ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:37:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.03 1.67 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 Jun20-2024 06:37:25 Nodes: 1 Procs: 1 Jun20-2024 06:37:27 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:37:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.51 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 Jun20-2024 06:37:25 Nodes: 1 Procs: 1 Jun20-2024 06:37:27 Nodes: 1 Procs: 1 0 Jun20-2024 06:37:29 Nodes: 1 Procs: 1 Jun20-2024 06:37:31 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:37:33 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.79 0.07 2.42 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 06:37:25 Nodes: 1 Procs: 1 Jun20-2024 06:37:27 Nodes: 1 Procs: 1 0 Jun20-2024 06:37:29 Nodes: 1 Procs: 1 Jun20-2024 06:37:31 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:37:33 Nodes: 1 Procs: 1 Jun20-2024 06:37:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:37:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.04 1.05 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 Jun20-2024 06:37:25 Nodes: 1 Procs: 1 Jun20-2024 06:37:27 Nodes: 1 Procs: 1 0 Jun20-2024 06:37:29 Nodes: 1 Procs: 1 Jun20-2024 06:37:31 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:37:33 Nodes: 1 Procs: 1 Jun20-2024 06:37:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:37:38 Nodes: 1 Procs: 1 Jun20-2024 06:37:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:37:41 Hydrogen (TZP) c11-1 c11-1 c11-1 c11-1 c11-1 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.04 2.16 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 Jun20-2024 06:37:25 Nodes: 1 Procs: 1 Jun20-2024 06:37:27 Nodes: 1 Procs: 1 0 Jun20-2024 06:37:29 Nodes: 1 Procs: 1 Jun20-2024 06:37:31 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:37:33 Nodes: 1 Procs: 1 Jun20-2024 06:37:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:37:38 Nodes: 1 Procs: 1 Jun20-2024 06:37:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 06:37:41 Nodes: 1 Procs: 1 Jun20-2024 06:37:43 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:37:47 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2706.6777000000056 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun20-2024 06:37:43 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun20-2024 06:37:31 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun20-2024 06:37:35 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun20-2024 06:37:39 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun20-2024 06:37:27 1 1 Hydrogen TZP 1 1 -16.99648773 0.23367683 0.00100000 F 0.08805139 0.00066667 F 0.23367683 0.08805139 0.29907831 0.01000000 F 0.06416012 0.00666667 F Cartesian 2706.6777000000056 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0.3190184E+03 3,-3 14 3 -3 -1.126166 -0.916274 -0.953824 Rho 0.3190289E+03 3,-3 15 3 -3 0.978997 0.943007 -0.979271 Rho 0.3190253E+03 3,-3 16 3 -3 -0.979809 0.997618 1.023802 Rho 0.3189882E+03 3,-3 17 3 -3 -3.068819 -1.138899 1.190472 Rho 0.3188697E+03 3,-3 18 3 -3 3.217231 -1.226954 -1.208207 Rho 0.3187981E+03 3,-3 19 3 -3 -3.139355 1.100849 -1.163810 Rho 0.3188782E+03 3,-3 20 3 -3 3.097235 1.240007 1.245833 Rho 0.3187992E+03 3,-3 21 3 -3 1.360969 -1.298673 -3.178215 Rho 0.3186623E+03 3,-3 22 3 -3 1.082683 1.181860 3.042912 Rho 0.3188957E+03 3,-3 23 3 -3 -1.214467 1.076313 -3.042318 Rho 0.3188829E+03 3,-3 24 3 -3 -1.202230 -1.137459 3.018040 Rho 0.3188731E+03 3,-3 25 3 -3 -1.183044 2.936373 -1.214588 Rho 0.3188352E+03 3,-3 26 3 -3 -1.203217 -2.967154 1.187081 Rho 0.3188604E+03 3,-3 27 3 -3 1.106520 3.100757 1.196247 Rho 0.3188811E+03 3,-3 28 3 -3 1.113778 -3.093918 -1.176696 Rho 0.3189549E+03 3,-3 29 3 -3 3.428737 -1.598957 1.583445 Rho 0.3188808E+03 3,-3 30 3 -3 -3.493959 -1.554121 -1.486596 Rho 0.3189340E+03 3,-3 31 3 -3 3.496607 1.588615 -1.552744 Rho 0.3188606E+03 3,-3 32 3 -3 -3.500264 1.470000 1.583226 Rho 0.3189049E+03 3,-3 33 3 -3 1.404809 -1.545793 3.517384 Rho 0.3189189E+03 3,-3 34 3 -3 1.449454 1.490904 -3.462860 Rho 0.3189193E+03 3,-3 35 3 -3 -1.570623 1.530850 3.468730 Rho 0.3189324E+03 3,-3 36 3 -3 -1.856039 -1.607221 -3.530328 Rho 0.3187023E+03 3,-3 37 3 -3 -1.475227 -3.468819 -1.402812 Rho 0.3187293E+03 3,-3 38 3 -3 -1.547298 3.450416 1.588812 Rho 0.3188930E+03 3,-3 39 3 -3 1.422914 -3.497850 1.615070 Rho 0.3189479E+03 3,-3 40 3 -3 1.442925 3.463050 -1.578219 Rho 0.3189224E+03 3,-3 41 3 -3 -0.322079 -3.765485 3.804543 Rho 0.3192201E+03 3,-3 42 3 -3 3.942742 -0.119570 -3.886556 Rho 0.3190753E+03 3,-3 43 3 -3 -0.262897 3.698212 -3.808876 Rho 0.3192244E+03 3,-3 44 3 -3 0.209599 3.764859 3.815932 Rho 0.3192089E+03 3,-3 45 3 -3 3.731181 -3.976442 -0.223095 Rho 0.3190510E+03 3,-3 46 3 -3 3.791056 3.895803 0.192998 Rho 0.3190929E+03 3,-3 47 3 -3 -3.825249 3.819385 -0.192415 Rho 0.3191058E+03 3,-3 48 3 -3 -3.793366 -3.721446 0.233379 Rho 0.3192349E+03 3,-3 49 3 -3 -3.851435 0.296737 -3.741552 Rho 0.3192288E+03 3,-3 50 3 -3 -3.761458 -0.224569 3.841461 Rho 0.3192327E+03 3,-3 51 3 -3 3.789024 0.147962 3.886537 Rho 0.3190822E+03 3,-3 52 3 -3 -1.537903 -2.295268 -2.887200 Rho 0.4477585E+00 3,-3 53 3 -3 -0.455062 -3.294353 -1.267607 Rho 0.3960499E+00 3,-3 54 3 -3 1.145600 -1.965299 -2.449301 Rho 0.4270519E+00 3,-3 55 3 +1 -1.771276 0.623911 -0.434621 Rho 0.8530194E-02 |GRAD(Rho)| 0.1367930E-13 GRAD(Rho)x 0.9747172E-14 GRAD(Rho)y -0.2639736E-14 GRAD(Rho)z 0.9227547E-14 Laplacian 0.3286907E-01 (-1/4)Del**2(Rho)) -0.8217268E-02 Diamond 0.8372436E-03 Metallicity 0.7466045E+00 Ellipticity -0.1413626E+01 Gb(Abramov) 0.6500686E-02 Vb(Abramov) -0.4784105E-02 Hb(Abramov) 0.1716581E-02 Ex_ueg -0.1287252E-02 Ec_ueg -0.3018579E-03 Delta_ex -0.1483617E-02 Delta_ec 0.4359608E-03 Delta_et -0.2995166E-02 Pxc 0.4264431E+01 Qxc -0.3403098E+01 3,+1 56 3 +1 -0.268169 -0.506767 -3.100328 Rho 0.3090896E-02 |GRAD(Rho)| 0.4667957E-17 GRAD(Rho)x -0.2730852E-17 GRAD(Rho)y 0.3768390E-17 GRAD(Rho)z 0.3626480E-18 Laplacian 0.1168492E-01 (-1/4)Del**2(Rho)) -0.2921230E-02 Diamond 0.1157564E-03 Metallicity 0.3867777E+00 Ellipticity -0.1478992E+01 Gb(Abramov) 0.2135797E-02 Vb(Abramov) -0.1350365E-02 Hb(Abramov) 0.7854321E-03 Ex_ueg -0.3325300E-03 Ec_ueg -0.6570470E-04 Delta_ex -0.4834700E-03 Delta_ec 0.2825769E-03 Delta_et -0.1362699E-02 Pxc 0.5060977E+01 Qxc -0.1710933E+01 3,+1 57 3 +1 -2.181712 -2.179841 -2.041585 Rho 0.1214790E-01 |GRAD(Rho)| 0.1830529E-15 GRAD(Rho)x -0.9300102E-16 GRAD(Rho)y -0.4727331E-16 GRAD(Rho)z 0.1504141E-15 Laplacian 0.5380563E-01 (-1/4)Del**2(Rho)) -0.1345141E-01 Diamond 0.1983805E-02 Metallicity 0.8221559E+00 Ellipticity -0.1293436E+01 Gb(Abramov) 0.1081080E-01 Vb(Abramov) -0.8170187E-02 Hb(Abramov) 0.2640610E-02 Ex_ueg -0.2062466E-02 Ec_ueg -0.4664009E-03 Delta_ex -0.2594008E-02 Delta_ec 0.5924512E-03 Delta_et -0.4536600E-02 Pxc 0.4422087E+01 Qxc -0.4378433E+01 3,+1 58 3 +3 0.024048 2.338295 -0.013636 Rho 0.4351255E-02 |GRAD(Rho)| 0.1399013E-12 GRAD(Rho)x -0.3684546E-13 GRAD(Rho)y 0.3584736E-13 GRAD(Rho)z 0.1301144E-12 Laplacian 0.1746903E-01 (-1/4)Del**2(Rho)) -0.4367257E-02 Diamond 0.1438174E-03 Metallicity 0.4574764E+00 Ellipticity -0.3036162E+00 Gb(Abramov) 0.3244491E-02 Vb(Abramov) -0.2121724E-02 Hb(Abramov) 0.1122766E-02 Ex_ueg -0.5246517E-03 Ec_ueg -0.1191024E-03 Delta_ex -0.6288021E-03 Delta_ec 0.1626462E-03 Delta_et -0.1005819E-02 Pxc 0.4405048E+01 Qxc -0.3866072E+01 3,+3 59 3 +1 -1.735547 -0.463127 0.614924 Rho 0.8940283E-02 |GRAD(Rho)| 0.2370750E-16 GRAD(Rho)x -0.1917093E-16 GRAD(Rho)y -0.7278959E-17 GRAD(Rho)z 0.1189696E-16 Laplacian 0.3478413E-01 (-1/4)Del**2(Rho)) -0.8696033E-02 Diamond 0.9510337E-03 Metallicity 0.7629290E+00 Ellipticity -0.1429048E+01 Gb(Abramov) 0.6903098E-02 Vb(Abramov) -0.5110163E-02 Hb(Abramov) 0.1792935E-02 Ex_ueg -0.1370419E-02 Ec_ueg -0.3202309E-03 Delta_ex -0.1591781E-02 Delta_ec 0.4662434E-03 Delta_et -0.3237306E-02 Pxc 0.4279472E+01 Qxc -0.3414055E+01 3,+1 60 3 -1 -3.231696 -3.158125 0.086434 Rho 0.2316212E+00 |GRAD(Rho)| 0.8309764E-15 GRAD(Rho)x 0.4415955E-15 GRAD(Rho)y 0.7035930E-15 GRAD(Rho)z -0.2172470E-16 Laplacian 0.8690084E+00 (-1/4)Del**2(Rho)) -0.2172521E+00 Diamond 0.2931835E+01 Metallicity 0.6927127E+01 Ellipticity 0.1966677E-02 Gb(Abramov) 0.3956569E+00 Vb(Abramov) -0.5740617E+00 Hb(Abramov) -0.1784048E+00 Ex_ueg -0.1050565E+00 Ec_ueg -0.1386184E-01 Delta_ex -0.1039537E+00 Delta_ec 0.1926986E-01 Delta_et -0.2660098E+00 Pxc 0.7578829E+01 Qxc -0.5394626E+01 3,-1 61 3 +3 -1.155866 -1.079028 1.154363 Rho 0.5278432E-02 |GRAD(Rho)| 0.9152339E-16 GRAD(Rho)x -0.3615977E-16 GRAD(Rho)y -0.8176636E-16 GRAD(Rho)z 0.1957714E-16 Laplacian 0.2070827E-01 (-1/4)Del**2(Rho)) -0.5177068E-02 Diamond 0.1562130E-03 Metallicity 0.5324893E+00 Ellipticity -0.1712480E+00 Gb(Abramov) 0.3910834E-02 Vb(Abramov) -0.2644600E-02 Hb(Abramov) 0.1266234E-02 Ex_ueg -0.6787737E-03 Ec_ueg -0.1589145E-03 Delta_ex -0.7267103E-03 Delta_ec 0.9191563E-04 Delta_et -0.7324047E-03 Pxc 0.4271314E+01 Qxc -0.7906275E+01 3,+3 62 3 -1 -1.546001 -2.687829 -2.364430 Rho 0.3042474E-01 |GRAD(Rho)| 0.3008311E-16 GRAD(Rho)x 0.1591759E-17 GRAD(Rho)y -0.1272412E-16 GRAD(Rho)z 0.2721316E-16 Laplacian 0.9162868E-01 (-1/4)Del**2(Rho)) -0.2290717E-01 Diamond 0.3446830E-01 Metallicity 0.2229940E+01 Ellipticity 0.2423707E-01 Gb(Abramov) 0.2378505E-01 Vb(Abramov) -0.2466293E-01 Hb(Abramov) -0.8778789E-03 Ex_ueg -0.7014890E-02 Ec_ueg -0.1365537E-02 Delta_ex -0.7575837E-02 Delta_ec 0.4354706E-02 Delta_et -0.4008211E-01 Pxc 0.5137095E+01 Qxc -0.1739690E+01 3,-1 63 3 -1 -3.056933 1.977341 0.904444 Rho 0.1144266E+00 |GRAD(Rho)| 0.8200018E-16 GRAD(Rho)x 0.3090654E-16 GRAD(Rho)y 0.4877555E-16 GRAD(Rho)z -0.5822166E-16 Laplacian 0.4683525E+00 (-1/4)Del**2(Rho)) -0.1170881E+00 Diamond 0.7063417E+00 Metallicity 0.3968123E+01 Ellipticity 0.1185536E-01 Gb(Abramov) 0.1554954E+00 Vb(Abramov) -0.1939028E+00 Hb(Abramov) -0.3840731E-01 Ex_ueg -0.4102869E-01 Ec_ueg -0.6206960E-02 Delta_ex -0.4741271E-01 Delta_ec 0.1320916E-01 Delta_et -0.1691613E+00 Pxc 0.6610110E+01 Qxc -0.3589381E+01 3,-1 64 3 +3 -2.404945 0.112062 0.119440 Rho 