ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 16:55:41 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.50 0.05 3.71 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 16:55:41 Nodes: 1 Procs: 1 Jun20-2024 16:55:45 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 16:55:49 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.70 0.07 3.93 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 16:55:41 Nodes: 1 Procs: 1 Jun20-2024 16:55:45 Nodes: 1 Procs: 1 0 Jun20-2024 16:55:49 Nodes: 1 Procs: 1 Jun20-2024 16:55:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 16:55:56 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.69 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 16:55:41 Nodes: 1 Procs: 1 Jun20-2024 16:55:45 Nodes: 1 Procs: 1 0 Jun20-2024 16:55:49 Nodes: 1 Procs: 1 Jun20-2024 16:55:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 16:55:56 Nodes: 1 Procs: 1 Jun20-2024 16:55:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 16:56:01 Arsenic (TZP, 3p frozen) c5-48 c5-48 c5-48 c5-48 c5-48 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.09 4.12 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 16:55:41 Nodes: 1 Procs: 1 Jun20-2024 16:55:45 Nodes: 1 Procs: 1 0 Jun20-2024 16:55:49 Nodes: 1 Procs: 1 Jun20-2024 16:55:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 16:55:56 Nodes: 1 Procs: 1 Jun20-2024 16:55:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 16:56:01 Nodes: 1 Procs: 1 Jun20-2024 16:56:04 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 16:56:10 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2903.625000000006 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-0.968463 -0.987959 Rho 0.3190272E+03 3,-3 15 3 -3 0.994243 0.991979 -0.968186 Rho 0.3190251E+03 3,-3 16 3 -3 -0.990374 0.989609 0.988969 Rho 0.3190060E+03 3,-3 17 3 -3 -3.011973 -1.160379 1.140419 Rho 0.3188618E+03 3,-3 18 3 -3 3.071743 -1.225100 -1.220127 Rho 0.3188145E+03 3,-3 19 3 -3 -3.076376 1.103303 -1.193226 Rho 0.3188757E+03 3,-3 20 3 -3 3.081823 1.214928 1.144834 Rho 0.3188351E+03 3,-3 21 3 -3 1.134399 -1.227897 -3.098225 Rho 0.3188695E+03 3,-3 22 3 -3 1.171925 1.171182 3.067744 Rho 0.3188246E+03 3,-3 23 3 -3 -1.226607 1.132656 -3.095310 Rho 0.3188678E+03 3,-3 24 3 -3 -1.158708 -1.158257 2.973358 Rho 0.3188566E+03 3,-3 25 3 -3 -1.220708 3.070315 -1.216312 Rho 0.3188147E+03 3,-3 26 3 -3 -1.166119 -3.013573 1.144281 Rho 0.3188625E+03 3,-3 27 3 -3 1.217198 3.080546 1.146341 Rho 0.3188354E+03 3,-3 28 3 -3 1.098832 -3.074879 -1.191550 Rho 0.3188770E+03 3,-3 29 3 -3 3.489498 -1.579355 1.565331 Rho 0.3188580E+03 3,-3 30 3 -3 -3.432485 -1.541810 -1.504394 Rho 0.3189257E+03 3,-3 31 3 -3 3.478118 1.573259 -1.505707 Rho 0.3188827E+03 3,-3 32 3 -3 -3.488149 1.449832 1.563563 Rho 0.3189211E+03 3,-3 33 3 -3 1.475990 -1.581620 3.487536 Rho 0.3189141E+03 3,-3 34 3 -3 1.520452 1.520071 -3.503898 Rho 0.3188615E+03 3,-3 35 3 -3 -1.580896 1.476120 3.487045 Rho 0.3189132E+03 3,-3 36 3 -3 -1.554002 -1.553895 -3.396258 Rho 0.3189201E+03 3,-3 37 3 -3 -1.545742 -3.432653 -1.503097 Rho 0.3189273E+03 3,-3 38 3 -3 -1.577003 3.490043 1.564584 Rho 0.3188578E+03 3,-3 39 3 -3 1.445997 -3.489828 1.562641 Rho 0.3189228E+03 3,-3 40 3 -3 1.575944 3.475851 -1.505563 Rho 0.3188833E+03 3,-3 41 3 -3 -0.290307 -3.769532 3.778729 Rho 0.3192310E+03 3,-3 42 3 -3 0.159057 -3.808711 -3.777135 Rho 0.3192260E+03 3,-3 43 3 -3 -0.190128 3.861321 -3.848155 Rho 0.3190970E+03 3,-3 44 3 -3 0.216241 3.833981 3.854578 Rho 0.3190952E+03 3,-3 45 3 -3 3.800357 -3.893606 -0.205895 Rho 0.3190918E+03 3,-3 46 3 -3 3.814098 3.812793 0.215418 Rho 0.3192202E+03 3,-3 47 3 -3 -3.892092 3.803125 -0.206429 Rho 0.3190919E+03 3,-3 48 3 -3 -3.769417 -3.764258 0.231648 Rho 0.3192397E+03 3,-3 49 3 -3 -3.808232 0.160625 -3.778900 Rho 0.3192264E+03 3,-3 50 3 -3 -3.769818 -0.290963 3.776747 Rho 0.3192308E+03 3,-3 51 3 -3 3.834687 0.217507 3.852873 Rho 0.3190950E+03 3,-3 52 3 -3 3.863365 -0.186830 -3.849493 Rho 0.3190972E+03 3,-3 53 3 -3 0.014751 0.013646 0.018759 Rho 0.4276085E+05 3,-3 54 3 +1 1.705148 0.540534 0.576752 Rho 0.8096583E-02 |GRAD(Rho)| 0.1274836E-12 GRAD(Rho)x -0.1172019E-12 GRAD(Rho)y -0.4065956E-14 GRAD(Rho)z 0.4999259E-13 Laplacian 0.3053815E-01 (-1/4)Del**2(Rho)) -0.7634537E-02 Diamond 0.7556413E-03 Metallicity 0.7366708E+00 Ellipticity -0.1462897E+01 Gb(Abramov) 0.6027048E-02 Vb(Abramov) -0.4419559E-02 Hb(Abramov) 0.1607489E-02 Ex_ueg -0.1200754E-02 Ec_ueg -0.2825124E-03 Delta_ex -0.1375420E-02 Delta_ec 0.4322249E-03 Delta_et -0.2906612E-02 Pxc 0.4250270E+01 Qxc -0.3182187E+01 3,+1 55 3 +1 -1.696962 0.550528 -0.521055 Rho 0.8094461E-02 |GRAD(Rho)| 0.1990662E-16 GRAD(Rho)x -0.1463185E-16 GRAD(Rho)y 0.1298657E-16 GRAD(Rho)z -0.3678523E-17 Laplacian 0.3105585E-01 (-1/4)Del**2(Rho)) -0.7763962E-02 Diamond 0.7668794E-03 Metallicity 0.7240740E+00 Ellipticity -0.1441623E+01 Gb(Abramov) 0.6112922E-02 Vb(Abramov) -0.4461882E-02 Hb(Abramov) 0.1651040E-02 Ex_ueg -0.1200334E-02 Ec_ueg -0.2824180E-03 Delta_ex -0.1398011E-02 Delta_ec 0.4384204E-03 Delta_et -0.2949006E-02 Pxc 0.4250206E+01 Qxc -0.3188746E+01 3,+1 56 3 +1 -1.664354 -0.530326 0.532551 Rho 0.8599913E-02 |GRAD(Rho)| 0.1090946E-16 GRAD(Rho)x 0.9050607E-17 GRAD(Rho)y 0.2445538E-17 GRAD(Rho)z -0.5578726E-17 Laplacian 0.3352010E-01 (-1/4)Del**2(Rho)) -0.8380025E-02 Diamond 0.8996793E-03 Metallicity 0.7421038E+00 Ellipticity -0.1449351E+01 Gb(Abramov) 0.6623158E-02 Vb(Abramov) -0.4866291E-02 Hb(Abramov) 0.1756867E-02 Ex_ueg -0.1301299E-02 Ec_ueg -0.3049762E-03 Delta_ex -0.1532519E-02 Delta_ec 0.4738147E-03 Delta_et -0.3236762E-02 Pxc 0.4266887E+01 Qxc -0.3234427E+01 3,+1 57 3 +1 0.582821 -0.522607 -1.711054 Rho 0.7644416E-02 |GRAD(Rho)| 0.5922101E-16 GRAD(Rho)x 0.2052781E-16 GRAD(Rho)y -0.3790120E-16 GRAD(Rho)z 0.4061078E-16 Laplacian 0.2901088E-01 (-1/4)Del**2(Rho)) -0.7252719E-02 Diamond 0.6664638E-03 Metallicity 0.7046273E+00 Ellipticity -0.1436582E+01 Gb(Abramov) 0.5686890E-02 Vb(Abramov) -0.4121061E-02 Hb(Abramov) 0.1565829E-02 Ex_ueg -0.1112186E-02 Ec_ueg -0.2624296E-03 Delta_ex -0.1289317E-02 Delta_ec 0.4130754E-03 Delta_et -0.2734739E-02 Pxc 0.4238036E+01 Qxc -0.3121262E+01 3,+1 58 3 +1 -2.993108 0.203131 0.198288 Rho 0.5486274E-02 |GRAD(Rho)| 0.8610795E-16 GRAD(Rho)x -0.1061727E-16 GRAD(Rho)y 0.5546023E-16 GRAD(Rho)z 0.6500781E-16 Laplacian 0.2225214E-01 (-1/4)Del**2(Rho)) -0.5563036E-02 Diamond 0.5008217E-03 Metallicity 0.5284904E+00 Ellipticity -0.1928308E+01 Gb(Abramov) 0.4198693E-02 Vb(Abramov) -0.2834349E-02 Hb(Abramov) 0.1364344E-02 Ex_ueg -0.7146417E-03 Ec_ueg -0.1678988E-03 Delta_ex -0.1055039E-02 Delta_ec 0.5731439E-03 Delta_et -0.3251532E-02 Pxc 0.4256384E+01 Qxc -0.1840793E+01 3,+1 59 3 +3 2.398419 -0.019928 -0.006218 Rho 0.4068251E-02 |GRAD(Rho)| 0.2868043E-17 GRAD(Rho)x 0.9546500E-18 GRAD(Rho)y -0.2221591E-17 GRAD(Rho)z -0.1542352E-17 Laplacian 0.1599771E-01 (-1/4)Del**2(Rho)) -0.3999426E-02 Diamond 0.1209579E-03 Metallicity 0.4465826E+00 Ellipticity -0.2163801E+00 Gb(Abramov) 0.2963963E-02 Vb(Abramov) -0.1928500E-02 Hb(Abramov) 0.1035463E-02 Ex_ueg -0.4796548E-03 Ec_ueg -0.1070389E-03 Delta_ex -0.5670107E-03 Delta_ec 0.1505410E-03 Delta_et -0.9136815E-03 Pxc 0.4481126E+01 Qxc -0.3766486E+01 3,+3 60 3 -1 -1.730936 -0.512168 -1.741484 Rho 0.4469234E-01 |GRAD(Rho)| 0.6150246E-14 GRAD(Rho)x -0.4080694E-14 GRAD(Rho)y 0.2191224E-14 GRAD(Rho)z -0.4046232E-14 Laplacian 0.1783909E+00 (-1/4)Del**2(Rho)) -0.4459771E-01 Diamond 0.7690296E-01 Metallicity 0.2174181E+01 Ellipticity 0.1852381E-01 Gb(Abramov) 0.4589239E-01 Vb(Abramov) -0.4718707E-01 Hb(Abramov) -0.1294678E-02 Ex_ueg -0.1171375E-01 Ec_ueg -0.2123657E-02 Delta_ex -0.1423967E-01 Delta_ec 0.5254219E-02 Delta_et -0.5377844E-01 Pxc 0.5515836E+01 Qxc -0.2710140E+01 3,-1 61 3 -1 -1.741839 0.551105 1.745156 Rho 0.4694171E-01 |GRAD(Rho)| 0.1069865E-15 GRAD(Rho)x 0.4936466E-16 GRAD(Rho)y 0.1761765E-16 GRAD(Rho)z -0.9326764E-16 Laplacian 0.1900090E+00 (-1/4)Del**2(Rho)) -0.4750225E-01 Diamond 0.8774904E-01 Metallicity 0.2215324E+01 Ellipticity 0.1640053E-01 Gb(Abramov) 0.4920698E-01 Vb(Abramov) -0.5091171E-01 Hb(Abramov) -0.1704729E-02 Ex_ueg -0.1250634E-01 Ec_ueg -0.2246534E-02 Delta_ex -0.1536354E-01 Delta_ec 0.5609613E-02 Delta_et -0.5816802E-01 Pxc 0.5566951E+01 Qxc -0.2738787E+01 3,-1 62 3 -1 -3.044006 0.837606 2.023115 Rho 0.1622161E+00 |GRAD(Rho)| 0.2376281E-15 GRAD(Rho)x 0.2176129E-15 GRAD(Rho)y -0.9375638E-16 GRAD(Rho)z -0.1792999E-16 Laplacian 0.6289897E+00 (-1/4)Del**2(Rho)) -0.1572474E+00 Diamond 0.1395763E+01 Metallicity 0.5285989E+01 Ellipticity 0.3793073E-01 Gb(Abramov) 0.2433663E+00 Vb(Abramov) -0.3294852E+00 Hb(Abramov) -0.8611888E-01 Ex_ueg -0.6533968E-01 Ec_ueg -0.9230052E-02 Delta_ex -0.6882612E-01 Delta_ec 0.1557489E-01 Delta_et -0.2093016E+00 Pxc 0.7079015E+01 Qxc -0.4419042E+01 3,-1 63 3 +1 1.703083 -0.562957 -0.559411 Rho 0.7790016E-02 |GRAD(Rho)| 0.4013139E-15 GRAD(Rho)x -0.2877510E-15 GRAD(Rho)y 0.2138339E-15 GRAD(Rho)z 0.1803532E-15 Laplacian 0.2884473E-01 (-1/4)Del**2(Rho)) -0.7211183E-02 Diamond 0.6735380E-03 Metallicity 0.7313254E+00 Ellipticity -0.1462653E+01 Gb(Abramov) 0.5686409E-02 Vb(Abramov) -0.4161634E-02 Hb(Abramov) 0.1524774E-02 Ex_ueg -0.1140520E-02 Ec_ueg -0.2688862E-03 Delta_ex -0.1284737E-02 Delta_ec 0.4048903E-03 Delta_et -0.2698522E-02 Pxc 0.4241645E+01 Qxc -0.3173048E+01 3,+1 64 3 -1 -3.005461 -0.851811 -1.993192 Rho 0.1219464E+00 |GRAD(Rho)| 0.1594744E-13 GRAD(Rho)x -0.1117161E-13 GRAD(Rho)y -0.5317564E-14 GRAD(Rho)z 0.1006180E-13 Laplacian 0.4788527E+00 (-1/4)Del**2(Rho)) -0.1197132E+00 Diamond 0.7567030E+00 Metallicity 0.4315449E+01 Ellipticity 0.2672291E-01 Gb(Abramov) 