ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 15:09:07 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.07 2.35 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 Jun19-2024 15:09:07 Nodes: 1 Procs: 1 Jun19-2024 15:09:10 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 15:09:13 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.71 0.06 4.24 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun19-2024 15:09:07 Nodes: 1 Procs: 1 Jun19-2024 15:09:10 Nodes: 1 Procs: 1 0 Jun19-2024 15:09:13 Nodes: 1 Procs: 1 Jun19-2024 15:09:16 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 15:09:21 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.07 1.81 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 Jun19-2024 15:09:07 Nodes: 1 Procs: 1 Jun19-2024 15:09:10 Nodes: 1 Procs: 1 0 Jun19-2024 15:09:13 Nodes: 1 Procs: 1 Jun19-2024 15:09:16 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 15:09:21 Nodes: 1 Procs: 1 Jun19-2024 15:09:24 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 15:09:27 Arsenic (TZP, 3p frozen) c2-6 c2-6 c2-6 c2-6 c2-6 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.10 3.68 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 Jun19-2024 15:09:07 Nodes: 1 Procs: 1 Jun19-2024 15:09:10 Nodes: 1 Procs: 1 0 Jun19-2024 15:09:13 Nodes: 1 Procs: 1 Jun19-2024 15:09:16 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 15:09:21 Nodes: 1 Procs: 1 Jun19-2024 15:09:24 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 15:09:27 Nodes: 1 Procs: 1 Jun19-2024 15:09:30 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 15:09:35 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2912.3013000000064 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-0.978068 -0.984303 Rho 0.3190139E+03 3,-3 15 3 -3 0.973513 0.982791 -0.964403 Rho 0.3190232E+03 3,-3 16 3 -3 -0.988676 0.970849 0.987765 Rho 0.3190212E+03 3,-3 17 3 -3 -3.049900 -1.152851 1.220933 Rho 0.3188579E+03 3,-3 18 3 -3 3.007830 -1.155089 -1.151013 Rho 0.3188606E+03 3,-3 19 3 -3 -3.040850 1.151945 -1.220110 Rho 0.3188590E+03 3,-3 20 3 -3 3.058739 1.210674 1.126956 Rho 0.3188704E+03 3,-3 21 3 -3 1.159065 -1.140122 -2.999663 Rho 0.3188670E+03 3,-3 22 3 -3 1.160100 1.212846 3.015022 Rho 0.3188540E+03 3,-3 23 3 -3 -1.128590 1.136446 -3.022751 Rho 0.3188619E+03 3,-3 24 3 -3 -1.140784 -1.146794 3.031732 Rho 0.3188572E+03 3,-3 25 3 -3 -1.148226 3.056123 -1.223731 Rho 0.3188626E+03 3,-3 26 3 -3 -1.131286 -3.028567 1.193845 Rho 0.3188564E+03 3,-3 27 3 -3 1.154132 3.041835 1.140486 Rho 0.3188589E+03 3,-3 28 3 -3 1.148414 -2.986892 -1.160955 Rho 0.3188619E+03 3,-3 29 3 -3 3.465728 -1.569407 1.473712 Rho 0.3189360E+03 3,-3 30 3 -3 -3.446954 -1.506939 -1.589715 Rho 0.3189302E+03 3,-3 31 3 -3 3.411672 1.519461 -1.523636 Rho 0.3189469E+03 3,-3 32 3 -3 -3.452454 1.504787 1.585133 Rho 0.3189280E+03 3,-3 33 3 -3 1.512198 -1.570453 3.442675 Rho 0.3189243E+03 3,-3 34 3 -3 1.525679 1.496267 -3.420731 Rho 0.3189501E+03 3,-3 35 3 -3 -1.498555 1.519428 3.436533 Rho 0.3189398E+03 3,-3 36 3 -3 -1.484027 -1.507893 -3.436491 Rho 0.3189453E+03 3,-3 37 3 -3 -1.484106 -3.464101 -1.580555 Rho 0.3189332E+03 3,-3 38 3 -3 -1.479684 3.453295 1.555631 Rho 0.3189246E+03 3,-3 39 3 -3 1.515059 -3.435297 1.506311 Rho 0.3189417E+03 3,-3 40 3 -3 1.515886 3.402494 -1.546917 Rho 0.3189477E+03 3,-3 41 3 -3 -0.225640 -3.770424 3.776293 Rho 0.3193054E+03 3,-3 42 3 -3 0.255188 -3.736553 -3.788919 Rho 0.3193123E+03 3,-3 43 3 -3 -0.193662 3.732894 -3.810573 Rho 0.3193105E+03 3,-3 44 3 -3 0.218148 3.770508 3.790851 Rho 0.3193083E+03 3,-3 45 3 -3 3.727260 -3.794260 -0.241638 Rho 0.3193157E+03 3,-3 46 3 -3 3.740159 3.797130 0.181612 Rho 0.3193132E+03 3,-3 47 3 -3 -3.821628 3.830962 -0.191808 Rho 0.3191774E+03 3,-3 48 3 -3 -3.808165 -3.835376 0.199213 Rho 0.3191760E+03 3,-3 49 3 -3 -3.729936 0.215932 -3.820326 Rho 0.3193076E+03 3,-3 50 3 -3 -3.737081 -0.211206 3.816633 Rho 0.3193111E+03 3,-3 51 3 -3 3.833164 0.203450 3.820035 Rho 0.3191724E+03 3,-3 52 3 -3 3.763449 -0.220795 -3.745609 Rho 0.3193187E+03 3,-3 53 3 -3 -0.009549 -0.011145 0.008956 Rho 0.4276081E+05 3,-3 54 3 -1 -1.750146 0.529350 1.734292 Rho 0.4646015E-01 |GRAD(Rho)| 0.1225232E-14 GRAD(Rho)x -0.2183736E-16 GRAD(Rho)y 0.8402387E-15 GRAD(Rho)z 0.8914687E-15 Laplacian 0.1886575E+00 (-1/4)Del**2(Rho)) -0.4716438E-01 Diamond 0.8584520E-01 Metallicity 0.2193175E+01 Ellipticity 0.1422850E-01 Gb(Abramov) 0.4868288E-01 Vb(Abramov) -0.5020138E-01 Hb(Abramov) -0.1518497E-02 Ex_ueg -0.1233557E-01 Ec_ueg -0.2220159E-02 Delta_ex -0.1521165E-01 Delta_ec 0.5564478E-02 Delta_et -0.5754234E-01 Pxc 0.5556165E+01 Qxc -0.2733707E+01 3,-1 55 3 +1 -1.287548 -1.164364 -2.184278 Rho 0.2852526E-01 |GRAD(Rho)| 0.7789992E-14 GRAD(Rho)x -0.5155086E-14 GRAD(Rho)y 0.1753559E-14 GRAD(Rho)z -0.5570824E-14 Laplacian 0.1164815E+00 (-1/4)Del**2(Rho)) -0.2912037E-01 Diamond 0.1965385E-01 Metallicity 0.1575453E+01 Ellipticity -0.7192304E+01 Gb(Abramov) 0.2705988E-01 Vb(Abramov) -0.2499939E-01 Hb(Abramov) 0.2060493E-02 Ex_ueg -0.6437114E-02 Ec_ueg -0.1267792E-02 Delta_ex -0.7631500E-02 Delta_ec 0.2201682E-02 Delta_et -0.2003512E-01 Pxc 0.5077420E+01 Qxc -0.3466214E+01 3,+1 56 3 +1 -2.933541 -0.095309 -0.088985 Rho 0.4786912E-02 |GRAD(Rho)| 0.1010778E-16 GRAD(Rho)x 0.5447769E-18 GRAD(Rho)y -0.8290089E-17 GRAD(Rho)z 0.5757158E-17 Laplacian 0.1880475E-01 (-1/4)Del**2(Rho)) -0.4701188E-02 Diamond 0.4314449E-03 Metallicity 0.4982393E+00 Ellipticity -0.7016646E+01 Gb(Abramov) 0.3524512E-02 Vb(Abramov) -0.2347835E-02 Hb(Abramov) 0.1176677E-02 Ex_ueg -0.5958345E-03 Ec_ueg -0.1377543E-03 Delta_ex -0.9447228E-03 Delta_ec 0.6235103E-03 Delta_et -0.3329426E-02 Pxc 0.4325342E+01 Qxc -0.1515168E+01 3,+1 57 3 -1 -1.749470 -0.533437 -1.733318 Rho 0.4624617E-01 |GRAD(Rho)| 0.1920060E-15 GRAD(Rho)x -0.1117516E-15 GRAD(Rho)y 0.4719096E-16 GRAD(Rho)z -0.1488317E-15 Laplacian 0.1884034E+00 (-1/4)Del**2(Rho)) -0.4710085E-01 Diamond 0.8515059E-01 Metallicity 0.2179301E+01 Ellipticity 0.1514884E-01 