0.4715333E-02 |GRAD(Rho)| 0.1335218E-12 GRAD(Rho)x 0.7535715E-13 GRAD(Rho)y -0.7626997E-13 GRAD(Rho)z -0.7957553E-13 Laplacian 0.1937397E-01 (-1/4)Del**2(Rho)) -0.4843492E-02 Diamond 0.1670930E-03 Metallicity 0.4716088E+00 Ellipticity -0.3218450E+00 Gb(Abramov) 0.3609700E-02 Vb(Abramov) -0.2375908E-02 Hb(Abramov) 0.1233792E-02 Ex_ueg -0.5839848E-03 Ec_ueg -0.1346831E-03 Delta_ex -0.7009758E-03 Delta_ec 0.1610501E-03 Delta_et -0.1042001E-02 Pxc 0.4335993E+01 Qxc -0.4352534E+01 3,+3 65 3 +1 -3.015377 -0.132784 -0.099508 Rho 0.5694632E-02 |GRAD(Rho)| 0.3998707E-17 GRAD(Rho)x -0.9001692E-18 GRAD(Rho)y 0.1904437E-17 GRAD(Rho)z 0.3398893E-17 Laplacian 0.2314288E-01 (-1/4)Del**2(Rho)) -0.5785719E-02 Diamond 0.6548815E-03 Metallicity 0.5407194E+00 Ellipticity -0.8086931E+01 Gb(Abramov) 0.4378554E-02 Vb(Abramov) -0.2971390E-02 Hb(Abramov) 0.1407165E-02 Ex_ueg -0.7510565E-03 Ec_ueg -0.1769270E-03 Delta_ex -0.1189550E-02 Delta_ec 0.7454886E-03 Delta_et -0.4203048E-02 Pxc 0.4245007E+01 Qxc -0.1595665E+01 3,+1 66 3 +1 -3.046188 0.186907 0.212652 Rho 0.5579830E-02 |GRAD(Rho)| 0.7242878E-12 GRAD(Rho)x -0.1868560E-12 GRAD(Rho)y 0.4771084E-12 GRAD(Rho)z 0.5119036E-12 Laplacian 0.2249784E-01 (-1/4)Del**2(Rho)) -0.5624461E-02 Diamond 0.5398128E-03 Metallicity 0.5376595E+00 Ellipticity -0.2192110E+01 Gb(Abramov) 0.4253648E-02 Vb(Abramov) -0.2882835E-02 Hb(Abramov) 0.1370813E-02 Ex_ueg -0.7309366E-03 Ec_ueg -0.1719500E-03 Delta_ex -0.1087950E-02 Delta_ec 0.6106864E-03 Delta_et -0.3466495E-02 Pxc 0.4250868E+01 Qxc -0.1781520E+01 3,+1 67 3 -1 -2.819174 -1.771687 0.598693 Rho 0.1455456E+00 |GRAD(Rho)| 0.4626430E-13 GRAD(Rho)x -0.2306194E-13 GRAD(Rho)y -0.3985279E-13 GRAD(Rho)z -0.4504128E-14 Laplacian 0.6031556E+00 (-1/4)Del**2(Rho)) -0.1507889E+00 Diamond 0.1173671E+01 Metallicity 0.4600967E+01 Ellipticity 0.2088944E-01 Gb(Abramov) 0.2161551E+00 Vb(Abramov) -0.2815212E+00 Hb(Abramov) -0.6536616E-01 Ex_ueg -0.5654367E-01 Ec_ueg -0.8158983E-02 Delta_ex -0.6424248E-01 Delta_ec 0.1532248E-01 Delta_et -0.2028923E+00 Pxc 0.6930235E+01 Qxc -0.4192695E+01 3,-1 68 3 -1 -3.063032 -0.852822 -1.976962 Rho 0.1176464E+00 |GRAD(Rho)| 0.1109324E-15 GRAD(Rho)x 0.4362558E-16 GRAD(Rho)y 0.3828589E-16 GRAD(Rho)z -0.9453565E-16 Laplacian 0.4451971E+00 (-1/4)Del**2(Rho)) -0.1112993E+00 Diamond 0.6785193E+00 Metallicity 0.4372117E+01 Ellipticity 0.9055802E-02 Gb(Abramov) 0.1553018E+00 Vb(Abramov) -0.1993042E+00 Hb(Abramov) -0.4400248E-01 Ex_ueg -0.4257518E-01 Ec_ueg -0.6405885E-02 Delta_ex -0.4514749E-01 Delta_ec 0.1209134E-01 Delta_et -0.1550584E+00 Pxc 0.6646260E+01 Qxc -0.3733872E+01 3,-1 69 3 +3 2.427532 -0.032299 0.015433 Rho 0.3572582E-02 |GRAD(Rho)| 0.5324241E-14 GRAD(Rho)x -0.2026388E-14 GRAD(Rho)y -0.4771814E-14 GRAD(Rho)z -0.1212886E-14 Laplacian 0.1367997E-01 (-1/4)Del**2(Rho)) -0.3419992E-02 Diamond 0.8313823E-04 Metallicity 0.4205638E+00 Ellipticity -0.1281903E+00 Gb(Abramov) 0.2519715E-02 Vb(Abramov) -0.1619439E-02 Hb(Abramov) 0.9002764E-03 Ex_ueg -0.4033618E-03 Ec_ueg -0.8601206E-04 Delta_ex -0.4640842E-03 Delta_ec 0.1193563E-03 Delta_et -0.7146528E-03 Pxc 0.4689596E+01 Qxc -0.3888226E+01 3,+3 70 3 +1 -0.550589 -0.547645 1.678968 Rho 0.8630335E-02 |GRAD(Rho)| 0.1579555E-16 GRAD(Rho)x -0.3822565E-17 GRAD(Rho)y -0.1156787E-17 GRAD(Rho)z 0.1528232E-16 Laplacian 0.3379175E-01 (-1/4)Del**2(Rho)) -0.8447938E-02 Diamond 0.9148500E-03 Metallicity 0.7404831E+00 Ellipticity -0.1449448E+01 Gb(Abramov) 0.6674551E-02 Vb(Abramov) -0.4901165E-02 Hb(Abramov) 0.1773387E-02 Ex_ueg -0.1307440E-02 Ec_ueg -0.3063376E-03 Delta_ex -0.1547892E-02 Delta_ec 0.4804606E-03 Delta_et -0.3282880E-02 Pxc 0.4267973E+01 Qxc -0.3221683E+01 3,+1 71 3 -1 -1.737984 0.557983 1.782414 Rho 0.4643778E-01 |GRAD(Rho)| 0.8490077E-16 GRAD(Rho)x -0.7256023E-16 GRAD(Rho)y -0.1350742E-16 GRAD(Rho)z 0.4196074E-16 Laplacian 0.1849048E+00 (-1/4)Del**2(Rho)) -0.4622619E-01 Diamond 0.8347838E-01 Metallicity 0.2235892E+01 Ellipticity 0.1405948E-01 Gb(Abramov) 0.4804359E-01 Vb(Abramov) -0.4986099E-01 Hb(Abramov) -0.1817397E-02 Ex_ueg -0.1232765E-01 Ec_ueg -0.2218935E-02 Delta_ex -0.1487853E-01 Delta_ec 0.5402506E-02 Delta_et -0.5584870E-01 Pxc 0.5555662E+01 Qxc -0.2754005E+01 3,-1 72 3 -1 -3.022553 -0.086926 -0.054479 Rho 0.5695510E-02 |GRAD(Rho)| 0.6024596E-17 GRAD(Rho)x 0.5388454E-18 GRAD(Rho)y 0.6832103E-18 GRAD(Rho)z -0.5961428E-17 Laplacian 0.2287044E-01 (-1/4)Del**2(Rho)) -0.5717610E-02 Diamond 0.6872731E-03 Metallicity 0.5473010E+00 Ellipticity 0.7760634E+01 Gb(Abramov) 0.4333283E-02 Vb(Abramov) -0.2948955E-02 Hb(Abramov) 0.1384328E-02 Ex_ueg -0.7512108E-03 Ec_ueg -0.1769651E-03 Delta_ex -0.1206778E-02 Delta_ec 0.7924096E-03 Delta_et -0.4446147E-02 Pxc 0.4244966E+01 Qxc -0.1522921E+01 3,-1 73 3 -1 -2.813875 -0.537740 1.855077 Rho 0.1272082E+00 |GRAD(Rho)| 0.9545839E-13 GRAD(Rho)x -0.1625829E-13 GRAD(Rho)y 0.8994345E-13 GRAD(Rho)z -0.2753451E-13 Laplacian 0.5252163E+00 (-1/4)Del**2(Rho)) -0.1313041E+00 Diamond 0.8736834E+00 Metallicity 0.4221502E+01 Ellipticity 0.9365405E-02 Gb(Abramov) 0.1799195E+00 Vb(Abramov) -0.2285348E+00 Hb(Abramov) -0.4861538E-01 Ex_ueg -0.4725039E-01 Ec_ueg -0.7000903E-02 Delta_ex -0.5419456E-01 Delta_ec 0.1388147E-01 Delta_et -0.1802190E+00 Pxc 0.6749185E+01 Qxc -0.3904094E+01 3,-1 74 3 -1 -3.209108 -0.055574 3.276647 Rho 0.2327062E+00 |GRAD(Rho)| 0.1917971E-14 GRAD(Rho)x 0.1378726E-14 GRAD(Rho)y 0.3029532E-15 GRAD(Rho)z -0.1298441E-14 Laplacian 0.8577757E+00 (-1/4)Del**2(Rho)) -0.2144439E+00 Diamond 0.2920467E+01 Metallicity 0.7072713E+01 Ellipticity 0.3822014E-02 Gb(Abramov) 0.3957460E+00 Vb(Abramov) -0.5770481E+00 Hb(Abramov) -0.1813021E+00 Ex_ueg -0.1057131E+00 Ec_ueg -0.1393637E-01 Delta_ex -0.1027916E+00 Delta_ec 0.1909586E-01 Delta_et -0.2640891E+00 Pxc 0.7585414E+01 Qxc -0.5382926E+01 3,-1 75 3 -1 -3.282739 0.127443 -3.192075 Rho 0.2318120E+00 |GRAD(Rho)| 0.4379960E-15 GRAD(Rho)x 0.3015708E-15 GRAD(Rho)y -0.1821731E-15 GRAD(Rho)z 0.2602085E-15 Laplacian 0.8646901E+00 (-1/4)Del**2(Rho)) -0.2161725E+00 Diamond 0.2923076E+01 Metallicity 0.6971278E+01 Ellipticity 0.4313079E-02 Gb(Abramov) 0.3952815E+00 Vb(Abramov) -0.5743905E+00 Hb(Abramov) -0.1791090E+00 Ex_ueg -0.1051719E+00 Ec_ueg -0.1387493E-01 Delta_ex -0.1034756E+00 Delta_ec 0.1919854E-01 Delta_et -0.2651576E+00 Pxc 0.7579989E+01 Qxc -0.5389762E+01 3,-1 76 3 -1 -2.883782 0.554625 -1.803526 Rho 0.1623199E+00 |GRAD(Rho)| 0.3730989E-15 GRAD(Rho)x -0.2468864E-15 GRAD(Rho)y -0.2634069E-15 GRAD(Rho)z -0.9416296E-16 Laplacian 0.6748985E+00 (-1/4)Del**2(Rho)) -0.1687246E+00 Diamond 0.1494837E+01 Metallicity 0.4931671E+01 Ellipticity 0.1037835E-01 Gb(Abramov) 0.2511655E+00 Vb(Abramov) -0.3336063E+00 Hb(Abramov) -0.8244086E-01 Ex_ueg -0.6539541E-01 Ec_ueg -0.9236771E-02 Delta_ex -0.7382594E-01 Delta_ec 0.1664572E-01 Delta_et -0.2235454E+00 Pxc 0.7079900E+01 Qxc -0.4435130E+01 3,-1 77 3 -1 -3.046414 0.847719 2.053314 Rho 0.1497857E+00 |GRAD(Rho)| 0.5122794E-14 GRAD(Rho)x 0.4414139E-14 GRAD(Rho)y 0.4945046E-15 GRAD(Rho)z -0.2552225E-14 Laplacian 0.5850743E+00 (-1/4)Del**2(Rho)) -0.1462686E+00 Diamond 0.1178197E+01 Metallicity 0.4975686E+01 Ellipticity 0.3160976E-01 Gb(Abramov) 0.2188101E+00 Vb(Abramov) -0.2913517E+00 Hb(Abramov) -0.7254155E-01 Ex_ueg -0.5875061E-01 Ec_ueg -0.8429800E-02 Delta_ex -0.6275527E-01 Delta_ec 0.1475333E-01 Delta_et -0.1961344E+00 Pxc 0.6969395E+01 Qxc -0.4253635E+01 3,-1 78 3 -1 -3.046456 -1.984358 -0.831340 Rho 0.1492544E+00 |GRAD(Rho)| 0.1775696E-15 GRAD(Rho)x 0.1168092E-15 GRAD(Rho)y -0.2694242E-16 GRAD(Rho)z 0.1309987E-15 Laplacian 0.5930991E+00 (-1/4)Del**2(Rho)) -0.1482748E+00 Diamond 0.1189376E+01 Metallicity 0.4879377E+01 Ellipticity 0.7594691E-01 Gb(Abramov) 0.2194313E+00 Vb(Abramov) -0.2905878E+00 Hb(Abramov) -0.7115650E-01 Ex_ueg -0.5847288E-01 Ec_ueg -0.8395801E-02 Delta_ex -0.6356148E-01 Delta_ec 0.1497083E-01 Delta_et -0.1989327E+00 Pxc 0.6964539E+01 Qxc -0.4245689E+01 3,-1 79 3 -1 -2.868110 1.786223 -0.546308 Rho 0.1070635E+00 |GRAD(Rho)| 0.1591327E-15 GRAD(Rho)x 0.2880590E-16 GRAD(Rho)y 0.1112798E-15 GRAD(Rho)z 0.1100465E-15 Laplacian 0.4644218E+00 (-1/4)Del**2(Rho)) -0.1161054E+00 Diamond 0.6505383E+00 Metallicity 0.3581815E+01 Ellipticity 0.2240414E-01 Gb(Abramov) 0.1467150E+00 Vb(Abramov) -0.1773245E+00 Hb(Abramov) -0.3060955E-01 Ex_ueg -0.3754687E-01 Ec_ueg -0.5754886E-02 Delta_ex -0.4635275E-01 Delta_ec 0.1340697E-01 Delta_et -0.1696580E+00 Pxc 0.6524347E+01 Qxc -0.3457362E+01 3,-1 80 3 -1 -1.863480 0.545392 -2.796428 Rho 0.1655960E+00 |GRAD(Rho)| 0.1477723E-14 GRAD(Rho)x -0.1322049E-14 GRAD(Rho)y -0.6543160E-15 GRAD(Rho)z 0.8787459E-16 Laplacian 0.6843051E+00 (-1/4)Del**2(Rho)) -0.1710763E+00 Diamond 0.1551513E+01 Metallicity 0.5028595E+01 Ellipticity 0.2295661E-01 Gb(Abramov) 0.2574297E+00 Vb(Abramov) -0.3437832E+00 Hb(Abramov) -0.8635345E-01 Ex_ueg -0.6716118E-01 Ec_ueg -0.9449249E-02 Delta_ex -0.7521995E-01 Delta_ec 0.1677635E-01 Delta_et -0.2258038E+00 Pxc 0.7107568E+01 Qxc -0.4483689E+01 3,-1 81 3 +3 -1.190069 1.085709 -1.120330 Rho 0.5225432E-02 |GRAD(Rho)| 0.1041494E-16 GRAD(Rho)x 0.4253048E-17 GRAD(Rho)y 0.7765424E-17 GRAD(Rho)z 0.5484585E-17 Laplacian 0.2003887E-01 (-1/4)Del**2(Rho)) -0.5009716E-02 Diamond 0.1530812E-03 Metallicity 0.5410994E+00 Ellipticity -0.3717294E+00 Gb(Abramov) 0.3791603E-02 Vb(Abramov) -0.2573490E-02 Hb(Abramov) 0.1218113E-02 Ex_ueg -0.6697016E-03 Ec_ueg -0.1566269E-03 Delta_ex -0.7047441E-03 Delta_ec 0.9518968E-04 Delta_et -0.7393739E-03 Pxc 0.4275776E+01 Qxc -0.7403577E+01 3,+3 82 3 +1 -2.215830 1.376843 1.128562 Rho 0.2600189E-01 |GRAD(Rho)| 0.1763080E-16 GRAD(Rho)x 0.1238738E-16 GRAD(Rho)y -0.5803473E-17 GRAD(Rho)z -0.1112285E-16 Laplacian 0.9819421E-01 (-1/4)Del**2(Rho)) -0.2454855E-01 Diamond 0.1257149E-01 Metallicity 0.1601531E+01 Ellipticity -0.3070135E+01 Gb(Abramov) 0.2291825E-01 Vb(Abramov) -0.2128794E-01 Hb(Abramov) 0.1630305E-02 Ex_ueg -0.5689292E-02 Ec_ueg -0.1139289E-02 Delta_ex -0.6070129E-02 Delta_ec 0.1485003E-02 Delta_et -0.1327149E-01 Pxc 0.4993722E+01 Qxc -0.4087621E+01 3,+1 83 3 -1 -2.022784 0.882243 3.053524 Rho 0.1564526E+00 |GRAD(Rho)| 0.1189212E-11 GRAD(Rho)x -0.6672741E-12 GRAD(Rho)y -0.8693672E-12 GRAD(Rho)z -0.4617055E-12 Laplacian 0.6087835E+00 (-1/4)Del**2(Rho)) -0.1521959E+00 Diamond 0.1295978E+01 Metallicity 0.5141877E+01 Ellipticity 0.5640014E-01 Gb(Abramov) 0.2318927E+00 Vb(Abramov) -0.3115895E+00 Hb(Abramov) -0.7969680E-01 Ex_ueg -0.6226283E-01 Ec_ueg -0.8857846E-02 Delta_ex -0.6604358E-01 Delta_ec 0.1525532E-01 Delta_et -0.2041688E+00 Pxc 0.7029116E+01 Qxc -0.4329215E+01 3,-1 84 3 +1 2.207534 1.015645 -1.448800 Rho 0.2298412E-01 |GRAD(Rho)| 0.3954364E-16 GRAD(Rho)x -0.3765196E-16 GRAD(Rho)y -0.1182323E-16 GRAD(Rho)z -0.2498162E-17 Laplacian 0.8375842E-01 (-1/4)Del**2(Rho)) -0.2093961E-01 Diamond 0.8919972E-02 Metallicity 0.1528614E+01 Ellipticity -0.2852110E+01 Gb(Abramov) 0.1929450E-01 Vb(Abramov) -0.1764940E-01 Hb(Abramov) 0.1645105E-02 Ex_ueg -0.4826389E-02 Ec_ueg -0.9877634E-03 Delta_ex -0.4992174E-02 Delta_ec 0.1239577E-02 Delta_et -0.1077029E-01 Pxc 0.4886179E+01 Qxc -0.4027321E+01 3,+1 85 3 +1 -1.835273 1.688408 -1.772771 Rho 0.1187561E-01 |GRAD(Rho)| 0.1396956E-16 GRAD(Rho)x 0.8865598E-17 GRAD(Rho)y -0.6699099E-17 GRAD(Rho)z -0.8465925E-17 Laplacian 0.5693559E-01 (-1/4)Del**2(Rho)) -0.1423390E-01 Diamond 0.2192290E-02 Metallicity 0.7481507E+00 Ellipticity -0.1276196E+01 Gb(Abramov) 0.1126412E-01 Vb(Abramov) -0.8294333E-02 Hb(Abramov) 0.2969782E-02 Ex_ueg -0.2001057E-02 Ec_ueg -0.4538297E-03 Delta_ex -0.2774324E-02 Delta_ec 0.7093279E-03 Delta_et -0.5328179E-02 Pxc 0.4409269E+01 Qxc -0.3911201E+01 3,+1 86 3 +1 0.541369 0.484181 1.692244 Rho 0.8389209E-02 |GRAD(Rho)| 0.5256067E-15 GRAD(Rho)x 0.2415293E-15 GRAD(Rho)y -0.3613610E-15 GRAD(Rho)z -0.2955404E-15 Laplacian 0.3250999E-01 (-1/4)Del**2(Rho)) -0.8127497E-02 Diamond 0.8447075E-03 Metallicity 0.7341724E+00 Ellipticity -0.1447655E+01 Gb(Abramov) 0.6412829E-02 Vb(Abramov) -0.4698161E-02 Hb(Abramov) 0.1714668E-02 Ex_ueg -0.1258963E-02 Ec_ueg -0.2955587E-03 Delta_ex -0.1477581E-02 Delta_ec 0.4604835E-03 Delta_et -0.3124881E-02 Pxc 0.4259606E+01 Qxc -0.3208761E+01 3,+1 87 3 -1 -1.811387 -1.667085 -0.503307 Rho 0.5669850E-01 |GRAD(Rho)| 0.7371738E-16 GRAD(Rho)x 0.1982904E-17 GRAD(Rho)y 0.7009367E-16 GRAD(Rho)z -0.2274199E-16 Laplacian 0.2280744E+00 (-1/4)Del**2(Rho)) -0.5701860E-01 Diamond 0.1364791E+00 Metallicity 0.2528265E+01 Ellipticity 0.1618295E-01 Gb(Abramov) 0.6203875E-01 Vb(Abramov) -0.6705891E-01 Hb(Abramov) -0.5020154E-02 Ex_ueg -0.1608720E-01 Ec_ueg -0.2788356E-02 Delta_ex -0.1935488E-01 Delta_ec 0.6744421E-02 Delta_et -0.7344927E-01 Pxc 0.5769421E+01 Qxc -0.2869762E+01 3,-1 88 3 +1 -1.491624 -1.939686 -1.923072 Rho 0.1165166E-01 |GRAD(Rho)| 0.7670155E-17 GRAD(Rho)x -0.4493525E-18 GRAD(Rho)y -0.2807148E-18 GRAD(Rho)z -0.7651833E-17 Laplacian 0.5224915E-01 (-1/4)Del**2(Rho)) -0.1306229E-01 Diamond 0.1972275E-02 Metallicity 0.7897937E+00 Ellipticity -0.1329066E+01 Gb(Abramov) 0.1042761E-01 Vb(Abramov) -0.7792933E-02 Hb(Abramov) 0.2634677E-02 Ex_ueg -0.1950902E-02 Ec_ueg -0.4435124E-03 Delta_ex -0.2536854E-02 Delta_ec 0.6575443E-03 Delta_et -0.4911153E-02 Pxc 0.4398754E+01 Qxc -0.3858073E+01 3,+1 89 3 -1 -0.243937 -1.454312 -3.330925 Rho 0.5424537E-02 |GRAD(Rho)| 0.8146412E-17 GRAD(Rho)x 0.7938044E-17 GRAD(Rho)y 0.8726409E-18 GRAD(Rho)z -0.1609341E-17 Laplacian 0.1955551E-01 (-1/4)Del**2(Rho)) -0.4888877E-02 Diamond 0.7028470E-03 Metallicity 0.5901310E+00 Ellipticity 0.1514702E+00 Gb(Abramov) 0.3740098E-02 Vb(Abramov) -0.2591318E-02 Hb(Abramov) 0.1148779E-02 Ex_ueg -0.7039394E-03 Ec_ueg -0.1652278E-03 Delta_ex -0.1149375E-02 Delta_ec 0.9042948E-03 Delta_et -0.4917156E-02 Pxc 0.4260416E+01 Qxc -0.1271018E+01 3,-1 90 3 -1 -1.973265 -2.998350 -0.773524 Rho 0.1367233E+00 |GRAD(Rho)| 0.4420120E-12 GRAD(Rho)x -0.2741895E-12 GRAD(Rho)y 0.1930751E-12 GRAD(Rho)z 0.2879526E-12 Laplacian 0.4995556E+00 (-1/4)Del**2(Rho)) -0.1248889E+00 Diamond 0.9205563E+00 Metallicity 0.5005338E+01 Ellipticity 0.8409924E-01 Gb(Abramov) 0.1874445E+00 Vb(Abramov) -0.2500000E+00 Hb(Abramov) -0.6255557E-01 Ex_ueg -0.5202056E-01 Ec_ueg -0.7599109E-02 Delta_ex -0.5261410E-01 Delta_ec 0.1326519E-01 Delta_et -0.1747998E+00 Pxc 0.6845614E+01 Qxc -0.3966328E+01 3,-1 91 3 -1 -1.839370 -2.731508 0.593939 Rho 0.1454160E+00 |GRAD(Rho)| 0.4849244E-15 GRAD(Rho)x -0.4407553E-15 GRAD(Rho)y 0.1141733E-15 GRAD(Rho)z -0.1668858E-15 Laplacian 0.6128439E+00 (-1/4)Del**2(Rho)) -0.1532110E+00 Diamond 0.1194322E+01 Metallicity 0.4521513E+01 Ellipticity 0.1102001E-01 Gb(Abramov) 0.2175982E+00 Vb(Abramov) -0.2819854E+00 Hb(Abramov) -0.6438723E-01 Ex_ueg -0.5647654E-01 Ec_ueg -0.8150722E-02 Delta_ex -0.6529205E-01 Delta_ec 0.1562901E-01 Delta_et -0.2070513E+00 Pxc 0.6929023E+01 Qxc -0.4177618E+01 3,-1 92 3 +3 -0.093110 -2.272836 -0.076514 Rho 0.4441902E-02 |GRAD(Rho)| 0.2383384E-17 GRAD(Rho)x 0.7397810E-18 GRAD(Rho)y 0.2264911E-17 GRAD(Rho)z -0.5849182E-19 Laplacian 0.1786847E-01 (-1/4)Del**2(Rho)) -0.4467119E-02 Diamond 0.1282731E-03 Metallicity 0.4628858E+00 Ellipticity -0.3333845E+00 Gb(Abramov) 0.3322707E-02 Vb(Abramov) -0.2178295E-02 Hb(Abramov) 0.1144412E-02 Ex_ueg -0.5392750E-03 Ec_ueg -0.1229752E-03 Delta_ex -0.6215473E-03 Delta_ec 0.1217060E-03 Delta_et -0.8181556E-03 Pxc 0.4385235E+01 Qxc -0.5106957E+01 3,+3 93 3 -1 -1.745796 1.740353 0.569379 Rho 0.4467289E-01 |GRAD(Rho)| 0.4980749E-16 GRAD(Rho)x -0.3807583E-16 GRAD(Rho)y 0.1865124E-16 GRAD(Rho)z -0.2613711E-16 Laplacian 0.1898693E+00 (-1/4)Del**2(Rho)) -0.4746733E-01 Diamond 0.8807844E-01 Metallicity 0.2041261E+01 Ellipticity 0.1399845E-01 Gb(Abramov) 0.4779376E-01 Vb(Abramov) -0.4812018E-01 Hb(Abramov) -0.3264237E-03 Ex_ueg -0.1170695E-01 Ec_ueg -0.2122599E-02 Delta_ex -0.1546858E-01 Delta_ec 0.6153503E-02 Delta_et -0.6308568E-01 Pxc 0.5515386E+01 Qxc -0.2513784E+01 3,-1 94 3 +1 -1.405835 2.195911 1.118891 Rho 0.2749440E-01 |GRAD(Rho)| 0.3306927E-14 GRAD(Rho)x -0.2445958E-14 GRAD(Rho)y 0.1330158E-14 GRAD(Rho)z -0.1784302E-14 Laplacian 0.1060363E+00 (-1/4)Del**2(Rho)) -0.2650907E-01 Diamond 0.1505480E-01 Metallicity 0.1627668E+01 Ellipticity -0.3480711E+01 Gb(Abramov) 0.2486404E-01 Vb(Abramov) -0.2321901E-01 Hb(Abramov) 0.1645028E-02 Ex_ueg -0.6128829E-02 Ec_ueg -0.1215105E-02 Delta_ex -0.6692912E-02 Delta_ec 0.1670507E-02 Delta_et -0.1511093E-01 Pxc 0.5043866E+01 Qxc -0.4006515E+01 3,+1 95 3 -1 -1.838856 2.749984 -0.576179 Rho 0.1225538E+00 |GRAD(Rho)| 0.1333804E-13 GRAD(Rho)x -0.1117841E-13 GRAD(Rho)y 0.7227898E-14 GRAD(Rho)z 0.8390912E-15 Laplacian 0.5293624E+00 (-1/4)Del**2(Rho)) -0.1323406E+00 Diamond 0.8658048E+00 Metallicity 0.3936150E+01 Ellipticity 0.1063616E-01 Gb(Abramov) 0.1750458E+00 Vb(Abramov) -0.2177510E+00 Hb(Abramov) -0.4270520E-01 Ex_ueg -0.4495945E-01 Ec_ueg -0.6710482E-02 Delta_ex -0.5444695E-01 Delta_ec 0.1466905E-01 Delta_et -0.1901934E+00 Pxc 0.6699883E+01 Qxc -0.3711688E+01 3,-1 96 3 -1 -2.026842 3.022048 0.909843 Rho 0.1268426E+00 |GRAD(Rho)| 0.4609116E-15 GRAD(Rho)x 0.1871468E-15 GRAD(Rho)y 0.1913075E-15 GRAD(Rho)z 0.3752559E-15 Laplacian 0.5152429E+00 (-1/4)Del**2(Rho)) -0.1288107E+00 Diamond 0.8760792E+00 Metallicity 0.4282623E+01 Ellipticity 0.3009721E-01 Gb(Abramov) 0.1778151E+00 Vb(Abramov) -0.2268195E+00 Hb(Abramov) -0.4900440E-01 Ex_ueg -0.4706941E-01 Ec_ueg -0.6978037E-02 Delta_ex -0.5340208E-01 Delta_ec 0.1411527E-01 Delta_et -0.1840421E+00 Pxc 0.6745365E+01 Qxc -0.3783284E+01 3,-1 97 3 +3 -1.857077 -1.916824 -1.886654 Rho 0.1108718E-01 |GRAD(Rho)| 0.1307687E-16 GRAD(Rho)x 0.3630190E-18 GRAD(Rho)y 0.2392550E-17 GRAD(Rho)z -0.1285101E-16 Laplacian 0.5064411E-01 (-1/4)Del**2(Rho)) -0.1266103E-01 Diamond 0.1035072E-02 Metallicity 0.7501002E+00 Ellipticity -0.5669037E+00 Gb(Abramov) 0.1002352E-01 Vb(Abramov) -0.7386022E-02 Hb(Abramov) 0.2637502E-02 Ex_ueg -0.1825912E-02 Ec_ueg -0.4175956E-03 Delta_ex -0.2185815E-02 Delta_ec 0.2068807E-03 Delta_et -0.1881535E-02 Pxc 0.4372440E+01 Qxc -0.1056558E+02 3,+3 98 3 +1 -1.807424 -1.726675 1.780951 Rho 0.1265540E-01 |GRAD(Rho)| 0.2112781E-16 GRAD(Rho)x -0.4534394E-17 GRAD(Rho)y -0.1008532E-16 GRAD(Rho)z -0.1800305E-16 Laplacian 0.6347907E-01 (-1/4)Del**2(Rho)) -0.1586977E-01 Diamond 0.2680984E-02 Metallicity 0.7460638E+00 Ellipticity -0.1251663E+01 Gb(Abramov) 0.1255316E-01 Vb(Abramov) -0.9236543E-02 Hb(Abramov) 0.3316613E-02 Ex_ueg -0.2178143E-02 Ec_ueg -0.4899087E-03 Delta_ex -0.3149600E-02 Delta_ec 0.7974526E-03 Delta_et -0.6077416E-02 Pxc 0.4446019E+01 Qxc -0.3949576E+01 3,+1 99 3 -1 -1.609424 -2.139185 -3.031636 Rho 0.3218069E+00 |GRAD(Rho)| 0.6486764E-15 GRAD(Rho)x -0.4078675E-17 GRAD(Rho)y 0.5216126E-15 GRAD(Rho)z 0.3855965E-15 Laplacian -0.1621932E+01 (-1/4)Del**2(Rho)) 0.4054831E+00 Diamond 0.5695194E+01 Metallicity -0.6420558E+01 Ellipticity 0.2930253E-02 Gb(Abramov) 0.1635825E+00 Vb(Abramov) -0.7326482E+00 Hb(Abramov) -0.5690656E+00 Ex_ueg -0.1628717E+00 Ec_ueg -0.2027797E-01 Delta_ex 0.1619160E+00 Delta_ec 0.5651283E-01 Delta_et -0.1344874E+01 Pxc 0.8031953E+01 Qxc 0.2865120E+01 3,-1 100 3 +1 -0.559210 0.563018 -1.668616 Rho 0.8464415E-02 |GRAD(Rho)| 0.1348690E-14 GRAD(Rho)x 0.1075526E-14 GRAD(Rho)y -0.8791197E-16 GRAD(Rho)z 0.8089981E-15 Laplacian 0.3319037E-01 (-1/4)Del**2(Rho)) -0.8297592E-02 Diamond 0.8878951E-03 Metallicity 0.7298988E+00 Ellipticity -0.1457162E+01 Gb(Abramov) 0.6541129E-02 Vb(Abramov) -0.4784665E-02 Hb(Abramov) 0.1756464E-02 Ex_ueg -0.1274034E-02 Ec_ueg -0.2989178E-03 Delta_ex -0.1518792E-02 Delta_ec 0.4824133E-03 Delta_et -0.3271273E-02 Pxc 0.4262155E+01 Qxc -0.3148320E+01 3,+1 101 3 +3 0.994542 -1.108621 -1.266324 Rho 0.4141803E-02 |GRAD(Rho)| 0.2320375E-15 GRAD(Rho)x 0.1941784E-15 GRAD(Rho)y -0.1237184E-15 GRAD(Rho)z 0.2880808E-16 Laplacian 0.1509537E-01 (-1/4)Del**2(Rho)) -0.3773843E-02 Diamond 0.1133849E-03 Metallicity 0.4876240E+00 Ellipticity -0.7112759E+00 Gb(Abramov) 0.2822598E-02 Vb(Abramov) -0.1871353E-02 Hb(Abramov) 0.9512450E-03 Ex_ueg -0.4912520E-03 Ec_ueg -0.1101701E-03 Delta_ex -0.5332088E-03 Delta_ec 0.1344725E-03 Delta_et -0.8301501E-03 Pxc 0.4459031E+01 Qxc -0.3965189E+01 3,+3 102 3 +3 0.021262 -0.047906 2.329873 Rho 0.4628151E-02 |GRAD(Rho)| 0.8924620E-14 GRAD(Rho)x -0.2742564E-14 GRAD(Rho)y -0.7111318E-14 