ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:10 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 2.29 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 15:28:10 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:16 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.07 0.05 1.47 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 15:28:10 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:27 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.05 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:10 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:37 Arsenic (TZP, 3p frozen) c10-35 c10-35 c10-35 c10-35 c10-35 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.79 0.06 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 15:28:10 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:05 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2569.377600000003 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3,-3 48 3 -3 -3.718535 -3.779890 0.214569 Rho 0.3194043E+03 3,-3 49 3 -3 -3.797154 0.205867 -3.723877 Rho 0.3195547E+03 3,-3 50 3 -3 -3.773731 -0.206671 3.716450 Rho 0.3194051E+03 3,-3 51 3 -3 3.776583 0.211223 3.720213 Rho 0.3194043E+03 3,-3 52 3 -3 3.778237 -0.214214 -3.717693 Rho 0.3194050E+03 3,-3 53 3 -3 0.003876 -0.003813 -0.000413 Rho 0.4276077E+05 3,-3 54 3 +1 -2.166840 -1.118452 -1.343387 Rho 0.2771366E-01 |GRAD(Rho)| 0.7592899E-13 GRAD(Rho)x -0.5937686E-13 GRAD(Rho)y 0.3478741E-13 GRAD(Rho)z 0.3208482E-13 Laplacian 0.1123954E+00 (-1/4)Del**2(Rho)) -0.2809885E-01 Diamond 0.1767511E-01 Metallicity 0.1556041E+01 Ellipticity -0.4910446E+01 Gb(Abramov) 0.2601973E-01 Vb(Abramov) -0.2394061E-01 Hb(Abramov) 0.2079122E-02 Ex_ueg -0.6194082E-02 Ec_ueg -0.1226290E-02 Delta_ex -0.7255553E-02 Delta_ec 0.2031238E-02 Delta_et -0.1836462E-01 Pxc 0.5051075E+01 Qxc -0.3571986E+01 3,+1 55 3 -1 -1.756441 -0.546916 -1.718435 Rho 0.4123341E-01 |GRAD(Rho)| 0.2914547E-12 GRAD(Rho)x -0.1859751E-12 GRAD(Rho)y 0.2100416E-12 GRAD(Rho)z 0.7900378E-13 Laplacian 0.1742747E+00 (-1/4)Del**2(Rho)) -0.4356868E-01 Diamond 0.6930456E-01 Metallicity 0.1945932E+01 Ellipticity 0.9085782E-02 Gb(Abramov) 0.4317607E-01 Vb(Abramov) -0.4278345E-01 Hb(Abramov) 0.3926153E-03 Ex_ueg -0.1052085E-01 Ec_ueg -0.1936352E-02 Delta_ex -0.1374400E-01 Delta_ec 0.5331969E-02 Delta_et -0.5344326E-01 Pxc 0.5433335E+01 Qxc -0.2577660E+01 3,-1 56 3 -1 -3.168071 -3.230383 0.072370 Rho 0.2526194E+00 |GRAD(Rho)| 0.5024414E-15 GRAD(Rho)x 0.4523291E-15 GRAD(Rho)y 0.2029626E-15 GRAD(Rho)z -0.8155911E-16 Laplacian 0.9198251E+00 (-1/4)Del**2(Rho)) -0.2299563E+00 Diamond 0.3445885E+01 Metallicity 0.7562856E+01 Ellipticity 0.1594540E-02 Gb(Abramov) 0.4431586E+00 Vb(Abramov) -0.6563608E+00 Hb(Abramov) -0.2132023E+00 Ex_ueg -0.1179435E+00 Ec_ueg -0.1531582E-01 Delta_ex -0.1125643E+00 Delta_ec 0.1988257E-01 Delta_et -0.2751916E+00 Pxc 0.7700766E+01 Qxc -0.5661459E+01 3,-1 57 3 -1 -1.783423 -2.797499 0.573919 Rho 0.1525335E+00 |GRAD(Rho)| 0.1328092E-13 GRAD(Rho)x -0.8774042E-14 GRAD(Rho)y 0.5141253E-14 GRAD(Rho)z -0.8542049E-14 Laplacian 0.6402814E+00 (-1/4)Del**2(Rho)) -0.1600704E+00 Diamond 0.1318673E+01 Metallicity 0.4686527E+01 Ellipticity 0.1442504E-01 Gb(Abramov) 0.2317426E+00 Vb(Abramov) -0.3034148E+00 Hb(Abramov) -0.7167223E-01 Ex_ueg -0.6019201E-01 Ec_ueg -0.8605894E-02 Delta_ex -0.6899330E-01 Delta_ec 0.1608694E-01 Delta_et -0.2144285E+00 Pxc 0.6994278E+01 Qxc -0.4288777E+01 3,-1 58 3 +1 -0.163664 2.892455 0.175056 Rho 0.5340013E-02 |GRAD(Rho)| 0.6016622E-13 GRAD(Rho)x 0.4895041E-14 GRAD(Rho)y -0.5975831E-13 GRAD(Rho)z -0.4995685E-14 Laplacian 0.2199845E-01 (-1/4)Del**2(Rho)) -0.5499613E-02 Diamond 0.5425217E-03 Metallicity 0.5110439E+00 Ellipticity -0.2810590E+01 Gb(Abramov) 0.4134833E-02 Vb(Abramov) -0.2770052E-02 Hb(Abramov) 0.1364780E-02 Ex_ueg -0.6893527E-03 Ec_ueg -0.1615742E-03 Delta_ex -0.1092530E-02 Delta_ec 0.6654830E-03 Delta_et -0.3697122E-02 Pxc 0.4266478E+01 Qxc -0.1641710E+01 3,+1 59 3 +1 0.171949 2.898053 -0.171753 Rho 0.5323985E-02 |GRAD(Rho)| 0.7285883E-17 GRAD(Rho)x -0.6546936E-17 GRAD(Rho)y 0.3366706E-18 GRAD(Rho)z -0.3179367E-17 Laplacian 0.2193537E-01 (-1/4)Del**2(Rho)) -0.5483843E-02 Diamond 0.5288560E-03 Metallicity 0.5099522E+00 Ellipticity -0.2535346E+01 Gb(Abramov) 0.4121978E-02 Vb(Abramov) -0.2760114E-02 Hb(Abramov) 0.1361865E-02 Ex_ueg -0.6865952E-03 Ec_ueg -0.1608817E-03 Delta_ex -0.1080273E-02 Delta_ec 0.6484390E-03 Delta_et -0.3605523E-02 Pxc 0.4267702E+01 Qxc -0.1665959E+01 3,+1 60 3 -1 -3.014884 -0.865901 -1.980888 Rho 0.1418465E+00 |GRAD(Rho)| 0.2268883E-13 GRAD(Rho)x 0.6687467E-14 GRAD(Rho)y 0.1697291E-13 GRAD(Rho)z -0.1349004E-13 Laplacian 0.5562585E+00 (-1/4)Del**2(Rho)) -0.1390646E+00 Diamond 0.1044217E+01 Metallicity 0.4779335E+01 Ellipticity 0.5892636E-01 Gb(Abramov) 0.2034825E+00 Vb(Abramov) -0.2679004E+00 Hb(Abramov) -0.6441786E-01 Ex_ueg -0.5463570E-01 Ec_ueg -0.7923632E-02 Delta_ex -0.5881914E-01 Delta_ec 0.1412056E-01 Delta_et -0.1860663E+00 Pxc 0.6895285E+01 Qxc -0.4165496E+01 3,-1 61 3 +1 -2.886047 -0.174613 -0.189808 Rho 0.5316990E-02 |GRAD(Rho)| 0.2736374E-14 GRAD(Rho)x -0.1800595E-15 GRAD(Rho)y -0.1884474E-14 GRAD(Rho)z -0.1975874E-14 Laplacian 0.2208827E-01 (-1/4)Del**2(Rho)) -0.5522067E-02 Diamond 0.5297322E-03 Metallicity 0.5053139E+00 Ellipticity -0.2433092E+01 Gb(Abramov) 0.4146441E-02 Vb(Abramov) -0.2770815E-02 Hb(Abramov) 0.1375626E-02 Ex_ueg -0.6853928E-03 Ec_ueg -0.1605796E-03 Delta_ex -0.1085919E-02 Delta_ec 0.6501041E-03 Delta_et -0.3614587E-02 Pxc 0.4268244E+01 Qxc -0.1670377E+01 3,+1 62 3 +1 -0.518580 1.664578 -0.546395 Rho 0.8747804E-02 |GRAD(Rho)| 0.1761676E-16 GRAD(Rho)x -0.5426957E-17 GRAD(Rho)y 0.1643151E-16 GRAD(Rho)z -0.3302128E-17 Laplacian 0.3401547E-01 (-1/4)Del**2(Rho)) -0.8503868E-02 Diamond 0.9386421E-03 Metallicity 0.7523762E+00 Ellipticity -0.1465049E+01 Gb(Abramov) 0.6735596E-02 Vb(Abramov) -0.4967325E-02 Hb(Abramov) 0.1768271E-02 Ex_ueg -0.1331222E-02 Ec_ueg -0.3115981E-03 Delta_ex -0.1563745E-02 Delta_ec 0.4841214E-03 Delta_et -0.3319051E-02 Pxc 0.4272240E+01 Qxc -0.3230068E+01 3,+1 63 3 +1 -0.526055 -0.543706 1.657469 Rho 0.8835815E-02 |GRAD(Rho)| 0.1725331E-16 GRAD(Rho)x 0.4090329E-17 GRAD(Rho)y 0.9640449E-17 GRAD(Rho)z -0.1371159E-16 Laplacian 0.3426567E-01 (-1/4)Del**2(Rho)) -0.8566417E-02 Diamond 0.9612576E-03 Metallicity 0.7594484E+00 Ellipticity -0.1475985E+01 Gb(Abramov) 0.6795237E-02 Vb(Abramov) -0.5024057E-02 Hb(Abramov) 0.1771180E-02 Ex_ueg -0.1349110E-02 Ec_ueg -0.3155434E-03 Delta_ex -0.1580427E-02 Delta_ec 0.4897934E-03 Delta_et -0.3364924E-02 Pxc 0.4275511E+01 Qxc -0.3226721E+01 3,+1 64 3 -1 -2.890116 0.029628 0.014646 Rho 0.5375016E-02 |GRAD(Rho)| 0.2130389E-16 GRAD(Rho)x 0.6852027E-17 GRAD(Rho)y 0.1793021E-16 GRAD(Rho)z 0.9241915E-17 Laplacian 0.2160005E-01 (-1/4)Del**2(Rho)) -0.5400012E-02 Diamond 0.6344665E-03 Metallicity 0.5261683E+00 Ellipticity 0.3432628E+01 Gb(Abramov) 0.4073560E-02 Vb(Abramov) -0.2747109E-02 Hb(Abramov) 0.1326451E-02 Ex_ueg -0.6953840E-03 Ec_ueg -0.1630868E-03 Delta_ex -0.1155977E-02 Delta_ec 0.7995625E-03 Delta_et -0.4389715E-02 Pxc 0.4263889E+01 Qxc -0.1445762E+01 3,-1 65 3 +1 -2.884794 0.148537 0.133603 Rho 0.5361318E-02 |GRAD(Rho)| 0.5922102E-17 GRAD(Rho)x 0.6353175E-18 GRAD(Rho)y -0.2697360E-17 GRAD(Rho)z 0.5233728E-17 Laplacian 0.2196281E-01 (-1/4)Del**2(Rho)) -0.5490702E-02 Diamond 0.5585664E-03 Metallicity 0.5152816E+00 Ellipticity -0.3524827E+01 Gb(Abramov) 0.4132011E-02 Vb(Abramov) -0.2773320E-02 Hb(Abramov) 0.1358691E-02 Ex_ueg -0.6930223E-03 Ec_ueg -0.1624948E-03 Delta_ex -0.1103476E-02 Delta_ec 0.6855751E-03 Delta_et -0.3804441E-02 Pxc 0.4264889E+01 Qxc -0.1609562E+01 3,+1 66 3 +1 1.100242 1.357059 -2.172461 Rho 0.2795678E-01 |GRAD(Rho)| 0.4994333E-16 GRAD(Rho)x 0.1665004E-17 GRAD(Rho)y -0.8025515E-17 GRAD(Rho)z -0.4926616E-16 Laplacian 0.1131692E+00 (-1/4)Del**2(Rho)) -0.2829230E-01 Diamond 0.1758813E-01 Metallicity 0.1568063E+01 Ellipticity -0.4213702E+01 Gb(Abramov) 0.2625555E-01 Vb(Abramov) -0.2421880E-01 Hb(Abramov) 0.2036747E-02 Ex_ueg -0.6266638E-02 Ec_ueg -0.1238705E-02 Delta_ex -0.7282862E-02 Delta_ec 0.1974418E-02 Delta_et -0.1789910E-01 Pxc 0.5059022E+01 Qxc -0.3688611E+01 3,+1 67 3 -1 -3.245586 0.055441 -3.169707 Rho 0.2425559E+00 |GRAD(Rho)| 0.5010274E-14 GRAD(Rho)x 0.4534567E-14 GRAD(Rho)y 0.1931994E-14 GRAD(Rho)z 0.8988578E-15 Laplacian 0.8617761E+00 (-1/4)Del**2(Rho)) -0.2154440E+00 Diamond 0.3105497E+01 Metallicity 0.7543479E+01 Ellipticity 0.9263659E-03 Gb(Abramov) 0.4144956E+00 Vb(Abramov) -0.6135471E+00 Hb(Abramov) -0.1990516E+00 Ex_ueg -0.1117208E+00 Ec_ueg -0.1461597E-01 Delta_ex -0.1045060E+00 Delta_ec 0.1915114E-01 Delta_et -0.2661454E+00 Pxc 0.7643749E+01 Qxc -0.5456905E+01 3,-1 68 3 +3 -2.326056 -0.010290 -0.027376 Rho 0.4709841E-02 |GRAD(Rho)| 0.2332825E-14 GRAD(Rho)x 0.1716418E-14 GRAD(Rho)y 0.1103457E-14 GRAD(Rho)z 0.1130647E-14 Laplacian 0.1926412E-01 (-1/4)Del**2(Rho)) -0.4816030E-02 Diamond 0.1806151E-03 Metallicity 0.4733776E+00 Ellipticity -0.3096254E+00 Gb(Abramov) 0.3590653E-02 Vb(Abramov) -0.2365277E-02 Hb(Abramov) 0.1225376E-02 Ex_ueg -0.5830781E-03 Ec_ueg -0.1344475E-03 Delta_ex -0.7116056E-03 Delta_ec 0.1865882E-03 Delta_et -0.1166148E-02 Pxc 0.4336845E+01 Qxc -0.3813776E+01 3,+3 69 3 -1 -3.221441 -0.058288 3.170450 Rho 0.2526999E+00 |GRAD(Rho)| 0.4824459E-15 GRAD(Rho)x 0.2668222E-15 GRAD(Rho)y 0.5686640E-16 GRAD(Rho)z 0.3979022E-15 Laplacian 0.9205265E+00 (-1/4)Del**2(Rho)) -0.2301316E+00 Diamond 0.3449484E+01 Metallicity 0.7561104E+01 Ellipticity 0.1279273E-02 Gb(Abramov) 0.4434293E+00 Vb(Abramov) -0.6567270E+00 Hb(Abramov) -0.2132977E+00 Ex_ueg -0.1179936E+00 Ec_ueg -0.1532143E-01 