ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:17:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.03 1.27 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 06:17:50 Nodes: 1 Procs: 1 Jun20-2024 06:17:52 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:17:53 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.06 1.84 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 06:17:50 Nodes: 1 Procs: 1 Jun20-2024 06:17:52 Nodes: 1 Procs: 1 0 Jun20-2024 06:17:53 Nodes: 1 Procs: 1 Jun20-2024 06:17:55 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:17:58 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.44 0.07 2.97 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 06:17:50 Nodes: 1 Procs: 1 Jun20-2024 06:17:52 Nodes: 1 Procs: 1 0 Jun20-2024 06:17:53 Nodes: 1 Procs: 1 Jun20-2024 06:17:55 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:17:58 Nodes: 1 Procs: 1 Jun20-2024 06:18:00 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:18:03 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.90 0.04 1.22 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 06:17:50 Nodes: 1 Procs: 1 Jun20-2024 06:17:52 Nodes: 1 Procs: 1 0 Jun20-2024 06:17:53 Nodes: 1 Procs: 1 Jun20-2024 06:17:55 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:17:58 Nodes: 1 Procs: 1 Jun20-2024 06:18:00 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:18:03 Nodes: 1 Procs: 1 Jun20-2024 06:18:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:18:06 Hydrogen (TZP) c1-18 c1-18 c1-18 c1-18 c1-18 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.42 0.08 2.87 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 06:17:50 Nodes: 1 Procs: 1 Jun20-2024 06:17:52 Nodes: 1 Procs: 1 0 Jun20-2024 06:17:53 Nodes: 1 Procs: 1 Jun20-2024 06:17:55 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:17:58 Nodes: 1 Procs: 1 Jun20-2024 06:18:00 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:18:03 Nodes: 1 Procs: 1 Jun20-2024 06:18:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 06:18:06 Nodes: 1 Procs: 1 Jun20-2024 06:18:09 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:18:13 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 06:18:09 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun20-2024 06:17:55 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun20-2024 06:18:00 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun20-2024 06:18:05 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun20-2024 06:17:52 1 1 Hydrogen TZP 1 1 -16.96760279 0.24900540 0.00100000 F 0.08948431 0.00066667 F 0.24900540 0.08948431 0.29094219 0.01000000 F 0.06804228 0.00666667 F Cartesian 2706.6777000000056 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-1.098031 -1.020297 -1.021121 Rho 0.3190858E+03 3,-3 15 3 -3 0.926332 0.927093 -1.013712 Rho 0.3190354E+03 3,-3 16 3 -3 -1.011284 0.987311 0.999623 Rho 0.3189751E+03 3,-3 17 3 -3 -3.060851 -1.190777 1.222773 Rho 0.3188177E+03 3,-3 18 3 -3 3.101661 -1.125046 -1.199738 Rho 0.3188276E+03 3,-3 19 3 -3 -2.979795 1.154139 -1.155548 Rho 0.3188589E+03 3,-3 20 3 -3 3.049513 1.145882 1.166653 Rho 0.3188459E+03 3,-3 21 3 -3 1.392069 -1.201054 -3.217132 Rho 0.3191857E+03 3,-3 22 3 -3 1.199440 1.129906 3.036482 Rho 0.3188816E+03 3,-3 23 3 -3 -1.159350 1.185334 -3.049862 Rho 0.3188672E+03 3,-3 24 3 -3 -1.101086 -1.186938 3.091173 Rho 0.3188695E+03 3,-3 25 3 -3 -1.108482 3.073952 -1.185462 Rho 0.3188927E+03 3,-3 26 3 -3 -1.205648 -3.093451 1.265726 Rho 0.3188900E+03 3,-3 27 3 -3 1.201388 3.000861 1.129686 Rho 0.3188620E+03 3,-3 28 3 -3 1.233474 -3.109506 -1.305093 Rho 0.3186462E+03 3,-3 29 3 -3 3.453047 -1.469359 1.542741 Rho 0.3188954E+03 3,-3 30 3 -3 -3.550430 -1.530112 -1.624035 Rho 0.3188491E+03 3,-3 31 3 -3 3.428191 1.532238 -1.469781 Rho 0.3189515E+03 3,-3 32 3 -3 -3.551597 1.564979 1.603299 Rho 0.3188383E+03 3,-3 33 3 -3 1.553330 -1.536718 3.410430 Rho 0.3189097E+03 3,-3 34 3 -3 1.555586 1.527980 -3.406268 Rho 0.3188972E+03 3,-3 35 3 -3 -1.520960 1.548839 3.546619 Rho 0.3188483E+03 3,-3 36 3 -3 -1.852774 -1.292130 -3.787529 Rho 0.3191862E+03 3,-3 37 3 -3 -1.562939 -3.740710 -1.333392 Rho 0.3186427E+03 3,-3 38 3 -3 -1.537957 3.535394 1.537955 Rho 0.3188524E+03 3,-3 39 3 -3 1.486996 -3.459304 1.515592 Rho 0.3188794E+03 3,-3 40 3 -3 1.538458 3.416503 -1.512005 Rho 0.3189057E+03 3,-3 41 3 -3 -0.176670 -3.775330 3.813655 Rho 0.3191905E+03 3,-3 42 3 -3 3.900479 -0.103176 -3.788438 Rho 0.3191633E+03 3,-3 43 3 -3 -0.176963 3.747208 -3.774742 Rho 0.3191977E+03 3,-3 44 3 -3 0.269160 3.857572 3.818542 Rho 0.3190618E+03 3,-3 45 3 -3 3.877850 -3.810957 -0.143783 Rho 0.3190760E+03 3,-3 46 3 -3 3.785097 3.768651 0.218031 Rho 0.3191959E+03 3,-3 47 3 -3 -3.869592 3.814415 -0.264354 Rho 0.3190537E+03 3,-3 48 3 -3 -3.983297 -3.741733 0.184484 Rho 0.3190760E+03 3,-3 49 3 -3 -3.967783 0.437947 -3.658729 Rho 0.3191518E+03 3,-3 50 3 -3 -3.819211 -0.242919 3.910091 Rho 0.3190614E+03 3,-3 51 3 -3 3.764658 0.221226 3.802258 Rho 0.3191989E+03 3,-3 52 3 -3 1.166118 -2.412548 -2.024400 Rho 0.4367147E+00 3,-3 53 3 -3 -0.610537 -3.449750 -1.323251 Rho 0.4452818E+00 3,-3 54 3 -1 -3.109457 2.021620 0.916960 Rho 0.1268003E+00 |GRAD(Rho)| 0.1972560E-13 GRAD(Rho)x 0.6626684E-14 GRAD(Rho)y 0.1082036E-13 GRAD(Rho)z -0.1510318E-13 Laplacian 0.5094725E+00 (-1/4)Del**2(Rho)) -0.1273681E+00 Diamond 0.8635593E+00 Metallicity 0.4328718E+01 Ellipticity 0.1433827E-01 Gb(Abramov) 0.1768022E+00 Vb(Abramov) -0.2262363E+00 Hb(Abramov) -0.4943408E-01 Ex_ueg -0.4704844E-01 Ec_ueg -0.6975388E-02 Delta_ex -0.5277039E-01 Delta_ec 0.1390575E-01 Delta_et -0.1812089E+00 Pxc 0.6744922E+01 Qxc -0.3794861E+01 3,-1 55 3 +1 -1.725207 -0.547708 0.593489 Rho 0.8935323E-02 |GRAD(Rho)| 0.7406946E-13 GRAD(Rho)x 0.5366643E-13 GRAD(Rho)y 0.3755763E-13 GRAD(Rho)z -0.3457780E-13 Laplacian 0.3243727E-01 (-1/4)Del**2(Rho)) -0.8109318E-02 Diamond 0.9256079E-03 Metallicity 0.8173712E+00 Ellipticity -0.1573596E+01 Gb(Abramov) 0.6510932E-02 Vb(Abramov) -0.4912547E-02 Hb(Abramov) 0.1598386E-02 Ex_ueg -0.1369406E-02 Ec_ueg -0.3200083E-03 Delta_ex -0.1501049E-02 Delta_ec 0.4649150E-03 Delta_et -0.3202243E-02 Pxc 0.4279282E+01 Qxc -0.3228651E+01 3,+1 56 3 -1 -1.833698 -0.574843 -1.794486 Rho 0.4597568E-01 |GRAD(Rho)| 0.1855738E-12 GRAD(Rho)x 0.1705740E-12 GRAD(Rho)y 0.7305337E-13 GRAD(Rho)z 0.2312428E-14 Laplacian 0.1808201E+00 (-1/4)Del**2(Rho)) -0.4520503E-01 Diamond 0.8256505E-01 Metallicity 0.2248606E+01 Ellipticity 0.1718801E-01 Gb(Abramov) 0.4707807E-01 Vb(Abramov) -0.4895111E-01 Hb(Abramov) -0.1873040E-02 Ex_ueg -0.1216436E-01 Ec_ueg -0.2193662E-02 Delta_ex -0.1461134E-01 Delta_ec 0.5458554E-02 Delta_et -0.5631851E-01 Pxc 0.5545229E+01 Qxc -0.2676779E+01 3,-1 57 3 -1 -3.297140 3.228706 -0.075196 Rho 0.2001127E+00 |GRAD(Rho)| 0.2713299E-14 GRAD(Rho)x 0.5803192E-15 GRAD(Rho)y 0.1808449E-14 GRAD(Rho)z -0.1937713E-14 Laplacian 0.7611154E+00 (-1/4)Del**2(Rho)) -0.1902788E+00 Diamond 0.2165874E+01 Metallicity 0.6198508E+01 Ellipticity 0.4774617E-02 Gb(Abramov) 0.3234267E+00 Vb(Abramov) -0.4565746E+00 Hb(Abramov) -0.1331479E+00 Ex_ueg -0.8644728E-01 Ec_ueg -0.1172556E-01 Delta_ex -0.8775644E-01 Delta_ec 0.1773889E-01 Delta_et -0.2432872E+00 Pxc 0.7372551E+01 Qxc -0.4947121E+01 3,-1 58 3 +1 -0.601178 1.674794 -0.531277 Rho 0.8295921E-02 |GRAD(Rho)| 0.1718914E-12 GRAD(Rho)x 0.1521147E-12 GRAD(Rho)y 0.6860387E-13 GRAD(Rho)z 0.4124660E-13 Laplacian 0.3153392E-01 (-1/4)Del**2(Rho)) -0.7883480E-02 Diamond 0.7971781E-03 Metallicity 0.7429213E+00 Ellipticity -0.1448744E+01 Gb(Abramov) 0.6231788E-02 Vb(Abramov) -0.4580095E-02 Hb(Abramov) 0.1651692E-02 Ex_ueg -0.1240332E-02 Ec_ueg -0.2913954E-03 Delta_ex -0.1424559E-02 Delta_ec 0.4384015E-03 Delta_et -0.2973194E-02 Pxc 0.4256525E+01 Qxc -0.3249439E+01 3,+1 59 3 +1 -1.340678 2.227013 1.179353 Rho 0.2502571E-01 |GRAD(Rho)| 0.9217647E-14 GRAD(Rho)x -0.3101991E-14 GRAD(Rho)y 0.8176980E-14 GRAD(Rho)z 0.2911986E-14 Laplacian 0.9220929E-01 (-1/4)Del**2(Rho)) -0.2305232E-01 Diamond 0.1248991E-01 Metallicity 0.1600107E+01 Ellipticity -0.7879763E+01 Gb(Abramov) 0.2151591E-01 Vb(Abramov) -0.1997950E-01 Hb(Abramov) 0.1536410E-02 Ex_ueg -0.5406300E-02 Ec_ueg -0.1090009E-02 Delta_ex -0.5781273E-02 Delta_ec 0.1644673E-02 Delta_et -0.1450300E-01 Pxc 0.4959870E+01 Qxc -0.3515151E+01 3,+1 60 3 +1 -2.919124 -0.216448 -0.174824 Rho 0.5185605E-02 |GRAD(Rho)| 0.8362868E-15 GRAD(Rho)x -0.1213301E-16 GRAD(Rho)y -0.6323943E-15 GRAD(Rho)z -0.5470885E-15 Laplacian 0.1986413E-01 (-1/4)Del**2(Rho)) -0.4966033E-02 Diamond 0.4080427E-03 Metallicity 0.5389427E+00 Ellipticity -0.2142834E+01 Gb(Abramov) 0.3756756E-02 Vb(Abramov) -0.2547480E-02 Hb(Abramov) 0.1209276E-02 Ex_ueg -0.6629045E-03 Ec_ueg -0.1549089E-03 Delta_ex -0.9252183E-03 Delta_ec 0.5016078E-03 Delta_et -0.2804005E-02 Pxc 0.4279319E+01 Qxc -0.1844506E+01 3,+1 61 3 -1 -3.259220 -0.065023 3.312055 Rho 0.2021935E+00 |GRAD(Rho)| 0.3095877E-15 GRAD(Rho)x -0.2725142E-15 GRAD(Rho)y -0.5388485E-16 GRAD(Rho)z -0.1366637E-15 Laplacian 0.7653354E+00 (-1/4)Del**2(Rho)) -0.1913338E+00 Diamond 0.2206900E+01 Metallicity 0.6271527E+01 Ellipticity 0.3201350E-02 Gb(Abramov) 0.3275485E+00 Vb(Abramov) -0.4637631E+00 Hb(Abramov) -0.1362146E+00 Ex_ueg -0.8764785E-01 Ec_ueg -0.1186494E-01 Delta_ex -0.8848855E-01 Delta_ec 0.1780774E-01 Delta_et -0.2445040E+00 Pxc 0.7387131E+01 Qxc -0.4969106E+01 3,-1 62 3 +1 -0.197381 0.215815 3.026685 Rho 0.5361768E-02 |GRAD(Rho)| 0.2184851E-13 GRAD(Rho)x -0.2176918E-13 GRAD(Rho)y -0.5027787E-15 GRAD(Rho)z -0.1790922E-14 Laplacian 0.2110479E-01 (-1/4)Del**2(Rho)) -0.5276197E-02 Diamond 0.4492407E-03 Metallicity 0.5363053E+00 Ellipticity -0.1912059E+01 Gb(Abramov) 0.3989074E-02 Vb(Abramov) -0.2701950E-02 Hb(Abramov) 0.1287124E-02 Ex_ueg -0.6930997E-03 Ec_ueg -0.1625142E-03 Delta_ex -0.9863055E-03 Delta_ec 0.5265319E-03 Delta_et -0.2975434E-02 Pxc 0.4264856E+01 Qxc -0.1873211E+01 3,+1 63 3 -1 -3.354915 0.158481 -3.193376 Rho 0.2207244E+00 |GRAD(Rho)| 0.3076328E-15 GRAD(Rho)x 0.2297424E-15 GRAD(Rho)y -0.1146273E-15 GRAD(Rho)z 0.1694608E-15 Laplacian 0.8140041E+00 (-1/4)Del**2(Rho)) -0.2035010E+00 