GRAD(Rho)z -0.4642882E-14 Laplacian 0.1894757E-01 (-1/4)Del**2(Rho)) -0.4736892E-02 Diamond 0.1630144E-03 Metallicity 0.4674539E+00 Ellipticity -0.4010096E+00 Gb(Abramov) 0.3526975E-02 Vb(Abramov) -0.2317057E-02 Hb(Abramov) 0.1209918E-02 Ex_ueg -0.5696329E-03 Ec_ueg -0.1309459E-03 Delta_ex -0.6860353E-03 Delta_ec 0.1642907E-03 Delta_et -0.1047912E-02 Pxc 0.4350140E+01 Qxc -0.4175740E+01 3,+3 103 3 +1 0.160147 -2.976113 0.234339 Rho 0.5519501E-02 |GRAD(Rho)| 0.1298503E-15 GRAD(Rho)x -0.1147203E-16 GRAD(Rho)y -0.1720194E-16 GRAD(Rho)z -0.1281935E-15 Laplacian 0.2188528E-01 (-1/4)Del**2(Rho)) -0.5471320E-02 Diamond 0.4669012E-03 Metallicity 0.5427845E+00 Ellipticity -0.1793442E+01 Gb(Abramov) 0.4142505E-02 Vb(Abramov) -0.2813689E-02 Hb(Abramov) 0.1328815E-02 Ex_ueg -0.7204185E-03 Ec_ueg -0.1693371E-03 Delta_ex -0.1014793E-02 Delta_ec 0.5205556E-03 Delta_et -0.2979481E-02 Pxc 0.4254345E+01 Qxc -0.1949443E+01 3,+1 104 3 +1 -1.152356 1.345572 2.226351 Rho 0.2795113E-01 |GRAD(Rho)| 0.4885684E-16 GRAD(Rho)x 0.1190668E-16 GRAD(Rho)y 0.1245171E-16 GRAD(Rho)z -0.4571845E-16 Laplacian 0.1113338E+00 (-1/4)Del**2(Rho)) -0.2783345E-01 Diamond 0.1727651E-01 Metallicity 0.1593377E+01 Ellipticity -0.4559793E+01 Gb(Abramov) 0.2594716E-01 Vb(Abramov) -0.2406087E-01 Hb(Abramov) 0.1886289E-02 Ex_ueg -0.6264949E-02 Ec_ueg -0.1238417E-02 Delta_ex -0.7162342E-02 Delta_ec 0.1938795E-02 Delta_et -0.1757582E-01 Pxc 0.5058838E+01 Qxc -0.3694223E+01 3,+1 105 3 +1 -0.573125 1.618351 -0.539858 Rho 0.8915939E-02 |GRAD(Rho)| 0.1687685E-16 GRAD(Rho)x -0.5035373E-17 GRAD(Rho)y 0.1210824E-16 GRAD(Rho)z -0.1062372E-16 Laplacian 0.3370159E-01 (-1/4)Del**2(Rho)) -0.8425398E-02 Diamond 0.9514068E-03 Metallicity 0.7838649E+00 Ellipticity -0.1503886E+01 Gb(Abramov) 0.6717661E-02 Vb(Abramov) -0.5009924E-02 Hb(Abramov) 0.1707737E-02 Ex_ueg -0.1365446E-02 Ec_ueg -0.3191382E-03 Delta_ex -0.1555505E-02 Delta_ec 0.4773351E-03 Delta_et -0.3290446E-02 Pxc 0.4278542E+01 Qxc -0.3258727E+01 3,+1 106 3 -1 -0.861141 2.013469 3.017924 Rho 0.1104427E+00 |GRAD(Rho)| 0.2421490E-15 GRAD(Rho)x -0.1134347E-15 GRAD(Rho)y -0.1715005E-15 GRAD(Rho)z 0.1278918E-15 Laplacian 0.4320815E+00 (-1/4)Del**2(Rho)) -0.1080204E+00 Diamond 0.6058842E+00 Metallicity 0.4054547E+01 Ellipticity 0.2247286E-01 Gb(Abramov) 0.1450092E+00 Vb(Abramov) -0.1819980E+00 Hb(Abramov) -0.3698882E-01 Ex_ueg -0.3913520E-01 Ec_ueg -0.5961861E-02 Delta_ex -0.4310164E-01 Delta_ec 0.1178760E-01 Delta_et -0.1492543E+00 Pxc 0.6564259E+01 Qxc -0.3656524E+01 3,-1 107 3 +1 -0.609604 -1.629446 0.552216 Rho 0.9005114E-02 |GRAD(Rho)| 0.9293170E-17 GRAD(Rho)x -0.4565458E-17 GRAD(Rho)y -0.8080165E-17 GRAD(Rho)z -0.4801453E-18 Laplacian 0.3460620E-01 (-1/4)Del**2(Rho)) -0.8651550E-02 Diamond 0.9990012E-03 Metallicity 0.7761421E+00 Ellipticity -0.1499777E+01 Gb(Abramov) 0.6886839E-02 Vb(Abramov) -0.5122127E-02 Hb(Abramov) 0.1764711E-02 Ex_ueg -0.1383685E-02 Ec_ueg -0.3231422E-03 Delta_ex -0.1604988E-02 Delta_ec 0.4967371E-03 Delta_et -0.3427714E-02 Pxc 0.4281970E+01 Qxc -0.3231061E+01 3,+1 108 3 +1 -2.289819 -1.084091 -1.329997 Rho 0.3066326E-01 |GRAD(Rho)| 0.3574615E-15 GRAD(Rho)x -0.1799571E-15 GRAD(Rho)y 0.1557089E-15 GRAD(Rho)z -0.2667375E-15 Laplacian 0.1253192E+00 (-1/4)Del**2(Rho)) -0.3132980E-01 Diamond 0.2153893E-01 Metallicity 0.1651807E+01 Ellipticity -0.4035796E+01 Gb(Abramov) 0.2951167E-01 Vb(Abramov) -0.2769353E-01 Hb(Abramov) 0.1818135E-02 Ex_ueg -0.7088312E-02 Ec_ueg -0.1377869E-02 Delta_ex -0.8219397E-02 Delta_ec 0.2100568E-02 Delta_et -0.1947631E-01 Pxc 0.5144400E+01 Qxc -0.3912940E+01 3,+1 109 3 +1 -0.302140 -1.304369 -2.527367 Rho 0.3643398E-02 |GRAD(Rho)| 0.6758136E-18 GRAD(Rho)x 0.3011562E-18 GRAD(Rho)y -0.2642484E-18 GRAD(Rho)z -0.5442442E-18 Laplacian 0.1414602E-01 (-1/4)Del**2(Rho)) -0.3536505E-02 Diamond 0.1417144E-03 Metallicity 0.4202327E+00 Ellipticity -0.1289472E+01 Gb(Abramov) 0.2605363E-02 Vb(Abramov) -0.1674220E-02 Hb(Abramov) 0.9311426E-03 Ex_ueg -0.4140574E-03 Ec_ueg -0.8900811E-04 Delta_ex -0.5579356E-03 Delta_ec 0.2585084E-03 Delta_et -0.1353537E-02 Pxc 0.4651906E+01 Qxc -0.2158288E+01 3,+1 110 3 -1 -0.575798 -1.811590 2.801359 Rho 0.1187437E+00 |GRAD(Rho)| 0.1361501E-13 GRAD(Rho)x -0.1294029E-14 GRAD(Rho)y 0.1203136E-13 GRAD(Rho)z -0.6240214E-14 Laplacian 0.4961175E+00 (-1/4)Del**2(Rho)) -0.1240294E+00 Diamond 0.7611370E+00 Metallicity 0.3984555E+01 Ellipticity 0.1046602E-01 Gb(Abramov) 0.1650532E+00 Vb(Abramov) -0.2060771E+00 Hb(Abramov) -0.4102385E-01 Ex_ueg -0.4310550E-01 Ec_ueg -0.6473851E-02 Delta_ex -0.5037504E-01 Delta_ec 0.1336087E-01 Delta_et -0.1714871E+00 Pxc 0.6658402E+01 Qxc -0.3770342E+01 3,-1 111 3 +1 0.134401 2.947138 -0.161679 Rho 0.4999800E-02 |GRAD(Rho)| 0.1322343E-12 GRAD(Rho)x -0.8700319E-13 GRAD(Rho)y -0.3651277E-13 GRAD(Rho)z 0.9264540E-13 Laplacian 0.1989776E-01 (-1/4)Del**2(Rho)) -0.4974439E-02 Diamond 0.4349425E-03 Metallicity 0.5062871E+00 Ellipticity -0.2516997E+01 Gb(Abramov) 0.3736042E-02 Vb(Abramov) -0.2497644E-02 Hb(Abramov) 0.1238397E-02 Ex_ueg -0.6314252E-03 Ec_ueg -0.1469042E-03 Delta_ex -0.9623129E-03 Delta_ec 0.5784020E-03 Delta_et -0.3160643E-02 Pxc 0.4298211E+01 Qxc -0.1663744E+01 3,+1 112 3 -1 -0.854194 3.020907 2.031033 Rho 0.1337537E+00 |GRAD(Rho)| 0.1846268E-13 GRAD(Rho)x 0.7985827E-14 GRAD(Rho)y 0.1219231E-13 GRAD(Rho)z -0.1133335E-13 Laplacian 0.5214115E+00 (-1/4)Del**2(Rho)) -0.1303529E+00 Diamond 0.9177266E+00 Metallicity 0.4623196E+01 Ellipticity 0.1723447E-01 Gb(Abramov) 0.1873431E+00 Vb(Abramov) -0.2443333E+00 Hb(Abramov) -0.5699020E-01 Ex_ueg -0.5051956E-01 Ec_ueg -0.7411777E-02 Delta_ex -0.5441597E-01 Delta_ec 0.1354355E-01 Delta_et -0.1771245E+00 Pxc 0.6816120E+01 Qxc -0.4017851E+01 3,-1 113 3 -1 -0.561117 2.730386 -1.842759 Rho 0.1419097E+00 |GRAD(Rho)| 0.1640753E-15 GRAD(Rho)x 0.1546072E-15 GRAD(Rho)y -0.4280566E-16 GRAD(Rho)z 0.3442342E-16 Laplacian 0.5890031E+00 (-1/4)Del**2(Rho)) -0.1472508E+00 Diamond 0.1110201E+01 Metallicity 0.4516988E+01 Ellipticity 0.1111690E-01 Gb(Abramov) 0.2090222E+00 Vb(Abramov) -0.2707936E+00 Hb(Abramov) -0.6177141E-01 Ex_ueg -0.5466816E-01 Ec_ueg -0.7927645E-02 Delta_ex -0.6233044E-01 Delta_ec 0.1502528E-01 Delta_et -0.1981624E+00 Pxc 0.6895888E+01 Qxc -0.4148373E+01 3,-1 114 3 +1 1.704498 0.543819 0.585774 Rho 0.7148447E-02 |GRAD(Rho)| 0.8468978E-17 GRAD(Rho)x -0.7346512E-17 GRAD(Rho)y 0.1614238E-17 GRAD(Rho)z -0.3891862E-17 Laplacian 0.2622746E-01 (-1/4)Del**2(Rho)) -0.6556865E-02 Diamond 0.5372266E-03 Metallicity 0.6969630E+00 Ellipticity -0.1421838E+01 Gb(Abramov) 0.5132892E-02 Vb(Abramov) -0.3708919E-02 Hb(Abramov) 0.1423973E-02 Ex_ueg -0.1017030E-02 Ec_ueg -0.2405094E-03 Delta_ex -0.1138941E-02 Delta_ec 0.3603013E-03 Delta_et -0.2355130E-02 Pxc 0.4228651E+01 Qxc -0.3161078E+01 3,+1 115 3 +1 0.348781 -1.730893 -0.676241 Rho 0.7124007E-02 |GRAD(Rho)| 0.4103581E-15 GRAD(Rho)x 0.5880869E-16 GRAD(Rho)y 0.2380891E-15 GRAD(Rho)z 0.3290119E-15 Laplacian 0.2617131E-01 (-1/4)Del**2(Rho)) -0.6542827E-02 Diamond 0.6755952E-03 Metallicity 0.6944830E+00 Ellipticity -0.1809432E+01 Gb(Abramov) 0.5119198E-02 Vb(Abramov) -0.3695570E-02 Hb(Abramov) 0.1423629E-02 Ex_ueg -0.1012397E-02 Ec_ueg -0.2394323E-03 Delta_ex -0.1217778E-02 Delta_ec 0.5063755E-03 Delta_et -0.3178587E-02 Pxc 0.4228323E+01 Qxc -0.2404890E+01 3,+1 116 3 -1 -0.569066 -0.450689 -0.463005 Rho 0.1873353E+00 |GRAD(Rho)| 0.1488631E-15 GRAD(Rho)x -0.9020562E-16 GRAD(Rho)y -0.1006140E-15 GRAD(Rho)z -0.6245005E-16 Laplacian 0.5087268E+00 (-1/4)Del**2(Rho)) -0.1271817E+00 Diamond 0.1361536E+01 Metallicity 0.8307960E+01 Ellipticity 0.2558592E-01 Gb(Abramov) 0.2608912E+00 Vb(Abramov) -0.3946007E+00 Hb(Abramov) -0.1337095E+00 Ex_ueg -0.7916704E-01 Ec_ueg -0.1087499E-01 Delta_ex -0.5785879E-01 Delta_ec 0.1239085E-01 Delta_et -0.1699891E+00 Pxc 0.7279735E+01 Qxc -0.4669478E+01 3,-1 117 3 +1 0.158631 -0.191402 2.989694 Rho 0.5450706E-02 |GRAD(Rho)| 0.3695901E-17 GRAD(Rho)x 0.3222763E-17 GRAD(Rho)y 0.1779180E-17 GRAD(Rho)z 0.3286424E-18 Laplacian 0.2207909E-01 (-1/4)Del**2(Rho)) -0.5519773E-02 Diamond 0.4983453E-03 Metallicity 0.5268899E+00 Ellipticity -0.1974312E+01 Gb(Abramov) 0.4164567E-02 Vb(Abramov) -0.2809362E-02 Hb(Abramov) 0.1355205E-02 Ex_ueg -0.7084710E-03 Ec_ueg -0.1663598E-03 Delta_ex -0.1050175E-02 Delta_ec 0.5771883E-03 Delta_et -0.3264085E-02 Pxc 0.4258667E+01 Qxc -0.1819468E+01 3,+1 118 3 +1 0.454461 -0.832763 -1.769561 Rho 0.4845486E-02 |GRAD(Rho)| 0.3314416E-17 GRAD(Rho)x -0.2678660E-17 GRAD(Rho)y -0.1232280E-17 GRAD(Rho)z -0.1513809E-17 Laplacian 0.1859681E-01 (-1/4)Del**2(Rho)) -0.4649204E-02 Diamond 0.3304655E-03 Metallicity 0.5141267E+00 Ellipticity -0.1729017E+01 Gb(Abramov) 0.3497849E-02 Vb(Abramov) -0.2346495E-02 Hb(Abramov) 0.1151355E-02 Ex_ueg -0.6055754E-03 Ec_ueg -0.1402695E-03 Delta_ex -0.8364578E-03 Delta_ec 0.4381459E-03 Delta_et -0.2416982E-02 Pxc 0.4317227E+01 Qxc -0.1909085E+01 3,+1 119 3 -1 -0.515337 1.750397 1.752680 Rho 0.4899842E-01 |GRAD(Rho)| 0.4157162E-16 GRAD(Rho)x -0.2558908E-16 GRAD(Rho)y 0.9475334E-17 GRAD(Rho)z -0.3136267E-16 Laplacian 0.1962476E+00 (-1/4)Del**2(Rho)) -0.4906190E-01 Diamond 0.9630037E-01 Metallicity 0.2303805E+01 Ellipticity 0.2794192E-01 Gb(Abramov) 0.5154610E-01 Vb(Abramov) -0.5403031E-01 Hb(Abramov) -0.2484205E-02 Ex_ueg -0.1324223E-01 Ec_ueg -0.2359586E-02 Delta_ex -0.1605018E-01 Delta_ec 0.5810055E-02 Delta_et -0.6093229E-01 Pxc 0.5612101E+01 Qxc -0.2762484E+01 3,-1 120 3 -1 -0.492018 0.469249 0.489215 Rho 0.1747783E+00 |GRAD(Rho)| 0.9771294E-14 GRAD(Rho)x 0.3847617E-14 GRAD(Rho)y -0.8132384E-14 GRAD(Rho)z -0.3812922E-14 Laplacian 0.4543022E+00 (-1/4)Del**2(Rho)) -0.1135756E+00 Diamond 0.1128750E+01 Metallicity 0.8287323E+01 Ellipticity 0.7718753E-02 Gb(Abramov) 0.2325899E+00 Vb(Abramov) -0.3516043E+00 Hb(Abramov) -0.1190144E+00 Ex_ueg -0.7217196E-01 Ec_ueg -0.1004813E-01 Delta_ex -0.5085856E-01 Delta_ec 0.1141426E-01 Delta_et -0.1558241E+00 Pxc 0.7182628E+01 Qxc -0.4455703E+01 3,-1 121 3 +1 1.433383 -2.243376 0.987253 Rho 0.2347488E-01 |GRAD(Rho)| 0.4517780E-16 GRAD(Rho)x -0.9599510E-17 GRAD(Rho)y -0.3736872E-16 GRAD(Rho)z 0.2350451E-16 Laplacian 