0.1659115E+00 Vb(Abramov) -0.2121098E+00 Hb(Abramov) -0.4619829E-01 Ex_ueg -0.4466255E-01 Ec_ueg -0.6672687E-02 Delta_ex -0.4890735E-01 Delta_ec 0.1277304E-01 Delta_et -0.1646328E+00 Pxc 0.6693339E+01 Qxc -0.3828952E+01 3,-1 65 3 +1 2.204206 1.069541 -1.414254 Rho 0.2531963E-01 |GRAD(Rho)| 0.5228126E-15 GRAD(Rho)x -0.3620229E-15 GRAD(Rho)y 0.2588627E-15 GRAD(Rho)z -0.2743401E-15 Laplacian 0.9733494E-01 (-1/4)Del**2(Rho)) -0.2433373E-01 Diamond 0.1207094E-01 Metallicity 0.1545634E+01 Ellipticity -0.2887964E+01 Gb(Abramov) 0.2249100E-01 Vb(Abramov) -0.2064826E-01 Hb(Abramov) 0.1842737E-02 Ex_ueg -0.5491128E-02 Ec_ueg -0.1104821E-02 Delta_ex -0.5979896E-02 Delta_ec 0.1483166E-02 Delta_et -0.1317046E-01 Pxc 0.4970154E+01 Qxc -0.4031845E+01 3,+1 66 3 -1 -3.235294 0.051457 -3.219462 Rho 0.2321794E+00 |GRAD(Rho)| 0.4089592E-15 GRAD(Rho)x -0.1166059E-15 GRAD(Rho)y 0.4773200E-16 GRAD(Rho)z -0.3890659E-15 Laplacian 0.8517498E+00 (-1/4)Del**2(Rho)) -0.2129375E+00 Diamond 0.2893850E+01 Metallicity 0.7095894E+01 Ellipticity 0.1539659E-02 Gb(Abramov) 0.3937886E+00 Vb(Abramov) -0.5746397E+00 Hb(Abramov) -0.1808511E+00 Ex_ueg -0.1053942E+00 Ec_ueg -0.1390017E-01 Delta_ex -0.1020193E+00 Delta_ec 0.1899213E-01 Delta_et -0.2627053E+00 Pxc 0.7582221E+01 Qxc -0.5371660E+01 3,-1 67 3 +3 -1.114809 1.132160 -1.139211 Rho 0.4708934E-02 |GRAD(Rho)| 0.3488977E-17 GRAD(Rho)x -0.2461583E-17 GRAD(Rho)y -0.9114587E-18 GRAD(Rho)z 0.2298438E-17 Laplacian 0.1749061E-01 (-1/4)Del**2(Rho)) -0.4372653E-02 Diamond 0.1123928E-03 Metallicity 0.5212097E+00 Ellipticity -0.2051037E+00 Gb(Abramov) 0.3294947E-02 Vb(Abramov) -0.2217241E-02 Hb(Abramov) 0.1077706E-02 Ex_ueg -0.5829284E-03 Ec_ueg -0.1344086E-03 Delta_ex -0.5942075E-03 Delta_ec 0.7682942E-04 Delta_et -0.6025896E-03 Pxc 0.4336986E+01 Qxc -0.7734114E+01 3,+3 68 3 -1 -3.208326 -3.205916 0.074276 Rho 0.2336195E+00 |GRAD(Rho)| 0.1566630E-14 GRAD(Rho)x -0.1399000E-14 GRAD(Rho)y -0.6371314E-15 GRAD(Rho)z 0.3019774E-15 Laplacian 0.8590228E+00 (-1/4)Del**2(Rho)) -0.2147557E+00 Diamond 0.2939514E+01 Metallicity 0.7108701E+01 Ellipticity 0.1594968E-02 Gb(Abramov) 0.3976095E+00 Vb(Abramov) -0.5804633E+00 Hb(Abramov) -0.1828538E+00 Ex_ueg -0.1062667E+00 Ec_ueg -0.1399916E-01 Delta_ex -0.1030515E+00 Delta_ec 0.1911139E-01 Delta_et -0.2643879E+00 Pxc 0.7590932E+01 Qxc -0.5392150E+01 3,-1 69 3 +1 -2.041335 -2.041004 -2.015908 Rho 0.1249495E-01 |GRAD(Rho)| 0.4097023E-11 GRAD(Rho)x -0.2201424E-11 GRAD(Rho)y -0.2253932E-11 GRAD(Rho)z 0.2618992E-11 Laplacian 0.5975848E-01 (-1/4)Del**2(Rho)) -0.1493962E-01 Diamond 0.2015217E-02 Metallicity 0.7758386E+00 Ellipticity -0.1115489E+01 Gb(Abramov) 0.1189154E-01 Vb(Abramov) -0.8843451E-02 Hb(Abramov) 0.3048085E-02 Ex_ueg -0.2141401E-02 Ec_ueg -0.4824657E-03 Delta_ex -0.2827683E-02 Delta_ec 0.5234863E-03 Delta_et -0.4153716E-02 Pxc 0.4438451E+01 Qxc -0.5401637E+01 3,+1 70 3 +1 -1.761388 -1.759807 1.738855 Rho 0.1252412E-01 |GRAD(Rho)| 0.2421757E-14 GRAD(Rho)x 0.7519739E-15 GRAD(Rho)y -0.2300580E-14 GRAD(Rho)z 0.8231752E-16 Laplacian 0.6269387E-01 (-1/4)Del**2(Rho)) -0.1567347E-01 Diamond 0.2612024E-02 Metallicity 0.7423919E+00 Ellipticity -0.1249398E+01 Gb(Abramov) 0.1238829E-01 Vb(Abramov) -0.9103108E-02 Hb(Abramov) 0.3285180E-02 Ex_ueg -0.2148067E-02 Ec_ueg -0.4838178E-03 Delta_ex -0.3102529E-02 Delta_ec 0.7884899E-03 Delta_et -0.5993344E-02 Pxc 0.4439827E+01 Qxc -0.3934773E+01 3,+1 71 3 -1 -2.829469 1.817324 -0.577632 Rho 0.1008746E+00 |GRAD(Rho)| 0.1725935E-15 GRAD(Rho)x 0.5283114E-16 GRAD(Rho)y 0.1510023E-15 GRAD(Rho)z 0.6477430E-16 Laplacian 0.4384874E+00 (-1/4)Del**2(Rho)) -0.1096219E+00 Diamond 0.5728345E+00 Metallicity 0.3435256E+01 Ellipticity 0.2183557E-01 Gb(Abramov) 0.1358444E+00 Vb(Abramov) -0.1620670E+00 Hb(Abramov) -0.2622258E-01 Ex_ueg -0.3468121E-01 Ec_ueg -0.5378063E-02 Delta_ex -0.4318576E-01 Delta_ec 0.1285931E-01 Delta_et -0.1608276E+00 Pxc 0.6448643E+01 Qxc -0.3358326E+01 3,-1 72 3 -1 -3.043863 1.995583 0.876188 Rho 0.1003604E+00 |GRAD(Rho)| 0.2350845E-15 GRAD(Rho)x -0.1105818E-15 GRAD(Rho)y -0.1454728E-15 GRAD(Rho)z 0.1478987E-15 Laplacian 0.4163939E+00 (-1/4)Del**2(Rho)) -0.1040985E+00 Diamond 0.5371874E+00 Metallicity 0.3586849E+01 Ellipticity 0.3699912E-02 Gb(Abramov) 0.1316299E+00 Vb(Abramov) -0.1591613E+00 Hb(Abramov) -0.2753142E-01 Ex_ueg -0.3444571E-01 Ec_ueg -0.5346891E-02 Delta_ex -0.4090305E-01 Delta_ec 0.1212028E-01 Delta_et -0.1513034E+00 Pxc 0.6442193E+01 Qxc -0.3374762E+01 3,-1 73 3 -1 -3.002930 -2.002784 -0.851293 Rho 0.1461716E+00 |GRAD(Rho)| 0.6630081E-15 GRAD(Rho)x -0.3382169E-15 GRAD(Rho)y 0.4390070E-15 GRAD(Rho)z -0.3639531E-15 Laplacian 0.5736705E+00 (-1/4)Del**2(Rho)) -0.1434176E+00 Diamond 0.1124566E+01 Metallicity 0.4872169E+01 Ellipticity 0.4790850E-01 Gb(Abramov) 0.2120709E+00 Vb(Abramov) -0.2807242E+00 Hb(Abramov) -0.6865328E-01 Ex_ueg -0.5686815E-01 Ec_ueg -0.8198894E-02 Delta_ex -0.6119211E-01 Delta_ec 0.1460402E-01 Delta_et -0.1935998E+00 Pxc 0.6936076E+01 Qxc -0.4190088E+01 3,-1 74 3 -1 -2.779126 -1.806870 0.557746 Rho 0.1458390E+00 |GRAD(Rho)| 0.4947466E-15 GRAD(Rho)x -0.1368128E-16 GRAD(Rho)y -0.4134605E-15 GRAD(Rho)z 0.2713623E-15 Laplacian 0.6092973E+00 (-1/4)Del**2(Rho)) -0.1523243E+00 Diamond 0.1186649E+01 Metallicity 0.4569898E+01 Ellipticity 0.1445054E-01 Gb(Abramov) 0.2175673E+00 Vb(Abramov) -0.2828103E+00 Hb(Abramov) -0.6524300E-01 Ex_ueg -0.5669566E-01 Ec_ueg -0.8177682E-02 Delta_ex -0.6490961E-01 Delta_ec 0.1543676E-01 Delta_et -0.2043884E+00 Pxc 0.6932974E+01 Qxc -0.4204873E+01 3,-1 75 3 +1 -2.177833 -1.144785 -1.313125 Rho 0.2733191E-01 |GRAD(Rho)| 0.3350064E-16 GRAD(Rho)x -0.3272893E-16 GRAD(Rho)y -0.2080239E-17 GRAD(Rho)z -0.6839820E-17 Laplacian 0.1089911E+00 (-1/4)Del**2(Rho)) -0.2724778E-01 Diamond 0.1681485E-01 Metallicity 0.1567973E+01 Ellipticity -0.5197903E+01 Gb(Abramov) 0.2528582E-01 Vb(Abramov) -0.2332385E-01 Hb(Abramov) 0.1961963E-02 Ex_ueg -0.6080579E-02 Ec_ueg -0.1206824E-02 Delta_ex -0.7009777E-02 Delta_ec 0.1969556E-02 Delta_et -0.1774628E-01 Pxc 0.5038498E+01 Qxc -0.3559064E+01 3,+1 76 3 +3 -0.016397 2.395496 -0.004409 Rho 0.4076600E-02 |GRAD(Rho)| 0.4657151E-12 GRAD(Rho)x 0.1874611E-12 GRAD(Rho)y 0.3787715E-12 GRAD(Rho)z -0.1956554E-12 Laplacian 0.1604237E-01 (-1/4)Del**2(Rho)) -0.4010592E-02 Diamond 0.1214279E-03 Metallicity 0.4468634E+00 Ellipticity -0.2205253E+00 Gb(Abramov) 0.2972426E-02 Vb(Abramov) -0.1934260E-02 Hb(Abramov) 0.1038166E-02 Ex_ueg -0.4809676E-03 Ec_ueg -0.1073941E-03 Delta_ex -0.5686375E-03 Delta_ec 0.1505149E-03 Delta_et -0.9145944E-03 Pxc 0.4478527E+01 Qxc -0.3777949E+01 3,+3 77 3 +3 -1.936412 -1.936216 -1.916165 Rho 0.1242087E-01 |GRAD(Rho)| 0.2117548E-16 GRAD(Rho)x -0.3660618E-17 GRAD(Rho)y 0.1517349E-16 GRAD(Rho)z -0.1430964E-16 Laplacian 0.5886808E-01 (-1/4)Del**2(Rho)) -0.1471702E-01 Diamond 0.1509277E-02 Metallicity 0.7798063E+00 Ellipticity -0.8224329E+00 Gb(Abramov) 0.1172408E-01 Vb(Abramov) -0.8731149E-02 Hb(Abramov) 0.2992936E-02 Ex_ueg -0.2124489E-02 Ec_ueg -0.4790326E-03 Delta_ex -0.2654088E-02 Delta_ec 0.2891801E-03 Delta_et -0.2544829E-02 Pxc 0.4434957E+01 Qxc -0.9177978E+01 3,+3 78 3 +3 0.019215 -2.312980 0.008618 Rho 0.4570979E-02 |GRAD(Rho)| 0.3222972E-17 GRAD(Rho)x -0.2081729E-17 GRAD(Rho)y 0.2430884E-17 GRAD(Rho)z 0.3804712E-18 Laplacian 0.1863241E-01 (-1/4)Del**2(Rho)) -0.4658101E-02 Diamond 0.1537579E-03 Metallicity 0.4656143E+00 Ellipticity -0.3634227E+00 Gb(Abramov) 0.3466881E-02 Vb(Abramov) -0.2275660E-02 Hb(Abramov) 0.1191221E-02 Ex_ueg -0.5602700E-03 Ec_ueg -0.1284973E-03 Delta_ex -0.6684249E-03 Delta_ec 0.1543434E-03 Delta_et -0.9922774E-03 Pxc 0.4360171E+01 Qxc -0.4330765E+01 3,+3 79 3 +3 -1.113069 -1.115342 1.094379 Rho 0.5164650E-02 |GRAD(Rho)| 0.1874353E-16 GRAD(Rho)x -0.1652020E-16 GRAD(Rho)y -0.8837981E-17 GRAD(Rho)z 0.5412259E-18 Laplacian 0.2031216E-01 (-1/4)Del**2(Rho)) -0.5078039E-02 Diamond 0.1502061E-03 Metallicity 0.5235104E+00 Ellipticity -0.1268492E+00 Gb(Abramov) 0.3828427E-02 Vb(Abramov) -0.2578815E-02 Hb(Abramov) 0.1249612E-02 Ex_ueg -0.6593352E-03 Ec_ueg -0.1540052E-03 Delta_ex -0.7098262E-03 Delta_ec 0.9252537E-04 Delta_et -0.7277710E-03 Pxc 0.4281252E+01 Qxc -0.7671693E+01 3,+3 80 3 +3 -2.309923 0.022098 0.003314 Rho 0.4577532E-02 |GRAD(Rho)| 0.3606960E-17 GRAD(Rho)x 0.1523417E-17 GRAD(Rho)y -0.2533585E-17 GRAD(Rho)z -0.2066473E-17 Laplacian 0.1865558E-01 (-1/4)Del**2(Rho)) -0.4663894E-02 Diamond 0.1536480E-03 Metallicity 0.4661476E+00 Ellipticity -0.3605975E+00 Gb(Abramov) 0.3471607E-02 Vb(Abramov) -0.2279319E-02 Hb(Abramov) 0.1192288E-02 Ex_ueg -0.5613412E-03 Ec_ueg -0.1287778E-03 Delta_ex -0.6688770E-03 Delta_ec 0.1534144E-03 Delta_et -0.9883703E-03 Pxc 0.4358990E+01 Qxc -0.4359937E+01 3,+3 81 3 +1 -0.559734 1.701458 -0.558600 Rho 0.7812653E-02 |GRAD(Rho)| 0.4476922E-14 GRAD(Rho)x 0.8334136E-15 GRAD(Rho)y -0.2910278E-14 GRAD(Rho)z 0.3298262E-14 Laplacian 0.2895682E-01 (-1/4)Del**2(Rho)) -0.7239204E-02 Diamond 0.6792394E-03 Metallicity 0.7320261E+00 Ellipticity -0.1463437E+01 Gb(Abramov) 0.5709351E-02 Vb(Abramov) -0.4179497E-02 Hb(Abramov) 0.1529854E-02 Ex_ueg -0.1144941E-02 Ec_ueg -0.2698909E-03 Delta_ex -0.1290878E-02 Delta_ec 0.4068373E-03 Delta_et -0.2713221E-02 Pxc 0.4242236E+01 Qxc -0.3172958E+01 3,+1 82 3 -1 -2.004393 -3.003514 -0.850967 Rho 0.1475532E+00 |GRAD(Rho)| 0.1616201E-15 GRAD(Rho)x 0.5355959E-16 GRAD(Rho)y -0.1003158E-15 GRAD(Rho)z -0.1148441E-15 Laplacian 0.5791419E+00 (-1/4)Del**2(Rho)) -0.1447855E+00 Diamond 0.1148083E+01 Metallicity 0.4902404E+01 Ellipticity 0.4908030E-01 Gb(Abramov) 0.2148231E+00 Vb(Abramov) -0.2848608E+00 Hb(Abramov) -0.7003766E-01 Ex_ueg -0.5758594E-01 Ec_ueg -0.8287066E-02 Delta_ex -0.6191733E-01 Delta_ec 0.1470706E-01 Delta_et -0.1952220E+00 Pxc 0.6948893E+01 Qxc -0.4210040E+01 3,-1 83 3 -1 -2.017759 -0.860331 -2.987431 Rho 0.1325372E+00 |GRAD(Rho)| 0.2076643E-15 GRAD(Rho)x -0.6791171E-16 GRAD(Rho)y -0.1846125E-15 GRAD(Rho)z 0.6656324E-16 Laplacian 0.5207507E+00 (-1/4)Del**2(Rho)) -0.1301877E+00 Diamond 0.9084337E+00 Metallicity 0.4559104E+01 Ellipticity 0.3486766E-01 Gb(Abramov) 0.1857150E+00 Vb(Abramov) -0.2412423E+00 Hb(Abramov) -0.5552731E-01 Ex_ueg -0.4990784E-01 Ec_ueg -0.7335199E-02 Delta_ex -0.5424897E-01 Delta_ec 0.1359555E-01 Delta_et -0.1776246E+00 Pxc 0.6803883E+01 Qxc -0.3990199E+01 3,-1 84 3 -1 -1.815333 -0.552040 2.769110 Rho 0.1353133E+00 |GRAD(Rho)| 0.2898957E-13 GRAD(Rho)x 0.2508321E-13 GRAD(Rho)y -0.1917384E-14 GRAD(Rho)z -0.1440664E-13 Laplacian 0.5670551E+00 (-1/4)Del**2(Rho)) -0.1417638E+00 Diamond 0.1012653E+01 Metallicity 0.4333996E+01 Ellipticity 0.1047267E-01 Gb(Abramov) 0.1969098E+00 Vb(Abramov) -0.2520558E+00 Hb(Abramov) -0.5514602E-01 Ex_ueg -0.5130648E-01 Ec_ueg -0.7510088E-02 Delta_ex -0.5935280E-01 Delta_ec 0.1470003E-01 Delta_et -0.1926212E+00 Pxc 0.6831675E+01 Qxc -0.4037596E+01 3,-1 85 3 +1 -1.048822 1.438318 2.212626 Rho 0.2504614E-01 |GRAD(Rho)| 0.9381782E-14 GRAD(Rho)x -0.5761376E-14 GRAD(Rho)y 0.6832100E-14 GRAD(Rho)z -0.2854258E-14 Laplacian 0.9546500E-01 (-1/4)Del**2(Rho)) -0.2386625E-01 Diamond 0.1080766E-01 Metallicity 0.1547641E+01 Ellipticity -0.2343529E+01 Gb(Abramov) 0.2206690E-01 Vb(Abramov) -0.2026755E-01 Hb(Abramov) 0.1799350E-02 Ex_ueg -0.5412187E-02 Ec_ueg -0.1091038E-02 Delta_ex -0.5755089E-02 Delta_ec 0.1289236E-02 Delta_et -0.1146173E-01 Pxc 0.4960587E+01 Qxc -0.4463954E+01 3,+1 86 3 +1 -0.532024 -0.532844 1.653929 Rho 0.8984311E-02 |GRAD(Rho)| 0.3968987E-12 GRAD(Rho)x 0.3062423E-12 GRAD(Rho)y 0.1213612E-12 GRAD(Rho)z 0.2213949E-12 Laplacian 0.3508801E-01 (-1/4)Del**2(Rho)) -0.8772001E-02 Diamond 0.1013830E-02 Metallicity 0.7625396E+00 Ellipticity -0.1483150E+01 Gb(Abramov) 0.6962834E-02 Vb(Abramov) -0.5153667E-02 Hb(Abramov) 0.1809167E-02 Ex_ueg -0.1379425E-02 Ec_ueg -0.3222078E-03 Delta_ex -0.1628127E-02 Delta_ec 0.5067714E-03 Delta_et -0.3492422E-02 Pxc 0.4281165E+01 Qxc -0.3212744E+01 3,+1 87 3 +1 -1.245317 -1.225598 -2.172754 Rho 0.2847735E-01 |GRAD(Rho)| 0.8764370E-16 GRAD(Rho)x 0.7177392E-16 GRAD(Rho)y 0.1857502E-16 GRAD(Rho)z -0.4674283E-16 Laplacian 0.1182756E+00 (-1/4)Del**2(Rho)) -0.2956890E-01 Diamond 0.2088022E-01 Metallicity 0.1547215E+01 Ellipticity -0.1493945E+02 Gb(Abramov) 0.2733750E-01 Vb(Abramov) -0.2510611E-01 Hb(Abramov) 0.2231395E-02 Ex_ueg -0.6422701E-02 Ec_ueg -0.1265338E-02 Delta_ex -0.7834123E-02 Delta_ec 0.2393654E-02 Delta_et -0.2175406E-01 Pxc 0.5075879E+01 Qxc -0.3272871E+01 3,+1 88 3 -1 -1.743151 1.766363 0.535724 Rho 0.4115097E-01 |GRAD(Rho)| 0.1838490E-14 GRAD(Rho)x 0.9901544E-15 GRAD(Rho)y 0.9762186E-15 GRAD(Rho)z -0.1202762E-14 Laplacian 0.1765659E+00 (-1/4)Del**2(Rho)) -0.4414147E-01 Diamond 0.7391313E-01 Metallicity 0.1914284E+01 Ellipticity 0.1877527E-01 Gb(Abramov) 0.4351087E-01 Vb(Abramov) -0.4288027E-01 Hb(Abramov) 0.6306032E-03 Ex_ueg -0.1049281E-01 Ec_ueg -0.1931913E-02 Delta_ex -0.1413509E-01 Delta_ec 0.5790065E-02 Delta_et -0.5805421E-01 Pxc 0.5431306E+01 Qxc -0.2441266E+01 3,-1 89 3 -1 -1.844942 0.571264 -2.833941 Rho 0.1654679E+00 |GRAD(Rho)| 0.2846788E-12 GRAD(Rho)x -0.2228084E-12 GRAD(Rho)y -0.1730500E-12 GRAD(Rho)z 0.3810690E-13 Laplacian 0.6805363E+00 (-1/4)Del**2(Rho)) -0.1701341E+00 Diamond 0.1536610E+01 Metallicity 0.5049923E+01 Ellipticity 0.1546293E-01 Gb(Abramov) 0.2566167E+00 Vb(Abramov) -0.3430993E+00 Hb(Abramov) -0.8648263E-01 Ex_ueg -0.6709189E-01 Ec_ueg -0.9440926E-02 Delta_ex -0.7474821E-01 Delta_ec 0.1661046E-01 Delta_et -0.2233445E+00 Pxc 0.7106495E+01 Qxc -0.4500069E+01 3,-1 90 3 +1 -0.168229 0.172359 2.944495 Rho 0.5351851E-02 |GRAD(Rho)| 0.1751002E-17 GRAD(Rho)x 0.1234506E-17 GRAD(Rho)y -0.2152129E-18 GRAD(Rho)z 0.1222982E-17 Laplacian 0.2124579E-01 (-1/4)Del**2(Rho)) -0.5311446E-02 Diamond 0.5068253E-03 Metallicity 0.5311051E+00 Ellipticity -0.2805462E+01 Gb(Abramov) 0.4011120E-02 Vb(Abramov) -0.2710794E-02 Hb(Abramov) 0.1300326E-02 Ex_ueg -0.6913911E-03 Ec_ueg -0.1620857E-03 Delta_ex -0.1039754E-02 Delta_ec 0.6144029E-03 Delta_et -0.3427420E-02 Pxc 0.4265590E+01 Qxc -0.1692301E+01 3,+1 91 3 +1 -1.141822 -2.178913 -1.316751 Rho 0.2733224E-01 |GRAD(Rho)| 0.1486690E-16 GRAD(Rho)x 0.2028672E-17 GRAD(Rho)y 0.1279515E-16 GRAD(Rho)z 0.7293364E-17 Laplacian 0.1088490E+00 (-1/4)Del**2(Rho)) -0.2721225E-01 Diamond 0.1671414E-01 Metallicity 0.1570052E+01 Ellipticity -0.5026691E+01 Gb(Abramov) 0.2526228E-01 Vb(Abramov) -0.2331230E-01 Hb(Abramov) 0.1949975E-02 Ex_ueg -0.6080678E-02 Ec_ueg -0.1206841E-02 Delta_ex -0.6993035E-02 Delta_ec 0.1953376E-02 Delta_et -0.1760266E-01 Pxc 0.5038509E+01 Qxc -0.3579975E+01 3,+1 92 3 -1 -2.029618 0.852008 3.046288 Rho 0.1612737E+00 |GRAD(Rho)| 0.7969636E-12 GRAD(Rho)x -0.4642110E-12 GRAD(Rho)y -0.5635276E-12 GRAD(Rho)z -0.3195243E-12 Laplacian 0.6267828E+00 (-1/4)Del**2(Rho)) -0.1566957E+00 Diamond 0.1380047E+01 Metallicity 0.5253338E+01 Ellipticity 0.4285529E-01 Gb(Abramov) 0.2416597E+00 Vb(Abramov) -0.3266238E+00 Hb(Abramov) -0.8496403E-01 Ex_ueg -0.6483405E-01 Ec_ueg -0.9169057E-02 Delta_ex -0.6847529E-01 Delta_ec 0.1552522E-01 Delta_et -0.2084363E+00 Pxc 0.7070962E+01 Qxc -0.4410585E+01 3,-1 93 3 +1 -1.804873 1.765517 -1.801337 Rho 0.1137310E-01 |GRAD(Rho)| 0.1957583E-16 GRAD(Rho)x -0.4804072E-17 GRAD(Rho)y -0.1577687E-16 GRAD(Rho)z -0.1054630E-16 Laplacian 0.5354175E-01 (-1/4)Del**2(Rho)) -0.1338544E-01 Diamond 0.1922380E-02 Metallicity 0.7402620E+00 Ellipticity -0.1266529E+01 Gb(Abramov) 0.1057508E-01 Vb(Abramov) -0.7764722E-02 Hb(Abramov) 0.2810357E-02 Ex_ueg -0.1888964E-02 Ec_ueg -0.4307070E-03 Delta_ex -0.2572894E-02 Delta_ec 0.6556741E-03 Delta_et -0.4883237E-02 Pxc 0.4385727E+01 Qxc -0.3924044E+01 3,+1 94 3 +3 0.013678 0.013070 2.329495 Rho 0.4592994E-02 |GRAD(Rho)| 0.2805573E-11 GRAD(Rho)x -0.2734294E-11 GRAD(Rho)y -0.4429486E-12 GRAD(Rho)z -0.4457264E-12 Laplacian 0.1847469E-01 (-1/4)Del**2(Rho)) -0.4618672E-02 Diamond 0.1590256E-03 Metallicity 0.4733647E+00 Ellipticity -0.3018268E+00 Gb(Abramov) 0.3443500E-02 Vb(Abramov) -0.2268329E-02 Hb(Abramov) 0.1175171E-02 Ex_ueg -0.5638707E-03 Ec_ueg -0.1294399E-03 Delta_ex -0.6693857E-03 Delta_ec 0.1633793E-03 Delta_et -0.1035510E-02 Pxc 0.4356235E+01 Qxc -0.4097128E+01 3,+3 95 3 -1 -1.809374 -2.780351 0.559894 Rho 0.1466016E+00 |GRAD(Rho)| 0.2975084E-15 GRAD(Rho)x 0.2959601E-15 GRAD(Rho)y -0.2212450E-16 GRAD(Rho)z 0.2072181E-16 Laplacian 0.6124633E+00 (-1/4)Del**2(Rho)) -0.1531158E+00 Diamond 0.1199971E+01 Metallicity 0.4585966E+01 Ellipticity 0.1508622E-01 Gb(Abramov) 0.2191079E+00 Vb(Abramov) -0.2850999E+00 Hb(Abramov) -0.6599205E-01 Ex_ueg -0.5709130E-01 Ec_ueg -0.8226322E-02 Delta_ex -0.6532697E-01 Delta_ec 0.1549072E-01 Delta_et -0.2052401E+00 Pxc 0.6940076E+01 Qxc -0.4217169E+01 3,-1 96 3 +1 -0.531487 -1.666382 0.535143 Rho 0.8555328E-02 |GRAD(Rho)| 0.1670295E-14 GRAD(Rho)x 0.1096759E-14 GRAD(Rho)y 0.1251547E-14 GRAD(Rho)z -0.1436416E-15 Laplacian 0.3331993E-01 (-1/4)Del**2(Rho)) -0.8329984E-02 Diamond 0.8881745E-03 Metallicity 0.7401223E+00 Ellipticity -0.1448313E+01 Gb(Abramov) 0.6580857E-02 Vb(Abramov) -0.4831730E-02 Hb(Abramov) 0.1749127E-02 Ex_ueg -0.1292312E-02 Ec_ueg -0.3029818E-03 Delta_ex -0.1521448E-02 Delta_ec 0.4711311E-03 Delta_et -0.3214007E-02 Pxc 0.4265311E+01 Qxc -0.3229353E+01 3,+1 97 3 -1 -0.860274 -2.016507 -2.987759 Rho 0.1328498E+00 |GRAD(Rho)| 0.1678028E-13 GRAD(Rho)x 0.1277425E-13 GRAD(Rho)y -0.9277464E-14 GRAD(Rho)z 0.5685502E-14 Laplacian 0.5223429E+00 (-1/4)Del**2(Rho)) -0.1305857E+00 Diamond 0.9137938E+00 Metallicity 0.4563087E+01 Ellipticity 0.3531634E-01 Gb(Abramov) 0.1863695E+00 Vb(Abramov) -0.2421533E+00 Hb(Abramov) -0.5578377E-01 Ex_ueg -0.5006483E-01 Ec_ueg -0.7354865E-02 Delta_ex -0.5444584E-01 Delta_ec 0.1362941E-01 Delta_et -0.1781335E+00 Pxc 0.6807036E+01 Qxc -0.3994733E+01 3,-1 98 3 +1 -1.135803 2.210545 1.371914 Rho 0.2534702E-01 |GRAD(Rho)| 0.4776492E-16 GRAD(Rho)x 0.4337593E-17 GRAD(Rho)y -0.4542090E-16 GRAD(Rho)z -0.1412851E-16 Laplacian 0.9476287E-01 (-1/4)Del**2(Rho)) -0.2369072E-01 Diamond 0.1301984E-01 Metallicity 0.1590449E+01 Ellipticity -0.6484486E+01 Gb(Abramov) 0.2207363E-01 Vb(Abramov) -0.2045654E-01 Hb(Abramov) 0.1617091E-02 Ex_ueg -0.5499050E-02 Ec_ueg -0.1106202E-02 Delta_ex -0.5956906E-02 Delta_ec 0.1682002E-02 Delta_et -0.1488102E-01 Pxc 0.4971108E+01 Qxc -0.3541556E+01 3,+1 99 3 -1 -1.851647 2.849878 -0.593786 Rho 0.1367679E+00 |GRAD(Rho)| 0.4175294E-13 GRAD(Rho)x -0.2977740E-13 GRAD(Rho)y -0.5920327E-14 GRAD(Rho)z 0.2866294E-13 Laplacian 0.5745209E+00 (-1/4)Del**2(Rho)) -0.1436302E+00 Diamond 0.1066849E+01 Metallicity 0.4354591E+01 Ellipticity 0.1753330E-01 Gb(Abramov) 0.1999953E+00 Vb(Abramov) -0.2563604E+00 Hb(Abramov) -0.5636508E-01 Ex_ueg -0.5204317E-01 Ec_ueg -0.7601925E-02 Delta_ex -0.6060149E-01 Delta_ec 0.1541022E-01 Delta_et -0.2033823E+00 Pxc 0.6846052E+01 Qxc -0.3932551E+01 3,-1 100 3 -1 -0.879528 3.059117 2.036301 Rho 0.1202270E+00 |GRAD(Rho)| 0.1028662E-15 GRAD(Rho)x 0.9721228E-16 GRAD(Rho)y 0.1407430E-16 GRAD(Rho)z -0.3054740E-16 Laplacian 0.4928591E+00 (-1/4)Del**2(Rho)) -0.1232148E+00 Diamond 0.7805973E+00 Metallicity 0.4094749E+01 Ellipticity 0.7285590E-02 Gb(Abramov) 0.1662321E+00 Vb(Abramov) -0.2092495E+00 Hb(Abramov) -0.4301734E-01 Ex_ueg -0.4382493E-01 Ec_ueg -0.6565853E-02 Delta_ex -0.5036746E-01 Delta_ec 0.1354741E-01 Delta_et -0.1747749E+00 Pxc 0.6674675E+01 Qxc -0.3717866E+01 3,-1 101 3 +1 0.552921 0.552092 