 71 3 +1 -2.175989 1.195972 1.257146 Rho 0.2827669E-01 |GRAD(Rho)| 0.4502060E-16 GRAD(Rho)x 0.3815555E-16 GRAD(Rho)y -0.1681832E-16 GRAD(Rho)z -0.1697508E-16 Laplacian 0.1129561E+00 (-1/4)Del**2(Rho)) -0.2823902E-01 Diamond 0.1829941E-01 Metallicity 0.1601098E+01 Ellipticity -0.5866599E+01 Gb(Abramov) 0.2636159E-01 Vb(Abramov) -0.2448415E-01 Hb(Abramov) 0.1877435E-02 Ex_ueg -0.6362432E-02 Ec_ueg -0.1255064E-02 Delta_ex -0.7334399E-02 Delta_ec 0.2047569E-02 Delta_et -0.1860309E-01 Pxc 0.5069407E+01 Qxc -0.3582003E+01 3,+1 72 3 +1 -1.756359 -1.733063 1.793269 Rho 0.1237546E-01 |GRAD(Rho)| 0.1683521E-13 GRAD(Rho)x 0.4161600E-14 GRAD(Rho)y 0.8893281E-14 GRAD(Rho)z 0.1367535E-13 Laplacian 0.6200289E-01 (-1/4)Del**2(Rho)) -0.1550072E-01 Diamond 0.2555939E-02 Metallicity 0.7358740E+00 Ellipticity -0.1244947E+01 Gb(Abramov) 0.1223491E-01 Vb(Abramov) -0.8969101E-02 Hb(Abramov) 0.3265811E-02 Ex_ueg -0.2114139E-02 Ec_ueg -0.4769292E-03 Delta_ex -0.3062692E-02 Delta_ec 0.7870821E-03 Delta_et -0.5959763E-02 Pxc 0.4432815E+01 Qxc -0.3891198E+01 3,+1 73 3 -1 -3.007031 1.947252 0.875572 Rho 0.1366243E+00 |GRAD(Rho)| 0.2712593E-15 GRAD(Rho)x -0.1074106E-15 GRAD(Rho)y 0.2488108E-15 GRAD(Rho)z -0.1173649E-16 Laplacian 0.5318790E+00 (-1/4)Del**2(Rho)) -0.1329698E+00 Diamond 0.9698465E+00 Metallicity 0.4695484E+01 Ellipticity 0.3345163E-01 Gb(Abramov) 0.1927061E+00 Vb(Abramov) -0.2524424E+00 Hb(Abramov) -0.5973630E-01 Ex_ueg -0.5197036E-01 Ec_ueg -0.7592857E-02 Delta_ex -0.5590236E-01 Delta_ec 0.1393617E-01 Delta_et -0.1832476E+00 Pxc 0.6844639E+01 Qxc -0.4011315E+01 3,-1 74 3 +1 -1.997482 2.001487 2.037333 Rho 0.1241379E-01 |GRAD(Rho)| 0.1479742E-16 GRAD(Rho)x 0.1387550E-17 GRAD(Rho)y -0.1462487E-16 GRAD(Rho)z 0.1775272E-17 Laplacian 0.5826930E-01 (-1/4)Del**2(Rho)) -0.1456733E-01 Diamond 0.1887841E-02 Metallicity 0.7870713E+00 Ellipticity -0.1101027E+01 Gb(Abramov) 0.1162247E-01 Vb(Abramov) -0.8677616E-02 Hb(Abramov) 0.2944854E-02 Ex_ueg -0.2122874E-02 Ec_ueg -0.4787046E-03 Delta_ex -0.2735787E-02 Delta_ec 0.4810809E-03 Delta_et -0.3844921E-02 Pxc 0.4434623E+01 Qxc -0.5686749E+01 3,+1 75 3 -1 -2.996942 -0.942235 -2.085423 Rho 0.1252413E+00 |GRAD(Rho)| 0.1760702E-09 GRAD(Rho)x -0.8010616E-10 GRAD(Rho)y -0.1180611E-09 GRAD(Rho)z 0.1031761E-09 Laplacian 0.4783668E+00 (-1/4)Del**2(Rho)) -0.1195917E+00 Diamond 0.7939224E+00 Metallicity 0.4516110E+01 Ellipticity 0.2935017E-01 Gb(Abramov) 0.1697427E+00 Vb(Abramov) -0.2198937E+00 Hb(Abramov) -0.5015098E-01 Ex_ueg -0.4627875E-01 Ec_ueg -0.6877990E-02 Delta_ex -0.4933997E-01 Delta_ec 0.1298262E-01 Delta_et -0.1686261E+00 Pxc 0.6728529E+01 Qxc -0.3800463E+01 3,-1 76 3 -1 -2.793381 -1.766676 0.568121 Rho 0.1492018E+00 |GRAD(Rho)| 0.3159777E-15 GRAD(Rho)x 0.4723056E-17 GRAD(Rho)y 0.1386966E-15 GRAD(Rho)z 0.2838712E-15 Laplacian 0.6275776E+00 (-1/4)Del**2(Rho)) -0.1568944E+00 Diamond 0.1256294E+01 Metallicity 0.4608602E+01 Ellipticity 0.1718527E-01 Gb(Abramov) 0.2251069E+00 Vb(Abramov) -0.2933194E+00 Hb(Abramov) -0.6821252E-01 Ex_ueg -0.5844543E-01 Ec_ueg -0.8392439E-02 Delta_ex -0.6723370E-01 Delta_ec 0.1581222E-01 Delta_et -0.2100331E+00 Pxc 0.6964058E+01 Qxc -0.4252010E+01 3,-1 77 3 -1 -2.739975 -0.529387 1.839737 Rho 0.1255620E+00 |GRAD(Rho)| 0.1743845E-12 GRAD(Rho)x 0.4060939E-13 GRAD(Rho)y 0.1155404E-12 GRAD(Rho)z 0.1241421E-12 Laplacian 0.5236848E+00 (-1/4)Del**2(Rho)) -0.1309212E+00 Diamond 0.8603772E+00 Metallicity 0.4142923E+01 Ellipticity 0.1127522E-01 Gb(Abramov) 0.1776802E+00 Vb(Abramov) -0.2244392E+00 Hb(Abramov) -0.4675901E-01 Ex_ueg -0.4643684E-01 Ec_ueg -0.6898014E-02 Delta_ex -0.5390280E-01 Delta_ec 0.1394628E-01 Delta_et -0.1807779E+00 Pxc 0.6731914E+01 Qxc -0.3865031E+01 3,-1 78 3 +1 -1.045847 1.402342 2.175020 Rho 0.2515020E-01 |GRAD(Rho)| 0.9420857E-16 GRAD(Rho)x 0.7312534E-16 GRAD(Rho)y -0.5549842E-16 GRAD(Rho)z -0.2116280E-16 Laplacian 0.9780517E-01 (-1/4)Del**2(Rho)) -0.2445129E-01 Diamond 0.1181308E-01 Metallicity 0.1521086E+01 Ellipticity -0.2632849E+01 Gb(Abramov) 0.2249962E-01 Vb(Abramov) -0.2054794E-01 Hb(Abramov) 0.1951677E-02 Ex_ueg -0.5442190E-02 Ec_ueg -0.1096280E-02 Delta_ex -0.5975829E-02 Delta_ec 0.1451029E-02 Delta_et -0.1287478E-01 Pxc 0.4964235E+01 Qxc -0.4118340E+01 3,+1 79 3 +1 1.652692 0.499812 0.511777 Rho 0.7555428E-02 |GRAD(Rho)| 0.1024617E-16 GRAD(Rho)x -0.7170988E-17 GRAD(Rho)y -0.6249149E-17 GRAD(Rho)z -0.3809087E-17 Laplacian 0.2946249E-01 (-1/4)Del**2(Rho)) -0.7365624E-02 Diamond 0.6744471E-03 Metallicity 0.6804175E+00 Ellipticity -0.1416481E+01 Gb(Abramov) 0.5745699E-02 Vb(Abramov) -0.4125774E-02 Hb(Abramov) 0.1619925E-02 Ex_ueg -0.1094957E-02 Ec_ueg -0.2584883E-03 Delta_ex -0.1310011E-02 Delta_ec 0.4274447E-03 Delta_et -0.2814662E-02 Pxc 0.4236003E+01 Qxc -0.3064750E+01 3,+1 80 3 -1 -2.757330 0.480056 -1.845641 Rho 0.7868472E-01 |GRAD(Rho)| 0.1533777E-13 GRAD(Rho)x 0.2015718E-14 GRAD(Rho)y -0.9364737E-14 GRAD(Rho)z -0.1197855E-13 Laplacian 0.3327773E+00 (-1/4)Del**2(Rho)) -0.8319432E-01 Diamond 0.3098550E+00 Metallicity 0.2991875E+01 Ellipticity 0.6109619E-02 Gb(Abramov) 0.9694739E-01 Vb(Abramov) -0.1107005E+00 Hb(Abramov) -0.1375307E-01 Ex_ueg -0.2490227E-01 Ec_ueg -0.4053108E-02 Delta_ex -0.3069983E-01 Delta_ec 0.9770126E-02 Delta_et -0.1153448E+00 Pxc 0.6143993E+01 Qxc -0.3142215E+01 3,-1 81 3 +3 -2.305076 -0.024179 0.002540 Rho 0.5416652E-02 |GRAD(Rho)| 0.5898163E-17 GRAD(Rho)x -0.4578632E-17 GRAD(Rho)y -0.3293730E-17 GRAD(Rho)z 0.1725052E-17 Laplacian 0.2223013E-01 (-1/4)Del**2(Rho)) -0.5557532E-02 Diamond 0.2344416E-03 Metallicity 0.5178725E+00 Ellipticity -0.4280123E+00 Gb(Abramov) 0.4184703E-02 Vb(Abramov) -0.2811875E-02 Hb(Abramov) 0.1372828E-02 Ex_ueg -0.7025755E-03 Ec_ueg -0.1648869E-03 Delta_ex -0.8364125E-03 Delta_ec 0.1891109E-03 Delta_et -0.1256560E-02 Pxc 0.4260955E+01 Qxc -0.4422867E+01 3,+3 82 3 +1 -1.682878 0.485684 -0.545492 Rho 0.9997338E-02 |GRAD(Rho)| 0.3816284E-16 GRAD(Rho)x 0.3389750E-16 GRAD(Rho)y -0.1566163E-16 GRAD(Rho)z 0.7878737E-17 Laplacian 0.3795940E-01 (-1/4)Del**2(Rho)) -0.9489851E-02 Diamond 0.1267246E-02 Metallicity 0.8422372E+00 Ellipticity -0.1573181E+01 Gb(Abramov) 0.7658685E-02 Vb(Abramov) -0.5827519E-02 Hb(Abramov) 0.1831166E-02 Ex_ueg -0.1590612E-02 Ec_ueg -0.3679268E-03 Delta_ex -0.1809252E-02 Delta_ec 0.5471559E-03 Delta_et -0.3876602E-02 Pxc 0.4323175E+01 Qxc -0.3306649E+01 3,+1 83 3 +1 -1.743949 1.708939 -1.723569 Rho 0.1176158E-01 |GRAD(Rho)| 0.3708235E-16 GRAD(Rho)x 0.2825001E-16 GRAD(Rho)y 0.3223020E-17 GRAD(Rho)z -0.2380441E-16 Laplacian 0.5770621E-01 (-1/4)Del**2(Rho)) -0.1442655E-01 Diamond 0.2251370E-02 Metallicity 0.7263845E+00 Ellipticity -0.1277198E+01 Gb(Abramov) 0.1136424E-01 Vb(Abramov) -0.8301925E-02 Hb(Abramov) 0.3062313E-02 Ex_ueg -0.1975479E-02 Ec_ueg -0.4485738E-03 Delta_ex -0.2822095E-02 Delta_ec 0.7499983E-03 Delta_et -0.5595420E-02 Pxc 0.4403912E+01 Qxc -0.3762802E+01 3,+1 84 3 +1 -0.537585 -0.585903 1.666982 Rho 0.8227103E-02 |GRAD(Rho)| 0.7549394E-17 GRAD(Rho)x -0.7353670E-17 GRAD(Rho)y -0.1214379E-17 GRAD(Rho)z 0.1200901E-17 Laplacian 0.3202952E-01 (-1/4)Del**2(Rho)) -0.8007381E-02 Diamond 0.8055772E-03 Metallicity 0.7213415E+00 Ellipticity -0.1426135E+01 Gb(Abramov) 0.6300930E-02 Vb(Abramov) -0.4594479E-02 Hb(Abramov) 0.1706451E-02 Ex_ueg -0.1226632E-02 Ec_ueg -0.2883267E-03 Delta_ex -0.1446298E-02 Delta_ec 0.4495649E-03 Delta_et -0.3038822E-02 Pxc 0.4254313E+01 Qxc -0.3217107E+01 3,+1 85 3 +3 -1.096744 -1.126881 1.171461 Rho 0.5363642E-02 |GRAD(Rho)| 0.1835503E-14 GRAD(Rho)x 0.1833728E-14 GRAD(Rho)y 0.2744508E-16 GRAD(Rho)z -0.7589179E-16 Laplacian 0.2082927E-01 (-1/4)Del**2(Rho)) -0.5207317E-02 Diamond 0.1573386E-03 Metallicity 0.5437159E+00 Ellipticity -0.1488938E+00 Gb(Abramov) 0.3943428E-02 Vb(Abramov) -0.2679540E-02 Hb(Abramov) 0.1263889E-02 Ex_ueg -0.6934227E-03 Ec_ueg -0.1625952E-03 Delta_ex -0.7314549E-03 Delta_ec 0.8750619E-04 Delta_et -0.7132278E-03 Pxc 0.4264718E+01 Qxc -0.8358893E+01 3,+3 86 3 -1 -2.154473 -0.870891 -3.303466 Rho 0.2336319E+00 |GRAD(Rho)| 0.1441688E-14 GRAD(Rho)x -0.3022214E-15 GRAD(Rho)y 0.1277949E-14 GRAD(Rho)z 0.5949559E-15 Laplacian 0.9013191E+00 (-1/4)Del**2(Rho)) -0.2253298E+00 Diamond 0.3042083E+01 Metallicity 0.6775711E+01 Ellipticity 0.1729130E-01 Gb(Abramov) 0.4046814E+00 Vb(Abramov) -0.5840331E+00 Hb(Abramov) -0.1793517E+00 Ex_ueg -0.1062742E+00 