ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:20 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.06 0.05 1.46 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:31 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.06 1.46 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:46 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.03 1.05 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:57 Molybdenum (TZP, 3d frozen) c10-15 c10-15 c10-15 c10-15 c10-15 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.05 2.19 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:57 Nodes: 1 Procs: 1 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:18 Molybdenum (TZP, 3d frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2369.538200000002 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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 Jun10-2024 15:29:03 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun10-2024 15:28:40 1 1 Arsenic TZP 3p t21.Mo ADF 2019.304 Jun10-2024 15:28:25 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun10-2024 15:28:51 1 1 Oxygen TZP 1s 1 1 -15.87669137 0.35612527 0.00100000 F 0.10439964 0.00066667 F 0.35612527 0.10439964 0.27024484 0.01000000 F 0.06281245 0.00666667 F Cartesian 2369.538200000002 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-3.417204 2.265068 -0.003315 Rho 0.3189313E+03 3,-3 33 3 -3 1.482159 1.389620 3.476575 Rho 0.3189860E+03 3,-3 34 3 -3 1.555581 -1.296845 -3.515028 Rho 0.3189782E+03 3,-3 35 3 -3 -1.481396 3.500647 1.349802 Rho 0.3190133E+03 3,-3 36 3 -3 -1.891192 -3.668730 -1.746631 Rho 0.3193997E+03 3,-3 37 3 -3 -1.878203 -3.687910 1.717770 Rho 0.3192579E+03 3,-3 38 3 -3 -1.482924 3.510525 -1.338969 Rho 0.3190179E+03 3,-3 39 3 -3 1.572956 -1.287562 3.503304 Rho 0.3189275E+03 3,-3 40 3 -3 1.483899 1.384088 -3.454378 Rho 0.3189255E+03 3,-3 41 3 -3 -0.212045 -0.012697 5.262053 Rho 0.3192827E+03 3,-3 42 3 -3 3.923466 -2.694714 -2.531682 Rho 0.3193555E+03 3,-3 43 3 -3 -0.208947 -0.006913 -5.265927 Rho 0.3192794E+03 3,-3 44 3 -3 0.242997 5.340027 0.001880 Rho 0.3193839E+03 3,-3 45 3 -3 3.963858 -2.631225 2.542073 Rho 0.3192240E+03 3,-3 46 3 -3 3.740761 2.880834 -2.535592 Rho 0.3192639E+03 3,-3 47 3 -3 -3.741180 2.530207 -2.826016 Rho 0.3192478E+03 3,-3 48 3 -3 -3.902247 -2.230110 2.808985 Rho 0.3192272E+03 3,-3 49 3 -3 -3.941911 -2.231032 -2.817866 Rho 0.3193628E+03 3,-3 50 3 -3 -3.745070 2.504190 2.808277 Rho 0.3192500E+03 3,-3 51 3 -3 3.740776 2.909246 2.544989 Rho 0.3193952E+03 3,-3 52 3 +1 -0.542251 0.738858 1.547350 Rho 0.8874172E-02 |GRAD(Rho)| 0.3675099E-13 GRAD(Rho)x -0.3453287E-13 GRAD(Rho)y 0.1257104E-13 GRAD(Rho)z 0.2919383E-15 Laplacian 0.3440502E-01 (-1/4)Del**2(Rho)) -0.8601255E-02 Diamond 0.9288939E-03 Metallicity 0.7618528E+00 Ellipticity -0.1425835E+01 Gb(Abramov) 0.6826319E-02 Vb(Abramov) -0.5051382E-02 Hb(Abramov) 0.1774937E-02 Ex_ueg -0.1356924E-02 Ec_ueg -0.3172639E-03 Delta_ex -0.1570451E-02 Delta_ec 0.4593907E-03 Delta_et -0.3185233E-02 Pxc 0.4276956E+01 Qxc -0.3418552E+01 3,+1 53 3 +1 -0.232829 -2.652181 1.850508 Rho 0.2724358E-02 |GRAD(Rho)| 0.4821003E-17 GRAD(Rho)x 0.2419468E-17 GRAD(Rho)y -0.3168684E-17 GRAD(Rho)z -0.2710662E-17 Laplacian 0.1066067E-01 (-1/4)Del**2(Rho)) -0.2665167E-02 Diamond 0.9337123E-04 Metallicity 0.3435071E+00 Ellipticity -0.1409964E+01 Gb(Abramov) 0.1929362E-02 Vb(Abramov) -0.1193557E-02 Hb(Abramov) 0.7358050E-03 Ex_ueg -0.2810201E-03 Ec_ueg -0.5033684E-04 Delta_ex -0.4391878E-03 Delta_ec 0.2735175E-03 Delta_et -0.1262177E-02 Pxc 0.5582791E+01 Qxc -0.1605703E+01 3,+1 54 3 +1 -0.599337 -0.853098 1.512833 Rho 0.1004235E-01 |GRAD(Rho)| 0.2144746E-16 GRAD(Rho)x 0.1462096E-16 GRAD(Rho)y 0.7320297E-17 GRAD(Rho)z -0.1387927E-16 Laplacian 0.3884354E-01 (-1/4)Del**2(Rho)) -0.9710885E-02 Diamond 0.1305344E-02 Metallicity 0.8292518E+00 Ellipticity -0.1548762E+01 Gb(Abramov) 0.7816052E-02 Vb(Abramov) -0.5921218E-02 Hb(Abramov) 0.1894834E-02 Ex_ueg -0.1600167E-02 Ec_ueg -0.3699683E-03 Delta_ex -0.1853741E-02 Delta_ec 0.5602952E-03 Delta_et -0.3973967E-02 Pxc 0.4325147E+01 Qxc -0.3308508E+01 3,+1 55 3 -1 -3.273431 -2.149560 2.303861 Rho 0.2293236E+00 |GRAD(Rho)| 0.9592416E-12 GRAD(Rho)x 0.7437336E-12 GRAD(Rho)y 0.9426262E-13 GRAD(Rho)z -0.5984308E-12 Laplacian 0.8556145E+00 (-1/4)Del**2(Rho)) -0.2139036E+00 Diamond 0.2859130E+01 Metallicity 0.6919630E+01 Ellipticity 0.2206114E-01 Gb(Abramov) 0.3892914E+00 Vb(Abramov) -0.5646792E+00 Hb(Abramov) -0.1753878E+00 Ex_ueg -0.1036693E+00 Ec_ueg -0.1370421E-01 Delta_ex -0.1021253E+00 Delta_ec 0.1909788E-01 Delta_et -0.2638180E+00 Pxc 0.7564777E+01 Qxc -0.5347468E+01 3,-1 56 3 -1 -2.761450 -0.935166 1.632965 Rho 0.7646542E-01 |GRAD(Rho)| 0.2101888E-15 GRAD(Rho)x 0.2314433E-16 GRAD(Rho)y 0.2088072E-15 GRAD(Rho)z 0.6574034E-17 Laplacian 0.3212219E+00 (-1/4)Del**2(Rho)) -0.8030548E-01 Diamond 0.2884375E+00 Metallicity 0.2955175E+01 Ellipticity 0.5368597E-02 Gb(Abramov) 0.9308977E-01 Vb(Abramov) -0.1058741E+00 Hb(Abramov) -0.1278429E-01 Ex_ueg -0.2397021E-01 Ec_ueg -0.3923066E-02 Delta_ex -0.2943251E-01 Delta_ec 0.9466063E-02 Delta_et -0.1110175E+00 Pxc 0.6110070E+01 Qxc -0.3109267E+01 3,-1 57 3 -1 -3.309537 -2.151394 -2.307912 Rho 0.2194865E+00 |GRAD(Rho)| 0.3993180E-14 GRAD(Rho)x -0.1070270E-14 GRAD(Rho)y -0.3487838E-14 GRAD(Rho)z -0.1623267E-14 Laplacian 0.8078970E+00 (-1/4)Del**2(Rho)) -0.2019743E+00 Diamond 0.2570479E+01 Metallicity 0.6811929E+01 Ellipticity 0.1903718E-01 Gb(Abramov) 0.3639552E+00 Vb(Abramov) -0.5259362E+00 Hb(Abramov) -0.1619810E+00 Ex_ueg -0.9778272E-01 Ec_ueg -0.1303261E-01 Delta_ex -0.9539678E-01 Delta_ec 0.1836359E-01 Delta_et -0.2535165E+00 Pxc 0.7502926E+01 Qxc -0.5194887E+01 3,-1 58 3 -1 -1.797270 -1.744672 -0.843270 Rho 0.4769332E-01 |GRAD(Rho)| 0.1077065E-15 GRAD(Rho)x 0.2494893E-16 GRAD(Rho)y -0.3477695E-16 GRAD(Rho)z -0.9883731E-16 Laplacian 0.1948861E+00 (-1/4)Del**2(Rho)) -0.4872152E-01 Diamond 0.9617245E-01 Metallicity 0.2217830E+01 Ellipticity 0.2744717E-01 Gb(Abramov) 0.5049036E-01 Vb(Abramov) -0.5225919E-01 Hb(Abramov) -0.1768836E-02 Ex_ueg -0.1277405E-01 Ec_ueg -0.2287772E-02 Delta_ex -0.1601397E-01 Delta_ec 0.6097628E-02 Delta_et -0.6357806E-01 Pxc 0.5583620E+01 Qxc -0.2626262E+01 3,-1 59 3 -1 -3.041456 -2.119348 -0.804718 Rho 0.1312326E+00 |GRAD(Rho)| 0.1671140E-15 GRAD(Rho)x 0.1168092E-15 GRAD(Rho)y -0.2047279E-17 GRAD(Rho)z -0.1194926E-15 Laplacian 0.4934938E+00 (-1/4)Del**2(Rho)) -0.1233734E+00 Diamond 0.8561095E+00 Metallicity 0.4732252E+01 Ellipticity 0.5218071E-01 Gb(Abramov) 0.1795547E+00 Vb(Abramov) -0.2357359E+00 Hb(Abramov) -0.5618123E-01 Ex_ueg -0.4925392E-01 Ec_ueg -0.7253187E-02 Delta_ex -0.5135098E-01 Delta_ec 0.1302924E-01 Delta_et -0.1701742E+00 Pxc 0.6790659E+01 Qxc -0.3941211E+01 3,-1 60 3 +3 -2.343954 -0.148422 -0.020936 Rho 0.5242177E-02 |GRAD(Rho)| 0.7164380E-17 GRAD(Rho)x -0.1681966E-17 GRAD(Rho)y 0.2080899E-17 GRAD(Rho)z 0.6645991E-17 Laplacian 0.2129440E-01 (-1/4)Del**2(Rho)) -0.5323599E-02 Diamond 0.2255872E-03 Metallicity 0.5119182E+00 Ellipticity -0.7960627E+00 Gb(Abramov) 0.4003274E-02 Vb(Abramov) -0.2682949E-02 Hb(Abramov) 0.1320325E-02 Ex_ueg -0.6725645E-03 Ec_ueg -0.1573495E-03 Delta_ex -0.8037903E-03 Delta_ec 0.1979709E-03 Delta_et -0.1280532E-02 Pxc 0.4274335E+01 Qxc -0.4060145E+01 3,+3 61 3 +1 -1.073895 2.482490 0.557853 Rho 0.2602794E-01 |GRAD(Rho)| 0.3803306E-16 GRAD(Rho)x -0.1217992E-17 GRAD(Rho)y -0.3577143E-16 GRAD(Rho)z -0.1286217E-16 Laplacian 0.1030543E+00 (-1/4)Del**2(Rho)) -0.2576357E-01 Diamond 0.1427650E-01 Metallicity 0.1528551E+01 Ellipticity -0.3729164E+01 Gb(Abramov) 0.2373921E-01 Vb(Abramov) -0.2171484E-01 Hb(Abramov) 0.2024368E-02 Ex_ueg -0.5696893E-02 Ec_ueg -0.1140607E-02 Delta_ex -0.6481872E-02 Delta_ec 0.1754124E-02 Delta_et -0.1563575E-01 Pxc 0.4994614E+01 Qxc -0.3695218E+01 3,+1 62 3 +1 -1.685320 -0.078876 0.743301 Rho 0.1000015E-01 |GRAD(Rho)| 0.7118213E-13 GRAD(Rho)x 0.5184545E-13 GRAD(Rho)y -0.2050705E-13 GRAD(Rho)z -0.4425389E-13 Laplacian 0.3792668E-01 (-1/4)Del**2(Rho)) -0.9481670E-02 Diamond 0.1290137E-02 Metallicity 0.8433592E+00 Ellipticity -0.1603905E+01 Gb(Abramov) 0.7653856E-02 Vb(Abramov) -0.5826041E-02 Hb(Abramov) 0.1827814E-02 Ex_ueg -0.1591209E-02 Ec_ueg -0.3680544E-03 Delta_ex -0.1816481E-02 Delta_ec 0.5621430E-03 Delta_et -0.3971442E-02 Pxc 0.4323298E+01 Qxc -0.3231351E+01 3,+1 63 3 +1 -0.275141 -2.624076 -1.848395 Rho 0.2718460E-02 |GRAD(Rho)| 0.4738106E-17 GRAD(Rho)x 0.4285736E-17 GRAD(Rho)y -0.1133555E-17 GRAD(Rho)z 0.1672473E-17 Laplacian 0.1084454E-01 (-1/4)Del**2(Rho)) -0.2711136E-02 Diamond 0.9369907E-04 Metallicity 0.3364653E+00 Ellipticity -0.1368729E+01 Gb(Abramov) 0.1959458E-02 Vb(Abramov) -0.1207780E-02 Hb(Abramov) 0.7516780E-03 Ex_ueg -0.2802092E-03 Ec_ueg -0.5009017E-04 Delta_ex -0.4444729E-03 Delta_ec 0.2744730E-03 Delta_et -0.1267683E-02 Pxc 0.5594096E+01 Qxc -0.1619368E+01 3,+1 64 3 -1 -2.798566 -0.932366 -1.649970 Rho 0.6884441E-01 |GRAD(Rho)| 0.9648929E-16 GRAD(Rho)x 0.8928574E-17 GRAD(Rho)y 0.9208942E-16 GRAD(Rho)z 0.2738616E-16 Laplacian 0.2921134E+00 (-1/4)Del**2(Rho)) -0.7302834E-01 Diamond 0.2313078E+00 Metallicity 0.2727991E+01 Ellipticity 0.4709236E-02 Gb(Abramov) 0.8188900E-01 Vb(Abramov) -0.9074966E-01 Hb(Abramov) -0.8860659E-02 Ex_ueg -0.2083899E-01 Ec_ueg -0.3480349E-02 Delta_ex -0.2615763E-01 Delta_ec 0.8811660E-02 Delta_et -0.1008595E+00 Pxc 0.5987615E+01 Qxc -0.2968524E+01 