Gb(Abramov) 0.4850839E-01 Vb(Abramov) -0.4991593E-01 Hb(Abramov) -0.1407542E-02 Ex_ueg -0.1225987E-01 Ec_ueg -0.2208451E-02 Delta_ex -0.1517154E-01 Delta_ec 0.5553537E-02 Delta_et -0.5735860E-01 Pxc 0.5551346E+01 Qxc -0.2731870E+01 3,-1 58 3 +1 -0.558416 -1.673715 0.530408 Rho 0.8696259E-02 |GRAD(Rho)| 0.1045414E-12 GRAD(Rho)x 0.1802133E-13 GRAD(Rho)y 0.7243379E-13 GRAD(Rho)z -0.7319480E-13 Laplacian 0.3307492E-01 (-1/4)Del**2(Rho)) -0.8268731E-02 Diamond 0.8991439E-03 Metallicity 0.7661876E+00 Ellipticity -0.1480693E+01 Gb(Abramov) 0.6568387E-02 Vb(Abramov) -0.4868043E-02 Hb(Abramov) 0.1700344E-02 Ex_ueg -0.1320773E-02 Ec_ueg -0.3092891E-03 Delta_ex -0.1515473E-02 Delta_ec 0.4658031E-03 Delta_et -0.3192554E-02 Pxc 0.4270353E+01 Qxc -0.3253462E+01 3,+1 59 3 +1 0.557442 0.533062 1.673151 Rho 0.8432079E-02 |GRAD(Rho)| 0.5128394E-17 GRAD(Rho)x -0.1550041E-17 GRAD(Rho)y 0.1602077E-17 GRAD(Rho)z -0.4618566E-17 Laplacian 0.3215109E-01 (-1/4)Del**2(Rho)) -0.8037773E-02 Diamond 0.8460227E-03 Metallicity 0.7487012E+00 Ellipticity -0.1475569E+01 Gb(Abramov) 0.6361497E-02 Vb(Abramov) -0.4685221E-02 Hb(Abramov) 0.1676276E-02 Ex_ueg -0.1267549E-02 Ec_ueg -0.2974731E-03 Delta_ex -0.1465380E-02 Delta_ec 0.4593804E-03 Delta_et -0.3118265E-02 Pxc 0.4261052E+01 Qxc -0.3189905E+01 3,+1 60 3 +1 -1.406913 2.182895 1.063176 Rho 0.2617452E-01 |GRAD(Rho)| 0.1956165E-13 GRAD(Rho)x -0.1467095E-13 GRAD(Rho)y 0.6181619E-14 GRAD(Rho)z -0.1136701E-13 Laplacian 0.1011269E+00 (-1/4)Del**2(Rho)) -0.2528172E-01 Diamond 0.1309959E-01 Metallicity 0.1572333E+01 Ellipticity -0.2915093E+01 Gb(Abramov) 0.2347969E-01 Vb(Abramov) -0.2167767E-01 Hb(Abramov) 0.1802027E-02 Ex_ueg -0.5739712E-02 Ec_ueg -0.1148030E-02 Delta_ex -0.6266150E-02 Delta_ec 0.1535522E-02 Delta_et -0.1374271E-01 Pxc 0.4999620E+01 Qxc -0.4080794E+01 3,+1 61 3 +1 -2.934240 0.085087 0.081072 Rho 0.4788504E-02 |GRAD(Rho)| 0.1917025E-14 GRAD(Rho)x 0.8962443E-16 GRAD(Rho)y 0.1282476E-14 GRAD(Rho)z 0.1422043E-14 Laplacian 0.1879430E-01 (-1/4)Del**2(Rho)) -0.4698576E-02 Diamond 0.4352469E-03 Metallicity 0.4987926E+00 Ellipticity -0.8922416E+01 Gb(Abramov) 0.3522987E-02 Vb(Abramov) -0.2347397E-02 Hb(Abramov) 0.1175590E-02 Ex_ueg -0.5960988E-03 Ec_ueg -0.1378227E-03 Delta_ex -0.9480430E-03 Delta_ec 0.6299236E-03 Delta_et -0.3361403E-02 Pxc 0.4325115E+01 Qxc -0.1505013E+01 3,+1 62 3 +3 -2.386228 -0.001852 0.000768 Rho 0.4274464E-02 |GRAD(Rho)| 0.2643315E-17 GRAD(Rho)x -0.1868104E-17 GRAD(Rho)y 0.1134987E-17 GRAD(Rho)z 0.1486305E-17 Laplacian 0.1705206E-01 (-1/4)Del**2(Rho)) -0.4263016E-02 Diamond 0.1431890E-03 Metallicity 0.4549590E+00 Ellipticity -0.2276677E+00 Gb(Abramov) 0.3165260E-02 Vb(Abramov) -0.2067505E-02 Hb(Abramov) 0.1097756E-02 Ex_ueg -0.5123427E-03 Ec_ueg -0.1158249E-03 Delta_ex -0.6180684E-03 Delta_ec 0.1713378E-03 Delta_et -0.1037575E-02 Pxc 0.4423425E+01 Qxc -0.3607309E+01 3,+3 63 3 -1 -3.208683 -0.063299 3.235993 Rho 0.2428085E+00 |GRAD(Rho)| 0.3191184E-15 GRAD(Rho)x -0.7567731E-16 GRAD(Rho)y 0.2509928E-16 GRAD(Rho)z -0.3089976E-15 Laplacian 0.8874826E+00 (-1/4)Del**2(Rho)) -0.2218707E+00 Diamond 0.3174889E+01 Metallicity 0.7337697E+01 Ellipticity 0.1491593E-02 Gb(Abramov) 0.4192504E+00 Vb(Abramov) -0.6166301E+00 Hb(Abramov) -0.1973797E+00 Ex_ueg -0.1118760E+00 Ec_ueg -0.1463347E-01 Delta_ex -0.1075098E+00 Delta_ec 0.1946130E-01 Delta_et -0.2693330E+00 Pxc 0.7645211E+01 Qxc -0.5524285E+01 3,-1 64 3 +1 -0.526303 0.526749 -1.667260 Rho 0.8791410E-02 |GRAD(Rho)| 0.1276719E-14 GRAD(Rho)x 0.7794198E-16 GRAD(Rho)y -0.9366365E-15 GRAD(Rho)z 0.8640885E-15 Laplacian 0.3425460E-01 (-1/4)Del**2(Rho)) -0.8563649E-02 Diamond 0.9400953E-03 Metallicity 0.7533415E+00 Ellipticity -0.1450662E+01 Gb(Abramov) 0.6784325E-02 Vb(Abramov) -0.5005000E-02 Hb(Abramov) 0.1779324E-02 Ex_ueg -0.1340077E-02 Ec_ueg -0.3135524E-03 Delta_ex -0.1571657E-02 Delta_ec 0.4784833E-03 Delta_et -0.3291815E-02 Pxc 0.4273853E+01 Qxc -0.3284665E+01 3,+1 65 3 +1 -1.759816 1.765590 -1.775257 Rho 0.1187128E-01 |GRAD(Rho)| 0.2921643E-15 GRAD(Rho)x 0.2353412E-15 GRAD(Rho)y 0.1063598E-15 GRAD(Rho)z -0.1366094E-15 Laplacian 0.5814610E-01 (-1/4)Del**2(Rho)) -0.1453653E-01 Diamond 0.2251479E-02 Metallicity 0.7321304E+00 Ellipticity -0.1254877E+01 Gb(Abramov) 0.1146479E-01 Vb(Abramov) -0.8393053E-02 Hb(Abramov) 0.3071736E-02 Ex_ueg -0.2000085E-02 Ec_ueg -0.4536301E-03 Delta_ex -0.2837052E-02 Delta_ec 0.7315789E-03 Delta_et -0.5489061E-02 Pxc 0.4409066E+01 Qxc -0.3877984E+01 3,+1 66 3 +1 -1.690194 0.558085 -0.533700 Rho 0.8300860E-02 |GRAD(Rho)| 0.1564120E-16 GRAD(Rho)x -0.5893642E-17 GRAD(Rho)y 0.1806778E-17 GRAD(Rho)z -0.1437525E-16 Laplacian 0.3164240E-01 (-1/4)Del**2(Rho)) -0.7910600E-02 Diamond 0.8083291E-03 Metallicity 0.7411092E+00 Ellipticity -0.1459341E+01 Gb(Abramov) 0.6250836E-02 Vb(Abramov) -0.4591073E-02 Hb(Abramov) 0.1659764E-02 Ex_ueg -0.1241316E-02 Ec_ueg -0.2916157E-03 Delta_ex -0.1433340E-02 Delta_ec 0.4464539E-03 Delta_et -0.3022829E-02 Pxc 0.4256686E+01 Qxc -0.3210500E+01 3,+1 67 3 -1 -3.031951 0.854424 2.026061 Rho 0.1575041E+00 |GRAD(Rho)| 0.4376122E-15 GRAD(Rho)x 0.3350862E-15 GRAD(Rho)y -0.2534594E-15 GRAD(Rho)z 0.1223929E-15 Laplacian 0.6128383E+00 (-1/4)Del**2(Rho)) -0.1532096E+00 Diamond 0.1315965E+01 Metallicity 0.5165199E+01 Ellipticity 0.3102771E-01 Gb(Abramov) 0.2340327E+00 Vb(Abramov) -0.3148559E+00 Hb(Abramov) -0.8082314E-01 Ex_ueg -0.6282140E-01 Ec_ueg -0.8925603E-02 Delta_ex -0.6660135E-01 Delta_ec 0.1534465E-01 Delta_et -0.2055779E+00 Pxc 0.7038337E+01 Qxc -0.4340363E+01 3,-1 68 3 +3 -1.141689 -1.119873 1.113426 Rho 0.5137223E-02 |GRAD(Rho)| 0.5842403E-17 GRAD(Rho)x -0.5688830E-17 GRAD(Rho)y -0.9550015E-18 GRAD(Rho)z 0.9267450E-18 Laplacian 0.1952839E-01 (-1/4)Del**2(Rho)) -0.4882098E-02 Diamond 0.1385360E-03 Metallicity 0.5397102E+00 Ellipticity -0.1062324E+00 Gb(Abramov) 0.3693885E-02 Vb(Abramov) -0.2505672E-02 Hb(Abramov) 0.1188213E-02 Ex_ueg -0.6546707E-03 Ec_ueg -0.1528228E-03 Delta_ex -0.6771082E-03 Delta_ec 0.8124050E-04 