Ec_ueg -0.1400002E-01 Delta_ex -0.1078933E+00 Delta_ec 0.1963477E-01 Delta_et -0.2698468E+00 Pxc 0.7591007E+01 Qxc -0.5495010E+01 3,-1 87 3 -1 -2.788637 1.744131 -0.541793 Rho 0.1889600E+00 |GRAD(Rho)| 0.7427797E-15 GRAD(Rho)x 0.5365446E-16 GRAD(Rho)y 0.4341145E-15 GRAD(Rho)z 0.6003227E-15 Laplacian 0.7753959E+00 (-1/4)Del**2(Rho)) -0.1938490E+00 Diamond 0.2042544E+01 Metallicity 0.5529760E+01 Ellipticity 0.1603267E-01 Gb(Abramov) 0.3078890E+00 Vb(Abramov) -0.4219291E+00 Hb(Abramov) -0.1140401E+00 Ex_ueg -0.8008386E-01 Ec_ueg -0.1098264E-01 Delta_ex -0.8798231E-01 Delta_ec 0.1813255E-01 Delta_et -0.2467485E+00 Pxc 0.7291861E+01 Qxc -0.4852175E+01 3,-1 88 3 -1 -1.785834 -0.550583 2.830322 Rho 0.1542255E+00 |GRAD(Rho)| 0.5528856E-14 GRAD(Rho)x -0.4001221E-14 GRAD(Rho)y 0.3724804E-14 GRAD(Rho)z -0.8272327E-15 Laplacian 0.6465051E+00 (-1/4)Del**2(Rho)) -0.1616263E+00 Diamond 0.1347083E+01 Metallicity 0.4727534E+01 Ellipticity 0.2294942E-01 Gb(Abramov) 0.2350998E+00 Vb(Abramov) -0.3085733E+00 Hb(Abramov) -0.7347352E-01 Ex_ueg -0.6108386E-01 Ec_ueg -0.8714550E-02 Delta_ex -0.6983308E-01 Delta_ec 0.1616134E-01 Delta_et -0.2156489E+00 Pxc 0.7009410E+01 Qxc -0.4320994E+01 3,-1 89 3 -1 -1.789733 0.494093 -2.841782 Rho 0.1321447E+00 |GRAD(Rho)| 0.2901050E-09 GRAD(Rho)x 0.2030606E-09 GRAD(Rho)y 0.2035650E-09 GRAD(Rho)z -0.3858263E-10 Laplacian 0.5493449E+00 (-1/4)Del**2(Rho)) -0.1373362E+00 Diamond 0.9641439E+00 Metallicity 0.4300487E+01 Ellipticity 0.1382958E-01 Gb(Abramov) 0.1899929E+00 Vb(Abramov) -0.2426496E+00 Hb(Abramov) -0.5265671E-01 Ex_ueg -0.4971087E-01 Ec_ueg -0.7310513E-02 Delta_ex -0.5729568E-01 Delta_ec 0.1454683E-01 Delta_et -0.1903355E+00 Pxc 0.6799916E+01 Qxc -0.3938706E+01 3,-1 90 3 +1 -0.592409 0.482167 -1.675747 Rho 0.9451414E-02 |GRAD(Rho)| 0.9019056E-14 GRAD(Rho)x 0.5702127E-14 GRAD(Rho)y -0.3153258E-14 GRAD(Rho)z 0.6235871E-14 Laplacian 0.3671607E-01 (-1/4)Del**2(Rho)) -0.9179019E-02 Diamond 0.1138719E-02 Metallicity 0.7929605E+00 Ellipticity -0.1515620E+01 Gb(Abramov) 0.7332446E-02 Vb(Abramov) -0.5485873E-02 Hb(Abramov) 0.1846573E-02 Ex_ueg -0.1475868E-02 Ec_ueg -0.3432339E-03 Delta_ex -0.1726476E-02 Delta_ec 0.5316532E-03 Delta_et -0.3711015E-02 Pxc 0.4299889E+01 Qxc -0.3247373E+01 3,+1 91 3 -1 0.023844 2.944350 0.013137 Rho 0.5865054E-02 |GRAD(Rho)| 0.2032015E-17 GRAD(Rho)x -0.1368427E-17 GRAD(Rho)y -0.7682551E-19 GRAD(Rho)z -0.1500197E-17 Laplacian 0.2353518E-01 (-1/4)Del**2(Rho)) -0.5883796E-02 Diamond 0.7944512E-03 Metallicity 0.5584902E+00 Ellipticity 0.2212795E+01 Gb(Abramov) 0.4470204E-02 Vb(Abramov) -0.3056613E-02 Hb(Abramov) 0.1413591E-02 Ex_ueg -0.7811739E-03 Ec_ueg -0.1843275E-03 Delta_ex -0.1292911E-02 Delta_ec 0.8941716E-03 Delta_et -0.5033490E-02 Pxc 0.4237968E+01 Qxc -0.1445932E+01 3,-1 92 3 -1 -1.966948 0.877929 3.048040 Rho 0.1610457E+00 |GRAD(Rho)| 0.5107177E-16 GRAD(Rho)x -0.2722703E-16 GRAD(Rho)y 0.2797242E-16 GRAD(Rho)z 0.3293264E-16 Laplacian 0.6290898E+00 (-1/4)Del**2(Rho)) -0.1572725E+00 Diamond 0.1388226E+01 Metallicity 0.5221743E+01 Ellipticity 0.5664451E-01 Gb(Abramov) 0.2417210E+00 Vb(Abramov) -0.3261696E+00 Hb(Abramov) -0.8444857E-01 Ex_ueg -0.6471184E-01 Ec_ueg -0.9154304E-02 Delta_ex -0.6875256E-01 Delta_ec 0.1567617E-01 Delta_et -0.2106523E+00 Pxc 0.7069007E+01 Qxc -0.4385802E+01 3,-1 93 3 +3 2.327137 0.001532 0.018141 Rho 0.4258876E-02 |GRAD(Rho)| 0.2522045E-16 GRAD(Rho)x -0.1765597E-16 GRAD(Rho)y -0.1496834E-16 GRAD(Rho)z 0.1001433E-16 Laplacian 0.1754465E-01 (-1/4)Del**2(Rho)) -0.4386162E-02 Diamond 0.1478634E-03 Metallicity 0.4395013E+00 Ellipticity -0.2320499E+00 Gb(Abramov) 0.3245395E-02 Vb(Abramov) -0.2104628E-02 Hb(Abramov) 0.1140767E-02 Ex_ueg -0.5098531E-03 Ec_ueg -0.1151600E-03 Delta_ex -0.6367959E-03 Delta_ec 0.1788859E-03 Delta_et -0.1078965E-02 Pxc 0.4427347E+01 Qxc -0.3559788E+01 3,+3 94 3 +1 -0.307718 -1.016154 -2.749031 Rho 0.3139835E-02 |GRAD(Rho)| 0.1226810E-14 GRAD(Rho)x -0.6168186E-15 GRAD(Rho)y 0.1600137E-15 GRAD(Rho)z 0.1048328E-14 Laplacian 0.1246167E-01 (-1/4)Del**2(Rho)) -0.3115417E-02 Diamond 0.1132147E-03 Metallicity 0.3722903E+00 Ellipticity -0.1294888E+01 Gb(Abramov) 0.2270251E-02 Vb(Abramov) -0.1425085E-02 Hb(Abramov) 0.8451656E-03 Ex_ueg -0.3395686E-03 Ec_ueg -0.6776217E-04 Delta_ex -0.4949846E-03 Delta_ec 0.2616907E-03 Delta_et -0.1289282E-02 Pxc 0.5011182E+01 Qxc -0.1891487E+01 3,+1 95 3 -1 -2.041363 -3.108553 -0.712214 Rho 0.1482375E+00 |GRAD(Rho)| 0.7141314E-14 GRAD(Rho)x 0.1803679E-14 GRAD(Rho)y -0.6902438E-14 GRAD(Rho)z -0.3185250E-15 Laplacian 0.5529113E+00 (-1/4)Del**2(Rho)) -0.1382278E+00 Diamond 0.1130529E+01 Metallicity 0.5174733E+01 Ellipticity 0.1167243E+00 Gb(Abramov) 0.2113672E+00 Vb(Abramov) -0.2845067E+00 Hb(Abramov) -0.7313941E-01 Ex_ueg -0.5794233E-01 Ec_ueg -0.8330786E-02 Delta_ex -0.5946691E-01 Delta_ec 0.1453684E-01 Delta_et -0.1942526E+00 Pxc 0.6955205E+01 Qxc -0.4090774E+01 3,-1 96 3 -1 -1.861916 -2.751741 0.591387 Rho 0.1176115E+00 |GRAD(Rho)| 0.3357017E-15 GRAD(Rho)x 0.2215432E-15 GRAD(Rho)y 0.6499114E-16 GRAD(Rho)z 0.2437015E-15 Laplacian 0.4836541E+00 (-1/4)Del**2(Rho)) -0.1209135E+00 Diamond 0.7345479E+00 Metallicity 0.4022488E+01 Ellipticity 0.2441366E-01 Gb(Abramov) 0.1616712E+00 Vb(Abramov) -0.2024289E+00 Hb(Abramov) -0.4075770E-01 Ex_ueg -0.4255837E-01 Ec_ueg -0.6403729E-02 Delta_ex -0.4901201E-01 Delta_ec 0.1307962E-01 Delta_et -0.1676331E+00 Pxc 0.6645873E+01 Qxc -0.3747204E+01 3,-1 97 3 +3 -1.911607 1.919106 1.954170 Rho 0.1237431E-01 |GRAD(Rho)| 0.4636141E-15 GRAD(Rho)x 0.2493104E-15 GRAD(Rho)y -0.2734534E-15 GRAD(Rho)z -0.2792949E-15 Laplacian 0.5737534E-01 (-1/4)Del**2(Rho)) -0.1434383E-01 Diamond 0.1476830E-02 Metallicity 0.7951018E+00 Ellipticity -0.8560962E+00 Gb(Abramov) 0.1146336E-01 Vb(Abramov) -0.8582881E-02 Hb(Abramov) 0.2880477E-02 Ex_ueg -0.2113876E-02 Ec_ueg -0.4768758E-03 Delta_ex -0.2587713E-02 Delta_ec 0.2885435E-03 Delta_et -0.2524616E-02 Pxc 0.4432761E+01 Qxc -0.8968189E+01 3,+3 98 3 -1 -1.803524 2.731636 -0.549262 Rho 0.1380223E+00 |GRAD(Rho)| 0.1612021E-12 GRAD(Rho)x -0.1253858E-12 GRAD(Rho)y -0.3063525E-13 GRAD(Rho)z 0.9657123E-13 Laplacian 0.5723388E+00 (-1/4)Del**2(Rho)) -0.1430847E+00 Diamond 0.1053176E+01 Metallicity 0.4438218E+01 Ellipticity 0.1025402E-01 Gb(Abramov) 0.2012300E+00 Vb(Abramov) -0.2593752E+00 Hb(Abramov) -0.5814527E-01 Ex_ueg -0.5268059E-01 Ec_ueg -0.7681233E-02 Delta_ex -0.6026687E-01 Delta_ec 0.1489415E-01 Delta_et -0.1960230E+00 Pxc 0.6858351E+01 Qxc -0.4046344E+01 3,-1 99 3 +1 -0.198294 2.934857 0.231855 Rho 0.5763461E-02 |GRAD(Rho)| 0.7033758E-15 GRAD(Rho)x -0.5039517E-15 GRAD(Rho)y 0.6646621E-16 GRAD(Rho)z 0.4861610E-15 Laplacian 0.2420944E-01 (-1/4)Del**2(Rho)) -0.6052359E-02 Diamond 0.6200870E-03 Metallicity 0.5273521E+00 Ellipticity -0.2165043E+01 Gb(Abramov) 0.4566860E-02 Vb(Abramov) -0.3081361E-02 Hb(Abramov) 0.1485499E-02 Ex_ueg -0.7631844E-03 Ec_ueg -0.1799141E-03 Delta_ex -0.1188799E-02 Delta_ec 0.6754058E-03 Delta_et -0.3862202E-02 Pxc 0.4241937E+01 Qxc -0.1760126E+01 3,+1 100 3 -1 -2.006899 2.937754 0.854766 Rho 0.1187620E+00 |GRAD(Rho)| 0.3025699E-15 GRAD(Rho)x 0.2772847E-16 GRAD(Rho)y 0.2021088E-15 GRAD(Rho)z 0.2234541E-15 Laplacian 0.4713261E+00 (-1/4)Del**2(Rho)) -0.1178315E+00 Diamond 0.7213958E+00 Metallicity 0.4195216E+01 Ellipticity 0.2076249E-01 Gb(Abramov) 0.1609425E+00 Vb(Abramov) -0.2040534E+00 Hb(Abramov) -0.4311093E-01 Ex_ueg -0.4311435E-01 Ec_ueg -0.6474983E-02 Delta_ex -0.4783449E-01 Delta_ec 0.1264807E-01 Delta_et -0.1622706E+00 Pxc 0.6658604E+01 Qxc -0.3781959E+01 3,-1 101 3 +1 -0.269674 -0.504714 -3.193616 Rho 0.3220203E-02 |GRAD(Rho)| 0.1701332E-14 GRAD(Rho)x -0.8378051E-15 GRAD(Rho)y -0.1463251E-14 GRAD(Rho)z -0.2269557E-15 Laplacian 0.1275507E-01 (-1/4)Del**2(Rho)) -0.3188768E-02 Diamond 0.1376691E-03 Metallicity 0.3793752E+00 Ellipticity -0.1481696E+01 Gb(Abramov) 0.2327469E-02 Vb(Abramov) -0.1466169E-02 Hb(Abramov) 0.8612995E-03 Ex_ueg -0.3512066E-03 Ec_ueg -0.7114379E-04 Delta_ex -0.5389787E-03 Delta_ec 0.3208684E-03 Delta_et -0.1559481E-02 Pxc 0.4936575E+01 Qxc -0.1679750E+01 3,+1 102 3 -1 -1.758779 -0.617629 -1.830849 Rho 0.5269329E-01 |GRAD(Rho)| 0.5224259E-15 GRAD(Rho)x -0.3055510E-15 GRAD(Rho)y 0.1712097E-15 GRAD(Rho)z -0.3876268E-15 Laplacian 0.2119133E+00 (-1/4)Del**2(Rho)) -0.5297832E-01 Diamond 0.1171381E+00 