Delta_ex -0.1126579E+00 Delta_ec 0.1989268E-01 Delta_et -0.2753182E+00 Pxc 0.7701211E+01 Qxc -0.5663283E+01 3,-1 70 3 +1 -1.228696 -2.179376 -1.223917 Rho 0.2970634E-01 |GRAD(Rho)| 0.2652819E-16 GRAD(Rho)x 0.1329799E-16 GRAD(Rho)y 0.2170960E-16 GRAD(Rho)z 0.7456683E-17 Laplacian 0.1226840E+00 (-1/4)Del**2(Rho)) -0.3067101E-01 Diamond 0.2214601E-01 Metallicity 0.1600444E+01 Ellipticity -0.9221758E+01 Gb(Abramov) 0.2862854E-01 Vb(Abramov) -0.2658608E-01 Hb(Abramov) 0.2042465E-02 Ex_ueg -0.6794914E-02 Ec_ueg -0.1328470E-02 Delta_ex -0.8147093E-02 Delta_ec 0.2358670E-02 Delta_et -0.2167699E-01 Pxc 0.5114842E+01 Qxc -0.3454105E+01 3,+1 71 3 -1 -2.998253 0.861887 1.965432 Rho 0.1465068E+00 |GRAD(Rho)| 0.1591177E-13 GRAD(Rho)x -0.7062425E-14 GRAD(Rho)y -0.6740648E-14 GRAD(Rho)z 0.1256464E-13 Laplacian 0.5776587E+00 (-1/4)Del**2(Rho)) -0.1444147E+00 Diamond 0.1141147E+01 Metallicity 0.4857040E+01 Ellipticity 0.4138501E-01 Gb(Abramov) 0.2131811E+00 Vb(Abramov) -0.2819475E+00 Hb(Abramov) -0.6876641E-01 Ex_ueg -0.5704211E-01 Ec_ueg -0.8220277E-02 Delta_ex -0.6171014E-01 Delta_ec 0.1480079E-01 Delta_et -0.1965040E+00 Pxc 0.6939195E+01 Qxc -0.4169383E+01 3,-1 72 3 -1 -2.755961 1.827809 -0.560963 Rho 0.1333928E+00 |GRAD(Rho)| 0.1029757E-14 GRAD(Rho)x 0.2762649E-15 GRAD(Rho)y 0.6966812E-15 GRAD(Rho)z 0.7061951E-15 Laplacian 0.5593382E+00 (-1/4)Del**2(Rho)) -0.1398345E+00 Diamond 0.9876357E+00 Metallicity 0.4290351E+01 Ellipticity 0.1136512E-01 Gb(Abramov) 0.1932129E+00 Vb(Abramov) -0.2465913E+00 Hb(Abramov) -0.5337836E-01 Ex_ueg -0.5033789E-01 Ec_ueg -0.7389049E-02 Delta_ex -0.5840983E-01 Delta_ec 0.1467012E-01 Delta_et -0.1920335E+00 Pxc 0.6812499E+01 Qxc -0.3981550E+01 3,-1 73 3 -1 -2.971777 2.006097 0.843751 Rho 0.1347434E+00 |GRAD(Rho)| 0.7226104E-15 GRAD(Rho)x 0.3882596E-15 GRAD(Rho)y 0.3076424E-15 GRAD(Rho)z -0.5260956E-15 Laplacian 0.5304537E+00 (-1/4)Del**2(Rho)) -0.1326134E+00 Diamond 0.9485661E+00 Metallicity 0.4600569E+01 Ellipticity 0.2880081E-01 Gb(Abramov) 0.1900918E+00 Vb(Abramov) -0.2475702E+00 Hb(Abramov) -0.5747840E-01 Ex_ueg -0.5101859E-01 Ec_ueg -0.7474147E-02 Delta_ex -0.5553472E-01 Delta_ec 0.1388973E-01 Delta_et -0.1821298E+00 Pxc 0.6826008E+01 Qxc -0.3998258E+01 3,-1 74 3 +1 -2.170627 1.278818 1.166160 Rho 0.2944324E-01 |GRAD(Rho)| 0.5499688E-16 GRAD(Rho)x 0.5255670E-16 GRAD(Rho)y -0.1538228E-16 GRAD(Rho)z 0.5082861E-17 Laplacian 0.1210624E+00 (-1/4)Del**2(Rho)) -0.3026560E-01 Diamond 0.2137325E-01 Metallicity 0.1598012E+01 Ellipticity -0.7802506E+01 Gb(Abramov) 0.2823787E-01 Vb(Abramov) -0.2621013E-01 Hb(Abramov) 0.2027737E-02 Ex_ueg -0.6714792E-02 Ec_ueg -0.1314925E-02 Delta_ex -0.8001768E-02 Delta_ec 0.2294064E-02 Delta_et -0.2103980E-01 Pxc 0.5106598E+01 Qxc -0.3488032E+01 3,+1 75 3 -1 -2.780715 -0.563975 1.781236 Rho 0.1406545E+00 |GRAD(Rho)| 0.1917560E-15 GRAD(Rho)x 0.3683577E-16 GRAD(Rho)y -0.1864557E-15 GRAD(Rho)z -0.2545165E-16 Laplacian 0.5932592E+00 (-1/4)Del**2(Rho)) -0.1483148E+00 Diamond 0.1112749E+01 Metallicity 0.4418666E+01 Ellipticity 0.9039710E-02 Gb(Abramov) 0.2081021E+00 Vb(Abramov) -0.2678894E+00 Hb(Abramov) -0.5978732E-01 Ex_ueg -0.5402437E-01 Ec_ueg -0.7847975E-02 Delta_ex -0.6271417E-01 Delta_ec 0.1529080E-01 Delta_et -0.2016630E+00 Pxc 0.6883861E+01 Qxc -0.4101431E+01 3,-1 76 3 +1 -1.407740 -1.055000 -2.158572 Rho 0.2756394E-01 |GRAD(Rho)| 0.1540502E-14 GRAD(Rho)x -0.1349744E-14 GRAD(Rho)y 0.3294498E-15 GRAD(Rho)z -0.6654328E-15 Laplacian 0.1103482E+00 (-1/4)Del**2(Rho)) -0.2758704E-01 Diamond 0.1580993E-01 Metallicity 0.1570665E+01 Ellipticity -0.3112522E+01 Gb(Abramov) 0.2561303E-01 Vb(Abramov) -0.2363901E-01 Hb(Abramov) 0.1974013E-02 Ex_ueg -0.6149505E-02 Ec_ueg -0.1218651E-02 Delta_ex -0.6978269E-02 Delta_ec 0.1753458E-02 Delta_et -0.1586807E-01 Pxc 0.5046156E+01 Qxc -0.3979718E+01 3,+1 77 3 +1 -1.658330 -0.536980 0.526411 Rho 0.9076299E-02 |GRAD(Rho)| 0.8267338E-17 GRAD(Rho)x 0.4749042E-17 GRAD(Rho)y -0.1677324E-18 GRAD(Rho)z -0.6765156E-17 Laplacian 0.3536164E-01 (-1/4)Del**2(Rho)) -0.8840409E-02 Diamond 0.1005706E-02 Metallicity 0.7695948E+00 Ellipticity -0.1455299E+01 Gb(Abramov) 0.7027528E-02 Vb(Abramov) -0.5214647E-02 Hb(Abramov) 0.1812881E-02 Ex_ueg -0.1398288E-02 Ec_ueg -0.3263411E-03 Delta_ex -0.1632346E-02 Delta_ec 0.4880242E-03 Delta_et -0.3389736E-02 Pxc 0.4284746E+01 Qxc -0.3344806E+01 3,+1 78 3 -1 -3.163805 3.234769 -0.061820 Rho 0.2523854E+00 |GRAD(Rho)| 0.6626846E-14 GRAD(Rho)x -0.2265983E-15 GRAD(Rho)y 0.5937416E-14 GRAD(Rho)z 0.2934420E-14 Laplacian 0.9190322E+00 (-1/4)Del**2(Rho)) -0.2297580E+00 Diamond 0.3439832E+01 Metallicity 0.7557696E+01 Ellipticity 0.1694951E-02 Gb(Abramov) 0.4425789E+00 Vb(Abramov) -0.6553998E+00 Hb(Abramov) -0.2128209E+00 Ex_ueg -0.1177978E+00 Ec_ueg -0.1529948E-01 Delta_ex -0.1124437E+00 Delta_ec 0.1987779E-01 Delta_et -0.2751531E+00 Pxc 0.7699468E+01 Qxc -0.5656749E+01 3,-1 79 3 -1 -2.796154 0.563564 -1.800763 Rho 0.1370746E+00 |GRAD(Rho)| 0.1759350E-11 GRAD(Rho)x -0.3185717E-12 GRAD(Rho)y 0.1178110E-11 GRAD(Rho)z 0.1267234E-11 Laplacian 0.5777498E+00 (-1/4)Del**2(Rho)) -0.1444375E+00 Diamond 0.1033523E+01 Metallicity 0.4346451E+01 Ellipticity 0.1856076E-01 Gb(Abramov) 0.2009234E+00 Vb(Abramov) -0.2574093E+00 Hb(Abramov) -0.5648591E-01 Ex_ueg -0.5219885E-01 Ec_ueg -0.7621307E-02 Delta_ex -0.6050083E-01 Delta_ec 0.1464196E-01 Delta_et -0.1916586E+00 Pxc 0.6849068E+01 Qxc -0.4132017E+01 3,-1 80 3 +1 -1.664992 0.515984 -0.551670 Rho 0.8734541E-02 |GRAD(Rho)| 0.1175913E-16 GRAD(Rho)x 0.6285441E-17 GRAD(Rho)y -0.8683348E-17 GRAD(Rho)z 0.4834232E-17 Laplacian 0.3391672E-01 (-1/4)Del**2(Rho)) -0.8479179E-02 Diamond 0.9369129E-03 Metallicity 0.7526611E+00 Ellipticity -0.1469667E+01 Gb(Abramov) 0.6716444E-02 Vb(Abramov) -0.4953709E-02 Hb(Abramov) 0.1762735E-02 Ex_ueg -0.1328531E-02 Ec_ueg -0.3110038E-03 Delta_ex -0.1559900E-02 Delta_ec 0.4850242E-03 Delta_et -0.3322096E-02 Pxc 0.4271752E+01 Qxc -0.3216128E+01 3,+1 81 3 +1 -0.175394 0.170189 2.894560 Rho 0.5319514E-02 |GRAD(Rho)| 0.3594417E-17 GRAD(Rho)x 0.1136170E-17 GRAD(Rho)y -0.3205220E-17 GRAD(Rho)z -0.1164266E-17 Laplacian 0.2201459E-01 (-1/4)Del**2(Rho)) -0.5503648E-02 Diamond 0.5336980E-03 Metallicity 0.5074061E+00 Ellipticity -0.2567507E+01 Gb(Abramov) 0.4134530E-02 Vb(Abramov) -0.2765411E-02 Hb(Abramov) 0.1369119E-02 Ex_ueg -0.6858266E-03 Ec_ueg -0.1606886E-03 Delta_ex -0.1087012E-02 Delta_ec 0.6561717E-03 Delta_et -0.3645302E-02 Pxc 0.4268048E+01 Qxc -0.1656598E+01 3,+1 82 3 -1 0.010169 0.026238 -2.900039 Rho 0.5384275E-02 |GRAD(Rho)| 0.7973178E-17 GRAD(Rho)x 0.5582643E-17 GRAD(Rho)y -0.5530656E-17 GRAD(Rho)z 0.1348145E-17 Laplacian 0.2158085E-01 (-1/4)Del**2(Rho)) -0.5395213E-02 Diamond 0.6449630E-03 Metallicity 0.5281492E+00 Ellipticity 0.2663219E+01 Gb(Abramov) 0.4071722E-02 Vb(Abramov) -0.2748230E-02 Hb(Abramov) 0.1323491E-02 Ex_ueg -0.6969817E-03 Ec_ueg -0.1634870E-03 Delta_ex -0.1163386E-02 Delta_ec 0.8132604E-03 Delta_et -0.4462348E-02 Pxc 0.4263223E+01 Qxc -0.1430520E+01 3,-1 83 3 +1 -1.738498 1.747368 -1.755694 Rho 0.1207090E-01 |GRAD(Rho)| 0.3144737E-14 GRAD(Rho)x -0.2063537E-15 GRAD(Rho)y 0.2184438E-14 GRAD(Rho)z 0.2252780E-14 Laplacian 0.6086463E-01 (-1/4)Del**2(Rho)) -0.1521616E-01 Diamond 0.2462438E-02 Metallicity 0.7191419E+00 Ellipticity -0.1247351E+01 Gb(Abramov) 0.1196787E-01 Vb(Abramov) -0.8719577E-02 Hb(Abramov) 0.3248290E-02 Ex_ueg -0.2045054E-02 Ec_ueg -0.4628432E-03 Delta_ex -0.2997507E-02 Delta_ec 0.7919660E-03 Delta_et -0.5945497E-02 Pxc 0.4418460E+01 Qxc -0.3784894E+01 3,+1 84 3 -1 -1.970885 -3.003129 -0.860851 Rho 0.1424448E+00 |GRAD(Rho)| 0.3081242E-12 GRAD(Rho)x 0.1625633E-12 GRAD(Rho)y -0.1273935E-12 GRAD(Rho)z -0.2286583E-12 Laplacian 0.5611188E+00 (-1/4)Del**2(Rho)) -0.1402797E+00 Diamond 0.1072104E+01 Metallicity 0.4771291E+01 Ellipticity 0.3876178E-01 Gb(Abramov) 0.2050724E+00 Vb(Abramov) -0.2698650E+00 Hb(Abramov) -0.6479265E-01 Ex_ueg -0.5494318E-01 Ec_ueg -0.7961639E-02 Delta_ex -0.5953748E-01 Delta_ec 0.1448497E-01 Delta_et -0.1915389E+00 Pxc 0.6900988E+01 Qxc -0.4110294E+01 3,-1 85 3 +1 -0.508346 -1.675790 0.555940 Rho 0.8731581E-02 |GRAD(Rho)| 0.6522839E-12 GRAD(Rho)x 0.5630310E-12 GRAD(Rho)y -0.2891728E-12 GRAD(Rho)z -0.1576370E-12 Laplacian 0.3389690E-01 (-1/4)Del**2(Rho)) -0.8474224E-02 Diamond 0.9319671E-03 Metallicity 0.7526760E+00 Ellipticity -0.1464624E+01 Gb(Abramov) 0.6712540E-02 Vb(Abramov) -0.4950856E-02 Hb(Abramov) 0.1761684E-02 Ex_ueg -0.1327931E-02 Ec_ueg -0.3108713E-03 Delta_ex -0.1557103E-02 Delta_ec 0.4816142E-03 Delta_et -0.3300939E-02 Pxc 0.4271644E+01 Qxc -0.3233093E+01 3,+1 86 3 +1 -0.544782 0.523397 -1.672689 Rho 0.8455657E-02 |GRAD(Rho)| 0.1491445E-13 GRAD(Rho)x 0.5510579E-14 GRAD(Rho)y -0.8977610E-14 GRAD(Rho)z 0.1055827E-13 Laplacian 0.3262220E-01 (-1/4)Del**2(Rho)) -0.8155551E-02 Diamond 0.8760051E-03 Metallicity 0.7413310E+00 Ellipticity -0.1482251E+01 Gb(Abramov) 0.6444695E-02 Vb(Abramov) -0.4733838E-02 Hb(Abramov) 0.1710857E-02 Ex_ueg -0.1272277E-02 Ec_ueg -0.2985265E-03 Delta_ex -0.1494496E-02 Delta_ec 0.4778899E-03 Delta_et -0.3236776E-02 Pxc 0.4261855E+01 Qxc -0.3127281E+01 3,+1 87 3 +3 -0.003690 0.002111 2.320543 Rho 0.4657792E-02 |GRAD(Rho)| 0.5382695E-12 GRAD(Rho)x 0.5318555E-12 GRAD(Rho)y 0.5538426E-13 GRAD(Rho)z 0.6161442E-13 Laplacian 0.1901698E-01 (-1/4)Del**2(Rho)) -0.4754245E-02 Diamond 0.1741981E-03 Metallicity 0.4707298E+00 Ellipticity -0.3209431E+00 Gb(Abramov) 0.3542491E-02 Vb(Abramov) -0.2330737E-02 Hb(Abramov) 0.1211754E-02 Ex_ueg -0.5745024E-03 Ec_ueg -0.1322160E-03 Delta_ex -0.6990340E-03 Delta_ec 0.1815867E-03 Delta_et -0.1135283E-02 Pxc 0.4345179E+01 Qxc -0.3849588E+01 3,+3 88 3 -1 -1.706847 -1.749458 -0.523261 Rho 0.4807121E-01 |GRAD(Rho)| 0.6118599E-16 GRAD(Rho)x 0.4913172E-16 GRAD(Rho)y -0.1040707E-16 GRAD(Rho)z -0.3494985E-16 Laplacian 0.1961233E+00 (-1/4)Del**2(Rho)) -0.4903081E-01 Diamond 0.9337928E-01 Metallicity 0.2233019E+01 Ellipticity 0.1335625E-01 Gb(Abramov) 0.5093500E-01 Vb(Abramov) -0.5283919E-01 Hb(Abramov) -0.1904186E-02 Ex_ueg -0.1290917E-01 Ec_ueg -0.2308538E-02 Delta_ex -0.1594528E-01 Delta_ec 0.5775372E-02 Delta_et -0.6025827E-01 Pxc 0.5591926E+01 Qxc -0.2760909E+01 3,-1 89 3 +1 -1.735934 -1.753942 1.737446 Rho 0.1223327E-01 |GRAD(Rho)| 0.1244451E-12 GRAD(Rho)x 0.1049196E-12 GRAD(Rho)y -0.4523093E-13 GRAD(Rho)z 0.4932166E-13 Laplacian 0.6177771E-01 (-1/4)Del**2(Rho)) -0.1544443E-01 Diamond 0.2537403E-02 Metallicity 0.7244679E+00 Ellipticity -0.1249945E+01 Gb(Abramov) 0.1216112E-01 Vb(Abramov) -0.8877807E-02 Hb(Abramov) 0.3283311E-02 Ex_ueg -0.2081814E-02 Ec_ueg -0.4703484E-03 Delta_ex -0.3050913E-02 Delta_ec 0.7997211E-03 Delta_et -0.6026491E-02 Pxc 0.4426111E+01 Qxc -0.3814972E+01 3,+1 90 3 -1 -1.711421 1.740900 0.528977 Rho 0.4789922E-01 |GRAD(Rho)| 0.4937060E-16 GRAD(Rho)x 0.1970580E-16 GRAD(Rho)y -0.2596961E-16 GRAD(Rho)z -0.3707717E-16 Laplacian 0.1958832E+00 (-1/4)Del**2(Rho)) -0.4897079E-01 Diamond 0.9283815E-01 Metallicity 0.2222441E+01 Ellipticity 0.1157846E-01 Gb(Abramov) 0.5078631E-01 Vb(Abramov) -0.5260182E-01 Hb(Abramov) -0.1815518E-02 Ex_ueg -0.1284763E-01 Ec_ueg -0.2299084E-02 Delta_ex -0.1591261E-01 Delta_ec 0.5770623E-02 Delta_et -0.6015277E-01 Pxc 0.5588152E+01 Qxc -0.2757521E+01 3,-1 91 3 +3 -1.090030 -1.126486 1.112096 Rho 0.5256337E-02 |GRAD(Rho)| 0.1449708E-14 GRAD(Rho)x 0.1345639E-14 GRAD(Rho)y -0.4973439E-15 GRAD(Rho)z -0.2087020E-15 Laplacian 0.2041345E-01 (-1/4)Del**2(Rho)) -0.5103363E-02 Diamond 0.1512316E-03 Metallicity 0.5364165E+00 Ellipticity -0.9940814E-01 Gb(Abramov) 0.3858496E-02 Vb(Abramov) -0.2613630E-02 Hb(Abramov) 0.1244866E-02 Ex_ueg -0.6749880E-03 Ec_ueg -0.1579607E-03 Delta_ex -0.7138999E-03 Delta_ec 0.8770018E-04 Delta_et -0.7066074E-03 Pxc 0.4273140E+01 Qxc -0.8140233E+01 3,+3 92 3 -1 -1.781276 2.793477 -0.567034 Rho 0.1506132E+00 |GRAD(Rho)| 0.3189454E-13 GRAD(Rho)x -0.2386492E-13 GRAD(Rho)y -0.5935289E-14 GRAD(Rho)z 0.2031009E-13 Laplacian 0.6327125E+00 (-1/4)Del**2(Rho)) -0.1581781E+00 Diamond 0.1283925E+01 Metallicity 0.4643498E+01 Ellipticity 0.1479832E-01 Gb(Abramov) 0.2278687E+00 Vb(Abramov) -0.2975593E+00 Hb(Abramov) -0.6969060E-01 Ex_ueg -0.5918376E-01 Ec_ueg -0.8482781E-02 Delta_ex -0.6797032E-01 Delta_ec 0.1595635E-01 Delta_et -0.2123435E+00 Pxc 0.6976929E+01 Qxc -0.4259766E+01 3,-1 93 3 +3 0.008580 2.319063 -0.004712 Rho 0.4658588E-02 |GRAD(Rho)| 0.2339286E-15 GRAD(Rho)x 0.5082995E-16 GRAD(Rho)y 0.2111475E-15 GRAD(Rho)z -0.8692324E-16 Laplacian 0.1896579E-01 (-1/4)Del**2(Rho)) -0.4741448E-02 Diamond 0.1724052E-03 Metallicity 0.4721347E+00 Ellipticity -0.3186789E+00 Gb(Abramov) 0.3534066E-02 Vb(Abramov) -0.2326684E-02 Hb(Abramov) 0.1207382E-02 Ex_ueg -0.5746333E-03 Ec_ueg -0.1322502E-03 Delta_ex -0.6957907E-03 Delta_ec 0.1786125E-03 Delta_et -0.1120072E-02 Pxc 0.4345048E+01 Qxc -0.3895532E+01 3,+3 94 3 -1 -1.969304 3.008222 0.866661 Rho 0.1481961E+00 |GRAD(Rho)| 0.2569464E-12 GRAD(Rho)x -0.1486744E-12 GRAD(Rho)y -0.9043919E-13 GRAD(Rho)z -0.1890453E-12 Laplacian 0.5826288E+00 (-1/4)Del**2(Rho)) -0.1456572E+00 Diamond 0.1168127E+01 Metallicity 0.4908503E+01 Ellipticity 0.4357780E-01 Gb(Abramov) 0.2162646E+00 Vb(Abramov) -0.2868720E+00 Hb(Abramov) -0.7060739E-01 Ex_ueg -0.5792072E-01 Ec_ueg -0.8328137E-02 Delta_ex -0.6242836E-01 Delta_ec 0.1490773E-01 Delta_et -0.1982980E+00 Pxc 0.6954824E+01 Qxc -0.4187650E+01 3,-1 95 3 -1 -1.843367 0.551266 -2.768134 Rho 0.1174841E+00 |GRAD(Rho)| 0.4899252E-13 GRAD(Rho)x -0.1957827E-13 GRAD(Rho)y -0.3531611E-13 GRAD(Rho)z 0.2774402E-13 Laplacian 0.4876029E+00 (-1/4)Del**2(Rho)) -0.1219007E+00 Diamond 0.7299762E+00 Metallicity 0.3982709E+01 Ellipticity 0.6230325E-02 Gb(Abramov) 0.1621830E+00 Vb(Abramov) -0.2024652E+00 Hb(Abramov) -0.4028227E-01 Ex_ueg -0.4249688E-01 Ec_ueg -0.6395840E-02 Delta_ex -0.4926693E-01 Delta_ec 0.1295314E-01 Delta_et -0.1656055E+00 Pxc 0.6644456E+01 Qxc -0.3803473E+01 3,-1 96 3 -1 -1.737568 0.534305 1.709921 Rho 0.4823167E-01 |GRAD(Rho)| 0.7488197E-16 GRAD(Rho)x 0.2421244E-17 GRAD(Rho)y -0.4583634E-16 GRAD(Rho)z 0.5916483E-16 Laplacian 0.1973606E+00 (-1/4)Del**2(Rho)) -0.4934014E-01 Diamond 0.9437918E-01 Metallicity 0.2231378E+01 Ellipticity 0.1299885E-01 Gb(Abramov) 0.5124285E-01 Vb(Abramov) -0.5314556E-01 Hb(Abramov) -0.1902708E-02 Ex_ueg -0.1296666E-01 Ec_ueg -0.2317363E-02 Delta_ex -0.1605862E-01 Delta_ec 0.5810374E-02 Delta_et -0.6067604E-01 Pxc 0.5595438E+01 Qxc -0.2763784E+01 3,-1 97 3 -1 -2.003174 0.851416 2.979458 Rho 0.1414138E+00 |GRAD(Rho)| 0.1601237E-14 GRAD(Rho)x -0.1164907E-14 GRAD(Rho)y -0.1095884E-14 GRAD(Rho)z 0.7738493E-16 Laplacian 0.5554141E+00 (-1/4)Del**2(Rho)) -0.1388535E+00 Diamond 0.1053906E+01 Metallicity 0.4762291E+01 Ellipticity 0.3590052E-01 Gb(Abramov) 0.2027792E+00 Vb(Abramov) -0.2667048E+00 Hb(Abramov) -0.6392564E-01 Ex_ueg -0.5441360E-01 Ec_ueg -0.7896160E-02 Delta_ex -0.5884862E-01 Delta_ec 0.1440010E-01 Delta_et -0.1902878E+00 Pxc 0.6891147E+01 Qxc -0.4086683E+01 3,-1 98 3 +1 -0.156948 -2.889077 -0.154631 Rho 0.5498035E-02 |GRAD(Rho)| 0.6713823E-16 GRAD(Rho)x -0.2415353E-16 GRAD(Rho)y -0.4674902E-16 GRAD(Rho)z 0.4169746E-16 Laplacian 0.2250715E-01 (-1/4)Del**2(Rho)) -0.5626787E-02 Diamond 0.5857077E-03 Metallicity 0.5243708E+00 Ellipticity -0.3485810E+01 Gb(Abramov) 0.4242945E-02 Vb(Abramov) -0.2859103E-02 Hb(Abramov) 0.1383842E-02 Ex_ueg -0.7166851E-03 Ec_ueg -0.1684078E-03 Delta_ex -0.1131163E-02 Delta_ec 0.6931854E-03 Delta_et -0.3879577E-02 Pxc 0.4255652E+01 Qxc -0.1631834E+01 3,+1 99 3 +3 0.021852 -2.323018 0.036457 Rho 0.4776926E-02 |GRAD(Rho)| 0.1762790E-12 GRAD(Rho)x -0.1669037E-12 GRAD(Rho)y -0.3798829E-13 GRAD(Rho)z -0.4212280E-13 Laplacian 0.1950226E-01 (-1/4)Del**2(Rho)) -0.4875565E-02 Diamond 0.1819594E-03 Metallicity 0.4787503E+00 Ellipticity -0.3339561E+00 Gb(Abramov) 0.3639406E-02 Vb(Abramov) -0.2403248E-02 Hb(Abramov) 0.1236158E-02 Ex_ueg -0.5941778E-03 Ec_ueg -0.1373257E-03 Delta_ex -0.7186261E-03 Delta_ec 0.1810850E-03 Delta_et -0.1145958E-02 Pxc 0.4326778E+01 Qxc -0.3968447E+01 3,+3 100 3 +3 -1.101792 1.099916 -1.129177 Rho 0.5118339E-02 |GRAD(Rho)| 0.7027449E-14 GRAD(Rho)x 0.1176642E-14 GRAD(Rho)y -0.6116626E-14 GRAD(Rho)z 0.3253834E-14 Laplacian 0.1980492E-01 (-1/4)Del**2(Rho)) -0.4951230E-02 Diamond 0.1430841E-03 Metallicity 0.5289182E+00 Ellipticity -0.7740078E-01 Gb(Abramov) 0.3737286E-02 Vb(Abramov) -0.2523342E-02 Hb(Abramov) 0.1213944E-02 Ex_ueg -0.6514640E-03 Ec_ueg -0.1520090E-03 Delta_ex -0.6889554E-03 Delta_ec 0.8768451E-04 Delta_et -0.6956711E-03 Pxc 0.4285695E+01 Qxc -0.7857207E+01 3,+3 101 3 +1 -1.060259 2.161275 1.400456 Rho 0.2748899E-01 |GRAD(Rho)| 0.2191693E-14 GRAD(Rho)x 0.1792829E-14 GRAD(Rho)y -0.3880693E-15 GRAD(Rho)z 0.1199453E-14 Laplacian 0.1102307E+00 (-1/4)Del**2(Rho)) -0.2755768E-01 Diamond 0.1597878E-01 Metallicity 0.1565219E+01 Ellipticity -0.3297807E+01 Gb(Abramov) 0.2556076E-01 Vb(Abramov) -0.2356383E-01 Hb(Abramov) 0.1996925E-02 Ex_ueg -0.6127220E-02 Ec_ueg -0.1214829E-02 Delta_ex -0.6989130E-02 Delta_ec 0.1793434E-02 Delta_et -0.1621227E-01 Pxc 0.5043688E+01 Qxc -0.3897066E+01 3,+1 102 3 +3 -0.023427 0.001699 -2.318885 Rho 0.4663556E-02 |GRAD(Rho)| 0.5067879E-15 GRAD(Rho)x 0.2221118E-15 GRAD(Rho)y 0.2590128E-15 GRAD(Rho)z 0.3747168E-15 Laplacian 0.1902624E-01 (-1/4)Del**2(Rho)) -0.4756561E-02 Diamond 0.1735060E-03 Metallicity 0.4714715E+00 Ellipticity -0.3242695E+00 Gb(Abramov) 0.3544804E-02 Vb(Abramov) -0.2333048E-02 Hb(Abramov) 0.1211756E-02 Ex_ueg -0.5754505E-03 Ec_ueg -0.1324631E-03 Delta_ex -0.6985048E-03 Delta_ec 0.1797291E-03 Delta_et -0.1126619E-02 Pxc 0.4344233E+01 Qxc -0.3886431E+01 3,+3 103 3 -1 -1.818727 -0.557012 2.756969 Rho 0.1376579E+00 |GRAD(Rho)| 0.1325758E-13 GRAD(Rho)x -0.9809888E-14 GRAD(Rho)y 0.8712730E-14 GRAD(Rho)z -0.1902077E-14 Laplacian 0.5779691E+00 (-1/4)Del**2(Rho)) -0.1444923E+00 Diamond 0.1057772E+01 Metallicity 0.4375663E+01 Ellipticity 0.1036540E-01 Gb(Abramov) 0.2017031E+00 Vb(Abramov) -0.2589139E+00 Hb(Abramov) -0.5721082E-01 Ex_ueg -0.5249525E-01 Ec_ueg -0.7658187E-02 Delta_ex -0.6079397E-01 Delta_ec 0.1500259E-01 Delta_et -0.1972733E+00 Pxc 0.6854788E+01 Qxc -0.4052231E+01 3,-1 104 3 +1 -0.183040 -0.163378 -2.900916 Rho 0.5329263E-02 |GRAD(Rho)| 0.3106966E-17 GRAD(Rho)x -0.3008389E-17 GRAD(Rho)y -0.4397825E-19 GRAD(Rho)z 0.7751744E-18 Laplacian 0.2200067E-01 (-1/4)Del**2(Rho)) -0.5500167E-02 Diamond 0.5270786E-03 Metallicity 0.5092791E+00 Ellipticity -0.2432708E+01 Gb(Abramov) 0.4133632E-02 Vb(Abramov) -0.2767096E-02 Hb(Abramov) 0.1366536E-02 Ex_ueg -0.6875030E-03 Ec_ueg -0.1611097E-03 Delta_ex -0.1080240E-02 Delta_ec 0.6441880E-03 Delta_et -0.3585586E-02 Pxc 0.4267296E+01 Qxc -0.1676902E+01 3,+1 105 3 -1 -0.856234 -2.976373 -2.008781 Rho 0.1397276E+00 |GRAD(Rho)| 0.1700390E-12 GRAD(Rho)x 0.1215223E-12 GRAD(Rho)y 0.6400883E-13 GRAD(Rho)z -0.1002421E-12 Laplacian 0.5498887E+00 (-1/4)Del**2(Rho)) -0.1374722E+00 Diamond 0.1028163E+01 Metallicity 0.4714932E+01 Ellipticity 0.3308095E-01 Gb(Abramov) 0.1996768E+00 Vb(Abramov) -0.2618814E+00 Hb(Abramov) -0.6220460E-01 Ex_ueg -0.5355024E-01 Ec_ueg -0.7789212E-02 Delta_ex -0.5808976E-01 Delta_ec 0.1429201E-01 Delta_et -0.1885031E+00 Pxc 0.6874924E+01 Qxc -0.4064491E+01 3,-1 106 3 +1 -1.080145 1.370550 2.164141 Rho 0.2768773E-01 |GRAD(Rho)| 0.5089494E-14 GRAD(Rho)x 0.2557450E-14 GRAD(Rho)y 0.3576197E-14 GRAD(Rho)z 0.2563827E-14 Laplacian 