Delta_et -0.6599140E-03 Pxc 0.4283854E+01 Qxc -0.8334613E+01 3,+3 69 3 -1 -3.239732 -3.261850 0.055667 Rho 0.2210198E+00 |GRAD(Rho)| 0.1748262E-14 GRAD(Rho)x 0.1813870E-15 GRAD(Rho)y 0.4784584E-15 GRAD(Rho)z 0.1671704E-14 Laplacian 0.8229549E+00 (-1/4)Del**2(Rho)) -0.2057387E+00 Diamond 0.2626160E+01 Metallicity 0.6765333E+01 Ellipticity 0.2183799E-02 Gb(Abramov) 0.3691410E+00 Vb(Abramov) -0.5325432E+00 Hb(Abramov) -0.1634022E+00 Ex_ueg -0.9869459E-01 Ec_ueg -0.1313694E-01 Delta_ex -0.9726520E-01 Delta_ec 0.1851770E-01 Delta_et -0.2551473E+00 Pxc 0.7512751E+01 Qxc -0.5252552E+01 3,-1 70 3 -1 -3.023369 -2.009373 -0.890847 Rho 0.1124954E+00 |GRAD(Rho)| 0.1787475E-09 GRAD(Rho)x 0.7433532E-10 GRAD(Rho)y -0.9735849E-10 GRAD(Rho)z 0.1301778E-09 Laplacian 0.4643551E+00 (-1/4)Del**2(Rho)) -0.1160888E+00 Diamond 0.6863930E+00 Metallicity 0.3890339E+01 Ellipticity 0.8667530E-02 Gb(Abramov) 0.1526633E+00 Vb(Abramov) -0.1892378E+00 Hb(Abramov) -0.3657452E-01 Ex_ueg -0.4010803E-01 Ec_ueg -0.6088004E-02 Delta_ex -0.4682493E-01 Delta_ec 0.1315408E-01 Delta_et -0.1679244E+00 Pxc 0.6588042E+01 Qxc -0.3559726E+01 3,-1 71 3 +1 -2.193083 -1.427515 -1.060117 Rho 0.2646951E-01 |GRAD(Rho)| 0.2359468E-16 GRAD(Rho)x 0.1402278E-16 GRAD(Rho)y 0.1749295E-16 GRAD(Rho)z -0.7353037E-17 Laplacian 0.1022478E+00 (-1/4)Del**2(Rho)) -0.2556194E-01 Diamond 0.1297768E-01 Metallicity 0.1584416E+01 Ellipticity -0.2623184E+01 Gb(Abramov) 0.2379142E-01 Vb(Abramov) -0.2202090E-01 Hb(Abramov) 0.1770522E-02 Ex_ueg -0.5826123E-02 Ec_ueg -0.1162983E-02 Delta_ex -0.6307302E-02 Delta_ec 0.1467439E-02 Delta_et -0.1318568E-01 Pxc 0.5009638E+01 Qxc -0.4298169E+01 3,+1 72 3 +1 -1.691839 -0.568761 0.540647 Rho 0.8343855E-02 |GRAD(Rho)| 0.6361168E-17 GRAD(Rho)x -0.4724121E-17 GRAD(Rho)y -0.3515845E-17 GRAD(Rho)z 0.2405405E-17 Laplacian 0.3170081E-01 (-1/4)Del**2(Rho)) -0.7925202E-02 Diamond 0.8132068E-03 Metallicity 0.7461408E+00 Ellipticity -0.1461704E+01 Gb(Abramov) 0.6269020E-02 Vb(Abramov) -0.4612839E-02 Hb(Abramov) 0.1656181E-02 Ex_ueg -0.1249897E-02 Ec_ueg -0.2935341E-03 Delta_ex -0.1436764E-02 Delta_ec 0.4453235E-03 Delta_et -0.3020793E-02 Pxc 0.4258097E+01 Qxc -0.3226337E+01 3,+1 73 3 -1 -2.813971 1.829009 -0.591931 Rho 0.1125222E+00 |GRAD(Rho)| 0.6562418E-14 GRAD(Rho)x 0.1910706E-14 GRAD(Rho)y -0.4877798E-14 GRAD(Rho)z -0.3952418E-14 Laplacian 0.4909993E+00 (-1/4)Del**2(Rho)) -0.1227498E+00 Diamond 0.7292743E+00 Metallicity 0.3680690E+01 Ellipticity 0.2115875E-01 Gb(Abramov) 0.1571339E+00 Vb(Abramov) -0.1915180E+00 Hb(Abramov) -0.3438407E-01 Ex_ueg -0.4012077E-01 Ec_ueg -0.6089653E-02 Delta_ex -0.4956253E-01 Delta_ec 0.1399392E-01 Delta_et -0.1787760E+00 Pxc 0.6588351E+01 Qxc -0.3541719E+01 3,-1 74 3 -1 -3.029100 2.009601 0.890486 Rho 0.1134523E+00 |GRAD(Rho)| 0.1000634E-14 GRAD(Rho)x 0.5275050E-15 GRAD(Rho)y -0.5374255E-15 GRAD(Rho)z -0.6589239E-15 Laplacian 0.4683319E+00 (-1/4)Del**2(Rho)) -0.1170830E+00 Diamond 0.6999666E+00 Metallicity 0.3912145E+01 Ellipticity 0.9643350E-02 Gb(Abramov) 0.1543962E+00 Vb(Abramov) -0.1917095E+00 Hb(Abramov) -0.3731327E-01 Ex_ueg -0.4056357E-01 Ec_ueg -0.6146914E-02 Delta_ex -0.4732844E-01 Delta_ec 0.1325699E-01 Delta_et -0.1695331E+00 Pxc 0.6599014E+01 Qxc -0.3570075E+01 3,-1 75 3 +1 -0.185010 -0.200626 -2.937861 Rho 0.5720929E-02 |GRAD(Rho)| 0.8718447E-14 GRAD(Rho)x 0.4350614E-14 GRAD(Rho)y -0.1122272E-14 GRAD(Rho)z 0.7471544E-14 Laplacian 0.2380551E-01 (-1/4)Del**2(Rho)) -0.5951378E-02 Diamond 0.5953088E-03 Metallicity 0.5297203E+00 Ellipticity -0.2130600E+01 Gb(Abramov) 0.4493013E-02 Vb(Abramov) -0.3034648E-02 Hb(Abramov) 0.1458365E-02 Ex_ueg -0.7556845E-03 Ec_ueg -0.1780680E-03 Delta_ex -0.1160689E-02 Delta_ec 0.6525276E-03 Delta_et -0.3728427E-02 Pxc 0.4243796E+01 Qxc -0.1778758E+01 3,+1 76 3 -1 -2.816231 -1.827652 0.594265 Rho 0.1131129E+00 |GRAD(Rho)| 0.1025214E-15 GRAD(Rho)x -0.8071208E-16 GRAD(Rho)y 0.2851452E-16 GRAD(Rho)z 0.5641917E-16 Laplacian 0.4927506E+00 (-1/4)Del**2(Rho)) -0.1231877E+00 Diamond 0.7370057E+00 Metallicity 0.3699754E+01 Ellipticity 0.2018837E-01 Gb(Abramov) 0.1580858E+00 Vb(Abramov) -0.1929839E+00 Hb(Abramov) -0.3489812E-01 Ex_ueg -0.4040185E-01 Ec_ueg -0.6126011E-02 Delta_ex -0.4980755E-01 Delta_ec 0.1404038E-01 Delta_et -0.1795679E+00 Pxc 0.6595131E+01 Qxc -0.3547451E+01 3,-1 77 3 -1 -3.249723 3.261048 -0.049526 Rho 0.2213380E+00 |GRAD(Rho)| 0.7902708E-15 GRAD(Rho)x 0.6835895E-15 GRAD(Rho)y -0.2592327E-15 GRAD(Rho)z 0.3000530E-15 Laplacian 0.8226597E+00 (-1/4)Del**2(Rho)) -0.2056649E+00 Diamond 0.2631222E+01 Metallicity 0.6784009E+01 Ellipticity 0.1972186E-02 Gb(Abramov) 0.3696487E+00 Vb(Abramov) -0.5336325E+00 Hb(Abramov) -0.1639838E+00 Ex_ueg -0.9888411E-01 Ec_ueg -0.1315861E-01 Delta_ex -0.9727519E-01 Delta_ec 0.1851886E-01 Delta_et -0.2552444E+00 Pxc 0.7514781E+01 Qxc -0.5252763E+01 3,-1 78 3 +1 -1.760747 -1.757707 1.772667 Rho 0.1187026E-01 |GRAD(Rho)| 0.2121934E-16 GRAD(Rho)x -0.1729226E-16 GRAD(Rho)y 0.1142901E-16 GRAD(Rho)z -0.4540476E-17 Laplacian 0.5811081E-01 (-1/4)Del**2(Rho)) -0.1452770E-01 Diamond 0.2243998E-02 Metallicity 0.7324704E+00 Ellipticity -0.1250404E+01 Gb(Abramov) 0.1145865E-01 Vb(Abramov) -0.8389604E-02 Hb(Abramov) 0.3069049E-02 Ex_ueg -0.1999856E-02 Ec_ueg -0.4535831E-03 Delta_ex -0.2833550E-02 Delta_ec 0.7280730E-03 Delta_et -0.5465085E-02 Pxc 0.4409018E+01 Qxc -0.3891849E+01 3,+1 79 3 -1 -3.026846 -0.855196 -2.029455 Rho 0.1574075E+00 |GRAD(Rho)| 0.3369188E-15 GRAD(Rho)x 0.5701548E-16 GRAD(Rho)y 0.3316032E-15 GRAD(Rho)z 0.1740144E-16 Laplacian 0.6117719E+00 (-1/4)Del**2(Rho)) -0.1529430E+00 Diamond 0.1312957E+01 Metallicity 0.5168917E+01 Ellipticity 0.3038103E-01 Gb(Abramov) 0.2337202E+00 Vb(Abramov) -0.3144975E+00 Hb(Abramov) -0.8077727E-01 Ex_ueg -0.6277005E-01 Ec_ueg -0.8919378E-02 Delta_ex -0.6647769E-01 Delta_ec 0.1532447E-01 Delta_et -0.2053014E+00 Pxc 0.7037492E+01 Qxc -0.4338008E+01 3,-1 80 3 -1 1.726363 0.534914 -1.717874 Rho 0.4642863E-01 |GRAD(Rho)| 0.2590664E-16 GRAD(Rho)x -0.1744634E-16 