1.687956 Rho 0.8382284E-02 |GRAD(Rho)| 0.7359362E-13 GRAD(Rho)x 0.4778104E-14 GRAD(Rho)y 0.5660074E-13 GRAD(Rho)z 0.4679259E-13 Laplacian 0.3105041E-01 (-1/4)Del**2(Rho)) -0.7762602E-02 Diamond 0.7987702E-03 Metallicity 0.7676262E+00 Ellipticity -0.1490501E+01 Gb(Abramov) 0.6168198E-02 Vb(Abramov) -0.4573793E-02 Hb(Abramov) 0.1594405E-02 Ex_ueg -0.1257578E-02 Ec_ueg -0.2952494E-03 Delta_ex -0.1407636E-02 Delta_ec 0.4338942E-03 Delta_et -0.2948628E-02 Pxc 0.4259374E+01 Qxc -0.3244192E+01 3,+1 102 3 -1 -0.551623 -1.815424 2.769775 Rho 0.1348147E+00 |GRAD(Rho)| 0.1079829E-12 GRAD(Rho)x -0.1025475E-12 GRAD(Rho)y -0.4802338E-14 GRAD(Rho)z -0.3348486E-13 Laplacian 0.5647255E+00 (-1/4)Del**2(Rho)) -0.1411814E+00 Diamond 0.1004049E+01 Metallicity 0.4325182E+01 Ellipticity 0.1039445E-01 Gb(Abramov) 0.1958934E+00 Vb(Abramov) -0.2506055E+00 Hb(Abramov) -0.5471207E-01 Ex_ueg -0.5105457E-01 Ec_ueg -0.7478640E-02 Delta_ex -0.5905629E-01 Delta_ec 0.1465311E-01 Delta_et -0.1918969E+00 Pxc 0.6826718E+01 Qxc -0.4030290E+01 3,-1 103 3 +3 0.041676 0.039425 -2.373289 Rho 0.4055624E-02 |GRAD(Rho)| 0.7472920E-14 GRAD(Rho)x -0.6403876E-14 GRAD(Rho)y 0.1966605E-14 GRAD(Rho)z 0.3311702E-14 Laplacian 0.1622057E-01 (-1/4)Del**2(Rho)) -0.4055142E-02 Diamond 0.1169528E-03 Metallicity 0.4381705E+00 Ellipticity -0.3413038E+00 Gb(Abramov) 0.2999569E-02 Vb(Abramov) -0.1943995E-02 Hb(Abramov) 0.1055573E-02 Ex_ueg -0.4776707E-03 Ec_ueg -0.1065016E-03 Delta_ex -0.5681075E-03 Delta_ec 0.1412972E-03 Delta_et -0.8725437E-03 Pxc 0.4485104E+01 Qxc -0.4020655E+01 3,+3 104 3 +1 -0.521238 0.580968 -1.709554 Rho 0.7664131E-02 |GRAD(Rho)| 0.1503842E-16 GRAD(Rho)x 0.3293358E-17 GRAD(Rho)y 0.1090816E-16 GRAD(Rho)z -0.9814276E-17 Laplacian 0.2909255E-01 (-1/4)Del**2(Rho)) -0.7273138E-02 Diamond 0.6707655E-03 Metallicity 0.7056720E+00 Ellipticity -0.1437480E+01 Gb(Abramov) 0.5704167E-02 Vb(Abramov) -0.4135196E-02 Hb(Abramov) 0.1568971E-02 Ex_ueg -0.1116012E-02 Ec_ueg -0.2633033E-03 Delta_ex -0.1293821E-02 Delta_ec 0.4143128E-03 Delta_et -0.2744705E-02 Pxc 0.4238504E+01 Qxc -0.3122812E+01 3,+1 105 3 +1 0.542724 1.704259 0.576824 Rho 0.8083572E-02 |GRAD(Rho)| 0.6139155E-16 GRAD(Rho)x 0.4349989E-16 GRAD(Rho)y -0.2878589E-20 GRAD(Rho)z -0.4332069E-16 Laplacian 0.3049828E-01 (-1/4)Del**2(Rho)) -0.7624571E-02 Diamond 0.7536965E-03 Metallicity 0.7356591E+00 Ellipticity -0.1462930E+01 Gb(Abramov) 0.6017895E-02 Vb(Abramov) -0.4411218E-02 Hb(Abramov) 0.1606676E-02 Ex_ueg -0.1198182E-02 Ec_ueg -0.2819332E-03 Delta_ex -0.1373408E-02 Delta_ec 0.4322656E-03 Delta_et -0.2905180E-02 Pxc 0.4249878E+01 Qxc -0.3177233E+01 3,+1 106 3 -1 -0.470025 0.482535 0.487050 Rho 0.1834820E+00 |GRAD(Rho)| 0.2804464E-15 GRAD(Rho)x 0.7632783E-16 GRAD(Rho)y -0.2671474E-15 GRAD(Rho)z 0.3816392E-16 Laplacian 0.4924906E+00 (-1/4)Del**2(Rho)) -0.1231227E+00 Diamond 0.1293324E+01 Metallicity 0.8289678E+01 Ellipticity 0.4707074E-02 Gb(Abramov) 0.2521896E+00 Vb(Abramov) -0.3812566E+00 Hb(Abramov) -0.1290670E+00 Ex_ueg -0.7700336E-01 Ec_ueg -0.1062030E-01 Delta_ex -0.5577869E-01 Delta_ec 0.1216655E-01 Delta_et -0.1668679E+00 Pxc 0.7250584E+01 Qxc -0.4584595E+01 3,-1 107 3 +1 2.210520 -1.131021 1.378206 Rho 0.2536710E-01 |GRAD(Rho)| 0.7276757E-15 GRAD(Rho)x 0.3718844E-15 GRAD(Rho)y 0.3536681E-15 GRAD(Rho)z 0.5158805E-15 Laplacian 0.9470197E-01 (-1/4)Del**2(Rho)) -0.2367549E-01 Diamond 0.1290436E-01 Metallicity 0.1593574E+01 Ellipticity -0.5892933E+01 Gb(Abramov) 0.2207177E-01 Vb(Abramov) -0.2046805E-01 Hb(Abramov) 0.1603722E-02 Ex_ueg -0.5504860E-02 Ec_ueg -0.1107215E-02 Delta_ex -0.5941410E-02 Delta_ec 0.1657856E-02 Delta_et -0.1467515E-01 Pxc 0.4971807E+01 Qxc -0.3583792E+01 3,+1 108 3 +1 0.137886 0.136312 -3.037350 Rho 0.4827041E-02 |GRAD(Rho)| 0.2478577E-12 GRAD(Rho)x 0.2076582E-12 GRAD(Rho)y 0.1200599E-12 GRAD(Rho)z -0.6242711E-13 Laplacian 0.1881605E-01 (-1/4)Del**2(Rho)) -0.4704014E-02 Diamond 0.3860112E-03 Metallicity 0.5049165E+00 Ellipticity -0.2357712E+01 Gb(Abramov) 0.3531865E-02 Vb(Abramov) -0.2359716E-02 Hb(Abramov) 0.1172149E-02 Ex_ueg -0.6025037E-03 Ec_ueg -0.1394773E-03 Delta_ex -0.8975705E-03 Delta_ec 0.5360313E-03 Delta_et -0.2903391E-02 Pxc 0.4319727E+01 Qxc -0.1674474E+01 3,+1 109 3 -1 -0.853226 -3.004173 -1.993139 Rho 0.1202836E+00 |GRAD(Rho)| 0.1677163E-15 GRAD(Rho)x -0.1385475E-15 GRAD(Rho)y -0.4010870E-16 GRAD(Rho)z 0.8558421E-16 Laplacian 0.4718460E+00 (-1/4)Del**2(Rho)) -0.1179615E+00 Diamond 0.7331583E+00 Metallicity 0.4280456E+01 Ellipticity 0.2593362E-01 Gb(Abramov) 0.1627958E+00 Vb(Abramov) -0.2076302E+00 Hb(Abramov) -0.4483433E-01 Ex_ueg -0.4385241E-01 Ec_ueg -0.6569362E-02 Delta_ex -0.4803046E-01 Delta_ec 0.1262033E-01 Delta_et -0.1622685E+00 Pxc 0.6675292E+01 Qxc -0.3805801E+01 3,-1 110 3 -1 -0.553765 -2.787079 1.813443 Rho 0.1247318E+00 |GRAD(Rho)| 0.1470011E-15 GRAD(Rho)x -0.1178663E-15 GRAD(Rho)y -0.7777118E-16 GRAD(Rho)z -0.4084732E-16 Laplacian 0.5184659E+00 (-1/4)Del**2(Rho)) -0.1296165E+00 Diamond 0.8422789E+00 Metallicity 0.4138614E+01 Ellipticity 0.9098515E-02 Gb(Abramov) 0.1758164E+00 Vb(Abramov) -0.2220164E+00 Hb(Abramov) -0.4619994E-01 Ex_ueg -0.4602792E-01 Ec_ueg -0.6846198E-02 Delta_ex -0.5324573E-01 Delta_ec 0.1376614E-01 Delta_et -0.1781337E+00 Pxc 0.6723136E+01 Qxc -0.3867876E+01 3,-1 111 3 -1 -0.587547 1.828063 -2.850219 Rho 0.1007681E+00 |GRAD(Rho)| 0.2564755E-13 GRAD(Rho)x -0.2506421E-13 GRAD(Rho)y 0.3598853E-14 GRAD(Rho)z -0.4078064E-14 Laplacian 0.4347601E+00 (-1/4)Del**2(Rho)) -0.1086900E+00 Diamond 0.5678342E+00 Metallicity 0.3458615E+01 Ellipticity 0.2310093E-01 Gb(Abramov) 0.1351128E+00 Vb(Abramov) -0.1615357E+00 Hb(Abramov) -0.2642282E-01 Ex_ueg -0.3463241E-01 Ec_ueg -0.5371607E-02 Delta_ex -0.4281828E-01 Delta_ec 0.1277081E-01 Delta_et -0.1597071E+00 Pxc 0.6447309E+01 Qxc -0.3352825E+01 3,-1 112 3 -1 -0.528308 1.756842 1.747758 Rho 0.4126812E-01 |GRAD(Rho)| 0.1868616E-13 GRAD(Rho)x -0.1403525E-13 GRAD(Rho)y 0.2724335E-14 GRAD(Rho)z -0.1203173E-13 Laplacian 0.1764020E+00 (-1/4)Del**2(Rho)) -0.4410050E-01 Diamond 0.7404773E-01 Metallicity 0.1925163E+01 Ellipticity 0.2357207E-01 Gb(Abramov) 0.4355045E-01 Vb(Abramov) -0.4300039E-01 Hb(Abramov) 0.5500584E-03 Ex_ueg -0.1053266E-01 Ec_ueg -0.1938221E-02 Delta_ex -0.1412715E-01 Delta_ec 0.5776402E-02 Delta_et -0.5796142E-01 Pxc 0.5434188E+01 Qxc -0.2445666E+01 3,-1 113 3 -1 -0.878027 2.000261 3.047853 Rho 0.1021418E+00 |GRAD(Rho)| 0.4715654E-14 GRAD(Rho)x 0.2012781E-14 GRAD(Rho)y 0.3740003E-14 GRAD(Rho)z 0.2049020E-14 Laplacian 0.4195023E+00 (-1/4)Del**2(Rho)) -0.1048756E+00 Diamond 0.5542989E+00 Metallicity 0.3666216E+01 Ellipticity 0.3515315E-02 Gb(Abramov) 0.1339998E+00 Vb(Abramov) -0.1631240E+00 Hb(Abramov) -0.2912423E-01 Ex_ueg -0.3526331E-01 Ec_ueg -0.5454977E-02 Delta_ex -0.4140084E-01 Delta_ec 0.1220852E-01 Delta_et -0.1530061E+00 Pxc 0.6464429E+01 Qxc -0.3391143E+01 3,-1 114 3 -1 -0.587724 2.844396 -1.863054 Rho 0.1239118E+00 |GRAD(Rho)| 0.3950474E-15 GRAD(Rho)x 0.1724017E-15 GRAD(Rho)y -0.1022267E-15 GRAD(Rho)z -0.3404259E-15 Laplacian 0.5323271E+00 (-1/4)Del**2(Rho)) -0.1330818E+00 Diamond 0.8786243E+00 Metallicity 0.3986783E+01 Ellipticity 0.1718125E-01 Gb(Abramov) 0.1771492E+00 Vb(Abramov) -0.2212166E+00 Hb(Abramov) -0.4406743E-01 Ex_ueg -0.4562492E-01 Ec_ueg -0.6795065E-02 Delta_ex -0.5484840E-01 Delta_ec 0.1463014E-01 Delta_et -0.1899223E+00 Pxc 0.6714420E+01 Qxc -0.3749000E+01 3,-1 115 3 -1 -0.511085 -1.730274 -1.741792 Rho 0.4493886E-01 |GRAD(Rho)| 0.3678546E-14 GRAD(Rho)x -0.1841369E-14 GRAD(Rho)y -0.3173812E-14 GRAD(Rho)z -0.2607239E-15 Laplacian 0.1794661E+00 (-1/4)Del**2(Rho)) -0.4486652E-01 Diamond 0.7799633E-01 Metallicity 0.2181060E+01 Ellipticity 0.1963479E-01 Gb(Abramov) 0.4622044E-01 Vb(Abramov) -0.4757436E-01 Hb(Abramov) -0.1353921E-02 Ex_ueg -0.1179998E-01 Ec_ueg -0.2137084E-02 Delta_ex -0.1434768E-01 Delta_ec 0.5290025E-02 Delta_et -0.5422466E-01 Pxc 0.5521531E+01 Qxc -0.2712214E+01 3,-1 116 3 +3 1.144684 1.144627 1.127449 Rho 0.4936301E-02 |GRAD(Rho)| 0.8157841E-13 GRAD(Rho)x 0.5700735E-13 GRAD(Rho)y 0.5701028E-13 GRAD(Rho)z -0.1245103E-13 Laplacian 0.1825252E-01 (-1/4)Del**2(Rho)) -0.4563130E-02 Diamond 0.1219416E-03 Metallicity 0.5402893E+00 Ellipticity -0.1490097E+00 Gb(Abramov) 0.3452989E-02 Vb(Abramov) -0.2342847E-02 Hb(Abramov) 0.1110142E-02 Ex_ueg -0.6207555E-03 Ec_ueg -0.1441726E-03 Delta_ex -0.6252523E-03 Delta_ec 0.7483390E-04 Delta_et -0.6072503E-03 Pxc 0.4305641E+01 Qxc -0.8355202E+01 3,+3 117 3 +1 0.550279 -1.696642 -0.518958 Rho 0.8146862E-02 |GRAD(Rho)| 0.1002274E-14 GRAD(Rho)x -0.6299516E-15 GRAD(Rho)y 0.7255589E-15 GRAD(Rho)z 0.2850942E-15 Laplacian 0.3129133E-01 (-1/4)Del**2(Rho)) -0.7822833E-02 Diamond 0.7790436E-03 Metallicity 0.7263954E+00 Ellipticity -0.1442357E+01 Gb(Abramov) 0.6162300E-02 Vb(Abramov) -0.4501768E-02 Hb(Abramov) 0.1660533E-02 Ex_ueg -0.1210707E-02 Ec_ueg -0.2847513E-03 Delta_ex -0.1410674E-02 Delta_ec 0.4413382E-03 Delta_et -0.2973919E-02 Pxc 0.4251803E+01 Qxc -0.3196355E+01 3,+1 118 3 -1 0.071409 3.262478 3.267290 Rho 0.2083710E+00 |GRAD(Rho)| 0.1426624E-15 GRAD(Rho)x 0.3628012E-16 GRAD(Rho)y 0.7518942E-16 GRAD(Rho)z 0.1156844E-15 Laplacian 0.7828990E+00 (-1/4)Del**2(Rho)) -0.1957247E+00 Diamond 0.2337221E+01 Metallicity 0.6446186E+01 Ellipticity 0.6030684E-02 Gb(Abramov) 0.3407628E+00 Vb(Abramov) -0.4858009E+00 Hb(Abramov) -0.1450381E+00 Ex_ueg -0.9123638E-01 Ec_ueg -0.1228016E-01 Delta_ex -0.9119766E-01 Delta_ec 0.1802522E-01 Delta_et -0.2478958E+00 Pxc 0.7429577E+01 Qxc -0.5059448E+01 3,-1 119 3 -1 0.600518 2.842413 1.820864 Rho 0.1170936E+00 |GRAD(Rho)| 0.5987323E-13 GRAD(Rho)x -0.3923650E-13 GRAD(Rho)y -0.8382933E-14 GRAD(Rho)z 