0.1115360E+00 (-1/4)Del**2(Rho)) -0.2788400E-01 Diamond 0.1672019E-01 Metallicity 0.1565586E+01 Ellipticity -0.3684864E+01 Gb(Abramov) 0.2586513E-01 Vb(Abramov) -0.2384627E-01 Hb(Abramov) 0.2018867E-02 Ex_ueg -0.6186354E-02 Ec_ueg -0.1224966E-02 Delta_ex -0.7122721E-02 Delta_ec 0.1880802E-02 Delta_et -0.1702032E-01 Pxc 0.5050224E+01 Qxc -0.3787066E+01 3,+1 107 3 -1 -0.530643 1.724294 1.746598 Rho 0.4155823E-01 |GRAD(Rho)| 0.4067184E-13 GRAD(Rho)x 0.1386537E-13 GRAD(Rho)y 0.2736687E-13 GRAD(Rho)z 0.2670215E-13 Laplacian 0.1755406E+00 (-1/4)Del**2(Rho)) -0.4388514E-01 Diamond 0.7065193E-01 Metallicity 0.1957330E+01 Ellipticity 0.8647686E-02 Gb(Abramov) 0.4357304E-01 Vb(Abramov) -0.4326094E-01 Hb(Abramov) 0.3120989E-03 Ex_ueg -0.1063150E-01 Ec_ueg -0.1953853E-02 Delta_ex -0.1387596E-01 Delta_ec 0.5379831E-02 Delta_et -0.5403865E-01 Pxc 0.5441298E+01 Qxc -0.2579255E+01 3,-1 108 3 -1 -0.851046 1.979944 3.003202 Rho 0.1316198E+00 |GRAD(Rho)| 0.2720008E-13 GRAD(Rho)x 0.2664897E-13 GRAD(Rho)y -0.5060683E-14 GRAD(Rho)z -0.2016487E-14 Laplacian 0.5154043E+00 (-1/4)Del**2(Rho)) -0.1288511E+00 Diamond 0.8853129E+00 Metallicity 0.4553383E+01 Ellipticity 0.4852853E-01 Gb(Abramov) 0.1836854E+00 Vb(Abramov) -0.2385197E+00 Hb(Abramov) -0.5483434E-01 Ex_ueg -0.4944779E-01 Ec_ueg -0.7277518E-02 Delta_ex -0.5352697E-01 Delta_ec 0.1334457E-01 Delta_et -0.1738979E+00 Pxc 0.6794595E+01 Qxc -0.4011142E+01 3,-1 109 3 +1 2.174436 1.261021 -1.190876 Rho 0.2932501E-01 |GRAD(Rho)| 0.8076204E-16 GRAD(Rho)x 0.7007982E-16 GRAD(Rho)y 0.4001622E-16 GRAD(Rho)z -0.3166678E-17 Laplacian 0.1203775E+00 (-1/4)Del**2(Rho)) -0.3009438E-01 Diamond 0.2116297E-01 Metallicity 0.1596362E+01 Ellipticity -0.7976738E+01 Gb(Abramov) 0.2806984E-01 Vb(Abramov) -0.2604530E-01 Hb(Abramov) 0.2024540E-02 Ex_ueg -0.6678863E-02 Ec_ueg -0.1308843E-02 Delta_ex -0.7950460E-02 Delta_ec 0.2285459E-02 Delta_et -0.2093959E-01 Pxc 0.5102876E+01 Qxc -0.3478715E+01 3,+1 110 3 -1 -0.043474 -2.898569 -0.038827 Rho 0.5511664E-02 |GRAD(Rho)| 0.8622249E-17 GRAD(Rho)x 0.7214618E-17 GRAD(Rho)y -0.3982082E-18 GRAD(Rho)z -0.4704667E-17 Laplacian 0.2207111E-01 (-1/4)Del**2(Rho)) -0.5517778E-02 Diamond 0.6677039E-03 Metallicity 0.5369413E+00 Ellipticity 0.3126735E+01 Gb(Abramov) 0.4172306E-02 Vb(Abramov) -0.2826834E-02 Hb(Abramov) 0.1345472E-02 Ex_ueg -0.7190548E-03 Ec_ueg -0.1689978E-03 Delta_ex -0.1184344E-02 Delta_ec 0.8128651E-03 Delta_et -0.4498398E-02 Pxc 0.4254818E+01 Qxc -0.1457000E+01 3,-1 111 3 -1 -0.549125 -2.775844 1.834315 Rho 0.1206384E+00 |GRAD(Rho)| 0.5164875E-16 GRAD(Rho)x -0.2818248E-16 GRAD(Rho)y -0.3843158E-16 GRAD(Rho)z 0.1990866E-16 Laplacian 0.5048344E+00 (-1/4)Del**2(Rho)) -0.1262086E+00 Diamond 0.7789738E+00 Metallicity 0.4020440E+01 Ellipticity 0.4254050E-02 Gb(Abramov) 0.1687081E+00 Vb(Abramov) -0.2112076E+00 Hb(Abramov) -0.4249950E-01 Ex_ueg -0.4402499E-01 Ec_ueg -0.6591397E-02 Delta_ex -0.5131502E-01 Delta_ec 0.1329777E-01 Delta_et -0.1707414E+00 Pxc 0.6679160E+01 Qxc -0.3858920E+01 3,-1 112 3 +1 1.667726 -0.533273 -0.528922 Rho 0.9095852E-02 |GRAD(Rho)| 0.1959690E-16 GRAD(Rho)x -0.1256749E-16 GRAD(Rho)y 0.9525038E-17 GRAD(Rho)z 0.1163487E-16 Laplacian 0.3540109E-01 (-1/4)Del**2(Rho)) -0.8850271E-02 Diamond 0.1008114E-02 Metallicity 0.7714993E+00 Ellipticity -0.1455226E+01 Gb(Abramov) 0.7038177E-02 Vb(Abramov) -0.5226083E-02 Hb(Abramov) 0.1812094E-02 Ex_ueg -0.1402306E-02 Ec_ueg -0.3272201E-03 Delta_ex -0.1634365E-02 Delta_ec 0.4873187E-03 Delta_et -0.3387710E-02 Pxc 0.4285514E+01 Qxc -0.3353791E+01 3,+1 113 3 -1 -0.861250 -1.964517 -3.004825 Rho 0.1478980E+00 |GRAD(Rho)| 0.6995587E-13 GRAD(Rho)x -0.4536406E-13 GRAD(Rho)y -0.5125254E-13 GRAD(Rho)z 0.1446038E-13 Laplacian 0.5811178E+00 (-1/4)Del**2(Rho)) -0.1452794E+00 Diamond 0.1162136E+01 Metallicity 0.4904778E+01 Ellipticity 0.4405009E-01 Gb(Abramov) 0.2156135E+00 Vb(Abramov) -0.2859476E+00 Hb(Abramov) -0.7033409E-01 Ex_ueg -0.5776543E-01 Ec_ueg -0.8309090E-02 Delta_ex -0.6223424E-01 Delta_ec 0.1487379E-01 Delta_et -0.1977836E+00 Pxc 0.6952077E+01 Qxc -0.4184155E+01 3,-1 114 3 -1 -0.002215 -0.005893 2.898784 Rho 0.5362724E-02 |GRAD(Rho)| 0.1349396E-12 GRAD(Rho)x 0.1955025E-13 GRAD(Rho)y 0.1307014E-12 GRAD(Rho)z -0.2726958E-13 Laplacian 0.2151077E-01 (-1/4)Del**2(Rho)) -0.5377692E-02 Diamond 0.6412230E-03 Metallicity 0.5263399E+00 Ellipticity 0.2573583E+01 Gb(Abramov) 0.4056877E-02 Vb(Abramov) -0.2736062E-02 Hb(Abramov) 0.1320815E-02 Ex_ueg -0.6932645E-03 Ec_ueg -0.1625555E-03 Delta_ex -0.1160289E-02 Delta_ec 0.8133506E-03 Delta_et -0.4456471E-02 Pxc 0.4264786E+01 Qxc -0.1426554E+01 3,-1 115 3 -1 0.530218 1.714266 -1.760220 Rho 0.4216158E-01 |GRAD(Rho)| 0.1182638E-15 GRAD(Rho)x -0.3661152E-16 GRAD(Rho)y 0.6953611E-16 GRAD(Rho)z -0.8837794E-16 Laplacian 0.1782922E+00 (-1/4)Del**2(Rho)) -0.4457305E-01 Diamond 0.7327416E-01 Metallicity 0.1973978E+01 Ellipticity 0.9172460E-02 Gb(Abramov) 0.4437973E-01 Vb(Abramov) -0.4418642E-01 Hb(Abramov) 0.1933116E-03 Ex_ueg -0.1083779E-01 Ec_ueg -0.1986411E-02 Delta_ex -0.1414890E-01 Delta_ec 0.5472834E-02 Delta_et -0.5518835E-01 Pxc 0.5455967E+01 Qxc -0.2585296E+01 3,-1 116 3 -1 -0.557166 2.761752 -1.838353 Rho 0.1218763E+00 |GRAD(Rho)| 0.2333063E-15 GRAD(Rho)x -0.1512055E-15 GRAD(Rho)y 0.1063636E-15 GRAD(Rho)z 0.1423219E-15 Laplacian 0.5095776E+00 (-1/4)Del**2(Rho)) -0.1273944E+00 Diamond 0.7965863E+00 Metallicity 0.4051365E+01 Ellipticity 0.2611308E-02 Gb(Abramov) 0.1709498E+00 Vb(Abramov) -0.2145052E+00 Hb(Abramov) -0.4355539E-01 Ex_ueg -0.4462832E-01 Ec_ueg -0.6668326E-02 Delta_ex -0.5193168E-01 Delta_ec 0.1340412E-01 Delta_et -0.1724289E+00 Pxc 0.6692582E+01 Qxc -0.3874306E+01 3,-1 117 3 -1 -0.840830 2.980379 2.019466 Rho 0.1253588E+00 |GRAD(Rho)| 0.1799388E-15 GRAD(Rho)x 0.1748073E-15 GRAD(Rho)y 0.3394230E-16 GRAD(Rho)z 0.2585145E-16 Laplacian 0.4900868E+00 (-1/4)Del**2(Rho)) -0.1225217E+00 Diamond 0.7942684E+00 Metallicity 0.4415008E+01 Ellipticity 0.4057800E-01 Gb(Abramov) 0.1718368E+00 Vb(Abramov) -0.2211520E+00 Hb(Abramov) -0.4931515E-01 Ex_ueg -0.4633667E-01 Ec_ueg -0.6885327E-02 Delta_ex -0.5030675E-01 Delta_ec 0.1284541E-01 Delta_et -0.1660924E+00 Pxc 0.6729770E+01 Qxc -0.3916320E+01 3,-1 118 3 -1 -0.008485 2.899534 0.014950 Rho 0.5371566E-02 |GRAD(Rho)| 0.9397343E-17 GRAD(Rho)x 0.9414481E-18 GRAD(Rho)y -0.7043156E-19 GRAD(Rho)z 0.9349800E-17 Laplacian 0.2148868E-01 (-1/4)Del**2(Rho)) -0.5372169E-02 Diamond 0.6378750E-03 Metallicity 0.5283296E+00 Ellipticity 0.2799888E+01 Gb(Abramov) 0.4054492E-02 Vb(Abramov) -0.2736815E-02 Hb(Abramov) 0.1317677E-02 Ex_ueg -0.6947889E-03 Ec_ueg -0.1629377E-03 Delta_ex -0.1155978E-02 Delta_ec 0.8063247E-03 Delta_et -0.4422263E-02 Pxc 0.4264140E+01 Qxc -0.1433638E+01 3,-1 119 3 -1 -0.471936 0.466709 0.466541 Rho 0.1876931E+00 |GRAD(Rho)| 0.9244628E-16 GRAD(Rho)x -0.6938894E-17 GRAD(Rho)y -0.3122502E-16 GRAD(Rho)z -0.8673617E-16 Laplacian 0.5206736E+00 (-1/4)Del**2(Rho)) -0.1301684E+00 Diamond 0.1409305E+01 Metallicity 0.8143195E+01 Ellipticity 0.2837267E-02 Gb(Abramov) 0.2634434E+00 Vb(Abramov) -0.3967184E+00 Hb(Abramov) -0.1332750E+00 Ex_ueg -0.7936875E-01 Ec_ueg -0.1089869E-01 Delta_ex -0.5933910E-01 Delta_ec 0.1284158E-01 Delta_et -0.1767235E+00 Pxc 0.7282414E+01 Qxc -0.4620857E+01 3,-1 120 3 +1 0.187766 -2.900023 0.198372 Rho 0.5418784E-02 |GRAD(Rho)| 0.1071934E-14 GRAD(Rho)x 0.8095229E-15 GRAD(Rho)y -0.9140996E-16 GRAD(Rho)z 0.6966775E-15 Laplacian 0.2250773E-01 (-1/4)Del**2(Rho)) -0.5626933E-02 Diamond 0.5334542E-03 Metallicity 0.5118208E+00 Ellipticity -0.2165405E+01 Gb(Abramov) 0.4231285E-02 Vb(Abramov) -0.2835638E-02 Hb(Abramov) 0.1395647E-02 Ex_ueg -0.7029443E-03 Ec_ueg -0.1649791E-03 Delta_ex -0.1093813E-02 Delta_ec 0.6322339E-03 Delta_et -0.3548074E-02 Pxc 0.4260808E+01 Qxc -0.1730076E+01 3,+1 121 3 -1 -0.533371 -1.720332 -1.733555 Rho 0.4926709E-01 |GRAD(Rho)| 0.1781192E-16 GRAD(Rho)x -0.9711868E-17 GRAD(Rho)y 0.5707732E-17 GRAD(Rho)z 0.1379732E-16 Laplacian 0.2022532E+00 (-1/4)Del**2(Rho)) -0.5056330E-01 Diamond 0.9972026E-01 Metallicity 0.2255862E+01 Ellipticity 0.1150319E-01 Gb(Abramov) 0.5271950E-01 Vb(Abramov) -0.5487571E-01 Hb(Abramov) -0.2156208E-02 Ex_ueg -0.1333913E-01 Ec_ueg -0.2374401E-02 Delta_ex -0.1655237E-01 Delta_ec 0.5966599E-02 Delta_et -0.6265777E-01 Pxc 0.5617893E+01 Qxc -0.2774172E+01 3,-1 122 3 -1 -0.561724 -1.804117 2.786889 Rho 0.1336845E+00 |GRAD(Rho)| 0.8634432E-12 GRAD(Rho)x -0.5728613E-12 GRAD(Rho)y 0.6263745E-12 GRAD(Rho)z 0.1581745E-12 Laplacian 0.5629404E+00 (-1/4)Del**2(Rho)) -0.1407351E+00 Diamond 0.9784211E+00 Metallicity 0.4278445E+01 Ellipticity 0.1501568E-01 Gb(Abramov) 0.1941779E+00 Vb(Abramov) -0.2476208E+00 Hb(Abramov) -0.5344286E-01 Ex_ueg -0.5048471E-01 Ec_ueg -0.7407418E-02 Delta_ex -0.5860581E-01 Delta_ec 0.1437972E-01 Delta_et -0.1875675E+00 Pxc 0.6815426E+01 Qxc -0.4075587E+01 3,-1 123 3 -1 -0.572725 1.796077 -2.803717 Rho 0.1451216E+00 |GRAD(Rho)| 0.2042787E-15 GRAD(Rho)x 0.1990866E-15 GRAD(Rho)y -0.4324611E-16 GRAD(Rho)z -0.1496877E-16 Laplacian 0.6076961E+00 (-1/4)Del**2(Rho)) -0.1519240E+00 Diamond 0.1161419E+01 Metallicity 0.4544436E+01 Ellipticity 0.2500238E-01 Gb(Abramov) 0.2163508E+00 Vb(Abramov) -0.2807776E+00 Hb(Abramov) -0.6442682E-01 Ex_ueg -0.5632411E-01 Ec_ueg -0.8131958E-02 Delta_ex -0.6450337E-01 Delta_ec 0.1513391E-01 Delta_et -0.1996151E+00 Pxc 0.6926266E+01 Qxc -0.4262174E+01 3,-1 124 3 +1 1.048762 2.160628 -1.415543 Rho 0.2751811E-01 |GRAD(Rho)| 0.2535585E-15 GRAD(Rho)x -0.2491326E-15 GRAD(Rho)y 0.3717097E-16 GRAD(Rho)z 0.2903741E-16 Laplacian 0.1100830E+00 (-1/4)Del**2(Rho)) -0.2752076E-01 Diamond 0.1563197E-01 Metallicity 0.1570087E+01 Ellipticity -0.3026256E+01 Gb(Abramov) 0.2554884E-01 