3,-1 65 3 +1 -2.250361 -1.837799 -0.211667 Rho 0.3017936E-01 |GRAD(Rho)| 0.5286498E-15 GRAD(Rho)x -0.2695427E-15 GRAD(Rho)y -0.1413837E-15 GRAD(Rho)z -0.4322360E-15 Laplacian 0.1240198E+00 (-1/4)Del**2(Rho)) -0.3100496E-01 Diamond 0.2082896E-01 Metallicity 0.1625444E+01 Ellipticity -0.3721774E+01 Gb(Abramov) 0.2906944E-01 Vb(Abramov) -0.2713393E-01 Hb(Abramov) 0.1935516E-02 Ex_ueg -0.6939556E-02 Ec_ueg -0.1352862E-02 Delta_ex -0.8097161E-02 Delta_ec 0.2075140E-02 Delta_et -0.1916913E-01 Pxc 0.5129536E+01 Qxc -0.3901983E+01 3,+1 66 3 -1 -3.023722 -2.117779 0.797740 Rho 0.1362622E+00 |GRAD(Rho)| 0.5934365E-15 GRAD(Rho)x 0.1106022E-15 GRAD(Rho)y -0.6396115E-16 GRAD(Rho)z 0.5795196E-15 Laplacian 0.5188731E+00 (-1/4)Del**2(Rho)) -0.1297183E+00 Diamond 0.9510500E+00 Metallicity 0.4791934E+01 Ellipticity 0.4441763E-01 Gb(Abramov) 0.1900791E+00 Vb(Abramov) -0.2504399E+00 Hb(Abramov) -0.6036081E-01 Ex_ueg -0.5178676E-01 Ec_ueg -0.7569982E-02 Delta_ex -0.5459015E-01 Delta_ec 0.1376442E-01 Delta_et -0.1812318E+00 Pxc 0.6841068E+01 Qxc -0.3966034E+01 3,-1 67 3 +1 -1.740131 0.004097 2.427406 Rho 0.1174429E-01 |GRAD(Rho)| 0.5167907E-15 GRAD(Rho)x -0.1708942E-15 GRAD(Rho)y -0.4629571E-15 GRAD(Rho)z -0.1534228E-15 Laplacian 0.5760972E-01 (-1/4)Del**2(Rho)) -0.1440243E-01 Diamond 0.2245124E-02 Metallicity 0.7258191E+00 Ellipticity -0.1278105E+01 Gb(Abramov) 0.1134388E-01 Vb(Abramov) -0.8285329E-02 Hb(Abramov) 0.3058550E-02 Ex_ueg -0.1971608E-02 Ec_ueg -0.4477772E-03 Delta_ex -0.2816894E-02 Delta_ec 0.7498313E-03 Delta_et -0.5591312E-02 Pxc 0.4403100E+01 Qxc -0.3756703E+01 3,+1 68 3 +3 0.031485 1.593139 -1.590202 Rho 0.4571335E-02 |GRAD(Rho)| 0.9818123E-11 GRAD(Rho)x -0.6144143E-11 GRAD(Rho)y -0.7501989E-11 GRAD(Rho)z -0.1537929E-11 Laplacian 0.1877152E-01 (-1/4)Del**2(Rho)) -0.4692880E-02 Diamond 0.1493944E-03 Metallicity 0.4622237E+00 Ellipticity -0.2968991E+00 Gb(Abramov) 0.3490113E-02 Vb(Abramov) -0.2287347E-02 Hb(Abramov) 0.1202767E-02 Ex_ueg -0.5603282E-03 Ec_ueg -0.1285125E-03 Delta_ex -0.6676446E-03 Delta_ec 0.1451679E-03 Delta_et -0.9493187E-03 Pxc 0.4360107E+01 Qxc -0.4599121E+01 3,+3 69 3 -1 -3.196945 2.217250 -2.318933 Rho 0.2335953E+00 |GRAD(Rho)| 0.1888196E-13 GRAD(Rho)x -0.1470899E-13 GRAD(Rho)y -0.1983060E-14 GRAD(Rho)z -0.1167225E-13 Laplacian 0.8632662E+00 (-1/4)Del**2(Rho)) -0.2158165E+00 Diamond 0.2946295E+01 Metallicity 0.7072538E+01 Ellipticity 0.8314533E-02 Gb(Abramov) 0.3982728E+00 Vb(Abramov) -0.5807291E+00 Hb(Abramov) -0.1824563E+00 Ex_ueg -0.1062520E+00 Ec_ueg -0.1399750E-01 Delta_ex -0.1035171E+00 Delta_ec 0.1913375E-01 Delta_et -0.2643860E+00 Pxc 0.7590786E+01 Qxc -0.5410182E+01 3,-1 70 3 -1 -2.996726 2.063582 -0.803938 Rho 0.1341995E+00 |GRAD(Rho)| 0.1768326E-11 GRAD(Rho)x 0.1133578E-11 GRAD(Rho)y 0.1347966E-12 GRAD(Rho)z -0.1350484E-11 Laplacian 0.5244360E+00 (-1/4)Del**2(Rho)) -0.1311090E+00 Diamond 0.9337444E+00 Metallicity 0.4622094E+01 Ellipticity 0.3674263E-01 Gb(Abramov) 0.1884057E+00 Vb(Abramov) -0.2457024E+00 Hb(Abramov) -0.5729669E-01 Ex_ueg -0.5074418E-01 Ec_ueg -0.7439861E-02 Delta_ex -0.5485661E-01 Delta_ec 0.1375553E-01 Delta_et -0.1802743E+00 Pxc 0.6820581E+01 Qxc -0.3987967E+01 3,-1 71 3 -1 -2.777641 0.890270 1.626106 Rho 0.1885524E+00 |GRAD(Rho)| 0.8129030E-15 GRAD(Rho)x 0.5750066E-15 GRAD(Rho)y -0.3947038E-15 GRAD(Rho)z 0.4175974E-15 Laplacian 0.7718607E+00 (-1/4)Del**2(Rho)) -0.1929652E+00 Diamond 0.2026876E+01 Metallicity 0.5535129E+01 Ellipticity 0.2024848E-01 Gb(Abramov) 0.3066580E+00 Vb(Abramov) -0.4203507E+00 Hb(Abramov) -0.1136928E+00 Ex_ueg -0.7985360E-01 Ec_ueg -0.1095562E-01 Delta_ex -0.8752513E-01 Delta_ec 0.1804617E-01 Delta_et -0.2454800E+00 Pxc 0.7288828E+01 Qxc -0.4850065E+01 3,-1 72 3 -1 -2.794010 0.903607 -1.649653 Rho 0.1927921E+00 |GRAD(Rho)| 0.5803528E-15 GRAD(Rho)x -0.1657610E-15 GRAD(Rho)y -0.4954804E-15 GRAD(Rho)z -0.2526496E-15 Laplacian 0.7841155E+00 (-1/4)Del**2(Rho)) -0.1960289E+00 Diamond 0.2114680E+01 Metallicity 0.5654338E+01 Ellipticity 0.1967819E-01 Gb(Abramov) 0.3154215E+00 Vb(Abramov) -0.4348142E+00 Hb(Abramov) -0.1193926E+00 Ex_ueg -0.8225658E-01 Ec_ueg -0.1123712E-01 Delta_ex -0.8941859E-01 Delta_ec 0.1822073E-01 Delta_et -0.2483216E+00 Pxc 0.7320080E+01 Qxc -0.4907520E+01 3,-1 73 3 +1 -0.547681 0.761107 -1.551502 Rho 0.8756070E-02 |GRAD(Rho)| 0.4171608E-17 GRAD(Rho)x -0.1263164E-17 GRAD(Rho)y 0.1998561E-17 GRAD(Rho)z -0.3436929E-17 Laplacian 0.3405081E-01 (-1/4)Del**2(Rho)) -0.8512704E-02 Diamond 0.8976893E-03 Metallicity 0.7527794E+00 Ellipticity -0.1411477E+01 Gb(Abramov) 0.6743167E-02 Vb(Abramov) -0.4973631E-02 Hb(Abramov) 0.1769537E-02 Ex_ueg -0.1332899E-02 Ec_ueg -0.3119685E-03 Delta_ex -0.1546767E-02 Delta_ec 0.4507428E-03 Delta_et -0.3118029E-02 Pxc 0.4272544E+01 Qxc -0.3431596E+01 3,+1 74 3 -1 -1.978201 2.716539 -1.508874 Rho 0.1194354E+00 |GRAD(Rho)| 0.1090432E-12 GRAD(Rho)x -0.8386963E-13 GRAD(Rho)y 0.4107675E-13 GRAD(Rho)z -0.5629390E-13 Laplacian 0.4747758E+00 (-1/4)Del**2(Rho)) -0.1186940E+00 Diamond 0.7299619E+00 Metallicity 0.4204162E+01 Ellipticity 0.2162660E-01 Gb(Abramov) 0.1622974E+00 Vb(Abramov) -0.2059009E+00 Hb(Abramov) -0.4360346E-01 Ex_ueg -0.4344058E-01 Ec_ueg -0.6516730E-02 Delta_ex -0.4822698E-01 Delta_ec 0.1268359E-01 Delta_et -0.1628219E+00 Pxc 0.6666010E+01 Qxc -0.3802312E+01 3,-1 75 3 -1 -2.211102 -2.919033 -1.735998 Rho 0.2202444E+00 |GRAD(Rho)| 0.6534636E-15 GRAD(Rho)x -0.3915325E-15 GRAD(Rho)y 0.4238688E-15 GRAD(Rho)z 0.3066793E-15 Laplacian 0.8414198E+00 (-1/4)Del**2(Rho)) -0.2103550E+00 Diamond 0.2657439E+01 Metallicity 0.6578224E+01 Ellipticity 0.1357148E-01 Gb(Abramov) 0.3708637E+00 Vb(Abramov) -0.5313724E+00 Hb(Abramov) -0.1605087E+00 Ex_ueg -0.9823321E-01 Ec_ueg -0.1308417E-01 Delta_ex -0.9925974E-01 Delta_ec 0.1877834E-01 Delta_et -0.2579984E+00 Pxc 0.7507791E+01 Qxc -0.5285863E+01 3,-1 76 3 +1 -0.267405 -2.718666 1.267017 Rho 0.2716915E-02 |GRAD(Rho)| 0.1036390E-11 GRAD(Rho)x 0.4405146E-12 GRAD(Rho)y -0.6442197E-12 GRAD(Rho)z 0.6819326E-12 Laplacian 0.1066723E-01 (-1/4)Del**2(Rho)) -0.2666806E-02 Diamond 0.8477464E-04 Metallicity 0.3417342E+00 Ellipticity -0.1298452E+01 Gb(Abramov) 0.1929761E-02 Vb(Abramov) -0.1192715E-02 Hb(Abramov) 0.7370457E-03 Ex_ueg -0.2799969E-03 Ec_ueg -0.5002554E-04 Delta_ex -0.4218248E-03 Delta_ec 0.2426087E-03 Delta_et -0.1134452E-02 Pxc 0.5597078E+01 Qxc -0.1738705E+01 3,+1 77 3 -1 -2.178511 -2.936486 1.715203 Rho 0.2307926E+00 |GRAD(Rho)| 0.4596824E-15 GRAD(Rho)x -0.1447410E-15 GRAD(Rho)y 0.4349819E-15 GRAD(Rho)z 0.3389254E-16 Laplacian 0.8880307E+00 (-1/4)Del**2(Rho)) -0.2220077E+00 Diamond 0.2960469E+01 Metallicity 0.6738371E+01 Ellipticity 0.1321125E-01 Gb(Abramov) 0.3973335E+00 Vb(Abramov) -0.5726593E+00 Hb(Abramov) -0.1753258E+00 Ex_ueg -0.1045557E+00 Ec_ueg -0.1380495E-01 Delta_ex -0.1060031E+00 Delta_ec 0.1948553E-01 Delta_et -0.2679884E+00 Pxc 0.7573778E+01 Qxc -0.5440093E+01 3,-1 78 3 -1 -0.829771 3.540757 0.708037 Rho 0.1377524E+00 |GRAD(Rho)| 0.1973208E-12 GRAD(Rho)x 0.1669562E-12 GRAD(Rho)y 0.1635358E-13 GRAD(Rho)z -0.1038926E-12 Laplacian 0.5355867E+00 (-1/4)Del**2(Rho)) -0.1338967E+00 Diamond 0.9700053E+00 Metallicity 0.4727324E+01 Ellipticity 0.4982003E-01 Gb(Abramov) 0.1947599E+00 Vb(Abramov) -0.2556232E+00 Hb(Abramov) -0.6086327E-01 Ex_ueg -0.5254330E-01 Ec_ueg -0.7664163E-02 Delta_ex -0.5622250E-01 Delta_ec 0.1368080E-01 Delta_et -0.1794661E+00 Pxc 0.6855713E+01 Qxc -0.4109592E+01 3,-1 79 3 +1 -1.760225 0.018869 -2.438996 Rho 0.1161684E-01 |GRAD(Rho)| 0.1179987E-15 GRAD(Rho)x -0.9084295E-16 GRAD(Rho)y 0.4231866E-16 GRAD(Rho)z 0.6229273E-16 Laplacian 0.5675410E-01 (-1/4)Del**2(Rho)) -0.1418852E-01 Diamond 0.2203398E-02 Metallicity 0.7234848E+00 Ellipticity -0.1290728E+01 Gb(Abramov) 0.1116988E-01 Vb(Abramov) -0.8151235E-02 Hb(Abramov) 0.3018644E-02 Ex_ueg -0.1943133E-02 Ec_ueg -0.4419101E-03 Delta_ex -0.2774481E-02 Delta_ec 0.7518691E-03 Delta_et -0.5581246E-02 Pxc 0.4397123E+01 Qxc -0.3690112E+01 3,+1 80 3 +1 -2.186906 1.754567 -0.051592 Rho 0.2785018E-01 |GRAD(Rho)| 0.7384678E-15 GRAD(Rho)x -0.5999367E-15 GRAD(Rho)y 0.1847972E-15 GRAD(Rho)z -0.3889225E-15 Laplacian 0.1091489E+00 (-1/4)Del**2(Rho)) -0.2728723E-01 Diamond 0.1675716E-01 Metallicity 0.1615500E+01 Ellipticity -0.4755778E+01 Gb(Abramov) 0.2553857E-01 Vb(Abramov) -0.2378992E-01 Hb(Abramov) 0.1748656E-02 Ex_ueg -0.6234797E-02 Ec_ueg -0.1233260E-02 Delta_ex -0.7005940E-02 Delta_ec 0.1884606E-02 Delta_et -0.1707197E-01 Pxc 0.5055543E+01 Qxc -0.3717456E+01 3,+1 81 3 +3 -1.139454 -0.006944 1.584719 Rho 0.5653398E-02 |GRAD(Rho)| 0.7885816E-17 GRAD(Rho)x 0.5747069E-18 GRAD(Rho)y -0.6362298E-17 GRAD(Rho)z 0.4623523E-17 Laplacian 0.2200363E-01 (-1/4)Del**2(Rho)) -0.5500907E-02 Diamond 0.1742701E-03 Metallicity 0.5618687E+00 Ellipticity -0.3128143E+00 Gb(Abramov) 0.4182403E-02 Vb(Abramov) -0.2863898E-02 Hb(Abramov) 0.1318504E-02 Ex_ueg -0.7438143E-03 Ec_ueg -0.1751387E-03 Delta_ex -0.7807116E-03 Delta_ec 0.8625597E-04 Delta_et -0.7274758E-03 Pxc 0.4247002E+01 Qxc -0.9051102E+01 3,+3 82 3 +1 -1.710099 -0.097249 -0.750123 Rho 0.9291201E-02 |GRAD(Rho)| 0.1712798E-16 GRAD(Rho)x 0.1111368E-16 GRAD(Rho)y -0.1188718E-16 GRAD(Rho)z 0.5343110E-17 Laplacian 0.3502231E-01 (-1/4)Del**2(Rho)) -0.8755579E-02 Diamond 0.1108331E-02 Metallicity 0.8079567E+00 Ellipticity -0.1616308E+01 Gb(Abramov) 0.7016074E-02 Vb(Abramov) -0.5276569E-02 Hb(Abramov) 0.1739505E-02 Ex_ueg -0.1442605E-02 