Metallicity 0.2408318E+01 Ellipticity 0.1461901E-01 Gb(Abramov) 0.5658365E-01 Vb(Abramov) -0.6018899E-01 Hb(Abramov) -0.3605334E-02 Ex_ueg -0.1459012E-01 Ec_ueg -0.2564281E-02 Delta_ex -0.1774671E-01 Delta_ec 0.6438794E-02 Delta_et -0.6887037E-01 Pxc 0.5689750E+01 Qxc -0.2756216E+01 3,-1 103 3 +1 -0.085288 -2.286450 -1.023454 Rho 0.6658669E-02 |GRAD(Rho)| 0.1244752E-16 GRAD(Rho)x -0.6574721E-17 GRAD(Rho)y 0.1055722E-16 GRAD(Rho)z 0.5088142E-18 Laplacian 0.2618688E-01 (-1/4)Del**2(Rho)) -0.6546721E-02 Diamond 0.8729826E-03 Metallicity 0.6201666E+00 Ellipticity -0.3817639E+01 Gb(Abramov) 0.5041157E-02 Vb(Abramov) -0.3535593E-02 Hb(Abramov) 0.1505564E-02 Ex_ueg -0.9251985E-03 Ec_ueg -0.2189759E-03 Delta_ex -0.1361830E-02 Delta_ec 0.7964095E-03 Delta_et -0.4723473E-02 Pxc 0.4225116E+01 Qxc -0.1709961E+01 3,+1 104 3 +3 0.021525 -0.066377 2.269129 Rho 0.4603209E-02 |GRAD(Rho)| 0.3619970E-17 GRAD(Rho)x -0.1884639E-17 GRAD(Rho)y -0.3051248E-17 GRAD(Rho)z -0.4921423E-18 Laplacian 0.1879802E-01 (-1/4)Del**2(Rho)) -0.4699504E-02 Diamond 0.1516504E-03 Metallicity 0.4669485E+00 Ellipticity -0.3443300E+00 Gb(Abramov) 0.3498741E-02 Vb(Abramov) -0.2297977E-02 Hb(Abramov) 0.1200764E-02 Ex_ueg -0.5655435E-03 Ec_ueg -0.1298774E-03 Delta_ex -0.6704510E-03 Delta_ec 0.1465294E-03 Delta_et -0.9578112E-03 Pxc 0.4354440E+01 Qxc -0.4575538E+01 3,+3 105 3 +1 -0.191989 0.169845 2.946081 Rho 0.5773513E-02 |GRAD(Rho)| 0.4257383E-14 GRAD(Rho)x -0.3328215E-14 GRAD(Rho)y 0.2630598E-14 GRAD(Rho)z 0.3581181E-15 Laplacian 0.2386527E-01 (-1/4)Del**2(Rho)) -0.5966319E-02 Diamond 0.6586943E-03 Metallicity 0.5365131E+00 Ellipticity -0.3201274E+01 Gb(Abramov) 0.4511047E-02 Vb(Abramov) -0.3055775E-02 Hb(Abramov) 0.1455272E-02 Ex_ueg -0.7649597E-03 Ec_ueg -0.1803506E-03 Delta_ex -0.1207567E-02 Delta_ec 0.7287379E-03 Delta_et -0.4141133E-02 Pxc 0.4241515E+01 Qxc -0.1657067E+01 3,+1 106 3 +1 1.631079 -0.576776 -0.568860 Rho 0.8983675E-02 |GRAD(Rho)| 0.9416007E-17 GRAD(Rho)x 0.2113096E-17 GRAD(Rho)y 0.4658886E-17 GRAD(Rho)z -0.7905112E-17 Laplacian 0.3585542E-01 (-1/4)Del**2(Rho)) -0.8963854E-02 Diamond 0.1000434E-02 Metallicity 0.7461310E+00 Ellipticity -0.1418562E+01 Gb(Abramov) 0.7090604E-02 Vb(Abramov) -0.5217355E-02 Hb(Abramov) 0.1873250E-02 Ex_ueg -0.1379295E-02 Ec_ueg -0.3221793E-03 Delta_ex -0.1648627E-02 Delta_ec 0.4909336E-03 Delta_et -0.3404229E-02 Pxc 0.4281140E+01 Qxc -0.3358147E+01 3,+1 107 3 +3 1.070563 1.091810 1.049742 Rho 0.4520764E-02 |GRAD(Rho)| 0.4840026E-17 GRAD(Rho)x 0.1372516E-17 GRAD(Rho)y 0.4291569E-17 GRAD(Rho)z -0.1767621E-17 Laplacian 0.1770099E-01 (-1/4)Del**2(Rho)) -0.4425246E-02 Diamond 0.1157456E-03 Metallicity 0.4811740E+00 Ellipticity -0.1445128E+00 Gb(Abramov) 0.3305050E-02 Vb(Abramov) -0.2184853E-02 Hb(Abramov) 0.1120197E-02 Ex_ueg -0.5520786E-03 Ec_ueg -0.1263480E-03 Delta_ex -0.6032985E-03 Delta_ec 0.9324864E-04 Delta_et -0.6808104E-03 Pxc 0.4369508E+01 Qxc -0.6469784E+01 3,+3 108 3 -1 -0.560033 -0.537835 -0.541215 Rho 0.1886996E+00 |GRAD(Rho)| 0.4638821E-15 GRAD(Rho)x -0.4128642E-15 GRAD(Rho)y -0.1595946E-15 GRAD(Rho)z -0.1387779E-15 Laplacian 0.5088482E+00 (-1/4)Del**2(Rho)) -0.1272121E+00 Diamond 0.1368543E+01 Metallicity 0.8407043E+01 Ellipticity 0.2590544E-01 Gb(Abramov) 0.2630543E+00 Vb(Abramov) -0.3988965E+00 Hb(Abramov) -0.1358422E+00 Ex_ueg -0.7993674E-01 Ec_ueg -0.1096537E-01 Delta_ex -0.5794022E-01 Delta_ec 0.1230136E-01 Delta_et -0.1686707E+00 Pxc 0.7289924E+01 Qxc -0.4710068E+01 3,-1 109 3 +1 0.326190 -1.908141 -0.703643 Rho 0.6323079E-02 |GRAD(Rho)| 0.5126358E-17 GRAD(Rho)x -0.3391953E-17 GRAD(Rho)y 0.3808098E-17 GRAD(Rho)z 0.5221056E-18 Laplacian 0.2459805E-01 (-1/4)Del**2(Rho)) -0.6149513E-02 Diamond 0.6366749E-03 Metallicity 0.6057036E+00 Ellipticity -0.2026985E+01 Gb(Abramov) 0.4720472E-02 Vb(Abramov) -0.3291432E-02 Hb(Abramov) 0.1429041E-02 Ex_ueg -0.8635548E-03 Ec_ueg -0.2042872E-03 Delta_ex -0.1178833E-02 Delta_ec 0.5927209E-03 Delta_et -0.3524603E-02 Pxc 0.4227160E+01 Qxc -0.1988850E+01 3,+1 110 3 +1 0.606843 -1.597767 -1.702056 Rho 0.3025023E-02 |GRAD(Rho)| 0.3966859E-11 GRAD(Rho)x -0.1568013E-11 GRAD(Rho)y -0.9473069E-12 GRAD(Rho)z 0.3518510E-11 Laplacian 0.1167259E-01 (-1/4)Del**2(Rho)) -0.2918146E-02 Diamond 0.7617905E-04 Metallicity 0.3735316E+00 Ellipticity -0.1098365E+01 Gb(Abramov) 0.2127101E-02 Vb(Abramov) -0.1336055E-02 Hb(Abramov) 0.7910455E-03 Ex_ueg -0.3231147E-03 Ec_ueg -0.6293741E-04 Delta_ex -0.4153061E-03 Delta_ec 0.1651241E-03 Delta_et -0.8545664E-03 Pxc 0.5133905E+01 Qxc -0.2515115E+01 3,+1 111 3 -1 -0.063858 0.036558 2.951681 Rho 0.5795599E-02 |GRAD(Rho)| 0.7362645E-18 GRAD(Rho)x -0.6925108E-18 GRAD(Rho)y 0.2348968E-18 GRAD(Rho)z -0.8566046E-19 Laplacian 0.2330381E-01 (-1/4)Del**2(Rho)) -0.5825952E-02 Diamond 0.7626235E-03 Metallicity 0.5529470E+00 Ellipticity 0.2891993E+01 Gb(Abramov) 0.4420875E-02 Vb(Abramov) -0.3015798E-02 Hb(Abramov) 0.1405077E-02 Ex_ueg -0.7688640E-03 Ec_ueg -0.1813097E-03 Delta_ex -0.1268604E-02 Delta_ec 0.8696900E-03 Delta_et -0.4883089E-02 Pxc 0.4240611E+01 Qxc -0.1458686E+01 3,-1 112 3 +1 0.150176 -0.182958 2.970006 Rho 0.5707951E-02 |GRAD(Rho)| 0.1254497E-16 GRAD(Rho)x 0.9948012E-17 GRAD(Rho)y 0.7637808E-17 GRAD(Rho)z 0.2780125E-18 Laplacian 0.2368436E-01 (-1/4)Del**2(Rho)) -0.5921089E-02 Diamond 0.6089951E-03 Metallicity 0.5304184E+00 Ellipticity -0.2303322E+01 Gb(Abramov) 0.4470835E-02 Vb(Abramov) -0.3020581E-02 Hb(Abramov) 0.1450254E-02 Ex_ueg -0.7533995E-03 Ec_ueg -0.1775049E-03 Delta_ex -0.1168659E-02 Delta_ec 0.6749480E-03 Delta_et -0.3842198E-02 Pxc 0.4244388E+01 Qxc -0.1731480E+01 3,+1 113 3 -1 0.007792 -3.388440 -1.174772 Rho 0.3265154E-01 |GRAD(Rho)| 0.5664643E-16 GRAD(Rho)x 0.5436021E-16 GRAD(Rho)y -0.8901073E-17 GRAD(Rho)z 0.1321199E-16 Laplacian 0.1008986E+00 (-1/4)Del**2(Rho)) -0.2522465E-01 Diamond 0.4533009E-01 Metallicity 0.2278071E+01 Ellipticity 0.8174562E-02 Gb(Abramov) 0.2639370E-01 Vb(Abramov) -0.2756274E-01 Hb(Abramov) -0.1169042E-02 Ex_ueg -0.7707672E-02 Ec_ueg -0.1481170E-02 Delta_ex -0.8741301E-02 Delta_ec 0.5279480E-02 Delta_et -0.4962487E-01 Pxc 0.5203772E+01 Qxc -0.1655713E+01 3,-1 114 3 -1 0.503955 -1.790726 1.703171 Rho 0.4205159E-01 |GRAD(Rho)| 0.1406745E-15 GRAD(Rho)x 0.3510539E-16 GRAD(Rho)y -0.7875818E-16 GRAD(Rho)z 0.1111489E-15 Laplacian 0.1749817E+00 (-1/4)Del**2(Rho)) -0.4374543E-01 Diamond 0.7154888E-01 Metallicity 0.2002586E+01 Ellipticity 0.1517305E-01 Gb(Abramov) 0.4376428E-01 Vb(Abramov) -0.4378314E-01 Hb(Abramov) -0.1885441E-04 Ex_ueg -0.1080011E-01 Ec_ueg -0.1980471E-02 Delta_ex -0.1387126E-01 Delta_ec 0.5360656E-02 Delta_et -0.5401753E-01 Pxc 0.5453304E+01 Qxc -0.2587604E+01 3,-1 115 3 -1 -0.594036 -2.793388 1.846619 Rho 0.1466889E+00 |GRAD(Rho)| 0.6307709E-15 GRAD(Rho)x -0.5800346E-15 GRAD(Rho)y -0.2528563E-16 GRAD(Rho)z -0.2465611E-15 Laplacian 0.6141559E+00 (-1/4)Del**2(Rho)) -0.1535390E+00 Diamond 0.1186815E+01 Metallicity 0.4577870E+01 Ellipticity 0.3889524E-01 Gb(Abramov) 0.2195062E+00 Vb(Abramov) -0.2854735E+00 Hb(Abramov) -0.6596725E-01 Ex_ueg -0.5713666E-01 Ec_ueg -0.8231896E-02 Delta_ex -0.6533920E-01 Delta_ec 0.1521364E-01 Delta_et -0.2008706E+00 Pxc 0.6940887E+01 Qxc -0.4294777E+01 3,-1 116 3 +3 1.890051 -1.936149 1.952082 Rho 0.1214386E-01 |GRAD(Rho)| 0.1618783E-16 GRAD(Rho)x -0.1313641E-16 GRAD(Rho)y 0.9191085E-17 GRAD(Rho)z -0.2237107E-17 Laplacian 0.5657058E-01 (-1/4)Del**2(Rho)) -0.1414264E-01 Diamond 0.1449526E-02 Metallicity 0.7815390E+00 Ellipticity -0.8372059E+00 Gb(Abramov) 0.1127060E-01 Vb(Abramov) -0.8398557E-02 Hb(Abramov) 0.2872044E-02 Ex_ueg -0.2061552E-02 Ec_ueg -0.4662143E-03 Delta_ex -0.2546380E-02 Delta_ec 0.3003009E-03 Delta_et -0.2589699E-02 Pxc 0.4421897E+01 Qxc -0.8479428E+01 3,+3 117 3 +3 -0.102562 -2.390384 -0.127666 Rho 0.4123378E-02 |GRAD(Rho)| 0.5406779E-17 GRAD(Rho)x -0.4776023E-17 GRAD(Rho)y -0.1769985E-17 GRAD(Rho)z -0.1813841E-17 Laplacian 0.1664406E-01 (-1/4)Del**2(Rho)) -0.4161015E-02 Diamond 0.1144839E-03 Metallicity 0.4389778E+00 Ellipticity -0.3671425E+00 Gb(Abramov) 0.3078442E-02 Vb(Abramov) -0.1995869E-02 Hb(Abramov) 0.1082573E-02 Ex_ueg -0.4883404E-03 Ec_ueg -0.1093855E-03 Delta_ex -0.5755031E-03 Delta_ec 0.1273026E-03 Delta_et -0.8155127E-03 Pxc 0.4464399E+01 Qxc -0.4520750E+01 3,+3 118 3 +1 -0.627960 -1.684019 0.516229 Rho 0.8906102E-02 |GRAD(Rho)| 0.2163674E-16 