Vb(Abramov) -0.2357692E-01 Hb(Abramov) 0.1971922E-02 Ex_ueg -0.6135875E-02 Ec_ueg -0.1216314E-02 Delta_ex -0.6948441E-02 Delta_ec 0.1731535E-02 Delta_et -0.1566659E-01 Pxc 0.5044647E+01 Qxc -0.4012880E+01 3,+1 125 3 +1 0.531788 -0.536756 -1.653805 Rho 0.9110223E-02 |GRAD(Rho)| 0.1652674E-16 GRAD(Rho)x 0.2030176E-17 GRAD(Rho)y -0.1482318E-16 GRAD(Rho)z -0.7020315E-17 Laplacian 0.3550176E-01 (-1/4)Del**2(Rho)) -0.8875440E-02 Diamond 0.1017732E-02 Metallicity 0.7713384E+00 Ellipticity -0.1459890E+01 Gb(Abramov) 0.7057955E-02 Vb(Abramov) -0.5240470E-02 Hb(Abramov) 0.1817485E-02 Ex_ueg -0.1405261E-02 Ec_ueg -0.3278663E-03 Delta_ex -0.1641581E-02 Delta_ec 0.4921098E-03 Delta_et -0.3419616E-02 Pxc 0.4286080E+01 Qxc -0.3335803E+01 3,+1 126 3 +3 1.090012 1.116836 1.121986 Rho 0.5251864E-02 |GRAD(Rho)| 0.4939770E-17 GRAD(Rho)x 0.3153368E-17 GRAD(Rho)y 0.1675974E-17 GRAD(Rho)z 0.3413020E-17 Laplacian 0.2040175E-01 (-1/4)Del**2(Rho)) -0.5100437E-02 Diamond 0.1509567E-03 Metallicity 0.5359631E+00 Ellipticity -0.5321842E-01 Gb(Abramov) 0.3855899E-02 Vb(Abramov) -0.2611361E-02 Hb(Abramov) 0.1244538E-02 Ex_ueg -0.6742222E-03 Ec_ueg -0.1577676E-03 Delta_ex -0.7133110E-03 Delta_ec 0.8763161E-04 Delta_et -0.7060090E-03 Pxc 0.4273515E+01 Qxc -0.8139882E+01 3,+3 127 3 +3 1.114556 -1.106903 -1.106425 Rho 0.5395761E-02 |GRAD(Rho)| 0.4339873E-17 GRAD(Rho)x 0.2868694E-17 GRAD(Rho)y -0.3235818E-17 GRAD(Rho)z 0.3668447E-18 Laplacian 0.2104056E-01 (-1/4)Del**2(Rho)) -0.5260140E-02 Diamond 0.1595428E-03 Metallicity 0.5436386E+00 Ellipticity -0.2656985E-01 Gb(Abramov) 0.3983363E-02 Vb(Abramov) -0.2706585E-02 Hb(Abramov) 0.1276778E-02 Ex_ueg -0.6989648E-03 Ec_ueg -0.1639836E-03 Delta_ex -0.7395235E-03 Delta_ec 0.8734589E-04 Delta_et -0.7157591E-03 Pxc 0.4262408E+01 Qxc -0.8466609E+01 3,+3 128 3 +1 0.542143 -1.658328 -0.521360 Rho 0.9164981E-02 |GRAD(Rho)| 0.1045663E-16 GRAD(Rho)x -0.5412067E-17 GRAD(Rho)y 0.3135782E-17 GRAD(Rho)z -0.8379584E-17 Laplacian 0.3571349E-01 (-1/4)Del**2(Rho)) -0.8928373E-02 Diamond 0.1030004E-02 Metallicity 0.7744620E+00 Ellipticity -0.1459876E+01 Gb(Abramov) 0.7104697E-02 Vb(Abramov) -0.5281020E-02 Hb(Abramov) 0.1823677E-02 Ex_ueg -0.1416535E-02 Ec_ueg -0.3303293E-03 Delta_ex -0.1652987E-02 Delta_ec 0.4934167E-03 Delta_et -0.3435257E-02 Pxc 0.4288250E+01 Qxc -0.3350083E+01 3,+1 129 3 +1 0.172101 -0.182415 2.893191 Rho 0.5319080E-02 |GRAD(Rho)| 0.1924276E-14 GRAD(Rho)x 0.1330971E-14 GRAD(Rho)y -0.1384555E-14 GRAD(Rho)z 0.1198403E-15 Laplacian 0.2202470E-01 (-1/4)Del**2(Rho)) -0.5506176E-02 Diamond 0.5323690E-03 Metallicity 0.5071044E+00 Ellipticity -0.2544889E+01 Gb(Abramov) 0.4136151E-02 Vb(Abramov) -0.2766127E-02 Hb(Abramov) 0.1370024E-02 Ex_ueg -0.6857521E-03 Ec_ueg -0.1606699E-03 Delta_ex -0.1086198E-02 Delta_ec 0.6541593E-03 Delta_et -0.3635015E-02 Pxc 0.4268081E+01 Qxc -0.1660449E+01 3,+1 130 3 +1 0.529919 1.660979 0.540666 Rho 0.8750487E-02 |GRAD(Rho)| 0.9976418E-16 GRAD(Rho)x 0.2469714E-16 GRAD(Rho)y -0.3130830E-16 GRAD(Rho)z -0.9144798E-16 Laplacian 0.3387290E-01 (-1/4)Del**2(Rho)) -0.8468225E-02 Diamond 0.9356827E-03 Metallicity 0.7559292E+00 Ellipticity -0.1471157E+01 Gb(Abramov) 0.6712380E-02 Vb(Abramov) -0.4956535E-02 Hb(Abramov) 0.1755845E-02 Ex_ueg -0.1331766E-02 Ec_ueg -0.3117183E-03 Delta_ex -0.1557569E-02 Delta_ec 0.4825513E-03 Delta_et -0.3308182E-02 Pxc 0.4272339E+01 Qxc -0.3227779E+01 3,+1 131 3 -1 -0.464924 -0.481480 -0.467816 Rho 0.1872814E+00 |GRAD(Rho)| 0.4989253E-15 GRAD(Rho)x 0.4163336E-15 GRAD(Rho)y 0.2706169E-15 GRAD(Rho)z 0.4857226E-16 Laplacian 0.5192646E+00 (-1/4)Del**2(Rho)) -0.1298161E+00 Diamond 0.1400982E+01 Metallicity 0.8135461E+01 Ellipticity 0.3039305E-02 Gb(Abramov) 0.2625631E+00 Vb(Abramov) -0.3953101E+00 Hb(Abramov) -0.1327470E+00 Ex_ueg -0.7913669E-01 Ec_ueg -0.1087142E-01 Delta_ex -0.5913985E-01 Delta_ec 0.1280356E-01 Delta_et -0.1761266E+00 Pxc 0.7279331E+01 Qxc -0.4619015E+01 3,-1 132 3 -1 0.543920 -1.724541 1.755239 Rho 0.4218892E-01 |GRAD(Rho)| 0.8456751E-14 GRAD(Rho)x 0.5396440E-14 GRAD(Rho)y 0.2331220E-14 GRAD(Rho)z 0.6079514E-14 Laplacian 0.1787615E+00 (-1/4)Del**2(Rho)) -0.4469037E-01 Diamond 0.7342144E-01 Metallicity 0.1970924E+01 Ellipticity 0.8862051E-02 Gb(Abramov) 0.4447380E-01 Vb(Abramov) -0.4425723E-01 Hb(Abramov) 0.2165704E-03 Ex_ueg -0.1084716E-01 Ec_ueg -0.1987888E-02 Delta_ex -0.1418245E-01 Delta_ec 0.5476568E-02 Delta_et -0.5523409E-01 Pxc 0.5456628E+01 Qxc -0.2589660E+01 3,-1 133 3 -1 0.060466 -3.166344 -3.225147 Rho 0.2526152E+00 |GRAD(Rho)| 0.1639231E-10 GRAD(Rho)x 0.3119836E-11 GRAD(Rho)y -0.1131182E-10 GRAD(Rho)z -0.1144628E-10 Laplacian 0.9216344E+00 (-1/4)Del**2(Rho)) -0.2304086E+00 Diamond 0.3450111E+01 Metallicity 0.7547797E+01 Ellipticity 0.1251993E-02 Gb(Abramov) 0.4434520E+00 Vb(Abramov) -0.6564953E+00 Hb(Abramov) -0.2130434E+00 Ex_ueg -0.1179409E+00 Ec_ueg -0.1531552E-01 Delta_ex -0.1127729E+00 Delta_ec 0.1989975E-01 Delta_et -0.2753248E+00 Pxc 0.7700742E+01 Qxc -0.5667052E+01 3,-1 134 3 -1 -0.059040 -3.177269 3.236203 Rho 0.2426134E+00 |GRAD(Rho)| 0.6256560E-10 GRAD(Rho)x -0.1192575E-10 GRAD(Rho)y -0.4331729E-10 GRAD(Rho)z 0.4354128E-10 Laplacian 0.8633180E+00 (-1/4)Del**2(Rho)) -0.2158295E+00 Diamond 0.3110498E+01 Metallicity 0.7532984E+01 Ellipticity 0.9669378E-03 Gb(Abramov) 0.4148597E+00 Vb(Abramov) -0.6138898E+00 Hb(Abramov) -0.1990302E+00 Ex_ueg -0.1117562E+00 Ec_ueg -0.1461996E-01 Delta_ex -0.1046919E+00 Delta_ec 0.1917053E-01 Delta_et -0.2663572E+00 Pxc 0.7644082E+01 Qxc -0.5461082E+01 3,-1 135 3 +1 0.167888 0.182442 -2.891030 Rho 0.5352159E-02 |GRAD(Rho)| 0.1436042E-16 GRAD(Rho)x 0.1061337E-16 GRAD(Rho)y -0.9654147E-17 GRAD(Rho)z 0.6129298E-18 Laplacian 0.2213241E-01 (-1/4)Del**2(Rho)) -0.5533102E-02 Diamond 0.5470898E-03 Metallicity 0.5098779E+00 Ellipticity -0.2771655E+01 Gb(Abramov) 0.4158936E-02 Vb(Abramov) -0.2784769E-02 Hb(Abramov) 0.1374166E-02 Ex_ueg -0.6914441E-03 Ec_ueg -0.1620990E-03 Delta_ex -0.1099332E-02 Delta_ec 0.6689203E-03 Delta_et -0.3718997E-02 Pxc 0.4265567E+01 Qxc -0.1643442E+01 3,+1 136 3 +1 0.523710 0.543394 1.668555 Rho 0.8723408E-02 |GRAD(Rho)| 0.3946108E-14 GRAD(Rho)x -0.3969518E-15 GRAD(Rho)y -0.2977180E-14 GRAD(Rho)z -0.2559413E-14 Laplacian 0.3382979E-01 (-1/4)Del**2(Rho)) -0.8457446E-02 Diamond 0.9289072E-03 Metallicity 0.7529929E+00 Ellipticity -0.1465627E+01 Gb(Abramov) 0.6699697E-02 Vb(Abramov) -0.4941948E-02 Hb(Abramov) 0.1757749E-02 Ex_ueg -0.1326274E-02 Ec_ueg -0.3105051E-03 Delta_ex -0.1553640E-02 Delta_ec 0.4806384E-03 Delta_et -0.3293475E-02 Pxc 0.4271344E+01 Qxc -0.3232450E+01 3,+1 137 3 +1 1.661542 0.536607 0.524135 Rho 0.9150637E-02 |GRAD(Rho)| 0.7192177E-17 GRAD(Rho)x -0.2341398E-17 GRAD(Rho)y 0.2861426E-17 GRAD(Rho)z -0.6169077E-17 Laplacian 0.3575811E-01 (-1/4)Del**2(Rho)) -0.8939526E-02 Diamond 0.1031502E-02 Metallicity 0.7714791E+00 Ellipticity -0.1458647E+01 Gb(Abramov) 0.7109127E-02 Vb(Abramov) -0.5278728E-02 Hb(Abramov) 0.1830399E-02 Ex_ueg -0.1413579E-02 Ec_ueg -0.3296839E-03 Delta_ex -0.1655391E-02 Delta_ec 0.4958205E-03 Delta_et -0.3449166E-02 Pxc 0.4287680E+01 Qxc -0.3338690E+01 3,+1 138 3 -1 0.568217 1.796300 2.796951 Rho 0.1343612E+00 |GRAD(Rho)| 0.3680998E-15 GRAD(Rho)x -0.1311885E-16 GRAD(Rho)y -0.3595621E-15 GRAD(Rho)z -0.7772036E-16 Laplacian 0.5652553E+00 (-1/4)Del**2(Rho)) -0.1413138E+00 Diamond 0.9881981E+00 Metallicity 0.4296933E+01 Ellipticity 0.1430119E-01 Gb(Abramov) 0.1954119E+00 Vb(Abramov) -0.2495099E+00 Hb(Abramov) -0.5409806E-01 Ex_ueg -0.5082574E-01 Ec_ueg -0.7450055E-02 Delta_ex -0.5891653E-01 Delta_ec 0.1441651E-01 Delta_et -0.1881834E+00 Pxc 0.6822197E+01 Qxc -0.4086739E+01 3,-1 139 3 -1 0.562904 -1.779615 -2.781047 Rho 0.1422220E+00 |GRAD(Rho)| 0.5513831E-15 GRAD(Rho)x -0.4568692E-15 GRAD(Rho)y -0.2656431E-15 GRAD(Rho)z 0.1572500E-15 Laplacian 0.6000185E+00 (-1/4)Del**2(Rho)) -0.1500046E+00 Diamond 0.1140059E+01 Metallicity 0.4450340E+01 Ellipticity 0.8734360E-02 Gb(Abramov) 0.2112650E+00 Vb(Abramov) -0.2725254E+00 Hb(Abramov) -0.6126038E-01 Ex_ueg -0.5482863E-01 Ec_ueg -0.7947484E-02 Delta_ex -0.6359555E-01 Delta_ec 0.1541458E-01 Delta_et -0.2036130E+00 Pxc 0.6898867E+01 Qxc -0.4125675E+01 3,-1 140 3 +1 1.741497 -1.734591 -1.736630 Rho 0.1237634E-01 |GRAD(Rho)| 0.1250910E-16 GRAD(Rho)x -0.9700198E-17 GRAD(Rho)y -0.4747124E-17 GRAD(Rho)z 0.6312570E-17 Laplacian 0.6255160E-01 (-1/4)Del**2(Rho)) -0.1563790E-01 Diamond 0.2596160E-02 Metallicity 0.7295056E+00 Ellipticity -0.1241065E+01 Gb(Abramov) 0.1232659E-01 Vb(Abramov) -0.9015278E-02 Hb(Abramov) 0.3311311E-02 Ex_ueg -0.2114340E-02 Ec_ueg -0.4769701E-03 Delta_ex -0.3094666E-02 Delta_ec 0.8026376E-03 Delta_et -0.6071018E-02 Pxc 0.4432857E+01 Qxc -0.3855620E+01 3,+1 141 3 -1 0.860893 -1.985086 3.010813 Rho 0.1384196E+00 |GRAD(Rho)| 0.1445056E-15 GRAD(Rho)x -0.3894996E-16 GRAD(Rho)y -0.1391031E-15 GRAD(Rho)z -0.3882799E-17 Laplacian 0.5424135E+00 (-1/4)Del**2(Rho)) -0.1356034E+00 Diamond 0.9889448E+00 Metallicity 0.4705570E+01 Ellipticity 0.5671262E-01 Gb(Abramov) 0.1967508E+00 Vb(Abramov) -0.2578982E+00 Hb(Abramov) -0.6114740E-01 Ex_ueg -0.5288291E-01 Ec_ueg -0.7706377E-02 Delta_ex -0.5701575E-01 Delta_ec 0.1385579E-01 Delta_et -0.1819283E+00 Pxc 0.6862227E+01 Qxc -0.4114942E+01 3,-1 142 3 +1 1.074759 -2.163749 1.394324 Rho 0.2772422E-01 |GRAD(Rho)| 0.3384279E-14 GRAD(Rho)x -0.1116341E-14 GRAD(Rho)y -0.2329600E-14 GRAD(Rho)z 0.2186343E-14 Laplacian 0.1114931E+00 (-1/4)Del**2(Rho)) -0.2787327E-01 Diamond 0.1655797E-01 Metallicity 0.1569631E+01 Ellipticity -0.3501593E+01 Gb(Abramov) 0.2587397E-01 Vb(Abramov) -0.2387467E-01 Hb(Abramov) 0.1999300E-02 Ex_ueg -0.6197229E-02 Ec_ueg -0.1226829E-02 Delta_ex -0.7104892E-02 Delta_ec 