Ec_ueg -0.3360114E-03 Delta_ex -0.1658876E-02 Delta_ec 0.5413644E-03 Delta_et -0.3735842E-02 Pxc 0.4293322E+01 Qxc -0.3064250E+01 3,+1 83 3 +3 -1.163456 -0.009819 -1.574660 Rho 0.5454917E-02 |GRAD(Rho)| 0.2681885E-16 GRAD(Rho)x 0.2636965E-16 GRAD(Rho)y 0.4887905E-17 GRAD(Rho)z -0.1749983E-19 Laplacian 0.2106512E-01 (-1/4)Del**2(Rho)) -0.5266280E-02 Diamond 0.1626210E-03 Metallicity 0.5529631E+00 Ellipticity -0.3939182E+00 Gb(Abramov) 0.3996197E-02 Vb(Abramov) -0.2726113E-02 Hb(Abramov) 0.1270084E-02 Ex_ueg -0.7092009E-03 Ec_ueg -0.1665420E-03 Delta_ex -0.7430518E-03 Delta_ec 0.8816011E-04 Delta_et -0.7215374E-03 Pxc 0.4258391E+01 Qxc -0.8428436E+01 3,+3 84 3 -1 -1.834394 -1.643391 -2.334025 Rho 0.1115502E+00 |GRAD(Rho)| 0.5998054E-14 GRAD(Rho)x 0.4680128E-14 GRAD(Rho)y 0.1753531E-14 GRAD(Rho)z -0.3316351E-14 Laplacian 0.4577794E+00 (-1/4)Del**2(Rho)) -0.1144449E+00 Diamond 0.6483293E+00 Metallicity 0.3891117E+01 Ellipticity 0.1482882E-01 Gb(Abramov) 0.1505163E+00 Vb(Abramov) -0.1865878E+00 Hb(Abramov) -0.3607145E-01 Ex_ueg -0.3965936E-01 Ec_ueg -0.6029885E-02 Delta_ex -0.4575286E-01 Delta_ec 0.1242471E-01 Delta_et -0.1575601E+00 Pxc 0.6577134E+01 Qxc -0.3682408E+01 3,-1 85 3 -1 -1.767758 -1.740153 0.843113 Rho 0.5696385E-01 |GRAD(Rho)| 0.6271504E-16 GRAD(Rho)x 0.4270825E-16 GRAD(Rho)y -0.3609038E-16 GRAD(Rho)z 0.2840186E-16 Laplacian 0.2288243E+00 (-1/4)Del**2(Rho)) -0.5720607E-01 Diamond 0.1399700E+00 Metallicity 0.2539666E+01 Ellipticity 0.1548228E-01 Gb(Abramov) 0.6235143E-01 Vb(Abramov) -0.6749679E-01 Hb(Abramov) -0.5145359E-02 Ex_ueg -0.1618766E-01 Ec_ueg -0.2803278E-02 Delta_ex -0.1952021E-01 Delta_ec 0.6906699E-02 Delta_et -0.7536329E-01 Pxc 0.5774548E+01 Qxc -0.2826272E+01 3,-1 86 3 -1 -1.795021 -1.647514 2.330608 Rho 0.1273405E+00 |GRAD(Rho)| 0.2261790E-15 GRAD(Rho)x 0.1830404E-15 GRAD(Rho)y 0.9213008E-16 GRAD(Rho)z 0.9573505E-16 Laplacian 0.5284513E+00 (-1/4)Del**2(Rho)) -0.1321128E+00 Diamond 0.8871537E+00 Metallicity 0.4202935E+01 Ellipticity 0.1376637E-01 Gb(Abramov) 0.1806188E+00 Vb(Abramov) -0.2291248E+00 Hb(Abramov) -0.4850599E-01 Ex_ueg -0.4731592E-01 Ec_ueg -0.7009179E-02 Delta_ex -0.5462862E-01 Delta_ec 0.1411818E-01 Delta_et -0.1836027E+00 Pxc 0.6750565E+01 Qxc -0.3869381E+01 3,-1 87 3 -1 -1.792562 1.565043 2.338451 Rho 0.1352120E+00 |GRAD(Rho)| 0.7795185E-15 GRAD(Rho)x 0.2599781E-15 GRAD(Rho)y 0.7337745E-15 GRAD(Rho)z -0.4044074E-16 Laplacian 0.5612125E+00 (-1/4)Del**2(Rho)) -0.1403031E+00 Diamond 0.1009034E+01 Metallicity 0.4373656E+01 Ellipticity 0.8520026E-02 Gb(Abramov) 0.1958083E+00 Vb(Abramov) -0.2513135E+00 Hb(Abramov) -0.5550521E-01 Ex_ueg -0.5125529E-01 Ec_ueg -0.7503699E-02 Delta_ex -0.5881886E-01 Delta_ec 0.1470879E-01 Delta_et -0.1930265E+00 Pxc 0.6830670E+01 Qxc -0.3998891E+01 3,-1 88 3 -1 -1.793467 1.576467 -2.357972 Rho 0.1416710E+00 |GRAD(Rho)| 0.4036764E-09 GRAD(Rho)x -0.3000011E-09 GRAD(Rho)y 0.1071528E-09 GRAD(Rho)z 0.2479361E-09 Laplacian 0.5870057E+00 (-1/4)Del**2(Rho)) -0.1467514E+00 Diamond 0.1114708E+01 Metallicity 0.4519662E+01 Ellipticity 0.1063504E-01 Gb(Abramov) 0.2083788E+00 Vb(Abramov) -0.2700061E+00 Hb(Abramov) -0.6162734E-01 Ex_ueg -0.5454561E-01 Ec_ueg -0.7912491E-02 Delta_ex -0.6220647E-01 Delta_ec 0.1518215E-01 Delta_et -0.2006133E+00 Pxc 0.6893608E+01 Qxc -0.4097342E+01 3,-1 89 3 -1 -1.739279 1.562054 -0.843776 Rho 0.4788018E-01 |GRAD(Rho)| 0.7131649E-16 GRAD(Rho)x -0.1058918E-16 GRAD(Rho)y 0.4462593E-17 GRAD(Rho)z -0.7038463E-16 Laplacian 0.1907880E+00 (-1/4)Del**2(Rho)) -0.4769700E-01 Diamond 0.9036199E-01 Metallicity 0.2280281E+01 Ellipticity 0.1826028E-01 Gb(Abramov) 0.4992509E-01 Vb(Abramov) -0.5215319E-01 Hb(Abramov) -0.2228096E-02 Ex_ueg -0.1284082E-01 Ec_ueg -0.2298037E-02 Delta_ex -0.1549659E-01 Delta_ec 0.5619524E-02 Delta_et -0.5857137E-01 Pxc 0.5587733E+01 Qxc -0.2757633E+01 3,-1 90 3 -1 -1.738942 1.559367 0.830994 Rho 0.5027703E-01 |GRAD(Rho)| 0.7745900E-16 GRAD(Rho)x -0.6318908E-16 GRAD(Rho)y 0.2178357E-16 GRAD(Rho)z 0.3914732E-16 Laplacian 0.2017284E+00 (-1/4)Del**2(Rho)) -0.5043209E-01 Diamond 0.1023186E+00 Metallicity 0.2339532E+01 Ellipticity 0.1896346E-01 Gb(Abramov) 0.5328597E-01 Vb(Abramov) -0.5613986E-01 Hb(Abramov) -0.2853883E-02 Ex_ueg -0.1370496E-01 Ec_ueg -0.2430193E-02 Delta_ex -0.1659733E-01 Delta_ec 0.5955912E-02 Delta_et -0.6287875E-01 Pxc 0.5639455E+01 Qxc -0.2786699E+01 3,-1 91 3 +3 -1.882807 2.727956 -0.001793 Rho 0.1233646E-01 |GRAD(Rho)| 0.6346289E-13 GRAD(Rho)x 0.5577984E-13 GRAD(Rho)y 0.3026793E-13 GRAD(Rho)z -0.1863880E-16 Laplacian 0.5706096E-01 (-1/4)Del**2(Rho)) -0.1426524E-01 Diamond 0.1377637E-02 Metallicity 0.7954113E+00 Ellipticity -0.8006952E+00 Gb(Abramov) 0.1140128E-01 Vb(Abramov) -0.8537324E-02 Hb(Abramov) 0.2863958E-02 Ex_ueg -0.2105261E-02 Ec_ueg -0.4751234E-03 Delta_ex -0.2547617E-02 Delta_ec 0.2447778E-03 Delta_et -0.2223226E-02 Pxc 0.4430976E+01 Qxc -0.1040788E+02 3,+3 92 3 +3 -0.291728 -2.489835 -1.571159 Rho 0.2659242E-02 |GRAD(Rho)| 0.4561156E-15 GRAD(Rho)x -0.2284843E-15 GRAD(Rho)y 0.1924964E-15 GRAD(Rho)z 0.3446469E-15 Laplacian 0.1072884E-01 (-1/4)Del**2(Rho)) -0.2682209E-02 Diamond 0.7081177E-04 Metallicity 0.3278363E+00 Ellipticity -0.1482754E+00 Gb(Abramov) 0.1934693E-02 Vb(Abramov) -0.1187178E-02 Hb(Abramov) 0.7475154E-03 Ex_ueg -0.2721002E-03 Ec_ueg -0.4761448E-04 Delta_ex -0.3965482E-03 Delta_ec 0.1977146E-03 Delta_et -0.9452787E-03 Pxc 0.5714653E+01 Qxc -0.2005660E+01 3,+3 93 3 +1 -0.323272 -2.734860 -1.246624 Rho 0.2773471E-02 |GRAD(Rho)| 0.8797587E-14 GRAD(Rho)x 0.6763022E-14 GRAD(Rho)y 0.5553184E-14 GRAD(Rho)z -0.9062123E-15 Laplacian 0.1111946E-01 (-1/4)Del**2(Rho)) -0.2779865E-02 Diamond 0.9090621E-04 Metallicity 0.3392882E+00 Ellipticity -0.1311610E+01 Gb(Abramov) 0.2010439E-02 Vb(Abramov) -0.1241013E-02 Hb(Abramov) 0.7694257E-03 Ex_ueg -0.2877949E-03 Ec_ueg -0.5239168E-04 Delta_ex -0.4416186E-03 Delta_ec 0.2531140E-03 Delta_et -0.1190646E-02 Pxc 0.5493142E+01 Qxc -0.1744742E+01 3,+1 94 3 +1 -0.627301 -0.851504 -1.504147 Rho 0.9593079E-02 |GRAD(Rho)| 0.1188677E-16 GRAD(Rho)x 0.7410109E-17 GRAD(Rho)y 0.4622484E-17 GRAD(Rho)z -0.8063383E-17 Laplacian 0.3673627E-01 (-1/4)Del**2(Rho)) -0.9184067E-02 Diamond 0.1196634E-02 Metallicity 0.8124217E+00 Ellipticity -0.1585616E+01 Gb(Abramov) 0.7366267E-02 Vb(Abramov) -0.5548467E-02 Hb(Abramov) 0.1817800E-02 Ex_ueg -0.1505436E-02 Ec_ueg -0.3496294E-03 Delta_ex -0.1747186E-02 Delta_ec 0.5555384E-03 Delta_et -0.3874656E-02 Pxc 0.4305806E+01 Qxc -0.3145032E+01 3,+1 95 3 +1 -1.095514 2.471983 -0.570983 Rho 0.2586096E-01 |GRAD(Rho)| 0.7027006E-15 GRAD(Rho)x 0.2900505E-15 GRAD(Rho)y 0.6355165E-15 GRAD(Rho)z 0.7601045E-16 Laplacian 0.1028147E+00 (-1/4)Del**2(Rho)) -0.2570368E-01 Diamond 0.1461450E-01 Metallicity 0.1515766E+01 Ellipticity -0.4512558E+01 Gb(Abramov) 0.2362925E-01 Vb(Abramov) -0.2155482E-01 Hb(Abramov) 0.2074433E-02 Ex_ueg -0.5648214E-02 Ec_ueg -0.1132159E-02 Delta_ex -0.6507254E-02 Delta_ec 0.1842137E-02 Delta_et -0.1637552E-01 Pxc 0.4988888E+01 Qxc -0.3532448E+01 3,+1 96 3 +1 -0.179820 2.237800 1.940360 Rho 0.5752721E-02 |GRAD(Rho)| 0.5104139E-17 GRAD(Rho)x -0.3860921E-17 GRAD(Rho)y -0.3215816E-17 GRAD(Rho)z 0.8966908E-18 Laplacian 0.2405660E-01 (-1/4)Del**2(Rho)) -0.6014151E-02 Diamond 0.6232500E-03 Metallicity 0.5290553E+00 Ellipticity -0.2279646E+01 Gb(Abramov) 0.4539737E-02 Vb(Abramov) -0.3065323E-02 Hb(Abramov) 0.1474414E-02 Ex_ueg -0.7612889E-03 Ec_ueg -0.1794479E-03 Delta_ex -0.1187485E-02 Delta_ec 0.6830004E-03 Delta_et -0.3898165E-02 Pxc 0.4242395E+01 Qxc -0.1738630E+01 3,+1 97 3 -1 0.036930 2.090122 -2.094855 Rho 0.5833959E-02 |GRAD(Rho)| 0.5657921E-12 GRAD(Rho)x 0.2311946E-12 GRAD(Rho)y 0.4604715E-12 GRAD(Rho)z 0.2337430E-12 Laplacian 0.2351221E-01 (-1/4)Del**2(Rho)) -0.5878053E-02 Diamond 0.7791238E-03 Metallicity 0.5541048E+00 Ellipticity 0.2848738E+01 Gb(Abramov) 0.4461545E-02 Vb(Abramov) -0.3045037E-02 Hb(Abramov) 0.1416508E-02 Ex_ueg -0.7756567E-03 Ec_ueg -0.1829761E-03 Delta_ex -0.1283654E-02 Delta_ec 0.8812839E-03 Delta_et -0.4956856E-02 Pxc 0.4239114E+01 Qxc -0.1456573E+01 3,-1 98 3 -1 -0.205934 -3.371737 1.611168 Rho 0.3539412E-02 |GRAD(Rho)| 0.2211487E-15 GRAD(Rho)x -0.1675360E-15 GRAD(Rho)y 0.1407171E-15 GRAD(Rho)z -0.3220427E-16 Laplacian 0.1319849E-01 (-1/4)Del**2(Rho)) -0.3299624E-02 Diamond 0.3104765E-03 Metallicity 0.4291812E+00 Ellipticity 0.1945501E+00 Gb(Abramov) 0.2435772E-02 Vb(Abramov) -0.1571920E-02 Hb(Abramov) 0.8638518E-03 Ex_ueg -0.3983761E-03 Ec_ueg -0.8460962E-04 Delta_ex -0.7870961E-03 Delta_ec 0.7229017E-03 Delta_et -0.3410510E-02 Pxc 0.4708402E+01 Qxc -0.1088801E+01 3,-1 99 3 +1 2.044031 0.009732 -2.825760 Rho 0.1183197E-01 |GRAD(Rho)| 0.2062449E-16 GRAD(Rho)x 0.8841000E-17 GRAD(Rho)y 0.1859079E-16 GRAD(Rho)z 0.1260456E-17 Laplacian 0.5525429E-01 (-1/4)Del**2(Rho)) -0.1381357E-01 Diamond 0.1752988E-02 Metallicity 0.7662001E+00 Ellipticity -0.1120138E+01 Gb(Abramov) 0.1097304E-01 Vb(Abramov) -0.8132511E-02 Hb(Abramov) 0.2840531E-02 Ex_ueg -0.1991259E-02 Ec_ueg -0.4518177E-03 Delta_ex -0.2582635E-02 Delta_ec 0.4970965E-03 Delta_et -0.3884957E-02 Pxc 0.4407218E+01 Qxc -0.5195439E+01 3,+1 100 3 +1 1.677926 -0.779438 -0.014845 Rho 0.8476714E-02 |GRAD(Rho)| 0.5001501E-17 GRAD(Rho)x 0.2483186E-17 GRAD(Rho)y -0.2832986E-17 GRAD(Rho)z 0.3289832E-17 Laplacian 0.3417126E-01 (-1/4)Del**2(Rho)) -0.8542814E-02 Diamond 0.8886183E-03 Metallicity 0.7106648E+00 Ellipticity -0.1394899E+01 