GRAD(Rho)x -0.6153598E-17 GRAD(Rho)y -0.1755946E-16 GRAD(Rho)z 0.1104297E-16 Laplacian 0.3366484E-01 (-1/4)Del**2(Rho)) -0.8416210E-02 Diamond 0.9565979E-03 Metallicity 0.7832782E+00 Ellipticity -0.1514481E+01 Gb(Abramov) 0.6709512E-02 Vb(Abramov) -0.5002815E-02 Hb(Abramov) 0.1706698E-02 Ex_ueg -0.1363438E-02 Ec_ueg -0.3186967E-03 Delta_ex -0.1556667E-02 Delta_ec 0.4826946E-03 Delta_et -0.3321753E-02 Pxc 0.4278167E+01 Qxc -0.3224952E+01 3,+1 119 3 +1 2.141974 -1.398300 1.065312 Rho 0.2760540E-01 |GRAD(Rho)| 0.4402772E-16 GRAD(Rho)x 0.2672456E-16 GRAD(Rho)y 0.1259970E-16 GRAD(Rho)z 0.3264178E-16 Laplacian 0.1091708E+00 (-1/4)Del**2(Rho)) -0.2729269E-01 Diamond 0.1622568E-01 Metallicity 0.1591587E+01 Ellipticity -0.3806493E+01 Gb(Abramov) 0.2543491E-01 Vb(Abramov) -0.2357713E-01 Hb(Abramov) 0.1857784E-02 Ex_ueg -0.6161841E-02 Ec_ueg -0.1220766E-02 Delta_ex -0.6959153E-02 Delta_ec 0.1828527E-02 Delta_et -0.1653741E-01 Pxc 0.5047520E+01 Qxc -0.3805880E+01 3,+1 120 3 +3 0.058932 2.241799 -0.000271 Rho 0.4608387E-02 |GRAD(Rho)| 0.5781409E-17 GRAD(Rho)x -0.3788722E-17 GRAD(Rho)y -0.2219510E-17 GRAD(Rho)z -0.3760857E-17 Laplacian 0.1885284E-01 (-1/4)Del**2(Rho)) -0.4713209E-02 Diamond 0.1508997E-03 Metallicity 0.4664639E+00 Ellipticity -0.3011192E+00 Gb(Abramov) 0.3508563E-02 Vb(Abramov) -0.2303917E-02 Hb(Abramov) 0.1204646E-02 Ex_ueg -0.5663918E-03 Ec_ueg -0.1300992E-03 Delta_ex -0.6711279E-03 Delta_ec 0.1443218E-03 Delta_et -0.9479598E-03 Pxc 0.4353538E+01 Qxc -0.4650220E+01 3,+3 121 3 +1 -1.094202 2.142086 1.353890 Rho 0.2727249E-01 |GRAD(Rho)| 0.3365166E-16 GRAD(Rho)x 0.4619790E-17 GRAD(Rho)y -0.3238759E-16 GRAD(Rho)z -0.7882645E-17 Laplacian 0.1099280E+00 (-1/4)Del**2(Rho)) -0.2748200E-01 Diamond 0.1691341E-01 Metallicity 0.1548981E+01 Ellipticity -0.4937458E+01 Gb(Abramov) 0.2541618E-01 Vb(Abramov) -0.2335036E-01 Hb(Abramov) 0.2065817E-02 Ex_ueg -0.6062960E-02 Ec_ueg -0.1203797E-02 Delta_ex -0.7066396E-02 Delta_ec 0.1987301E-02 Delta_et -0.1789643E-01 Pxc 0.5036530E+01 Qxc -0.3555775E+01 3,+1 122 3 -1 -0.829110 2.021765 2.991886 Rho 0.1076613E+00 |GRAD(Rho)| 0.2752882E-15 GRAD(Rho)x -0.2370269E-15 GRAD(Rho)y -0.5955319E-16 GRAD(Rho)z 0.1267094E-15 Laplacian 0.4210728E+00 (-1/4)Del**2(Rho)) -0.1052682E+00 Diamond 0.5670934E+00 Metallicity 0.3987389E+01 Ellipticity 0.2813806E-01 Gb(Abramov) 0.1401363E+00 Vb(Abramov) -0.1750045E+00 Hb(Abramov) -0.3486814E-01 Ex_ueg -0.3782664E-01 Ec_ueg -0.5791437E-02 Delta_ex -0.4166679E-01 Delta_ec 0.1140188E-01 Delta_et -0.1434716E+00 Pxc 0.6531478E+01 Qxc -0.3654380E+01 3,-1 123 3 -1 -0.839061 2.995802 1.991645 Rho 0.1421982E+00 |GRAD(Rho)| 0.8998807E-14 GRAD(Rho)x 0.6829566E-14 GRAD(Rho)y -0.3137932E-14 GRAD(Rho)z 0.4948631E-14 Laplacian 0.5519844E+00 (-1/4)Del**2(Rho)) -0.1379961E+00 Diamond 0.1038316E+01 Metallicity 0.4836263E+01 Ellipticity 0.5489575E-01 Gb(Abramov) 0.2032283E+00 Vb(Abramov) -0.2684605E+00 Hb(Abramov) -0.6523221E-01 Ex_ueg -0.5481641E-01 Ec_ueg -0.7945973E-02 Delta_ex -0.5839226E-01 Delta_ec 0.1398510E-01 Delta_et -0.1843078E+00 Pxc 0.6898640E+01 Qxc -0.4175320E+01 3,-1 124 3 -1 -0.567400 -1.831955 2.800783 Rho 0.1167647E+00 |GRAD(Rho)| 0.3060990E-15 GRAD(Rho)x 0.8763742E-16 GRAD(Rho)y 0.2834240E-15 GRAD(Rho)z -0.7541304E-16 Laplacian 0.4838894E+00 (-1/4)Del**2(Rho)) -0.1209723E+00 Diamond 0.7187469E+00 Metallicity 0.3972402E+01 Ellipticity 0.1881349E-02 Gb(Abramov) 0.1607400E+00 Vb(Abramov) -0.2005077E+00 Hb(Abramov) -0.3976768E-01 Ex_ueg -0.4215029E-01 Ec_ueg -0.6351342E-02 Delta_ex -0.4881548E-01 Delta_ec 0.1286452E-01 Delta_et -0.1642821E+00 Pxc 0.6636439E+01 Qxc -0.3794583E+01 3,-1 125 3 -1 -0.244592 -1.251486 -3.530400 Rho 0.4534468E-02 |GRAD(Rho)| 0.2909272E-17 GRAD(Rho)x -0.2884925E-17 GRAD(Rho)y -0.2383364E-18 GRAD(Rho)z -0.2902942E-18 Laplacian 0.1755258E-01 (-1/4)Del**2(Rho)) -0.4388146E-02 Diamond 0.5620622E-03 Metallicity 0.4876961E+00 Ellipticity 0.1711294E+00 Gb(Abramov) 0.3282111E-02 Vb(Abramov) -0.2176076E-02 Hb(Abramov) 0.1106035E-02 Ex_ueg -0.5543110E-03 Ec_ueg -0.1269344E-03 Delta_ex -0.1071370E-02 Delta_ec 0.9363184E-03 Delta_et -0.4781197E-02 Pxc 0.4366910E+01 Qxc -0.1144237E+01 3,-1 126 3 -1 1.375988 -2.117375 -2.108551 Rho 0.6390153E-02 |GRAD(Rho)| 0.2181695E-16 GRAD(Rho)x 0.1346010E-17 GRAD(Rho)y 0.1600534E-16 GRAD(Rho)z -0.1476470E-16 Laplacian 0.2627811E-01 (-1/4)Del**2(Rho)) -0.6569527E-02 Diamond 0.1071293E-02 Metallicity 0.5770381E+00 Ellipticity 0.1381195E+01 Gb(Abramov) 0.5011496E-02 Vb(Abramov) -0.3453465E-02 Hb(Abramov) 0.1558031E-02 Ex_ueg -0.8757902E-03 Ec_ueg -0.2072187E-03 Delta_ex -0.1517573E-02 Delta_ec 0.1089084E-02 Delta_et -0.6263596E-02 Pxc 0.4226405E+01 Qxc -0.1393440E+01 3,-1 127 3 +3 -0.262733 -0.619035 -2.767568 Rho 0.3029841E-02 |GRAD(Rho)| 0.2172129E-14 GRAD(Rho)x -0.2104332E-14 GRAD(Rho)y -0.3156507E-16 GRAD(Rho)z 0.5375256E-15 Laplacian 0.1206104E-01 (-1/4)Del**2(Rho)) -0.3015260E-02 Diamond 0.8969997E-04 Metallicity 0.3624611E+00 Ellipticity -0.5083424E+00 Gb(Abramov) 0.2192326E-02 Vb(Abramov) -0.1369392E-02 Hb(Abramov) 0.8229343E-03 Ex_ueg -0.3238010E-03 Ec_ueg -0.6313972E-04 Delta_ex -0.4488696E-03 Delta_ec 0.2055912E-03 Delta_et -0.1032145E-02 Pxc 0.5128325E+01 Qxc -0.2183312E+01 3,+3 128 3 +1 1.133495 -2.213858 1.306083 Rho 0.2794087E-01 |GRAD(Rho)| 0.3992962E-16 GRAD(Rho)x -0.7316654E-17 GRAD(Rho)y 0.3905152E-16 GRAD(Rho)z -0.3977454E-17 Laplacian 0.1141571E+00 (-1/4)Del**2(Rho)) -0.2853927E-01 Diamond 0.1913520E-01 Metallicity 0.1553020E+01 Ellipticity -0.9326174E+01 Gb(Abramov) 0.2641319E-01 Vb(Abramov) -0.2428710E-01 Hb(Abramov) 0.2126082E-02 Ex_ueg -0.6261884E-02 Ec_ueg -0.1237893E-02 Delta_ex -0.7477105E-02 Delta_ec 0.2226952E-02 Delta_et -0.2015169E-01 Pxc 0.5058503E+01 Qxc -0.3357551E+01 3,+1 129 3 +3 0.746854 -1.473999 -1.570514 Rho 0.3008276E-02 |GRAD(Rho)| 0.2672684E-17 GRAD(Rho)x 0.7094468E-18 GRAD(Rho)y 0.1423313E-17 GRAD(Rho)z -0.2148047E-17 Laplacian 0.1172478E-01 (-1/4)Del**2(Rho)) -0.2931195E-02 Diamond 0.6372364E-04 Metallicity 0.3684438E+00 Ellipticity -0.8834618E+00 Gb(Abramov) 0.2134127E-02 Vb(Abramov) -0.1337059E-02 Hb(Abramov) 0.7970682E-03 Ex_ueg -0.3207318E-03 Ec_ueg -0.6223424E-04 Delta_ex -0.3942870E-03 Delta_ec 0.1259558E-03 Delta_et -0.6877438E-03 Pxc 0.5153622E+01 Qxc -0.3130361E+01 3,+3 130 3 +1 1.516037 -2.023361 -2.012782 Rho 0.6344280E-02 |GRAD(Rho)| 0.2588564E-15 GRAD(Rho)x 0.1961384E-15 GRAD(Rho)y 0.1088600E-15 GRAD(Rho)z 0.1291737E-15 Laplacian 0.2764219E-01 (-1/4)Del**2(Rho)) -0.6910548E-02 Diamond 0.8852081E-03 Metallicity 0.5420150E+00 Ellipticity -0.2758074E+01 Gb(Abramov) 0.5231302E-02 Vb(Abramov) -0.3552056E-02 Hb(Abramov) 0.1679246E-02 Ex_ueg -0.8674175E-03 Ec_ueg -0.2052136E-03 Delta_ex -0.1438233E-02 Delta_ec 0.8670224E-03 Delta_et -0.5058144E-02 Pxc 0.4226901E+01 Qxc -0.1658819E+01 3,+1 131 3 -1 -0.508094 0.415203 0.427083 Rho 0.1792784E+00 |GRAD(Rho)| 0.3877616E-14 GRAD(Rho)x 0.2105954E-14 GRAD(Rho)y -0.2338407E-14 GRAD(Rho)z -0.2265549E-14 Laplacian 0.4713808E+00 (-1/4)Del**2(Rho)) -0.1178452E+00 Diamond 0.1206865E+01 Metallicity 0.8332743E+01 Ellipticity 0.2274513E-02 Gb(Abramov) 0.2422258E+00 Vb(Abramov) -0.3666063E+00 Hb(Abramov) -0.1243806E+00 Ex_ueg -0.7466019E-01 Ec_ueg -0.1034342E-01 Delta_ex -0.5310170E-01 Delta_ec 0.1175712E-01 Delta_et -0.1609576E+00 Pxc 0.7218137E+01 Qxc -0.4516556E+01 3,-1 132 3 +1 0.517117 0.454958 1.651518 Rho 0.8061751E-02 |GRAD(Rho)| 0.8984894E-17 GRAD(Rho)x 0.8898206E-17 GRAD(Rho)y -0.1043467E-17 GRAD(Rho)z 0.6792906E-18 Laplacian 0.3169492E-01 (-1/4)Del**2(Rho)) -0.7923730E-02 Diamond 0.7760430E-03 Metallicity 0.7047024E+00 Ellipticity -0.1411111E+01 Gb(Abramov) 0.6213132E-02 Vb(Abramov) -0.4502534E-02 Hb(Abramov) 0.1710598E-02 Ex_ueg -0.1193871E-02 Ec_ueg -0.2809621E-03 Delta_ex -0.1424191E-02 Delta_ec 0.4454131E-03 Delta_et -0.2994584E-02 Pxc 0.4249226E+01 Qxc -0.3197460E+01 3,+1 133 3 -1 -0.560022 1.778049 -2.757051 Rho 0.1440192E+00 |GRAD(Rho)| 0.7571441E-16 GRAD(Rho)x -0.5476576E-16 GRAD(Rho)y 0.5118790E-16 GRAD(Rho)z 0.1063873E-16 Laplacian 0.6136440E+00 (-1/4)Del**2(Rho)) -0.1534110E+00 Diamond 0.1176020E+01 Metallicity 0.4443554E+01 Ellipticity 0.1692587E-01 Gb(Abramov) 0.2158890E+00 Vb(Abramov) -0.2783670E+00 Hb(Abramov) -0.6247802E-01 Ex_ueg -0.5575435E-01 Ec_ueg -0.8061760E-02 Delta_ex -0.6515911E-01 Delta_ec 0.1557255E-01 