GRAD(Rho)y 0.1887062E-16 GRAD(Rho)z -0.3267853E-17 Laplacian 0.1884167E+00 (-1/4)Del**2(Rho)) -0.4710417E-01 Diamond 0.8550172E-01 Metallicity 0.2193497E+01 Ellipticity 0.1099066E-01 Gb(Abramov) 0.4862325E-01 Vb(Abramov) -0.5014233E-01 Hb(Abramov) -0.1519082E-02 Ex_ueg -0.1232441E-01 Ec_ueg -0.2218434E-02 Delta_ex -0.1518228E-01 Delta_ec 0.5544252E-02 Delta_et -0.5731997E-01 Pxc 0.5555456E+01 Qxc -0.2738382E+01 3,-1 81 3 -1 -2.819830 -0.564590 1.837683 Rho 0.1592257E+00 |GRAD(Rho)| 0.1117191E-13 GRAD(Rho)x 0.1583965E-14 GRAD(Rho)y 0.7822546E-14 GRAD(Rho)z 0.7817315E-14 Laplacian 0.6572351E+00 (-1/4)Del**2(Rho)) -0.1643088E+00 Diamond 0.1422583E+01 Metallicity 0.4904346E+01 Ellipticity 0.8251297E-02 Gb(Abramov) 0.2438437E+00 Vb(Abramov) -0.3233786E+00 Hb(Abramov) -0.7953493E-01 Ex_ueg -0.6373862E-01 Ec_ueg -0.9036685E-02 Delta_ex -0.7155197E-01 Delta_ec 0.1629185E-01 Delta_et -0.2182747E+00 Pxc 0.7053319E+01 Qxc -0.4391886E+01 3,-1 82 3 -1 0.847715 -3.000663 1.999202 Rho 0.1281685E+00 |GRAD(Rho)| 0.2660576E-15 GRAD(Rho)x 0.2498002E-15 GRAD(Rho)y -0.2944287E-16 GRAD(Rho)z -0.8671585E-16 Laplacian 0.4977162E+00 (-1/4)Del**2(Rho)) -0.1244291E+00 Diamond 0.8385673E+00 Metallicity 0.4510938E+01 Ellipticity 0.2592199E-01 Gb(Abramov) 0.1765013E+00 Vb(Abramov) -0.2285736E+00 Hb(Abramov) -0.5207229E-01 Ex_ueg -0.4772656E-01 Ec_ueg -0.7061003E-02 Delta_ex -0.5148816E-01 Delta_ec 0.1319944E-01 Delta_et -0.1717019E+00 Pxc 0.6759176E+01 Qxc -0.3900783E+01 3,-1 83 3 +1 -0.570911 1.688630 -0.530231 Rho 0.8070627E-02 |GRAD(Rho)| 0.2344871E-12 GRAD(Rho)x -0.1952506E-12 GRAD(Rho)y -0.1167654E-12 GRAD(Rho)z -0.5680872E-13 Laplacian 0.3069198E-01 (-1/4)Del**2(Rho)) -0.7672995E-02 Diamond 0.7531471E-03 Metallicity 0.7290664E+00 Ellipticity -0.1447778E+01 Gb(Abramov) 0.6047684E-02 Vb(Abramov) -0.4422372E-02 Hb(Abramov) 0.1625311E-02 Ex_ueg -0.1195624E-02 Ec_ueg -0.2813571E-03 Delta_ex -0.1379768E-02 Delta_ec 0.4317862E-03 Delta_et -0.2903405E-02 Pxc 0.4249491E+01 Qxc -0.3195489E+01 3,+1 84 3 +1 -0.177981 2.965225 0.141915 Rho 0.5127558E-02 |GRAD(Rho)| 0.2723198E-16 GRAD(Rho)x -0.2450480E-16 GRAD(Rho)y 0.1757631E-17 GRAD(Rho)z 0.1174759E-16 Laplacian 0.2052228E-01 (-1/4)Del**2(Rho)) -0.5130570E-02 Diamond 0.4603834E-03 Metallicity 0.5119629E+00 Ellipticity -0.2420988E+01 Gb(Abramov) 0.3858157E-02 Vb(Abramov) -0.2585744E-02 Hb(Abramov) 0.1272413E-02 Ex_ueg -0.6530290E-03 Ec_ueg -0.1524063E-03 Delta_ex -0.9941858E-03 Delta_ec 0.5906297E-03 Delta_et -0.3254383E-02 Pxc 0.4284791E+01 Qxc -0.1683264E+01 3,+1 85 3 +1 0.523560 -1.657487 -0.539039 Rho 0.8980963E-02 |GRAD(Rho)| 0.9839282E-17 GRAD(Rho)x -0.7390247E-17 GRAD(Rho)y 0.4321099E-17 GRAD(Rho)z 0.4850137E-17 Laplacian 0.3492478E-01 (-1/4)Del**2(Rho)) -0.8731195E-02 Diamond 0.9963045E-03 Metallicity 0.7656277E+00 Ellipticity -0.1473304E+01 Gb(Abramov) 0.6934938E-02 Vb(Abramov) -0.5138680E-02 Hb(Abramov) 0.1796258E-02 Ex_ueg -0.1378740E-02 Ec_ueg -0.3220575E-03 Delta_ex -0.1615171E-02 Delta_ec 0.4950771E-03 Delta_et -0.3418792E-02 Pxc 0.4281036E+01 Qxc -0.3262463E+01 3,+1 86 3 +3 -1.127982 1.134597 -1.093526 Rho 0.4987480E-02 |GRAD(Rho)| 0.1190415E-15 GRAD(Rho)x -0.6913182E-17 GRAD(Rho)y -0.8911908E-16 GRAD(Rho)z 0.7861861E-16 Laplacian 0.1898055E-01 (-1/4)Del**2(Rho)) -0.4745138E-02 Diamond 0.1310898E-03 Metallicity 0.5285746E+00 Ellipticity -0.7939481E-01 Gb(Abramov) 0.3581452E-02 Vb(Abramov) -0.2417766E-02 Hb(Abramov) 0.1163686E-02 Ex_ueg -0.6293516E-03 Ec_ueg -0.1463741E-03 Delta_ex -0.6543739E-03 Delta_ec 0.8194219E-04 Delta_et -0.6532522E-03 Pxc 0.4299611E+01 Qxc -0.7985799E+01 3,+3 87 3 -1 -1.997395 0.855546 3.002568 Rho 0.1273558E+00 |GRAD(Rho)| 0.2953512E-15 GRAD(Rho)x -0.2414586E-15 GRAD(Rho)y -0.1675634E-15 GRAD(Rho)z -0.2919892E-16 Laplacian 0.5031528E+00 (-1/4)Del**2(Rho)) -0.1257882E+00 Diamond 0.8372695E+00 Metallicity 0.4415141E+01 Ellipticity 0.3158981E-01 Gb(Abramov) 0.1764209E+00 Vb(Abramov) -0.2270536E+00 Hb(Abramov) -0.5063271E-01 Ex_ueg -0.4732349E-01 Ec_ueg -0.7010136E-02 Delta_ex -0.5192152E-01 Delta_ec 0.1327522E-01 Delta_et -0.1723464E+00 Pxc 0.6750724E+01 Qxc -0.3911159E+01 3,-1 88 3 +1 0.529291 -0.533146 -1.656454 Rho 0.8811593E-02 |GRAD(Rho)| 0.2405513E-16 GRAD(Rho)x -0.1353423E-16 GRAD(Rho)y -0.1424389E-16 GRAD(Rho)z 0.1387752E-16 Laplacian 0.3422705E-01 (-1/4)Del**2(Rho)) -0.8556763E-02 Diamond 0.9471519E-03 Metallicity 0.7568347E+00 Ellipticity -0.1460797E+01 Gb(Abramov) 0.6783851E-02 Vb(Abramov) -0.5010940E-02 Hb(Abramov) 0.1772912E-02 Ex_ueg -0.1344181E-02 Ec_ueg -0.3144573E-03 Delta_ex -0.1573433E-02 Delta_ec 0.4818922E-03 Delta_et -0.3314133E-02 Pxc 0.4274605E+01 Qxc -0.3265115E+01 3,+1 89 3 -1 -1.806502 0.552269 -2.787126 Rho 0.1298779E+00 |GRAD(Rho)| 0.2144513E-15 GRAD(Rho)x -0.1504466E-15 GRAD(Rho)y -0.1229485E-15 GRAD(Rho)z 0.9076805E-16 Laplacian 0.5434149E+00 (-1/4)Del**2(Rho)) -0.1358537E+00 Diamond 0.9259876E+00 Metallicity 0.4223836E+01 Ellipticity 0.9322212E-02 Gb(Abramov) 0.1862064E+00 Vb(Abramov) -0.2365592E+00 Hb(Abramov) -0.5035272E-01 Ex_ueg -0.4857715E-01 Ec_ueg -0.7168140E-02 Delta_ex -0.5634355E-01 Delta_ec 0.1427410E-01 Delta_et -0.1859170E+00 Pxc 0.6776814E+01 Qxc -0.3947258E+01 3,-1 90 3 +1 -1.259762 1.195975 2.187361 Rho 0.2823101E-01 |GRAD(Rho)| 0.8095198E-16 GRAD(Rho)x -0.4028274E-16 GRAD(Rho)y -0.1224077E-16 GRAD(Rho)z -0.6914252E-16 Laplacian 0.1159246E+00 (-1/4)Del**2(Rho)) -0.2898114E-01 Diamond 0.1972550E-01 Metallicity 0.1555900E+01 Ellipticity -0.9297172E+01 Gb(Abramov) 0.2683605E-01 Vb(Abramov) -0.2469097E-01 Hb(Abramov) 0.2145086E-02 Ex_ueg -0.6348732E-02 Ec_ueg -0.1252727E-02 Delta_ex -0.7615053E-02 Delta_ec 0.2264118E-02 Delta_et -0.2054103E-01 Pxc 0.5067929E+01 Qxc -0.3363365E+01 3,+1 91 3 -1 -1.990292 -3.039610 -0.886498 Rho 0.1131415E+00 |GRAD(Rho)| 0.2846147E-12 GRAD(Rho)x -0.1578793E-12 GRAD(Rho)y 0.9898071E-13 GRAD(Rho)z 0.2151336E-12 Laplacian 0.4661399E+00 (-1/4)Del**2(Rho)) -0.1165350E+00 Diamond 0.6951714E+00 Metallicity 0.3912610E+01 