Gb(Abramov) 0.6707055E-02 Vb(Abramov) -0.4871297E-02 Hb(Abramov) 0.1835758E-02 Ex_ueg -0.1276503E-02 Ec_ueg -0.2994674E-03 Delta_ex -0.1551695E-02 Delta_ec 0.4742593E-03 Delta_et -0.3234898E-02 Pxc 0.4262578E+01 Qxc -0.3271829E+01 3,+1 101 3 +3 1.953501 0.032101 2.686124 Rho 0.1178857E-01 |GRAD(Rho)| 0.2814699E-16 GRAD(Rho)x 0.1264737E-16 GRAD(Rho)y 0.1875512E-16 GRAD(Rho)z -0.1674940E-16 Laplacian 0.5469383E-01 (-1/4)Del**2(Rho)) -0.1367346E-01 Diamond 0.1314474E-02 Metallicity 0.7693249E+00 Ellipticity -0.7905694E+00 Gb(Abramov) 0.1086886E-01 Vb(Abramov) -0.8064263E-02 Hb(Abramov) 0.2804597E-02 Ex_ueg -0.1981526E-02 Ec_ueg -0.4498173E-03 Delta_ex -0.2431945E-02 Delta_ec 0.2744112E-03 Delta_et -0.2386509E-02 Pxc 0.4405179E+01 Qxc -0.8862413E+01 3,+3 102 3 -1 -0.567819 -0.686376 -3.193024 Rho 0.1513042E+00 |GRAD(Rho)| 0.1110583E-13 GRAD(Rho)x -0.1061027E-13 GRAD(Rho)y 0.2491469E-14 GRAD(Rho)z 0.2134062E-14 Laplacian 0.6398070E+00 (-1/4)Del**2(Rho)) -0.1599518E+00 Diamond 0.1295615E+01 Metallicity 0.4627171E+01 Ellipticity 0.2136682E-01 Gb(Abramov) 0.2299885E+00 Vb(Abramov) -0.3000253E+00 Hb(Abramov) -0.7003677E-01 Ex_ueg -0.5954603E-01 Ec_ueg -0.8527051E-02 Delta_ex -0.6871286E-01 Delta_ec 0.1594345E-01 Delta_et -0.2118975E+00 Pxc 0.6983192E+01 Qxc -0.4309786E+01 3,-1 103 3 +1 0.530497 1.496430 0.851050 Rho 0.7163348E-02 |GRAD(Rho)| 0.3324352E-16 GRAD(Rho)x -0.2687054E-16 GRAD(Rho)y -0.1381697E-16 GRAD(Rho)z -0.1386352E-16 Laplacian 0.2798690E-01 (-1/4)Del**2(Rho)) -0.6996724E-02 Diamond 0.6103414E-03 Metallicity 0.6554182E+00 Ellipticity -0.1419687E+01 Gb(Abramov) 0.5428779E-02 Vb(Abramov) -0.3860835E-02 Hb(Abramov) 0.1567945E-02 Ex_ueg -0.1019858E-02 Ec_ueg -0.2411664E-03 Delta_ex -0.1236359E-02 Delta_ec 0.4208608E-03 Delta_et -0.2720675E-02 Pxc 0.4228857E+01 Qxc -0.2937691E+01 3,+1 104 3 -1 -0.570882 -0.796338 0.006236 Rho 0.1877348E+00 |GRAD(Rho)| 0.1361431E-13 GRAD(Rho)x 0.8232998E-14 GRAD(Rho)y 0.1084202E-13 GRAD(Rho)z -0.1333298E-15 Laplacian 0.5015768E+00 (-1/4)Del**2(Rho)) -0.1253942E+00 Diamond 0.1338096E+01 Metallicity 0.8456360E+01 Ellipticity 0.2669459E-01 Gb(Abramov) 0.2603259E+00 Vb(Abramov) -0.3952576E+00 Hb(Abramov) -0.1349317E+00 Ex_ueg -0.7939222E-01 Ec_ueg -0.1090144E-01 Delta_ex -0.5701907E-01 Delta_ec 0.1210770E-01 Delta_et -0.1658232E+00 Pxc 0.7282725E+01 Qxc -0.4709322E+01 3,-1 105 3 +3 1.108446 1.486649 0.021320 Rho 0.4123006E-02 |GRAD(Rho)| 0.4935884E-17 GRAD(Rho)x 0.4359411E-18 GRAD(Rho)y 0.4706222E-17 GRAD(Rho)z -0.1422808E-17 Laplacian 0.1615080E-01 (-1/4)Del**2(Rho)) -0.4037700E-02 Diamond 0.9668384E-04 Metallicity 0.4523165E+00 Ellipticity -0.9872381E-01 Gb(Abramov) 0.2996186E-02 Vb(Abramov) -0.1954673E-02 Hb(Abramov) 0.1041514E-02 Ex_ueg -0.4882816E-03 Ec_ueg -0.1093696E-03 Delta_ex -0.5411500E-03 Delta_ec 0.9266989E-04 Delta_et -0.6458672E-03 Pxc 0.4464509E+01 Qxc -0.5839545E+01 3,+3 106 3 -1 -0.555058 -0.690714 3.188262 Rho 0.1456436E+00 |GRAD(Rho)| 0.7708242E-13 GRAD(Rho)x 0.5398594E-13 GRAD(Rho)y 0.5460867E-13 GRAD(Rho)z 0.6716497E-14 Laplacian 0.6192201E+00 (-1/4)Del**2(Rho)) -0.1548050E+00 Diamond 0.1201778E+01 Metallicity 0.4486633E+01 Ellipticity 0.1855755E-01 Gb(Abramov) 0.2189622E+00 Vb(Abramov) -0.2831194E+00 Hb(Abramov) -0.6415721E-01 Ex_ueg -0.5659442E-01 Ec_ueg -0.8165228E-02 Delta_ex -0.6592165E-01 Delta_ec 0.1565163E-01 Delta_et -0.2071009E+00 Pxc 0.6931150E+01 Qxc -0.4211808E+01 3,-1 107 3 +1 -0.185423 2.248386 -1.938380 Rho 0.5738372E-02 |GRAD(Rho)| 0.8206140E-14 GRAD(Rho)x -0.1149824E-14 GRAD(Rho)y 0.7104229E-14 GRAD(Rho)z 0.3943168E-14 Laplacian 0.2408827E-01 (-1/4)Del**2(Rho)) -0.6022068E-02 Diamond 0.6189824E-03 Metallicity 0.5261650E+00 Ellipticity -0.2212134E+01 Gb(Abramov) 0.4542812E-02 Vb(Abramov) -0.3063556E-02 Hb(Abramov) 0.1479256E-02 Ex_ueg -0.7587580E-03 Ec_ueg -0.1788250E-03 Delta_ex -0.1186130E-02 Delta_ec 0.6797704E-03 Delta_et -0.3878682E-02 Pxc 0.4243019E+01 Qxc -0.1744898E+01 3,+1 108 3 -1 -0.239850 -3.341053 -1.603717 Rho 0.3589890E-02 |GRAD(Rho)| 0.7874532E-17 GRAD(Rho)x -0.3598008E-17 GRAD(Rho)y 0.6978643E-17 GRAD(Rho)z 0.6009438E-18 Laplacian 0.1366048E-01 (-1/4)Del**2(Rho)) -0.3415120E-02 Diamond 0.3339256E-03 Metallicity 0.4245698E+00 Ellipticity 0.1766235E+00 Gb(Abramov) 0.2518406E-02 Vb(Abramov) -0.1621692E-02 Hb(Abramov) 0.8967139E-03 Ex_ueg -0.4059694E-03 Ec_ueg -0.8674406E-04 Delta_ex -0.8255887E-03 Delta_ec 0.7647929E-03 Delta_et -0.3620325E-02 Pxc 0.4680083E+01 Qxc -0.1079493E+01 3,-1 109 3 -1 -0.547631 0.701808 -3.206941 Rho 0.1361114E+00 |GRAD(Rho)| 0.4749968E-15 GRAD(Rho)x -0.8547579E-16 GRAD(Rho)y 0.3937416E-15 GRAD(Rho)z -0.2515620E-15 Laplacian 0.5669245E+00 (-1/4)Del**2(Rho)) -0.1417311E+00 Diamond 0.1020453E+01 Metallicity 0.4377694E+01 Ellipticity 0.6910812E-02 Gb(Abramov) 0.1978967E+00 Vb(Abramov) -0.2540622E+00 Hb(Abramov) -0.5616555E-01 Ex_ueg -0.5171038E-01 Ec_ueg -0.7560462E-02 Delta_ex -0.5943358E-01 Delta_ec 0.1469305E-01 Delta_et -0.1927398E+00 Pxc 0.6839579E+01 Qxc -0.4045013E+01 3,-1 110 3 -1 -0.525460 0.572876 0.002151 Rho 0.1765130E+00 |GRAD(Rho)| 0.3164634E-15 GRAD(Rho)x 0.8326673E-16 GRAD(Rho)y -0.3053113E-15 GRAD(Rho)z -0.8453389E-18 Laplacian 0.4540659E+00 (-1/4)Del**2(Rho)) -0.1135165E+00 Diamond 0.1140800E+01 Metallicity 0.8429249E+01 Ellipticity 0.2222202E-02 Gb(Abramov) 0.2351541E+00 Vb(Abramov) -0.3567917E+00 Hb(Abramov) -0.1216376E+00 Ex_ueg -0.7312862E-01 Ec_ueg -0.1016182E-01 Delta_ex -0.5095092E-01 Delta_ec 0.1136757E-01 Delta_et -0.1553351E+00 Pxc 0.7196412E+01 Qxc -0.4482130E+01 3,-1 111 3 -1 -0.544247 0.697391 3.199875 Rho 0.1425115E+00 |GRAD(Rho)| 0.4618484E-15 GRAD(Rho)x -0.3183624E-15 GRAD(Rho)y 0.2869883E-15 GRAD(Rho)z -0.1720087E-15 Laplacian 0.5945157E+00 (-1/4)Del**2(Rho)) -0.1486289E+00 Diamond 0.1128263E+01 Metallicity 0.4506781E+01 Ellipticity 0.8367762E-02 Gb(Abramov) 0.2107256E+00 Vb(Abramov) -0.2728223E+00 Hb(Abramov) -0.6209669E-01 Ex_ueg -0.5497750E-01 Ec_ueg -0.7965880E-02 Delta_ex -0.6299985E-01 Delta_ec 0.1518748E-01 Delta_et -0.2005061E+00 Pxc 0.6901623E+01 Qxc -0.4148145E+01 3,-1 112 3 -1 -0.831073 3.546176 -0.702765 Rho 0.1400923E+00 |GRAD(Rho)| 0.1842294E-13 GRAD(Rho)x 0.7081195E-14 GRAD(Rho)y 0.1408481E-13 GRAD(Rho)z 0.9533078E-14 Laplacian 0.5463662E+00 (-1/4)Del**2(Rho)) -0.1365915E+00 Diamond 0.1009198E+01 Metallicity 0.4765991E+01 Ellipticity 0.5131100E-01 Gb(Abramov) 0.1995600E+00 Vb(Abramov) -0.2625285E+00 Hb(Abramov) -0.6296850E-01 Ex_ueg -0.5373668E-01 Ec_ueg -0.7812328E-02 Delta_ex -0.5758420E-01 Delta_ec 0.1388789E-01 Delta_et -0.1826166E+00 Pxc 0.6878446E+01 Qxc -0.4146360E+01 3,-1 113 3 +1 -1.997194 2.900633 0.000059 Rho 0.1244806E-01 |GRAD(Rho)| 0.5857791E-14 GRAD(Rho)x 0.2815753E-14 GRAD(Rho)y -0.5136434E-14 GRAD(Rho)z 0.4786799E-16 Laplacian 0.5863601E-01 (-1/4)Del**2(Rho)) -0.1465900E-01 Diamond 0.1960409E-02 Metallicity 0.7857507E+00 Ellipticity -0.1122909E+01 Gb(Abramov) 0.1169239E-01 Vb(Abramov) -0.8725774E-02 Hb(Abramov) 0.2966614E-02 Ex_ueg -0.2130691E-02 Ec_ueg -0.4802922E-03 Delta_ex -0.2769828E-02 Delta_ec 0.5103593E-03 Delta_et -0.4050089E-02 Pxc 0.4436239E+01 Qxc -0.5427211E+01 3,+1 114 3 -1 -1.977235 2.709318 1.502130 Rho 0.1222724E+00 |GRAD(Rho)| 0.2450259E-13 GRAD(Rho)x 0.1561961E-13 GRAD(Rho)y 0.1364573E-13 GRAD(Rho)z -0.1304603E-13 Laplacian 0.4849339E+00 (-1/4)Del**2(Rho)) -0.1212335E+00 Diamond 0.7670482E+00 Metallicity 0.4280338E+01 Ellipticity 0.2496579E-01 Gb(Abramov) 0.1673090E+00 Vb(Abramov) -0.2133846E+00 Hb(Abramov) -0.4607554E-01 Ex_ueg -0.4482184E-01 Ec_ueg -0.6692969E-02 Delta_ex -0.4953746E-01 Delta_ec 0.1288678E-01 Delta_et -0.1661066E+00 Pxc 0.6696854E+01 Qxc -0.3844053E+01 3,-1 115 3 +3 2.315089 0.077116 0.005965 Rho 0.4050879E-02 |GRAD(Rho)| 0.2958360E-14 GRAD(Rho)x -0.2119694E-14 GRAD(Rho)y 0.1956080E-20 GRAD(Rho)z -0.2063683E-14 Laplacian 0.1657527E-01 (-1/4)Del**2(Rho)) -0.4143817E-02 Diamond 0.1189779E-03 Metallicity 0.4279582E+00 Ellipticity -0.2920747E+00 Gb(Abramov) 0.3058108E-02 Vb(Abramov) -0.1972399E-02 Hb(Abramov) 0.1085709E-02 Ex_ueg -0.4769257E-03 Ec_ueg -0.1062997E-03 Delta_ex -0.5799357E-03 Delta_ec 0.1436345E-03 Delta_et -0.8878485E-03 Pxc 0.4486613E+01 Qxc -0.4037579E+01 3,+3 116 3 -1 -0.537550 2.440414 0.000446 Rho 0.3779577E-01 |GRAD(Rho)| 0.9014253E-17 GRAD(Rho)x 0.2699282E-17 GRAD(Rho)y -0.8571550E-17 GRAD(Rho)z 0.7065133E-18 Laplacian 0.1572139E+00 (-1/4)Del**2(Rho)) -0.3930349E-01 Diamond 0.5547702E-01 Metallicity 0.1865781E+01 Ellipticity 0.1457889E-01 Gb(Abramov) 0.3842428E-01 Vb(Abramov) -0.3754506E-01 Hb(Abramov) 0.8792111E-03 Ex_ueg -0.9367908E-02 Ec_ueg -0.1752304E-02 Delta_ex -0.1213158E-01 Delta_ec 0.4805177E-02 Delta_et -0.4703710E-01 Pxc 0.5346053E+01 Qxc -0.2524690E+01 3,-1 117 3 +3 0.058075 1.571497 1.588652 Rho 0.4527165E-02 |GRAD(Rho)| 0.4726534E-15 GRAD(Rho)x 0.4685095E-15 GRAD(Rho)y 0.2817358E-16 GRAD(Rho)z 0.5573414E-16 Laplacian 0.1851038E-01 (-1/4)Del**2(Rho)) -0.4627596E-02 Diamond 0.1443550E-03 Metallicity 0.4612202E+00 Ellipticity -0.3027721E+00 Gb(Abramov) 0.3440787E-02 Vb(Abramov) -0.2253979E-02 Hb(Abramov) 0.1186808E-02 Ex_ueg -0.5531211E-03 Ec_ueg -0.1266219E-03 Delta_ex -0.6555972E-03 Delta_ec 0.1412007E-03 Delta_et -0.9245837E-03 Pxc 0.4368290E+01 Qxc -0.4643017E+01 3,+3 118 3 -1 0.022806 2.094203 2.080430 Rho 0.5831872E-02 |GRAD(Rho)| 0.5186664E-17 GRAD(Rho)x 0.3101236E-17 GRAD(Rho)y 0.2903827E-17 GRAD(Rho)z -0.2975165E-17 Laplacian 