0.4444127E-13 Laplacian 0.5009537E+00 (-1/4)Del**2(Rho)) -0.1252384E+00 Diamond 0.7781792E+00 Metallicity 0.3855117E+01 Ellipticity 0.1676038E-01 Gb(Abramov) 0.1639604E+00 Vb(Abramov) -0.2026824E+00 Hb(Abramov) -0.3872199E-01 Ex_ueg -0.4230867E-01 Ec_ueg -0.6371682E-02 Delta_ex -0.5100829E-01 Delta_ec 0.1409047E-01 Delta_et -0.1812796E+00 Pxc 0.6640109E+01 Qxc -0.3620057E+01 3,-1 120 3 -1 -0.042054 3.281658 -3.270411 Rho 0.2088183E+00 |GRAD(Rho)| 0.2869037E-13 GRAD(Rho)x 0.4937646E-14 GRAD(Rho)y -0.2020741E-13 GRAD(Rho)z 0.1975899E-13 Laplacian 0.7830664E+00 (-1/4)Del**2(Rho)) -0.1957666E+00 Diamond 0.2345447E+01 Metallicity 0.6467885E+01 Ellipticity 0.6216095E-02 Gb(Abramov) 0.3415437E+00 Vb(Abramov) -0.4873208E+00 Hb(Abramov) -0.1457771E+00 Ex_ueg -0.9149764E-01 Ec_ueg -0.1231031E-01 Delta_ex -0.9127826E-01 Delta_ec 0.1803764E-01 Delta_et -0.2481750E+00 Pxc 0.7432603E+01 Qxc -0.5060432E+01 3,-1 121 3 -1 1.762869 0.544447 -1.746337 Rho 0.3955055E-01 |GRAD(Rho)| 0.1071082E-12 GRAD(Rho)x -0.1009862E-12 GRAD(Rho)y -0.3043702E-13 GRAD(Rho)z 0.1864284E-13 Laplacian 0.1687271E+00 (-1/4)Del**2(Rho)) -0.4218178E-01 Diamond 0.6677342E-01 Metallicity 0.1875063E+01 Ellipticity 0.2075243E-01 Gb(Abramov) 0.4130344E-01 Vb(Abramov) -0.4042509E-01 Hb(Abramov) 0.8783449E-03 Ex_ueg -0.9952262E-02 Ec_ueg -0.1845981E-02 Delta_ex -0.1336903E-01 Delta_ec 0.5518048E-02 Delta_et -0.5472469E-01 Pxc 0.5391313E+01 Qxc -0.2422783E+01 3,-1 122 3 -1 -0.457975 -0.459258 -0.465003 Rho 0.1793273E+00 |GRAD(Rho)| 0.1338941E-14 GRAD(Rho)x 0.5585810E-15 GRAD(Rho)y 0.8534840E-15 GRAD(Rho)z 0.8673617E-15 Laplacian 0.4704734E+00 (-1/4)Del**2(Rho)) -0.1176183E+00 Diamond 0.1208839E+01 Metallicity 0.8352612E+01 Ellipticity 0.1976461E-02 Gb(Abramov) 0.2421490E+00 Vb(Abramov) -0.3666796E+00 Hb(Abramov) -0.1245306E+00 Ex_ueg -0.7468735E-01 Ec_ueg -0.1034663E-01 Delta_ex -0.5303373E-01 Delta_ec 0.1178836E-01 Delta_et -0.1615482E+00 Pxc 0.7218518E+01 Qxc -0.4498821E+01 3,-1 123 3 -1 0.483235 -0.471455 0.487285 Rho 0.1833789E+00 |GRAD(Rho)| 0.2738007E-15 GRAD(Rho)x 0.2151057E-15 GRAD(Rho)y -0.1387779E-15 GRAD(Rho)z 0.9714451E-16 Laplacian 0.4920628E+00 (-1/4)Del**2(Rho)) -0.1230157E+00 Diamond 0.1291392E+01 Metallicity 0.8289113E+01 Ellipticity 0.4747837E-02 Gb(Abramov) 0.2519590E+00 Vb(Abramov) -0.3809022E+00 Hb(Abramov) -0.1289433E+00 Ex_ueg -0.7694565E-01 Ec_ueg -0.1061349E-01 Delta_ex -0.5572286E-01 Delta_ec 0.1215863E-01 Delta_et -0.1667517E+00 Pxc 0.7249796E+01 Qxc -0.4582987E+01 3,-1 124 3 +1 0.172349 -0.168471 2.944519 Rho 0.5352340E-02 |GRAD(Rho)| 0.1201013E-12 GRAD(Rho)x 0.7905824E-13 GRAD(Rho)y -0.8344046E-13 GRAD(Rho)z 0.3481110E-13 Laplacian 0.2124308E-01 (-1/4)Del**2(Rho)) -0.5310770E-02 Diamond 0.5070788E-03 Metallicity 0.5312536E+00 Ellipticity -0.2816174E+01 Gb(Abramov) 0.4010741E-02 Vb(Abramov) -0.2710712E-02 Hb(Abramov) 0.1300029E-02 Ex_ueg -0.6914753E-03 Ec_ueg -0.1621068E-03 Delta_ex -0.1039858E-02 Delta_ec 0.6147119E-03 Delta_et -0.3429068E-02 Pxc 0.4265554E+01 Qxc -0.1691618E+01 3,+1 125 3 -1 0.002595 0.001589 2.944654 Rho 0.5387070E-02 |GRAD(Rho)| 0.1574691E-16 GRAD(Rho)x -0.1096901E-16 GRAD(Rho)y -0.1102583E-16 GRAD(Rho)z -0.2465209E-17 Laplacian 0.2089251E-01 (-1/4)Del**2(Rho)) -0.5223127E-02 Diamond 0.6004265E-03 Metallicity 0.5460222E+00 Ellipticity 0.3103863E+01 Gb(Abramov) 0.3957409E-02 Vb(Abramov) -0.2691690E-02 Hb(Abramov) 0.1265718E-02 Ex_ueg -0.6974642E-03 Ec_ueg -0.1636079E-03 Delta_ex -0.1105872E-02 Delta_ec 0.7506965E-03 Delta_et -0.4131975E-02 Pxc 0.4263024E+01 Qxc -0.1473128E+01 3,-1 126 3 -1 0.551843 -1.742971 1.746106 Rho 0.4699668E-01 |GRAD(Rho)| 0.2278113E-15 GRAD(Rho)x 0.1752282E-15 GRAD(Rho)y -0.8780005E-16 GRAD(Rho)z -0.1161214E-15 Laplacian 0.1903273E+00 (-1/4)Del**2(Rho)) -0.4758183E-01 Diamond 0.8804736E-01 Metallicity 0.2215937E+01 Ellipticity 0.1679263E-01 Gb(Abramov) 0.4929427E-01 Vb(Abramov) -0.5100672E-01 Hb(Abramov) -0.1712444E-02 Ex_ueg -0.1252587E-01 Ec_ueg -0.2249546E-02 Delta_ex -0.1539433E-01 Delta_ec 0.5619912E-02 Delta_et -0.5829296E-01 Pxc 0.5568177E+01 Qxc -0.2739247E+01 3,-1 127 3 -1 0.050888 -3.234375 -3.218834 Rho 0.2321011E+00 |GRAD(Rho)| 0.9172693E-11 GRAD(Rho)x 0.1210821E-11 GRAD(Rho)y -0.6522017E-11 GRAD(Rho)z -0.6335259E-11 Laplacian 0.8517706E+00 (-1/4)Del**2(Rho)) -0.2129427E+00 Diamond 0.2892564E+01 Metallicity 0.7091737E+01 Ellipticity 0.1632948E-02 Gb(Abramov) 0.3936507E+00 Vb(Abramov) -0.5743587E+00 Hb(Abramov) -0.1807080E+00 Ex_ueg -0.1053468E+00 Ec_ueg -0.1389480E-01 Delta_ex -0.1020118E+00 Delta_ec 0.1899264E-01 Delta_et -0.2627009E+00 Pxc 0.7581746E+01 Qxc -0.5371123E+01 3,-1 128 3 +1 0.196651 -2.993432 0.199044 Rho 0.5465131E-02 |GRAD(Rho)| 0.1073588E-15 GRAD(Rho)x 0.6781243E-16 GRAD(Rho)y -0.1302380E-16 GRAD(Rho)z 0.8220567E-16 Laplacian 0.2215860E-01 (-1/4)Del**2(Rho)) -0.5539649E-02 Diamond 0.4971705E-03 Metallicity 0.5273172E+00 Ellipticity -0.1933224E+01 Gb(Abramov) 0.4179958E-02 Vb(Abramov) -0.2820267E-02 Hb(Abramov) 0.1359691E-02 Ex_ueg -0.7109721E-03 Ec_ueg -0.1669839E-03 Delta_ex -0.1050616E-02 Delta_ec 0.5722681E-03 Delta_et -0.3242144E-02 Pxc 0.4257728E+01 Qxc -0.1835881E+01 3,+1 129 3 -1 1.994131 -3.043731 0.875521 Rho 0.9947146E-01 |GRAD(Rho)| 0.2502515E-15 GRAD(Rho)x 0.2753874E-16 GRAD(Rho)y 0.6033585E-16 GRAD(Rho)z 0.2413027E-15 Laplacian 0.4126251E+00 (-1/4)Del**2(Rho)) -0.1031563E+00 Diamond 0.5266768E+00 Metallicity 0.3566331E+01 Ellipticity 0.3503847E-02 Gb(Abramov) 0.1300858E+00 Vb(Abramov) -0.1570152E+00 Hb(Abramov) -0.2692948E-01 Ex_ueg -0.3403949E-01 Ec_ueg -0.5293046E-02 Delta_ex -0.4045048E-01 Delta_ec 0.1203480E-01 Delta_et -0.1499633E+00 Pxc 0.6430983E+01 Qxc -0.3361126E+01 3,-1 130 3 -1 0.836263 -3.045208 2.023274 Rho 0.1629045E+00 |GRAD(Rho)| 0.2046249E-15 GRAD(Rho)x -0.7608389E-16 GRAD(Rho)y 0.1266213E-15 GRAD(Rho)z 0.1415968E-15 Laplacian 0.6314193E+00 (-1/4)Del**2(Rho)) -0.1578548E+00 Diamond 0.1408237E+01 Metallicity 0.5302943E+01 Ellipticity 0.3853500E-01 Gb(Abramov) 0.2447524E+00 Vb(Abramov) -0.3316500E+00 Hb(Abramov) -0.8689758E-01 Ex_ueg -0.6570963E-01 Ec_ueg -0.9274639E-02 Delta_ex -0.6916422E-01 Delta_ec 0.1561721E-01 Delta_et -0.2099775E+00 Pxc 0.7084872E+01 Qxc -0.4428718E+01 3,-1 131 3 -1 -0.092092 -3.215979 3.224633 Rho 0.2327154E+00 |GRAD(Rho)| 0.5818916E-15 GRAD(Rho)x 0.2939001E-15 GRAD(Rho)y 0.3494926E-15 GRAD(Rho)z -0.3606599E-15 Laplacian 0.8574715E+00 (-1/4)Del**2(Rho)) -0.2143679E+00 Diamond 0.2918574E+01 Metallicity 0.7075685E+01 Ellipticity 0.1755132E-02 Gb(Abramov) 0.3957119E+00 Vb(Abramov) -0.5770559E+00 Hb(Abramov) -0.1813440E+00 Ex_ueg -0.1057187E+00 Ec_ueg -0.1393700E-01 Delta_ex -0.1027507E+00 Delta_ec 0.1907901E-01 Delta_et -0.2638146E+00 Pxc 0.7585469E+01 Qxc -0.5385535E+01 3,-1 132 3 -1 0.552498 -2.822056 -1.825853 Rho 0.1660897E+00 |GRAD(Rho)| 0.3546799E-12 GRAD(Rho)x 0.2271213E-12 GRAD(Rho)y -0.1394273E-12 GRAD(Rho)z 0.2340379E-12 Laplacian 0.6804955E+00 (-1/4)Del**2(Rho)) -0.1701239E+00 Diamond 0.1543803E+01 Metallicity 0.5081895E+01 Ellipticity 0.1004969E-01 Gb(Abramov) 0.2575078E+00 Vb(Abramov) -0.3448918E+00 Hb(Abramov) -0.8738397E-01 Ex_ueg -0.6742825E-01 Ec_ueg -0.9481318E-02 Delta_ex -0.7481678E-01 Delta_ec 0.1659880E-01 Delta_et -0.2233006E+00 Pxc 0.7111696E+01 Qxc -0.4507360E+01 3,-1 133 3 +1 1.068852 2.202201 -1.416386 Rho 0.2528102E-01 |GRAD(Rho)| 0.5279643E-16 GRAD(Rho)x -0.1116066E-16 GRAD(Rho)y 0.4312594E-16 GRAD(Rho)z -0.2833825E-16 Laplacian 0.9713738E-01 (-1/4)Del**2(Rho)) -0.2428435E-01 Diamond 0.1196661E-01 Metallicity 0.1544843E+01 Ellipticity -0.2841450E+01 Gb(Abramov) 0.2244215E-01 Vb(Abramov) -0.2059995E-01 Hb(Abramov) 0.1842198E-02 Ex_ueg -0.5479965E-02 Ec_ueg -0.1102873E-02 Delta_ex -0.5959456E-02 Delta_ec 0.1469747E-02 Delta_et -0.1304922E-01 Pxc 0.4968807E+01 Qxc -0.4054751E+01 3,+1 134 3 -1 0.544729 1.760690 -1.745946 Rho 0.3947878E-01 |GRAD(Rho)| 0.2473291E-13 GRAD(Rho)x -0.7743069E-14 GRAD(Rho)y 0.1660781E-13 GRAD(Rho)z -0.1661151E-13 Laplacian 0.1683303E+00 (-1/4)Del**2(Rho)) -0.4208257E-01 Diamond 0.6644332E-01 Metallicity 0.1873802E+01 Ellipticity 0.2087158E-01 Gb(Abramov) 0.4119745E-01 Vb(Abramov) -0.4031233E-01 Hb(Abramov) 0.8851208E-03 Ex_ueg -0.9928189E-02 Ec_ueg -0.1842138E-02 Delta_ex -0.1333119E-01 Delta_ec 0.5504184E-02 Delta_et -0.5455978E-01 Pxc 0.5389491E+01 Qxc -0.2422009E+01 3,-1 135 3 -1 0.577228 1.837403 2.832747 Rho 0.1299200E+00 |GRAD(Rho)| 0.8548464E-12 GRAD(Rho)x -0.5361382E-12 GRAD(Rho)y 0.6507106E-12 GRAD(Rho)z -0.1410458E-12 Laplacian 0.5528339E+00 (-1/4)Del**2(Rho)) -0.1382085E+00 Diamond 0.9642479E+00 Metallicity 0.4154114E+01 Ellipticity 0.1794884E-01 Gb(Abramov) 0.1878279E+00 Vb(Abramov) -0.2374474E+00 Hb(Abramov) -0.4961947E-01 Ex_ueg -0.4859814E-01 Ec_ueg -0.7170781E-02 Delta_ex -0.5758817E-01 Delta_ec 0.1499092E-01 Delta_et -0.1961401E+00 Pxc 0.6777246E+01 Qxc -0.3841536E+01 3,-1 136 3 +1 1.792699 1.791319 1.779189 Rho 0.1142522E-01 |GRAD(Rho)| 0.4612299E-17 GRAD(Rho)x -0.2001552E-17 GRAD(Rho)y 0.2593655E-17 GRAD(Rho)z 0.3246544E-17 Laplacian 0.5358247E-01 (-1/4)Del**2(Rho)) -0.1339562E-01 Diamond 0.1906236E-02 Metallicity 0.7453580E+00 Ellipticity -0.1245138E+01 Gb(Abramov) 0.1059450E-01 Vb(Abramov) -0.7793383E-02 Hb(Abramov) 0.2801118E-02 Ex_ueg -0.1900515E-02 Ec_ueg -0.4331007E-03 Delta_ex -0.2568806E-02 Delta_ec 0.6398071E-03 Delta_et -0.4783990E-02 Pxc 0.4388159E+01 Qxc -0.4014970E+01 3,+1 137 3 +1 1.765155 -1.806055 -1.802894 Rho 0.1136828E-01 |GRAD(Rho)| 0.1935389E-13 GRAD(Rho)x 0.6131832E-16 GRAD(Rho)y 0.1291673E-13 GRAD(Rho)z -0.1441276E-13 Laplacian 0.5350676E-01 (-1/4)Del**2(Rho)) -0.1337669E-01 Diamond 0.1921073E-02 Metallicity 0.7402226E+00 Ellipticity -0.1267476E+01 Gb(Abramov) 0.1056808E-01 Vb(Abramov) -0.7759472E-02 Hb(Abramov) 0.2808608E-02 Ex_ueg -0.1887895E-02 Ec_ueg -0.4304856E-03 Delta_ex -0.2571255E-02 Delta_ec 0.6558372E-03 Delta_et -0.4883457E-02 Pxc 0.4385502E+01 Qxc -0.3920569E+01 3,+1 138 3 +1 1.439727 -1.048331 2.213298 Rho 0.2503499E-01 |GRAD(Rho)| 0.2379712E-15 GRAD(Rho)x 0.1703762E-15 GRAD(Rho)y 0.1658172E-15 GRAD(Rho)z 0.1033866E-16 Laplacian 0.9540887E-01 (-1/4)Del**2(Rho)) -0.2385222E-01 Diamond 0.1076452E-01 Metallicity 0.1547403E+01 Ellipticity -0.2328351E+01 Gb(Abramov) 0.2205298E-01 Vb(Abramov) -0.2025373E-01 Hb(Abramov) 0.1799242E-02 Ex_ueg -0.5408974E-02 Ec_ueg -0.1090476E-02 Delta_ex -0.5747733E-02 Delta_ec 0.1282647E-02 Delta_et -0.1140372E-01 Pxc 0.4960196E+01 Qxc -0.4481151E+01 3,+1 139 3 -1 0.852578 -2.030166 3.047406 Rho 0.1619284E+00 |GRAD(Rho)| 0.4167187E-15 GRAD(Rho)x 0.1438465E-15 GRAD(Rho)y 0.3675039E-15 GRAD(Rho)z 0.1338041E-15 Laplacian 0.6293984E+00 (-1/4)Del**2(Rho)) -0.1573496E+00 Diamond 0.1392663E+01 Metallicity 0.5266950E+01 Ellipticity 0.4315932E-01 Gb(Abramov) 0.2430252E+00 Vb(Abramov) -0.3287007E+00 Hb(Abramov) -0.8567556E-01 Ex_ueg -0.6518522E-01 Ec_ueg -0.9211425E-02 Delta_ex -0.6883118E-01 Delta_ec 0.1557549E-01 Delta_et -0.2092207E+00 Pxc 0.7076561E+01 Qxc -0.4419197E+01 3,-1 140 3 -1 0.572572 -1.844353 -2.835940 Rho 0.1660866E+00 |GRAD(Rho)| 0.2121808E-15 GRAD(Rho)x 0.3225501E-17 GRAD(Rho)y -0.7193681E-16 GRAD(Rho)z -0.1995881E-15 Laplacian 0.6827920E+00 (-1/4)Del**2(Rho)) -0.1706980E+00 Diamond 0.1548483E+01 Metallicity 0.5064647E+01 Ellipticity 0.1584778E-01 Gb(Abramov) 0.2578862E+00 Vb(Abramov) -0.3450744E+00 Hb(Abramov) -0.8718819E-01 Ex_ueg -0.6742661E-01 Ec_ueg -0.9481121E-02 Delta_ex -0.7506462E-01 Delta_ec 0.1664720E-01 Delta_et -0.2239303E+00 Pxc 0.7111670E+01 Qxc -0.4509145E+01 3,-1 141 3 +3 1.134263 -1.113075 -1.141561 Rho 0.4709625E-02 |GRAD(Rho)| 0.8607561E-17 GRAD(Rho)x -0.3034368E-17 GRAD(Rho)y -0.7907724E-17 GRAD(Rho)z 0.1533170E-17 Laplacian 0.1748658E-01 (-1/4)Del**2(Rho)) -0.4371645E-02 Diamond 0.1123278E-03 Metallicity 0.5214575E+00 Ellipticity -0.2065711E+00 Gb(Abramov) 0.3294367E-02 Vb(Abramov) -0.2217090E-02 Hb(Abramov) 0.1077277E-02 Ex_ueg -0.5830425E-03 Ec_ueg -0.1344383E-03 Delta_ex -0.5940326E-03 Delta_ec 0.7670114E-04 Delta_et -0.6019212E-03 Pxc 0.4336879E+01 Qxc -0.7744769E+01 3,+3 142 3 -1 2.000084 -0.877410 3.047703 Rho 0.1015501E+00 |GRAD(Rho)| 0.1677436E-15 GRAD(Rho)x 0.1035616E-15 GRAD(Rho)y 0.1318864E-15 GRAD(Rho)z -0.4343585E-17 Laplacian 0.4172303E+00 (-1/4)Del**2(Rho)) -0.1043076E+00 Diamond 0.5474811E+00 Metallicity 0.3650660E+01 Ellipticity 0.3403866E-02 Gb(Abramov) 0.1330036E+00 Vb(Abramov) -0.1616997E+00 Hb(Abramov) -0.2869605E-01 Ex_ueg -0.3499121E-01 Ec_ueg -0.5419048E-02 Delta_ex -0.4112203E-01 Delta_ec 0.1215875E-01 Delta_et -0.1522033E+00 Pxc 0.6457077E+01 Qxc -0.3382095E+01 3,-1 143 3 +1 1.161628 1.317882 -2.201849 Rho 0.2481691E-01 |GRAD(Rho)| 0.7230997E-15 GRAD(Rho)x -0.2627407E-15 GRAD(Rho)y 0.5209287E-15 GRAD(Rho)z -0.4271695E-15 Laplacian 0.9358617E-01 (-1/4)Del**2(Rho)) -0.2339654E-01 Diamond 0.1321900E-01 Metallicity 0.1554704E+01 Ellipticity -0.1752369E+02 Gb(Abramov) 0.2166014E-01 Vb(Abramov) -0.1992374E-01 Hb(Abramov) 0.1736399E-02 Ex_ueg -0.5346242E-02 Ec_ueg -0.1079500E-02 Delta_ex -0.5930022E-02 Delta_ec 0.1803912E-02 Delta_et -0.1584368E-01 Pxc 0.4952516E+01 Qxc -0.3287312E+01 3,+1 144 3 -1 0.893416 3.055051 -2.013041 Rho 0.1185953E+00 |GRAD(Rho)| 0.3768099E-15 GRAD(Rho)x -0.2803340E-15 GRAD(Rho)y -0.2466695E-15 GRAD(Rho)z -0.5052382E-16 Laplacian 0.4819415E+00 (-1/4)Del**2(Rho)) -0.1204854E+00 Diamond 0.7592664E+00 Metallicity 0.4093218E+01 Ellipticity 0.1727920E-01 Gb(Abramov) 0.1625191E+00 Vb(Abramov) -0.2045528E+00 Hb(Abramov) -0.4203370E-01 Ex_ueg -0.4303369E-01 Ec_ueg -0.6464655E-02 Delta_ex -0.4920706E-01 Delta_ec 0.1349347E-01 Delta_et -0.1739729E+00 Pxc 0.6656765E+01 Qxc -0.3646732E+01 3,-1 145 3 +1 2.008816 2.007440 -2.024713 Rho 0.1150639E-01 |GRAD(Rho)| 0.8870955E-17 GRAD(Rho)x -0.6974282E-17 GRAD(Rho)y 0.4912866E-17 GRAD(Rho)z 0.2432481E-17 Laplacian 0.4895336E-01 (-1/4)Del**2(Rho)) -0.1223834E-01 Diamond 0.1246819E-02 Metallicity 0.8255231E+00 Ellipticity -0.1038789E+01 Gb(Abramov) 0.9842732E-02 Vb(Abramov) -0.7447124E-02 Hb(Abramov) 0.2395608E-02 Ex_ueg -0.1918539E-02 Ec_ueg -0.4368305E-03 Delta_ex -0.2194907E-02 Delta_ec 0.3052980E-03 Delta_et -0.2525005E-02 Pxc 0.4391952E+01 Qxc -0.7189392E+01 3,+1 146 3 +1 -2.210987 1.439192 1.039177 Rho 0.2518158E-01 |GRAD(Rho)| 0.3933952E-16 GRAD(Rho)x 0.9350503E-17 GRAD(Rho)y -0.8500664E-17 GRAD(Rho)z 0.3725460E-16 Laplacian 0.9595392E-01 (-1/4)Del**2(Rho)) -0.2398848E-01 Diamond 0.1087071E-01 Metallicity 0.1553658E+01 Ellipticity -0.2316245E+01 Gb(Abramov) 0.2220397E-01 Vb(Abramov) -0.2041946E-01 Hb(Abramov) 0.1784510E-02 Ex_ueg -0.5451246E-02 Ec_ueg -0.1097861E-02 Delta_ex -0.5785250E-02 Delta_ec 0.1281693E-02 Delta_et -0.1141238E-01 Pxc 0.4965334E+01 Qxc -0.4513755E+01 3,+1 147 3 +1 1.306149 1.173464 -2.202399 Rho 0.2482342E-01 |GRAD(Rho)| 0.2671986E-16 GRAD(Rho)x -0.3257420E-17 GRAD(Rho)y -0.2887498E-17 GRAD(Rho)z 0.2636290E-16 Laplacian 0.9382683E-01 (-1/4)Del**2(Rho)) -0.2345671E-01 Diamond 0.1340558E-01 Metallicity 0.1551394E+01 Ellipticity -0.2979744E+02 Gb(Abramov) 0.2170290E-01 Vb(Abramov) -0.1994910E-01 Hb(Abramov) 0.1753804E-02 Ex_ueg -0.5348111E-02 Ec_ueg -0.1079828E-02 Delta_ex -0.5961885E-02 Delta_ec 0.1837486E-02 Delta_et -0.1613360E-01 Pxc 0.4952746E+01 Qxc -0.3244588E+01 3,+1 148 3 -1 1.253092 1.226196 -2.203494 Rho 0.2482537E-01 |GRAD(Rho)| 0.1730654E-12 GRAD(Rho)x 0.1318273E-12 GRAD(Rho)y -0.9414508E-13 GRAD(Rho)z -0.6090892E-13 Laplacian 0.9436609E-01 (-1/4)Del**2(Rho)) -0.2359152E-01 Diamond 0.1382289E-01 Metallicity 0.1542730E+01 Ellipticity 0.4520116E+02 Gb(Abramov) 0.2179357E-01 Vb(Abramov) -0.1999562E-01 Hb(Abramov) 0.1797948E-02 Ex_ueg -0.5348672E-02 Ec_ueg -0.1079926E-02 Delta_ex -0.6033415E-02 Delta_ec 0.1914360E-02 Delta_et -0.1679531E-01 Pxc 0.4952815E+01 Qxc -0.3151661E+01 3,-1 149 3 -1 0.865385 2.022629 -3.068027 Rho 0.1274391E+00 |GRAD(Rho)| 0.6823981E-13 GRAD(Rho)x -0.4450208E-13 GRAD(Rho)y 0.4802476E-13 GRAD(Rho)z 0.1923170E-13 Laplacian 0.5197516E+00 (-1/4)Del**2(Rho)) -0.1299379E+00 Diamond 0.8832983E+00 Metallicity 0.4278801E+01 Ellipticity 0.8157013E-02 Gb(Abramov) 0.1792883E+00 Vb(Abramov) -0.2286388E+00 Hb(Abramov) -0.4935044E-01 Ex_ueg -0.4736478E-01 Ec_ueg -0.7015349E-02 Delta_ex -0.5386227E-01 Delta_ec 0.1410286E-01 Delta_et -0.1838197E+00 Pxc 0.6751593E+01 Qxc -0.3819244E+01 3,-1 150 3 -1 1.815507 -2.827771 -0.576662 Rho 0.1001643E+00 |GRAD(Rho)| 0.4085378E-16 GRAD(Rho)x -0.2439455E-17 GRAD(Rho)y -0.9601965E-17 GRAD(Rho)z 0.3963437E-16 Laplacian 0.4351481E+00 (-1/4)Del**2(Rho)) -0.1087870E+00 Diamond 0.5635898E+00 Metallicity 0.3421090E+01 Ellipticity 0.2218753E-01 Gb(Abramov) 0.1345530E+00 Vb(Abramov) -0.1603191E+00 Hb(Abramov) -0.2576603E-01 Ex_ueg -0.3435599E-01 Ec_ueg -0.5335007E-02 Delta_ex -0.4278631E-01 Delta_ec 0.1277913E-01 Delta_et -0.1595904E+00 Pxc 0.6439727E+01 Qxc -0.3348140E+01 3,-1 151 3 +1 1.439567 -2.212898 1.038379 Rho 0.2520186E-01 |GRAD(Rho)| 0.2891358E-13 GRAD(Rho)x 0.2204829E-13 GRAD(Rho)y -0.1103378E-13 GRAD(Rho)z -0.1510378E-13 Laplacian 0.9604114E-01 (-1/4)Del**2(Rho)) -0.2401029E-01 Diamond 0.1086288E-01 Metallicity 0.1554331E+01 Ellipticity -0.2302769E+01 Gb(Abramov) 0.2222685E-01 Vb(Abramov) -0.2044341E-01 Hb(Abramov) 0.1783440E-02 Ex_ueg -0.5457099E-02 Ec_ueg -0.1098883E-02 Delta_ex -0.5788590E-02 Delta_ec 0.1277134E-02 Delta_et -0.1137545E-01 Pxc 0.4966043E+01 Qxc -0.4532485E+01 3,+1 152 3 -1 1.766978 -1.742954 0.535921 Rho 0.4133184E-01 |GRAD(Rho)| 0.6616456E-16 GRAD(Rho)x 0.6362573E-16 GRAD(Rho)y 0.8990408E-17 GRAD(Rho)z -0.1576985E-16 Laplacian 0.1773972E+00 (-1/4)Del**2(Rho)) -0.4434930E-01 Diamond 0.7471031E-01 Metallicity 0.1919292E+01 Ellipticity 0.1928581E-01 Gb(Abramov) 0.4375274E-01 Vb(Abramov) -0.4315618E-01 Hb(Abramov) 0.5965599E-03 Ex_ueg -0.1055435E-01 Ec_ueg -0.1941653E-02 Delta_ex -0.1421711E-01 Delta_ec 0.5817732E-02 Delta_et -0.5840194E-01 Pxc 0.5435753E+01 Qxc -0.2443754E+01 3,-1 153 3 -1 1.830210 -0.587225 -2.852139 Rho 0.1000199E+00 |GRAD(Rho)| 0.7753555E-15 GRAD(Rho)x 0.5072169E-15 GRAD(Rho)y 0.5643001E-15 GRAD(Rho)z -0.1596013E-15 Laplacian 0.4315899E+00 (-1/4)Del**2(Rho)) -0.1078975E+00 Diamond 0.5586942E+00 Metallicity 0.3441009E+01 Ellipticity 0.2328084E-01 Gb(Abramov) 0.1338110E+00 Vb(Abramov) -0.1597245E+00 Hb(Abramov) -0.2591353E-01 Ex_ueg -0.3428995E-01 Ec_ueg -0.5326256E-02 Delta_ex -0.4243409E-01 Delta_ec 0.1269950E-01 Delta_et -0.1585730E+00 Pxc 0.6437908E+01 Qxc -0.3341398E+01 3,-1 154 3 -1 1.756758 -0.528272 1.747668 Rho 0.4127795E-01 |GRAD(Rho)| 0.3817172E-16 GRAD(Rho)x 0.2856661E-16 GRAD(Rho)y 0.1928779E-16 GRAD(Rho)z 0.1640152E-16 Laplacian 0.1763906E+00 (-1/4)Del**2(Rho)) -0.4409766E-01 Diamond 0.7405925E-01 Metallicity 0.1926051E+01 Ellipticity 0.2364386E-01 Gb(Abramov) 0.4355416E-01 Vb(Abramov) -0.4301067E-01 Hb(Abramov) 0.5434980E-03 Ex_ueg -0.1053600E-01 Ec_ueg -0.1938750E-02 Delta_ex -0.1412663E-01 Delta_ec 0.5775263E-02 Delta_et -0.5795367E-01 Pxc 0.5434429E+01 Qxc -0.2446058E+01 3,-1 155 3 -1 2.023822 0.866049 -3.068509 Rho 0.1277643E+00 |GRAD(Rho)| 0.2642723E-15 GRAD(Rho)x -0.1903995E-15 GRAD(Rho)y 0.1779853E-15 GRAD(Rho)z -0.4369335E-16 Laplacian 0.5208826E+00 (-1/4)Del**2(Rho)) -0.1302207E+00 Diamond 0.8879207E+00 Metallicity 0.4287682E+01 Ellipticity 0.8376320E-02 Gb(Abramov) 0.1798712E+00 Vb(Abramov) -0.2295218E+00 Hb(Abramov) -0.4965057E-01 Ex_ueg -0.4752598E-01 Ec_ueg -0.7035698E-02 Delta_ex -0.5401219E-01 Delta_ec 0.1412477E-01 Delta_et -0.1841848E+00 Pxc 0.6754978E+01 Qxc -0.3823933E+01 3,-1 156 3 -1 1.758247 1.757351 -0.525733 Rho 0.4378183E-01 |GRAD(Rho)| 0.1314086E-15 GRAD(Rho)x 0.8529706E-16 GRAD(Rho)y 0.9934129E-16 GRAD(Rho)z 0.1113234E-16 Laplacian 0.1756802E+00 (-1/4)Del**2(Rho)) -0.4392005E-01 Diamond 0.7358711E-01 Metallicity 0.2133275E+01 Ellipticity 0.1379246E-01 Gb(Abramov) 0.4489562E-01 Vb(Abramov) -0.4587119E-01 Hb(Abramov) -0.9755729E-03 Ex_ueg -0.1139664E-01 Ec_ueg -0.2074154E-02 Delta_ex -0.1394834E-01 Delta_ec 0.5169906E-02 Delta_et -0.5262658E-01 Pxc 0.5494596E+01 Qxc -0.2697986E+01 3,-1 157 3 +3 1.979960 1.978613 -1.996200 Rho 0.1150496E-01 |GRAD(Rho)| 0.1199219E-16 GRAD(Rho)x -0.1103439E-16 GRAD(Rho)y -0.4179811E-17 GRAD(Rho)z -0.2141055E-17 Laplacian 0.4881931E-01 (-1/4)Del**2(Rho)) -0.1220483E-01 Diamond 0.1145854E-02 Metallicity 0.8276187E+00 Ellipticity -0.9561374E+00 Gb(Abramov) 0.9820042E-02 Vb(Abramov) -0.7435256E-02 Hb(Abramov) 0.2384785E-02 Ex_ueg -0.1918221E-02 Ec_ueg -0.4367649E-03 Delta_ex -0.2159066E-02 Delta_ec 0.2513404E-03 Delta_et -0.2165522E-02 Pxc 0.4391886E+01 Qxc -0.8590206E+01 3,+3 158 3 -1 1.856011 2.838380 0.561406 Rho 0.1477289E+00 |GRAD(Rho)| 0.4242982E-13 GRAD(Rho)x 0.3650923E-13 GRAD(Rho)y 0.2130065E-13 GRAD(Rho)z -0.3694324E-14 Laplacian 0.6092384E+00 (-1/4)Del**2(Rho)) -0.1523096E+00 Diamond 0.1203466E+01 Metallicity 0.4669478E+01 Ellipticity 0.9634509E-02 Gb(Abramov) 0.2200741E+00 Vb(Abramov) -0.2878386E+00 Hb(Abramov) -0.6776453E-01 Ex_ueg -0.5767740E-01 Ec_ueg -0.8298290E-02 Delta_ex -0.6509297E-01 Delta_ec 0.1535775E-01 Delta_et -0.2036466E+00 Pxc 0.6950517E+01 Qxc -0.4238445E+01 3,-1 159 3 -1 2.040942 3.045899 -0.850578 Rho 0.1437138E+00 |GRAD(Rho)| 0.4911808E-15 GRAD(Rho)x -0.3819102E-16 GRAD(Rho)y -0.1063873E-15 GRAD(Rho)z 0.4779976E-15 Laplacian 0.5620852E+00 (-1/4)Del**2(Rho)) -0.1405213E+00 Diamond 0.1078023E+01 Metallicity 0.4834019E+01 Ellipticity 0.2669439E-01 Gb(Abramov) 0.2068946E+00 Vb(Abramov) -0.2732680E+00 Hb(Abramov) -0.6637334E-01 Ex_ueg -0.5559678E-01 Ec_ueg -0.8042327E-02 Delta_ex -0.5969089E-01 Delta_ec 0.1433857E-01 Delta_et -0.1895506E+00 Pxc 0.6913021E+01 Qxc -0.4162959E+01 3,-1 160 3 -1 1.837412 0.577886 2.832422 Rho 0.1307374E+00 |GRAD(Rho)| 0.1116753E-11 GRAD(Rho)x -0.8154825E-12 GRAD(Rho)y 0.7167638E-12 GRAD(Rho)z 0.2614871E-12 Laplacian 0.5563570E+00 (-1/4)Del**2(Rho)) -0.1390893E+00 Diamond 0.9775682E+00 Metallicity 0.4171185E+01 Ellipticity 0.1764330E-01 Gb(Abramov) 0.1894207E+00 Vb(Abramov) -0.2397521E+00 Hb(Abramov) -0.5033142E-01 Ex_ueg -0.4900627E-01 Ec_ueg -0.7222085E-02 Delta_ex -0.5804031E-01 Delta_ec 0.1506063E-01 Delta_et -0.1972541E+00 Pxc 0.6785612E+01 Qxc -0.3853777E+01 3,-1 161 3 -1 2.842804 0.600378 1.819634 Rho 0.1176397E+00 |GRAD(Rho)| 0.1284010E-15 GRAD(Rho)x -0.4584820E-16 GRAD(Rho)y 0.7506745E-16 GRAD(Rho)z 0.9353954E-16 Laplacian 0.5030733E+00 (-1/4)Del**2(Rho)) -0.1257683E+00 Diamond 0.7856752E+00 Metallicity 0.3868758E+01 Ellipticity 0.1669394E-01 Gb(Abramov) 0.1649401E+00 Vb(Abramov) -0.2041118E+00 Hb(Abramov) -0.3917175E-01 Ex_ueg -0.4257193E-01 Ec_ueg -0.6405469E-02 Delta_ex -0.5127772E-01 Delta_ec 0.1413063E-01 Delta_et -0.1819464E+00 Pxc 0.6646185E+01 Qxc -0.3628834E+01 3,-1 162 3 -1 2.838807 1.855068 0.560513 Rho 0.1472111E+00 |GRAD(Rho)| 0.1304029E-11 GRAD(Rho)x -0.2075176E-12 GRAD(Rho)y 0.9731273E-12 GRAD(Rho)z -0.8428823E-12 Laplacian 0.6070073E+00 (-1/4)Del**2(Rho)) -0.1517518E+00 Diamond 0.1194175E+01 Metallicity 0.4659297E+01 Ellipticity 0.9641676E-02 Gb(Abramov) 0.2190107E+00 Vb(Abramov) -0.2862696E+00 Hb(Abramov) -0.6725887E-01 Ex_ueg -0.5740803E-01 Ec_ueg -0.8265227E-02 Delta_ex -0.6480031E-01 Delta_ec 0.1531781E-01 Delta_et -0.2030243E+00 Pxc 0.6945730E+01 Qxc -0.4230390E+01 3,-1 163 3 -1 3.046759 2.039796 -0.850428 Rho 0.1426816E+00 |GRAD(Rho)| 0.3933007E-15 GRAD(Rho)x -0.1232331E-15 GRAD(Rho)y 0.2543809E-15 GRAD(Rho)z 0.2734764E-15 Laplacian 0.5574700E+00 (-1/4)Del**2(Rho)) -0.1393675E+00 Diamond 0.1059780E+01 Metallicity 0.4815838E+01 Ellipticity 0.2594741E-01 Gb(Abramov) 0.2047735E+00 Vb(Abramov) -0.2701796E+00 Hb(Abramov) -0.6540605E-01 Ex_ueg -0.5506503E-01 Ec_ueg -0.7976692E-02 Delta_ex -0.5909464E-01 Delta_ec 0.1424272E-01 Delta_et -0.1880787E+00 Pxc 0.6903241E+01 Qxc -0.4149112E+01 3,-1 164 3 -1 3.254792 -3.282002 -0.057864 Rho 0.2076832E+00 |GRAD(Rho)| 0.4333860E-14 GRAD(Rho)x -0.2988549E-14 GRAD(Rho)y 0.3050945E-14 GRAD(Rho)z 0.7366476E-15 Laplacian 0.7810680E+00 (-1/4)Del**2(Rho)) -0.1952670E+00 Diamond 0.2321701E+01 Metallicity 0.6425791E+01 Ellipticity 0.2603255E-02 Gb(Abramov) 0.3393021E+00 Vb(Abramov) -0.4833373E+00 Hb(Abramov) -0.1440351E+00 Ex_ueg -0.9083506E-01 Ec_ueg -0.1223382E-01 Delta_ex -0.9090197E-01 Delta_ec 0.1799036E-01 Delta_et -0.2473251E+00 Pxc 0.7424912E+01 Qxc -0.5052814E+01 3,-1 165 3 -1 3.071102 -2.038004 0.884004 Rho 0.1353242E+00 |GRAD(Rho)| 0.5854313E-15 GRAD(Rho)x -0.2406929E-15 GRAD(Rho)y -0.4190983E-15 GRAD(Rho)z -0.3303835E-15 Laplacian 0.5417205E+00 (-1/4)Del**2(Rho)) -0.1354301E+00 Diamond 0.9919761E+00 Metallicity 0.4537294E+01 Ellipticity 0.1173095E-01 Gb(Abramov) 0.1927011E+00 Vb(Abramov) -0.2499721E+00 Hb(Abramov) -0.5727100E-01 Ex_ueg -0.5131200E-01 Ec_ueg -0.7510776E-02 Delta_ex -0.5698182E-01 Delta_ec 0.1454229E-01 Delta_et -0.1915492E+00 Pxc 0.6831784E+01 Qxc -0.3918353E+01 3,-1 166 3 -1 2.850992 -1.852989 -0.595912 Rho 0.1373279E+00 |GRAD(Rho)| 0.2602013E-15 GRAD(Rho)x -0.8904688E-16 GRAD(Rho)y 0.2441081E-15 GRAD(Rho)z 0.1366095E-16 Laplacian 0.5768576E+00 (-1/4)Del**2(Rho)) -0.1442144E+00 Diamond 0.1076227E+01 Metallicity 0.4366589E+01 Ellipticity 0.1706195E-01 Gb(Abramov) 0.2010971E+00 Vb(Abramov) -0.2579798E+00 Hb(Abramov) -0.5688271E-01 Ex_ueg -0.5232750E-01 Ec_ueg -0.7637318E-02 Delta_ex -0.6090535E-01 Delta_ec 0.1545318E-01 Delta_et -0.2040746E+00 Pxc 0.6851554E+01 Qxc -0.3941283E+01 3,-1 167 3 -1 3.251781 3.251280 0.066893 Rho 0.2319697E+00 |GRAD(Rho)| 0.1260261E-15 GRAD(Rho)x -0.8890458E-16 GRAD(Rho)y -0.6554002E-16 GRAD(Rho)z 0.6068822E-16 Laplacian 0.8489339E+00 (-1/4)Del**2(Rho)) -0.2122335E+00 Diamond 0.2883782E+01 Metallicity 0.7108721E+01 Ellipticity 0.1225233E-02 Gb(Abramov) 0.3929404E+00 Vb(Abramov) -0.5736473E+00 Hb(Abramov) -0.1807069E+00 Ex_ueg -0.1052673E+00 Ec_ueg -0.1388577E-01 Delta_ex -0.1016728E+00 Delta_ec 0.1896051E-01 Delta_et -0.2623686E+00 Pxc 0.7580948E+01 Qxc -0.5362342E+01 3,-1 168 3 -1 3.058501 -0.879712 2.036436 Rho 0.1194981E+00 |GRAD(Rho)| 0.5636301E-14 GRAD(Rho)x -0.3439753E-14 GRAD(Rho)y 0.2932794E-14 GRAD(Rho)z 0.3366705E-14 Laplacian 0.4899122E+00 (-1/4)Del**2(Rho)) -0.1224781E+00 Diamond 0.7703362E+00 Metallicity 0.4077835E+01 Ellipticity 0.6746136E-02 Gb(Abramov) 0.1648929E+00 Vb(Abramov) -0.2073078E+00 Hb(Abramov) -0.4241487E-01 Ex_ueg -0.4347099E-01 Ec_ueg -0.6520619E-02 Delta_ex -0.4999501E-01 Delta_ec 0.1348676E-01 Delta_et -0.1738050E+00 Pxc 0.6666697E+01 Qxc -0.3706969E+01 3,-1 169 3 -1 3.283789 -0.039392 -3.271530 Rho 0.2088370E+00 |GRAD(Rho)| 0.3421887E-12 GRAD(Rho)x -0.2387185E-12 GRAD(Rho)y 0.5995469E-13 GRAD(Rho)z 0.2377225E-12 Laplacian 0.7832249E+00 (-1/4)Del**2(Rho)) -0.1958062E+00 Diamond 0.2346183E+01 Metallicity 0.6467542E+01 Ellipticity 0.6150337E-02 Gb(Abramov) 0.3416016E+00 Vb(Abramov) -0.4873971E+00 Hb(Abramov) -0.1457954E+00 Ex_ueg -0.9150857E-01 Ec_ueg -0.1231157E-01 Delta_ex -0.9129889E-01 Delta_ec 0.1804093E-01 Delta_et -0.2482221E+00 Pxc 0.7432730E+01 Qxc -0.5060652E+01 3,-1 170 3 -1 3.262619 0.073004 3.266047 Rho 0.2083610E+00 |GRAD(Rho)| 0.5003389E-12 GRAD(Rho)x -0.3445339E-12 GRAD(Rho)y -0.8507709E-13 GRAD(Rho)z -0.3527000E-12 Laplacian 0.7828241E+00 (-1/4)Del**2(Rho)) -0.1957060E+00 Diamond 0.2336915E+01 Metallicity 0.6446289E+01 Ellipticity 0.6051496E-02 Gb(Abramov) 0.3407336E+00 Vb(Abramov) -0.4857612E+00 Hb(Abramov) -0.1450276E+00 Ex_ueg -0.9123056E-01 Ec_ueg -0.1227949E-01 Delta_ex -0.9118815E-01 Delta_ec 0.1802433E-01 Delta_et -0.2478849E+00 Pxc 0.7429510E+01 Qxc -0.5059170E+01 3,-1 171 3 -1 -3.282027 3.255924 -0.058134 Rho 0.2076975E+00 |GRAD(Rho)| 0.2437887E-14 GRAD(Rho)x -0.6277531E-15 GRAD(Rho)y 0.1870411E-14 GRAD(Rho)z -0.1432055E-14 Laplacian 0.7809723E+00 (-1/4)Del**2(Rho)) -0.1952431E+00 Diamond 0.2321622E+01 Metallicity 0.6427315E+01 Ellipticity 0.2537745E-02 Gb(Abramov) 0.3393102E+00 Vb(Abramov) -0.4833773E+00 Hb(Abramov) -0.1440671E+00 Ex_ueg -0.9084340E-01 Ec_ueg -0.1223479E-01 Delta_ex -0.9089253E-01 Delta_ec 0.1798797E-01 Delta_et -0.2472940E+00 Pxc 0.7425009E+01 Qxc -0.5052961E+01 3,-1 172 3 -1 -2.786054 -0.551586 1.810567 Rho 0.1257248E+00 |GRAD(Rho)| 0.6853059E-16 GRAD(Rho)x 0.3470125E-16 GRAD(Rho)y 0.5895349E-16 GRAD(Rho)z 0.4092863E-17 Laplacian 0.5227101E+00 (-1/4)Del**2(Rho)) -0.1306775E+00 Diamond 0.8572969E+00 Metallicity 0.4159624E+01 Ellipticity 0.9250742E-02 Gb(Abramov) 0.1777132E+00 Vb(Abramov) -0.2247490E+00 Hb(Abramov) -0.4703572E-01 Ex_ueg -0.4651716E-01 Ec_ueg -0.6908183E-02 Delta_ex -0.5378367E-01 Delta_ec 0.1385265E-01 Delta_et -0.1794918E+00 Pxc 0.6733631E+01 Qxc -0.3882555E+01 3,-1 173 3 -1 -3.215919 -0.093039 3.222863 Rho 0.2326935E+00 |GRAD(Rho)| 0.4845157E-13 GRAD(Rho)x 0.3304052E-13 GRAD(Rho)y 0.1205871E-13 GRAD(Rho)z -0.3332366E-13 Laplacian 0.8572770E+00 (-1/4)Del**2(Rho)) -0.2143193E+00 Diamond 0.2917629E+01 Metallicity 0.7076183E+01 Ellipticity 0.1681239E-02 Gb(Abramov) 0.3956399E+00 Vb(Abramov) -0.5769605E+00 Hb(Abramov) -0.1813206E+00 Ex_ueg -0.1057055E+00 Ec_ueg -0.1393550E-01 Delta_ex -0.1027251E+00 Delta_ec 0.1907567E-01 Delta_et -0.2637693E+00 Pxc 0.7585337E+01 Qxc -0.5385139E+01 3,-1 