0.8928669E-01 (-1/4)Del**2(Rho)) -0.2232167E-01 Diamond 0.8527332E-02 Metallicity 0.1485361E+01 Ellipticity -0.1950774E+01 Gb(Abramov) 0.2040707E-01 Vb(Abramov) -0.1849247E-01 Hb(Abramov) 0.1914601E-02 Ex_ueg -0.4964279E-02 Ec_ueg -0.1012237E-02 Delta_ex -0.5203113E-02 Delta_ec 0.1055125E-02 Delta_et -0.9297238E-02 Pxc 0.4904264E+01 Qxc -0.4931275E+01 3,+1 122 3 +1 0.552156 1.706010 0.519539 Rho 0.7733459E-02 |GRAD(Rho)| 0.1883020E-15 GRAD(Rho)x -0.1562353E-15 GRAD(Rho)y -0.9892238E-16 GRAD(Rho)z 0.3553236E-16 Laplacian 0.2947114E-01 (-1/4)Del**2(Rho)) -0.7367785E-02 Diamond 0.6852742E-03 Metallicity 0.7071408E+00 Ellipticity -0.1433273E+01 Gb(Abramov) 0.5780200E-02 Vb(Abramov) -0.4192615E-02 Hb(Abramov) 0.1587585E-02 Ex_ueg -0.1129493E-02 Ec_ueg -0.2663770E-03 Delta_ex -0.1312264E-02 Delta_ec 0.4172979E-03 Delta_et -0.2772945E-02 Pxc 0.4240203E+01 Qxc -0.3144669E+01 3,+1 123 3 -1 -0.573054 1.758548 -2.801699 Rho 0.1073003E+00 |GRAD(Rho)| 0.6337776E-13 GRAD(Rho)x -0.4153142E-13 GRAD(Rho)y -0.3700255E-13 GRAD(Rho)z 0.3037586E-13 Laplacian 0.4458690E+00 (-1/4)Del**2(Rho)) -0.1114672E+00 Diamond 0.6054959E+00 Metallicity 0.3744618E+01 Ellipticity 0.1093090E-01 Gb(Abramov) 0.1438785E+00 Vb(Abramov) -0.1762898E+00 Hb(Abramov) -0.3241130E-01 Ex_ueg -0.3765763E-01 Ec_ueg -0.5769362E-02 Delta_ex -0.4420126E-01 Delta_ec 0.1228913E-01 Delta_et -0.1548266E+00 Pxc 0.6527175E+01 Qxc -0.3596779E+01 3,-1 124 3 -1 -0.579380 -2.767195 1.843544 Rho 0.1287649E+00 |GRAD(Rho)| 0.1897635E-12 GRAD(Rho)x 0.1274076E-12 GRAD(Rho)y 0.1491086E-13 GRAD(Rho)z 0.1398398E-12 Laplacian 0.5377864E+00 (-1/4)Del**2(Rho)) -0.1344466E+00 Diamond 0.9102304E+00 Metallicity 0.4207255E+01 Ellipticity 0.9074906E-02 Gb(Abramov) 0.1839063E+00 Vb(Abramov) -0.2333659E+00 Hb(Abramov) -0.4945967E-01 Ex_ueg -0.4802288E-01 Ec_ueg -0.7098357E-02 Delta_ex -0.5568429E-01 Delta_ec 0.1422641E-01 Delta_et -0.1851666E+00 Pxc 0.6765351E+01 Qxc -0.3914150E+01 3,-1 125 3 -1 -0.113857 -3.218269 3.245617 Rho 0.2310296E+00 |GRAD(Rho)| 0.6965934E-15 GRAD(Rho)x 0.1561522E-15 GRAD(Rho)y 0.4797053E-15 GRAD(Rho)z -0.4803558E-15 Laplacian 0.8530892E+00 (-1/4)Del**2(Rho)) -0.2132723E+00 Diamond 0.2877713E+01 Metallicity 0.7026375E+01 Ellipticity 0.7420135E-03 Gb(Abramov) 0.3919367E+00 Vb(Abramov) -0.5706012E+00 Hb(Abramov) -0.1786644E+00 Ex_ueg -0.1046988E+00 Ec_ueg -0.1382122E-01 Delta_ex -0.1020287E+00 Delta_ec 0.1901531E-01 Delta_et -0.2628253E+00 Pxc 0.7575225E+01 Qxc -0.5365605E+01 3,-1 126 3 -1 -0.073953 3.159140 -3.236146 Rho 0.2315800E+00 |GRAD(Rho)| 0.1763570E-13 GRAD(Rho)x 0.3851601E-14 GRAD(Rho)y -0.1195826E-13 GRAD(Rho)z 0.1237671E-13 Laplacian 0.8558526E+00 (-1/4)Del**2(Rho)) -0.2139631E+00 Diamond 0.2894925E+01 Metallicity 0.7031523E+01 Ellipticity 0.4938760E-02 Gb(Abramov) 0.3933899E+00 Vb(Abramov) -0.5728166E+00 Hb(Abramov) -0.1794268E+00 Ex_ueg -0.1050316E+00 Ec_ueg -0.1385901E-01 Delta_ex -0.1024204E+00 Delta_ec 0.1905979E-01 Delta_et -0.2634506E+00 Pxc 0.7578578E+01 Qxc -0.5373635E+01 3,-1 127 3 -1 0.081627 3.215499 3.233654 Rho 0.2295013E+00 |GRAD(Rho)| 0.3882130E-15 GRAD(Rho)x -0.2389311E-16 GRAD(Rho)y -0.3194602E-15 GRAD(Rho)z -0.2192799E-15 Laplacian 0.8482163E+00 (-1/4)Del**2(Rho)) -0.2120541E+00 Diamond 0.2837620E+01 Metallicity 0.6989000E+01 Ellipticity 0.3489248E-02 Gb(Abramov) 0.3883770E+00 Vb(Abramov) -0.5647000E+00 Hb(Abramov) -0.1763230E+00 Ex_ueg -0.1037764E+00 Ec_ueg -0.1371639E-01 Delta_ex -0.1012659E+00 Delta_ec 0.1893423E-01 Delta_et -0.2615903E+00 Pxc 0.7565869E+01 Qxc -0.5348296E+01 3,-1 128 3 +1 0.260520 -1.403216 -1.774100 Rho 0.5117244E-02 |GRAD(Rho)| 0.7589913E-16 GRAD(Rho)x -0.5891281E-16 GRAD(Rho)y 0.1470888E-16 GRAD(Rho)z -0.4553688E-16 Laplacian 0.2004003E-01 (-1/4)Del**2(Rho)) -0.5010008E-02 Diamond 0.4624922E-03 Metallicity 0.5225265E+00 Ellipticity -0.3257410E+01 Gb(Abramov) 0.3776315E-02 Vb(Abramov) -0.2542623E-02 Hb(Abramov) 0.1233692E-02 Ex_ueg -0.6512782E-03 Ec_ueg -0.1519618E-03 Delta_ex -0.9831667E-03 Delta_ec 0.5994850E-03 Delta_et -0.3291169E-02 Pxc 0.4285803E+01 Qxc -0.1640019E+01 3,+1 129 3 -1 0.230823 -1.239942 -1.875027 Rho 0.5138623E-02 |GRAD(Rho)| 0.1076658E-14 GRAD(Rho)x -0.7158403E-16 GRAD(Rho)y 0.6018755E-15 GRAD(Rho)z 0.8898398E-15 Laplacian 0.2013790E-01 (-1/4)Del**2(Rho)) -0.5034475E-02 Diamond 0.5441437E-03 Metallicity 0.5236129E+00 Ellipticity 0.1589954E+01 Gb(Abramov) 0.3795669E-02 Vb(Abramov) -0.2556864E-02 Hb(Abramov) 0.1238806E-02 Ex_ueg -0.6549087E-03 Ec_ueg -0.1528832E-03 Delta_ex -0.1057522E-02 Delta_ec 0.7251450E-03 Delta_et -0.3933929E-02 Pxc 0.4283719E+01 Qxc -0.1458360E+01 3,-1 130 3 +3 1.924763 -1.996527 1.985757 Rho 0.1149003E-01 |GRAD(Rho)| 0.1672424E-16 GRAD(Rho)x -0.3578280E-17 GRAD(Rho)y -0.1240756E-16 GRAD(Rho)z -0.1062772E-16 Laplacian 0.4860723E-01 (-1/4)Del**2(Rho)) -0.1215181E-01 Diamond 0.1168046E-02 Metallicity 0.8294322E+00 Ellipticity -0.9057026E+00 Gb(Abramov) 0.9781054E-02 Vb(Abramov) -0.7410302E-02 Hb(Abramov) 0.2370752E-02 Ex_ueg -0.1914902E-02 Ec_ueg -0.4360784E-03 Delta_ex -0.2157831E-02 Delta_ec 0.2662299E-03 Delta_et -0.2261722E-02 Pxc 0.4391187E+01 Qxc -0.8105141E+01 3,+3 131 3 +1 1.764855 1.809650 1.789371 Rho 0.1118525E-01 |GRAD(Rho)| 0.3452689E-13 GRAD(Rho)x 0.2967308E-13 GRAD(Rho)y -0.1241540E-13 GRAD(Rho)z -0.1254878E-13 Laplacian 0.5236724E-01 (-1/4)Del**2(Rho)) -0.1309181E-01 Diamond 0.1847012E-02 Metallicity 0.7361448E+00 Ellipticity -0.1272495E+01 Gb(Abramov) 0.1033412E-01 Vb(Abramov) -0.7576426E-02 Hb(Abramov) 0.2757692E-02 Ex_ueg -0.1847479E-02 Ec_ueg -0.4220894E-03 Delta_ex -0.2508323E-02 Delta_ec 0.6465391E-03 Delta_et -0.4791457E-02 Pxc 0.4376986E+01 Qxc -0.3879615E+01 3,+1 132 3 -1 1.805698 0.548097 2.802583 Rho 0.9329927E-01 |GRAD(Rho)| 0.9752462E-14 GRAD(Rho)x 0.7259113E-14 GRAD(Rho)y -0.6414364E-14 GRAD(Rho)z -0.1127713E-14 Laplacian 0.4056419E+00 (-1/4)Del**2(Rho)) -0.1014105E+00 Diamond 0.4815071E+00 Metallicity 0.3260374E+01 Ellipticity 0.2844622E-01 Gb(Abramov) 0.1227130E+00 Vb(Abramov) -0.1440155E+00 Hb(Abramov) -0.2130253E-01 Ex_ueg -0.3125283E-01 Ec_ueg -0.4920966E-02 Delta_ex -0.3922923E-01 Delta_ec 0.1207071E-01 Delta_et -0.1484850E+00 Pxc 0.6350955E+01 Qxc -0.3249952E+01 3,-1 133 3 -1 0.431712 -0.498774 0.464878 Rho 0.1818503E+00 |GRAD(Rho)| 0.4339574E-13 GRAD(Rho)x -0.2469899E-13 GRAD(Rho)y 0.2584044E-13 GRAD(Rho)z -0.2460532E-13 Laplacian 0.4793834E+00 (-1/4)Del**2(Rho)) -0.1198459E+00 Diamond 0.1246960E+01 Metallicity 0.8390480E+01 Ellipticity 0.4452114E-02 Gb(Abramov) 0.2474913E+00 Vb(Abramov) -0.3751367E+00 Hb(Abramov) -0.1276454E+00 Ex_ueg -0.7609166E-01 Ec_ueg -0.1051270E-01 Delta_ex -0.5418409E-01 Delta_ec 0.1189094E-01 Delta_et -0.1629884E+00 Pxc 0.7238070E+01 Qxc -0.4556756E+01 3,-1 134 3 +1 1.747300 -0.600965 -0.571881 Rho 0.6754486E-02 |GRAD(Rho)| 0.1499362E-16 GRAD(Rho)x -0.1336771E-16 GRAD(Rho)y 0.6106829E-17 GRAD(Rho)z -0.2969780E-17 Laplacian 0.2454705E-01 (-1/4)Del**2(Rho)) -0.6136763E-02 Diamond 0.4580247E-03 Metallicity 0.6775391E+00 Ellipticity -0.1392402E+01 Gb(Abramov) 0.4784158E-02 Vb(Abramov) -0.3431553E-02 Hb(Abramov) 0.1352605E-02 Ex_ueg -0.9429922E-03 Ec_ueg -0.2231796E-03 Delta_ex -0.1046356E-02 Delta_ec 0.3288975E-03 Delta_et -0.2125872E-02 Pxc 0.4225261E+01 Qxc -0.3181403E+01 3,+1 135 3 +1 3.065755 -0.020535 0.036601 Rho 0.4174211E-02 |GRAD(Rho)| 0.9455716E-15 GRAD(Rho)x -0.1568306E-15 GRAD(Rho)y -0.3010637E-15 GRAD(Rho)z 0.8825363E-15 Laplacian 0.1556063E-01 (-1/4)Del**2(Rho)) -0.3890157E-02 Diamond 0.2926098E-03 Metallicity 0.4792293E+00 Ellipticity -0.4809404E+01 Gb(Abramov) 0.2904151E-02 Vb(Abramov) -0.1918145E-02 Hb(Abramov) 0.9860061E-03 Ex_ueg -0.4963838E-03 Ec_ueg -0.1115507E-03 Delta_ex -0.7568475E-03 Delta_ec 0.5066137E-03 Delta_et -0.2599067E-02 Pxc 0.4449850E+01 Qxc -0.1493934E+01 3,+1 136 3 -1 0.447799 0.445419 -0.475880 Rho 0.1821918E+00 |GRAD(Rho)| 0.2178028E-15 GRAD(Rho)x -0.1110223E-15 GRAD(Rho)y -0.1873501E-15 GRAD(Rho)z 0.3469447E-17 Laplacian 0.4808828E+00 (-1/4)Del**2(Rho)) -0.1202207E+00 Diamond 0.1252660E+01 Metallicity 0.8390512E+01 Ellipticity 0.7408804E-02 Gb(Abramov) 0.2482660E+00 Vb(Abramov) -0.3763113E+00 Hb(Abramov) -0.1280453E+00 Ex_ueg -0.7628223E-01 Ec_ueg -0.1053520E-01 Delta_ex -0.5437128E-01 Delta_ec 0.1190827E-01 Delta_et -0.1632185E+00 Pxc 0.7240697E+01 Qxc -0.4565844E+01 3,-1 137 3 +3 1.149952 1.121788 1.094016 Rho 0.4588879E-02 |GRAD(Rho)| 0.6594643E-16 GRAD(Rho)x -0.4548949E-16 GRAD(Rho)y -0.4039428E-16 GRAD(Rho)z 0.2545468E-16 Laplacian 0.1704740E-01 (-1/4)Del**2(Rho)) -0.4261850E-02 Diamond 0.1062269E-03 Metallicity 0.5122311E+00 Ellipticity -0.1858252E+00 Gb(Abramov) 0.3205076E-02 Vb(Abramov) -0.2148301E-02 Hb(Abramov) 0.1056775E-02 Ex_ueg -0.5631972E-03 Ec_ueg -0.1292637E-03 Delta_ex -0.5755366E-03 Delta_ec 0.7578313E-04 Delta_et -0.5890734E-03 Pxc 0.4356963E+01 Qxc -0.7594522E+01 3,+3 138 3 -1 0.039003 -3.231803 -1.240549 Rho 0.6148728E-01 |GRAD(Rho)| 0.1608344E-15 GRAD(Rho)x 0.1420848E-15 GRAD(Rho)y -0.7470187E-16 GRAD(Rho)z 0.9962160E-17 Laplacian 0.1230397E+00 (-1/4)Del**2(Rho)) -0.3075992E-01 Diamond 0.1516109E+00 Metallicity 0.5364676E+01 Ellipticity 0.3453313E-02 Gb(Abramov) 0.4800945E-01 Vb(Abramov) -0.6525897E-01 Hb(Abramov) -0.1724953E-01 Ex_ueg -0.1792388E-01 Ec_ueg -0.3059051E-02 Delta_ex -0.1293008E-01 Delta_ec 0.7689736E-02 Delta_et -0.8745119E-01 Pxc 0.5859297E+01 Qxc -0.1681473E+01 3,-1 139 3 -1 0.547287 1.698310 -1.736400 Rho 0.4742921E-01 |GRAD(Rho)| 0.6767602E-16 GRAD(Rho)x -0.4197895E-16 GRAD(Rho)y 0.9574860E-17 GRAD(Rho)z -0.5221238E-16 Laplacian 0.1889215E+00 (-1/4)Del**2(Rho)) -0.4723036E-01 Diamond 0.8827574E-01 Metallicity 0.2266775E+01 Ellipticity 0.2576570E-01 Gb(Abramov) 0.4933034E-01 Vb(Abramov) -0.5143032E-01 Hb(Abramov) -0.2099980E-02 Ex_ueg -0.1267982E-01 Ec_ueg -0.2273271E-02 Delta_ex -0.1530581E-01 Delta_ec 0.5560130E-02 Delta_et -0.5780751E-01 Pxc 0.5577785E+01 Qxc -0.2752779E+01 3,-1 140 3 -1 0.547834 1.823881 2.801149 Rho 0.1696514E+00 |GRAD(Rho)| 0.4056180E-13 GRAD(Rho)x -0.2037113E-13 GRAD(Rho)y 0.3459451E-13 GRAD(Rho)z 0.5787634E-14 Laplacian 0.6973556E+00 (-1/4)Del**2(Rho)) -0.1743389E+00 