0.1848634E-02 Delta_et -0.1673939E-01 Pxc 0.5051421E+01 Qxc -0.3843321E+01 3,+1 143 3 -1 0.475929 0.466032 -0.472241 Rho 0.1874387E+00 |GRAD(Rho)| 0.6691357E-15 GRAD(Rho)x -0.2914335E-15 GRAD(Rho)y -0.1040834E-15 GRAD(Rho)z 0.5932754E-15 Laplacian 0.5197033E+00 (-1/4)Del**2(Rho)) -0.1299258E+00 Diamond 0.1403430E+01 Metallicity 0.8139979E+01 Ellipticity 0.2090220E-02 Gb(Abramov) 0.2628828E+00 Vb(Abramov) -0.3958398E+00 Hb(Abramov) -0.1329570E+00 Ex_ueg -0.7922536E-01 Ec_ueg -0.1088184E-01 Delta_ex -0.5920121E-01 Delta_ec 0.1280955E-01 Delta_et -0.1762185E+00 Pxc 0.7280510E+01 Qxc -0.4621647E+01 3,-1 144 3 +1 2.176118 -1.270756 1.188984 Rho 0.2963652E-01 |GRAD(Rho)| 0.5522240E-16 GRAD(Rho)x 0.4167490E-16 GRAD(Rho)y -0.3437602E-16 GRAD(Rho)z -0.1144577E-16 Laplacian 0.1219949E+00 (-1/4)Del**2(Rho)) -0.3049872E-01 Diamond 0.2178810E-01 Metallicity 0.1603185E+01 Ellipticity -0.8298118E+01 Gb(Abramov) 0.2848166E-01 Vb(Abramov) -0.2646461E-01 Hb(Abramov) 0.2017059E-02 Ex_ueg -0.6773629E-02 Ec_ueg -0.1324874E-02 Delta_ex -0.8082225E-02 Delta_ec 0.2320322E-02 Delta_et -0.2131432E-01 Pxc 0.5112659E+01 Qxc -0.3483235E+01 3,+1 145 3 -1 0.847652 -2.984102 2.017108 Rho 0.1276782E+00 |GRAD(Rho)| 0.2083747E-13 GRAD(Rho)x -0.1462451E-13 GRAD(Rho)y 0.6504610E-14 GRAD(Rho)z 0.1334218E-13 Laplacian 0.4980551E+00 (-1/4)Del**2(Rho)) -0.1245138E+00 Diamond 0.8255414E+00 Metallicity 0.4479164E+01 Ellipticity 0.4167239E-01 Gb(Abramov) 0.1759621E+00 Vb(Abramov) -0.2274105E+00 Hb(Abramov) -0.5144834E-01 Ex_ueg -0.4748328E-01 Ec_ueg -0.7030308E-02 Delta_ex -0.5135551E-01 Delta_ec 0.1300569E-01 Delta_et -0.1686870E+00 Pxc 0.6754082E+01 Qxc -0.3948697E+01 3,-1 146 3 -1 0.551370 -2.756428 -1.816095 Rho 0.1354935E+00 |GRAD(Rho)| 0.2992136E-15 GRAD(Rho)x 0.2455447E-15 GRAD(Rho)y -0.7354279E-16 GRAD(Rho)z 0.1543633E-15 Laplacian 0.5703424E+00 (-1/4)Del**2(Rho)) -0.1425856E+00 Diamond 0.1024620E+01 Metallicity 0.4318585E+01 Ellipticity 0.8323322E-02 Gb(Abramov) 0.1976850E+00 Vb(Abramov) -0.2527845E+00 Hb(Abramov) -0.5509946E-01 Ex_ueg -0.5139760E-01 Ec_ueg -0.7521457E-02 Delta_ex -0.5976712E-01 Delta_ec 0.1487148E-01 Delta_et -0.1950893E+00 Pxc 0.6833463E+01 Qxc -0.4018907E+01 3,-1 147 3 -1 0.859349 1.978154 -3.012268 Rho 0.1357427E+00 |GRAD(Rho)| 0.2625303E-15 GRAD(Rho)x 0.1901555E-15 GRAD(Rho)y -0.8327350E-16 GRAD(Rho)z -0.1607126E-15 Laplacian 0.5309728E+00 (-1/4)Del**2(Rho)) -0.1327432E+00 Diamond 0.9463784E+00 Metallicity 0.4653018E+01 Ellipticity 0.5368115E-01 Gb(Abramov) 0.1914382E+00 Vb(Abramov) -0.2501333E+00 Hb(Abramov) -0.5869502E-01 Ex_ueg -0.5152367E-01 Ec_ueg -0.7537183E-02 Delta_ex -0.5555680E-01 Delta_ec 0.1364329E-01 Delta_et -0.1786406E+00 Pxc 0.6835932E+01 Qxc -0.4072098E+01 3,-1 148 3 +1 1.730811 1.742679 1.755049 Rho 0.1224367E-01 |GRAD(Rho)| 0.7100696E-16 GRAD(Rho)x 0.2102334E-16 GRAD(Rho)y -0.5868140E-16 GRAD(Rho)z 0.3400736E-16 Laplacian 0.6187726E-01 (-1/4)Del**2(Rho)) -0.1546932E-01 Diamond 0.2542482E-02 Metallicity 0.7243274E+00 Ellipticity -0.1245166E+01 Gb(Abramov) 0.1218035E-01 Vb(Abramov) -0.8891388E-02 Hb(Abramov) 0.3288964E-02 Ex_ueg -0.2084174E-02 Ec_ueg -0.4708294E-03 Delta_ex -0.3055961E-02 Delta_ec 0.8000183E-03 Delta_et -0.6030736E-02 Pxc 0.4426601E+01 Qxc -0.3819864E+01 3,+1 149 3 +1 2.884399 0.172820 -0.166260 Rho 0.5484942E-02 |GRAD(Rho)| 0.1129090E-14 GRAD(Rho)x 0.5690180E-16 GRAD(Rho)y 0.7749911E-15 GRAD(Rho)z -0.8191426E-15 Laplacian 0.2262144E-01 (-1/4)Del**2(Rho)) -0.5655359E-02 Diamond 0.5619784E-03 Metallicity 0.5196525E+00 Ellipticity -0.2563329E+01 Gb(Abramov) 0.4260043E-02 Vb(Abramov) -0.2864727E-02 Hb(Abramov) 0.1395316E-02 Ex_ueg -0.7144103E-03 Ec_ueg -0.1678411E-03 Delta_ex -0.1116003E-02 Delta_ec 0.6603375E-03 Delta_et -0.3707965E-02 Pxc 0.4256467E+01 Qxc -0.1690050E+01 3,+1 150 3 -1 0.836099 2.971476 -2.019936 Rho 0.1183331E+00 |GRAD(Rho)| 0.3067527E-15 GRAD(Rho)x -0.7238405E-16 GRAD(Rho)y -0.1729709E-15 GRAD(Rho)z -0.2427732E-15 Laplacian 0.4608834E+00 (-1/4)Del**2(Rho)) -0.1152208E+00 Diamond 0.6971239E+00 Metallicity 0.4264479E+01 Ellipticity 0.3220285E-01 Gb(Abramov) 0.1587067E+00 Vb(Abramov) -0.2021926E+00 Hb(Abramov) -0.4348587E-01 Ex_ueg -0.4290687E-01 Ec_ueg -0.6448409E-02 Delta_ex -0.4666297E-01 Delta_ec 0.1225075E-01 Delta_et -0.1568678E+00 Pxc 0.6653869E+01 Qxc -0.3808990E+01 3,-1 151 3 -1 0.560534 2.766175 1.835165 Rho 0.1293198E+00 |GRAD(Rho)| 0.1061194E-12 GRAD(Rho)x -0.6865188E-13 GRAD(Rho)y -0.5763175E-14 GRAD(Rho)z 0.8071569E-13 Laplacian 0.5439252E+00 (-1/4)Del**2(Rho)) -0.1359813E+00 Diamond 0.9104498E+00 Metallicity 0.4189697E+01 Ellipticity 0.8315905E-02 Gb(Abramov) 0.1856076E+00 Vb(Abramov) -0.2352339E+00 Hb(Abramov) -0.4962631E-01 Ex_ueg -0.4829905E-01 Ec_ueg -0.7133143E-02 Delta_ex -0.5619685E-01 Delta_ec 0.1405025E-01 Delta_et -0.1824072E+00 Pxc 0.6771076E+01 Qxc -0.3999706E+01 3,-1 152 3 -1 1.720505 -1.734799 0.536410 Rho 0.4817969E-01 |GRAD(Rho)| 0.4137638E-13 GRAD(Rho)x 0.2687885E-13 GRAD(Rho)y -0.2813907E-13 GRAD(Rho)z -0.1406146E-13 Laplacian 0.1967531E+00 (-1/4)Del**2(Rho)) -0.4918828E-01 Diamond 0.9387425E-01 Metallicity 0.2234249E+01 Ellipticity 0.1104882E-01 Gb(Abramov) 0.5110866E-01 Vb(Abramov) -0.5302905E-01 Hb(Abramov) -0.1920383E-02 Ex_ueg -0.1294803E-01 Ec_ueg -0.2314504E-02 Delta_ex -0.1600138E-01 Delta_ec 0.5786344E-02 Delta_et -0.6040647E-01 Pxc 0.5594301E+01 Qxc -0.2765369E+01 3,-1 153 3 +1 1.106303 -1.353607 2.173127 Rho 0.2805839E-01 |GRAD(Rho)| 0.6938646E-12 GRAD(Rho)x 0.5214936E-12 GRAD(Rho)y 0.4306274E-12 GRAD(Rho)z 0.1550891E-12 Laplacian 0.1139109E+00 (-1/4)Del**2(Rho)) -0.2847773E-01 Diamond 0.1795815E-01 Metallicity 0.1567301E+01 Ellipticity -0.4467794E+01 Gb(Abramov) 0.2642401E-01 Vb(Abramov) -0.2437030E-01 Hb(Abramov) 0.2053713E-02 Ex_ueg -0.6297025E-02 Ec_ueg -0.1243899E-02 Delta_ex -0.7353187E-02 Delta_ec 0.2014969E-02 Delta_et -0.1827889E-01 Pxc 0.5062329E+01 Qxc -0.3649280E+01 3,+1 154 3 -1 2.978750 2.006312 -0.853991 Rho 0.1384102E+00 |GRAD(Rho)| 0.2620261E-15 GRAD(Rho)x 0.5435241E-16 GRAD(Rho)y 0.8420185E-16 GRAD(Rho)z 0.2421023E-15 Laplacian 0.5444288E+00 (-1/4)Del**2(Rho)) -0.1361072E+00 Diamond 0.1006459E+01 Metallicity 0.4687616E+01 Ellipticity 0.3059582E-01 Gb(Abramov) 0.1970745E+00 Vb(Abramov) -0.2580418E+00 Hb(Abramov) -0.6096731E-01 Ex_ueg -0.5287808E-01 Ec_ueg -0.7705777E-02 Delta_ex -0.5738100E-01 Delta_ec 0.1418311E-01 Delta_et -0.1867963E+00 Pxc 0.6862135E+01 Qxc -0.4045727E+01 3,-1 155 3 -1 1.714508 1.739340 -0.541988 Rho 0.4780109E-01 |GRAD(Rho)| 0.6160384E-16 GRAD(Rho)x 0.1254159E-16 GRAD(Rho)y -0.5585251E-16 GRAD(Rho)z 0.2276486E-16 Laplacian 0.1955306E+00 (-1/4)Del**2(Rho)) -0.4888266E-01 Diamond 0.9230234E-01 Metallicity 0.2218851E+01 Ellipticity 0.1261578E-01 Gb(Abramov) 0.5066566E-01 Vb(Abramov) -0.5244866E-01 Hb(Abramov) -0.1783001E-02 Ex_ueg -0.1281255E-01 Ec_ueg -0.2293692E-02 Delta_ex -0.1587072E-01 Delta_ec 0.5751283E-02 Delta_et -0.5991670E-01 Pxc 0.5585994E+01 Qxc -0.2759509E+01 3,-1 156 3 -1 2.977520 -2.007168 0.855279 Rho 0.1374003E+00 |GRAD(Rho)| 0.6612160E-14 GRAD(Rho)x -0.4791320E-14 GRAD(Rho)y -0.1855124E-14 GRAD(Rho)z -0.4162022E-14 Laplacian 0.5404603E+00 (-1/4)Del**2(Rho)) -0.1351151E+00 Diamond 0.9903139E+00 Metallicity 0.4664754E+01 Ellipticity 0.3050229E-01 Gb(Abramov) 0.1951231E+00 Vb(Abramov) -0.2551312E+00 Hb(Abramov) -0.6000807E-01 Ex_ueg -0.5236429E-01 Ec_ueg -0.7641896E-02 Delta_ex -0.5686094E-01 Delta_ec 0.1410354E-01 Delta_et -0.1855359E+00 Pxc 0.6852264E+01 Qxc -0.4031678E+01 3,-1 157 3 -1 1.972316 -3.004722 0.862778 Rho 0.1457502E+00 |GRAD(Rho)| 0.1148866E-13 GRAD(Rho)x -0.5984932E-14 GRAD(Rho)y 0.9716742E-14 GRAD(Rho)z 0.1324665E-14 Laplacian 0.5731781E+00 (-1/4)Del**2(Rho)) -0.1432945E+00 Diamond 0.1126475E+01 Metallicity 0.4852949E+01 Ellipticity 0.4223080E-01 Gb(Abramov) 0.2114299E+00 Vb(Abramov) -0.2795652E+00 Hb(Abramov) -0.6813533E-01 Ex_ueg -0.5664968E-01 Ec_ueg -0.8172026E-02 Delta_ex -0.6116636E-01 Delta_ec 0.1472687E-01 Delta_et -0.1954252E+00 Pxc 0.6932146E+01 Qxc -0.4153385E+01 3,-1 158 3 -1 2.014037 0.853162 -2.978948 Rho 0.1371678E+00 |GRAD(Rho)| 0.2281025E-15 GRAD(Rho)x 0.7856400E-16 GRAD(Rho)y 0.1962677E-15 GRAD(Rho)z -0.8565875E-16 Laplacian 0.5385190E+00 (-1/4)Del**2(Rho)) -0.1346298E+00 Diamond 0.9856966E+00 Metallicity 0.4668374E+01 Ellipticity 0.3174670E-01 Gb(Abramov) 0.1945035E+00 Vb(Abramov) -0.2543772E+00 Hb(Abramov) -0.5987375E-01 Ex_ueg -0.5224618E-01 Ec_ueg -0.7627198E-02 Delta_ex -0.5664404E-01 Delta_ec 0.1407758E-01 Delta_et -0.1851837E+00 Pxc 0.6849983E+01 Qxc -0.4023707E+01 3,-1 159 3 -1 3.000508 -0.863716 1.975460 Rho 0.1445867E+00 |GRAD(Rho)| 0.4584246E-15 GRAD(Rho)x -0.1827558E-15 GRAD(Rho)y 0.2979523E-15 GRAD(Rho)z 0.2966106E-15 Laplacian 0.5702046E+00 (-1/4)Del**2(Rho)) -0.1425511E+00 Diamond 0.1108746E+01 Metallicity 0.4813521E+01 Ellipticity 0.4088616E-01 Gb(Abramov) 0.2093963E+00 Vb(Abramov) -0.2762414E+00 Hb(Abramov) -0.6684511E-01 Ex_ueg -0.5604748E-01 Ec_ueg -0.8097888E-02 Delta_ex -0.6071792E-01 Delta_ec 0.1465788E-01 Delta_et -0.1942357E+00 Pxc 0.6921246E+01 Qxc -0.4142338E+01 3,-1 160 3 +3 2.326901 0.005296 -0.004311 Rho 0.4854687E-02 |GRAD(Rho)| 0.1543145E-13 GRAD(Rho)x -0.9451626E-14 GRAD(Rho)y 0.1059573E-13 GRAD(Rho)z 0.6043749E-14 Laplacian 0.1984658E-01 (-1/4)Del**2(Rho)) -0.4961645E-02 Diamond 0.1907192E-03 Metallicity 0.4832772E+00 Ellipticity -0.2853428E+00 Gb(Abramov) 0.3707405E-02 Vb(Abramov) -0.2453165E-02 Hb(Abramov) 0.1254240E-02 Ex_ueg -0.6071091E-03 Ec_ueg -0.1406648E-03 Delta_ex -0.7357398E-03 Delta_ec 0.1867668E-03 Delta_et -0.1183070E-02 Pxc 0.4316000E+01 Qxc -0.3939349E+01 3,+3 161 3 -1 1.741227 0.529636 -1.714638 Rho 0.4833807E-01 |GRAD(Rho)| 