Diamond 0.2613318E+01 Metallicity 0.6824493E+01 Ellipticity 0.2305510E-01 Gb(Abramov) 0.3671325E+00 Vb(Abramov) -0.5307641E+00 Hb(Abramov) -0.1636315E+00 Ex_ueg -0.9851872E-01 Ec_ueg -0.1311683E-01 Delta_ex -0.9629241E-01 Delta_ec 0.1853475E-01 Delta_et -0.2562070E+00 Pxc 0.7510863E+01 Qxc -0.5195237E+01 3,-1 64 3 +1 -1.683194 0.552327 -0.527535 Rho 0.1010204E-01 |GRAD(Rho)| 0.5449499E-14 GRAD(Rho)x 0.3128422E-14 GRAD(Rho)y 0.1944857E-14 GRAD(Rho)z 0.4015912E-14 Laplacian 0.3748327E-01 (-1/4)Del**2(Rho)) -0.9370818E-02 Diamond 0.1284140E-02 Metallicity 0.8678749E+00 Ellipticity -0.1635545E+01 Gb(Abramov) 0.7602662E-02 Vb(Abramov) -0.5834506E-02 Hb(Abramov) 0.1768156E-02 Ex_ueg -0.1612861E-02 Ec_ueg -0.3726769E-03 Delta_ex -0.1796726E-02 Delta_ec 0.5499386E-03 Delta_et -0.3899496E-02 Pxc 0.4327773E+01 Qxc -0.3267139E+01 3,+1 65 3 +1 -2.940305 0.127438 0.178843 Rho 0.5248778E-02 |GRAD(Rho)| 0.8506933E-17 GRAD(Rho)x 0.8259391E-19 GRAD(Rho)y 0.8479523E-17 GRAD(Rho)z -0.6773260E-18 Laplacian 0.1988261E-01 (-1/4)Del**2(Rho)) -0.4970653E-02 Diamond 0.4659174E-03 Metallicity 0.5494187E+00 Ellipticity -0.4433872E+01 Gb(Abramov) 0.3768930E-02 Vb(Abramov) -0.2567207E-02 Hb(Abramov) 0.1201723E-02 Ex_ueg -0.6736940E-03 Ec_ueg -0.1576344E-03 Delta_ex -0.9726186E-03 Delta_ec 0.5809827E-03 Delta_et -0.3219681E-02 Pxc 0.4273775E+01 Qxc -0.1674092E+01 3,+1 66 3 -1 -3.098312 0.894855 2.073066 Rho 0.1267493E+00 |GRAD(Rho)| 0.4096150E-15 GRAD(Rho)x 0.2097796E-15 GRAD(Rho)y -0.3442071E-15 GRAD(Rho)z 0.7279062E-16 Laplacian 0.5089585E+00 (-1/4)Del**2(Rho)) -0.1272396E+00 Diamond 0.8618485E+00 Metallicity 0.4330188E+01 Ellipticity 0.1085911E-01 Gb(Abramov) 0.1766550E+00 Vb(Abramov) -0.2260704E+00 Hb(Abramov) -0.4941537E-01 Ex_ueg -0.4702323E-01 Ec_ueg -0.6972201E-02 Delta_ex -0.5270682E-01 Delta_ec 0.1388362E-01 Delta_et -0.1808915E+00 Pxc 0.6744388E+01 Qxc -0.3796332E+01 3,-1 67 3 +1 -0.647042 0.504282 -1.694186 Rho 0.8547047E-02 |GRAD(Rho)| 0.3970311E-15 GRAD(Rho)x -0.3274882E-15 GRAD(Rho)y -0.1020209E-15 GRAD(Rho)z -0.1999423E-15 Laplacian 0.3309549E-01 (-1/4)Del**2(Rho)) -0.8273873E-02 Diamond 0.9096543E-03 Metallicity 0.7439398E+00 Ellipticity -0.1492273E+01 Gb(Abramov) 0.6541793E-02 Vb(Abramov) -0.4809712E-02 Hb(Abramov) 0.1732080E-02 Ex_ueg -0.1290644E-02 Ec_ueg -0.3026115E-03 Delta_ex -0.1523835E-02 Delta_ec 0.4911769E-03 Delta_et -0.3331113E-02 Pxc 0.4265020E+01 Qxc -0.3102416E+01 3,+1 68 3 -1 -3.371282 -3.191692 0.035095 Rho 0.2040079E+00 |GRAD(Rho)| 0.1059118E-13 GRAD(Rho)x -0.4835000E-14 GRAD(Rho)y -0.3790154E-14 GRAD(Rho)z 0.8627322E-14 Laplacian 0.7809243E+00 (-1/4)Del**2(Rho)) -0.1952311E+00 Diamond 0.2274108E+01 Metallicity 0.6238534E+01 Ellipticity 0.5195423E-02 Gb(Abramov) 0.3331466E+00 Vb(Abramov) -0.4710622E+00 Hb(Abramov) -0.1379156E+00 Ex_ueg -0.8869811E-01 Ec_ueg -0.1198667E-01 Delta_ex -0.9048405E-01 Delta_ec 0.1810150E-01 Delta_et -0.2486209E+00 Pxc 0.7399727E+01 Qxc -0.4998703E+01 3,-1 69 3 +1 -1.785313 -1.780941 1.833345 Rho 0.1163295E-01 |GRAD(Rho)| 0.1137432E-13 GRAD(Rho)x 0.8569914E-14 GRAD(Rho)y -0.6425560E-14 GRAD(Rho)z 0.3826748E-14 Laplacian 0.5521849E-01 (-1/4)Del**2(Rho)) -0.1380462E-01 Diamond 0.2046579E-02 Metallicity 0.7453237E+00 Ellipticity -0.1268669E+01 Gb(Abramov) 0.1091790E-01 Vb(Abramov) -0.8031179E-02 Hb(Abramov) 0.2886722E-02 Ex_ueg -0.1946726E-02 Ec_ueg -0.4426512E-03 Delta_ex -0.2669889E-02 Delta_ec 0.6770633E-03 Delta_et -0.5069344E-02 Pxc 0.4397877E+01 Qxc -0.3943337E+01 3,+1 70 3 -1 -2.806794 1.805526 -0.549377 Rho 0.1409183E+00 |GRAD(Rho)| 0.1148581E-15 GRAD(Rho)x 0.3989186E-16 GRAD(Rho)y -0.9901476E-16 GRAD(Rho)z -0.4239230E-16 Laplacian 0.5949556E+00 (-1/4)Del**2(Rho)) -0.1487389E+00 Diamond 0.1138187E+01 Metallicity 0.4419850E+01 Ellipticity 0.1602153E-01 Gb(Abramov) 0.2087265E+00 Vb(Abramov) -0.2687142E+00 Hb(Abramov) -0.5998763E-01 Ex_ueg -0.5415952E-01 Ec_ueg -0.7864712E-02 Delta_ex -0.6313595E-01 Delta_ec 0.1570910E-01 Delta_et -0.2080409E+00 Pxc 0.6886396E+01 Qxc -0.4019069E+01 3,-1 71 3 -1 -2.942908 0.024323 0.073596 Rho 0.5255932E-02 |GRAD(Rho)| 0.3381277E-15 GRAD(Rho)x -0.2662310E-15 GRAD(Rho)y 0.1296895E-15 GRAD(Rho)z 0.1631932E-15 Laplacian 0.1973557E-01 (-1/4)Del**2(Rho)) -0.4933893E-02 Diamond 0.5171363E-03 Metallicity 0.5547701E+00 Ellipticity 0.4275484E+01 Gb(Abramov) 0.3745458E-02 Vb(Abramov) -0.2557023E-02 Hb(Abramov) 0.1188435E-02 Ex_ueg -0.6749185E-03 Ec_ueg -0.1579432E-03 Delta_ex -0.1012442E-02 Delta_ec 0.6601613E-03 Delta_et -0.3623798E-02 Pxc 0.4273173E+01 Qxc -0.1533628E+01 3,-1 72 3 +1 -2.252872 1.212172 1.323076 Rho 0.2470016E-01 |GRAD(Rho)| 0.2357852E-16 GRAD(Rho)x 0.1466136E-16 GRAD(Rho)y -0.1842203E-16 GRAD(Rho)z 0.1272864E-17 Laplacian 0.9025210E-01 (-1/4)Del**2(Rho)) -0.2256302E-01 Diamond 0.1215597E-01 Metallicity 0.1599516E+01 Ellipticity -0.1042820E+02 Gb(Abramov) 0.2105700E-01 Vb(Abramov) -0.1955098E-01 Hb(Abramov) 0.1506020E-02 Ex_ueg -0.5312733E-02 Ec_ueg -0.1073629E-02 Delta_ex -0.5655446E-02 Delta_ec 0.1639185E-02 Delta_et -0.1440083E-01 Pxc 0.4948387E+01 Qxc -0.3450157E+01 3,+1 73 3 -1 -3.117425 -2.005949 -0.924410 Rho 0.1173374E+00 |GRAD(Rho)| 0.1243832E-13 GRAD(Rho)x 0.4815857E-14 GRAD(Rho)y 0.9677778E-14 GRAD(Rho)z -0.6153037E-14 Laplacian 0.4792589E+00 (-1/4)Del**2(Rho)) -0.1198147E+00 Diamond 0.7456085E+00 Metallicity 0.4043623E+01 Ellipticity 0.4270012E-01 Gb(Abramov) 0.1606241E+00 Vb(Abramov) -0.2014334E+00 Hb(Abramov) -0.4080935E-01 Ex_ueg -0.4242617E-01 Ec_ueg -0.6386766E-02 Delta_ex -0.4881300E-01 Delta_ec 0.1345573E-01 Delta_et -0.1731528E+00 Pxc 0.6642825E+01 Qxc -0.3627673E+01 3,-1 74 3 -1 -2.863999 -1.827638 0.587037 Rho 0.1314918E+00 |GRAD(Rho)| 0.1001746E-15 GRAD(Rho)x 0.8498112E-16 GRAD(Rho)y -0.4239230E-16 GRAD(Rho)z -0.3187554E-16 Laplacian 0.5579558E+00 (-1/4)Del**2(Rho)) -0.1394889E+00 Diamond 0.9859124E+00 Metallicity 0.4199308E+01 Ellipticity 0.8485616E-02 Gb(Abramov) 0.1906188E+00 Vb(Abramov) -0.2417487E+00 Hb(Abramov) -0.5112987E-01 Ex_ueg -0.4938366E-01 Ec_ueg -0.7269471E-02 Delta_ex -0.5827240E-01 Delta_ec 0.1505658E-01 Delta_et -0.1973418E+00 Pxc 0.6793295E+01 Qxc -0.3870229E+01 3,-1 75 3 +1 -2.305873 -1.379573 -1.162127 Rho 0.2736132E-01 |GRAD(Rho)| 0.4903712E-17 GRAD(Rho)x -0.4878832E-17 GRAD(Rho)y -0.6157532E-19 GRAD(Rho)z -0.4894907E-18 Laplacian 0.1076421E+00 (-1/4)Del**2(Rho)) -0.2691053E-01 Diamond 0.1608045E-01 Metallicity 0.1590472E+01 Ellipticity -0.4286729E+01 Gb(Abramov) 0.2507376E-01 Vb(Abramov) -0.2323699E-01 Hb(Abramov) 0.1836770E-02 Ex_ueg -0.6089305E-02 Ec_ueg -0.1208322E-02 Delta_ex -0.6871953E-02 Delta_ec 0.1850472E-02 Delta_et -0.1669239E-01 Pxc 0.5039471E+01 Qxc -0.3713621E+01 3,+1 76 3 +3 -2.410900 -0.004882 0.061528 Rho 0.4742843E-02 |GRAD(Rho)| 0.6717732E-17 GRAD(Rho)x 0.3508127E-17 GRAD(Rho)y 0.2256563E-18 GRAD(Rho)z -0.5724513E-17 Laplacian 0.1870059E-01 (-1/4)Del**2(Rho)) -0.4675147E-02 Diamond 0.1800256E-03 Metallicity 0.4933507E+00 Ellipticity -0.3047155E+00 Gb(Abramov) 0.3501179E-02 Vb(Abramov) -0.2327212E-02 Hb(Abramov) 0.1173968E-02 Ex_ueg -0.5885319E-03 Ec_ueg -0.1358631E-03 Delta_ex -0.6950306E-03 Delta_ec 0.1865096E-03 Delta_et -0.1160524E-02 Pxc 0.4331801E+01 Qxc -0.3726514E+01 3,+3 77 3 -1 -2.209518 -0.771541 -3.260493 Rho 0.2166475E+00 |GRAD(Rho)| 0.6845918E-14 GRAD(Rho)x 0.2312142E-14 GRAD(Rho)y -0.3214443E-14 GRAD(Rho)z -0.5584617E-14 Laplacian 0.8585354E+00 (-1/4)Del**2(Rho)) -0.2146339E+00 Diamond 0.2638593E+01 Metallicity 0.6272553E+01 Ellipticity 0.1299937E-01 Gb(Abramov) 0.3674729E+00 Vb(Abramov) -0.5203120E+00 Hb(Abramov) -0.1528391E+00 Ex_ueg -0.9609997E-01 Ec_ueg -0.1283978E-01 Delta_ex -0.1007275E+00 Delta_ec 0.1903598E-01 Delta_et -0.2604687E+00 Pxc 0.7484550E+01 Qxc -0.5291427E+01 3,-1 78 3 -1 -2.839506 -0.567088 1.876239 Rho 0.1264153E+00 |GRAD(Rho)| 0.6728010E-16 GRAD(Rho)x -0.5952270E-16 GRAD(Rho)y -0.2473336E-16 GRAD(Rho)z -0.1928525E-16 Laplacian 0.5357012E+00 (-1/4)Del**2(Rho)) -0.1339253E+00 Diamond 0.9078873E+00 Metallicity 0.4095969E+01 Ellipticity 0.2123090E-01 Gb(Abramov) 0.1807092E+00 Vb(Abramov) -0.2274930E+00 Hb(Abramov) -0.4678387E-01 Ex_ueg -0.4685809E-01 Ec_ueg -0.6951322E-02 Delta_ex -0.5548672E-01 Delta_ec 0.1470314E-01 Delta_et -0.1916221E+00 Pxc 0.6740889E+01 Qxc -0.3773800E+01 3,-1 79 3 -1 -2.805888 0.532767 -1.855661 Rho 0.1146967E+00 |GRAD(Rho)| 0.5229558E-15 GRAD(Rho)x 0.8863861E-16 GRAD(Rho)y -0.3985663E-15 GRAD(Rho)z -0.3267582E-15 Laplacian 0.4887603E+00 (-1/4)Del**2(Rho)) -0.1221901E+00 Diamond 0.7129612E+00 Metallicity 0.3817409E+01 Ellipticity 0.5050543E-02 Gb(Abramov) 0.1592016E+00 Vb(Abramov) -0.1962132E+00 Hb(Abramov) -0.3701156E-01 Ex_ueg -0.4115787E-01 Ec_ueg -0.6223619E-02 Delta_ex -0.4913203E-01 Delta_ec 0.1310963E-01 Delta_et -0.1669795E+00 Pxc 0.6613173E+01 Qxc -0.3747781E+01 3,-1 80 3 -1 -1.812701 -0.562461 2.857664 Rho 0.1010628E+00 |GRAD(Rho)| 0.2787119E-14 GRAD(Rho)x -0.2070487E-14 GRAD(Rho)y 0.1790424E-14 GRAD(Rho)z -0.5248758E-15 Laplacian 0.4351348E+00 (-1/4)Del**2(Rho)) -0.1087837E+00 Diamond 0.5698810E+00 Metallicity 0.3472493E+01 Ellipticity 0.1899186E-01 Gb(Abramov) 0.1354809E+00 Vb(Abramov) -0.1621781E+00 Hb(Abramov) -0.2669720E-01 Ex_ueg -0.3476749E-01 Ec_ueg -0.5389476E-02 Delta_ex -0.4287642E-01 Delta_ec 0.1276027E-01 Delta_et -0.1596553E+00 Pxc 0.6450996E+01 Qxc -0.3360149E+01 3,-1 81 3 -1 -2.063345 -3.168279 -0.761553 Rho 0.1214214E+00 |GRAD(Rho)| 0.3724879E-14 GRAD(Rho)x -0.1711698E-14 GRAD(Rho)y -0.3198532E-14 GRAD(Rho)z 0.8451085E-15 Laplacian 0.4749439E+00 (-1/4)Del**2(Rho)) -0.1187360E+00 Diamond 0.7766894E+00 Metallicity 0.4319791E+01 Ellipticity 0.9412847E-01 Gb(Abramov) 0.1646431E+00 Vb(Abramov) -0.2105502E+00 Hb(Abramov) -0.4590711E-01 Ex_ueg -0.4440637E-01 Ec_ueg -0.6640043E-02 Delta_ex -0.4885489E-01 Delta_ec 0.1338993E-01 Delta_et -0.1736434E+00 Pxc 0.6687662E+01 Qxc -0.3648629E+01 3,-1 82 3 +3 -1.121280 1.152610 -1.152343 Rho 0.5399298E-02 |GRAD(Rho)| 0.3987129E-17 GRAD(Rho)x 0.9875643E-18 GRAD(Rho)y -0.1885039E-17 GRAD(Rho)z -0.3371727E-17 Laplacian 0.2052304E-01 (-1/4)Del**2(Rho)) -0.5130760E-02 Diamond 0.1565204E-03 Metallicity 