Diamond 0.1619708E+01 Metallicity 0.5137534E+01 Ellipticity 0.1435009E-01 Gb(Abramov) 0.2655046E+00 Vb(Abramov) -0.3566703E+00 Hb(Abramov) -0.9116571E-01 Ex_ueg -0.6936309E-01 Ec_ueg -0.9713138E-02 Delta_ex -0.7705158E-01 Delta_ec 0.1686895E-01 Delta_et -0.2273550E+00 Pxc 0.7141161E+01 Qxc -0.4567657E+01 3,-1 141 3 -1 0.820915 -3.056360 2.057647 Rho 0.1752618E+00 |GRAD(Rho)| 0.1901410E-15 GRAD(Rho)x -0.1570738E-15 GRAD(Rho)y -0.6068822E-16 GRAD(Rho)z 0.8830827E-16 Laplacian 0.6814944E+00 (-1/4)Del**2(Rho)) -0.1703736E+00 Diamond 0.1655382E+01 Metallicity 0.5550041E+01 Ellipticity 0.5274067E-01 Gb(Abramov) 0.2711791E+00 Vb(Abramov) -0.3719847E+00 Hb(Abramov) -0.1008055E+00 Ex_ueg -0.7243825E-01 Ec_ueg -0.1007979E-01 Delta_ex -0.7599314E-01 Delta_ec 0.1648202E-01 Delta_et -0.2233264E+00 Pxc 0.7186481E+01 Qxc -0.4610668E+01 3,-1 142 3 -1 1.154211 -2.332550 -2.024412 Rho 0.4706080E-01 |GRAD(Rho)| 0.4308967E-16 GRAD(Rho)x 0.1233976E-16 GRAD(Rho)y 0.1699718E-16 GRAD(Rho)z 0.3762374E-16 Laplacian 0.1213670E+00 (-1/4)Del**2(Rho)) -0.3034175E-01 Diamond 0.8536308E-01 Metallicity 0.3482930E+01 Ellipticity 0.9366629E-02 Gb(Abramov) 0.3784086E-01 Vb(Abramov) -0.4533998E-01 Hb(Abramov) -0.7499116E-02 Ex_ueg -0.1254866E-01 Ec_ueg -0.2253062E-02 Delta_ex -0.1118029E-01 Delta_ec 0.6012424E-02 Delta_et -0.6296123E-01 Pxc 0.5569605E+01 Qxc -0.1859531E+01 3,-1 143 3 +1 1.967342 -2.042914 2.037442 Rho 0.1149627E-01 |GRAD(Rho)| 0.1571205E-15 GRAD(Rho)x -0.8867650E-16 GRAD(Rho)y 0.9307921E-16 GRAD(Rho)z -0.9033049E-16 Laplacian 0.4881678E-01 (-1/4)Del**2(Rho)) -0.1220420E-01 Diamond 0.1333715E-02 Metallicity 0.8266193E+00 Ellipticity -0.1076563E+01 Gb(Abramov) 0.9817500E-02 Vb(Abramov) -0.7430806E-02 Hb(Abramov) 0.2386695E-02 Ex_ueg -0.1916289E-02 Ec_ueg -0.4363652E-03 Delta_ex -0.2216352E-02 Delta_ec 0.3546477E-03 Delta_et -0.2850639E-02 Pxc 0.4391479E+01 Qxc -0.6249446E+01 3,+1 144 3 -1 0.810301 -2.015460 3.071645 Rho 0.1665257E+00 |GRAD(Rho)| 0.2723740E-13 GRAD(Rho)x -0.2662825E-13 GRAD(Rho)y 0.5163350E-14 GRAD(Rho)z -0.2480397E-14 Laplacian 0.6446944E+00 (-1/4)Del**2(Rho)) -0.1611736E+00 Diamond 0.1478554E+01 Metallicity 0.5387590E+01 Ellipticity 0.4069371E-01 Gb(Abramov) 0.2521719E+00 Vb(Abramov) -0.3431703E+00 Hb(Abramov) -0.9099834E-01 Ex_ueg -0.6766435E-01 Ec_ueg -0.9509655E-02 Delta_ex -0.7102552E-01 Delta_ec 0.1589064E-01 Delta_et -0.2143164E+00 Pxc 0.7115332E+01 Qxc -0.4469645E+01 3,-1 145 3 -1 0.840933 1.962057 -3.029646 Rho 0.1630451E+00 |GRAD(Rho)| 0.4528700E-15 GRAD(Rho)x 0.3665145E-15 GRAD(Rho)y -0.7817098E-16 GRAD(Rho)z -0.2542590E-15 Laplacian 0.6406465E+00 (-1/4)Del**2(Rho)) -0.1601616E+00 Diamond 0.1424459E+01 Metallicity 0.5234087E+01 Ellipticity 0.4538698E-01 Gb(Abramov) 0.2464911E+00 Vb(Abramov) -0.3328205E+00 Hb(Abramov) -0.8632944E-01 Ex_ueg -0.6578528E-01 Ec_ueg -0.9283751E-02 Delta_ex -0.7013797E-01 Delta_ec 0.1574903E-01 Delta_et -0.2115296E+00 Pxc 0.7086066E+01 Qxc -0.4453479E+01 3,-1 146 3 +1 2.006020 1.977069 -2.013161 Rho 0.1126168E-01 |GRAD(Rho)| 0.1493603E-16 GRAD(Rho)x 0.1787885E-17 GRAD(Rho)y -0.1447417E-16 GRAD(Rho)z -0.3222891E-17 Laplacian 0.4797239E-01 (-1/4)Del**2(Rho)) -0.1199310E-01 Diamond 0.1232951E-02 Metallicity 0.8127565E+00 Ellipticity -0.1045390E+01 Gb(Abramov) 0.9619976E-02 Vb(Abramov) -0.7246854E-02 Hb(Abramov) 0.2373121E-02 Ex_ueg -0.1864329E-02 Ec_ueg -0.4255937E-03 Delta_ex -0.2152586E-02 Delta_ec 0.3255949E-03 Delta_et -0.2639426E-02 Pxc 0.4380537E+01 Qxc -0.6611241E+01 3,+1 147 3 +1 1.440125 2.177151 -1.029889 Rho 0.2402040E-01 |GRAD(Rho)| 0.1778988E-16 GRAD(Rho)x -0.1600293E-16 GRAD(Rho)y 0.4829702E-17 GRAD(Rho)z -0.6087682E-17 Laplacian 0.9017609E-01 (-1/4)Del**2(Rho)) -0.2254402E-01 Diamond 0.9317693E-02 Metallicity 0.1528113E+01 Ellipticity -0.2176800E+01 Gb(Abramov) 0.2077098E-01 Vb(Abramov) -0.1899794E-01 Hb(Abramov) 0.1773039E-02 Ex_ueg -0.5118688E-02 Ec_ueg -0.1039520E-02 Delta_ex -0.5337638E-02 Delta_ec 0.1152884E-02 Delta_et -0.1017533E-01 Pxc 0.4924087E+01 Qxc -0.4629815E+01 3,+1 148 3 -1 0.839462 3.014127 -2.027948 Rho 0.1688206E+00 |GRAD(Rho)| 0.2935287E-15 GRAD(Rho)x 0.2368440E-15 GRAD(Rho)y -0.1552171E-15 GRAD(Rho)z 0.7727651E-16 Laplacian 0.6496851E+00 (-1/4)Del**2(Rho)) -0.1624213E+00 Diamond 0.1518599E+01 Metallicity 0.5469563E+01 Ellipticity 0.4005904E-01 Gb(Abramov) 0.2563431E+00 Vb(Abramov) -0.3502648E+00 Hb(Abramov) -0.9392179E-01 Ex_ueg -0.6891053E-01 Ec_ueg -0.9658995E-02 Delta_ex -0.7185344E-01 Delta_ec 0.1601666E-01 Delta_et -0.2165283E+00 Pxc 0.7134337E+01 Qxc -0.4486170E+01 3,-1 149 3 -1 0.561140 2.842286 1.822308 Rho 0.1702522E+00 |GRAD(Rho)| 0.6215913E-15 GRAD(Rho)x -0.6076411E-15 GRAD(Rho)y -0.1050185E-15 GRAD(Rho)z 0.7822519E-16 Laplacian 0.6908835E+00 (-1/4)Del**2(Rho)) -0.1727209E+00 Diamond 0.1621160E+01 Metallicity 0.5216306E+01 Ellipticity 0.1371432E-01 Gb(Abramov) 0.2653081E+00 Vb(Abramov) -0.3578953E+00 Hb(Abramov) -0.9258721E-01 Ex_ueg -0.6969081E-01 Ec_ueg -0.9752317E-02 Delta_ex -0.7648538E-01 Delta_ec 0.1684208E-01 Delta_et -0.2274898E+00 Pxc 0.7146078E+01 Qxc -0.4541328E+01 3,-1 150 3 +1 1.396129 -1.059231 2.208290 Rho 0.2404038E-01 |GRAD(Rho)| 0.3216041E-16 GRAD(Rho)x 0.1649471E-17 GRAD(Rho)y -0.1107405E-16 GRAD(Rho)z 0.3014858E-16 Laplacian 0.9032446E-01 (-1/4)Del**2(Rho)) -0.2258112E-01 Diamond 0.9521705E-02 Metallicity 0.1527718E+01 Ellipticity -0.2268397E+01 Gb(Abramov) 0.2080367E-01 Vb(Abramov) -0.1902623E-01 Hb(Abramov) 0.1777442E-02 Ex_ueg -0.5124365E-02 Ec_ueg -0.1040521E-02 Delta_ex -0.5368011E-02 Delta_ec 0.1191131E-02 Delta_et -0.1050231E-01 Pxc 0.4924807E+01 Qxc -0.4506651E+01 3,+1 151 3 -1 1.194487 -1.814388 -2.612715 Rho 0.3035554E+00 |GRAD(Rho)| 0.1169464E-14 GRAD(Rho)x 0.4201929E-15 GRAD(Rho)y -0.9273715E-15 GRAD(Rho)z -0.5753844E-15 Laplacian -0.1467069E+01 (-1/4)Del**2(Rho)) 0.3667673E+00 Diamond 0.4937348E+01 Metallicity -0.6440097E+01 Ellipticity 0.1993637E-02 Gb(Abramov) 0.1491580E+00 Vb(Abramov) -0.6650832E+00 Hb(Abramov) -0.5159253E+00 Ex_ueg -0.1506731E+00 Ec_ueg -0.1894325E-01 Delta_ex 0.1426075E+00 Delta_ec 0.5206120E-01 Delta_et -0.1206207E+01 Pxc 0.7953919E+01 Qxc 0.2739228E+01 3,-1 152 3 -1 1.700522 -1.787477 0.467477 Rho 0.3802894E-01 |GRAD(Rho)| 0.4209824E-16 GRAD(Rho)x 0.2209231E-16 GRAD(Rho)y -0.1712743E-16 GRAD(Rho)z 0.3147765E-16 Laplacian 0.1611410E+00 (-1/4)Del**2(Rho)) -0.4028526E-01 Diamond 0.6092053E-01 Metallicity 0.1839066E+01 Ellipticity 0.4029518E-01 Gb(Abramov) 0.3920472E-01 Vb(Abramov) -0.3812418E-01 Hb(Abramov) 0.1080542E-02 Ex_ueg -0.9445045E-02 Ec_ueg -0.1764718E-02 Delta_ex -0.1267567E-01 Delta_ec 0.5321868E-02 Delta_et -0.5221410E-01 Pxc 0.5352156E+01 Qxc -0.2381809E+01 3,-1 153 3 -1 1.743483 -0.567178 1.723134 Rho 0.3975830E-01 |GRAD(Rho)| 0.4471603E-16 GRAD(Rho)x 0.3268997E-16 GRAD(Rho)y 0.9842946E-17 GRAD(Rho)z 0.2887916E-16 Laplacian 0.1687823E+00 (-1/4)Del**2(Rho)) -0.4219557E-01 Diamond 0.6716116E-01 Metallicity 0.1890889E+01 Ellipticity 0.3830045E-01 Gb(Abramov) 0.4142823E-01 Vb(Abramov) -0.4066090E-01 Hb(Abramov) 0.7673318E-03 Ex_ueg -0.1002203E-01 Ec_ueg -0.1857110E-02 Delta_ex -0.1338391E-01 Delta_ec 0.5508093E-02 Delta_et -0.5470368E-01 Pxc 0.5396572E+01 Qxc -0.2429863E+01 3,-1 154 3 +1 1.938631 -1.838749 -1.766525 Rho 0.1351730E-01 |GRAD(Rho)| 0.1422370E-16 GRAD(Rho)x 0.1318264E-16 GRAD(Rho)y -0.5309693E-17 GRAD(Rho)z -0.5820574E-18 Laplacian 0.5643082E-01 (-1/4)Del**2(Rho)) -0.1410771E-01 Diamond 0.2470248E-02 Metallicity 0.9366555E+00 Ellipticity -0.1415073E+01 Gb(Abramov) 0.1160748E-01 Vb(Abramov) -0.9107255E-02 Hb(Abramov) 0.2500225E-02 Ex_ueg -0.2378144E-02 Ec_ueg -0.5300581E-03 Delta_ex -0.2815296E-02 Delta_ec 0.6477719E-03 Delta_et -0.5060537E-02 Pxc 0.4486573E+01 Qxc -0.4346122E+01 3,+1 155 3 -1 1.969974 -0.888656 3.048891 Rho 0.9939443E-01 |GRAD(Rho)| 0.5207566E-15 GRAD(Rho)x 0.2225867E-15 GRAD(Rho)y 0.3799383E-15 GRAD(Rho)z -0.2780098E-15 Laplacian 0.4136746E+00 (-1/4)Del**2(Rho)) -0.1034186E+00 Diamond 0.5292600E+00 Metallicity 0.3552694E+01 Ellipticity 0.3932147E-02 Gb(Abramov) 0.1301816E+00 Vb(Abramov) -0.1569445E+00 Hb(Abramov) -0.2676292E-01 Ex_ueg -0.3400435E-01 Ec_ueg -0.5288384E-02 Delta_ex -0.4057608E-01 Delta_ec 0.1212090E-01 Delta_et -0.1510741E+00 Pxc 0.6430008E+01 Qxc -0.3347612E+01 3,-1 156 3 -1 1.986783 -0.673671 -2.886591 Rho 0.1326904E+00 |GRAD(Rho)| 0.1489368E-13 GRAD(Rho)x 0.1076035E-13 GRAD(Rho)y 0.9594810E-14 GRAD(Rho)z 0.3738451E-14 Laplacian 0.5181930E+00 (-1/4)Del**2(Rho)) -0.1295482E+00 Diamond 0.9408248E+00 Metallicity 0.4590439E+01 Ellipticity 0.1091170E+00 Gb(Abramov) 0.1854794E+00 Vb(Abramov) -0.2414105E+00 Hb(Abramov) -0.5593114E-01 Ex_ueg -0.4998478E-01 Ec_ueg -0.7344839E-02 Delta_ex -0.5441517E-01 Delta_ec 0.1427057E-01 Delta_et -0.1879136E+00 Pxc 0.6805429E+01 Qxc -0.3813105E+01 3,-1 157 3 +1 2.159282 -1.511019 1.003490 Rho 0.2410746E-01 |GRAD(Rho)| 0.9227440E-17 GRAD(Rho)x -0.4841361E-17 GRAD(Rho)y -0.7724345E-17 GRAD(Rho)z -0.1428763E-17 Laplacian 0.8809636E-01 (-1/4)Del**2(Rho)) -0.2202409E-01 Diamond 0.9484065E-02 Metallicity 0.1573648E+01 Ellipticity -0.2486978E+01 Gb(Abramov) 0.2045909E-01 Vb(Abramov) -0.1889408E-01 Hb(Abramov) 0.1565004E-02 Ex_ueg -0.5143438E-02 Ec_ueg -0.1043882E-02 Delta_ex -0.5258017E-02 Delta_ec 0.1194592E-02 Delta_et -0.1052848E-01 Pxc 0.4927224E+01 Qxc -0.4401517E+01 3,+1 158 3 -1 1.800718 0.477969 -1.752619 Rho 0.3354383E-01 |GRAD(Rho)| 0.1102921E-15 GRAD(Rho)x -0.8026209E-16 GRAD(Rho)y 0.3588423E-16 GRAD(Rho)z 0.6659331E-16 Laplacian 0.1398307E+00 (-1/4)Del**2(Rho)) -0.3495767E-01 Diamond 0.4408391E-01 Metallicity 0.1719353E+01 Ellipticity 0.1789455E-01 Gb(Abramov) 0.3332254E-01 Vb(Abramov) -0.3168741E-01 Hb(Abramov) 0.1635126E-02 Ex_ueg -0.7989787E-02 Ec_ueg -0.1527809E-02 Delta_ex -0.1063658E-01 Delta_ec 0.4555825E-02 Delta_et -0.4315948E-01 Pxc 0.5229572E+01 Qxc -0.2334720E+01 3,-1 159 3 -1 2.032330 0.805237 -3.041626 Rho 0.9592084E-01 |GRAD(Rho)| 0.1154420E-15 GRAD(Rho)x -0.1538212E-17 GRAD(Rho)y -0.1148373E-15 GRAD(Rho)z 0.1169922E-16 Laplacian 0.3963892E+00 (-1/4)Del**2(Rho)) -0.9909731E-01 Diamond 0.4870008E+00 Metallicity 