174 3 -1 -2.824046 0.554472 -1.826446 Rho 0.1656046E+00 |GRAD(Rho)| 0.5127633E-12 GRAD(Rho)x 0.1422633E-12 GRAD(Rho)y -0.2727482E-12 GRAD(Rho)z -0.4102386E-12 Laplacian 0.6785728E+00 (-1/4)Del**2(Rho)) -0.1696432E+00 Diamond 0.1534216E+01 Metallicity 0.5071513E+01 Ellipticity 0.9989247E-02 Gb(Abramov) 0.2564868E+00 Vb(Abramov) -0.3433303E+00 Hb(Abramov) -0.8684356E-01 Ex_ueg -0.6716584E-01 Ec_ueg -0.9449808E-02 Delta_ex -0.7455244E-01 Delta_ec 0.1656708E-01 Delta_et -0.2228047E+00 Pxc 0.7107640E+01 Qxc -0.4500034E+01 3,-1 175 3 -1 -1.723829 -1.724951 -0.537356 Rho 0.4580750E-01 |GRAD(Rho)| 0.6289095E-16 GRAD(Rho)x -0.1679624E-16 GRAD(Rho)y -0.6053744E-16 GRAD(Rho)z 0.2894100E-17 Laplacian 0.1834559E+00 (-1/4)Del**2(Rho)) -0.4586397E-01 Diamond 0.8170785E-01 Metallicity 0.2202804E+01 Ellipticity 0.1094358E-01 Gb(Abramov) 0.4741420E-01 Vb(Abramov) -0.4896443E-01 Hb(Abramov) -0.1550231E-02 Ex_ueg -0.1210507E-01 Ec_ueg -0.2184473E-02 Delta_ex -0.1473112E-01 Delta_ec 0.5396047E-02 Delta_et -0.5558956E-01 Pxc 0.5541413E+01 Qxc -0.2729983E+01 3,-1 176 3 -1 -2.037677 3.070935 0.883494 Rho 0.1345961E+00 |GRAD(Rho)| 0.3780301E-15 GRAD(Rho)x -0.2032879E-15 GRAD(Rho)y -0.2497731E-15 GRAD(Rho)z -0.1979753E-15 Laplacian 0.5389495E+00 (-1/4)Del**2(Rho)) -0.1347374E+00 Diamond 0.9806737E+00 Metallicity 0.4519798E+01 Ellipticity 0.1095881E-01 Gb(Abramov) 0.1913225E+00 Vb(Abramov) -0.2479077E+00 Hb(Abramov) -0.5658517E-01 Ex_ueg -0.5094422E-01 Ec_ueg -0.7464857E-02 Delta_ex -0.5661849E-01 Delta_ec 0.1448952E-01 Delta_et -0.1906919E+00 Pxc 0.6824540E+01 Qxc -0.3907549E+01 3,-1 177 3 -1 0.487345 0.485656 -0.456044 Rho 0.1852856E+00 |GRAD(Rho)| 0.3778035E-15 GRAD(Rho)x 0.2324529E-15 GRAD(Rho)y 0.2949030E-15 GRAD(Rho)z -0.4163336E-16 Laplacian 0.4984883E+00 (-1/4)Del**2(Rho)) -0.1246221E+00 Diamond 0.1323369E+01 Metallicity 0.8324555E+01 Ellipticity 0.3044806E-02 Gb(Abramov) 0.2559853E+00 Vb(Abramov) -0.3873484E+00 Hb(Abramov) -0.1313632E+00 Ex_ueg -0.7801426E-01 Ec_ueg -0.1073941E-01 Delta_ex -0.5658808E-01 Delta_ec 0.1226738E-01 Delta_et -0.1683808E+00 Pxc 0.7264298E+01 Qxc -0.4612890E+01 3,-1 178 3 -1 2.846195 -0.588981 -1.865546 Rho 0.1232780E+00 |GRAD(Rho)| 0.2003447E-12 GRAD(Rho)x -0.2659479E-13 GRAD(Rho)y 0.1379052E-12 GRAD(Rho)z -0.1428736E-12 Laplacian 0.5295098E+00 (-1/4)Del**2(Rho)) -0.1323775E+00 Diamond 0.8687379E+00 Metallicity 0.3973884E+01 Ellipticity 0.1738151E-01 Gb(Abramov) 0.1759271E+00 Vb(Abramov) -0.2194767E+00 Hb(Abramov) -0.4354962E-01 Ex_ueg -0.4531401E-01 Ec_ueg -0.6755571E-02 Delta_ex -0.5449342E-01 Delta_ec 0.1457315E-01 Delta_et -0.1890165E+00 Pxc 0.6707651E+01 Qxc -0.3739302E+01 3,-1 179 3 -1 3.057336 0.893097 -2.013393 Rho 0.1194737E+00 |GRAD(Rho)| 0.9308502E-12 GRAD(Rho)x 0.3895897E-12 GRAD(Rho)y 0.6697368E-12 GRAD(Rho)z 0.5159018E-12 Laplacian 0.4853594E+00 (-1/4)Del**2(Rho)) -0.1213399E+00 Diamond 0.7713415E+00 Metallicity 0.4114685E+01 Ellipticity 0.1823226E-01 Gb(Abramov) 0.1641058E+00 Vb(Abramov) -0.2068717E+00 Hb(Abramov) -0.4276593E-01 Ex_ueg -0.4345915E-01 Ec_ueg -0.6519105E-02 Delta_ex -0.4964069E-01 Delta_ec 0.1356324E-01 Delta_et -0.1751042E+00 Pxc 0.6666430E+01 Qxc -0.3659943E+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 78 126 102 110 139 130 131 115 140 132 97 109 127 134 111 114 149 144 120 112 135 119 113 100 118 152 166 150 165 129 164 156 162 158 163 159 167 88 71 99 72 176 171 175 74 95 73 82 68 60 174 89 64 83 66 61 172 84 62 92 173 154 161 160 168 142 170 121 178 153 179 155 169 123 122 148 177 106 125 1 1 1 1 1 1 2 2 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 13 14 15 15 16 22 13 24 26 33 39 41 14 21 28 36 37 42 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 52 53 53 34 53 53 24 2.391069 1.955999 1.987198 1.895164 1.893600 1.754983 2.411726 1.876378 1.877173 1.973933 2.013200 1.756100 2.454795 2.063669 1.986346 1.985404 2.011501 1.796938 2.437566 1.968920 2.006017 2.069466 2.008117 1.797773 2.434977 1.947477 2.066447 1.962585 2.080296 1.798998 2.420671 1.923777 1.922354 1.945466 1.942468 1.756410 2.436797 2.063586 1.949095 2.076727 1.964703 1.798979 2.404906 1.925250 1.923195 1.935362 1.931631 1.753484 2.414132 1.878299 1.877813 2.007574 1.974949 1.755977 2.391662 1.984011 1.954492 1.895250 1.896808 1.755027 2.437614 2.004246 1.966430 2.010561 2.071717 1.797794 2.453874 1.988396 2.066609 2.008605 1.984417 1.796896 1.704391 1.715219 2.643031 1.700176 1.704138 3.296520 2.392967 1.956441 1.987615 1.895604 1.894046 1.754994 2.413262 1.876668 1.877467 1.974501 2.013759 1.756113 2.456872 2.063867 1.986517 1.985708 2.011845 1.796944 2.439431 1.969101 2.006288 2.069747 2.008445 1.797773 2.436990 1.947670 2.066650 1.962858 2.080603 1.799005 2.422271 1.924128 1.922704 1.945999 1.943000 1.756419 2.438798 2.063784 1.949287 2.077030 1.964976 1.798987 2.406681 1.925720 1.923667 1.935920 1.932190 1.753494 2.415654 1.878590 1.878106 2.008133 1.975515 1.755988 2.393537 1.984423 1.954935 1.895697 1.897251 1.755036 2.439483 2.004519 1.966612 2.010891 2.071998 1.797795 2.455960 1.988570 2.066807 2.008949 1.984721 1.796901 1.704397 1.715220 2.644839 1.700179 1.704143 3.300917 30 26 25 29 28 23 27 29 28 25 24 24 32 25 25 27 29 24 27 27 25 26 25 22 28 26 27 27 29 23 28 26 26 26 26 23 27 24 27 25 27 23 27 25 25 25 25 21 27 26 27 24 25 23 27 25 25 25 26 21 28 26 26 25 26 22 31 26 26 27 26 23 23 23 29 23 21 35 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 W Ta Ta Ta W 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 O As 2.4329 2.4339 2.1971 2.1981 2.1988 2.4180 2.1993 2.4403 2.4340 2.4331 2.1979 2.1968 -1.1181 -1.1216 -1.1072 -1.1176 -0.9702 -1.0212 -0.9741 -0.9920 -0.9741 -1.0160 -0.9747 -0.9751 -1.0209 -0.9702 -0.9916 -0.9734 -1.0451 -0.9931 -1.0155 -0.9969 -0.9951 -1.0419 -0.9956 -1.0037 -0.9925 -1.0448 -0.9959 -1.0151 -0.8493 -0.8546 -0.9538 -0.9555 -0.9580 -0.8577 -0.9579 -0.8436 -0.8544 -0.8495 -0.9555 -0.9537 2.5166 2.1051 2.1020 2.1141 2.1126 2.1127 2.1138 2.1125 2.0950 2.1019 2.1049 2.1127 2.1141 1.9370 1.9355 1.9388 1.9371 1.9291 1.9226 1.9304 1.9264 1.9302 1.9231 1.9300 1.9286 1.9226 1.9291 1.9264 1.9305 1.9291 1.9370 1.9333 1.9370 1.9369 1.9286 1.9368 1.9366 1.9371 1.9291 1.9371 1.9334 1.9564 1.9567 1.9396 1.9394 1.9392 1.9562 1.9392 1.9569 1.9567 1.9564 1.9394 1.9396 0.8330 6.0957 6.0986 6.0847 6.0836 6.0800 6.1066 6.0800 6.0943 6.0987 6.0958 6.0836 6.0847 5.1441 5.1481 5.1317 5.1436 5.0126 5.0745 5.0161 5.0392 5.0163 5.0686 5.0170 5.0183 5.0742 5.0124 5.0388 5.0153 5.0907 5.0265 5.0547 5.0316 5.0296 5.0882 5.0302 5.0384 5.0259 5.0905 5.0305 5.0541 4.8603 4.8655 4.9882 4.9902 4.9931 4.8692 4.9930 4.8538 4.8652 4.8605 4.9902 4.9880 1.1107 3.3368 3.3359 2.5700 2.5714 2.5744 3.3322 2.5741 3.3408 3.3358 3.3366 2.5715 2.5702 0.0369 0.0380 0.0367 0.0369 0.0286 0.0241 0.0276 0.0264 0.0277 0.0243 0.0276 0.0281 0.0241 0.0286 0.0264 0.0276 0.0253 0.0296 0.0275 0.0283 0.0287 0.0251 0.0286 0.0287 0.0296 0.0252 0.0283 0.0275 0.0326 0.0325 0.0260 0.0259 0.0257 0.0323 0.0257 0.0329 0.0325 0.0326 0.0259 0.0260 10.5397 14.0296 14.0295 14.0342 14.0343 14.0342 14.0294 14.0342 14.0297 14.0295 14.0296 14.0343 14.0342 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 W Ta Ta Ta W 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 O As 2.500490 2.493969 2.360316 2.359097 2.355988 2.498267 2.356377 2.501570 2.494236 2.500656 2.358857 2.360284 -1.097174 -1.093278 -1.097344 -1.097041 -0.989613 -1.054816 -1.003357 -1.021909 -1.002717 -1.051953 -1.003303 -0.993419 -1.054625 -0.989310 -1.021513 -1.002952 -1.059095 -0.989399 -1.021538 -1.004254 -1.002407 -1.058470 -1.002880 -0.996082 -0.989062 -1.058951 -1.003531 -1.021034 -0.898123 -0.903110 -1.043269 -1.045486 -1.048483 -0.908285 -1.048391 -0.890967 -0.902814 -0.898352 -1.045578 -1.043106 2.316883 1.932043 1.925998 1.841211 1.837317 1.837797 1.931615 1.837713 1.924968 1.925836 1.931712 1.837157 1.841417 -0.720457 -0.712622 -0.720500 -0.720439 -0.740245 -0.809876 -0.771595 -0.780507 -0.778835 -0.798490 -0.778601 -0.729715 -0.808949 -0.740992 -0.780545 -0.771131 -0.904236 -0.827482 -0.861499 -0.852259 -0.854697 -0.894045 -0.854949 -0.823672 -0.828058 -0.903769 -0.851774 -0.861476 -0.816287 -0.822236 -0.989220 -0.990311 -0.992099 -0.831958 -0.992119 -0.808879 -0.822044 -0.816652 -0.990353 -0.989096 1.737884 2.041069 2.038441 1.965704 1.960486 1.958838 2.051835 1.959090 2.034938 2.038676 2.040979 1.960151 1.965952 -0.796466 -0.793253 -0.803092 -0.796534 -0.823632 -0.905002 -0.845479 -0.863951 -0.852710 -0.889523 -0.852853 -0.820172 -0.904096 -0.824081 -0.863934 -0.844777 -0.946312 -0.860394 -0.896638 -0.875159 -0.879401 -0.935361 -0.879830 -0.865691 -0.860339 -0.945929 -0.874283 -0.896197 -0.783273 -0.785403 -0.961159 -0.963803 -0.966276 -0.792805 -0.966224 -0.774602 -0.785152 -0.783561 -0.963870 -0.960890 1.665950 -8.49883438 -8.46700959 0.78570096 12.02238592 -0.83611873 31.82370083 -1.74929125 -0.77896838 -1.84263661 1.61508711 -384.6456 431.7939 0.2015 -438.7919 -95.0438 -486.4859 Jun20-2024 16:55:41 Nodes: 1 Procs: 1 Jun20-2024 16:55:45 Nodes: 1 Procs: 1 0 Jun20-2024 16:55:49 Nodes: 1 Procs: 1 Jun20-2024 16:55:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 16:55:56 Nodes: 1 Procs: 1 Jun20-2024 16:55:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 16:56:01 Nodes: 1 Procs: 1 Jun20-2024 16:56:04 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 16:56:10 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -17.66542507 -17.84966823 -17.86435743 -17.87248332 -17.87448142 -17.87599408 -17.87666920 -17.87722262 -17.87756625 -17.87777404 -17.87788566 -17.87795355 -17.87799442 -17.87801719 -17.87802849 GEOMETRY CONVERGED