0.5579565E+00 Ellipticity -0.4267509E+00 Gb(Abramov) 0.3897630E-02 Vb(Abramov) -0.2664500E-02 Hb(Abramov) 0.1233130E-02 Ex_ueg -0.6995758E-03 Ec_ueg -0.1641365E-03 Delta_ex -0.7221047E-03 Delta_ec 0.8633729E-04 Delta_et -0.7041055E-03 Pxc 0.4262159E+01 Qxc -0.8363764E+01 3,+3 83 3 -1 -1.785750 1.732000 0.558896 Rho 0.4416136E-01 |GRAD(Rho)| 0.1827812E-15 GRAD(Rho)x 0.1329901E-15 GRAD(Rho)y -0.1153117E-15 GRAD(Rho)z 0.4925242E-16 Laplacian 0.1882062E+00 (-1/4)Del**2(Rho)) -0.4705155E-01 Diamond 0.8627218E-01 Metallicity 0.2020149E+01 Ellipticity 0.1998561E-01 Gb(Abramov) 0.4720955E-01 Vb(Abramov) -0.4736756E-01 Hb(Abramov) -0.1580034E-03 Ex_ueg -0.1152856E-01 Ec_ueg -0.2094772E-02 Delta_ex -0.1530613E-01 Delta_ec 0.6129115E-02 Delta_et -0.6264458E-01 Pxc 0.5503490E+01 Qxc -0.2497282E+01 3,-1 84 3 -1 -2.025595 0.885082 3.099107 Rho 0.1202585E+00 |GRAD(Rho)| 0.2167360E-15 GRAD(Rho)x 0.1363926E-15 GRAD(Rho)y 0.1593100E-15 GRAD(Rho)z 0.5469800E-16 Laplacian 0.4896241E+00 (-1/4)Del**2(Rho)) -0.1224060E+00 Diamond 0.7767019E+00 Metallicity 0.4123600E+01 Ellipticity 0.5617043E-02 Gb(Abramov) 0.1657296E+00 Vb(Abramov) -0.2090531E+00 Hb(Abramov) -0.4332356E-01 Ex_ueg -0.4384021E-01 Ec_ueg -0.6567804E-02 Delta_ex -0.5005313E-01 Delta_ec 0.1348119E-01 Delta_et -0.1739665E+00 Pxc 0.6675018E+01 Qxc -0.3712813E+01 3,-1 85 3 -1 0.087518 -2.033227 -1.149671 Rho 0.7480548E-02 |GRAD(Rho)| 0.1124714E-16 GRAD(Rho)x 0.4189287E-17 GRAD(Rho)y -0.1011120E-16 GRAD(Rho)z -0.2590688E-17 Laplacian 0.2880882E-01 (-1/4)Del**2(Rho)) -0.7202204E-02 Diamond 0.1335938E-02 Metallicity 0.6844002E+00 Ellipticity 0.4251257E+00 Gb(Abramov) 0.5623001E-02 Vb(Abramov) -0.4043798E-02 Hb(Abramov) 0.1579203E-02 Ex_ueg -0.1080512E-02 Ec_ueg -0.2551746E-03 Delta_ex -0.1649676E-02 Delta_ec 0.1081953E-02 Delta_et -0.6562330E-02 Pxc 0.4234403E+01 Qxc -0.1524721E+01 3,-1 86 3 +1 -1.741464 1.784988 -1.765445 Rho 0.1188789E-01 |GRAD(Rho)| 0.3581540E-13 GRAD(Rho)x 0.2250140E-13 GRAD(Rho)y -0.2432718E-14 GRAD(Rho)z -0.2775809E-13 Laplacian 0.5684350E-01 (-1/4)Del**2(Rho)) -0.1421088E-01 Diamond 0.2185853E-02 Metallicity 0.7506546E+00 Ellipticity -0.1277449E+01 Gb(Abramov) 0.1125183E-01 Vb(Abramov) -0.8292778E-02 Hb(Abramov) 0.2959049E-02 Ex_ueg -0.2003817E-02 Ec_ueg -0.4543960E-03 Delta_ex -0.2768841E-02 Delta_ec 0.7050476E-03 Delta_et -0.5299869E-02 Pxc 0.4409847E+01 Qxc -0.3927170E+01 3,+1 87 3 +3 -1.158243 -1.157668 1.162085 Rho 0.5099350E-02 |GRAD(Rho)| 0.1045725E-14 GRAD(Rho)x -0.3712611E-15 GRAD(Rho)y 0.7316372E-15 GRAD(Rho)z 0.6483921E-15 Laplacian 0.1892612E-01 (-1/4)Del**2(Rho)) -0.4731530E-02 Diamond 0.1321264E-03 Metallicity 0.5500594E+00 Ellipticity -0.3312385E+00 Gb(Abramov) 0.3588124E-02 Vb(Abramov) -0.2444718E-02 Hb(Abramov) 0.1143406E-02 Ex_ueg -0.6482435E-03 Ec_ueg -0.1511907E-03 Delta_ex -0.6541646E-03 Delta_ec 0.7747286E-04 Delta_et -0.6323993E-03 Pxc 0.4287587E+01 Qxc -0.8443790E+01 3,+3 88 3 -1 -1.893578 -2.827088 0.603903 Rho 0.9418700E-01 |GRAD(Rho)| 0.4957175E-14 GRAD(Rho)x 0.4298177E-14 GRAD(Rho)y 0.2417276E-14 GRAD(Rho)z 0.5059972E-15 Laplacian 0.4048801E+00 (-1/4)Del**2(Rho)) -0.1012200E+00 Diamond 0.4885579E+00 Metallicity 0.3318473E+01 Ellipticity 0.2416277E-01 Gb(Abramov) 0.1234627E+00 Vb(Abramov) -0.1457053E+00 Hb(Abramov) -0.2224265E-01 Ex_ueg -0.3164995E-01 Ec_ueg -0.4974287E-02 Delta_ex -0.3928509E-01 Delta_ec 0.1210415E-01 Delta_et -0.1492817E+00 Pxc 0.6362710E+01 Qxc -0.3245588E+01 3,-1 89 3 +1 0.409808 -0.856908 -1.872903 Rho 0.4902345E-02 |GRAD(Rho)| 0.2655703E-13 GRAD(Rho)x 0.6774564E-14 GRAD(Rho)y -0.2412210E-13 GRAD(Rho)z 0.8803720E-14 Laplacian 0.1869977E-01 (-1/4)Del**2(Rho)) -0.4674942E-02 Diamond 0.3778725E-03 Metallicity 0.5213348E+00 Ellipticity -0.2298262E+01 Gb(Abramov) 0.3522830E-02 Vb(Abramov) -0.2370717E-02 Hb(Abramov) 0.1152112E-02 Ex_ueg -0.6150686E-03 Ec_ueg -0.1427127E-03 Delta_ex -0.8815955E-03 Delta_ec 0.5091899E-03 Delta_et -0.2781265E-02 Pxc 0.4309837E+01 Qxc -0.1731369E+01 3,+1 90 3 -1 -1.837445 -1.744641 -0.556988 Rho 0.4944640E-01 |GRAD(Rho)| 0.1216378E-11 GRAD(Rho)x 0.8133634E-12 GRAD(Rho)y 0.8005070E-12 GRAD(Rho)z -0.4209549E-12 Laplacian 0.2081426E+00 (-1/4)Del**2(Rho)) -0.5203566E-01 Diamond 0.1119290E+00 Metallicity 0.2205345E+01 Ellipticity 0.1905629E-01 Gb(Abramov) 0.5381654E-01 Vb(Abramov) -0.5559742E-01 Hb(Abramov) -0.1780878E-02 Ex_ueg -0.1340390E-01 Ec_ueg -0.2384296E-02 Delta_ex -0.1743478E-01 Delta_ec 0.6827219E-02 Delta_et -0.7195439E-01 Pxc 0.5621745E+01 Qxc -0.2553717E+01 3,-1 91 3 +1 -0.675111 -1.715551 0.542105 Rho 0.7926649E-02 |GRAD(Rho)| 0.1556112E-16 GRAD(Rho)x 0.6921760E-17 GRAD(Rho)y 0.1367109E-16 GRAD(Rho)z -0.2709058E-17 Laplacian 0.2928191E-01 (-1/4)Del**2(Rho)) -0.7320477E-02 Diamond 0.7013405E-03 Metallicity 0.7415889E+00 Ellipticity -0.1473980E+01 Gb(Abramov) 0.5785115E-02 Vb(Abramov) -0.4249754E-02 Hb(Abramov) 0.1535362E-02 Ex_ueg -0.1167270E-02 Ec_ueg -0.2749540E-03 Delta_ex -0.1310528E-02 Delta_ec 0.4121200E-03 Delta_et -0.2758167E-02 Pxc 0.4245328E+01 Qxc -0.3179968E+01 3,+1 92 3 -1 -1.829155 2.817671 -0.558309 Rho 0.9458105E-01 |GRAD(Rho)| 0.3594955E-14 GRAD(Rho)x -0.2976555E-14 GRAD(Rho)y 0.7666529E-15 GRAD(Rho)z 0.1864421E-14 Laplacian 0.4084336E+00 (-1/4)Del**2(Rho)) -0.1021084E+00 Diamond 0.4956533E+00 Metallicity 0.3312571E+01 Ellipticity 0.1687789E-01 Gb(Abramov) 0.1244458E+00 Vb(Abramov) -0.1467832E+00 Hb(Abramov) -0.2233743E-01 Ex_ueg -0.3182662E-01 Ec_ueg -0.4997977E-02 Delta_ex -0.3967339E-01 Delta_ec 0.1221000E-01 Delta_et -0.1507324E+00 Pxc 0.6367901E+01 Qxc -0.3249253E+01 3,-1 93 3 -1 -2.046393 3.060870 0.879669 Rho 0.1140423E+00 |GRAD(Rho)| 0.2447420E-15 GRAD(Rho)x 0.1707822E-15 GRAD(Rho)y 0.1061027E-15 GRAD(Rho)z 0.1395504E-15 Laplacian 0.4657860E+00 (-1/4)Del**2(Rho)) -0.1164465E+00 Diamond 0.6922519E+00 Metallicity 0.3967678E+01 Ellipticity 0.2646363E-02 Gb(Abramov) 0.1546347E+00 Vb(Abramov) -0.1928229E+00 Hb(Abramov) -0.3818821E-01 Ex_ueg -0.4084506E-01 Ec_ueg -0.6183266E-02 Delta_ex -0.4700973E-01 Delta_ec 0.1295759E-01 Delta_et -0.1655588E+00 Pxc 0.6605742E+01 Qxc -0.3627969E+01 3,-1 94 3 +1 0.340339 -1.395584 -1.848970 Rho 0.4831710E-02 |GRAD(Rho)| 0.3840633E-17 GRAD(Rho)x -0.1492906E-17 GRAD(Rho)y -0.2876518E-17 GRAD(Rho)z 0.2060907E-17 Laplacian 0.1849773E-01 (-1/4)Del**2(Rho)) -0.4624432E-02 Diamond 0.3500302E-03 Metallicity 0.5144337E+00 Ellipticity -0.1968486E+01 Gb(Abramov) 0.3479449E-02 Vb(Abramov) -0.2334465E-02 Hb(Abramov) 0.1144983E-02 Ex_ueg -0.6032808E-03 Ec_ueg -0.1396778E-03 Delta_ex -0.8534512E-03 Delta_ec 0.4750005E-03 Delta_et -0.2596866E-02 Pxc 0.4319089E+01 Qxc -0.1796738E+01 3,+1 95 3 +1 0.059687 -3.038831 0.038636 Rho 0.3827344E-02 |GRAD(Rho)| 0.3694609E-17 GRAD(Rho)x -0.1159821E-17 GRAD(Rho)y 0.3714963E-18 GRAD(Rho)z -0.3488115E-17 Laplacian 0.1498384E-01 (-1/4)Del**2(Rho)) -0.3745961E-02 Diamond 0.2131645E-03 Metallicity 0.4306777E+00 Ellipticity -0.1711650E+01 Gb(Abramov) 0.2766191E-02 Vb(Abramov) -0.1786421E-02 Hb(Abramov) 0.9797700E-03 Ex_ueg -0.4421623E-03 Ec_ueg -0.9680302E-04 Delta_ex -0.6673523E-03 Delta_ec 0.3987455E-03 Delta_et -0.2028224E-02 Pxc 0.4567650E+01 Qxc -0.1673630E+01 3,+1 96 3 +1 -0.220296 -0.418787 -3.194429 Rho 0.2908726E-02 |GRAD(Rho)| 0.2087444E-14 GRAD(Rho)x -0.1919627E-14 GRAD(Rho)y -0.6594528E-15 GRAD(Rho)z -0.4874168E-15 Laplacian 0.1118547E-01 (-1/4)Del**2(Rho)) -0.2796369E-02 Diamond 0.1037398E-03 Metallicity 0.3651434E+00 Ellipticity -0.1452345E+01 Gb(Abramov) 0.2034425E-02 Vb(Abramov) -0.1272481E-02 Hb(Abramov) 0.7619437E-03 Ex_ueg -0.3066588E-03 Ec_ueg -0.5805760E-04 Delta_ex -0.4604128E-03 Delta_ec 0.2759841E-03 Delta_et -0.1304259E-02 Pxc 0.5281976E+01 Qxc -0.1668258E+01 3,+1 97 3 -1 -1.775517 0.549633 1.770310 Rho 0.4231907E-01 |GRAD(Rho)| 0.3441602E-16 GRAD(Rho)x 0.1230527E-16 GRAD(Rho)y 0.1537068E-16 GRAD(Rho)z -0.2822737E-16 Laplacian 0.1793774E+00 (-1/4)Del**2(Rho)) -0.4484436E-01 Diamond 0.7754435E-01 Metallicity 0.1974265E+01 Ellipticity 0.1709981E-01 Gb(Abramov) 0.4465202E-01 Vb(Abramov) -0.4445967E-01 Hb(Abramov) 0.1923441E-03 Ex_ueg -0.1089180E-01 Ec_ueg -0.1994920E-02 Delta_ex -0.1443385E-01 Delta_ec 0.5837581E-02 Delta_et -0.5897524E-01 Pxc 0.5459770E+01 Qxc -0.2472574E+01 3,-1 98 3 +3 -0.019798 0.024089 2.319424 Rho 0.4418013E-02 |GRAD(Rho)| 0.2145133E-17 GRAD(Rho)x -0.5524785E-18 GRAD(Rho)y -0.1705060E-17 GRAD(Rho)z 0.1178616E-17 Laplacian 0.1796538E-01 (-1/4)Del**2(Rho)) -0.4491346E-02 Diamond 0.1390650E-03 Metallicity 0.4562697E+00 Ellipticity -0.3549722E+00 Gb(Abramov) 0.3335775E-02 Vb(Abramov) -0.2180204E-02 Hb(Abramov) 0.1155571E-02 Ex_ueg -0.5354115E-03 Ec_ueg -0.1219541E-03 Delta_ex -0.6361163E-03 Delta_ec 0.1439506E-03 Delta_et -0.9257416E-03 Pxc 0.4390269E+01 Qxc -0.4418991E+01 3,+3 99 3 -1 -1.856600 0.547145 -2.845101 Rho 0.1078229E+00 |GRAD(Rho)| 0.1508733E-15 GRAD(Rho)x -0.1001464E-15 GRAD(Rho)y -0.1070446E-15 GRAD(Rho)z -0.3570583E-16 Laplacian 0.4409448E+00 (-1/4)Del**2(Rho)) -0.1102362E+00 Diamond 0.6058398E+00 Metallicity 0.3817220E+01 Ellipticity 0.1132925E-01 Gb(Abramov) 0.1436234E+00 Vb(Abramov) -0.1770107E+00 Hb(Abramov) -0.3338725E-01 Ex_ueg -0.3790237E-01 Ec_ueg -0.5801324E-02 Delta_ex -0.4381741E-01 Delta_ec 0.1223722E-01 Delta_et -0.1544491E+00 Pxc 0.6533400E+01 Qxc -0.3580666E+01 3,-1 100 3 +1 -1.332320 1.177065 2.239193 Rho 0.2485905E-01 |GRAD(Rho)| 0.1550561E-13 GRAD(Rho)x -0.1111525E-13 GRAD(Rho)y -0.5889123E-14 GRAD(Rho)z 0.9066062E-14 Laplacian 0.9189350E-01 (-1/4)Del**2(Rho)) -0.2297337E-01 Diamond 0.1242469E-01 Metallicity 0.1587825E+01 Ellipticity -0.8456643E+01 Gb(Abramov) 0.2139520E-01 Vb(Abramov) -0.1981702E-01 Hb(Abramov) 0.1578175E-02 Ex_ueg -0.5358351E-02 Ec_ueg -0.1081620E-02 Delta_ex -0.5761283E-02 Delta_ec 0.1656896E-02 Delta_et -0.1458251E-01 Pxc 0.4954004E+01 Qxc -0.3477153E+01 3,+1 101 3 +1 -0.207644 -2.330548 -1.165827 Rho 0.7045920E-02 |GRAD(Rho)| 0.1008048E-16 GRAD(Rho)x 0.9015792E-17 GRAD(Rho)y -0.1253704E-17 GRAD(Rho)z 0.4331253E-17 Laplacian 0.2738089E-01 (-1/4)Del**2(Rho)) -0.6845224E-02 Diamond 0.7728644E-03 Metallicity 0.6517209E+00 Ellipticity -0.1900881E+01 