0.2345175E-01 (-1/4)Del**2(Rho)) -0.5862938E-02 Diamond 0.7855171E-03 Metallicity 0.5552022E+00 Ellipticity 0.2309665E+01 Gb(Abramov) 0.4451145E-02 Vb(Abramov) -0.3039351E-02 Hb(Abramov) 0.1411793E-02 Ex_ueg -0.7752868E-03 Ec_ueg -0.1828855E-03 Delta_ex -0.1286901E-02 Delta_ec 0.8908603E-03 Delta_et -0.5006232E-02 Pxc 0.4239193E+01 Qxc -0.1444560E+01 3,-1 119 3 +1 0.186260 1.986448 2.199794 Rho 0.5787218E-02 |GRAD(Rho)| 0.4416567E-17 GRAD(Rho)x 0.6004560E-18 GRAD(Rho)y -0.1068353E-17 GRAD(Rho)z 0.4243129E-17 Laplacian 0.2402097E-01 (-1/4)Del**2(Rho)) -0.6005243E-02 Diamond 0.6513355E-03 Metallicity 0.5351460E+00 Ellipticity -0.2671242E+01 Gb(Abramov) 0.4539109E-02 Vb(Abramov) -0.3072975E-02 Hb(Abramov) 0.1466134E-02 Ex_ueg -0.7673818E-03 Ec_ueg -0.1809457E-03 Delta_ex -0.1205495E-02 Delta_ec 0.7147000E-03 Delta_et -0.4071923E-02 Pxc 0.4240950E+01 Qxc -0.1686714E+01 3,+1 120 3 -1 0.409345 -0.122205 0.659850 Rho 0.1784054E+00 |GRAD(Rho)| 0.1547999E-15 GRAD(Rho)x -0.4857226E-16 GRAD(Rho)y 0.1924459E-16 GRAD(Rho)z 0.1457168E-15 Laplacian 0.4641329E+00 (-1/4)Del**2(Rho)) -0.1160332E+00 Diamond 0.1185585E+01 Metallicity 0.8394295E+01 Ellipticity 0.6072133E-02 Gb(Abramov) 0.2396917E+00 Vb(Abramov) -0.3633501E+00 Hb(Abramov) -0.1236585E+00 Ex_ueg -0.7417584E-01 Ec_ueg -0.1028604E-01 Delta_ex -0.5225479E-01 Delta_ec 0.1165059E-01 Delta_et -0.1595806E+00 Pxc 0.7211311E+01 Qxc -0.4485162E+01 3,-1 121 3 -1 -0.058774 -0.011021 4.473128 Rho 0.2376173E+00 |GRAD(Rho)| 0.3957380E-15 GRAD(Rho)x -0.5908902E-16 GRAD(Rho)y -0.3212796E-17 GRAD(Rho)z -0.3912886E-15 Laplacian 0.8851628E+00 (-1/4)Del**2(Rho)) -0.2212907E+00 Diamond 0.3079020E+01 Metallicity 0.7096652E+01 Ellipticity 0.1467359E-02 Gb(Abramov) 0.4092643E+00 Vb(Abramov) -0.5972379E+00 Hb(Abramov) -0.1879736E+00 Ex_ueg -0.1086982E+00 Ec_ueg -0.1427456E-01 Delta_ex -0.1065910E+00 Delta_ec 0.1947523E-01 Delta_et -0.2690753E+00 Pxc 0.7614822E+01 Qxc -0.5473158E+01 3,-1 122 3 -1 -0.059285 -0.013054 -4.475856 Rho 0.2370690E+00 |GRAD(Rho)| 0.8845033E-14 GRAD(Rho)x 0.6667843E-15 GRAD(Rho)y 0.8744125E-14 GRAD(Rho)z 0.1153374E-14 Laplacian 0.8831566E+00 (-1/4)Del**2(Rho)) -0.2207892E+00 Diamond 0.3064433E+01 Metallicity 0.7085439E+01 Ellipticity 0.2009662E-02 Gb(Abramov) 0.4079241E+00 Vb(Abramov) -0.5950591E+00 Hb(Abramov) -0.1871350E+00 Ex_ueg -0.1083639E+00 Ec_ueg -0.1423674E-01 Delta_ex -0.1062903E+00 Delta_ec 0.1945328E-01 Delta_et -0.2687900E+00 Pxc 0.7611571E+01 Qxc -0.5463872E+01 3,-1 123 3 -1 0.082288 4.544245 0.001062 Rho 0.2249254E+00 |GRAD(Rho)| 0.1749795E-13 GRAD(Rho)x 0.1238927E-13 GRAD(Rho)y 0.1042124E-13 GRAD(Rho)z 0.6639405E-14 Laplacian 0.8078537E+00 (-1/4)Del**2(Rho)) -0.2019634E+00 Diamond 0.2655747E+01 Metallicity 0.7095959E+01 Ellipticity 0.5959932E-03 Gb(Abramov) 0.3734963E+00 Vb(Abramov) -0.5450292E+00 Hb(Abramov) -0.1715329E+00 Ex_ueg -0.1010267E+00 Ec_ueg -0.1340327E-01 Delta_ex -0.9604767E-01 Delta_ec 0.1832368E-01 Delta_et -0.2536679E+00 Pxc 0.7537466E+01 Qxc -0.5241724E+01 3,-1 124 3 +1 1.699131 0.733769 0.017802 Rho 0.6506687E-02 |GRAD(Rho)| 0.2727858E-13 GRAD(Rho)x 0.1054990E-13 GRAD(Rho)y 0.1199588E-13 GRAD(Rho)z 0.2211153E-13 Laplacian 0.2521761E-01 (-1/4)Del**2(Rho)) -0.6304402E-02 Diamond 0.4838649E-03 Metallicity 0.6196919E+00 Ellipticity -0.1393784E+01 Gb(Abramov) 0.4854066E-02 Vb(Abramov) -0.3403730E-02 Hb(Abramov) 0.1450336E-02 Ex_ueg -0.8971498E-03 Ec_ueg -0.2123170E-03 Delta_ex -0.1088913E-02 Delta_ec 0.3806237E-03 Delta_et -0.2397524E-02 Pxc 0.4225520E+01 Qxc -0.2860866E+01 3,+1 125 3 +1 0.510633 1.510383 -0.836153 Rho 0.7440277E-02 |GRAD(Rho)| 0.1629952E-14 GRAD(Rho)x -0.1334150E-14 GRAD(Rho)y -0.5773937E-15 GRAD(Rho)z 0.7371605E-15 Laplacian 0.2928099E-01 (-1/4)Del**2(Rho)) -0.7320248E-02 Diamond 0.6577778E-03 Metallicity 0.6673330E+00 Ellipticity -0.1403782E+01 Gb(Abramov) 0.5694339E-02 Vb(Abramov) -0.4068430E-02 Hb(Abramov) 0.1625909E-02 Ex_ueg -0.1072763E-02 Ec_ueg -0.2533936E-03 Delta_ex -0.1297711E-02 Delta_ec 0.4261171E-03 Delta_et -0.2793610E-02 Pxc 0.4233585E+01 Qxc -0.3045433E+01 3,+1 126 3 -1 1.718795 -0.954385 1.577119 Rho 0.4592701E-01 |GRAD(Rho)| 0.7476203E-09 GRAD(Rho)x -0.5011672E-09 GRAD(Rho)y 0.5298700E-09 GRAD(Rho)z -0.1643333E-09 Laplacian 0.1800751E+00 (-1/4)Del**2(Rho)) -0.4501877E-01 Diamond 0.8132998E-01 Metallicity 0.2253927E+01 Ellipticity 0.2741537E-01 Gb(Abramov) 0.4692402E-01 Vb(Abramov) -0.4882927E-01 Hb(Abramov) -0.1905246E-02 Ex_ueg -0.1214719E-01 Ec_ueg -0.2191003E-02 Delta_ex -0.1450981E-01 Delta_ec 0.5369176E-02 Delta_et -0.5536657E-01 Pxc 0.5544126E+01 Qxc -0.2702427E+01 3,-1 127 3 +1 1.371076 0.753458 -2.245422 Rho 0.2595673E-01 |GRAD(Rho)| 0.3222900E-11 GRAD(Rho)x -0.2357990E-11 GRAD(Rho)y -0.1765869E-11 GRAD(Rho)z -0.1307162E-11 Laplacian 0.9949313E-01 (-1/4)Del**2(Rho)) -0.2487328E-01 Diamond 0.1296865E-01 Metallicity 0.1576051E+01 Ellipticity -0.3200001E+01 Gb(Abramov) 0.2311578E-01 Vb(Abramov) -0.2135828E-01 Hb(Abramov) 0.1757502E-02 Ex_ueg -0.5676123E-02 Ec_ueg -0.1137004E-02 Delta_ex -0.6174517E-02 Delta_ec 0.1552855E-02 Delta_et -0.1386121E-01 Pxc 0.4992175E+01 Qxc -0.3976235E+01 3,+1 128 3 +1 0.161631 2.005424 -2.186396 Rho 0.5813336E-02 |GRAD(Rho)| 0.1724134E-15 GRAD(Rho)x 0.1225607E-15 GRAD(Rho)y -0.7127867E-16 GRAD(Rho)z -0.9810500E-16 Laplacian 0.2398003E-01 (-1/4)Del**2(Rho)) -0.5995007E-02 Diamond 0.6735440E-03 Metallicity 0.5400980E+00 Ellipticity -0.3276553E+01 Gb(Abramov) 0.4536320E-02 Vb(Abramov) -0.3077633E-02 Hb(Abramov) 0.1458687E-02 Ex_ueg -0.7720029E-03 Ec_ueg -0.1820801E-03 Delta_ex -0.1219238E-02 Delta_ec 0.7397419E-03 Delta_et -0.4209231E-02 Pxc 0.4239907E+01 Qxc -0.1648194E+01 3,+1 129 3 +1 3.013550 0.081469 -0.179338 Rho 0.5082261E-02 |GRAD(Rho)| 0.1153688E-16 GRAD(Rho)x 0.5165794E-18 GRAD(Rho)y -0.5296469E-17 GRAD(Rho)z -0.1023622E-16 Laplacian 0.2050108E-01 (-1/4)Del**2(Rho)) -0.5125270E-02 Diamond 0.5094854E-03 Metallicity 0.5049689E+00 Ellipticity -0.4432967E+01 Gb(Abramov) 0.3848197E-02 Vb(Abramov) -0.2571124E-02 Hb(Abramov) 0.1277073E-02 Ex_ueg -0.6453485E-03 Ec_ueg -0.1504545E-03 Delta_ex -0.1041405E-02 Delta_ec 0.6792965E-03 Delta_et -0.3693657E-02 Pxc 0.4289326E+01 Qxc -0.1533064E+01 3,+1 130 3 -1 0.892534 -0.685470 3.502828 Rho 0.1451444E+00 |GRAD(Rho)| 0.4658510E-15 GRAD(Rho)x 0.4497406E-15 GRAD(Rho)y -0.1180561E-15 GRAD(Rho)z 0.2851875E-16 Laplacian 0.5740598E+00 (-1/4)Del**2(Rho)) -0.1435149E+00 Diamond 0.1114727E+01 Metallicity 0.4811973E+01 Ellipticity 0.6395934E-01 Gb(Abramov) 0.2107750E+00 Vb(Abramov) -0.2780350E+00 Hb(Abramov) -0.6726003E-01 Ex_ueg -0.5633593E-01 Ec_ueg -0.8133414E-02 Delta_ex -0.6111638E-01 Delta_ec 0.1461875E-01 Delta_et -0.1935538E+00 Pxc 0.6926480E+01 Qxc -0.4180685E+01 3,-1 131 3 -1 0.559605 3.254991 -0.678904 Rho 0.1351670E+00 |GRAD(Rho)| 0.1823062E-15 GRAD(Rho)x 0.1817529E-15 GRAD(Rho)y 0.1408785E-16 GRAD(Rho)z 0.1721171E-17 Laplacian 0.5614165E+00 (-1/4)Del**2(Rho)) -0.1403541E+00 Diamond 0.9914468E+00 Metallicity 0.4369642E+01 Ellipticity 0.1770237E-01 Gb(Abramov) 0.1957856E+00 Vb(Abramov) -0.2512171E+00 Hb(Abramov) -0.5543151E-01 Ex_ueg -0.5123256E-01 Ec_ueg -0.7500862E-02 Delta_ex -0.5863464E-01 Delta_ec 0.1435671E-01 Delta_et -0.1876920E+00 Pxc 0.6830223E+01 Qxc -0.4084130E+01 3,-1 132 3 -1 1.734712 0.809054 -1.595585 Rho 0.3613388E-01 |GRAD(Rho)| 0.1992247E-15 GRAD(Rho)x -0.1158686E-15 GRAD(Rho)y -0.8126011E-16 GRAD(Rho)z -0.1402204E-15 Laplacian 0.1404803E+00 (-1/4)Del**2(Rho)) -0.3512007E-01 Diamond 0.4423872E-01 Metallicity 0.1937264E+01 Ellipticity 0.3645535E-01 Gb(Abramov) 0.3475286E-01 Vb(Abramov) -0.3438564E-01 Hb(Abramov) 0.3672181E-03 Ex_ueg -0.8822760E-02 Ec_ueg -0.1664128E-02 Delta_ex -0.1056247E-01 Delta_ec 0.4010761E-02 Delta_et -0.3876660E-01 Pxc 0.5301732E+01 Qxc -0.2633532E+01 3,-1 133 3 -1 0.557936 3.256613 0.682480 Rho 0.1351521E+00 |GRAD(Rho)| 0.1569287E-15 GRAD(Rho)x 0.1558541E-17 GRAD(Rho)y 0.7835394E-16 GRAD(Rho)z 0.1359590E-15 Laplacian 0.5581370E+00 (-1/4)Del**2(Rho)) -0.1395342E+00 Diamond 0.9856146E+00 Metallicity 0.4394507E+01 Ellipticity 0.1671810E-01 Gb(Abramov) 0.1952202E+00 Vb(Abramov) -0.2509062E+00 Hb(Abramov) -0.5568596E-01 Ex_ueg -0.5122500E-01 Ec_ueg -0.7499919E-02 Delta_ex -0.5829160E-01 Delta_ec 0.1427507E-01 Delta_et -0.1866253E+00 Pxc 0.6830074E+01 Qxc -0.4083455E+01 3,-1 134 3 +3 -0.239616 -2.507710 1.541975 Rho 0.2650585E-02 |GRAD(Rho)| 0.1010058E-17 GRAD(Rho)x 0.4962037E-19 GRAD(Rho)y -0.8830744E-18 GRAD(Rho)z 0.4877860E-18 Laplacian 0.1047915E-01 (-1/4)Del**2(Rho)) -0.2619787E-02 Diamond 0.7051272E-04 Metallicity 0.3338286E+00 Ellipticity -0.2355048E+00 Gb(Abramov) 0.1892285E-02 Vb(Abramov) -0.1164782E-02 Hb(Abramov) 0.7275024E-03 Ex_ueg -0.2709198E-03 Ec_ueg -0.4725274E-04 Delta_ex -0.3906295E-03 Delta_ec 0.1994935E-03 Delta_et -0.9483721E-03 Pxc 0.5733421E+01 Qxc -0.1958107E+01 3,+3 135 3 -1 0.882238 -0.695950 -3.510449 Rho 0.1494452E+00 |GRAD(Rho)| 0.3858034E-15 GRAD(Rho)x -0.3721524E-15 GRAD(Rho)y 0.7418653E-16 GRAD(Rho)z -0.6959307E-16 Laplacian 0.5890651E+00 (-1/4)Del**2(Rho)) -0.1472663E+00 Diamond 0.1185590E+01 Metallicity 0.4923264E+01 Ellipticity 0.6633040E-01 Gb(Abramov) 0.2190160E+00 Vb(Abramov) -0.2907656E+00 Hb(Abramov) -0.7174969E-01 Ex_ueg -0.5857257E-01 Ec_ueg -0.8408007E-02 Delta_ex -0.6317393E-01 Delta_ec 0.1490878E-01 Delta_et -0.1982459E+00 Pxc 0.6966285E+01 Qxc -0.4237365E+01 3,-1 136 3 +1 1.745666 -2.785684 0.009199 Rho 0.7220677E-02 |GRAD(Rho)| 0.3933262E-17 GRAD(Rho)x -0.1624535E-17 GRAD(Rho)y -0.3580297E-17 GRAD(Rho)z -0.1136556E-18 Laplacian 0.3272242E-01 (-1/4)Del**2(Rho)) -0.8180605E-02 Diamond 0.1064316E-02 Metallicity 0.5680644E+00 Ellipticity -0.1834939E+01 Gb(Abramov) 0.6228255E-02 Vb(Abramov) -0.4275905E-02 Hb(Abramov) 0.1952350E-02 Ex_ueg -0.1030755E-02 Ec_ueg -0.2436947E-03 Delta_ex -0.1643472E-02 Delta_ec 0.8403689E-03 Delta_et -0.5166618E-02 Pxc 0.4229700E+01 Qxc -0.1955656E+01 3,+1 137 3 -1 0.516702 -0.051976 -2.404179 Rho 0.5409023E-01 |GRAD(Rho)| 0.1509473E-15 GRAD(Rho)x -0.3244179E-16 GRAD(Rho)y 0.7113039E-17 GRAD(Rho)z -0.1472482E-15 Laplacian 0.2176346E+00 (-1/4)Del**2(Rho)) -0.5440866E-01 Diamond 0.1221592E+00 Metallicity 0.2449532E+01 Ellipticity 0.1302106E-01 Gb(Abramov) 0.5848507E-01 Vb(Abramov) -0.6256148E-01 Hb(Abramov) -0.4076408E-02 Ex_ueg -0.1510811E-01 Ec_ueg -0.2642183E-02 Delta_ex -0.1824952E-01 Delta_ec 0.6438364E-02 Delta_et -0.6927544E-01 Pxc 0.5718040E+01 Qxc -0.2834497E+01 3,-1 138 3 -1 0.405286 -0.109378 -0.657149 Rho 0.1790655E+00 |GRAD(Rho)| 0.1071402E-13 GRAD(Rho)x -0.6258882E-14 GRAD(Rho)y -0.2892651E-15 GRAD(Rho)z 0.8690965E-14 Laplacian 0.4666342E+00 (-1/4)Del**2(Rho)) -0.1166586E+00 Diamond 0.1198473E+01 Metallicity 0.8400845E+01 Ellipticity 0.1296520E-02 Gb(Abramov) 0.2411108E+00 Vb(Abramov) -0.3655630E+00 Hb(Abramov) -0.1244522E+00 Ex_ueg -0.7454197E-01 Ec_ueg -0.1032942E-01 Delta_ex -0.5259434E-01 Delta_ec 0.1171907E-01 Delta_et -0.1606359E+00 Pxc 0.7216474E+01 Qxc -0.4487929E+01 3,-1 139 3 -1 0.523504 -0.059231 2.404164 Rho 0.5418769E-01 |GRAD(Rho)| 0.3495031E-16 GRAD(Rho)x 0.2648249E-16 GRAD(Rho)y -0.2745975E-17 GRAD(Rho)z -0.2264204E-16 Laplacian 0.2175574E+00 (-1/4)Del**2(Rho)) -0.5438934E-01 Diamond 0.1222608E+00 Metallicity 0.2457765E+01 Ellipticity 0.1478548E-01 Gb(Abramov) 0.5853893E-01 Vb(Abramov) -0.6268853E-01 Hb(Abramov) -0.4149592E-02 Ex_ueg -0.1514442E-01 Ec_ueg -0.2647629E-02 Delta_ex -0.1824540E-01 Delta_ec 0.6425325E-02 Delta_et -0.6916334E-01 Pxc 0.5719993E+01 Qxc -0.2839607E+01 3,-1 140 3 +3 1.959046 -0.000555 -2.695337 Rho 0.1178547E-01 |GRAD(Rho)| 0.1708823E-16 GRAD(Rho)x -0.1468210E-16 GRAD(Rho)y -0.8689130E-17 GRAD(Rho)z -0.9707740E-18 Laplacian 0.5453291E-01 (-1/4)Del**2(Rho)) -0.1363323E-01 Diamond 0.1359810E-02 Metallicity 0.7712571E+00 Ellipticity -0.8243666E+00 Gb(Abramov) 0.1084127E-01 Vb(Abramov) -0.8049318E-02 Hb(Abramov) 0.2791955E-02 Ex_ueg -0.1980831E-02 Ec_ueg -0.4496745E-03 Delta_ex -0.2439313E-02 Delta_ec 0.2998618E-03 Delta_et -0.2555055E-02 Pxc 0.4405033E+01 Qxc -0.8134791E+01 3,+3 141 3 +1 2.190586 -0.286923 -1.731780 Rho 0.2316310E-01 |GRAD(Rho)| 0.5180676E-16 GRAD(Rho)x -0.4696764E-16 GRAD(Rho)y -0.1070531E-17 GRAD(Rho)z 0.2183657E-16 Laplacian 0.8841009E-01 (-1/4)Del**2(Rho)) -0.2210252E-01 Diamond 0.9454808E-02 Metallicity 0.1467031E+01 Ellipticity -0.2471203E+01 Gb(Abramov) 0.2013920E-01 Vb(Abramov) -0.1817587E-01 Hb(Abramov) 0.1963328E-02 Ex_ueg -0.4876565E-02 Ec_ueg -0.9966814E-03 Delta_ex -0.5273078E-02 Delta_ec 0.1295141E-02 Delta_et -0.1127796E-01 Pxc 0.4892803E+01 Qxc -0.4071432E+01 3,+1 142 3 -1 1.493139 -3.053976 0.012399 Rho 0.7594582E-02 |GRAD(Rho)| 0.1964028E-16 GRAD(Rho)x -0.1296269E-17 GRAD(Rho)y -0.2753108E-17 GRAD(Rho)z 0.1940311E-16 Laplacian 0.3117682E-01 (-1/4)Del**2(Rho)) -0.7794206E-02 Diamond 0.1678511E-02 Metallicity 0.6485664E+00 Ellipticity 0.4859984E+00 Gb(Abramov) 0.6038647E-02 Vb(Abramov) -0.4283088E-02 Hb(Abramov) 0.1755559E-02 Ex_ueg -0.1102529E-02 Ec_ueg -0.2602220E-03 Delta_ex -0.1898455E-02 Delta_ec 0.1363653E-02 Delta_et -0.8248198E-02 Pxc 0.4236881E+01 Qxc -0.1392184E+01 3,-1 143 3 -1 3.006205 -0.791237 2.000862 Rho 0.7930249E-01 |GRAD(Rho)| 0.1341279E-12 GRAD(Rho)x 0.1134363E-12 GRAD(Rho)y -0.5022348E-13 GRAD(Rho)z 0.5099122E-13 Laplacian 0.3180016E+00 (-1/4)Del**2(Rho)) -0.7950039E-01 Diamond 0.2960829E+00 Metallicity 0.3171967E+01 Ellipticity 0.3868711E-02 Gb(Abramov) 0.9502903E-01 Vb(Abramov) -0.1105577E+00 Hb(Abramov) -0.1552864E-01 Ex_ueg -0.2516330E-01 Ec_ueg -0.4089394E-02 Delta_ex -0.2932245E-01 Delta_ec 0.9203419E-02 Delta_et -0.1087510E+00 Pxc 0.6153307E+01 Qxc -0.3186039E+01 3,-1 144 3 +1 1.433851 0.778635 2.208736 Rho 0.2356883E-01 |GRAD(Rho)| 0.8364219E-16 GRAD(Rho)x 0.6432643E-16 GRAD(Rho)y 0.3905682E-16 GRAD(Rho)z -0.3650604E-16 Laplacian 0.9035594E-01 (-1/4)Del**2(Rho)) -0.2258899E-01 Diamond 0.9648464E-02 Metallicity 0.1477587E+01 Ellipticity -0.2368004E+01 Gb(Abramov) 0.2062219E-01 Vb(Abramov) -0.1865539E-01 Hb(Abramov) 0.1966797E-02 Ex_ueg -0.4990787E-02 Ec_ueg -0.1016930E-02 Delta_ex -0.5385387E-02 Delta_ec 0.1271456E-02 Delta_et -0.1113325E-01 Pxc 0.4907699E+01 Qxc -0.4235605E+01 3,+1 145 3 -1 0.844040 0.729694 3.489325 Rho 0.1391481E+00 |GRAD(Rho)| 0.5833709E-13 GRAD(Rho)x -0.4188281E-13 GRAD(Rho)y -0.3786558E-13 GRAD(Rho)z 0.1467117E-13 Laplacian 0.5450821E+00 (-1/4)Del**2(Rho)) -0.1362705E+00 Diamond 0.1011044E+01 Metallicity 0.4723677E+01 Ellipticity 0.4218058E-01 Gb(Abramov) 0.1981300E+00 Vb(Abramov) -0.2599895E+00 Hb(Abramov) -0.6185949E-01 Ex_ueg -0.5325433E-01 Ec_ueg -0.7752500E-02 Delta_ex -0.5749020E-01 Delta_ec 0.1412129E-01 Delta_et -0.1860098E+00 Pxc 0.6869311E+01 Qxc -0.4071172E+01 3,-1 146 3 -1 0.841717 0.721327 -3.477807 Rho 0.1357216E+00 |GRAD(Rho)| 0.3245669E-14 GRAD(Rho)x -0.2319651E-14 GRAD(Rho)y -0.2233863E-14 GRAD(Rho)z -0.4042820E-15 Laplacian 0.5316154E+00 (-1/4)Del**2(Rho)) -0.1329038E+00 Diamond 0.9560215E+00 Metallicity 0.4646194E+01 Ellipticity 0.3852238E-01 Gb(Abramov) 0.1915187E+00 Vb(Abramov) -0.2501336E+00 Hb(Abramov) -0.5861488E-01 Ex_ueg -0.5151303E-01 Ec_ueg -0.7535855E-02 Delta_ex -0.5572067E-01 Delta_ec 0.1383659E-01 Delta_et -0.1815223E+00 Pxc 0.6835724E+01 Qxc -0.4027051E+01 3,-1 147 3 +1 1.401848 -0.828615 2.282199 Rho 0.2984395E-01 |GRAD(Rho)| 0.2989180E-14 GRAD(Rho)x 0.2158905E-14 GRAD(Rho)y -0.2055778E-14 GRAD(Rho)z -0.2193301E-15 Laplacian 0.1183812E+00 (-1/4)Del**2(Rho)) -0.2959531E-01 Diamond 0.1908661E-01 Metallicity 0.1671440E+01 Ellipticity -0.3708994E+01 Gb(Abramov) 0.2797467E-01 Vb(Abramov) -0.2635403E-01 Hb(Abramov) 0.1620639E-02 Ex_ueg -0.6836915E-02 Ec_ueg -0.1335561E-02 Delta_ex -0.7663537E-02 Delta_ec 0.1905563E-02 Delta_et -0.1756360E-01 Pxc 0.5119134E+01 Qxc -0.4021667E+01 3,+1 148 3 +1 1.442609 -0.860529 -2.243547 Rho 0.2747185E-01 |GRAD(Rho)| 0.1735978E-16 GRAD(Rho)x 0.2425524E-17 GRAD(Rho)y 0.6664353E-17 GRAD(Rho)z -0.1584503E-16 Laplacian 0.1082418E+00 (-1/4)Del**2(Rho)) -0.2706044E-01 Diamond 0.1431302E-01 Metallicity 0.1592324E+01 Ellipticity -0.2498046E+01 Gb(Abramov) 0.2522179E-01 Vb(Abramov) -0.2338314E-01 Hb(Abramov) 0.1838649E-02 Ex_ueg -0.6122125E-02 Ec_ueg -0.1213955E-02 Delta_ex -0.6731230E-02 Delta_ec 0.1527839E-02 Delta_et -0.1384867E-01 Pxc 0.5043122E+01 Qxc -0.4405718E+01 3,+1 149 3 -1 1.716210 -0.948986 -1.580248 Rho 0.4086381E-01 |GRAD(Rho)| 0.1831967E-13 GRAD(Rho)x 0.1185347E-13 GRAD(Rho)y -0.1342389E-13 GRAD(Rho)z -0.3860656E-14 Laplacian 0.1651819E+00 (-1/4)Del**2(Rho)) -0.4129547E-01 Diamond 0.6569400E-01 Metallicity 0.2022470E+01 Ellipticity 0.2587863E-01 Gb(Abramov) 0.4145012E-01 Vb(Abramov) -0.4160478E-01 Hb(Abramov) -0.1546513E-03 Ex_ueg -0.1039529E-01 Ec_ueg -0.1916460E-02 Delta_ex -0.1304336E-01 Delta_ec 0.5135078E-02 Delta_et -0.5135488E-01 Pxc 0.5424217E+01 Qxc -0.2540051E+01 3,-1 150 3 +1 2.190832 -0.139353 1.733230 Rho 0.2384667E-01 |GRAD(Rho)| 0.1726525E-12 GRAD(Rho)x -0.4573399E-13 GRAD(Rho)y -0.1654443E-12 GRAD(Rho)z -0.1858629E-13 Laplacian 0.9466586E-01 (-1/4)Del**2(Rho)) -0.2366646E-01 Diamond 0.1276718E-01 Metallicity 0.1438134E+01 Ellipticity -0.6060426E+01 Gb(Abramov) 0.2145023E-01 Vb(Abramov) -0.1923401E-01 Hb(Abramov) 0.2216229E-02 Ex_ueg -0.5069387E-02 Ec_ueg -0.1030823E-02 Delta_ex -0.5948782E-02 Delta_ec 0.1847033E-02 Delta_et -0.1605252E-01 Pxc 0.4917806E+01 Qxc -0.3220723E+01 3,+1 151 3 +1 2.055577 0.039948 2.842847 Rho 0.1186932E-01 |GRAD(Rho)| 0.3816311E-11 GRAD(Rho)x -0.1043490E-11 GRAD(Rho)y -0.3252352E-11 GRAD(Rho)z 0.1702225E-11 Laplacian 0.5568926E-01 (-1/4)Del**2(Rho)) -0.1392232E-01 Diamond 0.1792128E-02 Metallicity 0.7642199E+00 Ellipticity -0.1133348E+01 Gb(Abramov) 0.1105483E-01 Vb(Abramov) -0.8187342E-02 Hb(Abramov) 0.2867487E-02 Ex_ueg -0.1999646E-02 Ec_ueg -0.4535399E-03 Delta_ex -0.2610403E-02 Delta_ec 0.5102428E-03 Delta_et -0.3980060E-02 Pxc 0.4408974E+01 Qxc -0.5116002E+01 3,+1 152 3 -1 3.012627 0.084689 -0.037180 Rho 0.5090028E-02 |GRAD(Rho)| 0.2395900E-14 GRAD(Rho)x -0.1327794E-15 GRAD(Rho)y 0.6435041E-15 GRAD(Rho)z 0.2304041E-14 Laplacian 0.2022732E-01 (-1/4)Del**2(Rho)) -0.5056831E-02 Diamond 0.5623900E-03 Metallicity 0.5131074E+00 Ellipticity 0.4480994E+01 Gb(Abramov) 0.3803670E-02 Vb(Abramov) -0.2550509E-02 Hb(Abramov) 0.1253161E-02 Ex_ueg -0.6466638E-03 Ec_ueg -0.1507891E-03 Delta_ex -0.1080999E-02 Delta_ec 0.7652140E-03 Delta_et -0.4126326E-02 Pxc 0.4288531E+01 Qxc -0.1412676E+01 3,-1 153 3 -1 2.027706 -1.528970 2.714524 Rho 0.1253998E+00 |GRAD(Rho)| 0.1602651E-15 GRAD(Rho)x 0.1255642E-15 GRAD(Rho)y 0.3060499E-16 GRAD(Rho)z -0.9477282E-16 Laplacian 0.4803354E+00 (-1/4)Del**2(Rho)) -0.1200839E+00 Diamond 0.7944842E+00 Metallicity 0.4507092E+01 Ellipticity 0.2664106E-01 Gb(Abramov) 0.1702607E+00 Vb(Abramov) -0.2204376E+00 Hb(Abramov) -0.5017687E-01 Ex_ueg -0.4635686E-01 Ec_ueg -0.6887885E-02 Delta_ex -0.4950842E-01 Delta_ec 