Ellipticity 0.6158725E-02 Gb(Abramov) 0.1536826E+00 Vb(Abramov) -0.1908303E+00 Hb(Abramov) -0.3714766E-01 Ex_ueg -0.4041545E-01 Ec_ueg -0.6127771E-02 Delta_ex -0.4708794E-01 Delta_ec 0.1322324E-01 Delta_et -0.1690423E+00 Pxc 0.6595458E+01 Qxc -0.3560999E+01 3,-1 92 3 -1 -1.807400 -2.812348 0.580858 Rho 0.1200991E+00 |GRAD(Rho)| 0.1044303E-13 GRAD(Rho)x 0.9125147E-14 GRAD(Rho)y 0.3558301E-14 GRAD(Rho)z 0.3623119E-14 Laplacian 0.5191423E+00 (-1/4)Del**2(Rho)) -0.1297856E+00 Diamond 0.8315946E+00 Metallicity 0.3880550E+01 Ellipticity 0.2016215E-01 Gb(Abramov) 0.1704636E+00 Vb(Abramov) -0.2111417E+00 Hb(Abramov) -0.4067804E-01 Ex_ueg -0.4376279E-01 Ec_ueg -0.6557914E-02 Delta_ex -0.5317970E-01 Delta_ec 0.1452267E-01 Delta_et -0.1877209E+00 Pxc 0.6673278E+01 Qxc -0.3661841E+01 3,-1 93 3 -1 -1.744167 -1.744769 -0.533061 Rho 0.4255264E-01 |GRAD(Rho)| 0.5169401E-16 GRAD(Rho)x -0.1681953E-16 GRAD(Rho)y -0.4176084E-16 GRAD(Rho)z 0.2540485E-16 Laplacian 0.1830132E+00 (-1/4)Del**2(Rho)) -0.4575331E-01 Diamond 0.7978003E-01 Metallicity 0.1952877E+01 Ellipticity 0.1337102E-01 Gb(Abramov) 0.4539397E-01 Vb(Abramov) -0.4503462E-01 Hb(Abramov) 0.3593425E-03 Ex_ueg -0.1097203E-01 Ec_ueg -0.2007547E-02 Delta_ex -0.1474997E-01 Delta_ec 0.5962417E-02 Delta_et -0.6032800E-01 Pxc 0.5465391E+01 Qxc -0.2473824E+01 3,-1 94 3 -1 -1.745563 1.742689 0.536088 Rho 0.4128235E-01 |GRAD(Rho)| 0.1791366E-14 GRAD(Rho)x -0.1228428E-14 GRAD(Rho)y 0.1178050E-14 GRAD(Rho)z -0.5587095E-15 Laplacian 0.1770338E+00 (-1/4)Del**2(Rho)) -0.4425844E-01 Diamond 0.7399350E-01 Metallicity 0.1919395E+01 Ellipticity 0.1409170E-01 Gb(Abramov) 0.4366387E-01 Vb(Abramov) -0.4306929E-01 Hb(Abramov) 0.5945734E-03 Ex_ueg -0.1053750E-01 Ec_ueg -0.1938987E-02 Delta_ex -0.1415922E-01 Delta_ec 0.5761888E-02 Delta_et -0.5781687E-01 Pxc 0.5434538E+01 Qxc -0.2457393E+01 3,-1 95 3 +1 -2.192041 1.427677 1.054947 Rho 0.2607361E-01 |GRAD(Rho)| 0.3635752E-16 GRAD(Rho)x 0.2026910E-16 GRAD(Rho)y -0.3008169E-16 GRAD(Rho)z 0.2474954E-17 Laplacian 0.1005695E+00 (-1/4)Del**2(Rho)) -0.2514238E-01 Diamond 0.1240620E-01 Metallicity 0.1570900E+01 Ellipticity -0.2544821E+01 Gb(Abramov) 0.2334429E-01 Vb(Abramov) -0.2154619E-01 Hb(Abramov) 0.1798099E-02 Ex_ueg -0.5710225E-02 Ec_ueg -0.1142919E-02 Delta_ex -0.6168394E-02 Delta_ec 0.1425877E-02 Delta_et -0.1277273E-01 Pxc 0.4996176E+01 Qxc -0.4326037E+01 3,+1 96 3 +3 0.026328 0.005854 2.339708 Rho 0.4532649E-02 |GRAD(Rho)| 0.8733245E-12 GRAD(Rho)x -0.1155310E-12 GRAD(Rho)y 0.8538639E-12 GRAD(Rho)z 0.1423538E-12 Laplacian 0.1835396E-01 (-1/4)Del**2(Rho)) -0.4588491E-02 Diamond 0.1597463E-03 Metallicity 0.4660905E+00 Ellipticity -0.2921781E+00 Gb(Abramov) 0.3415436E-02 Vb(Abramov) -0.2242381E-02 Hb(Abramov) 0.1173055E-02 Ex_ueg -0.5540146E-03 Ec_ueg -0.1268566E-03 Delta_ex -0.6675942E-03 Delta_ec 0.1709506E-03 Delta_et -0.1067552E-02 Pxc 0.4367252E+01 Qxc -0.3905189E+01 3,+3 97 3 -1 -1.820325 2.828133 -0.593881 Rho 0.1137855E+00 |GRAD(Rho)| 0.6858262E-12 GRAD(Rho)x -0.4989430E-12 GRAD(Rho)y -0.9186985E-13 GRAD(Rho)z 0.4614905E-12 Laplacian 0.4946494E+00 (-1/4)Del**2(Rho)) -0.1236623E+00 Diamond 0.7457848E+00 Metallicity 0.3722151E+01 Ellipticity 0.2153407E-01 Gb(Abramov) 0.1591565E+00 Vb(Abramov) -0.1946507E+00 Hb(Abramov) -0.3549420E-01 Ex_ueg -0.4072249E-01 Ec_ueg -0.6167442E-02 Delta_ex -0.5007812E-01 Delta_ec 0.1409220E-01 Delta_et -0.1804582E+00 Pxc 0.6602817E+01 Qxc -0.3553606E+01 3,-1 98 3 -1 -1.989756 3.036559 0.876405 Rho 0.1198900E+00 |GRAD(Rho)| 0.3963009E-15 GRAD(Rho)x -0.2476724E-15 GRAD(Rho)y -0.2336930E-15 GRAD(Rho)z -0.2027323E-15 Laplacian 0.4911817E+00 (-1/4)Del**2(Rho)) -0.1227954E+00 Diamond 0.7838119E+00 Metallicity 0.4089555E+01 Ellipticity 0.9291181E-02 Gb(Abramov) 0.1655600E+00 Vb(Abramov) -0.2083247E+00 Hb(Abramov) -0.4276463E-01 Ex_ueg -0.4366121E-01 Ec_ueg -0.6544935E-02 Delta_ex -0.5027670E-01 Delta_ec 0.1371369E-01 Delta_et -0.1771569E+00 Pxc 0.6670991E+01 Qxc -0.3666169E+01 3,-1 99 3 +1 -1.411146 -2.196042 -1.069790 Rho 0.2600445E-01 |GRAD(Rho)| 0.4057736E-16 GRAD(Rho)x -0.1563705E-16 GRAD(Rho)y -0.3573853E-16 GRAD(Rho)z -0.1116972E-16 Laplacian 0.9987128E-01 (-1/4)Del**2(Rho)) -0.2496782E-01 Diamond 0.1245323E-01 Metallicity 0.1574896E+01 Ellipticity -0.2670700E+01 Gb(Abramov) 0.2319883E-01 Vb(Abramov) -0.2142985E-01 Hb(Abramov) 0.1768987E-02 Ex_ueg -0.5690038E-02 Ec_ueg -0.1139418E-02 Delta_ex -0.6139475E-02 Delta_ec 0.1448783E-02 Delta_et -0.1296216E-01 Pxc 0.4993810E+01 Qxc -0.4237676E+01 3,+1 100 3 +3 0.002907 -0.005506 -2.290942 Rho 0.4819311E-02 |GRAD(Rho)| 0.1315454E-15 GRAD(Rho)x 0.8041007E-16 GRAD(Rho)y 0.3991696E-16 GRAD(Rho)z 0.9615123E-16 Laplacian 0.1977484E-01 (-1/4)Del**2(Rho)) -0.4943709E-02 Diamond 0.1762692E-03 Metallicity 0.4791541E+00 Ellipticity -0.3285780E+00 Gb(Abramov) 0.3690606E-02 Vb(Abramov) -0.2437503E-02 Hb(Abramov) 0.1253103E-02 Ex_ueg -0.6012176E-03 Ec_ueg -0.1391453E-03 Delta_ex -0.7201203E-03 Delta_ec 0.1654016E-03 Delta_et -0.1073994E-02 Pxc 0.4320789E+01 Qxc -0.4353768E+01 3,+3 101 3 +1 -0.533318 -0.542585 1.675704 Rho 0.8806183E-02 |GRAD(Rho)| 0.1194525E-12 GRAD(Rho)x 0.4193501E-13 GRAD(Rho)y 0.4452081E-13 GRAD(Rho)z -0.1026073E-12 Laplacian 0.3406742E-01 (-1/4)Del**2(Rho)) -0.8516855E-02 Diamond 0.9405028E-03 Metallicity 0.7596032E+00 Ellipticity -0.1463645E+01 Gb(Abramov) 0.6756142E-02 Vb(Abramov) -0.4995428E-02 Hb(Abramov) 0.1760713E-02 Ex_ueg -0.1343080E-02 Ec_ueg -0.3142147E-03 Delta_ex -0.1565221E-02 Delta_ec 0.4785202E-03 Delta_et -0.3291331E-02 Pxc 0.4274403E+01 Qxc -0.3270961E+01 3,+1 102 3 -1 -1.987626 -0.849375 -3.003719 Rho 0.1286360E+00 |GRAD(Rho)| 0.6904752E-13 GRAD(Rho)x -0.4294899E-13 GRAD(Rho)y 0.4856773E-13 GRAD(Rho)z 0.2375120E-13 Laplacian 0.5063600E+00 (-1/4)Del**2(Rho)) -0.1265900E+00 Diamond 0.8543764E+00 Metallicity 0.4460921E+01 Ellipticity 0.2787314E-01 Gb(Abramov) 0.1785113E+00 Vb(Abramov) -0.2304327E+00 Hb(Abramov) -0.5192133E-01 Ex_ueg -0.4795880E-01 Ec_ueg -0.7090283E-02 Delta_ex -0.5239770E-01 