Delta_et -0.2057671E+00 Pxc 0.6915903E+01 Qxc -0.4184228E+01 3,-1 134 3 -1 -0.085026 -3.229980 3.214476 Rho 0.2313447E+00 |GRAD(Rho)| 0.1995497E-12 GRAD(Rho)x 0.3818847E-13 GRAD(Rho)y 0.1344676E-12 GRAD(Rho)z -0.1424086E-12 Laplacian 0.8344736E+00 (-1/4)Del**2(Rho)) -0.2086184E+00 Diamond 0.2834362E+01 Metallicity 0.7199457E+01 Ellipticity 0.2001271E-02 Gb(Abramov) 0.3894022E+00 Vb(Abramov) -0.5701859E+00 Hb(Abramov) -0.1807838E+00 Ex_ueg -0.1048893E+00 Ec_ueg -0.1384285E-01 Delta_ex -0.9992051E-01 Delta_ec 0.1874093E-01 Delta_et -0.2596729E+00 Pxc 0.7577146E+01 Qxc -0.5331672E+01 3,-1 135 3 -1 0.036721 -2.173733 -0.988309 Rho 0.6682412E-02 |GRAD(Rho)| 0.1206373E-16 GRAD(Rho)x -0.5262558E-17 GRAD(Rho)y -0.1083769E-16 GRAD(Rho)z 0.6193054E-18 Laplacian 0.2603444E-01 (-1/4)Del**2(Rho)) -0.6508610E-02 Diamond 0.1023826E-02 Metallicity 0.6275096E+00 Ellipticity 0.2905609E+01 Gb(Abramov) 0.5019776E-02 Vb(Abramov) -0.3530942E-02 Hb(Abramov) 0.1488834E-02 Ex_ueg -0.9295999E-03 Ec_ueg -0.2200172E-03 Delta_ex -0.1450602E-02 Delta_ec 0.9626707E-03 Delta_et -0.5647169E-02 Pxc 0.4225125E+01 Qxc -0.1506852E+01 3,-1 136 3 -1 -0.549041 2.749552 -1.766113 Rho 0.1392698E+00 |GRAD(Rho)| 0.2278182E-13 GRAD(Rho)x 0.1473974E-13 GRAD(Rho)y -0.1406176E-14 GRAD(Rho)z -0.1731398E-13 Laplacian 0.5815066E+00 (-1/4)Del**2(Rho)) -0.1453766E+00 Diamond 0.1072805E+01 Metallicity 0.4434247E+01 Ellipticity 0.6075590E-02 Gb(Abramov) 0.2043571E+00 Vb(Abramov) -0.2633375E+00 Hb(Abramov) -0.5898045E-01 Ex_ueg -0.5331640E-01 Ec_ueg -0.7760203E-02 Delta_ex -0.6126870E-01 Delta_ec 0.1492560E-01 Delta_et -0.1963497E+00 Pxc 0.6870490E+01 Qxc -0.4104941E+01 3,-1 137 3 +1 0.183253 2.953246 -0.144867 Rho 0.5821591E-02 |GRAD(Rho)| 0.5467387E-14 GRAD(Rho)x 0.3772053E-14 GRAD(Rho)y 0.5904174E-15 GRAD(Rho)z -0.3913481E-14 Laplacian 0.2403153E-01 (-1/4)Del**2(Rho)) -0.6007882E-02 Diamond 0.6523699E-03 Metallicity 0.5402166E+00 Ellipticity -0.2675186E+01 Gb(Abramov) 0.4546181E-02 Vb(Abramov) -0.3084480E-02 Hb(Abramov) 0.1461701E-02 Ex_ueg -0.7734650E-03 Ec_ueg -0.1824388E-03 Delta_ex -0.1204075E-02 Delta_ec 0.7089674E-03 Delta_et -0.4048922E-02 Pxc 0.4239587E+01 Qxc -0.1698350E+01 3,+1 138 3 -1 -0.062917 3.175881 -3.161583 Rho 0.2421025E+00 |GRAD(Rho)| 0.8812705E-15 GRAD(Rho)x -0.1133804E-15 GRAD(Rho)y 0.8154285E-15 GRAD(Rho)z -0.3144186E-15 Laplacian 0.8954311E+00 (-1/4)Del**2(Rho)) -0.2238578E+00 Diamond 0.3185406E+01 Metallicity 0.7237355E+01 Ellipticity 0.1482917E-02 Gb(Abramov) 0.4192616E+00 Vb(Abramov) -0.6146653E+00 Hb(Abramov) -0.1954038E+00 Ex_ueg -0.1114425E+00 Ec_ueg -0.1458458E-01 Delta_ex -0.1083547E+00 Delta_ec 0.1958965E-01 Delta_et -0.2708035E+00 Pxc 0.7641120E+01 Qxc -0.5531225E+01 3,-1 139 3 -1 0.100051 3.233506 3.173485 Rho 0.2297129E+00 |GRAD(Rho)| 0.4409879E-10 GRAD(Rho)x 0.8000540E-11 GRAD(Rho)y 0.3017687E-10 GRAD(Rho)z 0.3114565E-10 Laplacian 0.8240370E+00 (-1/4)Del**2(Rho)) -0.2060092E+00 Diamond 0.2778109E+01 Metallicity 0.7205136E+01 Ellipticity 0.2097198E-02 Gb(Abramov) 0.3847269E+00 Vb(Abramov) -0.5634446E+00 Hb(Abramov) -0.1787177E+00 Ex_ueg -0.1039040E+00 Ec_ueg -0.1373090E-01 Delta_ex -0.9850612E-01 Delta_ec 0.1857412E-01 Delta_et -0.2573985E+00 Pxc 0.7567169E+01 Qxc -0.5303406E+01 3,-1 140 3 -1 0.421978 0.393279 -0.533157 Rho 0.1795131E+00 |GRAD(Rho)| 0.1982752E-15 GRAD(Rho)x -0.9714451E-16 GRAD(Rho)y -0.1075529E-15 GRAD(Rho)z 0.1353084E-15 Laplacian 0.4723916E+00 (-1/4)Del**2(Rho)) -0.1180979E+00 Diamond 0.1215498E+01 Metallicity 0.8333061E+01 Ellipticity 0.2934390E-02 Gb(Abramov) 0.2427515E+00 Vb(Abramov) -0.3674050E+00 Hb(Abramov) -0.1246535E+00 Ex_ueg -0.7479053E-01 Ec_ueg -0.1035885E-01 Delta_ex -0.5326548E-01 Delta_ec 0.1183634E-01 Delta_et -0.1622340E+00 Pxc 0.7219966E+01 Qxc -0.4500165E+01 3,-1 141 3 +1 1.721746 1.775957 1.765542 Rho 0.1236919E-01 |GRAD(Rho)| 0.1576252E-16 GRAD(Rho)x 0.1394967E-16 GRAD(Rho)y -0.2373230E-18 GRAD(Rho)z -0.7335351E-17 Laplacian 0.6193229E-01 (-1/4)Del**2(Rho)) -0.1548307E-01 Diamond 0.2556520E-02 Metallicity 0.7360909E+00 Ellipticity -0.1251254E+01 Gb(Abramov) 0.1222154E-01 Vb(Abramov) -0.8960006E-02 Hb(Abramov) 0.3261533E-02 Ex_ueg -0.2112711E-02 Ec_ueg -0.4766388E-03 Delta_ex -0.3060255E-02 Delta_ec 0.7887958E-03 Delta_et -0.5969990E-02 Pxc 0.4432520E+01 Qxc -0.3879654E+01 3,+1 142 3 +1 1.388652 1.022803 -2.201701 Rho 0.2921243E-01 |GRAD(Rho)| 0.2391972E-16 GRAD(Rho)x -0.1484723E-16 GRAD(Rho)y -0.4212738E-17 GRAD(Rho)z 0.1827472E-16 Laplacian 0.1150743E+00 (-1/4)Del**2(Rho)) -0.2876858E-01 Diamond 0.1793485E-01 Metallicity 0.1659259E+01 Ellipticity -0.3608025E+01 Gb(Abramov) 0.2713481E-01 Vb(Abramov) -0.2550104E-01 Hb(Abramov) 0.1633771E-02 Ex_ueg -0.6644699E-02 Ec_ueg -0.1303055E-02 Delta_ex -0.7399286E-02 Delta_ec 0.1839882E-02 Delta_et -0.1687565E-01 Pxc 0.5099322E+01 Qxc -0.4021609E+01 3,+1 143 3 -1 0.525210 1.668488 -1.738048 Rho 0.5211807E-01 |GRAD(Rho)| 0.8414185E-15 GRAD(Rho)x -0.2970669E-15 GRAD(Rho)y 0.6499682E-15 GRAD(Rho)z -0.4441595E-15 Laplacian 0.2108111E+00 (-1/4)Del**2(Rho)) -0.5270278E-01 Diamond 0.1122910E+00 Metallicity 0.2377024E+01 Ellipticity 0.1415868E-01 Gb(Abramov) 0.5601447E-01 Vb(Abramov) -0.5932617E-01 Hb(Abramov) -0.3311698E-02 Ex_ueg -0.1437814E-01 Ec_ueg -0.2532283E-02 Delta_ex -0.1750325E-01 Delta_ec 0.6222900E-02 Delta_et -0.6631344E-01 Pxc 0.5677937E+01 Qxc -0.2812716E+01 3,-1 144 3 +1 1.353598 2.117084 -1.093903 Rho 0.2652951E-01 |GRAD(Rho)| 0.3720531E-16 GRAD(Rho)x -0.2542880E-16 GRAD(Rho)y -0.1922393E-16 GRAD(Rho)z -0.1918468E-16 Laplacian 0.1027643E+00 (-1/4)Del**2(Rho)) -0.2569109E-01 Diamond 0.1425273E-01 Metallicity 0.1582411E+01 Ellipticity -0.3671607E+01 Gb(Abramov) 0.2390303E-01 Vb(Abramov) -0.2211498E-01 Hb(Abramov) 0.1788052E-02 Ex_ueg -0.5843737E-02 Ec_ueg -0.1166027E-02 Delta_ex -0.6460363E-02 Delta_ec 0.1684203E-02 Delta_et -0.1509447E-01 Pxc 0.5011666E+01 Qxc -0.3835859E+01 3,+1 145 3 -1 0.848498 2.972633 -1.946820 Rho 0.1374495E+00 |GRAD(Rho)| 0.1528056E-13 GRAD(Rho)x -0.1100565E-13 GRAD(Rho)y -0.5447059E-14 GRAD(Rho)z -0.9093990E-14 Laplacian 0.5388901E+00 (-1/4)Del**2(Rho)) -0.1347225E+00 Diamond 0.9848098E+00 Metallicity 0.4681141E+01 Ellipticity 0.3870491E-01 Gb(Abramov) 0.1949242E+00 Vb(Abramov) -0.2551259E+00 Hb(Abramov) -0.6020168E-01 Ex_ueg -0.5238932E-01 Ec_ueg -0.7645010E-02 Delta_ex -0.5666651E-01 Delta_ec 0.1400036E-01 Delta_et -0.1840659E+00 Pxc 0.6852747E+01 Qxc -0.4047504E+01 3,-1 146 3 -1 0.412597 -0.541660 0.403269 Rho 0.1815371E+00 |GRAD(Rho)| 0.2192350E-15 GRAD(Rho)x -0.2428613E-16 GRAD(Rho)y 0.1734723E-15 GRAD(Rho)z -0.1318390E-15 Laplacian 0.4814330E+00 (-1/4)Del**2(Rho)) -0.1203583E+00 Diamond 0.1255237E+01 Metallicity 0.8330792E+01 Ellipticity 0.7648072E-02 Gb(Abramov) 0.2473521E+00 Vb(Abramov) -0.3743459E+00 Hb(Abramov) -0.1269938E+00 Ex_ueg -0.7591698E-01 Ec_ueg -0.1049207E-01 Delta_ex -0.5443499E-01 Delta_ec 0.1202347E-01 Delta_et -0.1649979E+00 Pxc 0.7235656E+01 Qxc -0.4527394E+01 3,-1 147 3 -1 0.854590 -3.020467 2.044159 Rho 0.1468049E+00 |GRAD(Rho)| 0.2919491E-15 GRAD(Rho)x -0.2888586E-15 GRAD(Rho)y -0.4136231E-16 GRAD(Rho)z 0.9175061E-17 Laplacian 0.5773305E+00 (-1/4)Del**2(Rho)) -0.1443326E+00 Diamond 0.1122949E+01 Metallicity 0.4876288E+01 Ellipticity 0.8188841E-01 Gb(Abramov) 0.2135230E+00 Vb(Abramov) -0.2827134E+00 Hb(Abramov) -0.6919036E-01 Ex_ueg -0.5719687E-01 Ec_ueg -0.8239293E-02 Delta_ex -0.6149731E-01 Delta_ec 0.1441275E-01 Delta_et -0.1905794E+00 Pxc 0.6941963E+01 Qxc -0.4266868E+01 3,-1 148 3 +1 1.107988 -1.323102 2.157732 Rho 0.2531919E-01 |GRAD(Rho)| 0.7057462E-16 GRAD(Rho)x -0.1291350E-16 GRAD(Rho)y 0.4479750E-17 GRAD(Rho)z -0.6923836E-16 Laplacian 0.1001713E+00 (-1/4)Del**2(Rho)) -0.2504282E-01 Diamond 0.1409239E-01 Metallicity 0.1501826E+01 Ellipticity -0.5032419E+01 Gb(Abramov) 0.2296354E-01 Vb(Abramov) -0.2088426E-01 Hb(Abramov) 0.2079280E-02 Ex_ueg -0.5490999E-02 Ec_ueg -0.1104798E-02 Delta_ex -0.6332449E-02 Delta_ec 0.1844777E-02 Delta_et -0.1630244E-01 Pxc 0.4970138E+01 Qxc -0.3432637E+01 3,+1 149 3 +1 2.022326 1.975061 -1.975184 Rho 0.1207609E-01 |GRAD(Rho)| 0.1284039E-16 GRAD(Rho)x -0.7664707E-17 GRAD(Rho)y 0.7627205E-17 GRAD(Rho)z 0.6924863E-17 Laplacian 0.5638304E-01 (-1/4)Del**2(Rho)) -0.1409576E-01 Diamond 0.1745713E-02 Metallicity 0.7768585E+00 Ellipticity -0.1071474E+01 Gb(Abramov) 