Gb(Abramov) 0.5307012E-02 Vb(Abramov) -0.3768800E-02 Hb(Abramov) 0.1538212E-02 Ex_ueg -0.9976280E-03 Ec_ueg -0.2359924E-03 Delta_ex -0.1315767E-02 Delta_ec 0.6100713E-03 Delta_et -0.3767790E-02 Pxc 0.4227374E+01 Qxc -0.2156744E+01 3,+1 102 3 +3 -0.060176 -2.477593 -0.091661 Rho 0.3402849E-02 |GRAD(Rho)| 0.1064524E-12 GRAD(Rho)x -0.5452250E-13 GRAD(Rho)y -0.6918865E-13 GRAD(Rho)z -0.5976911E-13 Laplacian 0.1330302E-01 (-1/4)Del**2(Rho)) -0.3325755E-02 Diamond 0.8034126E-04 Metallicity 0.3987806E+00 Ellipticity -0.1396020E+00 Gb(Abramov) 0.2438211E-02 Vb(Abramov) -0.1550667E-02 Hb(Abramov) 0.8875439E-03 Ex_ueg -0.3780146E-03 Ec_ueg -0.7884196E-04 Delta_ex -0.4530201E-03 Delta_ec 0.1289383E-03 Delta_et -0.7437130E-03 Pxc 0.4794587E+01 Qxc -0.3513465E+01 3,+3 103 3 +1 1.662186 0.509787 0.511214 Rho 0.7196852E-02 |GRAD(Rho)| 0.1023697E-12 GRAD(Rho)x -0.1226056E-13 GRAD(Rho)y -0.9338446E-13 GRAD(Rho)z -0.4010701E-13 Laplacian 0.2804380E-01 (-1/4)Del**2(Rho)) -0.7010950E-02 Diamond 0.5934029E-03 Metallicity 0.6591949E+00 Ellipticity -0.1385736E+01 Gb(Abramov) 0.5444231E-02 Vb(Abramov) -0.3877511E-02 Hb(Abramov) 0.1566720E-02 Ex_ueg -0.1026223E-02 Ec_ueg -0.2426437E-03 Delta_ex -0.1227686E-02 Delta_ec 0.3992043E-03 Delta_et -0.2601805E-02 Pxc 0.4229341E+01 Qxc -0.3075332E+01 3,+1 104 3 -1 -0.884687 2.038346 3.084170 Rho 0.1322939E+00 |GRAD(Rho)| 0.7576745E-13 GRAD(Rho)x 0.4313542E-13 GRAD(Rho)y 0.4784824E-13 GRAD(Rho)z -0.3988217E-13 Laplacian 0.5313531E+00 (-1/4)Del**2(Rho)) -0.1328383E+00 Diamond 0.9451706E+00 Metallicity 0.4454472E+01 Ellipticity 0.1358397E-01 Gb(Abramov) 0.1871796E+00 Vb(Abramov) -0.2415209E+00 Hb(Abramov) -0.5434131E-01 Ex_ueg -0.4978572E-01 Ec_ueg -0.7319895E-02 Delta_ex -0.5556779E-01 Delta_ec 0.1430504E-01 Delta_et -0.1876570E+00 Pxc 0.6801425E+01 Qxc -0.3884491E+01 3,-1 105 3 -1 -0.221968 -1.241515 -3.489392 Rho 0.4439903E-02 |GRAD(Rho)| 0.3556734E-17 GRAD(Rho)x 0.3134809E-17 GRAD(Rho)y 0.5589844E-18 GRAD(Rho)z 0.1584571E-17 Laplacian 0.1612514E-01 (-1/4)Del**2(Rho)) -0.4031285E-02 Diamond 0.4829042E-03 Metallicity 0.5125451E+00 Ellipticity 0.6635457E-01 Gb(Abramov) 0.3031893E-02 Vb(Abramov) -0.2032500E-02 Hb(Abramov) 0.9993925E-03 Ex_ueg -0.5389515E-03 Ec_ueg -0.1228897E-03 Delta_ex -0.9603510E-03 Delta_ec 0.8231245E-03 Delta_et -0.4184440E-02 Pxc 0.4385651E+01 Qxc -0.1166714E+01 3,-1 106 3 +1 0.501044 1.661517 0.508164 Rho 0.7807849E-02 |GRAD(Rho)| 0.3761414E-14 GRAD(Rho)x -0.1806615E-14 GRAD(Rho)y -0.2716812E-14 GRAD(Rho)z -0.1871713E-14 Laplacian 0.3034637E-01 (-1/4)Del**2(Rho)) -0.7586593E-02 Diamond 0.7208009E-03 Metallicity 0.6977910E+00 Ellipticity -0.1425086E+01 Gb(Abramov) 0.5940038E-02 Vb(Abramov) -0.4293483E-02 Hb(Abramov) 0.1646555E-02 Ex_ueg -0.1144002E-02 Ec_ueg -0.2696777E-03 Delta_ex -0.1357516E-02 Delta_ec 0.4351109E-03 Delta_et -0.2893999E-02 Pxc 0.4242110E+01 Qxc -0.3119930E+01 3,+1 107 3 -1 -0.564534 -1.829561 2.820993 Rho 0.1624315E+00 |GRAD(Rho)| 0.2926647E-15 GRAD(Rho)x -0.1655306E-15 GRAD(Rho)y 0.2398526E-15 GRAD(Rho)z -0.2688821E-16 Laplacian 0.6636647E+00 (-1/4)Del**2(Rho)) -0.1659162E+00 Diamond 0.1465381E+01 Metallicity 0.5020900E+01 Ellipticity 0.1263373E-01 Gb(Abramov) 0.2494522E+00 Vb(Abramov) -0.3329882E+00 Hb(Abramov) -0.8353602E-01 Ex_ueg -0.6545539E-01 Ec_ueg -0.9244001E-02 Delta_ex -0.7255765E-01 Delta_ec 0.1627319E-01 Delta_et -0.2183194E+00 Pxc 0.7080850E+01 Qxc -0.4458723E+01 3,-1 108 3 +1 -0.318831 -1.104338 -2.714969 Rho 0.3087042E-02 |GRAD(Rho)| 0.7140639E-16 GRAD(Rho)x -0.5468507E-16 GRAD(Rho)y -0.6102576E-19 GRAD(Rho)z 0.4591745E-16 Laplacian 0.1192217E-01 (-1/4)Del**2(Rho)) -0.2980544E-02 Diamond 0.1029161E-03 Metallicity 0.3782932E+00 Ellipticity -0.1327065E+01 Gb(Abramov) 0.2174949E-02 Vb(Abramov) -0.1369354E-02 Hb(Abramov) 0.8055946E-03 Ex_ueg -0.3319773E-03 Ec_ueg -0.6554273E-04 Delta_ex -0.4666846E-03 Delta_ec 0.2410347E-03 Delta_et -0.1187491E-02 Pxc 0.5065051E+01 Qxc -0.1936172E+01 3,+1 109 3 +1 0.492185 0.515964 1.691677 Rho 0.7651748E-02 |GRAD(Rho)| 0.9157567E-15 GRAD(Rho)x 0.4732080E-15 GRAD(Rho)y -0.7554989E-15 GRAD(Rho)z -0.2095377E-15 Laplacian 0.2998192E-01 (-1/4)Del**2(Rho)) -0.7495480E-02 Diamond 0.6926141E-03 Metallicity 0.6828964E+00 Ellipticity -0.1408057E+01 Gb(Abramov) 0.5850093E-02 Vb(Abramov) -0.4204705E-02 Hb(Abramov) 0.1645387E-02 Ex_ueg -0.1113609E-02 Ec_ueg -0.2627545E-03 Delta_ex -0.1334341E-02 Delta_ec 0.4296690E-03 Delta_et -0.2843009E-02 Pxc 0.4238209E+01 Qxc -0.3105510E+01 3,+1 110 3 +3 -0.230888 -0.493563 -2.737430 Rho 0.2727096E-02 |GRAD(Rho)| 0.5838016E-17 GRAD(Rho)x 0.3092809E-17 GRAD(Rho)y -0.4810720E-17 GRAD(Rho)z 0.1172148E-17 Laplacian 0.1074961E-01 (-1/4)Del**2(Rho)) -0.2687403E-02 Diamond 0.6607641E-04 Metallicity 0.3412357E+00 Ellipticity -0.5755013E+00 Gb(Abramov) 0.1944442E-02 Vb(Abramov) -0.1201480E-02 Hb(Abramov) 0.7429614E-03 Ex_ueg -0.2813967E-03 Ec_ueg -0.5045136E-04 Delta_ex -0.3841739E-03 Delta_ec 0.1708848E-03 Delta_et -0.8422160E-03 Pxc 0.5577584E+01 Qxc -0.2248145E+01 3,+3 111 3 +1 -0.595433 -0.527877 1.696704 Rho 0.8282257E-02 |GRAD(Rho)| 0.1402735E-16 GRAD(Rho)x -0.5865465E-17 GRAD(Rho)y 0.1182273E-16 GRAD(Rho)z -0.4752477E-17 Laplacian 0.3188632E-01 (-1/4)Del**2(Rho)) -0.7971579E-02 Diamond 0.8014085E-03 Metallicity 0.7326952E+00 Ellipticity -0.1430095E+01 Gb(Abramov) 0.6287842E-02 Vb(Abramov) -0.4604106E-02 Hb(Abramov) 0.1683737E-02 Ex_ueg -0.1237609E-02 Ec_ueg -0.2907859E-03 Delta_ex -0.1438519E-02 Delta_ec 0.4408731E-03 Delta_et -0.2990709E-02 Pxc 0.4256082E+01 Qxc -0.3262886E+01 3,+1 112 3 -1 -0.894662 3.090765 2.020437 Rho 0.1372162E+00 |GRAD(Rho)| 0.1191720E-13 GRAD(Rho)x -0.7977017E-16 GRAD(Rho)y 0.3437585E-14 GRAD(Rho)z -0.1141036E-13 Laplacian 0.5491338E+00 (-1/4)Del**2(Rho)) -0.1372835E+00 Diamond 0.1019325E+01 Metallicity 0.4580825E+01 Ellipticity 0.1922796E-01 Gb(Abramov) 0.1963342E+00 Vb(Abramov) -0.2553850E+00 Hb(Abramov) -0.5905077E-01 Ex_ueg -0.5227075E-01 Ec_ueg -0.7630256E-02 Delta_ex -0.5792000E-01 Delta_ec 0.1462970E-01 Delta_et -0.1930106E+00 Pxc 0.6850458E+01 Qxc -0.3959071E+01 3,-1 113 3 -1 -0.575137 1.758804 1.752591 Rho 0.4277321E-01 |GRAD(Rho)| 0.1843107E-15 GRAD(Rho)x -0.6908549E-16 GRAD(Rho)y -0.1067101E-15 GRAD(Rho)z -0.1334564E-15 Laplacian 0.1836175E+00 (-1/4)Del**2(Rho)) -0.4590438E-01 Diamond 0.8093963E-01 Metallicity 0.1963294E+01 Ellipticity 0.1946096E-01 Gb(Abramov) 0.4562355E-01 Vb(Abramov) -0.4534273E-01 Hb(Abramov) 0.2808243E-03 Ex_ueg -0.1104793E-01 Ec_ueg -0.2019481E-02 Delta_ex -0.1483500E-01 Delta_ec 0.6013397E-02 Delta_et -0.6093439E-01 Pxc 0.5470678E+01 Qxc -0.2466992E+01 3,-1 114 3 +1 1.676105 -0.571088 -0.547375 Rho 0.7406263E-02 |GRAD(Rho)| 0.8290553E-14 GRAD(Rho)x -0.1923676E-14 GRAD(Rho)y 0.6815722E-14 GRAD(Rho)z -0.4310299E-14 Laplacian 0.2853055E-01 (-1/4)Del**2(Rho)) -0.7132638E-02 Diamond 0.6168551E-03 Metallicity 0.6796754E+00 Ellipticity -0.1390416E+01 Gb(Abramov) 0.5563072E-02 Vb(Abramov) -0.3993506E-02 Hb(Abramov) 0.1569566E-02 Ex_ueg -0.1066229E-02 Ec_ueg -0.2518898E-03 Delta_ex -0.1251970E-02 Delta_ec 0.3954763E-03 Delta_et -0.2605759E-02 Pxc 0.4232919E+01 Qxc -0.3165727E+01 3,+1 115 3 -1 -0.597173 -0.513283 -0.514068 Rho 0.1882766E+00 |GRAD(Rho)| 0.7618099E-14 GRAD(Rho)x -0.4458239E-14 GRAD(Rho)y -0.4374973E-14 GRAD(Rho)z -0.4361095E-14 Laplacian 0.5003278E+00 (-1/4)Del**2(Rho)) -0.1250819E+00 Diamond 0.1335963E+01 Metallicity 0.8518291E+01 Ellipticity 0.2141697E-01 Gb(Abramov) 0.2609687E+00 Vb(Abramov) -0.3968554E+00 Hb(Abramov) -0.1358868E+00 Ex_ueg -0.7969790E-01 Ec_ueg -0.1093734E-01 Delta_ex -0.5689329E-01 Delta_ec 0.1202324E-01 Delta_et -0.1645714E+00 Pxc 0.7286772E+01 Qxc -0.4731944E+01 3,-1 116 3 +1 0.446138 -1.769887 -0.695258 Rho 0.6336792E-02 |GRAD(Rho)| 0.2342403E-16 GRAD(Rho)x 0.1497193E-16 GRAD(Rho)y -0.1733028E-16 GRAD(Rho)z -0.4918097E-17 Laplacian 0.2385492E-01 (-1/4)Del**2(Rho)) -0.5963731E-02 Diamond 0.5157200E-03 Metallicity 0.6268316E+00 Ellipticity -0.1619655E+01 Gb(Abramov) 0.4598863E-02 Vb(Abramov) -0.3233995E-02 Hb(Abramov) 0.1364868E-02 Ex_ueg -0.8660527E-03 Ec_ueg -0.2048864E-03 Delta_ex -0.1073665E-02 Delta_ec 0.4496706E-03 Delta_et -0.2739529E-02 Pxc 0.4226990E+01 Qxc -0.2387669E+01 3,+1 117 3 -1 -0.549126 0.452752 0.458170 Rho 0.1779541E+00 |GRAD(Rho)| 0.9625962E-13 GRAD(Rho)x 0.5132353E-13 GRAD(Rho)y -0.5799528E-13 GRAD(Rho)z -0.5716955E-13 Laplacian 0.4653900E+00 (-1/4)Del**2(Rho)) -0.1163475E+00 Diamond 0.1175367E+01 Metallicity 0.8336356E+01 Ellipticity 0.4316310E-02 Gb(Abramov) 0.2392174E+00 Vb(Abramov) -0.3620873E+00 Hb(Abramov) -0.1228699E+00 Ex_ueg -0.7392577E-01 Ec_ueg -0.1025640E-01 Delta_ex -0.5228532E-01 Delta_ec 0.1155075E-01 Delta_et -0.1577711E+00 Pxc 0.7207771E+01 Qxc -0.4526573E+01 3,-1 118 3 -1 0.024041 -3.342594 -1.311594 Rho 0.3028174E-01 |GRAD(Rho)| 0.3031084E-16 GRAD(Rho)x 0.2789853E-16 GRAD(Rho)y 0.1178229E-16 GRAD(Rho)z 0.1263666E-17 Laplacian 0.9259120E-01 (-1/4)Del**2(Rho)) -0.2314780E-01 Diamond 0.3587529E-01 Metallicity 0.2189499E+01 Ellipticity 0.2006923E-01 Gb(Abramov) 0.2387888E-01 Vb(Abramov) -0.2460996E-01 Hb(Abramov) -0.7310811E-03 Ex_ueg -0.6970963E-02 Ec_ueg -0.1358149E-02 Delta_ex -0.7754209E-02 Delta_ec 0.4590630E-02 Delta_et -0.4218874E-01 Pxc 0.5132695E+01 Qxc -0.1689138E+01 3,-1 119 3 +3 0.953398 -1.165774 -1.289779 Rho 0.3919845E-02 |GRAD(Rho)| 0.1406289E-16 GRAD(Rho)x 0.7668116E-17 GRAD(Rho)y -0.7806252E-18 GRAD(Rho)z -0.1176246E-16 Laplacian 0.1499613E-01 (-1/4)Del**2(Rho)) -0.3749032E-02 Diamond 0.1044489E-03 Metallicity 0.4477980E+00 Ellipticity -0.6052240E+00 Gb(Abramov) 0.2779156E-02 Vb(Abramov) -0.1809280E-02 Hb(Abramov) 0.9698757E-03 Ex_ueg -0.4564678E-03 Ec_ueg -0.1007296E-03 Delta_ex -0.5222365E-03 Delta_ec 0.1333881E-03 Delta_et -0.8129151E-03 Pxc 0.4531615E+01 Qxc -0.3915165E+01 3,+3 120 3 -1 -0.563384 2.802490 -1.807041 Rho 0.1697745E+00 |GRAD(Rho)| 0.4040154E-14 GRAD(Rho)x 0.2370310E-14 GRAD(Rho)y -0.8364078E-15 GRAD(Rho)z -0.3163051E-14 Laplacian 0.6949961E+00 (-1/4)Del**2(Rho)) -0.1737490E+00 Diamond 0.1613673E+01 Metallicity 0.5161212E+01 Ellipticity 0.1361739E-01 Gb(Abramov) 