0.3494188E+01 Ellipticity 0.1131679E-01 Gb(Abramov) 0.1237756E+00 Vb(Abramov) -0.1484540E+00 Hb(Abramov) -0.2467833E-01 Ex_ueg -0.3242916E-01 Ec_ueg -0.5078620E-02 Delta_ex -0.3858593E-01 Delta_ec 0.1174115E-01 Delta_et -0.1452998E+00 Pxc 0.6385427E+01 Qxc -0.3286385E+01 3,-1 160 3 +1 1.519601 0.909369 -2.181206 Rho 0.2366148E-01 |GRAD(Rho)| 0.2284734E-16 GRAD(Rho)x -0.7048016E-17 GRAD(Rho)y 0.6948317E-20 GRAD(Rho)z 0.2173307E-16 Laplacian 0.9005959E-01 (-1/4)Del**2(Rho)) -0.2251490E-01 Diamond 0.8698934E-02 Metallicity 0.1492175E+01 Ellipticity -0.1954154E+01 Gb(Abramov) 0.2060929E-01 Vb(Abramov) -0.1870369E-01 Hb(Abramov) 0.1905604E-02 Ex_ueg -0.5016964E-02 Ec_ueg -0.1021561E-02 Delta_ex -0.5260098E-02 Delta_ec 0.1064847E-02 Delta_et -0.9398348E-02 Pxc 0.4911077E+01 Qxc -0.4939768E+01 3,+1 161 3 -1 1.940458 -3.080024 0.846048 Rho 0.8583438E-01 |GRAD(Rho)| 0.4917950E-15 GRAD(Rho)x 0.3145101E-15 GRAD(Rho)y 0.3490284E-15 GRAD(Rho)z 0.1453441E-15 Laplacian 0.3587428E+00 (-1/4)Del**2(Rho)) -0.8968570E-01 Diamond 0.3866705E+00 Metallicity 0.3208229E+01 Ellipticity 0.3739116E-02 Gb(Abramov) 0.1077458E+00 Vb(Abramov) -0.1258060E+00 Hb(Abramov) -0.1806015E-01 Ex_ueg -0.2796405E-01 Ec_ueg -0.4475264E-02 Delta_ex -0.3407994E-01 Delta_ec 0.1092539E-01 Delta_et -0.1320273E+00 Pxc 0.6248581E+01 Qxc -0.3119333E+01 3,-1 162 3 -1 3.169714 -3.360161 -0.122153 Rho 0.2005416E+00 |GRAD(Rho)| 0.1354030E-15 GRAD(Rho)x 0.5589062E-16 GRAD(Rho)y 0.1228943E-15 GRAD(Rho)z 0.1035413E-16 Laplacian 0.7533529E+00 (-1/4)Del**2(Rho)) -0.1883382E+00 Diamond 0.2155367E+01 Metallicity 0.6284762E+01 Ellipticity 0.9453151E-02 Gb(Abramov) 0.3228356E+00 Vb(Abramov) -0.4573330E+00 Hb(Abramov) -0.1344974E+00 Ex_ueg -0.8669440E-01 Ec_ueg -0.1175427E-01 Delta_ex -0.8694994E-01 Delta_ec 0.1762082E-01 Delta_et -0.2419642E+00 Pxc 0.7375568E+01 Qxc -0.4934500E+01 3,-1 163 3 -1 1.762999 -2.880997 -0.625179 Rho 0.1656332E+00 |GRAD(Rho)| 0.1054416E-13 GRAD(Rho)x -0.2428450E-14 GRAD(Rho)y 0.8386873E-14 GRAD(Rho)z 0.5911206E-14 Laplacian 0.6598892E+00 (-1/4)Del**2(Rho)) -0.1649723E+00 Diamond 0.1500929E+01 Metallicity 0.5216606E+01 Ellipticity 0.9813961E-02 Gb(Abramov) 0.2534141E+00 Vb(Abramov) -0.3418559E+00 Hb(Abramov) -0.8844181E-01 Ex_ueg -0.6718130E-01 Ec_ueg -0.9451666E-02 Delta_ex -0.7257833E-01 Delta_ec 0.1624494E-01 Delta_et -0.2188398E+00 Pxc 0.7107880E+01 Qxc -0.4467749E+01 3,-1 164 3 -1 1.763375 1.714177 -0.529117 Rho 0.3869362E-01 |GRAD(Rho)| 0.1917377E-15 GRAD(Rho)x -0.1328542E-15 GRAD(Rho)y 0.3521624E-16 GRAD(Rho)z -0.1336898E-15 Laplacian 0.1625680E+00 (-1/4)Del**2(Rho)) -0.4064199E-01 Diamond 0.6242875E-01 Metallicity 0.1876335E+01 Ellipticity 0.2079601E-01 Gb(Abramov) 0.3980433E-01 Vb(Abramov) -0.3896667E-01 Hb(Abramov) 0.8376644E-03 Ex_ueg -0.9665794E-02 Ec_ueg -0.1800162E-02 Delta_ex -0.1281152E-01 Delta_ec 0.5314939E-02 Delta_et -0.5239256E-01 Pxc 0.5369401E+01 Qxc -0.2410474E+01 3,-1 165 3 +3 1.980428 1.946721 -1.983010 Rho 0.1126028E-01 |GRAD(Rho)| 0.1657395E-16 GRAD(Rho)x -0.4516805E-17 GRAD(Rho)y 0.6624723E-17 GRAD(Rho)z 0.1450542E-16 Laplacian 0.4783531E-01 (-1/4)Del**2(Rho)) -0.1195883E-01 Diamond 0.1135100E-02 Metallicity 0.8149162E+00 Ellipticity -0.9485023E+00 Gb(Abramov) 0.9596791E-02 Vb(Abramov) -0.7234756E-02 Hb(Abramov) 0.2362035E-02 Ex_ueg -0.1864019E-02 Ec_ueg -0.4255293E-03 Delta_ex -0.2116754E-02 Delta_ec 0.2718076E-03 Delta_et -0.2283569E-02 Pxc 0.4380472E+01 Qxc -0.7787695E+01 3,+3 166 3 -1 3.038464 -0.926639 2.029888 Rho 0.1525254E+00 |GRAD(Rho)| 0.1438391E-15 GRAD(Rho)x -0.7901123E-16 GRAD(Rho)y 0.5177065E-16 GRAD(Rho)z 0.1084744E-15 Laplacian 0.6040840E+00 (-1/4)Del**2(Rho)) -0.1510210E+00 Diamond 0.1265984E+01 Metallicity 0.4966907E+01 Ellipticity 0.3161121E-01 Gb(Abramov) 0.2256985E+00 Vb(Abramov) -0.3003761E+00 Hb(Abramov) -0.7467754E-01 Ex_ueg -0.6018772E-01 Ec_ueg -0.8605370E-02 Delta_ex -0.6530574E-01 Delta_ec 0.1555931E-01 Delta_et -0.2083011E+00 Pxc 0.6994204E+01 Qxc -0.4197212E+01 3,-1 167 3 -1 2.959758 -0.634384 -1.858328 Rho 0.1349737E+00 |GRAD(Rho)| 0.1438757E-15 GRAD(Rho)x -0.1009731E-15 GRAD(Rho)y 0.8638381E-16 GRAD(Rho)z -0.5515879E-16 Laplacian 0.5603018E+00 (-1/4)Del**2(Rho)) -0.1400755E+00 Diamond 0.1024826E+01 Metallicity 0.4367904E+01 Ellipticity 0.2711261E-01 Gb(Abramov) 0.1953563E+00 Vb(Abramov) -0.2506372E+00 Hb(Abramov) -0.5528088E-01 Ex_ueg -0.5113489E-01 Ec_ueg -0.7488670E-02 Delta_ex -0.5892267E-01 Delta_ec 0.1509164E-01 Delta_et -0.1987802E+00 Pxc 0.6828301E+01 Qxc -0.3904324E+01 3,-1 168 3 -1 3.246247 0.004864 3.269162 Rho 0.2060068E+00 |GRAD(Rho)| 0.1174431E-14 GRAD(Rho)x -0.1000664E-14 GRAD(Rho)y -0.6146884E-15 GRAD(Rho)z -0.1084202E-16 Laplacian 0.7745561E+00 (-1/4)Del**2(Rho)) -0.1936390E+00 Diamond 0.2283233E+01 Metallicity 0.6392876E+01 Ellipticity 0.4170521E-02 Gb(Abramov) 0.3354110E+00 Vb(Abramov) -0.4771831E+00 Hb(Abramov) -0.1417720E+00 Ex_ueg -0.8985877E-01 Ec_ueg -0.1212100E-01 Delta_ex -0.8997777E-01 Delta_ec 0.1791804E-01 Delta_et -0.2463239E+00 Pxc 0.7413479E+01 Qxc -0.5021630E+01 3,-1 169 3 -1 3.363934 -0.043970 -3.290692 Rho 0.2061230E+00 |GRAD(Rho)| 0.4237185E-15 GRAD(Rho)x -0.4011006E-15 GRAD(Rho)y 0.2801307E-16 GRAD(Rho)z 0.1336821E-15 Laplacian 0.7667834E+00 (-1/4)Del**2(Rho)) -0.1916958E+00 Diamond 0.2267076E+01 Metallicity 0.6463751E+01 Ellipticity 0.5974078E-02 Gb(Abramov) 0.3343096E+00 Vb(Abramov) -0.4769234E+00 Hb(Abramov) -0.1426138E+00 Ex_ueg -0.8992637E-01 Ec_ueg -0.1212882E-01 Delta_ex -0.8912177E-01 Delta_ec 0.1779626E-01 Delta_et -0.2448797E+00 Pxc 0.7414274E+01 Qxc -0.5007894E+01 3,-1 170 3 -1 2.861930 0.583495 1.856427 Rho 0.1276469E+00 |GRAD(Rho)| 0.1090253E-15 GRAD(Rho)x 0.2352041E-16 GRAD(Rho)y -0.1002074E-15 GRAD(Rho)z 0.3594130E-16 Laplacian 0.5421043E+00 (-1/4)Del**2(Rho)) -0.1355261E+00 Diamond 0.9302774E+00 Metallicity 0.4113526E+01 Ellipticity 0.1629685E-01 Gb(Abramov) 0.1832657E+00 Vb(Abramov) -0.2310054E+00 Hb(Abramov) -0.4773965E-01 Ex_ueg -0.4746778E-01 Ec_ueg -0.7028351E-02 Delta_ex -0.5628935E-01 Delta_ec 0.1486224E-01 Delta_et -0.1940509E+00 Pxc 0.6753757E+01 Qxc -0.3787407E+01 3,-1 171 3 -1 3.078611 2.036045 -0.879022 Rho 0.1423848E+00 |GRAD(Rho)| 0.6690210E-15 GRAD(Rho)x 0.1856696E-15 GRAD(Rho)y -0.1724017E-15 GRAD(Rho)z -0.6191879E-15 Laplacian 0.5708513E+00 (-1/4)Del**2(Rho)) -0.1427128E+00 Diamond 0.1108904E+01 Metallicity 0.4686655E+01 Ellipticity 0.1669746E-01 Gb(Abramov) 0.2066162E+00 Vb(Abramov) -0.2705195E+00 Hb(Abramov) -0.6390335E-01 Ex_ueg -0.5491234E-01 Ec_ueg -0.7957829E-02 Delta_ex -0.6076419E-01 Delta_ec 0.1509529E-01 Delta_et -0.2003575E+00 Pxc 0.6900418E+01 Qxc -0.4025374E+01 3,-1 172 3 -1 3.106727 0.860304 -2.038187 Rho 0.1127355E+00 |GRAD(Rho)| 0.1693579E-15 GRAD(Rho)x 0.1445513E-15 GRAD(Rho)y 0.5717811E-16 GRAD(Rho)z -0.6721376E-16 Laplacian 0.4689593E+00 (-1/4)Del**2(Rho)) -0.1172398E+00 Diamond 0.6901771E+00 Metallicity 0.3865858E+01 Ellipticity 0.7565378E-02 Gb(Abramov) 0.1536986E+00 Vb(Abramov) -0.1901574E+00 Hb(Abramov) -0.3645880E-01 Ex_ueg -0.4022222E-01 Ec_ueg -0.6102780E-02 Delta_ex -0.4724282E-01 Delta_ec 0.1315313E-01 Delta_et -0.1678018E+00 Pxc 0.6590802E+01 Qxc -0.3591754E+01 3,-1 173 3 -1 2.866724 1.855292 0.609167 Rho 0.1352546E+00 |GRAD(Rho)| 0.2005199E-15 GRAD(Rho)x -0.9118818E-16 GRAD(Rho)y 0.2417771E-16 GRAD(Rho)z -0.1769418E-15 Laplacian 0.5715620E+00 (-1/4)Del**2(Rho)) -0.1428905E+00 Diamond 0.1047170E+01 Metallicity 0.4296717E+01 Ellipticity 0.1273945E-01 Gb(Abramov) 0.1975870E+00 Vb(Abramov) -0.2522835E+00 Hb(Abramov) -0.5469651E-01 Ex_ueg -0.5127684E-01 Ec_ueg -0.7506389E-02 Delta_ex -0.6012698E-01 Delta_ec 0.1536965E-01 Delta_et -0.2024769E+00 Pxc 0.6831093E+01 Qxc -0.3912060E+01 3,-1 174 3 -1 -1.834291 -0.479725 -1.710896 Rho 0.5267486E-01 |GRAD(Rho)| 0.5463570E-16 GRAD(Rho)x -0.1769409E-16 GRAD(Rho)y 0.2296984E-16 GRAD(Rho)z -0.4630729E-16 Laplacian 0.2122372E+00 (-1/4)Del**2(Rho)) -0.5305930E-01 Diamond 0.1164145E+00 Metallicity 0.2403241E+01 Ellipticity 0.1720372E-01 Gb(Abramov) 0.5662525E-01 Vb(Abramov) -0.6019119E-01 Hb(Abramov) -0.3565946E-02 Ex_ueg -0.1458331E-01 Ec_ueg -0.2563255E-02 Delta_ex -0.1773822E-01 Delta_ec 0.6387860E-02 Delta_et -0.6829965E-01 Pxc 0.5689373E+01 Qxc -0.2776864E+01 3,-1 175 3 -1 -3.251124 3.238693 -0.035330 Rho 0.2090367E+00 |GRAD(Rho)| 0.2602582E-14 GRAD(Rho)x -0.2003064E-15 GRAD(Rho)y -0.1872200E-14 GRAD(Rho)z 0.1796713E-14 Laplacian 0.7908329E+00 (-1/4)Del**2(Rho)) -0.1977082E+00 Diamond 0.2365570E+01 Metallicity 0.6415531E+01 Ellipticity 0.2295378E-02 Gb(Abramov) 0.3432060E+00 Vb(Abramov) -0.4887039E+00 Hb(Abramov) -0.1454978E+00 Ex_ueg -0.9162523E-01 Ec_ueg -0.1232503E-01 Delta_ex -0.9216917E-01 Delta_ec 0.1814133E-01 Delta_et -0.2493620E+00 Pxc 0.7434078E+01 Qxc -0.5080619E+01 3,-1 176 3 -1 -2.207445 -0.894157 -3.042344 Rho 0.1343192E+00 |GRAD(Rho)| 0.6126165E-15 GRAD(Rho)x -0.2059442E-15 GRAD(Rho)y 0.5710357E-15 GRAD(Rho)z 0.8248746E-16 Laplacian 0.5068587E+00 (-1/4)Del**2(Rho)) -0.1267147E+00 Diamond 0.9142827E+00 Metallicity 0.4789496E+01 Ellipticity 0.1153685E+00 Gb(Abramov) 0.1856263E+00 Vb(Abramov) -0.2445380E+00 Hb(Abramov) -0.5891167E-01 Ex_ueg -0.5080454E-01 Ec_ueg -0.7447406E-02 Delta_ex -0.5315486E-01 Delta_ec 0.1351557E-01 Delta_et -0.1775904E+00 Pxc 0.6821777E+01 Qxc -0.3932861E+01 3,-1 177 3 -1 -1.833788 -0.542824 2.811867 Rho 0.1518789E+00 |GRAD(Rho)| 0.1503468E-13 GRAD(Rho)x -0.1290127E-13 GRAD(Rho)y 0.1729872E-14 GRAD(Rho)z 0.7523719E-14 Laplacian 0.6390667E+00 (-1/4)Del**2(Rho)) -0.1597667E+00 Diamond 0.1303980E+01 Metallicity 0.4661899E+01 Ellipticity 0.1982482E-01 Gb(Abramov) 0.2306471E+00 Vb(Abramov) -0.3015276E+00 Hb(Abramov) -0.7088045E-01 Ex_ueg -0.5984783E-01 Ec_ueg -0.8563901E-02 Delta_ex -0.6873642E-01 Delta_ec 0.1597907E-01 Delta_et -0.2126434E+00 Pxc 0.6988384E+01 Qxc -0.4301653E+01 3,-1 178 3 -1 0.523763 -1.757231 1.745199 Rho 0.4648514E-01 |GRAD(Rho)| 0.1064207E-15 GRAD(Rho)x -0.2617734E-16 GRAD(Rho)y -0.1015546E-15 GRAD(Rho)z 0.1807695E-16 Laplacian 0.1861818E+00 (-1/4)Del**2(Rho)) -0.4654545E-01 Diamond 0.8482437E-01 Metallicity 0.2224332E+01 Ellipticity 0.1839003E-01 Gb(Abramov) 