0.1122224E-01 Vb(Abramov) -0.8348724E-02 Hb(Abramov) 0.2873518E-02 Ex_ueg -0.2046226E-02 Ec_ueg -0.4630828E-03 Delta_ex -0.2623301E-02 Delta_ec 0.4590412E-03 Delta_et -0.3656307E-02 Pxc 0.4418704E+01 Qxc -0.5714741E+01 3,+1 150 3 -1 1.695902 0.431491 -1.805413 Rho 0.4424310E-01 |GRAD(Rho)| 0.4187069E-16 GRAD(Rho)x -0.3747231E-16 GRAD(Rho)y 0.9632035E-17 GRAD(Rho)z 0.1600638E-16 Laplacian 0.1742235E+00 (-1/4)Del**2(Rho)) -0.4355588E-01 Diamond 0.7473472E-01 Metallicity 0.2189016E+01 Ellipticity 0.2661101E-01 Gb(Abramov) 0.4492801E-01 Vb(Abramov) -0.4630013E-01 Hb(Abramov) -0.1372125E-02 Ex_ueg -0.1155702E-01 Ec_ueg -0.2099216E-02 Delta_ex -0.1390503E-01 Delta_ec 0.5190997E-02 Delta_et -0.5300051E-01 Pxc 0.5505398E+01 Qxc -0.2678682E+01 3,-1 151 3 -1 1.766639 0.540845 2.773830 Rho 0.1299865E+00 |GRAD(Rho)| 0.3562228E-16 GRAD(Rho)x 0.4065758E-18 GRAD(Rho)y -0.2645453E-16 GRAD(Rho)z -0.2385245E-16 Laplacian 0.5433018E+00 (-1/4)Del**2(Rho)) -0.1358254E+00 Diamond 0.9251454E+00 Metallicity 0.4230602E+01 Ellipticity 0.1465433E-01 Gb(Abramov) 0.1863209E+00 Vb(Abramov) -0.2368163E+00 Hb(Abramov) -0.5049542E-01 Ex_ueg -0.4863130E-01 Ec_ueg -0.7174951E-02 Delta_ex -0.5632413E-01 Delta_ec 0.1423428E-01 Delta_et -0.1853601E+00 Pxc 0.6777927E+01 Qxc -0.3956935E+01 3,-1 152 3 -1 1.963676 -3.024424 0.861282 Rho 0.1179340E+00 |GRAD(Rho)| 0.7997639E-15 GRAD(Rho)x -0.3754118E-15 GRAD(Rho)y -0.2475979E-15 GRAD(Rho)z 0.6613498E-15 Laplacian 0.4535195E+00 (-1/4)Del**2(Rho)) -0.1133799E+00 Diamond 0.6976134E+00 Metallicity 0.4309389E+01 Ellipticity 0.2179854E-01 Gb(Abramov) 0.1570196E+00 Vb(Abramov) -0.2006593E+00 Hb(Abramov) -0.4363971E-01 Ex_ueg -0.4271403E-01 Ec_ueg -0.6423693E-02 Delta_ex -0.4607822E-01 Delta_ec 0.1241769E-01 Delta_et -0.1594831E+00 Pxc 0.6649451E+01 Qxc -0.3710692E+01 3,-1 153 3 -1 1.769631 -2.958162 -0.554383 Rho 0.2214865E+00 |GRAD(Rho)| 0.2601060E-15 GRAD(Rho)x -0.2288209E-15 GRAD(Rho)y -0.9280771E-16 GRAD(Rho)z -0.8174884E-16 Laplacian 0.8646824E+00 (-1/4)Del**2(Rho)) -0.2161706E+00 Diamond 0.2742629E+01 Metallicity 0.6461527E+01 Ellipticity 0.2287316E-01 Gb(Abramov) 0.3769124E+00 Vb(Abramov) -0.5376543E+00 Hb(Abramov) -0.1607418E+00 Ex_ueg -0.9897252E-01 Ec_ueg -0.1316872E-01 Delta_ex -0.1021124E+00 Delta_ec 0.1919422E-01 Delta_et -0.2634942E+00 Pxc 0.7515727E+01 Qxc -0.5319958E+01 3,-1 154 3 -1 1.750753 1.679640 -0.576324 Rho 0.3827235E-01 |GRAD(Rho)| 0.9527068E-14 GRAD(Rho)x 0.8231943E-14 GRAD(Rho)y -0.6577492E-15 GRAD(Rho)z -0.4750526E-14 Laplacian 0.1510375E+00 (-1/4)Del**2(Rho)) -0.3775937E-01 Diamond 0.5174022E-01 Metallicity 0.1983065E+01 Ellipticity 0.3092667E-01 Gb(Abramov) 0.3765280E-01 Vb(Abramov) -0.3754622E-01 Hb(Abramov) 0.1065774E-03 Ex_ueg -0.9525736E-02 Ec_ueg -0.1777688E-02 Delta_ex -0.1153866E-01 Delta_ec 0.4344286E-02 Delta_et -0.4264831E-01 Pxc 0.5358497E+01 Qxc -0.2656055E+01 3,-1 155 3 +1 1.977006 -2.014471 2.043961 Rho 0.1218664E-01 |GRAD(Rho)| 0.6148032E-17 GRAD(Rho)x -0.1052391E-17 GRAD(Rho)y -0.4469362E-17 GRAD(Rho)z 0.4088468E-17 Laplacian 0.5727374E-01 (-1/4)Del**2(Rho)) -0.1431844E-01 Diamond 0.1859750E-02 Metallicity 0.7764815E+00 Ellipticity -0.1113317E+01 Gb(Abramov) 0.1139862E-01 Vb(Abramov) -0.8478812E-02 Hb(Abramov) 0.2919812E-02 Ex_ueg -0.2071241E-02 Ec_ueg -0.4681920E-03 Delta_ex -0.2689642E-02 Delta_ec 0.4986220E-03 Delta_et -0.3939519E-02 Pxc 0.4423913E+01 Qxc -0.5394151E+01 3,+1 156 3 -1 1.664063 -1.789380 0.454317 Rho 0.4978733E-01 |GRAD(Rho)| 0.6359848E-12 GRAD(Rho)x -0.4127432E-12 GRAD(Rho)y 0.4249685E-12 GRAD(Rho)z 0.2313471E-12 Laplacian 0.1985690E+00 (-1/4)Del**2(Rho)) -0.4964225E-01 Diamond 0.1003418E+00 Metallicity 0.2338297E+01 Ellipticity 0.1320891E-01 Gb(Abramov) 0.5244123E-01 Vb(Abramov) -0.5524020E-01 Hb(Abramov) -0.2798974E-02 Ex_ueg -0.1352727E-01 Ec_ueg -0.2403122E-02 Delta_ex -0.1633859E-01 Delta_ec 0.5937141E-02 Delta_et -0.6254203E-01 Pxc 0.5629041E+01 Qxc -0.2751929E+01 3,-1 157 3 -1 1.941492 -0.855290 3.017978 Rho 0.1468995E+00 |GRAD(Rho)| 0.2917772E-12 GRAD(Rho)x 0.2227520E-12 GRAD(Rho)y -0.5747361E-13 GRAD(Rho)z 0.1794779E-12 Laplacian 0.5762726E+00 (-1/4)Del**2(Rho)) -0.1440682E+00 Diamond 0.1143274E+01 Metallicity 0.4890491E+01 Ellipticity 0.4218400E-01 Gb(Abramov) 0.2134728E+00 Vb(Abramov) -0.2828774E+00 Hb(Abramov) -0.6940462E-01 Ex_ueg -0.5724605E-01 Ec_ueg -0.8245335E-02 Delta_ex -0.6161473E-01 Delta_ec 0.1477748E-01 Delta_et -0.1963189E+00 Pxc 0.6942842E+01 Qxc -0.4169503E+01 3,-1 158 3 -1 1.878430 -0.626931 -3.017899 Rho 0.2374992E+00 |GRAD(Rho)| 0.6709596E-15 GRAD(Rho)x 0.4552565E-15 GRAD(Rho)y 0.4420292E-15 GRAD(Rho)z 0.2180331E-15 Laplacian 0.9065378E+00 (-1/4)Del**2(Rho)) -0.2266344E+00 Diamond 0.3135746E+01 Metallicity 0.6923582E+01 Ellipticity 0.1448211E-01 Gb(Abramov) 0.4126100E+00 Vb(Abramov) -0.5985855E+00 Hb(Abramov) -0.1859755E+00 Ex_ueg -0.1086262E+00 Ec_ueg -0.1426641E-01 Delta_ex -0.1090658E+00 Delta_ec 0.1979676E-01 Delta_et -0.2728474E+00 Pxc 0.7614122E+01 Qxc -0.5509277E+01 3,-1 159 3 -1 2.006036 2.980034 -0.839879 Rho 0.1407899E+00 |GRAD(Rho)| 0.3566658E-15 GRAD(Rho)x -0.7128629E-16 GRAD(Rho)y -0.1425048E-15 GRAD(Rho)z -0.3190943E-15 Laplacian 0.5504216E+00 (-1/4)Del**2(Rho)) -0.1376054E+00 Diamond 0.1037617E+01 Metallicity 0.4770204E+01 Ellipticity 0.3192964E-01 Gb(Abramov) 0.2011379E+00 Vb(Abramov) -0.2646704E+00 Hb(Abramov) -0.6353250E-01 Ex_ueg -0.5409375E-01 Ec_ueg -0.7856568E-02 Delta_ex -0.5824300E-01 Delta_ec 0.1426120E-01 Delta_et -0.1882748E+00 Pxc 0.6885163E+01 Qxc -0.4084018E+01 3,-1 160 3 +3 1.975636 1.922007 -1.929488 Rho 0.1206846E-01 |GRAD(Rho)| 0.2279229E-13 GRAD(Rho)x 0.1785617E-13 GRAD(Rho)y 0.1128473E-13 GRAD(Rho)z 0.8561589E-14 Laplacian 0.5609451E-01 (-1/4)Del**2(Rho)) -0.1402363E-01 Diamond 0.1522417E-02 Metallicity 0.7800322E+00 Ellipticity -0.9123171E+00 Gb(Abramov) 0.1117223E-01 Vb(Abramov) -0.8320836E-02 Hb(Abramov) 0.2851396E-02 Ex_ueg -0.2044502E-02 Ec_ueg -0.4627303E-03 Delta_ex -0.2548374E-02 Delta_ec 0.3477063E-03 Delta_et -0.2902285E-02 Pxc 0.4418345E+01 Qxc -0.7329099E+01 3,+3 161 3 -1 1.836213 2.779416 0.546838 Rho 0.1154812E+00 |GRAD(Rho)| 0.4928943E-14 GRAD(Rho)x 0.3805285E-14 GRAD(Rho)y -0.6254051E-15 GRAD(Rho)z -0.3069715E-14 Laplacian 0.4858681E+00 (-1/4)Del**2(Rho)) -0.1214670E+00 Diamond 0.7210340E+00 Metallicity 0.3884008E+01 Ellipticity 0.1570121E-01 Gb(Abramov) 0.1596078E+00 Vb(Abramov) -0.1977486E+00 Hb(Abramov) -0.3814081E-01 Ex_ueg -0.4153364E-01 Ec_ueg -0.6272034E-02 Delta_ex -0.4901160E-01 Delta_ec 0.1317422E-01 Delta_et -0.1682607E+00 Pxc 0.6622037E+01 Qxc -0.3720266E+01 3,-1 162 3 -1 2.750692 0.560826 1.833180 Rho 0.1340544E+00 |GRAD(Rho)| 0.1884750E-13 GRAD(Rho)x -0.2268967E-14 GRAD(Rho)y -0.1296024E-13 GRAD(Rho)z 0.1349489E-13 Laplacian 0.5664884E+00 (-1/4)Del**2(Rho)) -0.1416221E+00 Diamond 0.1005787E+01 Metallicity 0.4271272E+01 Ellipticity 0.1149957E-01 Gb(Abramov) 0.1952325E+00 Vb(Abramov) -0.2488428E+00 Hb(Abramov) -0.5361038E-01 Ex_ueg -0.5067103E-01 Ec_ueg -0.7430718E-02 Delta_ex -0.5922224E-01 Delta_ec 0.1483098E-01 Delta_et -0.1942742E+00 Pxc 0.6819130E+01 Qxc -0.3993145E+01 3,-1 163 3 +1 2.191880 1.013696 -1.430013 Rho 0.2460261E-01 |GRAD(Rho)| 0.7663471E-14 GRAD(Rho)x 0.4823838E-14 GRAD(Rho)y -0.2699339E-14 GRAD(Rho)z -0.5307819E-14 Laplacian 0.9364558E-01 (-1/4)Del**2(Rho)) -0.2341139E-01 Diamond 0.1103200E-01 Metallicity 0.1531421E+01 Ellipticity -0.2737906E+01 Gb(Abramov) 0.2158305E-01 Vb(Abramov) -0.1975470E-01 Hb(Abramov) 0.1828348E-02 Ex_ueg -0.5284778E-02 Ec_ueg -0.1068727E-02 Delta_ex -0.5694138E-02 Delta_ec 0.1401181E-02 Delta_et -0.1236573E-01 Pxc 0.4944927E+01 Qxc -0.4063814E+01 3,+1 164 3 +1 2.912239 0.103369 -0.079624 Rho 0.4878492E-02 |GRAD(Rho)| 0.5631982E-17 GRAD(Rho)x -0.4036391E-18 GRAD(Rho)y -0.4170194E-17 GRAD(Rho)z -0.3763745E-17 Laplacian 0.1968800E-01 (-1/4)Del**2(Rho)) -0.4922001E-02 Diamond 0.4702027E-03 Metallicity 0.4911576E+00 Ellipticity -0.5937087E+01 Gb(Abramov) 0.3684247E-02 Vb(Abramov) -0.2446493E-02 Hb(Abramov) 0.1237754E-02 Ex_ueg -0.6110816E-03 Ec_ueg -0.1416876E-03 Delta_ex -0.9992003E-03 Delta_ec 0.6645218E-03 Delta_et -0.3564276E-02 Pxc 0.4312881E+01 Qxc -0.1503638E+01 3,+1 165 3 -1 2.922079 -2.007691 0.825347 Rho 0.9141247E-01 |GRAD(Rho)| 0.3796695E-15 GRAD(Rho)x -0.1820816E-15 GRAD(Rho)y -0.3632755E-16 GRAD(Rho)z -0.3311729E-15 