0.2652920E+00 Vb(Abramov) -0.3568349E+00 Hb(Abramov) -0.9154292E-01 Ex_ueg -0.6943021E-01 Ec_ueg -0.9721164E-02 Delta_ex -0.7678827E-01 Delta_ec 0.1677912E-01 Delta_et -0.2260799E+00 Pxc 0.7142170E+01 Qxc -0.4576418E+01 3,-1 121 3 -1 -0.592194 1.803872 -2.790895 Rho 0.1617868E+00 |GRAD(Rho)| 0.3452335E-15 GRAD(Rho)x -0.2438642E-15 GRAD(Rho)y -0.2306911E-15 GRAD(Rho)z -0.8061043E-16 Laplacian 0.6773098E+00 (-1/4)Del**2(Rho)) -0.1693275E+00 Diamond 0.1485796E+01 Metallicity 0.4887248E+01 Ellipticity 0.2587252E-01 Gb(Abramov) 0.2508092E+00 Vb(Abramov) -0.3322909E+00 Hb(Abramov) -0.8148174E-01 Ex_ueg -0.6510924E-01 Ec_ueg -0.9202262E-02 Delta_ex -0.7395285E-01 Delta_ec 0.1658307E-01 Delta_et -0.2222608E+00 Pxc 0.7075352E+01 Qxc -0.4459539E+01 3,-1 122 3 +3 2.279716 -0.015527 -0.004195 Rho 0.4118804E-02 |GRAD(Rho)| 0.3804704E-17 GRAD(Rho)x -0.1551027E-17 GRAD(Rho)y -0.3073171E-17 GRAD(Rho)z -0.1620403E-17 Laplacian 0.1670248E-01 (-1/4)Del**2(Rho)) -0.4175620E-02 Diamond 0.1142638E-03 Metallicity 0.4366338E+00 Ellipticity -0.2666550E+00 Gb(Abramov) 0.3087616E-02 Vb(Abramov) -0.1999612E-02 Hb(Abramov) 0.1088004E-02 Ex_ueg -0.4876181E-03 Ec_ueg -0.1091907E-03 Delta_ex -0.5768169E-03 Delta_ec 0.1267857E-03 Delta_et -0.8136263E-03 Pxc 0.4465749E+01 Qxc -0.4549544E+01 3,+3 123 3 +1 -0.202293 2.996492 0.211417 Rho 0.5350654E-02 |GRAD(Rho)| 0.5059723E-17 GRAD(Rho)x 0.4763598E-17 GRAD(Rho)y -0.2936629E-18 GRAD(Rho)z -0.1680088E-17 Laplacian 0.2100383E-01 (-1/4)Del**2(Rho)) -0.5250956E-02 Diamond 0.4453470E-03 Metallicity 0.5370230E+00 Ellipticity -0.1918733E+01 Gb(Abramov) 0.3970618E-02 Vb(Abramov) -0.2690280E-02 Hb(Abramov) 0.1280338E-02 Ex_ueg -0.6911849E-03 Ec_ueg -0.1620339E-03 Delta_ex -0.9807378E-03 Delta_ec 0.5232609E-03 Delta_et -0.2955540E-02 Pxc 0.4265679E+01 Qxc -0.1874281E+01 3,+1 124 3 -1 0.469972 -1.757027 1.710405 Rho 0.4718366E-01 |GRAD(Rho)| 0.2985062E-16 GRAD(Rho)x 0.2584700E-16 GRAD(Rho)y -0.1299349E-16 GRAD(Rho)z -0.7359446E-17 Laplacian 0.1850299E+00 (-1/4)Del**2(Rho)) -0.4625747E-01 Diamond 0.8589722E-01 Metallicity 0.2294514E+01 Ellipticity 0.2712781E-01 Gb(Abramov) 0.4852804E-01 Vb(Abramov) -0.5079862E-01 Hb(Abramov) -0.2270575E-02 Ex_ueg -0.1259236E-01 Ec_ueg -0.2259798E-02 Delta_ex -0.1497320E-01 Delta_ec 0.5449792E-02 Delta_et -0.5658418E-01 Pxc 0.5572338E+01 Qxc -0.2747482E+01 3,-1 125 3 +3 1.930327 -1.946888 1.897343 Rho 0.1175939E-01 |GRAD(Rho)| 0.1128209E-16 GRAD(Rho)x -0.7032835E-17 GRAD(Rho)y 0.3249700E-18 GRAD(Rho)z -0.8815854E-17 Laplacian 0.5228443E-01 (-1/4)Del**2(Rho)) -0.1307111E-01 Diamond 0.1192557E-02 Metallicity 0.8014608E+00 Ellipticity -0.8343308E+00 Gb(Abramov) 0.1046007E-01 Vb(Abramov) -0.7849029E-02 Hb(Abramov) 0.2611039E-02 Ex_ueg -0.1974990E-02 Ec_ueg -0.4484731E-03 Delta_ex -0.2305426E-02 Delta_ec 0.2306904E-03 Delta_et -0.2069153E-02 Pxc 0.4403809E+01 Qxc -0.9993593E+01 3,+3 126 3 -1 -0.064133 3.181761 -3.201755 Rho 0.2272197E+00 |GRAD(Rho)| 0.2483101E-10 GRAD(Rho)x 0.3354993E-11 GRAD(Rho)y -0.1727662E-10 GRAD(Rho)z 0.1751688E-10 Laplacian 0.8448476E+00 (-1/4)Del**2(Rho)) -0.2112119E+00 Diamond 0.2793745E+01 Metallicity 0.6900992E+01 Ellipticity 0.2604249E-02 Gb(Abramov) 0.3837365E+00 Vb(Abramov) -0.5562612E+00 Hb(Abramov) -0.1725246E+00 Ex_ueg -0.1024031E+00 Ec_ueg -0.1356013E-01 Delta_ex -0.1006089E+00 Delta_ec 0.1892569E-01 Delta_et -0.2614015E+00 Pxc 0.7551781E+01 Qxc -0.5315995E+01 3,-1 127 3 -1 0.066322 3.279113 3.246146 Rho 0.2018958E+00 |GRAD(Rho)| 0.3500098E-15 GRAD(Rho)x -0.1177444E-15 GRAD(Rho)y -0.3063413E-15 GRAD(Rho)z -0.1216475E-15 Laplacian 0.7655905E+00 (-1/4)Del**2(Rho)) -0.1913976E+00 Diamond 0.2202887E+01 Metallicity 0.6254061E+01 Ellipticity 0.4419218E-03 Gb(Abramov) 0.3271005E+00 Vb(Abramov) -0.4628033E+00 Hb(Abramov) -0.1357029E+00 Ex_ueg -0.8747583E-01 Ec_ueg -0.1184498E-01 Delta_ex -0.8847905E-01 Delta_ec 0.1781082E-01 Delta_et -0.2444828E+00 Pxc 0.7385053E+01 Qxc -0.4967714E+01 3,-1 128 3 -1 0.283779 -1.082082 -1.977196 Rho 0.4973838E-02 |GRAD(Rho)| 0.3387275E-17 GRAD(Rho)x -0.3350560E-17 GRAD(Rho)y 0.3035529E-18 GRAD(Rho)z 0.3940037E-18 Laplacian 0.1888812E-01 (-1/4)Del**2(Rho)) -0.4722029E-02 Diamond 0.5004169E-03 Metallicity 0.5287422E+00 Ellipticity 0.5928901E+00 Gb(Abramov) 0.3564142E-02 Vb(Abramov) -0.2406255E-02 Hb(Abramov) 0.1157887E-02 Ex_ueg -0.6270574E-03 Ec_ueg -0.1457871E-03 Delta_ex -0.9970961E-03 Delta_ec 0.7000178E-03 Delta_et -0.3753124E-02 Pxc 0.4301185E+01 Qxc -0.1424387E+01 3,-1 129 3 -1 0.382215 0.424317 -0.510536 Rho 0.1753981E+00 |GRAD(Rho)| 0.1613573E-15 GRAD(Rho)x -0.6591949E-16 GRAD(Rho)y 0.1422473E-15 GRAD(Rho)z 0.3816392E-16 Laplacian 0.4467671E+00 (-1/4)Del**2(Rho)) -0.1116918E+00 Diamond 0.1119578E+01 Metallicity 0.8476956E+01 Ellipticity 0.8980360E-03 Gb(Abramov) 0.2322622E+00 Vb(Abramov) -0.3528327E+00 Hb(Abramov) -0.1205704E+00 Ex_ueg -0.7251337E-01 Ec_ueg -0.1008872E-01 Delta_ex -0.5009817E-01 Delta_ec 0.1128433E-01 Delta_et -0.1543099E+00 Pxc 0.7187566E+01 Qxc -0.4439624E+01 3,-1 130 3 -1 0.375821 -0.506864 0.434626 Rho 0.1760652E+00 |GRAD(Rho)| 0.4916168E-14 GRAD(Rho)x -0.2900458E-14 GRAD(Rho)y 0.2806783E-14 GRAD(Rho)z -0.2806783E-14 Laplacian 0.4520671E+00 (-1/4)Del**2(Rho)) -0.1130168E+00 Diamond 0.1135177E+01 Metallicity 0.8430746E+01 Ellipticity 0.1888028E-02 Gb(Abramov) 0.2341472E+00 Vb(Abramov) -0.3552775E+00 Hb(Abramov) -0.1211304E+00 Ex_ueg -0.7288134E-01 Ec_ueg -0.1013245E-01 Delta_ex -0.5071747E-01 Delta_ec 0.1136601E-01 Delta_et -0.1553830E+00 Pxc 0.7192865E+01 Qxc -0.4462206E+01 3,-1 131 3 +3 1.087889 1.067650 1.089488 Rho 0.4425150E-02 |GRAD(Rho)| 0.5155961E-17 GRAD(Rho)x -0.4415614E-17 GRAD(Rho)y -0.9280818E-18 GRAD(Rho)z -0.2494984E-17 Laplacian 0.1725753E-01 (-1/4)Del**2(Rho)) -0.4314382E-02 Diamond 0.1091140E-03 Metallicity 0.4762642E+00 Ellipticity -0.2008032E+00 Gb(Abramov) 0.3218719E-02 Vb(Abramov) -0.2123056E-02 Hb(Abramov) 0.1095663E-02 Ex_ueg -0.5365651E-03 Ec_ueg -0.1222592E-03 Delta_ex -0.5842460E-03 Delta_ec 0.8996053E-04 Delta_et -0.6564125E-03 Pxc 0.4388751E+01 Qxc -0.6494471E+01 3,+3 132 3 +1 1.387042 -2.197382 1.015373 Rho 0.2644324E-01 |GRAD(Rho)| 0.4493898E-16 GRAD(Rho)x -0.2937896E-16 GRAD(Rho)y 0.3321502E-16 GRAD(Rho)z -0.7290466E-17 Laplacian 0.1016375E+00 (-1/4)Del**2(Rho)) -0.2540936E-01 Diamond 0.1326932E-01 Metallicity 0.1591294E+01 Ellipticity -0.2929699E+01 Gb(Abramov) 0.2367854E-01 Vb(Abramov) -0.2194771E-01 Hb(Abramov) 0.1730825E-02 Ex_ueg -0.5818414E-02 Ec_ueg -0.1161650E-02 Delta_ex -0.6306925E-02 Delta_ec 0.1528275E-02 Delta_et -0.1371351E-01 Pxc 0.5008749E+01 Qxc -0.4126826E+01 3,+1 133 3 -1 0.483837 1.688444 -1.738211 Rho 0.5109773E-01 |GRAD(Rho)| 0.6730788E-13 GRAD(Rho)x -0.4937529E-13 GRAD(Rho)y 0.3937916E-13 GRAD(Rho)z 0.2327474E-13 Laplacian 0.2014811E+00 (-1/4)Del**2(Rho)) -0.5037028E-01 Diamond 0.1046805E+00 Metallicity 0.2406476E+01 Ellipticity 0.1560937E-01 Gb(Abramov) 0.5378267E-01 Vb(Abramov) -0.5719505E-01 Hb(Abramov) -0.3412384E-02 Ex_ueg -0.1400406E-01 Ec_ueg -0.2475642E-02 Delta_ex -0.1665381E-01 Delta_ec 0.5963775E-02 Delta_et -0.6323210E-01 Pxc 0.5656738E+01 Qxc -0.2792494E+01 3,-1 134 3 -1 0.855832 1.984235 -2.977394 Rho 0.1264203E+00 |GRAD(Rho)| 0.1065342E-15 GRAD(Rho)x -0.6045782E-16 GRAD(Rho)y 0.8260943E-16 GRAD(Rho)z 0.2949708E-16 Laplacian 0.5004324E+00 (-1/4)Del**2(Rho)) -0.1251081E+00 Diamond 0.8210963E+00 Metallicity 0.4384930E+01 Ellipticity 0.4762235E-01 Gb(Abramov) 0.1748371E+00 Vb(Abramov) -0.2245661E+00 Hb(Abramov) -0.4972901E-01 Ex_ueg -0.4686058E-01 Ec_ueg -0.6951637E-02 Delta_ex -0.5149557E-01 Delta_ec 0.1313050E-01 Delta_et -0.1700875E+00 Pxc 0.6740942E+01 Qxc -0.3921829E+01 3,-1 135 3 -1 0.814601 -3.027649 1.987128 Rho 0.1336783E+00 |GRAD(Rho)| 0.3840778E-15 GRAD(Rho)x 0.1521678E-15 GRAD(Rho)y -0.1376937E-16 GRAD(Rho)z -0.3523793E-15 Laplacian 0.5204373E+00 (-1/4)Del**2(Rho)) -0.1301093E+00 Diamond 0.9137830E+00 Metallicity 0.4627499E+01 Ellipticity 0.2275939E-01 Gb(Abramov) 0.1870863E+00 Vb(Abramov) -0.2440634E+00 Hb(Abramov) -0.5697701E-01 Ex_ueg -0.5048158E-01 Ec_ueg -0.7407027E-02 Delta_ex -0.5428820E-01 Delta_ec 0.1348673E-01 Delta_et -0.1763006E+00 Pxc 0.6815364E+01 Qxc -0.4025306E+01 3,-1 136 3 -1 2.005298 -0.866559 3.004324 Rho 0.1482569E+00 |GRAD(Rho)| 0.4281165E-15 GRAD(Rho)x -0.3526639E-15 GRAD(Rho)y -0.1771857E-15 GRAD(Rho)z 0.1658829E-15 Laplacian 0.5767776E+00 (-1/4)Del**2(Rho)) -0.1441944E+00 Diamond 0.1154122E+01 Metallicity 0.4961692E+01 Ellipticity 0.4276528E-01 Gb(Abramov) 0.2153710E+00 Vb(Abramov) -0.2865475E+00 Hb(Abramov) -0.7117656E-01 Ex_ueg -0.5795244E-01 Ec_ueg -0.8332026E-02 Delta_ex -0.6177885E-01 Delta_ec 0.1470514E-01 Delta_et -0.1954987E+00 Pxc 0.6955384E+01 Qxc -0.4201174E+01 3,-1 137 3 -1 0.845412 -2.016525 2.983128 Rho 0.1168738E+00 |GRAD(Rho)| 0.5384282E-13 GRAD(Rho)x -0.2435531E-13 GRAD(Rho)y -0.4295412E-13 GRAD(Rho)z 0.2146651E-13 Laplacian 0.4625861E+00 (-1/4)Del**2(Rho)) -0.1156465E+00 Diamond 0.6934533E+00 Metallicity 0.4161815E+01 Ellipticity 0.3109154E-01 Gb(Abramov) 0.1573143E+00 Vb(Abramov) -0.1989820E+00 Hb(Abramov) -0.4166773E-01 Ex_ueg -0.4220282E-01 Ec_ueg -0.6358089E-02 Delta_ex -0.4675425E-01 Delta_ec 0.1243382E-01 Delta_et -0.1590293E+00 Pxc 0.6637658E+01 Qxc -0.3760249E+01 3,-1 138 3 +1 1.778315 1.751381 1.773038 Rho 0.1195884E-01 |GRAD(Rho)| 0.1726796E-13 GRAD(Rho)x 0.5745819E-14 GRAD(Rho)y 0.9709950E-14 GRAD(Rho)z -0.1307230E-13 Laplacian 0.5847974E-01 (-1/4)Del**2(Rho)) -0.1461994E-01 Diamond 0.2286421E-02 Metallicity 0.7369238E+00 Ellipticity -0.1261564E+01 Gb(Abramov) 0.1154225E-01 Vb(Abramov) -0.8464572E-02 Hb(Abramov) 0.3077682E-02 Ex_ueg -0.2019778E-02 Ec_ueg -0.4576691E-03 Delta_ex -0.2858621E-02 Delta_ec 0.7352988E-03 Delta_et -0.5527181E-02 Pxc 0.4413184E+01 Qxc -0.3887700E+01 3,+1 139 3 -1 0.555273 1.826802 2.813330 Rho 0.1009931E+00 |GRAD(Rho)| 0.8462698E-14 GRAD(Rho)x -0.5669639E-14 GRAD(Rho)y 0.6208338E-14 GRAD(Rho)z -0.9638456E-15 Laplacian 0.4383622E+00 (-1/4)Del**2(Rho)) -0.1095905E+00 Diamond 0.5757663E+00 Metallicity 0.3442968E+01 Ellipticity 0.2019982E-01 Gb(Abramov) 0.1359465E+00 