0.1294371E-01 Delta_et -0.1680050E+00 Pxc 0.6730203E+01 Qxc -0.3824902E+01 3,-1 154 3 -1 1.935482 -2.514297 -1.656914 Rho 0.2243570E+00 |GRAD(Rho)| 0.2611939E-13 GRAD(Rho)x 0.3304648E-15 GRAD(Rho)y 0.1520951E-13 GRAD(Rho)z -0.2123167E-13 Laplacian 0.8541581E+00 (-1/4)Del**2(Rho)) -0.2135395E+00 Diamond 0.2762700E+01 Metallicity 0.6683042E+01 Ellipticity 0.1902001E-01 Gb(Abramov) 0.3802086E+00 Vb(Abramov) -0.5468777E+00 Hb(Abramov) -0.1666691E+00 Ex_ueg -0.1006865E+00 Ec_ueg -0.1336446E-01 Delta_ex -0.1012725E+00 Delta_ec 0.1900606E-01 Delta_et -0.2615430E+00 Pxc 0.7533897E+01 Qxc -0.5328432E+01 3,-1 155 3 -1 1.960501 -2.546682 1.674501 Rho 0.2350655E+00 |GRAD(Rho)| 0.2948040E-13 GRAD(Rho)x 0.2698487E-13 GRAD(Rho)y 0.4064132E-14 GRAD(Rho)z 0.1115319E-13 Laplacian 0.9015945E+00 (-1/4)Del**2(Rho)) -0.2253986E+00 Diamond 0.3080717E+01 Metallicity 0.6843055E+01 Ellipticity 0.1148930E-01 Gb(Abramov) 0.4073349E+00 Vb(Abramov) -0.5892713E+00 Hb(Abramov) -0.1819363E+00 Ex_ueg -0.1071446E+00 Ec_ueg -0.1409867E-01 Delta_ex -0.1081822E+00 Delta_ec 0.1975387E-01 Delta_et -0.2721883E+00 Pxc 0.7599623E+01 Qxc -0.5476508E+01 3,-1 156 3 -1 1.749113 0.807565 1.616098 Rho 0.3120739E-01 |GRAD(Rho)| 0.8865753E-13 GRAD(Rho)x -0.2221186E-13 GRAD(Rho)y 0.8568420E-13 GRAD(Rho)z -0.5000937E-14 Laplacian 0.1272650E+00 (-1/4)Del**2(Rho)) -0.3181626E-01 Diamond 0.3392465E-01 Metallicity 0.1674942E+01 Ellipticity 0.5930565E-01 Gb(Abramov) 0.3009257E-01 Vb(Abramov) -0.2836889E-01 Hb(Abramov) 0.1723686E-02 Ex_ueg -0.7256520E-02 Ec_ueg -0.1406053E-02 Delta_ex -0.9317303E-02 Delta_ec 0.3794299E-02 Delta_et -0.3523349E-01 Pxc 0.5160916E+01 Qxc -0.2455606E+01 3,-1 157 3 -1 1.991114 1.539160 -2.703414 Rho 0.1381285E+00 |GRAD(Rho)| 0.4198269E-15 GRAD(Rho)x 0.3591284E-15 GRAD(Rho)y 0.6119305E-16 GRAD(Rho)z 0.2086547E-15 Laplacian 0.5404438E+00 (-1/4)Del**2(Rho)) -0.1351110E+00 Diamond 0.9948906E+00 Metallicity 0.4706176E+01 Ellipticity 0.3259007E-01 Gb(Abramov) 0.1960500E+00 Vb(Abramov) -0.2569890E+00 Hb(Abramov) -0.6093900E-01 Ex_ueg -0.5273466E-01 Ec_ueg -0.7687954E-02 Delta_ex -0.5691327E-01 Delta_ec 0.1405131E-01 Delta_et -0.1849315E+00 Pxc 0.6859388E+01 Qxc -0.4050388E+01 3,-1 158 3 -1 1.997751 1.553712 2.719113 Rho 0.1280294E+00 |GRAD(Rho)| 0.8952026E-12 GRAD(Rho)x 0.5265933E-12 GRAD(Rho)y 0.1882611E-12 GRAD(Rho)z -0.6990315E-12 Laplacian 0.4975973E+00 (-1/4)Del**2(Rho)) -0.1243993E+00 Diamond 0.8271910E+00 Metallicity 0.4503857E+01 Ellipticity 0.4240727E-01 Gb(Abramov) 0.1763124E+00 Vb(Abramov) -0.2282254E+00 Hb(Abramov) -0.5191302E-01 Ex_ueg -0.4765751E-01 Ec_ueg -0.7052292E-02 Delta_ex -0.5133838E-01 Delta_ec 0.1297821E-01 Delta_et -0.1683929E+00 Pxc 0.6757732E+01 Qxc -0.3955737E+01 3,-1 159 3 +1 3.015421 0.086207 0.235388 Rho 0.5045604E-02 |GRAD(Rho)| 0.1196054E-16 GRAD(Rho)x 0.1859339E-18 GRAD(Rho)y 0.1191645E-16 GRAD(Rho)z -0.1009105E-17 Laplacian 0.2056659E-01 (-1/4)Del**2(Rho)) -0.5141647E-02 Diamond 0.4777148E-03 Metallicity 0.4973241E+00 Ellipticity -0.2720538E+01 Gb(Abramov) 0.3853942E-02 Vb(Abramov) -0.2566237E-02 Hb(Abramov) 0.1287705E-02 Ex_ueg -0.6391497E-03 Ec_ueg -0.1488759E-03 Delta_ex -0.1017198E-02 Delta_ec 0.6348678E-03 Delta_et -0.3462431E-02 Pxc 0.4293173E+01 Qxc -0.1602221E+01 3,+1 160 3 -1 3.002503 -0.810089 -1.996318 Rho 0.7636689E-01 |GRAD(Rho)| 0.7597280E-16 GRAD(Rho)x 0.1383544E-16 GRAD(Rho)y -0.6602283E-16 GRAD(Rho)z 0.3494900E-16 Laplacian 0.3094388E+00 (-1/4)Del**2(Rho)) -0.7735970E-01 Diamond 0.2747523E+00 Metallicity 0.3061119E+01 Ellipticity 0.5018425E-02 Gb(Abramov) 0.9104101E-01 Vb(Abramov) -0.1047223E+00 Hb(Abramov) -0.1368131E-01 Ex_ueg -0.2392904E-01 Ec_ueg -0.3917304E-02 Delta_ex -0.2827922E-01 Delta_ec 0.9004390E-02 Delta_et -0.1054848E+00 Pxc 0.6108547E+01 Qxc -0.3140604E+01 3,-1 161 3 -1 2.813405 -1.694805 -0.867041 Rho 0.1259551E+00 |GRAD(Rho)| 0.1263245E-15 GRAD(Rho)x -0.2449619E-16 GRAD(Rho)y -0.5373069E-16 GRAD(Rho)z -0.1116728E-15 Laplacian 0.5092685E+00 (-1/4)Del**2(Rho)) -0.1273171E+00 Diamond 0.8316521E+00 Metallicity 0.4282450E+01 Ellipticity 0.8986998E-02 Gb(Abramov) 0.1757496E+00 Vb(Abramov) -0.2241821E+00 Hb(Abramov) -0.4843250E-01 Ex_ueg -0.4663076E-01 Ec_ueg -0.6922563E-02 Delta_ex -0.5235525E-01 Delta_ec 0.1336850E-01 Delta_et -0.1730551E+00 Pxc 0.6736054E+01 Qxc -0.3916314E+01 3,-1 162 3 -1 2.819542 -1.688454 0.869067 Rho 0.1427560E+00 |GRAD(Rho)| 0.4147016E-09 GRAD(Rho)x 0.1063741E-09 GRAD(Rho)y 0.5818536E-10 GRAD(Rho)z -0.3965809E-09 Laplacian 0.5794695E+00 (-1/4)Del**2(Rho)) -0.1448674E+00 Diamond 0.1110858E+01 Metallicity 0.4637030E+01 Ellipticity 0.8481066E-02 Gb(Abramov) 0.2085373E+00 Vb(Abramov) -0.2722072E+00 Hb(Abramov) -0.6366994E-01 Ex_ueg -0.5510330E-01 Ec_ueg -0.7981419E-02 Delta_ex -0.6152568E-01 Delta_ec 0.1496564E-01 Delta_et -0.1979911E+00 Pxc 0.6903948E+01 Qxc -0.4111130E+01 3,-1 163 3 -1 3.212363 2.355038 -2.234934 Rho 0.2367715E+00 |GRAD(Rho)| 0.2921170E-15 GRAD(Rho)x 0.2323987E-15 GRAD(Rho)y 0.1589440E-15 GRAD(Rho)z -0.7784572E-16 Laplacian 0.8570968E+00 (-1/4)Del**2(Rho)) -0.2142742E+00 Diamond 0.2990405E+01 Metallicity 0.7285605E+01 Ellipticity 0.6451428E-02 Gb(Abramov) 0.4030356E+00 Vb(Abramov) -0.5917971E+00 Hb(Abramov) -0.1887614E+00 Ex_ueg -0.1081826E+00 Ec_ueg -0.1421622E-01 Delta_ex -0.1032333E+00 Delta_ec 0.1908840E-01 Delta_et -0.2646198E+00 Pxc 0.7609803E+01 Qxc -0.5408169E+01 3,-1 164 3 -1 3.209062 2.374994 2.247698 Rho 0.2263884E+00 |GRAD(Rho)| 0.3033173E-13 GRAD(Rho)x -0.2148347E-14 GRAD(Rho)y 0.3021596E-13 GRAD(Rho)z 0.1547455E-14 Laplacian 0.8036601E+00 (-1/4)Del**2(Rho)) -0.2009150E+00 Diamond 0.2671068E+01 Metallicity 0.7210482E+01 Ellipticity 0.6379484E-02 Gb(Abramov) 0.3753924E+00 Vb(Abramov) -0.5498697E+00 Hb(Abramov) -0.1744774E+00 Ex_ueg -0.1019038E+00 Ec_ueg -0.1350326E-01 Delta_ex -0.9575813E-01 Delta_ec 0.1828117E-01 Delta_et -0.2535186E+00 Pxc 0.7546612E+01 Qxc -0.5238074E+01 3,-1 165 3 -1 3.315822 -2.263420 2.225361 Rho 0.2298243E+00 |GRAD(Rho)| 0.9403731E-13 GRAD(Rho)x 0.7508165E-13 GRAD(Rho)y 0.4979919E-13 GRAD(Rho)z 0.2694069E-13 Laplacian 0.8460493E+00 (-1/4)Del**2(Rho)) -0.2115123E+00 Diamond 0.2841854E+01 Metallicity 0.7023345E+01 Ellipticity 0.1769707E-01 Gb(Abramov) 0.3885956E+00 Vb(Abramov) -0.5656788E+00 Hb(Abramov) -0.1770832E+00 Ex_ueg -0.1039712E+00 Ec_ueg -0.1373853E-01 Delta_ex -0.1010818E+00 Delta_ec 0.1894548E-01 Delta_et -0.2620443E+00 Pxc 0.7567852E+01 Qxc -0.5335406E+01 3,-1 166 3 -1 3.283927 -2.297602 -2.216580 Rho 0.2194982E+00 |GRAD(Rho)| 0.1399480E-10 GRAD(Rho)x 0.1101183E-10 GRAD(Rho)y -0.6710530E-11 GRAD(Rho)z -0.5437168E-11 Laplacian 0.7996354E+00 (-1/4)Del**2(Rho)) -0.1999089E+00 Diamond 0.2549097E+01 Metallicity 0.6882918E+01 Ellipticity 0.1654460E-01 Gb(Abramov) 0.3625986E+00 Vb(Abramov) -0.5252884E+00 Hb(Abramov) -0.1626898E+00 Ex_ueg -0.9778965E-01 Ec_ueg -0.1303340E-01 Delta_ex -0.9445097E-01 Delta_ec 0.1822629E-01 Delta_et -0.2518211E+00 Pxc 0.7503001E+01 Qxc -0.5182128E+01 3,-1 167 3 -1 3.035135 0.863043 -2.013990 Rho 0.1820942E+00 |GRAD(Rho)| 0.8444111E-13 GRAD(Rho)x -0.3314018E-13 GRAD(Rho)y 0.7721146E-13 GRAD(Rho)z 0.8391704E-14 Laplacian 0.7102881E+00 (-1/4)Del**2(Rho)) -0.1775720E+00 Diamond 0.1806492E+01 Metallicity 0.5675520E+01 Ellipticity 0.4760123E-01 Gb(Abramov) 0.2863503E+00 Vb(Abramov) -0.3951285E+00 Hb(Abramov) -0.1087782E+00 Ex_ueg -0.7622779E-01 Ec_ueg -0.1052878E-01 Delta_ex -0.7997097E-01 Delta_ec 0.1700707E-01 Delta_et -0.2313630E+00 Pxc 0.7239947E+01 Qxc -0.4702218E+01 3,-1 168 3 +1 1.766321 2.522476 0.009189 Rho 0.1224354E-01 |GRAD(Rho)| 0.3744329E-16 GRAD(Rho)x 0.3286603E-16 GRAD(Rho)y 0.1474054E-16 GRAD(Rho)z -0.1022452E-16 Laplacian 0.6137437E-01 (-1/4)Del**2(Rho)) -0.1534359E-01 Diamond 0.2505247E-02 Metallicity 0.7302494E+00 Ellipticity -0.1246651E+01 Gb(Abramov) 0.1209650E-01 Vb(Abramov) -0.8849414E-02 Hb(Abramov) 0.3247089E-02 Ex_ueg -0.2084144E-02 Ec_ueg -0.4708234E-03 Delta_ex -0.3026464E-02 Delta_ec 0.7852109E-03 Delta_et -0.5925437E-02 Pxc 0.4426595E+01 Qxc -0.3854332E+01 3,+1 169 3 -1 2.818796 1.736121 -0.876999 Rho 0.1418169E+00 |GRAD(Rho)| 0.4021409E-12 GRAD(Rho)x -0.5164876E-13 GRAD(Rho)y 0.6941471E-14 GRAD(Rho)z -0.3987499E-12 Laplacian 0.5903387E+00 (-1/4)Del**2(Rho)) -0.1475847E+00 Diamond 0.1118146E+01 Metallicity 0.4501859E+01 Ellipticity 0.1643989E-01 Gb(Abramov) 0.2091240E+00 Vb(Abramov) -0.2706634E+00 Hb(Abramov) -0.6153935E-01 Ex_ueg -0.5462051E-01 Ec_ueg -0.7921753E-02 Delta_ex -0.6252945E-01 Delta_ec 0.1518254E-01 Delta_et -0.2004761E+00 Pxc 0.6895002E+01 Qxc -0.4118510E+01 3,-1 170 3 -1 2.819005 1.747554 0.897621 Rho 0.1253503E+00 |GRAD(Rho)| 0.3870919E-12 GRAD(Rho)x -0.8070398E-13 GRAD(Rho)y 0.5642493E-14 GRAD(Rho)z 0.3785435E-12 Laplacian 0.5210263E+00 (-1/4)Del**2(Rho)) -0.1302566E+00 Diamond 0.8408451E+00 Metallicity 0.4152367E+01 Ellipticity 0.1669531E-01 Gb(Abramov) 0.1769832E+00 Vb(Abramov) -0.2237099E+00 Hb(Abramov) -0.4672665E-01 Ex_ueg -0.4633247E-01 Ec_ueg -0.6884796E-02 Delta_ex -0.5343752E-01 Delta_ec 0.1357756E-01 Delta_et -0.1754164E+00 Pxc 0.6729680E+01 Qxc -0.3935725E+01 3,-1 171 3 -1 3.030678 0.891173 2.027642 Rho 0.1716622E+00 |GRAD(Rho)| 0.1738309E-12 GRAD(Rho)x -0.4418097E-13 GRAD(Rho)y 0.1679932E-12 GRAD(Rho)z -0.6595320E-14 Laplacian 0.6670957E+00 (-1/4)Del**2(Rho)) -0.1667739E+00 Diamond 0.1568414E+01 Metallicity 0.5477087E+01 Ellipticity 0.5863880E-01 Gb(Abramov) 0.2634219E+00 Vb(Abramov) -0.3600698E+00 