Laplacian 0.3635209E+00 (-1/4)Del**2(Rho)) -0.9088024E-01 Diamond 0.4024231E+00 Metallicity 0.3516356E+01 Ellipticity 0.4021070E-02 Gb(Abramov) 0.1138480E+00 Vb(Abramov) -0.1368158E+00 Hb(Abramov) -0.2296780E-01 Ex_ueg -0.3041298E-01 Ec_ueg -0.4807856E-02 Delta_ex -0.3463491E-01 Delta_ec 0.1022500E-01 Delta_et -0.1245937E+00 Pxc 0.6325685E+01 Qxc -0.3387277E+01 3,-1 166 3 -1 2.726911 -1.843180 -0.611960 Rho 0.1425851E+00 |GRAD(Rho)| 0.3530431E-13 GRAD(Rho)x -0.5456125E-14 GRAD(Rho)y -0.2802515E-13 GRAD(Rho)z 0.2076574E-13 Laplacian 0.5887483E+00 (-1/4)Del**2(Rho)) -0.1471871E+00 Diamond 0.1124223E+01 Metallicity 0.4554848E+01 Ellipticity 0.6709759E-02 Gb(Abramov) 0.2098605E+00 Vb(Abramov) -0.2725340E+00 Hb(Abramov) -0.6267344E-01 Ex_ueg -0.5501537E-01 Ec_ueg -0.7970558E-02 Delta_ex -0.6246276E-01 Delta_ec 0.1515643E-01 Delta_et -0.2003660E+00 Pxc 0.6902324E+01 Qxc -0.4121205E+01 3,-1 167 3 +1 2.909732 -0.070792 0.096900 Rho 0.4881983E-02 |GRAD(Rho)| 0.2913999E-17 GRAD(Rho)x 0.3563491E-18 GRAD(Rho)y -0.2424865E-17 GRAD(Rho)z 0.1576209E-17 Laplacian 0.1966181E-01 (-1/4)Del**2(Rho)) -0.4915453E-02 Diamond 0.4793928E-03 Metallicity 0.4923985E+00 Ellipticity -0.9372274E+01 Gb(Abramov) 0.3680362E-02 Vb(Abramov) -0.2445272E-02 Hb(Abramov) 0.1235091E-02 Ex_ueg -0.6116647E-03 Ec_ueg -0.1418376E-03 Delta_ex -0.1006981E-02 Delta_ec 0.6796648E-03 Delta_et -0.3640226E-02 Pxc 0.4312430E+01 Qxc -0.1481585E+01 3,+1 168 3 -1 3.161009 0.040810 3.226759 Rho 0.2411038E+00 |GRAD(Rho)| 0.6040199E-12 GRAD(Rho)x -0.4076691E-12 GRAD(Rho)y -0.1235909E-12 GRAD(Rho)z -0.4282187E-12 Laplacian 0.8768884E+00 (-1/4)Del**2(Rho)) -0.2192221E+00 Diamond 0.3118937E+01 Metallicity 0.7339656E+01 Ellipticity 0.4674573E-02 Gb(Abramov) 0.4143172E+00 Vb(Abramov) -0.6094123E+00 Hb(Abramov) -0.1950951E+00 Ex_ueg -0.1108300E+00 Ec_ueg -0.1451545E-01 Delta_ex -0.1060754E+00 Delta_ec 0.1934914E-01 Delta_et -0.2680796E+00 Pxc 0.7635310E+01 Qxc -0.5482177E+01 3,-1 169 3 -1 2.981627 0.805500 -2.013707 Rho 0.7816236E-01 |GRAD(Rho)| 0.4031161E-15 GRAD(Rho)x -0.1042206E-15 GRAD(Rho)y -0.3056485E-15 GRAD(Rho)z -0.2412875E-15 Laplacian 0.3134674E+00 (-1/4)Del**2(Rho)) -0.7836684E-01 Diamond 0.2857902E+00 Metallicity 0.3141113E+01 Ellipticity 0.2010724E-02 Gb(Abramov) 0.9327108E-01 Vb(Abramov) -0.1081753E+00 Hb(Abramov) -0.1490424E-01 Ex_ueg -0.2468209E-01 Ec_ueg -0.4022456E-02 Delta_ex -0.2878629E-01 Delta_ec 0.9057242E-02 Delta_et -0.1066443E+00 Pxc 0.6136074E+01 Qxc -0.3178262E+01 3,-1 170 3 -1 3.174187 -3.226646 -0.086322 Rho 0.2351712E+00 |GRAD(Rho)| 0.1172379E-14 GRAD(Rho)x 0.1097429E-14 GRAD(Rho)y -0.3848918E-15 GRAD(Rho)z -0.1482511E-15 Laplacian 0.8694776E+00 (-1/4)Del**2(Rho)) -0.2173694E+00 Diamond 0.2992839E+01 Metallicity 0.7101142E+01 Ellipticity 0.1486196E-01 Gb(Abramov) 0.4021748E+00 Vb(Abramov) -0.5869801E+00 Hb(Abramov) -0.1848054E+00 Ex_ueg -0.1072088E+00 Ec_ueg -0.1410595E-01 Delta_ex -0.1044516E+00 Delta_ec 0.1924545E-01 Delta_et -0.2660502E+00 Pxc 0.7600255E+01 Qxc -0.5427337E+01 3,-1 171 3 -1 3.045920 1.993078 -0.846658 Rho 0.1871352E+00 |GRAD(Rho)| 0.7581781E-13 GRAD(Rho)x -0.7189835E-13 GRAD(Rho)y -0.2390763E-13 GRAD(Rho)z 0.2718854E-14 Laplacian 0.7284526E+00 (-1/4)Del**2(Rho)) -0.1821131E+00 Diamond 0.1914541E+01 Metallicity 0.5791677E+01 Ellipticity 0.5079190E-01 Gb(Abramov) 0.2971988E+00 Vb(Abramov) -0.4122845E+00 Hb(Abramov) -0.1150857E+00 Ex_ueg -0.7905433E-01 Ec_ueg -0.1086175E-01 Delta_ex -0.8258494E-01 Delta_ec 0.1731648E-01 Delta_et -0.2362025E+00 Pxc 0.7278235E+01 Qxc -0.4769153E+01 3,-1 172 3 -1 3.244722 3.194442 0.056906 Rho 0.2412038E+00 |GRAD(Rho)| 0.4282845E-15 GRAD(Rho)x 0.3764350E-15 GRAD(Rho)y 0.2014448E-15 GRAD(Rho)z -0.3382711E-16 Laplacian 0.8734534E+00 (-1/4)Del**2(Rho)) -0.2183633E+00 Diamond 0.3110006E+01 Metallicity 0.7373611E+01 Ellipticity 0.4369460E-02 Gb(Abramov) 0.4139299E+00 Vb(Abramov) -0.6094965E+00 Hb(Abramov) -0.1955666E+00 Ex_ueg -0.1108912E+00 Ec_ueg -0.1452237E-01 Delta_ex -0.1056805E+00 Delta_ec 0.1928738E-01 Delta_et -0.2673004E+00 Pxc 0.7635892E+01 Qxc -0.5479259E+01 3,-1 173 3 -1 -3.221910 3.134594 -0.077791 Rho 0.2377345E+00 |GRAD(Rho)| 0.1253206E-13 GRAD(Rho)x 0.6543756E-14 GRAD(Rho)y -0.7938854E-14 GRAD(Rho)z -0.7155870E-14 Laplacian 0.8772051E+00 (-1/4)Del**2(Rho)) -0.2193013E+00 Diamond 0.3054328E+01 Metallicity 0.7166915E+01 Ellipticity 0.7722403E-02 Gb(Abramov) 0.4081531E+00 Vb(Abramov) -0.5970050E+00 Hb(Abramov) -0.1888518E+00 Ex_ueg -0.1087697E+00 Ec_ueg -0.1428264E-01 Delta_ex -0.1056527E+00 Delta_ec 0.1930867E-01 Delta_et -0.2668282E+00 Pxc 0.7615515E+01 Qxc -0.5471775E+01 3,-1 174 3 -1 -0.819301 -3.497027 -1.256831 Rho 0.3146322E+00 |GRAD(Rho)| 0.1439827E-14 GRAD(Rho)x -0.6695372E-17 GRAD(Rho)y -0.1431537E-14 GRAD(Rho)z -0.1541329E-15 Laplacian -0.1631220E+01 (-1/4)Del**2(Rho)) 0.4078051E+00 Diamond 0.5556967E+01 Metallicity -0.6148548E+01 Ellipticity 0.2541456E-02 Gb(Abramov) 0.1460315E+00 Vb(Abramov) -0.6998680E+00 Hb(Abramov) -0.5538366E+00 Ex_ueg -0.1580481E+00 Ec_ueg -0.1975107E-01 Delta_ex 0.1614740E+00 Delta_ec 0.5671921E-01 Delta_et -0.1337747E+01 Pxc 0.8002003E+01 Qxc 0.2846902E+01 3,-1 175 3 -1 0.806583 -1.999510 3.008220 Rho 0.1226972E+00 |GRAD(Rho)| 0.7348737E-12 GRAD(Rho)x -0.4068369E-12 GRAD(Rho)y -0.4816310E-12 GRAD(Rho)z -0.3775642E-12 Laplacian 0.4767389E+00 (-1/4)Del**2(Rho)) -0.1191847E+00 Diamond 0.7513780E+00 Metallicity 0.4379156E+01 Ellipticity 0.4064164E-01 Gb(Abramov) 0.1664446E+00 Vb(Abramov) -0.2137044E+00 Hb(Abramov) -0.4725984E-01 Ex_ueg -0.4502959E-01 Ec_ueg -0.6719406E-02 Delta_ex -0.4866447E-01 Delta_ec 0.1252247E-01 Delta_et -0.1612735E+00 Pxc 0.6701424E+01 Qxc -0.3886173E+01 3,-1 176 3 -1 0.877949 1.995170 -2.970508 Rho 0.1479920E+00 |GRAD(Rho)| 0.4131887E-15 GRAD(Rho)x 0.2538659E-15 GRAD(Rho)y -0.3201242E-15 GRAD(Rho)z -0.6162334E-16 Laplacian 0.5863506E+00 (-1/4)Del**2(Rho)) -0.1465876E+00 Diamond 0.1164262E+01 Metallicity 0.4866157E+01 Ellipticity 0.6340533E-01 Gb(Abramov) 0.2166115E+00 Vb(Abramov) -0.2866354E+00 Hb(Abramov) -0.7002387E-01 Ex_ueg -0.5781439E-01 Ec_ueg -0.8315096E-02 Delta_ex -0.6271078E-01 Delta_ec 0.1483818E-01 Delta_et -0.1969518E+00 Pxc 0.6952943E+01 Qxc -0.4226312E+01 3,-1 177 3 -1 0.580603 2.812355 1.793971 Rho 0.1524782E+00 |GRAD(Rho)| 0.2071891E-12 GRAD(Rho)x 0.1762944E-13 GRAD(Rho)y -0.1528576E-12 GRAD(Rho)z 0.1387483E-12 Laplacian 0.6339072E+00 (-1/4)Del**2(Rho)) -0.1584768E+00 Diamond 0.1289323E+01 Metallicity 0.4730788E+01 Ellipticity 0.2783392E-01 Gb(Abramov) 0.2306046E+00 Vb(Abramov) -0.3027323E+00 Hb(Abramov) -0.7212776E-01 Ex_ueg -0.6016287E-01 Ec_ueg -0.8602340E-02 Delta_ex -0.6814778E-01 Delta_ec 0.1565588E-01 Delta_et -0.2080255E+00 Pxc 0.6993780E+01 Qxc -0.4352857E+01 3,-1 178 3 -1 1.697061 -0.583499 1.701728 Rho 0.4107020E-01 |GRAD(Rho)| 0.9362294E-16 GRAD(Rho)x 0.5347213E-16 GRAD(Rho)y 0.4170398E-16 GRAD(Rho)z 0.6455048E-16 Laplacian 0.1632093E+00 (-1/4)Del**2(Rho)) -0.4080233E-01 Diamond 0.6184923E-01 Metallicity 0.2064173E+01 Ellipticity 0.4611700E-01 Gb(Abramov) 0.4123873E-01 Vb(Abramov) -0.4167514E-01 Hb(Abramov) -0.4364044E-03 Ex_ueg -0.1046536E-01 Ec_ueg -0.1927565E-02 Delta_ex -0.1270714E-01 Delta_ec 0.4722865E-02 Delta_et -0.4725234E-01 Pxc 0.5429316E+01 Qxc -0.2690556E+01 3,-1 179 3 -1 0.551037 1.826998 2.754126 Rho 0.1367095E+00 |GRAD(Rho)| 0.2816976E-15 GRAD(Rho)x -0.7479640E-16 GRAD(Rho)y -0.2608048E-15 GRAD(Rho)z -0.7576201E-16 Laplacian 0.5675044E+00 (-1/4)Del**2(Rho)) -0.1418761E+00 Diamond 0.1013961E+01 Metallicity 0.4405298E+01 Ellipticity 0.1469821E-01 Gb(Abramov) 0.1987518E+00 Vb(Abramov) -0.2556276E+00 Hb(Abramov) -0.5687572E-01 Ex_ueg -0.5201359E-01 Ec_ueg -0.7598241E-02 Delta_ex -0.5941199E-01 Delta_ec 0.1443220E-01 Delta_et -0.1889213E+00 Pxc 0.6845478E+01 Qxc -0.4116626E+01 3,-1 180 3 -1 1.988946 0.822599 -3.027653 Rho 0.1261801E+00 |GRAD(Rho)| 0.3469519E-15 GRAD(Rho)x 0.1316018E-15 GRAD(Rho)y -0.3181320E-15 GRAD(Rho)z 0.4299539E-16 Laplacian 0.4836630E+00 (-1/4)Del**2(Rho)) -0.1209158E+00 Diamond 0.8060917E+00 Metallicity 0.4522602E+01 Ellipticity 0.2536216E-01 Gb(Abramov) 0.1717528E+00 Vb(Abramov) -0.2225898E+00 Hb(Abramov) -0.5083705E-01 Ex_ueg -0.4674188E-01 Ec_ueg -0.6936623E-02 Delta_ex -0.4992685E-01 Delta_ec 0.1301701E-01 Delta_et -0.1691401E+00 Pxc 0.6738420E+01 Qxc -0.3835507E+01 3,-1 181 3 -1 