Delta_ec 0.1336262E-01 Delta_et -0.1738300E+00 Pxc 0.6764018E+01 Qxc -0.3921216E+01 3,-1 103 3 +1 2.169827 1.271179 -1.181744 Rho 0.2858467E-01 |GRAD(Rho)| 0.4699144E-16 GRAD(Rho)x -0.4155003E-16 GRAD(Rho)y -0.2170487E-16 GRAD(Rho)z 0.3269356E-17 Laplacian 0.1167623E+00 (-1/4)Del**2(Rho)) -0.2919058E-01 Diamond 0.1993618E-01 Metallicity 0.1577124E+01 Ellipticity -0.8083200E+01 Gb(Abramov) 0.2713325E-01 Vb(Abramov) -0.2507592E-01 Hb(Abramov) 0.2057334E-02 Ex_ueg -0.6454997E-02 Ec_ueg -0.1270837E-02 Delta_ex -0.7670332E-02 Delta_ec 0.2235940E-02 Delta_et -0.2035401E-01 Pxc 0.5079328E+01 Qxc -0.3430473E+01 3,+1 104 3 +1 -0.105817 0.138143 2.930955 Rho 0.5240889E-02 |GRAD(Rho)| 0.2967906E-16 GRAD(Rho)x -0.2317336E-16 GRAD(Rho)y 0.1848852E-16 GRAD(Rho)z 0.1419981E-17 Laplacian 0.2114709E-01 (-1/4)Del**2(Rho)) -0.5286772E-02 Diamond 0.5379574E-03 Metallicity 0.5152732E+00 Ellipticity -0.5021997E+01 Gb(Abramov) 0.3978537E-02 Vb(Abramov) -0.2670301E-02 Hb(Abramov) 0.1308235E-02 Ex_ueg -0.6723442E-03 Ec_ueg -0.1572939E-03 Delta_ex -0.1072023E-02 Delta_ec 0.6855243E-03 Delta_et -0.3768040E-02 Pxc 0.4274445E+01 Qxc -0.1563799E+01 3,+1 105 3 -1 -0.848332 -3.029101 -2.025954 Rho 0.1584170E+00 |GRAD(Rho)| 0.4488590E-13 GRAD(Rho)x 0.3245914E-13 GRAD(Rho)y 0.1743041E-13 GRAD(Rho)z -0.2563843E-13 Laplacian 0.6191494E+00 (-1/4)Del**2(Rho)) -0.1547873E+00 Diamond 0.1336417E+01 Metallicity 0.5162034E+01 Ellipticity 0.3393750E-01 Gb(Abramov) 0.2363612E+00 Vb(Abramov) -0.3179350E+00 Hb(Abramov) -0.8157381E-01 Ex_ueg -0.6330737E-01 Ec_ueg -0.8984485E-02 Delta_ex -0.6736169E-01 Delta_ec 0.1544104E-01 Delta_et -0.2069269E+00 Pxc 0.7046299E+01 Qxc -0.4362511E+01 3,-1 106 3 +1 -0.186377 -2.914384 -0.176357 Rho 0.5362486E-02 |GRAD(Rho)| 0.7198169E-14 GRAD(Rho)x -0.6851162E-14 GRAD(Rho)y -0.2125239E-14 GRAD(Rho)z -0.5988038E-15 Laplacian 0.2155647E-01 (-1/4)Del**2(Rho)) -0.5389118E-02 Diamond 0.5063248E-03 Metallicity 0.5251851E+00 Ellipticity -0.2446269E+01 Gb(Abramov) 0.4064459E-02 Vb(Abramov) -0.2739801E-02 Hb(Abramov) 0.1324658E-02 Ex_ueg -0.6932235E-03 Ec_ueg -0.1625452E-03 Delta_ex -0.1047524E-02 Delta_ec 0.6093619E-03 Delta_et -0.3407428E-02 Pxc 0.4264803E+01 Qxc -0.1719050E+01 3,+1 107 3 -1 -0.841737 3.021423 2.023484 Rho 0.1500035E+00 |GRAD(Rho)| 0.2070428E-15 GRAD(Rho)x -0.5651404E-17 GRAD(Rho)y -0.1423151E-15 GRAD(Rho)z 0.1502704E-15 Laplacian 0.5929559E+00 (-1/4)Del**2(Rho)) -0.1482390E+00 Diamond 0.1196626E+01 Metallicity 0.4921451E+01 Ellipticity 0.2702472E-01 Gb(Abramov) 0.2204178E+00 Vb(Abramov) -0.2925966E+00 Hb(Abramov) -0.7217880E-01 Ex_ueg -0.5886452E-01 Ec_ueg -0.8443738E-02 Delta_ex -0.6362811E-01 Delta_ec 0.1495506E-01 Delta_et -0.1988756E+00 Pxc 0.6971381E+01 Qxc -0.4254619E+01 3,-1 108 3 -1 -0.852340 1.997543 3.019806 Rho 0.1475832E+00 |GRAD(Rho)| 0.3546151E-15 GRAD(Rho)x -0.2469541E-15 GRAD(Rho)y -0.2361257E-15 GRAD(Rho)z 0.9492190E-16 Laplacian 0.5727830E+00 (-1/4)Del**2(Rho)) -0.1431957E+00 Diamond 0.1143257E+01 Metallicity 0.4958510E+01 Ellipticity 0.3915332E-01 Gb(Abramov) 0.2138034E+00 Vb(Abramov) -0.2844111E+00 Hb(Abramov) -0.7060767E-01 Ex_ueg -0.5760156E-01 Ec_ueg -0.8288983E-02 Delta_ex -0.6131691E-01 Delta_ec 0.1468120E-01 Delta_et -0.1951924E+00 Pxc 0.6949171E+01 Qxc -0.4176560E+01 3,-1 109 3 +1 0.143991 -2.913037 0.145986 Rho 0.5411394E-02 |GRAD(Rho)| 0.6363800E-17 GRAD(Rho)x 0.6322098E-17 GRAD(Rho)y -0.4914272E-18 GRAD(Rho)z 0.5362092E-18 Laplacian 0.2197664E-01 (-1/4)Del**2(Rho)) -0.5494159E-02 Diamond 0.5638036E-03 Metallicity 0.5229985E+00 Ellipticity -0.3709715E+01 Gb(Abramov) 0.4141679E-02 Vb(Abramov) -0.2789199E-02 Hb(Abramov) 0.1352480E-02 Ex_ueg -0.7016662E-03 Ec_ueg -0.1646595E-03 Delta_ex -0.1104387E-02 Delta_ec 0.6828030E-03 Delta_et -0.3800920E-02 Pxc 0.4261317E+01 Qxc -0.1617431E+01 3,+1 110 3 -1 -0.845944 -1.990795 -3.008678 Rho 0.1461573E+00 |GRAD(Rho)| 0.4775880E-13 GRAD(Rho)x 0.3389623E-13 GRAD(Rho)y -0.2825362E-13 GRAD(Rho)z 0.1826696E-13 Laplacian 0.5713548E+00 (-1/4)Del**2(Rho)) -0.1428387E+00 Diamond 0.1124041E+01 Metallicity 0.4891118E+01 Ellipticity 0.4116708E-01 Gb(Abramov) 0.2116660E+00 Vb(Abramov) -0.2804932E+00 Hb(Abramov) -0.6882726E-01 Ex_ueg -0.5686073E-01 Ec_ueg -0.8197981E-02 Delta_ex -0.6098640E-01 Delta_ec 0.1462176E-01 Delta_et -0.1940024E+00 Pxc 0.6935942E+01 Qxc -0.4170936E+01 3,-1 111 3 +3 -0.021642 -2.325329 -0.005532 Rho 0.4684035E-02 |GRAD(Rho)| 0.5230732E-15 GRAD(Rho)x 0.2694796E-15 GRAD(Rho)y 0.3852843E-15 GRAD(Rho)z 0.2292213E-15 Laplacian 0.1898350E-01 (-1/4)Del**2(Rho)) -0.4745875E-02 Diamond 0.1708926E-03 Metallicity 0.4759965E+00 Ellipticity -0.3026849E+00 Gb(Abramov) 0.3540420E-02 Vb(Abramov) -0.2334965E-02 Hb(Abramov) 0.1205455E-02 Ex_ueg -0.5788222E-03 Ec_ueg -0.1333410E-03 Delta_ex -0.6944164E-03 Delta_ec 0.1734358E-03 Delta_et -0.1096309E-02 Pxc 0.4340918E+01 Qxc -0.4003881E+01 3,+3 112 3 +1 1.139379 -2.186305 1.319159 Rho 0.2851138E-01 |GRAD(Rho)| 0.4811014E-16 GRAD(Rho)x 0.2068887E-16 GRAD(Rho)y -0.3352724E-16 GRAD(Rho)z 0.2761304E-16 Laplacian 0.1152932E+00 (-1/4)Del**2(Rho)) -0.2882331E-01 Diamond 0.1891877E-01 Metallicity 0.1590401E+01 Ellipticity -0.5618466E+01 Gb(Abramov) 0.2685564E-01 Vb(Abramov) -0.2488797E-01 Hb(Abramov) 0.1967668E-02 Ex_ueg -0.6432939E-02 Ec_ueg -0.1267081E-02 Delta_ex -0.7505134E-02 Delta_ec 0.2094343E-02 Delta_et -0.1906611E-01 Pxc 0.5076974E+01 Qxc -0.3583527E+01 3,+1 113 3 -1 -0.546388 -1.735380 -1.735320 Rho 0.4612788E-01 |GRAD(Rho)| 0.5284147E-16 GRAD(Rho)x -0.2602488E-16 GRAD(Rho)y 0.4204502E-16 GRAD(Rho)z 0.1863176E-16 Laplacian 0.1877911E+00 (-1/4)Del**2(Rho)) -0.4694777E-01 Diamond 0.8441917E-01 Metallicity 0.2177095E+01 Ellipticity 0.1345369E-01 Gb(Abramov) 0.4833347E-01 Vb(Abramov) -0.4971917E-01 Hb(Abramov) -0.1385700E-02 Ex_ueg -0.1221808E-01 Ec_ueg -0.2201982E-02 Delta_ex -0.1510486E-01 Delta_ec 0.5521915E-02 Delta_et -0.5699050E-01 Pxc 0.5548674E+01 Qxc -0.2735438E+01 3,-1 114 3 +3 -0.046177 2.342753 0.008528 Rho 0.4407235E-02 |GRAD(Rho)| 