Hb(Abramov) -0.9664792E-01 Ex_ueg -0.7046143E-01 Ec_ueg -0.9844342E-02 Delta_ex -0.7390050E-01 Delta_ec 0.1604153E-01 Delta_et -0.2163551E+00 Pxc 0.7157556E+01 Qxc -0.4606825E+01 3,-1 172 3 -1 -3.199562 2.200867 2.296765 Rho 0.2337493E+00 |GRAD(Rho)| 0.3579542E-15 GRAD(Rho)x -0.4233809E-16 GRAD(Rho)y 0.2542454E-15 GRAD(Rho)z 0.2483907E-15 Laplacian 0.8670116E+00 (-1/4)Del**2(Rho)) -0.2167529E+00 Diamond 0.2958498E+01 Metallicity 0.7049724E+01 Ellipticity 0.8074178E-02 Gb(Abramov) 0.3991766E+00 Vb(Abramov) -0.5816003E+00 Hb(Abramov) -0.1824237E+00 Ex_ueg -0.1063454E+00 Ec_ueg -0.1400809E-01 Delta_ex -0.1039679E+00 Delta_ec 0.1918423E-01 Delta_et -0.2649667E+00 Pxc 0.7591715E+01 Qxc -0.5419447E+01 3,-1 173 3 +1 -2.987999 -0.438549 -0.015658 Rho 0.5618725E-02 |GRAD(Rho)| 0.6482961E-17 GRAD(Rho)x -0.3974133E-18 GRAD(Rho)y -0.6165810E-17 GRAD(Rho)z -0.1963066E-17 Laplacian 0.2307402E-01 (-1/4)Del**2(Rho)) -0.5768504E-02 Diamond 0.4022743E-03 Metallicity 0.5303383E+00 Ellipticity -0.1342578E+01 Gb(Abramov) 0.4355546E-02 Vb(Abramov) -0.2942587E-02 Hb(Abramov) 0.1412958E-02 Ex_ueg -0.7377379E-03 Ec_ueg -0.1736355E-03 Delta_ex -0.9929729E-03 Delta_ec 0.4041523E-03 Delta_et -0.2401506E-02 Pxc 0.4248774E+01 Qxc -0.2456928E+01 3,+1 174 3 -1 -2.998396 2.061241 0.786411 Rho 0.1402032E+00 |GRAD(Rho)| 0.3904355E-15 GRAD(Rho)x -0.1095112E-15 GRAD(Rho)y 0.4392713E-16 GRAD(Rho)z 0.3721795E-15 Laplacian 0.5482956E+00 (-1/4)Del**2(Rho)) -0.1370739E+00 Diamond 0.1028470E+01 Metallicity 0.4755489E+01 Ellipticity 0.4320843E-01 Gb(Abramov) 0.2000248E+00 Vb(Abramov) -0.2629758E+00 Hb(Abramov) -0.6295093E-01 Ex_ueg -0.5379342E-01 Ec_ueg -0.7819360E-02 Delta_ex -0.5795945E-01 Delta_ec 0.1422118E-01 Delta_et -0.1876292E+00 Pxc 0.6879516E+01 Qxc -0.4075571E+01 3,-1 175 3 -1 2.019669 -1.539489 -2.713794 Rho 0.1142693E+00 |GRAD(Rho)| 0.1558338E-12 GRAD(Rho)x -0.8196300E-13 GRAD(Rho)y 0.6954908E-13 GRAD(Rho)z -0.1128236E-12 Laplacian 0.4317453E+00 (-1/4)Del**2(Rho)) -0.1079363E+00 Diamond 0.6332759E+00 Metallicity 0.4294717E+01 Ellipticity 0.3013340E-01 Gb(Abramov) 0.1492169E+00 Vb(Abramov) -0.1904974E+00 Hb(Abramov) -0.4128055E-01 Ex_ueg -0.4095349E-01 Ec_ueg -0.6197259E-02 Delta_ex -0.4345250E-01 Delta_ec 0.1175156E-01 Delta_et -0.1498290E+00 Pxc 0.6608323E+01 Qxc -0.3697593E+01 3,-1 176 3 -1 1.820512 2.368897 -1.562399 Rho 0.1305795E+00 |GRAD(Rho)| 0.7975442E-13 GRAD(Rho)x 0.7838992E-13 GRAD(Rho)y 0.1467678E-13 GRAD(Rho)z 0.6166468E-15 Laplacian 0.5507863E+00 (-1/4)Del**2(Rho)) -0.1376966E+00 Diamond 0.9434307E+00 Metallicity 0.4204894E+01 Ellipticity 0.1091103E-01 Gb(Abramov) 0.1882976E+00 Vb(Abramov) -0.2388987E+00 Hb(Abramov) -0.5060106E-01 Ex_ueg -0.4892735E-01 Ec_ueg -0.7212170E-02 Delta_ex -0.5716755E-01 Delta_ec 0.1442315E-01 Delta_et -0.1879736E+00 Pxc 0.6783999E+01 Qxc -0.3963598E+01 3,-1 177 3 -1 1.828459 2.376632 1.578022 Rho 0.1229819E+00 |GRAD(Rho)| 0.9272569E-13 GRAD(Rho)x 0.8466983E-13 GRAD(Rho)y 0.3662314E-13 GRAD(Rho)z -0.9371115E-14 Laplacian 0.5157840E+00 (-1/4)Del**2(Rho)) -0.1289460E+00 Diamond 0.8111702E+00 Metallicity 0.4063318E+01 Ellipticity 0.1016425E-01 Gb(Abramov) 0.1732888E+00 Vb(Abramov) -0.2176316E+00 Hb(Abramov) -0.4434277E-01 Ex_ueg -0.4516897E-01 Ec_ueg -0.6737133E-02 Delta_ex -0.5262730E-01 Delta_ec 0.1344760E-01 Delta_et -0.1730941E+00 Pxc 0.6704480E+01 Qxc -0.3913509E+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 76 139 111 106 145 130 121 120 104 138 110 137 102 109 135 146 122 116 133 131 78 112 123 126 162 155 143 153 165 132 169 176 167 157 163 89 72 88 70 74 69 85 56 86 66 77 55 58 64 84 59 75 57 90 71 87 174 114 172 156 170 177 171 158 164 149 161 154 160 175 166 152 142 108 118 97 98 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 18 21 21 22 25 28 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 20 28 36 24 27 37 2.337925 1.934082 1.922673 1.954301 1.937167 1.746878 1.717589 1.693958 1.715989 1.722108 2.337877 1.908178 1.952392 1.926014 1.964033 1.747755 2.461592 1.932497 1.931522 1.935689 1.928633 1.741597 2.403846 1.934320 1.751256 2.181555 1.997046 1.760057 2.506806 1.935063 1.968473 1.849782 1.956530 1.748737 2.388703 1.820283 1.936371 1.968902 2.016163 1.753565 2.309783 2.184268 1.975922 1.963428 1.757641 1.760825 2.363982 2.206133 2.006588 1.955309 1.748864 1.751060 2.367977 1.827931 1.954555 1.951377 2.006883 1.753234 2.549167 1.960174 1.969688 1.847425 1.963405 1.739342 2.433711 1.960224 1.742725 2.176199 2.012517 1.751153 3.297486 3.007767 3.353185 3.219651 3.221437 3.382607 2.339530 1.934569 1.923110 1.954883 1.937792 1.746888 1.717620 1.694012 1.716027 1.722127 2.339518 1.908655 1.952848 1.926611 1.964629 1.747765 2.463472 1.933090 1.932078 1.936385 1.929319 1.741616 2.405721 1.934813 1.751283 2.182080 1.997641 1.760081 2.508407 1.935551 1.968936 1.850151 1.957108 1.748748 2.390277 1.820623 1.936739 1.969440 2.016740 1.753579 2.312142 2.184633 1.976318 1.964044 1.757657 1.760847 2.366442 2.206703 2.007188 1.956084 1.748917 1.751101 2.369466 1.828246 1.954899 1.951907 2.007452 1.753248 2.550624 1.960759 1.970445 1.847983 1.964119 1.739361 2.435386 1.960798 1.742813 2.176936 2.013283 1.751193 3.301327 3.017041 3.355694 3.222869 3.225410 3.385460 32 27 28 28 29 24 22 25 23 22 30 27 26 28 27 23 31 28 28 24 27 24 32 24 24 28 26 23 31 25 25 23 27 23 30 23 26 25 25 23 31 26 27 25 23 23 27 26 26 25 23 23 31 23 28 24 29 23 35 24 25 22 28 23 31 25 24 25 24 22 35 35 37 35 35 37 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 W As W Mo W W W W Mo W Mo Mo 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 2.4478 2.4497 2.4407 2.3045 2.3283 2.4230 2.4307 2.3575 2.2115 2.4315 2.2772 2.1960 -1.1162 -1.0205 -1.1169 -1.1111 -0.9291 -0.9656 -0.9134 -0.9391 -0.6973 -0.9130 -0.9519 -0.9650 -0.9666 -0.9816 -0.9328 -0.7740 -0.9017 -0.9693 -0.9443 -0.9868 -0.9459 -0.9597 -0.9460 -0.7344 -0.8135 -0.9459 -0.9880 -0.9793 -0.8145 -0.7754 -0.8161 -0.7622 -0.8506 -0.8271 -0.8388 -0.8464 -0.7675 -0.8366 -0.7547 2.0971 0.8381 2.0984 1.9703 2.1313 2.0954 2.0938 2.1366 2.0132 2.0958 1.9703 2.0027 1.9374 1.9485 1.9380 1.9337 1.9408 1.9343 1.9437 1.9335 1.9789 1.9372 1.9330 1.9304 1.9306 1.9292 1.9350 1.9648 1.9505 1.9408 1.9449 1.9407 1.9408 1.9412 1.9421 1.9674 1.9558 1.9425 1.9403 1.9391 1.9614 1.9666 1.9609 1.9689 1.9553 1.9597 1.9578 1.9546 1.9657 1.9578 1.9707 6.0998 1.1650 6.0993 6.0728 6.1163 6.0985 6.0952 6.1045 6.0961 6.0957 6.0872 6.1104 5.1421 5.0356 5.1421 5.1406 4.9580 5.0041 4.9401 4.9784 4.6854 4.9510 4.9923 5.0050 5.0064 5.0237 4.9711 4.7741 4.9239 4.9995 4.9708 5.0147 4.9761 4.9897 4.9764 4.7368 4.8254 4.9760 5.0172 5.0094 4.8189 4.7789 4.8212 4.7621 4.8632 4.8335 4.8480 4.8598 4.7719 4.8458 4.7523 3.3256 10.5472 3.3320 3.6524 3.3957 3.3539 3.3506 3.3729 3.6792 3.3472 3.6653 3.6910 0.0367 0.0364 0.0368 0.0368 0.0303 0.0272 0.0296 0.0272 0.0330 0.0248 0.0266 0.0296 0.0296 0.0286 0.0267 0.0351 0.0273 0.0290 0.0286 0.0314 0.0291 0.0287 0.0275 0.0302 0.0324 0.0274 0.0305 0.0308 0.0341 0.0298 0.0340 0.0312 0.0321 0.0339 0.0330 0.0320 0.0299 0.0330 0.0317 14.0296 0.0000 14.0296 0.0000 14.0283 14.0293 14.0297 14.0286 0.0000 14.0298 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 W As W Mo W W W W Mo W Mo Mo 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 2.512032 2.314265 2.510213 3.175491 2.463457 2.496195 2.492157 2.491186 3.153837 2.495684 3.165369 3.135054 -1.114700 -1.074013 -1.125190 -1.125702 -0.960449 -1.101763 -1.020293 -1.086925 -0.989044 -1.205637 -1.078014 -0.978254 -0.978931 -0.978488 -1.096802 -0.839381 -1.094727 -1.085655 -1.034842 -0.973103 -1.077832 -1.069793 -1.091809 -1.010543 -0.865381 -1.093898 -0.969394 -0.970280 -0.854298 -1.056644 -0.856807 -1.039191 -0.901373 -0.869583 -0.884205 -0.894883 -1.044090 -0.882404 -1.030620 1.936688 1.725801 1.942609 2.358034 1.936508 1.939839 1.927701 1.945487 2.346446 1.924590 2.356756 2.338789 -0.768354 -0.771382 -0.783938 -0.778823 -0.739848 -0.831788 -0.814045 -0.832434 -0.779365 -0.933291 -0.824071 -0.730520 -0.731205 -0.719593 -0.833728 -0.730173 -0.900392 -0.883170 -0.886524 -0.804504 -0.881633 -0.883754 -0.900738 -0.808850 -0.774176 -0.904168 -0.798993 -0.796034 -0.761457 -0.856285 -0.761408 -0.831397 -0.810431 -0.773498 -0.788729 -0.813312 -0.850199 -0.788937 -0.818102 2.038811 1.692869 2.044779 2.451890 2.018246 2.046233 2.030441 2.040507 2.450557 2.029773 2.451480 2.421011 -0.823050 -0.804462 -0.832345 -0.826727 -0.811130 -0.924836 -0.872810 -0.928087 -0.784508 -1.016696 -0.928337 -0.806697 -0.809263 -0.818479 -0.918359 -0.738651 -0.913718 -0.936474 -0.907216 -0.851391 -0.915725 -0.934636 -0.936032 -0.791289 -0.760595 -0.941249 -0.850487 -0.830167 -0.722904 -0.829298 -0.723996 -0.794482 -0.781040 -0.737653 -0.748756 -0.794193 -0.840021 -0.749520 -0.781316 2.14967974 0.57644986 -0.87565078 2.39169013 -23.29958719 0.61957391 2.74300193 21.11018203 8.55010592 2.18940517 -354.8741 408.3281 -61.5894 -381.5892 -58.3275 -448.0522 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:57 Nodes: 1 Procs: 1 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:18 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -15.87669137 -16.28787927 -16.18357127 -16.31021943 -16.41134247 -16.44353286 -16.45382726 -16.45643046 -16.46186473 -16.46264781 -16.46321804 -16.46479831 -16.46504149 -16.46555692 -16.46556748 -16.46558318 -16.46559041 -16.46560612 -16.46561385 GEOMETRY CONVERGED