2.961465 -0.860479 2.013135 Rho 0.1734908E+00 |GRAD(Rho)| 0.5704489E-13 GRAD(Rho)x -0.2478929E-13 GRAD(Rho)y -0.2360831E-13 GRAD(Rho)z -0.4563177E-13 Laplacian 0.6758708E+00 (-1/4)Del**2(Rho)) -0.1689677E+00 Diamond 0.1625351E+01 Metallicity 0.5502289E+01 Ellipticity 0.5143278E-01 Gb(Abramov) 0.2675966E+00 Vb(Abramov) -0.3662256E+00 Hb(Abramov) -0.9862894E-01 Ex_ueg -0.7146392E-01 Ec_ueg -0.9963855E-02 Delta_ex -0.7520311E-01 Delta_ec 0.1644123E-01 Delta_et -0.2226751E+00 Pxc 0.7172317E+01 Qxc -0.4574057E+01 3,-1 182 3 -1 2.746903 -0.630244 -1.853552 Rho 0.1362233E+00 |GRAD(Rho)| 0.7239721E-14 GRAD(Rho)x -0.2321338E-14 GRAD(Rho)y -0.6694569E-14 GRAD(Rho)z -0.1485831E-14 Laplacian 0.5591590E+00 (-1/4)Del**2(Rho)) -0.1397898E+00 Diamond 0.1015245E+01 Metallicity 0.4444575E+01 Ellipticity 0.7542996E-02 Gb(Abramov) 0.1967442E+00 Vb(Abramov) -0.2536986E+00 Hb(Abramov) -0.5695444E-01 Ex_ueg -0.5176708E-01 Ec_ueg -0.7567529E-02 Delta_ex -0.5871927E-01 Delta_ec 0.1464616E-01 Delta_et -0.1924644E+00 Pxc 0.6840685E+01 Qxc -0.4009192E+01 3,-1 183 3 -1 2.791552 1.807966 0.575061 Rho 0.1437581E+00 |GRAD(Rho)| 0.1500424E-14 GRAD(Rho)x -0.2678420E-15 GRAD(Rho)y 0.1144701E-14 GRAD(Rho)z -0.9323054E-15 Laplacian 0.6025893E+00 (-1/4)Del**2(Rho)) -0.1506473E+00 Diamond 0.1160950E+01 Metallicity 0.4511410E+01 Ellipticity 0.1315029E-01 Gb(Abramov) 0.2137035E+00 Vb(Abramov) -0.2767597E+00 Hb(Abramov) -0.6305619E-01 Ex_ueg -0.5561964E-01 Ec_ueg -0.8045147E-02 Delta_ex -0.6404782E-01 Delta_ec 0.1546128E-01 Delta_et -0.2045991E+00 Pxc 0.6913439E+01 Qxc -0.4142465E+01 3,-1 184 3 -1 3.248274 -0.086538 -3.230030 Rho 0.2340784E+00 |GRAD(Rho)| 0.5987287E-15 GRAD(Rho)x 0.3735076E-15 GRAD(Rho)y -0.7445758E-16 GRAD(Rho)z -0.4619785E-15 Laplacian 0.8577465E+00 (-1/4)Del**2(Rho)) -0.2144366E+00 Diamond 0.2944126E+01 Metallicity 0.7142601E+01 Ellipticity 0.1832569E-01 Gb(Abramov) 0.3982303E+00 Vb(Abramov) -0.5820239E+00 Hb(Abramov) -0.1837937E+00 Ex_ueg -0.1065451E+00 Ec_ueg -0.1403073E-01 Delta_ex -0.1029622E+00 Delta_ec 0.1909207E-01 Delta_et -0.2642274E+00 Pxc 0.7593696E+01 Qxc -0.5392931E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 114 124 115 175 147 134 146 108 140 131 143 133 136 176 145 138 58 179 177 122 123 139 156 166 153 165 152 170 154 183 161 171 159 172 57 87 98 73 100 173 66 76 96 67 95 55 102 80 89 75 86 62 65 77 88 68 92 64 178 162 151 181 157 168 150 182 158 169 180 184 135 63 126 125 111 91 113 174 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 14 17 21 21 22 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 19 28 36 24 27 52 52 2.420943 1.990205 1.896964 1.981182 1.907902 1.730482 1.709649 1.691894 1.714525 1.714868 2.352934 1.926279 1.942753 1.928842 1.958541 1.739971 2.441541 1.927176 1.882626 2.034311 1.923091 1.733519 2.370502 1.932541 1.771947 2.124087 2.021148 1.751157 2.482044 1.928499 2.016540 1.838445 1.948839 1.741763 2.376639 1.826590 1.946385 1.961832 2.018577 1.747043 2.330251 1.914400 2.010730 1.914130 1.937006 1.739807 2.340416 2.172072 1.960487 1.996209 1.752910 1.753590 2.391354 1.984226 1.902104 1.953943 1.896837 1.741551 2.451105 1.955432 1.970134 1.868482 1.932134 1.741829 2.419669 1.950708 1.747693 2.187029 1.993862 1.753148 3.169092 3.173772 3.112225 3.246907 3.226788 3.217449 1.815292 1.001084 2.422497 1.990805 1.897677 1.982020 1.908657 1.730500 1.709661 1.691947 1.714542 1.714880 2.354596 1.926698 1.943236 1.929498 1.959174 1.739979 2.443288 1.927726 1.883124 2.035050 1.923839 1.733534 2.372135 1.932976 1.772053 2.124676 2.021673 1.751177 2.483608 1.928941 2.016963 1.838805 1.949448 1.741775 2.378136 1.826920 1.946746 1.962411 2.019108 1.747057 2.332401 1.914943 2.011187 1.914791 1.938312 1.739823 2.342691 2.172429 1.960880 1.996871 1.752924 1.753613 2.393140 1.984610 1.902648 1.954571 1.897349 1.741559 2.452770 1.955833 1.970615 1.868938 1.932720 1.741838 2.421204 1.951088 1.747719 2.187590 1.994473 1.753177 3.173867 3.181127 3.133585 3.249908 3.233131 3.221616 1.817889 1.001207 29 26 27 26 25 23 21 24 21 23 30 28 26 25 29 23 33 27 27 27 27 24 28 25 24 27 25 23 29 24 25 23 25 24 30 23 26 26 29 23 30 27 27 28 27 23 30 28 27 27 23 24 30 25 28 28 29 24 27 26 25 24 25 22 29 25 24 27 24 23 35 35 35 35 35 35 27 22 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 Mo As W Mo 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 2.3249 2.4882 2.4727 2.3298 2.3780 2.4556 2.4570 2.4611 2.3917 2.4576 2.4509 2.3529 -1.1222 -1.0300 -1.1214 -1.1178 -0.9565 -0.9909 -0.9300 -0.9687 -0.7607 -0.9300 -0.9784 -0.9288 -0.9645 -0.9208 -0.9183 -0.8255 -0.9586 -0.9853 -0.9448 -0.9746 -0.9374 -0.9804 -0.9380 -0.7917 -0.7937 -0.9359 -0.9277 -0.9720 -0.7209 -0.8313 -0.7929 -0.7333 -0.8244 -0.8039 -0.8161 -0.7890 -0.8251 -0.7999 -0.8024 0.3235 1.9619 0.8285 2.0930 1.9692 2.1224 2.0934 2.0925 2.1113 2.1251 2.0894 2.0932 2.1277 1.9374 1.9476 1.9365 1.9344 1.9322 1.9301 1.9412 1.9306 1.9677 1.9356 1.9294 1.9346 1.9311 1.9369 1.9388 1.9641 1.9454 1.9407 1.9472 1.9427 1.9424 1.9409 1.9437 1.9590 1.8778 1.9453 1.9455 1.9405 1.9755 1.9590 1.9649 1.9740 1.9602 1.9634 1.9614 1.9647 1.9583 1.9638 1.9634 0.5321 6.0719 1.1372 6.0931 6.0656 6.1108 6.0885 6.0910 6.0971 6.0941 6.0933 6.0943 6.1130 5.1472 5.0446 5.1474 5.1460 4.9949 5.0316 4.9583 5.0086 4.7570 4.9674 5.0200 4.9662 5.0039 4.9560 4.9518 4.8284 4.9832 5.0128 4.9669 5.0005 4.9655 5.0083 4.9644 4.7993 4.8854 4.9628 4.9527 4.9999 4.7123 4.8392 4.7927 4.7268 4.8306 4.8054 4.8206 4.7891 4.8336 4.8011 4.8040 0.1443 3.6413 10.5461 3.3118 3.6353 3.3602 3.3334 3.3299 3.3015 3.3607 3.3303 3.3323 3.3783 0.0377 0.0379 0.0375 0.0375 0.0294 0.0292 0.0305 0.0294 0.0360 0.0269 0.0291 0.0281 0.0296 0.0280 0.0277 0.0330 0.0299 0.0318 0.0307 0.0314 0.0295 0.0313 0.0298 0.0334 0.0304 0.0278 0.0295 0.0316 0.0331 0.0332 0.0353 0.0325 0.0335 0.0350 0.0341 0.0352 0.0331 0.0350 0.0350 0.0000 0.0000 0.0000 14.0294 0.0000 14.0286 14.0291 14.0295 14.0291 14.0284 14.0294 14.0292 14.0281 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 Mo As W Mo 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 3.173501 2.317092 2.514746 3.174509 2.477465 2.500158 2.498403 2.525785 2.492148 2.507324 2.504876 2.464809 -1.129316 -1.031064 -1.090658 -1.130979 -0.965285 -0.982760 -0.954518 -0.968333 -0.824832 -1.089746 -0.969710 -1.067050 -0.972339 -1.084442 -1.092418 -0.803486 -0.952438 -0.949896 -0.946614 -0.956029 -1.057308 -0.956776 -1.043543 -0.840946 -0.613097 -1.077171 -1.070154 -0.955144 -0.993157 -0.877427 -0.828382 -1.007371 -0.869135 -0.841100 -0.856835 -0.823420 -0.869493 -0.835854 -0.839664 0.067071 2.359932 1.714088 1.936521 2.359656 1.917887 1.940104 1.927103 1.961201 1.939176 1.940956 1.941367 1.925136 -0.789723 -0.711140 -0.738045 -0.795710 -0.720777 -0.730408 -0.738939 -0.723224 -0.715163 -0.828825 -0.717367 -0.825151 -0.726536 -0.827142 -0.840831 -0.662386 -0.801694 -0.772607 -0.800924 -0.787321 -0.865622 -0.787362 -0.868825 -0.746372 -0.790843 -0.887418 -0.871483 -0.781299 -0.772439 -0.786332 -0.732885 -0.788573 -0.773065 -0.740398 -0.756440 -0.712598 -0.782664 -0.731829 -0.737298 0.304530 2.449157 1.675620 2.042372 2.447981 2.007059 2.040378 2.027436 2.067616 2.030767 2.043782 2.044748 2.010232 -0.831271 -0.772570 -0.798554 -0.837715 -0.812467 -0.813909 -0.800178 -0.816888 -0.725155 -0.906926 -0.812945 -0.895437 -0.805269 -0.934300 -0.913518 -0.731685 -0.833932 -0.805941 -0.820663 -0.831822 -0.895968 -0.832391 -0.896755 -0.731558 -0.797552 -0.924387 -0.911257 -0.809493 -0.733255 -0.760493 -0.699633 -0.751217 -0.737675 -0.709683 -0.719735 -0.692669 -0.767995 -0.696445 -0.703117 0.385275 -0.15975921 -1.15016554 3.44113548 3.63177879 -21.33798983 5.45041818 -2.88850752 17.93706744 6.84398977 3.40092239 -372.5949 409.5623 -56.9524 -389.0723 -42.7015 -451.7588 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Jun10-2024 15:28:55 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:14 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -16.00007716 -16.42098308 -16.28826075 -16.31808767 -16.48077123 -16.53495187 -16.57171944 -16.57626907 -16.57982783 -16.58280931 -16.58877613 -16.59186728 -16.59439103 -16.59860443 -16.60034424 -16.60048684 -16.60123775 -16.60144376 -16.60155133 -16.60165923 -16.60172736 -16.60178691 -16.60180681 -16.60182269 -16.60182703 -16.60183016 GEOMETRY CONVERGED