0.4465341E-12 GRAD(Rho)x 0.5485753E-13 GRAD(Rho)y 0.5833748E-13 GRAD(Rho)z 0.4392950E-12 Laplacian 0.1777564E-01 (-1/4)Del**2(Rho)) -0.4443910E-02 Diamond 0.1454524E-03 Metallicity 0.4592667E+00 Ellipticity -0.3172746E+00 Gb(Abramov) 0.3302763E-02 Vb(Abramov) -0.2161616E-02 Hb(Abramov) 0.1141147E-02 Ex_ueg -0.5336707E-03 Ec_ueg -0.1214936E-03 Delta_ex -0.6381315E-03 Delta_ec 0.1587355E-03 Delta_et -0.9940325E-03 Pxc 0.4392584E+01 Qxc -0.4020092E+01 3,+3 115 3 +1 0.186559 -0.145923 2.928714 Rho 0.5201854E-02 |GRAD(Rho)| 0.4876428E-16 GRAD(Rho)x 0.1784768E-16 GRAD(Rho)y -0.2386030E-16 GRAD(Rho)z 0.3860183E-16 Laplacian 0.2084103E-01 (-1/4)Del**2(Rho)) -0.5210256E-02 Diamond 0.4850761E-03 Metallicity 0.5163661E+00 Ellipticity -0.2723529E+01 Gb(Abramov) 0.3921904E-02 Vb(Abramov) -0.2633552E-02 Hb(Abramov) 0.1288352E-02 Ex_ueg -0.6656756E-03 Ec_ueg -0.1556097E-03 Delta_ex -0.1019939E-02 Delta_ec 0.6130215E-03 Delta_et -0.3386416E-02 Pxc 0.4277853E+01 Qxc -0.1663789E+01 3,+1 116 3 +1 1.689886 0.523099 0.562960 Rho 0.8211237E-02 |GRAD(Rho)| 0.9307473E-17 GRAD(Rho)x -0.2867981E-17 GRAD(Rho)y -0.6532262E-18 GRAD(Rho)z -0.8830461E-17 Laplacian 0.3136087E-01 (-1/4)Del**2(Rho)) -0.7840217E-02 Diamond 0.7854517E-03 Metallicity 0.7343549E+00 Ellipticity -0.1446632E+01 Gb(Abramov) 0.6186395E-02 Vb(Abramov) -0.4532573E-02 Hb(Abramov) 0.1653822E-02 Ex_ueg -0.1223479E-02 Ec_ueg -0.2876195E-03 Delta_ex -0.1414823E-02 Delta_ec 0.4391213E-03 Delta_et -0.2967627E-02 Pxc 0.4253811E+01 Qxc -0.3221941E+01 3,+1 117 3 -1 -0.482150 -0.476887 -0.470104 Rho 0.1856460E+00 |GRAD(Rho)| 0.3247595E-15 GRAD(Rho)x -0.2879641E-15 GRAD(Rho)y -0.9714451E-16 GRAD(Rho)z 0.1144917E-15 Laplacian 0.5074332E+00 (-1/4)Del**2(Rho)) -0.1268583E+00 Diamond 0.1353785E+01 Metallicity 0.8204336E+01 Ellipticity 0.5268105E-02 Gb(Abramov) 0.2580369E+00 Vb(Abramov) -0.3892155E+00 Hb(Abramov) -0.1311786E+00 Ex_ueg -0.7821663E-01 Ec_ueg -0.1076323E-01 Delta_ex -0.5765807E-01 Delta_ec 0.1252827E-01 Delta_et -0.1721407E+00 Pxc 0.7267023E+01 Qxc -0.4602236E+01 3,-1 118 3 -1 -0.016529 0.051947 2.932192 Rho 0.5245754E-02 |GRAD(Rho)| 0.1392690E-16 GRAD(Rho)x -0.1046118E-16 GRAD(Rho)y -0.9172642E-17 GRAD(Rho)z 0.6203665E-18 Laplacian 0.2078312E-01 (-1/4)Del**2(Rho)) -0.5195779E-02 Diamond 0.5786522E-03 Metallicity 0.5251086E+00 Ellipticity 0.5191880E+01 Gb(Abramov) 0.3918577E-02 Vb(Abramov) -0.2641376E-02 Hb(Abramov) 0.1277202E-02 Ex_ueg -0.6731766E-03 Ec_ueg -0.1575039E-03 Delta_ex -0.1096695E-02 Delta_ec 0.7503838E-03 Delta_et -0.4095759E-02 Pxc 0.4274031E+01 Qxc -0.1461513E+01 3,-1 119 3 -1 0.036962 0.021209 -2.931923 Rho 0.5820411E-02 |GRAD(Rho)| 0.7577675E-15 GRAD(Rho)x 0.3954158E-15 GRAD(Rho)y 0.5360763E-15 GRAD(Rho)z 0.3612202E-15 Laplacian 0.2331271E-01 (-1/4)Del**2(Rho)) -0.5828178E-02 Diamond 0.7681132E-03 Metallicity 0.5566853E+00 Ellipticity 0.2294205E+01 Gb(Abramov) 0.4426195E-02 Vb(Abramov) -0.3024213E-02 Hb(Abramov) 0.1401982E-02 Ex_ueg -0.7732559E-03 Ec_ueg -0.1823875E-03 Delta_ex -0.1270706E-02 Delta_ec 0.8711127E-03 Delta_et -0.4897076E-02 Pxc 0.4239632E+01 Qxc -0.1458716E+01 3,-1 120 3 -1 -0.542930 1.732352 1.748641 Rho 0.4417493E-01 |GRAD(Rho)| 0.1243028E-13 GRAD(Rho)x 0.4243148E-14 GRAD(Rho)y 0.8252592E-14 GRAD(Rho)z 0.8270571E-14 Laplacian 0.1791228E+00 (-1/4)Del**2(Rho)) -0.4478071E-01 Diamond 0.7572351E-01 Metallicity 0.2123678E+01 Ellipticity 0.1713016E-01 Gb(Abramov) 0.4570378E-01 Vb(Abramov) -0.4662684E-01 Hb(Abramov) -0.9230652E-03 Ex_ueg -0.1153328E-01 Ec_ueg -0.2095510E-02 Delta_ex -0.1424216E-01 Delta_ec 0.5250625E-02 Delta_et -0.5357132E-01 Pxc 0.5503807E+01 Qxc -0.2712469E+01 3,-1 121 3 -1 -0.481219 0.461327 0.481256 Rho 0.1863336E+00 |GRAD(Rho)| 0.5678910E-12 GRAD(Rho)x 0.3413901E-12 GRAD(Rho)y -0.2964295E-12 GRAD(Rho)z -0.3436314E-12 Laplacian 0.5096935E+00 (-1/4)Del**2(Rho)) -0.1274234E+00 Diamond 0.1365730E+01 Metallicity 0.8218440E+01 Ellipticity 0.4263968E-02 Gb(Abramov) 0.2594858E+00 Vb(Abramov) -0.3915482E+00 Hb(Abramov) -0.1320624E+00 Ex_ueg -0.7860315E-01 Ec_ueg -0.1080870E-01 Delta_ex -0.5796774E-01 Delta_ec 0.1257004E-01 Delta_et -0.1727774E+00 Pxc 0.7272210E+01 Qxc -0.4611579E+01 3,-1 122 3 +1 0.514951 1.679649 0.550919 Rho 0.8491645E-02 |GRAD(Rho)| 0.8560469E-17 GRAD(Rho)x -0.4455769E-17 GRAD(Rho)y -0.2793819E-18 GRAD(Rho)z 0.7304088E-17 Laplacian 0.3293663E-01 (-1/4)Del**2(Rho)) -0.8234157E-02 Diamond 0.8614314E-03 Metallicity 0.7394698E+00 Ellipticity -0.1440306E+01 Gb(Abramov) 0.6504256E-02 Vb(Abramov) -0.4774356E-02 Hb(Abramov) 0.1729900E-02 Ex_ueg -0.1279502E-02 Ec_ueg -0.3001347E-03 Delta_ex -0.1497611E-02 Delta_ec 0.4594662E-03 Delta_et -0.3133473E-02 Pxc 0.4263092E+01 Qxc -0.3259458E+01 3,+1 123 3 +3 1.128484 1.108967 1.113544 Rho 0.5005197E-02 |GRAD(Rho)| 0.8652214E-15 GRAD(Rho)x 0.2877663E-16 GRAD(Rho)y 0.1262089E-15 GRAD(Rho)z 0.8554830E-15 Laplacian 0.1905184E-01 (-1/4)Del**2(Rho)) -0.4762959E-02 Diamond 0.1328260E-03 Metallicity 0.5297183E+00 Ellipticity -0.1844369E+00 Gb(Abramov) 0.3595810E-02 Vb(Abramov) -0.2428662E-02 Hb(Abramov) 0.1167149E-02 Ex_ueg -0.6323341E-03 Ec_ueg -0.1471365E-03 Delta_ex -0.6580385E-03 Delta_ec 0.8324828E-04 Delta_et -0.6611194E-03 Pxc 0.4297603E+01 Qxc -0.7904529E+01 3,+3 124 3 -1 -0.559787 1.796028 -2.791092 Rho 0.1454006E+00 |GRAD(Rho)| 0.2504131E-15 GRAD(Rho)x 0.2392292E-15 GRAD(Rho)y 0.5881797E-16 GRAD(Rho)z 0.4490630E-16 Laplacian 0.6063115E+00 (-1/4)Del**2(Rho)) -0.1515779E+00 Diamond 0.1178846E+01 Metallicity 0.4569417E+01 Ellipticity 0.1039110E-01 Gb(Abramov) 0.2164890E+00 Vb(Abramov) -0.2814002E+00 Hb(Abramov) -0.6491113E-01 Ex_ueg -0.5646853E-01 Ec_ueg -0.8149737E-02 Delta_ex -0.6456747E-01 Delta_ec 0.1541471E-01 Delta_et -0.2041028E+00 Pxc 0.6928878E+01 Qxc -0.4188692E+01 3,-1 125 3 +3 1.110459 -1.102177 -1.106040 Rho 0.5262541E-02 |GRAD(Rho)| 0.2527723E-14 GRAD(Rho)x 0.1863478E-14 GRAD(Rho)y -0.1273507E-14 GRAD(Rho)z -0.1137986E-14 Laplacian 0.2054057E-01 (-1/4)Del**2(Rho)) -0.5135142E-02 Diamond 0.1531648E-03 