0.4828571E-01 Vb(Abramov) -0.5002598E-01 Hb(Abramov) -0.1740269E-02 Ex_ueg -0.1234442E-01 Ec_ueg -0.2221527E-02 Delta_ex -0.1501614E-01 Delta_ec 0.5495144E-02 Delta_et -0.5683424E-01 Pxc 0.5556727E+01 Qxc -0.2732620E+01 3,-1 179 3 -1 1.822902 2.835088 0.579411 Rho 0.9721691E-01 |GRAD(Rho)| 0.7163040E-16 GRAD(Rho)x 0.1385746E-16 GRAD(Rho)y -0.6613972E-16 GRAD(Rho)z -0.2375758E-16 Laplacian 0.4243403E+00 (-1/4)Del**2(Rho)) -0.1060851E+00 Diamond 0.5301860E+00 Metallicity 0.3337863E+01 Ellipticity 0.1941502E-01 Gb(Abramov) 0.1297396E+00 Vb(Abramov) -0.1533942E+00 Hb(Abramov) -0.2365456E-01 Ex_ueg -0.3301471E-01 Ec_ueg -0.5156773E-02 Delta_ex -0.4143963E-01 Delta_ec 0.1254352E-01 Delta_et -0.1556797E+00 Pxc 0.6402203E+01 Qxc -0.3303667E+01 3,-1 180 3 -1 1.994929 3.023217 -0.883599 Rho 0.9682218E-01 |GRAD(Rho)| 0.1161179E-15 GRAD(Rho)x -0.6586528E-16 GRAD(Rho)y -0.2994092E-16 GRAD(Rho)z -0.9082226E-16 Laplacian 0.4046545E+00 (-1/4)Del**2(Rho)) -0.1011636E+00 Diamond 0.5006714E+00 Metallicity 0.3476591E+01 Ellipticity 0.4345093E-02 Gb(Abramov) 0.1260598E+00 Vb(Abramov) -0.1509560E+00 Hb(Abramov) -0.2489622E-01 Ex_ueg -0.3283610E-01 Ec_ueg -0.5132956E-02 Delta_ex -0.3943681E-01 Delta_ec 0.1189418E-01 Delta_et -0.1474091E+00 Pxc 0.6397112E+01 Qxc -0.3315640E+01 3,-1 181 3 -1 3.252428 3.277443 0.050409 Rho 0.2080474E+00 |GRAD(Rho)| 0.2731524E-15 GRAD(Rho)x -0.1557999E-15 GRAD(Rho)y 0.2155394E-15 GRAD(Rho)z -0.6230097E-16 Laplacian 0.7801511E+00 (-1/4)Del**2(Rho)) -0.1950378E+00 Diamond 0.2326867E+01 Metallicity 0.6452157E+01 Ellipticity 0.3457909E-02 Gb(Abramov) 0.3397609E+00 Vb(Abramov) -0.4844840E+00 Hb(Abramov) -0.1447231E+00 Ex_ueg -0.9104752E-01 Ec_ueg -0.1225836E-01 Delta_ex -0.9085545E-01 Delta_ec 0.1799499E-01 Delta_et -0.2475458E+00 Pxc 0.7427385E+01 Qxc -0.5048930E+01 3,-1 182 3 -1 2.880493 -1.890853 -0.644418 Rho 0.1244085E+00 |GRAD(Rho)| 0.1362571E-11 GRAD(Rho)x -0.4648439E-12 GRAD(Rho)y -0.9799400E-12 GRAD(Rho)z 0.8247655E-12 Laplacian 0.5218017E+00 (-1/4)Del**2(Rho)) -0.1304504E+00 Diamond 0.8674147E+00 Metallicity 0.4094407E+01 Ellipticity 0.1690908E-01 Gb(Abramov) 0.1759865E+00 Vb(Abramov) -0.2215225E+00 Hb(Abramov) -0.4553604E-01 Ex_ueg -0.4586890E-01 Ec_ueg -0.6826029E-02 Delta_ex -0.5384078E-01 Delta_ec 0.1437346E-01 Delta_et -0.1867988E+00 Pxc 0.6719705E+01 Qxc -0.3745846E+01 3,-1 183 3 -1 2.989161 -2.087477 0.830612 Rho 0.9372649E-01 |GRAD(Rho)| 0.2698512E-15 GRAD(Rho)x 0.1956104E-15 GRAD(Rho)y 0.1796083E-15 GRAD(Rho)z 0.4792851E-16 Laplacian 0.3857545E+00 (-1/4)Del**2(Rho)) -0.9643863E-01 Diamond 0.4520326E+00 Metallicity 0.3454666E+01 Ellipticity 0.2162888E-01 Gb(Abramov) 0.1198196E+00 Vb(Abramov) -0.1432006E+00 Hb(Abramov) -0.2338100E-01 Ex_ueg -0.3144379E-01 Ec_ueg -0.4946619E-02 Delta_ex -0.3718812E-01 Delta_ec 0.1118811E-01 Delta_et -0.1374716E+00 Pxc 0.6356623E+01 Qxc -0.3323897E+01 3,-1 184 3 -1 -0.683590 -3.331903 -1.295882 Rho 0.2751197E+00 |GRAD(Rho)| 0.2779988E-13 GRAD(Rho)x -0.2324889E-13 GRAD(Rho)y -0.1453678E-13 GRAD(Rho)z 0.4583043E-14 Laplacian -0.1258311E+01 (-1/4)Del**2(Rho)) 0.3145778E+00 Diamond 0.3978079E+01 Metallicity -0.6373256E+01 Ellipticity 0.3368095E-02 Gb(Abramov) 0.1244289E+00 Vb(Abramov) -0.5634357E+00 Hb(Abramov) -0.4390068E+00 Ex_ueg -0.1321541E+00 Ec_ueg -0.1690060E-01 Delta_ex 0.1166679E+00 Delta_ec 0.4641348E-01 Delta_et -0.1027001E+01 Pxc 0.7819493E+01 Qxc 0.2513665E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 178 110 124 144 141 125 133 116 136 120 139 123 113 145 148 126 119 140 149 106 112 127 152 182 163 183 161 162 164 173 179 171 180 181 93 79 95 63 96 175 87 67 91 78 90 60 174 76 80 68 176 75 71 73 177 77 83 74 153 170 132 166 155 168 158 167 156 172 159 169 129 72 89 151 138 142 99 62 184 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 28 28 36 37 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 21 19 36 54 53 54 52 52 53 2.397428 2.006618 1.973894 1.884310 1.863994 1.757663 1.708599 1.694188 1.707795 1.725877 2.391054 2.045671 1.938021 1.892172 1.878901 1.756835 2.376277 1.869080 1.867732 2.047358 1.972912 1.760337 2.469952 1.985324 1.884216 2.108663 2.135499 1.812485 2.465620 1.952023 2.078121 1.942160 2.088881 1.798375 2.409210 2.039976 1.987812 2.026054 1.986782 1.796341 2.314275 1.926715 1.925762 1.926298 1.972939 1.756385 2.341047 1.885538 1.875687 2.026284 1.978016 1.756132 2.401044 1.980544 1.908864 1.926610 1.908843 1.754925 2.452371 1.973949 2.095140 1.916795 2.078909 1.802032 2.523624 1.955335 1.977238 2.031997 2.094445 1.802128 3.358569 3.250245 3.250896 1.010985 1.584203 1.701270 0.994099 1.893292 1.043770 2.399389 2.007011 1.974321 1.884725 1.864381 1.757676 1.708616 1.694238 1.707804 1.725891 2.393026 2.046007 1.938395 1.892659 1.879244 1.756847 2.377836 1.869368 1.867969 2.047834 1.973447 1.760350 2.471896 1.985482 1.884355 2.108969 2.135806 1.812509 2.467772 1.952213 2.078323 1.942425 2.089195 1.798383 2.411316 2.040215 1.988090 2.026341 1.987108 1.796348 2.316250 1.927228 1.926220 1.926880 1.973775 1.756401 2.342897 1.885828 1.876087 2.026754 1.979136 1.756143 2.402826 1.980971 1.909355 1.927129 1.909355 1.754935 2.454590 1.974119 2.095384 1.917046 2.079208 1.802045 2.525606 1.955569 1.977958 2.032263 2.094738 1.802136 3.451301 3.262150 3.252742 1.011045 1.584886 1.703796 0.994164 1.899477 1.043900 27 31 28 31 24 23 23 27 22 23 31 25 28 28 27 24 31 26 25 28 27 27 29 25 23 27 26 24 29 25 25 24 25 24 30 28 27 26 28 23 30 27 27 28 28 23 27 27 30 28 25 23 30 27 26 27 28 22 29 24 29 25 27 25 29 25 26 25 26 25 37 35 35 20 25 26 18 30 19 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 W As W W Ta Ta Ta W W W Ta Ta 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 H H 2.4264 2.4808 2.4257 2.4358 2.0924 2.1898 2.2150 2.4362 2.4658 2.4298 2.1790 2.1618 -1.1047 -1.0489 -1.1014 -1.1248 -0.9657 -1.0353 -0.9719 -1.0263 -0.8705 -0.9686 -0.9672 -0.9694 -0.9965 -0.9777 -0.9739 -1.0093 -1.0407 -0.9989 -1.0450 -1.0056 -0.9955 -0.9975 -0.9910 -0.8366 -0.8784 -1.0235 -0.9815 -0.9916 -0.8572 -0.9679 -0.8542 -0.8665 -0.9861 -0.9562 -0.9475 -0.8459 -0.8494 -0.8483 -0.9644 0.2865 0.3266 0.2895 2.1062 0.8389 2.1122 2.1047 2.1400 2.1170 2.1057 2.1138 2.1084 2.1029 2.1179 2.1272 1.9383 1.9404 1.9393 1.9317 1.9298 1.9215 1.9303 1.9219 1.8664 1.9318 1.9323 1.9296 1.9260 1.9284 1.9313 1.9301 1.9291 1.9364 1.9285 1.9350 1.9371 1.9366 1.9377 1.8731 1.8800 1.9335 1.9389 1.9377 1.9551 1.9370 1.9558 1.9545 1.9345 1.9394 1.9400 1.9557 1.9553 1.9562 1.9379 0.5727 0.5044 0.5464 6.0947 1.1350 6.1006 6.0960 6.1059 6.0826 6.0754 6.1003 6.0900 6.0959 6.0829 6.0963 5.1304 5.0707 5.1267 5.1567 5.0068 5.0891 5.0137 5.0800 4.9766 5.0094 5.0057 5.0113 5.0445 5.0200 5.0147 5.0536 5.0871 5.0324 5.0913 5.0424 5.0292 5.0335 5.0235 4.9342 4.9690 5.0628 5.0134 5.0246 4.8699 5.0056 4.8660 4.8802 5.0274 4.9910 4.9814 4.8578 4.8618 4.8595 5.0010 0.1408 0.1689 0.1641 3.3430 10.5453 3.3320 3.3339 2.6284 2.5764 2.5694 3.3201 3.3062 3.3417 2.5863 2.5809 0.0360 0.0378 0.0354 0.0364 0.0291 0.0247 0.0278 0.0244 0.0275 0.0274 0.0292 0.0285 0.0261 0.0293 0.0279 0.0256 0.0244 0.0301 0.0252 0.0282 0.0292 0.0274 0.0298 0.0293 0.0293 0.0272 0.0292 0.0293 0.0322 0.0252 0.0323 0.0318 0.0242 0.0258 0.0261 0.0323 0.0323 0.0326 0.0254 0.0000 0.0000 0.0000 14.0297 0.0000 14.0294 14.0297 14.0333 14.0341 14.0345 14.0296 14.0296 14.0296 14.0340 14.0338 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W As W W Ta Ta Ta W W W Ta Ta 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 H H 2.498061 2.315619 2.498870 2.491943 2.326759 2.356103 2.364014 2.515861 2.517931 2.498589 2.350413 2.352720 -1.093301 -1.039159 -1.094374 -1.102545 -0.987033 -1.064884 -0.999092 -1.057085 -0.726395 -1.002160 -0.977492 -0.988227 -1.020288 -0.986054 -1.003386 -0.873487 -1.069394 -0.981704 -1.064421 -1.010996 -1.003053 -1.003776 -0.990554 -0.660543 -0.650908 -1.026240 -0.997172 -0.998664 -0.907114 -1.065102 -0.903997 -0.918592 -1.093604 -1.045708 -1.034813 -0.895570 -0.897504 -0.897263 -1.057652 0.041561 0.045848 0.015015 1.930997 1.729208 1.935983 1.925133 1.812161 1.842325 1.836626 1.937430 1.948513 1.926451 1.837447 1.862129 -0.714358 -0.680884 -0.720867 -0.722982 -0.743230 -0.841701 -0.771083 -0.815831 -0.906187 -0.768979 -0.729733 -0.740993 -0.765244 -0.722309 -0.777217 -0.790980 -0.922601 -0.827666 -0.902235 -0.857705 -0.847249 -0.829599 -0.833308 -0.849147 -0.845586 -0.864201 -0.845918 -0.846290 -0.825763 -1.002926 -0.822892 -0.839503 -1.042738 -0.989930 -0.976075 -0.802920 -0.803402 -0.815098 -1.003473 0.340809 0.258663 0.284928 2.035669 1.672207 2.042547 2.036535 1.927068 1.963056 1.952814 2.061064 2.071511 2.036746 1.958591 1.971971 -0.781927 -0.773573 -0.792039 -0.794255 -0.823337 -0.928492 -0.842978 -0.912705 -0.903771 -0.842626 -0.810328 -0.820896 -0.861112 -0.827257 -0.847333 -0.881561 -0.964833 -0.875267 -0.954164 -0.886490 -0.868658 -0.865914 -0.863576 -0.873650 -0.869048 -0.906728 -0.871787 -0.869098 -0.794041 -0.988437 -0.791949 -0.803619 -1.017269 -0.963232 -0.952849 -0.785591 -0.797534 -0.781021 -0.978069 0.438722 0.296049 0.302462 -15.10144925 -4.02380533 -2.08340312 15.76658959 -41.67455959 23.15914856 2.75676822 16.68780284 13.34840598 24.98675674 -368.4126 421.1204 -0.6115 -431.3195 -96.0645 -475.2876 Jun20-2024 06:37:25 Nodes: 1 Procs: 1 Jun20-2024 06:37:27 Nodes: 1 Procs: 1 0 Jun20-2024 06:37:29 Nodes: 1 Procs: 1 Jun20-2024 06:37:31 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:37:33 Nodes: 1 Procs: 1 Jun20-2024 06:37:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:37:38 Nodes: 1 Procs: 1 Jun20-2024 06:37:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 06:37:41 Nodes: 1 Procs: 1 Jun20-2024 06:37:43 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 06:37:47 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -16.99648773 -17.28640816 -17.33010690 -17.35522359 -17.40528933 -17.42614596 -17.43933678 -17.44798741 -17.45538428 -17.45815895 -17.46241662 -17.46425272 -17.46475820 -17.46541449 -17.46579392 -17.46608438 -17.46628117 -17.46638728 -17.46645809 -17.46648302 -17.46649856 GEOMETRY CONVERGED