0.6595330E-16 GRAD(Rho)x -0.4168715E-16 GRAD(Rho)y 0.1561336E-16 GRAD(Rho)z 0.4866458E-16 Laplacian 0.1975871E+00 (-1/4)Del**2(Rho)) -0.4939677E-01 Diamond 0.9478871E-01 Metallicity 0.2237021E+01 Ellipticity 0.1194330E-01 Gb(Abramov) 0.5134812E-01 Vb(Abramov) -0.5329946E-01 Hb(Abramov) -0.1951346E-02 Ex_ueg -0.1300481E-01 Ec_ueg -0.2323216E-02 Delta_ex -0.1608677E-01 Delta_ec 0.5818370E-02 Delta_et -0.6079495E-01 Pxc 0.5597762E+01 Qxc -0.2764824E+01 3,-1 162 3 -1 2.005610 -0.849643 2.981424 Rho 0.1338385E+00 |GRAD(Rho)| 0.4831018E-14 GRAD(Rho)x 0.2811201E-14 GRAD(Rho)y 0.3565345E-14 GRAD(Rho)z -0.1650515E-14 Laplacian 0.5250562E+00 (-1/4)Del**2(Rho)) -0.1312641E+00 Diamond 0.9332352E+00 Metallicity 0.4595957E+01 Ellipticity 0.2878967E-01 Gb(Abramov) 0.1880567E+00 Vb(Abramov) -0.2448493E+00 Hb(Abramov) -0.5679264E-01 Ex_ueg -0.5056227E-01 Ec_ueg -0.7417119E-02 Delta_ex -0.5490205E-01 Delta_ec 0.1380984E-01 Delta_et -0.1809649E+00 Pxc 0.6816970E+01 Qxc -0.3975575E+01 3,-1 163 3 -1 1.818447 -0.552811 -2.758918 Rho 0.1395435E+00 |GRAD(Rho)| 0.8981827E-16 GRAD(Rho)x -0.6696304E-16 GRAD(Rho)y 0.1725237E-16 GRAD(Rho)z -0.5732041E-16 Laplacian 0.5878219E+00 (-1/4)Del**2(Rho)) -0.1469555E+00 Diamond 0.1093462E+01 Metallicity 0.4400988E+01 Ellipticity 0.7463930E-02 Gb(Abramov) 0.2057619E+00 Vb(Abramov) -0.2645683E+00 Hb(Abramov) -0.5880640E-01 Ex_ueg -0.5345619E-01 Ec_ueg -0.7777547E-02 Delta_ex -0.6203444E-01 Delta_ec 0.1520668E-01 Delta_et -0.2003698E+00 Pxc 0.6873143E+01 Qxc -0.4079420E+01 3,-1 164 3 -1 1.743716 -0.528727 1.715293 Rho 0.4886447E-01 |GRAD(Rho)| 0.9236479E-16 GRAD(Rho)x 0.1899768E-16 GRAD(Rho)y 0.3610965E-16 GRAD(Rho)z 0.8286396E-16 Laplacian 0.2000650E+00 (-1/4)Del**2(Rho)) -0.5001624E-01 Diamond 0.9747840E-01 Metallicity 0.2249559E+01 Ellipticity 0.1234354E-01 Gb(Abramov) 0.5209657E-01 Vb(Abramov) -0.5417691E-01 Hb(Abramov) -0.2080336E-02 Ex_ueg -0.1319398E-01 Ec_ueg -0.2352203E-02 Delta_ex -0.1633643E-01 Delta_ec 0.5896971E-02 Delta_et -0.6179256E-01 Pxc 0.5609204E+01 Qxc -0.2770308E+01 3,-1 165 3 +1 2.879764 -0.167698 0.170619 Rho 0.5498328E-02 |GRAD(Rho)| 0.5978224E-17 GRAD(Rho)x -0.1000577E-17 GRAD(Rho)y 0.4738580E-17 GRAD(Rho)z 0.3504835E-17 Laplacian 0.2264676E-01 (-1/4)Del**2(Rho)) -0.5661689E-02 Diamond 0.5723772E-03 Metallicity 0.5211846E+00 Ellipticity -0.2796444E+01 Gb(Abramov) 0.4266257E-02 Vb(Abramov) -0.2870825E-02 Hb(Abramov) 0.1395432E-02 Ex_ueg -0.7167361E-03 Ec_ueg -0.1684205E-03 Delta_ex -0.1124280E-02 Delta_ec 0.6726461E-03 Delta_et -0.3774832E-02 Pxc 0.4255634E+01 Qxc -0.1671428E+01 3,+1 166 3 -1 2.754172 1.822911 0.549956 Rho 0.1305096E+00 |GRAD(Rho)| 0.4104567E-16 GRAD(Rho)x 0.1223793E-16 GRAD(Rho)y -0.3897707E-16 GRAD(Rho)z -0.3970890E-17 Laplacian 0.5499764E+00 (-1/4)Del**2(Rho)) -0.1374941E+00 Diamond 0.9454361E+00 Metallicity 0.4207327E+01 Ellipticity 0.1135301E-01 Gb(Abramov) 0.1880765E+00 Vb(Abramov) -0.2386589E+00 Hb(Abramov) -0.5058240E-01 Ex_ueg -0.4889241E-01 Ec_ueg -0.7207779E-02 Delta_ex -0.5712407E-01 Delta_ec 0.1448941E-01 Delta_et -0.1889817E+00 Pxc 0.6783284E+01 Qxc -0.3942471E+01 3,-1 167 3 -1 2.765208 -1.817082 -0.552453 Rho 0.1369627E+00 |GRAD(Rho)| 0.3054242E-15 GRAD(Rho)x -0.8504888E-16 GRAD(Rho)y -0.2851994E-15 GRAD(Rho)z 0.6864355E-16 Laplacian 0.5764492E+00 (-1/4)Del**2(Rho)) -0.1441123E+00 Diamond 0.1048978E+01 Metallicity 0.4350334E+01 Ellipticity 0.8720353E-02 Gb(Abramov) 0.2005643E+00 Vb(Abramov) -0.2570163E+00 Hb(Abramov) -0.5645200E-01 Ex_ueg -0.5214205E-01 Ec_ueg -0.7614236E-02 Delta_ex -0.6056393E-01 Delta_ec 0.1498922E-01 Delta_et -0.1969592E+00 Pxc 0.6847968E+01 Qxc -0.4040498E+01 3,-1 168 3 -1 1.784907 -2.780330 -0.564275 Rho 0.1454538E+00 |GRAD(Rho)| 0.1095129E-15 GRAD(Rho)x 0.5293617E-16 GRAD(Rho)y -0.3557538E-17 GRAD(Rho)z -0.9580281E-16 Laplacian 0.6136512E+00 (-1/4)Del**2(Rho)) -0.1534128E+00 Diamond 0.1196105E+01 Metallicity 0.4517521E+01 Ellipticity 0.9854741E-02 Gb(Abramov) 0.2177828E+00 Vb(Abramov) -0.2821528E+00 Hb(Abramov) -0.6437000E-01 Ex_ueg -0.5649612E-01 Ec_ueg -0.8153132E-02 Delta_ex -0.6538052E-01 Delta_ec 0.1564555E-01 Delta_et -0.2072714E+00 Pxc 0.6929376E+01 Qxc -0.4178858E+01 3,-1 169 3 -1 2.788161 -0.567402 -1.782579 Rho 0.1447715E+00 |GRAD(Rho)| 0.1942385E-15 GRAD(Rho)x -0.7688349E-16 GRAD(Rho)y -0.1652460E-15 GRAD(Rho)z -0.6716632E-16 Laplacian 0.6106648E+00 (-1/4)Del**2(Rho)) -0.1526662E+00 Diamond 0.1184001E+01 Metallicity 0.4504178E+01 Ellipticity 0.9377458E-02 Gb(Abramov) 0.2163834E+00 Vb(Abramov) -0.2801006E+00 Hb(Abramov) -0.6371722E-01 Ex_ueg -0.5614304E-01 Ec_ueg -0.8109661E-02 Delta_ex -0.6499187E-01 Delta_ec 0.1559530E-01 Delta_et -0.2064830E+00 Pxc 0.6922983E+01 Qxc -0.4167402E+01 3,-1 170 3 -1 2.889346 -0.008393 0.013102 Rho 0.5530407E-02 |GRAD(Rho)| 0.6283895E-15 GRAD(Rho)x -0.4799294E-15 GRAD(Rho)y -0.2678262E-15 GRAD(Rho)z 0.3046476E-15 Laplacian 0.2215988E-01 (-1/4)Del**2(Rho)) -0.5539970E-02 Diamond 0.6743731E-03 Metallicity 0.5378249E+00 Ellipticity 0.2850956E+01 Gb(Abramov) 0.4189902E-02 Vb(Abramov) -0.2839834E-02 Hb(Abramov) 0.1350068E-02 Ex_ueg -0.7223170E-03 Ec_ueg -0.1698093E-03 Delta_ex -0.1190600E-02 Delta_ec 0.8174657E-03 Delta_et -0.4528078E-02 Pxc 0.4253695E+01 Qxc -0.1456453E+01 3,-1 171 3 -1 3.226866 -0.066398 -3.170700 Rho 0.2527851E+00 |GRAD(Rho)| 0.5845060E-15 GRAD(Rho)x -0.3024924E-15 GRAD(Rho)y 0.1719003E-15 GRAD(Rho)z 0.4696764E-15 Laplacian 0.9207968E+00 (-1/4)Del**2(Rho)) -0.2301992E+00 Diamond 0.3451166E+01 Metallicity 0.7563135E+01 Ellipticity 0.1130586E-02 Gb(Abramov) 0.4436374E+00 Vb(Abramov) -0.6570756E+00 Hb(Abramov) -0.2134382E+00 Ex_ueg -0.1180467E+00 Ec_ueg -0.1532739E-01 Delta_ex -0.1126973E+00 Delta_ec 0.1988997E-01 Delta_et -0.2752514E+00 Pxc 0.7701683E+01 Qxc -0.5666037E+01 3,-1 172 3 -1 3.225505 0.065906 3.171967 Rho 0.2525380E+00 |GRAD(Rho)| 0.1290749E-14 GRAD(Rho)x -0.8332094E-15 GRAD(Rho)y -0.2744116E-15 GRAD(Rho)z -0.9468338E-15 Laplacian 0.9208657E+00 (-1/4)Del**2(Rho)) -0.2302164E+00 Diamond 0.3447099E+01 Metallicity 0.7550251E+01 Ellipticity 0.1473123E-02 Gb(Abramov) 0.4431762E+00 Vb(Abramov) -0.6561360E+00 Hb(Abramov) -0.2129598E+00 Ex_ueg -0.1178928E+00 Ec_ueg -0.1531013E-01 Delta_ex -0.1126754E+00 Delta_ec 0.1989507E-01 Delta_et -0.2753065E+00 Pxc 0.7700314E+01 Qxc -0.5663485E+01 3,-1 173 3 -1 3.171170 -3.225685 -0.061531 Rho 0.2528242E+00 |GRAD(Rho)| 0.1077636E-13 GRAD(Rho)x -0.9194034E-16 GRAD(Rho)y -0.1036270E-13 GRAD(Rho)z 0.2955671E-14 Laplacian 0.9207235E+00 (-1/4)Del**2(Rho)) -0.2301809E+00 Diamond 0.3451879E+01 Metallicity 0.7565685E+01 Ellipticity 0.1234614E-02 Gb(Abramov) 0.4436999E+00 Vb(Abramov) -0.6572190E+00 Hb(Abramov) -0.2135190E+00 Ex_ueg -0.1180710E+00 Ec_ueg -0.1533011E-01 Delta_ex -0.1126946E+00 Delta_ec 0.1989052E-01 Delta_et -0.2752743E+00 Pxc 0.7701899E+01 Qxc -0.5665746E+01 3,-1 174 3 -1 3.003942 0.859599 -1.968078 Rho 0.1443537E+00 |GRAD(Rho)| 0.8404322E-12 GRAD(Rho)x 0.3360540E-12 GRAD(Rho)y 0.6155624E-12 GRAD(Rho)z 0.4631165E-12 Laplacian 0.5696983E+00 (-1/4)Del**2(Rho)) -0.1424246E+00 Diamond 0.1105925E+01 Metallicity 0.4804869E+01 Ellipticity 0.4016978E-01 Gb(Abramov) 0.2090049E+00 Vb(Abramov) -0.2755853E+00 Hb(Abramov) -0.6658038E-01 Ex_ueg -0.5592711E-01 Ec_ueg -0.8083056E-02 Delta_ex -0.6064333E-01 Delta_ec 0.1465642E-01 Delta_et -0.1941829E+00 Pxc 0.6919055E+01 Qxc -0.4137664E+01 3,-1 175 3 -1 2.779383 0.569546 1.787214 Rho 0.1491802E+00 |GRAD(Rho)| 0.7235071E-12 GRAD(Rho)x -0.9160314E-13 GRAD(Rho)y -0.4871793E-12 GRAD(Rho)z 0.5269988E-12 Laplacian 0.6296891E+00 (-1/4)Del**2(Rho)) -0.1574223E+00 Diamond 0.1263767E+01 Metallicity 0.4592038E+01 Ellipticity 0.1153939E-01 Gb(Abramov) 0.2254297E+00 Vb(Abramov) -0.2934371E+00 Hb(Abramov) -0.6800741E-01 Ex_ueg -0.5843412E-01 Ec_ueg -0.8391053E-02 Delta_ex -0.6749228E-01 Delta_ec 0.1592809E-01 Delta_et -0.2117113E+00 Pxc 0.6963860E+01 Qxc -0.4237311E+01 3,-1 176 3 -1 1.786573 2.788522 0.563316 Rho 0.1436048E+00 |GRAD(Rho)| 0.3094675E-15 GRAD(Rho)x 0.1814412E-15 GRAD(Rho)y -0.5135053E-16 GRAD(Rho)z 0.2453821E-15 Laplacian 0.6030229E+00 (-1/4)Del**2(Rho)) -0.1507557E+00 Diamond 0.1159134E+01 Metallicity 0.4500159E+01 Ellipticity 0.1225833E-01 Gb(Abramov) 0.2135746E+00 Vb(Abramov) -0.2763935E+00 Hb(Abramov) -0.6281888E-01 Ex_ueg -0.5554059E-01 Ec_ueg -0.8035397E-02 Delta_ex -0.6406492E-01 Delta_ec 0.1545453E-01 Delta_et -0.2044303E+00 Pxc 0.6911991E+01 Qxc -0.4145382E+01 3,-1 177 3 -1 -2.975636 -2.013002 -0.845805 Rho 0.1305498E+00 |GRAD(Rho)| 0.1705280E-15 GRAD(Rho)x 0.1353288E-15 GRAD(Rho)y 0.8389014E-17 GRAD(Rho)z 0.1034193E-15 Laplacian 0.5133221E+00 (-1/4)Del**2(Rho)) -0.1283305E+00 Diamond 0.8856554E+00 Metallicity 0.4510070E+01 Ellipticity 0.2504591E-01 Gb(Abramov) 0.1820170E+00 Vb(Abramov) -0.2357034E+00 Hb(Abramov) -0.5368644E-01 Ex_ueg -0.4891250E-01 Ec_ueg -0.7210303E-02 Delta_ex -0.5335568E-01 Delta_ec 0.1358488E-01 Delta_et -0.1773091E+00 Pxc 0.6783695E+01 Qxc -0.3927579E+01 3,-1 178 3 -1 -2.757814 -1.821514 0.558404 Rho 0.1405467E+00 |GRAD(Rho)| 0.1744287E-15 GRAD(Rho)x -0.2385245E-17 GRAD(Rho)y -0.8223673E-16 GRAD(Rho)z 0.1538076E-15 Laplacian 0.5919305E+00 (-1/4)Del**2(Rho)) -0.1479826E+00 Diamond 0.1110542E+01 Metallicity 0.4422932E+01 Ellipticity 0.7203866E-02 Gb(Abramov) 0.2077413E+00 Vb(Abramov) -0.2674999E+00 Hb(Abramov) -0.5975864E-01 Ex_ueg -0.5396920E-01 Ec_ueg -0.7841141E-02 Delta_ex -0.6257622E-01 Delta_ec 0.1528475E-01 Delta_et -0.2016132E+00 Pxc 0.6882825E+01 Qxc -0.4094029E+01 3,-1 179 3 -1 -2.018821 -0.841968 -2.978379 Rho 0.1251332E+00 |GRAD(Rho)| 0.1550488E-13 GRAD(Rho)x 0.1265114E-13 GRAD(Rho)y -0.7410915E-14 GRAD(Rho)z 0.5042651E-14 Laplacian 0.4876366E+00 (-1/4)Del**2(Rho)) -0.1219092E+00 