Vb(Abramov) -0.1623024E+00 Hb(Abramov) -0.2635594E-01 Ex_ueg -0.3473554E-01 Ec_ueg -0.5385250E-02 Delta_ex -0.4322364E-01 Delta_ec 0.1292121E-01 Delta_et -0.1617219E+00 Pxc 0.6450125E+01 Qxc -0.3345171E+01 3,-1 140 3 +3 -0.019919 2.296411 0.014800 Rho 0.4448723E-02 |GRAD(Rho)| 0.3486475E-17 GRAD(Rho)x 0.1028226E-17 GRAD(Rho)y -0.2372732E-17 GRAD(Rho)z 0.2338462E-17 Laplacian 0.1799225E-01 (-1/4)Del**2(Rho)) -0.4498063E-02 Diamond 0.1405607E-03 Metallicity 0.4608787E+00 Ellipticity -0.3587299E+00 Gb(Abramov) 0.3344219E-02 Vb(Abramov) -0.2190375E-02 Hb(Abramov) 0.1153844E-02 Ex_ueg -0.5403796E-03 Ec_ueg -0.1232668E-03 Delta_ex -0.6381829E-03 Delta_ec 0.1441092E-03 Delta_et -0.9283314E-03 Pxc 0.4383821E+01 Qxc -0.4428466E+01 3,+3 141 3 -1 0.846206 2.976992 -1.981988 Rho 0.1230342E+00 |GRAD(Rho)| 0.5034463E-14 GRAD(Rho)x -0.3931764E-14 GRAD(Rho)y -0.1532581E-14 GRAD(Rho)z -0.2745586E-14 Laplacian 0.4829813E+00 (-1/4)Del**2(Rho)) -0.1207453E+00 Diamond 0.7698940E+00 Metallicity 0.4342360E+01 Ellipticity 0.3788717E-01 Gb(Abramov) 0.1678835E+00 Vb(Abramov) -0.2150216E+00 Hb(Abramov) -0.4713816E-01 Ex_ueg -0.4519455E-01 Ec_ueg -0.6740385E-02 Delta_ex -0.4941410E-01 Delta_ec 0.1282098E-01 Delta_et -0.1654419E+00 Pxc 0.6705040E+01 Qxc -0.3854158E+01 3,-1 142 3 -1 0.557521 2.805951 1.812822 Rho 0.1090127E+00 |GRAD(Rho)| 0.2163401E-15 GRAD(Rho)x -0.1888003E-15 GRAD(Rho)y -0.1241750E-16 GRAD(Rho)z 0.1048966E-15 Laplacian 0.4718616E+00 (-1/4)Del**2(Rho)) -0.1179654E+00 Diamond 0.6769566E+00 Metallicity 0.3632956E+01 Ellipticity 0.1585048E-01 Gb(Abramov) 0.1500708E+00 Vb(Abramov) -0.1821762E+00 Hb(Abramov) -0.3210539E-01 Ex_ueg -0.3846104E-01 Ec_ueg -0.5874169E-02 Delta_ex -0.4731567E-01 Delta_ec 0.1360763E-01 Delta_et -0.1728640E+00 Pxc 0.6547487E+01 Qxc -0.3477142E+01 3,-1 143 3 +1 1.385912 1.021269 -2.184786 Rho 0.2793619E-01 |GRAD(Rho)| 0.4049318E-15 GRAD(Rho)x 0.2444099E-16 GRAD(Rho)y -0.3755905E-15 GRAD(Rho)z -0.1493457E-15 Laplacian 0.1098191E+00 (-1/4)Del**2(Rho)) -0.2745477E-01 Diamond 0.1665849E-01 Metallicity 0.1613915E+01 Ellipticity -0.4157591E+01 Gb(Abramov) 0.2568812E-01 Vb(Abramov) -0.2392148E-01 Hb(Abramov) 0.1766643E-02 Ex_ueg -0.6260485E-02 Ec_ueg -0.1237653E-02 Delta_ex -0.7029190E-02 Delta_ec 0.1850474E-02 Delta_et -0.1678195E-01 Pxc 0.5058351E+01 Qxc -0.3798589E+01 3,+1 144 3 +1 1.236340 -1.216966 2.157686 Rho 0.2641051E-01 |GRAD(Rho)| 0.4693657E-16 GRAD(Rho)x 0.9625156E-18 GRAD(Rho)y -0.3038604E-17 GRAD(Rho)z -0.4682822E-16 Laplacian 0.1063955E+00 (-1/4)Del**2(Rho)) -0.2659887E-01 Diamond 0.1645533E-01 Metallicity 0.1516997E+01 Ellipticity -0.7913392E+01 Gb(Abramov) 0.2445765E-01 Vb(Abramov) -0.2231643E-01 Hb(Abramov) 0.2141222E-02 Ex_ueg -0.5808815E-02 Ec_ueg -0.1159990E-02 Delta_ex -0.6861238E-02 Delta_ec 0.2066334E-02 Delta_et -0.1843524E-01 Pxc 0.5007641E+01 Qxc -0.3320489E+01 3,+1 145 3 +1 1.295061 2.143379 -1.152623 Rho 0.2635517E-01 |GRAD(Rho)| 0.1216468E-14 GRAD(Rho)x 0.8061835E-15 GRAD(Rho)y 0.8560515E-15 GRAD(Rho)z 0.3115095E-15 Laplacian 0.1033445E+00 (-1/4)Del**2(Rho)) -0.2583614E-01 Diamond 0.1500355E-01 Metallicity 0.1556331E+01 Ellipticity -0.4836979E+01 Gb(Abramov) 0.2392569E-01 Vb(Abramov) -0.2201524E-01 Hb(Abramov) 0.1910450E-02 Ex_ueg -0.5792589E-02 Ec_ueg -0.1157184E-02 Delta_ex -0.6566286E-02 Delta_ec 0.1838294E-02 Delta_et -0.1642055E-01 Pxc 0.5005764E+01 Qxc -0.3571946E+01 3,+1 146 3 -1 1.710634 0.467201 -1.795355 Rho 0.3894456E-01 |GRAD(Rho)| 0.5153174E-16 GRAD(Rho)x 0.3400858E-16 GRAD(Rho)y -0.9733785E-17 GRAD(Rho)z -0.3747253E-16 Laplacian 0.1503134E+00 (-1/4)Del**2(Rho)) -0.3757836E-01 Diamond 0.5327624E-01 Metallicity 0.2051288E+01 Ellipticity 0.3877366E-01 Gb(Abramov) 0.3789958E-01 Vb(Abramov) -0.3822080E-01 Hb(Abramov) -0.3212202E-03 Ex_ueg -0.9749465E-02 Ec_ueg -0.1813566E-02 Delta_ex -0.1156630E-01 Delta_ec 0.4382002E-02 Delta_et -0.4322603E-01 Pxc 0.5375855E+01 Qxc -0.2639502E+01 3,-1 147 3 +1 2.156758 1.038077 -1.402009 Rho 0.2456815E-01 |GRAD(Rho)| 0.2228756E-14 GRAD(Rho)x 0.1338057E-14 GRAD(Rho)y -0.8534862E-15 GRAD(Rho)z -0.1564775E-14 Laplacian 0.9423253E-01 (-1/4)Del**2(Rho)) -0.2355813E-01 Diamond 0.1170313E-01 Metallicity 0.1518331E+01 Ellipticity -0.3303825E+01 Gb(Abramov) 0.2166693E-01 Vb(Abramov) -0.1977573E-01 Hb(Abramov) 0.1891204E-02 Ex_ueg -0.5274910E-02 Ec_ueg -0.1066996E-02 Delta_ex -0.5796946E-02 Delta_ec 0.1533692E-02 Delta_et -0.1349649E-01 Pxc 0.4943702E+01 Qxc -0.3779733E+01 3,+1 148 3 -1 1.873882 -2.839209 -0.646737 Rho 0.1178907E+00 |GRAD(Rho)| 0.2594905E-15 GRAD(Rho)x -0.2663072E-16 GRAD(Rho)y 0.2028813E-16 GRAD(Rho)z -0.2573218E-15 Laplacian 0.4622396E+00 (-1/4)Del**2(Rho)) -0.1155599E+00 Diamond 0.7278883E+00 Metallicity 0.4225507E+01 Ellipticity 0.1064958E+00 Gb(Abramov) 0.1584231E+00 Vb(Abramov) -0.2012864E+00 Hb(Abramov) -0.4286322E-01 Ex_ueg -0.4269313E-01 Ec_ueg -0.6421012E-02 Delta_ex -0.4719600E-01 Delta_ec 0.1307867E-01 Delta_et -0.1686230E+00 Pxc 0.6648971E+01 Qxc -0.3608623E+01 3,-1 149 3 +1 2.028912 -2.044905 1.994767 Rho 0.1181701E-01 |GRAD(Rho)| 0.3855635E-14 GRAD(Rho)x -0.1041665E-15 GRAD(Rho)y 0.3395027E-14 GRAD(Rho)z -0.1824518E-14 Laplacian 0.5301973E-01 (-1/4)Del**2(Rho)) -0.1325493E-01 Diamond 0.1578661E-02 Metallicity 0.7968106E+00 Ellipticity -0.1110778E+01 Gb(Abramov) 0.1059690E-01 Vb(Abramov) -0.7938868E-02 Hb(Abramov) 0.2658032E-02 Ex_ueg -0.1987903E-02 Ec_ueg -0.4511282E-03 Delta_ex -0.2447681E-02 Delta_ec 0.4240673E-03 Delta_et -0.3372483E-02 Pxc 0.4406515E+01 Qxc -0.5771915E+01 3,+1 150 3 +1 2.056284 2.025626 -2.034659 Rho 0.1217306E-01 |GRAD(Rho)| 0.1604620E-16 GRAD(Rho)x -0.8484610E-17 GRAD(Rho)y 0.1361858E-16 GRAD(Rho)z 0.1623318E-18 Laplacian 0.5770700E-01 (-1/4)Del**2(Rho)) -0.1442675E-01 Diamond 0.1940541E-02 Metallicity 0.7692210E+00 Ellipticity -0.1144805E+01 Gb(Abramov) 0.1146739E-01 Vb(Abramov) -0.8508037E-02 Hb(Abramov) 0.2959357E-02 Ex_ueg -0.2068164E-02 Ec_ueg -0.4675641E-03 Delta_ex -0.2728885E-02 Delta_ec 0.5376282E-03 Delta_et -0.4206661E-02 Pxc 0.4423273E+01 Qxc -0.5075784E+01 3,+1 151 3 -1 1.711994 1.702973 -0.554546 Rho 0.3943841E-01 |GRAD(Rho)| 0.5224345E-16 GRAD(Rho)x -0.3820839E-16 GRAD(Rho)y -0.3557475E-16 GRAD(Rho)z -0.1983539E-17 Laplacian 0.1536818E+00 (-1/4)Del**2(Rho)) -0.3842046E-01 Diamond 0.5510833E-01 Metallicity 0.2048911E+01 Ellipticity 0.2931339E-01 Gb(Abramov) 0.3873365E-01 Vb(Abramov) -0.3904685E-01 Hb(Abramov) -0.3131949E-03 Ex_ueg -0.9914655E-02 Ec_ueg -0.1839977E-02 Delta_ex -0.1184464E-01 Delta_ec 0.4447792E-02 Delta_et -0.4402041E-01 Pxc 0.5388466E+01 Qxc -0.2663038E+01 3,-1 152 3 +1 1.926445 -1.767533 -1.847912 Rho 0.1397450E-01 |GRAD(Rho)| 0.1655524E-16 GRAD(Rho)x -0.7859577E-17 GRAD(Rho)y -0.7436044E-17 GRAD(Rho)z 0.1253030E-16 Laplacian 0.6359480E-01 (-1/4)Del**2(Rho)) -0.1589870E-01 Diamond 0.3218646E-02 Metallicity 0.8785203E+00 Ellipticity -0.1444907E+01 Gb(Abramov) 0.1292702E-01 Vb(Abramov) -0.9955343E-02 Hb(Abramov) 0.2971678E-02 Ex_ueg -0.2485993E-02 Ec_ueg -0.5514689E-03 Delta_ex -0.3273198E-02 Delta_ec 0.8581423E-03 Delta_et -0.6654094E-02 Pxc 0.4507947E+01 Qxc -0.3814283E+01 3,+1 153 3 -1 1.710579 -1.753982 0.508262 Rho 0.4051849E-01 |GRAD(Rho)| 0.7485830E-16 GRAD(Rho)x -0.5391704E-16 GRAD(Rho)y 0.4768541E-16 GRAD(Rho)z 0.2056257E-16 Laplacian 0.1700734E+00 (-1/4)Del**2(Rho)) -0.4251835E-01 Diamond 0.6934194E-01 Metallicity 0.1936714E+01 Ellipticity 0.1983303E-01 Gb(Abramov) 0.4206988E-01 Vb(Abramov) -0.4162141E-01 Hb(Abramov) 0.4484699E-03 Ex_ueg -0.1027833E-01 Ec_ueg -0.1897898E-02 Delta_ex -0.1354299E-01 Delta_ec 0.5539821E-02 Delta_et -0.5530500E-01 Pxc 0.5415642E+01 Qxc -0.2444663E+01 3,-1 154 3 +1 2.157337 -1.354484 1.093361 Rho 0.2431569E-01 |GRAD(Rho)| 0.2339459E-16 GRAD(Rho)x 0.2231637E-16 GRAD(Rho)y -0.6983115E-17 GRAD(Rho)z -0.7228351E-18 Laplacian 0.9163953E-01 (-1/4)Del**2(Rho)) -0.2290988E-01 Diamond 0.1152281E-01 Metallicity 0.1534645E+01 Ellipticity -0.4052279E+01 Gb(Abramov) 0.2113301E-01 Vb(Abramov) -0.1935614E-01 Hb(Abramov) 0.1776870E-02 Ex_ueg -0.5202761E-02 Ec_ueg -0.1054322E-02 Delta_ex -0.5655918E-02 Delta_ec 0.1552360E-02 Delta_et -0.1361074E-01 Pxc 0.4934697E+01 Qxc -0.3643433E+01 3,+1 155 3 -1 1.930360 -0.636548 -2.943889 Rho 0.2133812E+00 |GRAD(Rho)| 0.2505985E-13 GRAD(Rho)x -0.3247186E-14 GRAD(Rho)y 0.2431540E-13 GRAD(Rho)z -0.5119874E-14 Laplacian 0.8212831E+00 (-1/4)Del**2(Rho)) -0.2053208E+00 Diamond 0.2508391E+01 Metallicity 0.6393135E+01 Ellipticity 0.1991980E-01 Gb(Abramov) 0.3556544E+00 Vb(Abramov) -0.5059881E+00 Hb(Abramov) -0.1503336E+00 Ex_ueg -0.9417304E-01 Ec_ueg -0.1261847E-01 Delta_ex -0.9616526E-01 Delta_ec 0.1862266E-01 Delta_et -0.2559104E+00 Pxc 0.7463109E+01 Qxc -0.5163885E+01 3,-1 156 3 -1 3.201404 0.071035 3.238248 Rho 0.2288877E+00 |GRAD(Rho)| 0.4059848E-15 GRAD(Rho)x -0.2119615E-15 GRAD(Rho)y -0.8237226E-16 GRAD(Rho)z -0.3363195E-15 Laplacian 0.8355024E+00 (-1/4)Del**2(Rho)) -0.2088756E+00 Diamond 0.2798194E+01 Metallicity 0.7063765E+01 Ellipticity 0.5100724E-02 Gb(Abramov) 0.3851584E+00 Vb(Abramov) -0.5614412E+00 Hb(Abramov) -0.1762828E+00 Ex_ueg -0.1034066E+00 Ec_ueg -0.1367434E-01 Delta_ex -0.9974719E-01 Delta_ec 0.1878738E-01 Delta_et -0.2600406E+00 Pxc 0.7562095E+01 Qxc -0.5309264E+01 3,-1 157 3 -1 2.008322 2.991194 -0.857022 Rho 0.1437322E+00 |GRAD(Rho)| 0.7958180E-13 GRAD(Rho)x 0.4842226E-13 GRAD(Rho)y -0.4827803E-13 GRAD(Rho)z 0.4071583E-13 Laplacian 0.5586286E+00 (-1/4)Del**2(Rho)) -0.1396572E+00 Diamond 0.1077555E+01 Metallicity 0.4864969E+01 Ellipticity 0.4210931E-01 Gb(Abramov) 0.2063427E+00 Vb(Abramov) -0.2730283E+00 Hb(Abramov) -0.6668557E-01 Ex_ueg -0.5560627E-01 Ec_ueg -0.8043499E-02 Delta_ex -0.5938890E-01 Delta_ec 0.1436283E-01 Delta_et -0.1901207E+00 Pxc 0.6913195E+01 Qxc -0.4134902E+01 3,-1 158 3 -1 1.694296 -0.545021 1.730527 Rho 0.3913750E-01 |GRAD(Rho)| 0.8097682E-13 GRAD(Rho)x 0.7504429E-13 GRAD(Rho)y -0.3033136E-13 GRAD(Rho)z 0.2368037E-14 Laplacian 0.1516976E+00 (-1/4)Del**2(Rho)) -0.3792440E-01 Diamond 0.5374517E-01 Metallicity 0.2049382E+01 Ellipticity 0.1558903E-01 Gb(Abramov) 0.3823653E-01 Vb(Abramov) -0.3854866E-01 Hb(Abramov) -0.3121295E-03 Ex_ueg -0.9813920E-02 Ec_ueg -0.1823879E-02 Delta_ex -0.1166419E-01 Delta_ec 0.4381218E-02 Delta_et -0.4327156E-01 Pxc 0.5380796E+01 Qxc -0.2662317E+01 3,-1 159 3 -1 2.837273 -0.586120 -1.866582 Rho 0.1500694E+00 |GRAD(Rho)| 0.2354557E-15 GRAD(Rho)x -0.1058588E-15 GRAD(Rho)y -0.1972841E-15 GRAD(Rho)z 0.7288549E-16 Laplacian 0.6032140E+00 (-1/4)Del**2(Rho)) -0.1508035E+00 Diamond 0.1224380E+01 Metallicity 0.4841298E+01 Ellipticity 0.1803545E-01 Gb(Abramov) 0.2222165E+00 Vb(Abramov) -0.2936294E+00 Hb(Abramov) -0.7141295E-01 Ex_ueg -0.5889898E-01 Ec_ueg -0.8447955E-02 Delta_ex -0.6479968E-01 Delta_ec 0.1532605E-01 Delta_et -0.2040860E+00 Pxc 0.6971981E+01 Qxc -0.4228073E+01 3,-1 160 3 -1 1.820426 0.556461 2.808023 Rho 0.1647988E+00 |GRAD(Rho)| 0.8885757E-13 GRAD(Rho)x 0.6007339E-13 GRAD(Rho)y -0.6033469E-13 GRAD(Rho)z -0.2542797E-13 Laplacian 0.6856106E+00 (-1/4)Del**2(Rho)) -0.1714026E+00 Diamond 0.1538398E+01 Metallicity 0.4978810E+01 Ellipticity 0.1481852E-01 Gb(Abramov) 0.2564986E+00 Vb(Abramov) -0.3415946E+00 Hb(Abramov) -0.8509600E-01 Ex_ueg -0.6673039E-01 Ec_ueg -0.9397483E-02 Delta_ex -0.7521050E-01 Delta_ec 0.1671798E-01 Delta_et -0.2245925E+00 Pxc 0.7100879E+01 Qxc -0.4498778E+01 3,-1 161 3 -1 2.019188 0.823841 -3.027321 Rho 0.1356986E+00 |GRAD(Rho)| 0.7469224E-16 GRAD(Rho)x 0.7144892E-16 GRAD(Rho)y -0.2055918E-16 GRAD(Rho)z -0.7162511E-17 Laplacian 0.5247142E+00 (-1/4)Del**2(Rho)) -0.1311785E+00 Diamond 0.9482973E+00 Metallicity 0.4705973E+01 Ellipticity 0.3138206E-01 Gb(Abramov) 0.1903395E+00 Vb(Abramov) -0.2495004E+00 Hb(Abramov) -0.5916094E-01 Ex_ueg -0.5150139E-01 Ec_ueg -0.7534404E-02 Delta_ex -0.5505061E-01 Delta_ec 0.1375670E-01 Delta_et -0.1806664E+00 Pxc 0.6835496E+01 Qxc -0.4001732E+01 3,-1 162 3 -1 1.995997 -3.032290 0.850298 Rho 0.1235071E+00 |GRAD(Rho)| 0.6153133E-15 GRAD(Rho)x 0.3466194E-15 GRAD(Rho)y 0.2978845E-15 GRAD(Rho)z -0.4119833E-15 Laplacian 0.5037506E+00 (-1/4)Del**2(Rho)) -0.1259377E+00 Diamond 0.8316628E+00 Metallicity 0.4190035E+01 Ellipticity 0.2495000E-01 Gb(Abramov) 0.1719056E+00 Vb(Abramov) -0.2178736E+00 Hb(Abramov) -0.4596798E-01 Ex_ueg -0.4542635E-01 Ec_ueg -0.6769845E-02 Delta_ex -0.5190845E-01 Delta_ec 0.1393521E-01 Delta_et -0.1809296E+00 Pxc 0.6710101E+01 Qxc -0.3724986E+01 3,-1 163 3 +3 1.921574 1.886230 -1.905105 Rho 0.1201777E-01 |GRAD(Rho)| 0.3429212E-16 GRAD(Rho)x -0.1249196E-16 GRAD(Rho)y -0.2982246E-16 GRAD(Rho)z 0.1142459E-16 Laplacian 0.5642480E-01 (-1/4)Del**2(Rho)) -0.1410620E-01 Diamond 0.1336190E-02 Metallicity 0.7700456E+00 Ellipticity -0.7475610E+00 Gb(Abramov) 0.1121454E-01 Vb(Abramov) -0.8322873E-02 Hb(Abramov) 0.2891664E-02 Ex_ueg -0.2033061E-02 Ec_ueg -0.4603896E-03 Delta_ex -0.2506578E-02 Delta_ec 0.2538445E-03 Delta_et -0.2271562E-02 Pxc 0.4415958E+01 Qxc -0.9874462E+01 3,+3 164 3 -1 2.845001 -1.807346 -0.591937 Rho 0.1142802E+00 |GRAD(Rho)| 0.2441307E-15 GRAD(Rho)x 0.1026604E-17 GRAD(Rho)y 0.1747463E-15 GRAD(Rho)z -0.1704772E-15 Laplacian 0.4901249E+00 (-1/4)Del**2(Rho)) -0.1225312E+00 Diamond 0.7385411E+00 Metallicity 0.3783771E+01 Ellipticity 0.2012836E-01 Gb(Abramov) 0.1589592E+00 Vb(Abramov) -0.1953871E+00 Hb(Abramov) -0.3642794E-01 Ex_ueg -0.4095873E-01 Ec_ueg -0.6197935E-02 Delta_ex -0.4960906E-01 Delta_ec 0.1384003E-01 Delta_et -0.1772164E+00 Pxc 0.6608447E+01 Qxc -0.3584463E+01 3,-1 165 3 +1 3.032091 -0.142500 0.136051 Rho 0.5378378E-02 |GRAD(Rho)| 0.7603201E-17 GRAD(Rho)x -0.1224683E-17 GRAD(Rho)y -0.6030807E-17 GRAD(Rho)z -0.4465220E-17 Laplacian 0.2154601E-01 (-1/4)Del**2(Rho)) -0.5386501E-02 Diamond 0.5431305E-03 Metallicity 0.5280380E+00 Ellipticity -0.3218977E+01 Gb(Abramov) 0.4065047E-02 Vb(Abramov) -0.2743593E-02 Hb(Abramov) 0.1321454E-02 Ex_ueg -0.6959640E-03 Ec_ueg -0.1632321E-03 Delta_ex -0.1077156E-02 Delta_ec 0.6617613E-03 Delta_et -0.3680156E-02 Pxc 0.4263647E+01 Qxc -0.1627711E+01 3,+1 166 3 -1 1.832693 2.772526 0.549467 Rho 0.1559411E+00 |GRAD(Rho)| 0.1232143E-13 GRAD(Rho)x 0.7084990E-15 GRAD(Rho)y -0.8563225E-14 GRAD(Rho)z -0.8831016E-14 Laplacian 0.6507436E+00 (-1/4)Del**2(Rho)) -0.1626859E+00 Diamond 0.1367763E+01 Metallicity 0.4784143E+01 Ellipticity 0.1084722E-01 Gb(Abramov) 0.2381760E+00 Vb(Abramov) -0.3136662E+00 Hb(Abramov) -0.7549014E-01 Ex_ueg -0.6199154E-01 Ec_ueg -0.8824907E-02 Delta_ex -0.7042399E-01 Delta_ec 0.1611586E-01 Delta_et -0.2150933E+00 Pxc 0.7024611E+01 Qxc -0.4369856E+01 3,-1 167 3 -1 3.011368 -0.829415 2.015404 Rho 0.1443355E+00 |GRAD(Rho)| 0.1072518E-11 GRAD(Rho)x 0.4882044E-12 GRAD(Rho)y -0.7557403E-12 GRAD(Rho)z -0.5837881E-12 Laplacian 0.5697976E+00 (-1/4)Del**2(Rho)) -0.1424494E+00 Diamond 0.1097027E+01 Metallicity 0.4803020E+01 Ellipticity 0.2088171E-01 Gb(Abramov) 0.2089975E+00 Vb(Abramov) -0.2755456E+00 Hb(Abramov) -0.6654809E-01 Ex_ueg -0.5591769E-01 Ec_ueg -0.8081895E-02 Delta_ex -0.6055846E-01 Delta_ec 0.1449238E-01 Delta_et -0.1916434E+00 Pxc 0.6918883E+01 Qxc -0.4178643E+01 3,-1 168 3 +1 3.032180 0.117068 -0.117426 Rho 0.5403181E-02 |GRAD(Rho)| 0.5358363E-14 GRAD(Rho)x 0.3997724E-15 GRAD(Rho)y 0.4039789E-14 GRAD(Rho)z -0.3497476E-14 Laplacian 0.2171970E-01 (-1/4)Del**2(Rho)) -0.5429925E-02 Diamond 0.5829417E-03 Metallicity 0.5278476E+00 Ellipticity -0.5457106E+01 Gb(Abramov) 0.4097646E-02 Vb(Abramov) -0.2765366E-02 Hb(Abramov) 0.1332280E-02 Ex_ueg -0.7002467E-03 Ec_ueg -0.1643044E-03 Delta_ex -0.1113647E-02 Delta_ec 0.7149865E-03 Delta_et -0.3961959E-02 Pxc 0.4261887E+01 Qxc -0.1557578E+01 3,+1 169 3 -1 3.283068 -0.044294 -3.258281 Rho 0.2232242E+00 |GRAD(Rho)| 0.6877887E-11 GRAD(Rho)x 0.5204074E-11 GRAD(Rho)y -0.4907501E-12 GRAD(Rho)z -0.4470135E-11 Laplacian 0.8171596E+00 (-1/4)Del**2(Rho)) -0.2042899E+00 Diamond 0.2658264E+01 Metallicity 0.6926943E+01 Ellipticity 0.1066387E-01 Gb(Abramov) 0.3720440E+00 Vb(Abramov) -0.5397981E+00 Hb(Abramov) -0.1677541E+00 Ex_ueg -0.1000092E+00 Ec_ueg -0.1328716E-01 Delta_ex -0.9694194E-01 Delta_ec 0.1853683E-01 Delta_et -0.2563590E+00 Pxc 0.7526755E+01 Qxc -0.5229693E+01 3,-1 170 3 -1 2.805271 1.797254 0.567812 Rho 0.1351140E+00 |GRAD(Rho)| 0.2863343E-15 GRAD(Rho)x 0.1634435E-16 GRAD(Rho)y 0.2840203E-15 GRAD(Rho)z -0.3244475E-16 Laplacian 0.5580053E+00 (-1/4)Del**2(Rho)) -0.1395013E+00 Diamond 0.9967742E+00 Metallicity 0.4393482E+01 Ellipticity 0.1356273E-01 Gb(Abramov) 0.1951503E+00 Vb(Abramov) -0.2507993E+00 Hb(Abramov) -0.5564899E-01 Ex_ueg -0.5120578E-01 Ec_ueg -0.7497519E-02 Delta_ex -0.5840811E-01 Delta_ec 0.1451240E-01 Delta_et -0.1902019E+00 Pxc 0.6829696E+01 Qxc -0.4024705E+01 3,-1 171 3 -1 3.009825 1.992176 -0.837797 Rho 0.1606058E+00 |GRAD(Rho)| 0.6034214E-15 GRAD(Rho)x -0.8809143E-16 GRAD(Rho)y 0.2928295E-15 GRAD(Rho)z 0.5202002E-15 Laplacian 0.6360786E+00 (-1/4)Del**2(Rho)) -0.1590196E+00 Diamond 0.1389590E+01 Metallicity 0.5140885E+01 Ellipticity 0.4509005E-01 Gb(Abramov) 0.2422634E+00 Vb(Abramov) -0.3255071E+00 Hb(Abramov) -0.8324373E-01 Ex_ueg -0.6447630E-01 Ec_ueg -0.9125860E-02 Delta_ex -0.6938321E-01 Delta_ec 0.1570779E-01 Delta_et -0.2106134E+00 Pxc 0.7065230E+01 Qxc -0.4417120E+01 3,-1 172 3 -1 3.030245 0.030425 -0.032647 Rho 0.5407881E-02 |GRAD(Rho)| 0.1621738E-16 GRAD(Rho)x 0.4873858E-18 GRAD(Rho)y 0.1153151E-16 GRAD(Rho)z 0.1139255E-16 Laplacian 0.2140496E-01 (-1/4)Del**2(Rho)) -0.5351240E-02 Diamond 0.6250276E-03 Metallicity 0.5363858E+00 Ellipticity 0.5984451E+01 Gb(Abramov) 0.4045882E-02 Vb(Abramov) -0.2740523E-02 Hb(Abramov) 0.1305359E-02 Ex_ueg -0.7010590E-03 Ec_ueg -0.1645076E-03 Delta_ex -0.1139395E-02 Delta_ec 0.7790823E-03 Delta_et -0.4289740E-02 Pxc 0.4261560E+01 Qxc -0.1462484E+01 3,-1 173 3 -1 2.795102 0.561581 1.824000 Rho 0.1366038E+00 |GRAD(Rho)| 0.5189359E-15 GRAD(Rho)x -0.5044928E-16 GRAD(Rho)y 0.7819808E-16 GRAD(Rho)z 0.5105237E-15 Laplacian 0.5650668E+00 (-1/4)Del**2(Rho)) -0.1412667E+00 Diamond 0.1022121E+01 Metallicity 0.4418601E+01 Ellipticity 0.1080336E-01 Gb(Abramov) 0.1982113E+00 Vb(Abramov) -0.2551560E+00 Hb(Abramov) -0.5694464E-01 Ex_ueg -0.5195997E-01 Ec_ueg -0.7591562E-02 Delta_ex -0.5929746E-01 Delta_ec 0.1464399E-01 Delta_et -0.1922272E+00 Pxc 0.6844437E+01 Qxc -0.4049270E+01 3,-1 174 3 -1 -3.108908 -0.890975 -2.093606 Rho 0.1468616E+00 |GRAD(Rho)| 0.1832947E-15 GRAD(Rho)x -0.1538889E-15 GRAD(Rho)y -0.3194331E-16 GRAD(Rho)z -0.9431204E-16 Laplacian 0.5532160E+00 (-1/4)Del**2(Rho)) -0.1383040E+00 Diamond 0.1106064E+01 Metallicity 0.5092122E+01 Ellipticity 0.2676426E-01 Gb(Abramov) 0.2095795E+00 Vb(Abramov) -0.2808550E+00 Hb(Abramov) -0.7127548E-01 Ex_ueg -0.5722635E-01 Ec_ueg -0.8242914E-02 Delta_ex -0.5923669E-01 Delta_ec 0.1434944E-01 Delta_et -0.1909863E+00 Pxc 0.6942490E+01 Qxc -0.4128155E+01 3,-1 175 3 -1 -0.622926 -2.838057 1.854489 Rho 0.1720021E+00 |GRAD(Rho)| 0.3712431E-15 GRAD(Rho)x 0.2482281E-15 GRAD(Rho)y 0.8817274E-16 GRAD(Rho)z 0.2615909E-15 Laplacian 0.7069752E+00 (-1/4)Del**2(Rho)) -0.1767438E+00 Diamond 0.1673087E+01 Metallicity 0.5185195E+01 Ellipticity 0.2066751E-01 Gb(Abramov) 0.2705711E+00 Vb(Abramov) -0.3643983E+00 Hb(Abramov) -0.9382725E-01 Ex_ueg -0.7064747E-01 Ec_ueg -0.9866539E-02 Delta_ex -0.7841499E-01 Delta_ec 0.1709483E-01 Delta_et -0.2309053E+00 Pxc 0.7160310E+01 Qxc -0.4587060E+01 3,-1 176 3 -1 -0.070620 -3.222634 3.226928 Rho 0.2269992E+00 |GRAD(Rho)| 0.7906225E-11 GRAD(Rho)x -0.1012661E-11 GRAD(Rho)y -0.5374905E-11 GRAD(Rho)z 0.5709055E-11 Laplacian 0.8384343E+00 (-1/4)Del**2(Rho)) -0.2096086E+00 Diamond 0.2772671E+01 Metallicity 0.6942532E+01 Ellipticity 0.2062611E-02 Gb(Abramov) 0.3822748E+00 Vb(Abramov) -0.5549409E+00 Hb(Abramov) -0.1726662E+00 Ex_ueg -0.1022706E+00 Ec_ueg -0.1354503E-01 Delta_ex -0.9983931E-01 Delta_ec 0.1882182E-01 Delta_et -0.2600969E+00 Pxc 0.7550412E+01 Qxc -0.5304446E+01 3,-1 177 3 -1 1.182093 -2.569257 -1.861761 Rho 0.3115650E+00 |GRAD(Rho)| 0.8221427E-15 GRAD(Rho)x 0.2105331E-15 GRAD(Rho)y 0.7922494E-15 GRAD(Rho)z -0.6273168E-16 Laplacian -0.1532101E+01 (-1/4)Del**2(Rho)) 0.3830252E+00 Diamond 0.5255168E+01 Metallicity -0.6440314E+01 Ellipticity 0.3869151E-02 Gb(Abramov) 0.1557836E+00 Vb(Abramov) -0.6945924E+00 Hb(Abramov) -0.5388088E+00 Ex_ueg -0.1559971E+00 Ec_ueg -0.1952670E-01 Delta_ex 0.1507153E+00 Delta_ec 0.5392420E-01 Delta_et -0.1264382E+01 Pxc 0.7988916E+01 Qxc 0.2794946E+01 3,-1 178 3 -1 1.259916 -2.004704 -2.416597 Rho 0.4371251E-01 |GRAD(Rho)| 0.6545958E-16 GRAD(Rho)x 0.4061747E-16 GRAD(Rho)y -0.2893681E-18 GRAD(Rho)z 0.5133316E-16 Laplacian 0.1233509E+00 (-1/4)Del**2(Rho)) -0.3083771E-01 Diamond 0.7926484E-01 Metallicity 0.3030265E+01 Ellipticity 0.9843746E-02 Gb(Abramov) 0.3613289E-01 Vb(Abramov) -0.4142806E-01 Hb(Abramov) -0.5295171E-02 Ex_ueg -0.1137259E-01 Ec_ueg -0.2070392E-02 Delta_ex -0.1121829E-01 Delta_ec 0.6180601E-02 Delta_et -0.6334703E-01 Pxc 0.5492966E+01 Qxc -0.1815080E+01 3,-1 179 3 -1 3.003136 0.818676 -2.013102 Rho 0.9821210E-01 |GRAD(Rho)| 0.1919349E-13 GRAD(Rho)x 0.6159407E-14 GRAD(Rho)y -0.9080579E-14 GRAD(Rho)z -0.1574786E-13 Laplacian 0.3932113E+00 (-1/4)Del**2(Rho)) -0.9830283E-01 Diamond 0.4753880E+00 Metallicity 0.3663775E+01 Ellipticity 0.7349796E-02 Gb(Abramov) 0.1255618E+00 Vb(Abramov) -0.1528208E+00 Hb(Abramov) -0.2725897E-01 Ex_ueg -0.3346610E-01 Ec_ueg -0.5216875E-02 Delta_ex -0.3810425E-01 Delta_ec 0.1091043E-01 Delta_et -0.1349264E+00 Pxc 0.6414970E+01 Qxc -0.3492462E+01 3,-1 180 3 -1 3.279701 -3.239311 -0.029111 Rho 0.2051285E+00 |GRAD(Rho)| 0.5627926E-13 GRAD(Rho)x -0.4168221E-13 GRAD(Rho)y 0.3736844E-13 GRAD(Rho)z 0.5792106E-14 Laplacian 0.7727576E+00 (-1/4)Del**2(Rho)) -0.1931894E+00 Diamond 0.2267548E+01 Metallicity 0.6362285E+01 Ellipticity 0.3951176E-02 Gb(Abramov) 0.3336473E+00 Vb(Abramov) -0.4741051E+00 Hb(Abramov) -0.1404579E+00 Ex_ueg -0.8934831E-01 Ec_ueg -0.1206195E-01 Delta_ex -0.8967901E-01 Delta_ec 0.1791269E-01 Delta_et -0.2462272E+00 Pxc 0.7407452E+01 Qxc -0.5006452E+01 3,-1 181 3 -1 3.034122 -1.982965 0.864531 Rho 0.1182162E+00 |GRAD(Rho)| 0.2875980E-14 GRAD(Rho)x 0.2175289E-14 GRAD(Rho)y -0.1767819E-14 GRAD(Rho)z -0.6435824E-15 Laplacian 0.4889075E+00 (-1/4)Del**2(Rho)) -0.1222269E+00 Diamond 0.7663530E+00 Metallicity 0.4013420E+01 Ellipticity 0.1626329E-01 Gb(Abramov) 0.1632425E+00 Vb(Abramov) -0.2042582E+00 Hb(Abramov) -0.4101567E-01 Ex_ueg -0.4285033E-01 Ec_ueg -0.6441165E-02 Delta_ex -0.4986795E-01 Delta_ec 0.1367587E-01 Delta_et -0.1761859E+00 Pxc 0.6652576E+01 Qxc -0.3646419E+01 3,-1 182 3 -1 3.222845 3.203771 0.064371 Rho 0.2283187E+00 |GRAD(Rho)| 0.5092375E-15 GRAD(Rho)x -0.4212125E-15 GRAD(Rho)y -0.2756584E-15 GRAD(Rho)z -0.7691059E-16 Laplacian 0.8345781E+00 (-1/4)Del**2(Rho)) -0.2086445E+00 Diamond 0.2786632E+01 Metallicity 0.7042312E+01 Ellipticity 0.6622622E-02 Gb(Abramov) 0.3839863E+00 Vb(Abramov) -0.5593282E+00 Hb(Abramov) -0.1753418E+00 Ex_ueg -0.1030640E+00 Ec_ueg -0.1363536E-01 Delta_ex -0.9957187E-01 Delta_ec 0.1877902E-01 Delta_et -0.2598889E+00 Pxc 0.7558585E+01 Qxc -0.5302294E+01 3,-1 183 3 -1 -0.825680 -3.514249 -1.325062 Rho 0.3201284E+00 |GRAD(Rho)| 0.1853566E-13 GRAD(Rho)x -0.1113536E-13 GRAD(Rho)y -0.1357526E-13 GRAD(Rho)z 0.5940274E-14 Laplacian -0.1612828E+01 (-1/4)Del**2(Rho)) 0.4032069E+00 Diamond 0.5601346E+01 Metallicity -0.6400769E+01 Ellipticity 0.1292341E-02 Gb(Abramov) 0.1613344E+00 Vb(Abramov) -0.7258758E+00 Hb(Abramov) -0.5645413E+00 Ex_ueg -0.1617399E+00 Ec_ueg -0.2015444E-01 Delta_ex 0.1607729E+00 Delta_ec 0.5602448E-01 Delta_et -0.1331013E+01 Pxc 0.8025028E+01 Qxc 0.2869689E+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 79 124 107 175 137 135 176 130 115 129 117 133 121 120 134 141 126 113 139 142 104 112 127 153 164 148 181 162 180 151 170 166 171 157 182 83 70 92 54 93 57 90 74 88 73 81 68 56 79 99 174 77 63 97 78 80 66 84 61 158 173 160 167 136 156 146 159 155 179 161 169 128 85 71 172 105 178 177 118 183 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 14 17 18 21 21 28 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 21 28 19 20 36 52 52 53 53 2.395446 1.886715 1.862835 2.023607 1.972893 1.764470 1.723344 1.693103 1.725512 1.717333 2.362614 1.883810 1.869152 1.993217 2.003534 1.763896 2.419155 2.063925 2.034180 1.971452 1.957359 1.809404 2.447897 2.016405 2.023853 2.012601 1.996663 1.803641 2.469768 1.955623 1.901199 1.898461 1.942038 1.762306 2.411679 1.937646 2.089151 1.987147 2.029777 1.812790 2.363115 1.964551 2.090902 2.014205 2.013345 1.805113 2.398350 2.024380 2.043390 1.934661 1.781613 1.775556 2.429239 1.980394 2.063866 1.987757 2.008581 1.808970 2.473631 1.951565 1.879481 1.940979 1.929981 1.761436 2.474318 1.918060 1.789441 2.095437 1.965687 1.771126 3.325016 3.143461 3.340899 3.280189 3.295855 1.715045 1.003837 1.875226 0.995907 2.397140 1.887028 1.863166 2.024085 1.973406 1.764482 1.723360 1.693169 1.725528 1.717342 2.364202 1.884331 1.869461 1.993782 2.004072 1.763906 2.421569 2.064119 2.034396 1.971721 1.957621 1.809415 2.449993 2.016814 2.024361 2.012901 1.996996 1.803644 2.471369 1.956063 1.901569 1.898958 1.942537 1.762318 2.413505 1.937919 2.089329 1.987405 2.030046 1.812802 2.365763 1.964768 2.091102 2.014626 2.014216 1.805130 2.400843 2.024663 2.043735 1.935104 1.781754 1.775577 2.430968 1.980585 2.064081 1.988031 2.008878 1.808979 2.475244 1.952008 1.879815 1.941491 1.930501 1.761447 2.475820 1.918346 1.789544 2.095874 1.966231 1.771151 3.355693 3.147395 3.347952 3.282432 3.296420 1.717997 1.003891 1.876310 0.995974 30 27 25 27 26 24 23 24 23 23 30 26 25 26 27 24 30 26 25 26 26 27 29 28 25 30 26 24 29 28 25 27 26 24 30 28 29 26 28 25 30 27 28 26 26 26 30 26 27 26 24 24 30 27 27 26 30 26 29 28 26 28 28 23 29 25 25 30 25 25 35 35 35 35 35 25 20 27 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 W As W Ta Ta W Ta Ta W Ta 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 H 2.4090 2.4512 2.4124 2.1742 2.1787 2.4032 2.1519 2.1640 2.3222 2.1554 2.4116 2.3274 -1.1066 -1.0135 -1.1065 -1.1084 -1.0163 -1.0044 -1.0092 -0.9779 -0.8716 -0.9736 -0.9710 -0.9763 -0.9653 -0.9679 -0.9839 -0.9131 -1.0189 -1.0385 -1.0000 -1.0523 -1.0051 -1.0178 -1.0512 -0.8703 -0.9059 -1.0519 -1.0300 -1.0021 -0.8791 -0.8949 -0.8732 -0.9804 -0.9670 -0.8743 -0.9862 -0.9692 -0.9004 -0.9808 -0.8726 0.3086 0.3178 2.1119 0.8558 2.1064 2.1172 2.1207 2.1074 2.1225 2.1338 2.1437 2.1263 2.1081 2.1315 1.9349 1.9492 1.9365 1.9338 1.9212 1.9254 1.9246 1.9271 1.9548 1.9297 1.9295 1.9288 1.9309 1.9300 1.9273 1.8712 1.9323 1.9310 1.9357 1.9269 1.9347 1.9337 1.9268 1.9458 1.8652 1.9271 1.9317 1.9342 1.9527 1.9489 1.9527 1.9349 1.9362 1.9521 1.9340 1.9363 1.9455 1.9353 1.9531 0.5340 0.5423 6.1038 1.1489 6.1011 6.0806 6.0898 6.1029 6.0858 6.0935 6.1176 6.0910 6.1026 6.1225 5.1367 5.0285 5.1339 5.1401 5.0714 5.0521 5.0604 5.0224 4.8837 5.0166 5.0124 5.0204 5.0064 5.0091 5.0301 5.0140 5.0591 5.0797 5.0366 5.1001 5.0414 5.0561 5.0995 4.8956 5.0146 5.1000 5.0722 5.0385 4.8953 4.9158 4.8892 5.0210 5.0057 4.8906 5.0282 5.0082 4.9252 5.0211 4.8879 0.1574 0.1400 3.3456 10.5442 3.3504 2.5933 2.5767 3.3568 2.6051 2.5743 3.3871 2.5928 3.3480 3.3896 0.0350 0.0358 0.0361 0.0345 0.0237 0.0269 0.0242 0.0285 0.0331 0.0273 0.0292 0.0271 0.0280 0.0289 0.0266 0.0279 0.0275 0.0278 0.0277 0.0253 0.0290 0.0280 0.0249 0.0288 0.0260 0.0248 0.0261 0.0294 0.0311 0.0302 0.0312 0.0244 0.0251 0.0315 0.0240 0.0247 0.0297 0.0244 0.0316 0.0000 0.0000 14.0297 0.0000 14.0297 14.0347 14.0341 14.0298 14.0347 14.0344 14.0293 14.0346 14.0297 14.0290 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W As W Ta Ta W Ta Ta W Ta 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 H 2.491241 2.308150 2.495032 2.356383 2.361889 2.494009 2.349286 2.377482 2.487811 2.354448 2.494525 2.467509 -1.095254 -1.032182 -1.086910 -1.101849 -1.064542 -1.024821 -1.053103 -1.002842 -0.851124 -1.008218 -0.989479 -1.015287 -1.004737 -1.000881 -1.019162 -0.669970 -1.031864 -1.036693 -1.013229 -1.079463 -1.008818 -1.015486 -1.078438 -0.936809 -0.724976 -1.080089 -1.035081 -1.006742 -0.934688 -0.958664 -0.927923 -1.081086 -1.065410 -0.929656 -1.091460 -1.062363 -0.967012 -1.082174 -0.926849 0.023916 0.033654 1.921023 1.741431 1.924031 1.836678 1.858156 1.920725 1.824572 1.872727 1.934106 1.830741 1.923384 1.909486 -0.707494 -0.683001 -0.699077 -0.713685 -0.807827 -0.784864 -0.786475 -0.747312 -0.761844 -0.772476 -0.743594 -0.782368 -0.780354 -0.774405 -0.772923 -0.899427 -0.865582 -0.870541 -0.857929 -0.929551 -0.844206 -0.840489 -0.923156 -0.864047 -0.960992 -0.930465 -0.856315 -0.844121 -0.863582 -0.887734 -0.855282 -1.034487 -1.003881 -0.857426 -1.046318 -1.003161 -0.902976 -1.038155 -0.854235 0.294084 0.360611 2.036911 1.673232 2.039797 1.960033 1.961320 2.036797 1.949812 1.973123 2.040531 1.960188 2.040864 2.016238 -0.783554 -0.757398 -0.777685 -0.792778 -0.912058 -0.882632 -0.878686 -0.833205 -0.800769 -0.849877 -0.826362 -0.851037 -0.845083 -0.864106 -0.857842 -0.925469 -0.907823 -0.904189 -0.887425 -0.976349 -0.882539 -0.895524 -0.960626 -0.845807 -0.947679 -0.966497 -0.907446 -0.876937 -0.822763 -0.860137 -0.819423 -1.007438 -0.984320 -0.822760 -1.018934 -0.985877 -0.885253 -1.008476 -0.817935 0.351424 0.390427 11.79937677 -3.81608865 -7.48666979 14.48578784 -33.18912590 13.06905380 11.56918785 9.37016275 2.37734981 23.81896315 -362.3779 419.0548 21.1480 -433.7437 -118.5309 -474.4497 Jun20-2024 06:17:50 Nodes: 1 Procs: 1 Jun20-2024 06:17:52 Nodes: 1 Procs: 1 0 Jun20-2024 06:17:53 Nodes: 1 Procs: 1 Jun20-2024 06:17:55 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:17:58 Nodes: 1 Procs: 1 Jun20-2024 06:18:00 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:18:03 Nodes: 1 Procs: 1 Jun20-2024 06:18:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 06:18:06 Nodes: 1 Procs: 1 Jun20-2024 06:18:09 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 06:18:13 Nodes: 1 Procs: 5 *** (NO TITLE) *** -10 -16.96760279 -17.27288820 -17.36264366 -17.37512222 -17.38146147 -17.38947518 -17.39286836 -17.39722898 -17.40184792 -17.40391869 -17.40541627 -17.41028251 -17.41606785 -17.42015226 -17.41175709 -17.42100451 -17.42226544 -17.42716008 -17.42943247 -17.43173571 -17.43288124 -17.43378074 -17.43442403 -17.43472071 -17.43511796 -17.43538771 -17.43552195 -17.43560217 -17.43563385 -17.43566203 -17.43567104 -17.43570528 GEOMETRY CONVERGED