Diamond 0.7885771E+00 Metallicity 0.4423894E+01 Ellipticity 0.3940661E-01 Gb(Abramov) 0.1711583E+00 Vb(Abramov) -0.2204074E+00 Hb(Abramov) -0.4924914E-01 Ex_ueg -0.4622554E-01 Ec_ueg -0.6871247E-02 Delta_ex -0.5003342E-01 Delta_ec 0.1278640E-01 Delta_et -0.1652796E+00 Pxc 0.6727387E+01 Qxc -0.3913019E+01 3,-1 180 3 -1 -0.071963 3.163769 -3.243016 Rho 0.2421037E+00 |GRAD(Rho)| 0.8228918E-14 GRAD(Rho)x 0.1637660E-14 GRAD(Rho)y -0.6104275E-14 GRAD(Rho)z 0.5269819E-14 Laplacian 0.8616068E+00 (-1/4)Del**2(Rho)) -0.2154017E+00 Diamond 0.3096804E+01 Metallicity 0.7521535E+01 Ellipticity 0.1728243E-02 Gb(Abramov) 0.4136264E+00 Vb(Abramov) -0.6118510E+00 Hb(Abramov) -0.1982247E+00 Ex_ueg -0.1114432E+00 Ec_ueg -0.1458466E-01 Delta_ex -0.1044287E+00 Delta_ec 0.1914748E-01 Delta_et -0.2660304E+00 Pxc 0.7641127E+01 Qxc -0.5453913E+01 3,-1 181 3 -1 0.074054 3.175643 3.231408 Rho 0.2427139E+00 |GRAD(Rho)| 0.1452436E-13 GRAD(Rho)x -0.2806850E-14 GRAD(Rho)y -0.9725185E-14 GRAD(Rho)z -0.1041631E-13 Laplacian 0.8622640E+00 (-1/4)Del**2(Rho)) -0.2155660E+00 Diamond 0.3109868E+01 Metallicity 0.7547399E+01 Ellipticity 0.1999632E-03 Gb(Abramov) 0.4148711E+00 Vb(Abramov) -0.6141762E+00 Hb(Abramov) -0.1993051E+00 Ex_ueg -0.1118179E+00 Ec_ueg -0.1462692E-01 Delta_ex -0.1045838E+00 Delta_ec 0.1915993E-01 Delta_et -0.2662810E+00 Pxc 0.7644664E+01 Qxc -0.5458467E+01 3,-1 182 3 -1 0.479154 -0.469959 0.472228 Rho 0.1871258E+00 |GRAD(Rho)| 0.8892146E-15 GRAD(Rho)x -0.7355228E-15 GRAD(Rho)y -0.1040834E-16 GRAD(Rho)z 0.4996004E-15 Laplacian 0.5190754E+00 (-1/4)Del**2(Rho)) -0.1297688E+00 Diamond 0.1398563E+01 Metallicity 0.8127161E+01 Ellipticity 0.2541431E-02 Gb(Abramov) 0.2622879E+00 Vb(Abramov) -0.3948070E+00 Hb(Abramov) -0.1325191E+00 Ex_ueg -0.7904905E-01 Ec_ueg -0.1086112E-01 Delta_ex -0.5910215E-01 Delta_ec 0.1279492E-01 Delta_et -0.1759716E+00 Pxc 0.7278164E+01 Qxc -0.4619187E+01 3,-1 183 3 -1 3.168623 3.232218 0.051322 Rho 0.2525175E+00 |GRAD(Rho)| 0.3472537E-15 GRAD(Rho)x 0.3438005E-15 GRAD(Rho)y 0.2320193E-16 GRAD(Rho)z -0.4298862E-16 Laplacian 0.9193630E+00 (-1/4)Del**2(Rho)) -0.2298408E+00 Diamond 0.3442765E+01 Metallicity 0.7561569E+01 Ellipticity 0.1421592E-02 Gb(Abramov) 0.4428866E+00 Vb(Abramov) -0.6559325E+00 Hb(Abramov) -0.2130459E+00 Ex_ueg -0.1178801E+00 Ec_ueg -0.1530870E-01 Delta_ex -0.1124973E+00 Delta_ec 0.1987755E-01 Delta_et -0.2751323E+00 Pxc 0.7700201E+01 Qxc -0.5659513E+01 3,-1 184 3 -1 1.968720 3.008505 -0.867133 Rho 0.1542704E+00 |GRAD(Rho)| 0.1428696E-14 GRAD(Rho)x -0.8010628E-15 GRAD(Rho)y 0.1198857E-15 GRAD(Rho)z -0.1176901E-14 Laplacian 0.6061257E+00 (-1/4)Del**2(Rho)) -0.1515314E+00 Diamond 0.1273234E+01 Metallicity 0.5044924E+01 Ellipticity 0.5019382E-01 Gb(Abramov) 0.2284317E+00 Vb(Abramov) -0.3053320E+00 Hb(Abramov) -0.7690028E-01 Ex_ueg -0.6110758E-01 Ec_ueg -0.8717437E-02 Delta_ex -0.6557062E-01 Delta_ec 0.1531948E-01 Delta_et -0.2048318E+00 Pxc 0.7009810E+01 Qxc -0.4280211E+01 3,-1 185 3 -1 1.817711 0.555282 2.770111 Rho 0.1380249E+00 |GRAD(Rho)| 0.5577657E-14 GRAD(Rho)x 0.4448685E-14 GRAD(Rho)y -0.3048478E-14 GRAD(Rho)z 0.1423463E-14 Laplacian 0.5780361E+00 (-1/4)Del**2(Rho)) -0.1445090E+00 Diamond 0.1061725E+01 Metallicity 0.4394614E+01 Ellipticity 0.9885945E-02 Gb(Abramov) 0.2021829E+00 Vb(Abramov) -0.2598568E+00 Hb(Abramov) -0.5767390E-01 Ex_ueg -0.5268194E-01 Ec_ueg -0.7681401E-02 Delta_ex -0.6084527E-01 Delta_ec 0.1500340E-01 Delta_et -0.1973824E+00 Pxc 0.6858377E+01 Qxc -0.4055432E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 132 122 111 141 145 134 121 139 146 113 105 133 115 123 116 147 150 180 107 138 151 108 117 181 152 167 168 156 157 173 155 166 176 154 184 183 90 72 92 73 94 78 88 178 57 177 84 56 55 79 95 60 179 67 96 75 103 71 97 69 164 175 185 159 162 172 161 169 163 174 158 171 182 131 143 119 64 170 82 114 118 110 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 16 17 18 21 22 25 26 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 53 53 19 20 23 24 27 28 2.417589 1.932942 1.974931 1.931676 1.964941 1.712763 2.372855 1.932362 1.951984 1.929797 1.952079 1.724407 2.417775 1.901053 1.970952 1.939612 1.996130 1.713584 2.424322 1.931099 1.946590 1.952114 1.972140 1.712650 2.383154 1.947765 1.923659 1.958852 1.935561 1.724125 2.385761 1.966655 1.928938 1.955687 1.913154 1.724569 2.384636 1.958575 1.910402 1.966494 1.928873 1.724765 2.383882 1.937503 1.905763 1.979414 1.944271 1.724436 2.427611 1.922759 1.986631 1.921573 1.973210 1.712880 2.382049 1.936738 1.946001 1.932959 1.947709 1.724295 2.376597 1.913788 1.945272 1.938210 1.969848 1.724530 2.381446 1.925570 1.940268 1.938650 1.959972 1.724181 1.695255 1.694882 1.694557 1.693928 3.265099 3.255196 3.260970 3.261861 3.264030 3.254139 2.419137 1.933483 1.975484 1.932493 1.965783 1.712778 2.374592 1.932782 1.952376 1.930473 1.952746 1.724413 2.419326 1.901635 1.971461 1.940441 1.997058 1.713598 2.425872 1.931641 1.947093 1.952968 1.972996 1.712663 2.384855 1.948152 1.924077 1.959528 1.936235 1.724130 2.387507 1.967022 1.929400 1.956349 1.913803 1.724575 2.386401 1.958973 1.910869 1.967176 1.929526 1.724769 2.385621 1.937882 1.906214 1.980085 1.944961 1.724439 2.429170 1.923317 1.987239 1.922370 1.974077 1.712893 2.383813 1.937156 1.946428 1.933638 1.948367 1.724301 2.378281 1.914197 1.945694 1.938882 1.970520 1.724535 2.383154 1.925989 1.940660 1.939341 1.960638 1.724186 1.695258 1.694886 1.694560 1.693932 3.274927 3.264328 3.269838 3.270374 3.272921 3.265353 31 27 27 28 25 25 30 27 27 27 28 25 31 27 27 26 26 23 29 27 24 28 28 24 27 25 25 26 24 23 27 24 28 25 27 24 30 27 27 27 28 22 30 27 30 27 28 23 29 27 27 27 28 23 30 28 27 27 28 23 27 28 28 25 25 25 27 28 25 28 24 22 23 25 23 25 35 35 35 35 35 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 Mo W Mo Mo W W W W Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 2.3996 2.5152 2.4004 2.3938 2.5178 2.5108 2.5046 2.5121 2.3989 2.5116 2.5127 2.5167 -1.1401 -1.1398 -1.1396 -1.1388 -0.9485 -0.9509 -0.9146 -0.9484 -0.9500 -0.9150 -0.8929 -0.9170 -0.9186 -0.9206 -0.9185 -0.9505 -0.9426 -0.9028 -0.9424 -0.9418 -0.9026 -0.9063 -0.9059 -0.9082 -0.9429 -0.9096 -0.9082 -0.9097 -0.6546 -0.7354 -0.6574 -0.6545 -0.7356 -0.7363 -0.7362 -0.7359 -0.6556 -0.7350 -0.7358 -0.7355 2.5408 1.9442 2.0825 1.9378 1.9491 2.0817 2.0812 2.0807 2.0811 1.9394 2.0820 2.0814 2.0824 1.9364 1.9366 1.9368 1.9371 1.9352 1.9344 1.9401 1.9352 1.9345 1.9393 1.9438 1.9390 1.9391 1.9384 1.9384 1.9344 1.9493 1.9516 1.9490 1.9492 1.9511 1.9507 1.9504 1.9499 1.9491 1.9499 1.9501 1.9498 1.9868 1.9748 1.9864 1.9870 1.9752 1.9747 1.9747 1.9749 1.9868 1.9749 1.9749 1.9751 0.8011 6.0470 6.0835 6.0458 6.0481 6.0831 6.0828 6.0826 6.0827 6.0455 6.0826 6.0823 6.0835 5.1638 5.1634 5.1629 5.1618 4.9831 4.9863 4.9466 4.9831 4.9853 4.9475 4.9227 4.9501 4.9511 4.9538 4.9520 4.9859 4.9606 4.9206 4.9605 4.9600 4.9211 4.9250 4.9250 4.9278 4.9610 4.9291 4.9276 4.9294 4.6312 4.7222 4.6346 4.6310 4.7220 4.7232 4.7232 4.7226 4.6323 4.7218 4.7226 4.7220 1.1105 3.6093 3.2898 3.6160 3.6090 3.2885 3.2964 3.3033 3.2951 3.6162 3.2950 3.2948 3.2885 0.0399 0.0399 0.0399 0.0399 0.0302 0.0302 0.0280 0.0301 0.0302 0.0282 0.0263 0.0280 0.0284 0.0284 0.0282 0.0301 0.0328 0.0305 0.0329 0.0327 0.0305 0.0306 0.0305 0.0305 0.0328 0.0307 0.0306 0.0305 0.0365 0.0384 0.0364 0.0365 0.0384 0.0383 0.0383 0.0384 0.0365 0.0384 0.0383 0.0384 10.5476 0.0000 14.0289 0.0000 0.0000 14.0289 14.0288 14.0288 14.0289 0.0000 14.0289 14.0289 14.0289 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 Mo W Mo Mo W W W W Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 3.181748 2.523997 3.179632 3.181882 2.522866 2.521188 2.519897 2.520944 3.179324 2.522193 2.521464 2.523319 -1.138701 -1.137182 -1.137804 -1.136856 -0.939120 -0.941765 -1.055010 -0.938784 -0.941330 -1.054888 -1.161904 -1.055268 -1.043540 -1.044068 -1.052008 -0.941651 -0.907187 -1.022620 -0.907781 -0.907187 -1.019984 -1.020169 -1.016453 -1.011644 -0.907385 -1.012085 -1.013539 -1.006709 -0.920689 -0.758759 -0.922965 -0.920711 -0.758204 -0.759313 -0.759236 -0.758674 -0.920655 -0.758082 -0.758710 -0.758301 2.328468 2.374249 1.952548 2.379533 2.373603 1.952195 1.957914 1.963216 1.957512 2.380250 1.956825 1.957379 1.952296 -0.820441 -0.821512 -0.822056 -0.823591 -0.700342 -0.703805 -0.805341 -0.705158 -0.702762 -0.804516 -0.908150 -0.804435 -0.803236 -0.805160 -0.802413 -0.704660 -0.737221 -0.825707 -0.736880 -0.734643 -0.822778 -0.821652 -0.819769 -0.820464 -0.734026 -0.819863 -0.823382 -0.821769 -0.676967 -0.638443 -0.676352 -0.677580 -0.637627 -0.636120 -0.633205 -0.634964 -0.673273 -0.635602 -0.635327 -0.637694 1.691365 2.453958 2.047310 2.458851 2.453427 2.047893 2.053410 2.059516 2.052915 2.460006 2.053075 2.053352 2.047638 -0.854089 -0.854972 -0.855046 -0.856020 -0.781765 -0.783174 -0.886611 -0.786377 -0.781866 -0.881001 -0.980559 -0.884021 -0.879813 -0.880049 -0.880128 -0.783854 -0.775653 -0.859507 -0.774632 -0.769867 -0.854429 -0.856303 -0.854705 -0.852538 -0.771382 -0.852915 -0.858074 -0.853564 -0.638839 -0.603758 -0.638542 -0.638782 -0.602491 -0.602013 -0.598541 -0.599578 -0.635354 -0.600372 -0.600020 -0.602205 1.662060 -1.03669491 0.75642475 0.15197439 1.29228903 -6.37893571 -0.07611515 4.34044189 0.47063843 -3.90600546 5.90829729 -393.4281 413.6488 -92.2389 -371.2636 -10.3059 -453.5877 Jun10-2024 15:28:10 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:05 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.59519790 -16.66123543 -16.66522319 -16.66698272 -16.66754701 -16.66823654 -16.66835898 -16.66852417 -16.66861256 -16.66877942 -16.66885259 -16.66891612 -16.66900424 -16.66903998 GEOMETRY CONVERGED