Metallicity 0.5341459E+00 Ellipticity -0.7182049E-01 Gb(Abramov) 0.3880581E-02 Vb(Abramov) -0.2626019E-02 Hb(Abramov) 0.1254562E-02 Ex_ueg -0.6760504E-03 Ec_ueg -0.1582285E-03 Delta_ex -0.7192282E-03 Delta_ec 0.8940005E-04 Delta_et -0.7170461E-03 Pxc 0.4272622E+01 Qxc -0.8045054E+01 3,+3 126 3 +1 1.158289 1.290323 -2.168790 Rho 0.2809033E-01 |GRAD(Rho)| 0.4181053E-14 GRAD(Rho)x 0.5206091E-15 GRAD(Rho)y 0.3863169E-14 GRAD(Rho)z 0.1511984E-14 Laplacian 0.1134083E+00 (-1/4)Del**2(Rho)) -0.2835208E-01 Diamond 0.1850277E-01 Metallicity 0.1577235E+01 Ellipticity -0.6262313E+01 Gb(Abramov) 0.2635436E-01 Vb(Abramov) -0.2435665E-01 Hb(Abramov) 0.1997713E-02 Ex_ueg -0.6306583E-02 Ec_ueg -0.1245531E-02 Delta_ex -0.7378368E-02 Delta_ec 0.2104986E-02 Delta_et -0.1908710E-01 Pxc 0.5063367E+01 Qxc -0.3505186E+01 3,+1 127 3 -1 0.027698 -2.915881 0.032419 Rho 0.5423551E-02 |GRAD(Rho)| 0.1355032E-16 GRAD(Rho)x -0.8422700E-17 GRAD(Rho)y -0.8704451E-18 GRAD(Rho)z 0.1057882E-16 Laplacian 0.2147229E-01 (-1/4)Del**2(Rho)) -0.5368071E-02 Diamond 0.6272384E-03 Metallicity 0.5372887E+00 Ellipticity 0.3633321E+01 Gb(Abramov) 0.4059415E-02 Vb(Abramov) -0.2750759E-02 Hb(Abramov) 0.1308656E-02 Ex_ueg -0.7037688E-03 Ec_ueg -0.1651852E-03 Delta_ex -0.1141761E-02 Delta_ec 0.7782640E-03 Delta_et -0.4290138E-02 Pxc 0.4260483E+01 Qxc -0.1467061E+01 3,-1 128 3 -1 -0.557524 -2.791880 1.835731 Rho 0.1516462E+00 |GRAD(Rho)| 0.4520643E-13 GRAD(Rho)x -0.4334577E-13 GRAD(Rho)y 0.1213810E-13 GRAD(Rho)z 0.4175235E-14 Laplacian 0.6341057E+00 (-1/4)Del**2(Rho)) -0.1585264E+00 Diamond 0.1294173E+01 Metallicity 0.4686382E+01 Ellipticity 0.8283708E-02 Gb(Abramov) 0.2295035E+00 Vb(Abramov) -0.3004806E+00 Hb(Abramov) -0.7097708E-01 Ex_ueg -0.5972561E-01 Ec_ueg -0.8548981E-02 Delta_ex -0.6820349E-01 Delta_ec 0.1590838E-01 Delta_et -0.2117712E+00 Pxc 0.6986285E+01 Qxc -0.4287268E+01 3,-1 129 3 -1 -0.077409 -3.209780 3.226141 Rho 0.2422597E+00 |GRAD(Rho)| 0.3539973E-15 GRAD(Rho)x -0.5908902E-17 GRAD(Rho)y -0.3501973E-15 GRAD(Rho)z -0.5139118E-16 Laplacian 0.8839664E+00 (-1/4)Del**2(Rho)) -0.2209916E+00 Diamond 0.3155174E+01 Metallicity 0.7339156E+01 Ellipticity 0.4495773E-02 Gb(Abramov) 0.4176430E+00 Vb(Abramov) -0.6142945E+00 Hb(Abramov) -0.1966514E+00 Ex_ueg -0.1115390E+00 Ec_ueg -0.1459546E-01 Delta_ex -0.1070281E+00 Delta_ec 0.1941105E-01 Delta_et -0.2686814E+00 Pxc 0.7642032E+01 Qxc -0.5513774E+01 3,-1 130 3 +1 1.427998 -1.055735 2.181670 Rho 0.2643134E-01 |GRAD(Rho)| 0.1491227E-16 GRAD(Rho)x -0.1424032E-16 GRAD(Rho)y -0.3978302E-17 GRAD(Rho)z -0.1939661E-17 Laplacian 0.1023293E+00 (-1/4)Del**2(Rho)) -0.2558232E-01 Diamond 0.1315209E-01 Metallicity 0.1579351E+01 Ellipticity -0.2728432E+01 Gb(Abramov) 0.2378879E-01 Vb(Abramov) -0.2199526E-01 Hb(Abramov) 0.1793529E-02 Ex_ueg -0.5814924E-02 Ec_ueg -0.1161047E-02 Delta_ex -0.6328984E-02 Delta_ec 0.1502805E-02 Delta_et -0.1349132E-01 Pxc 0.5008346E+01 Qxc -0.4211446E+01 3,+1 131 3 -1 -0.563718 -1.799275 2.803433 Rho 0.1461664E+00 |GRAD(Rho)| 0.4331367E-15 GRAD(Rho)x -0.3634110E-15 GRAD(Rho)y 0.1942619E-15 GRAD(Rho)z -0.1334246E-15 Laplacian 0.6046342E+00 (-1/4)Del**2(Rho)) -0.1511585E+00 Diamond 0.1185087E+01 Metallicity 0.4622389E+01 Ellipticity 0.1191130E-01 Gb(Abramov) 0.2172246E+00 Vb(Abramov) -0.2832907E+00 Hb(Abramov) -0.6606608E-01 Ex_ueg -0.5686546E-01 Ec_ueg -0.8198563E-02 Delta_ex -0.6449307E-01 Delta_ec 0.1539007E-01 Delta_et -0.2040141E+00 Pxc 0.6936027E+01 Qxc -0.4190564E+01 3,-1 132 3 -1 -0.571220 2.809278 -1.843154 Rho 0.1599239E+00 |GRAD(Rho)| 0.9485423E-15 GRAD(Rho)x 0.1353355E-15 GRAD(Rho)y -0.1176427E-15 GRAD(Rho)z -0.9314381E-15 Laplacian 0.6633624E+00 (-1/4)Del**2(Rho)) -0.1658406E+00 Diamond 0.1443302E+01 Metallicity 0.4894606E+01 Ellipticity 0.9244658E-02 Gb(Abramov) 0.2458478E+00 Vb(Abramov) -0.3258550E+00 Hb(Abramov) -0.8000720E-01 Ex_ueg -0.6411152E-01 Ec_ueg -0.9081781E-02 Delta_ex -0.7229654E-01 Delta_ec 0.1642372E-01 Delta_et -0.2201582E+00 Pxc 0.7059356E+01 Qxc -0.4401959E+01 3,-1 133 3 -1 -0.063090 3.192162 -3.237202 Rho 0.2427723E+00 |GRAD(Rho)| 0.8906266E-16 GRAD(Rho)x 0.2943609E-16 GRAD(Rho)y -0.5323433E-16 GRAD(Rho)z -0.6505213E-16 Laplacian 0.8850759E+00 (-1/4)Del**2(Rho)) -0.2212690E+00 Diamond 0.3167724E+01 Metallicity 0.7355822E+01 Ellipticity 0.1287690E-02 Gb(Abramov) 0.4187818E+00 Vb(Abramov) -0.6162947E+00 Hb(Abramov) -0.1975129E+00 Ex_ueg -0.1118538E+00 Ec_ueg -0.1463096E-01 Delta_ex -0.1072246E+00 Delta_ec 0.1942823E-01 Delta_et -0.2689589E+00 Pxc 0.7645002E+01 Qxc -0.5519011E+01 3,-1 134 3 -1 0.063736 3.216547 3.236290 Rho 0.2427434E+00 |GRAD(Rho)| 0.1502063E-14 GRAD(Rho)x -0.3346932E-15 GRAD(Rho)y -0.1013837E-14 GRAD(Rho)z -0.1056555E-14 Laplacian 0.8838108E+00 (-1/4)Del**2(Rho)) -0.2209527E+00 Diamond 0.3164140E+01 Metallicity 0.7364890E+01 Ellipticity 0.5182125E-02 Gb(Abramov) 0.4185172E+00 Vb(Abramov) -0.6160817E+00 Hb(Abramov) -0.1975645E+00 Ex_ueg -0.1118360E+00 Ec_ueg -0.1462896E-01 Delta_ex -0.1070753E+00 Delta_ec 0.1941422E-01 Delta_et -0.2688228E+00 Pxc 0.7644835E+01 Qxc -0.5515303E+01 3,-1 135 3 +1 1.239647 2.171096 -1.215491 Rho 0.2882131E-01 |GRAD(Rho)| 0.2676570E-10 GRAD(Rho)x -0.1980945E-10 GRAD(Rho)y -0.6987038E-11 GRAD(Rho)z -0.1658823E-10 Laplacian 0.1191980E+00 (-1/4)Del**2(Rho)) -0.2979951E-01 Diamond 0.2109516E-01 Metallicity 0.1566271E+01 Ellipticity -0.1188029E+02 Gb(Abramov) 0.2764536E-01 Vb(Abramov) -0.2549121E-01 Hb(Abramov) 0.2154151E-02 Ex_ueg -0.6526346E-02 Ec_ueg -0.1282971E-02 Delta_ex -0.7893351E-02 Delta_ec 0.2364576E-02 Delta_et -0.2156034E-01 Pxc 0.5086901E+01 Qxc -0.3338168E+01 3,+1 136 3 -1 1.746528 -0.536507 1.743755 Rho 0.4111544E-01 |GRAD(Rho)| 0.3910627E-16 GRAD(Rho)x 0.1843864E-16 GRAD(Rho)y 0.2532459E-16 GRAD(Rho)z 0.2340903E-16 Laplacian 0.1767821E+00 (-1/4)Del**2(Rho)) -0.4419552E-01 Diamond 0.7351446E-01 Metallicity 0.1909193E+01 Ellipticity 0.1370043E-01 Gb(Abramov) 0.4352665E-01 Vb(Abramov) -0.4285777E-01 Hb(Abramov) 0.6688775E-03 Ex_ueg -0.1048073E-01 Ec_ueg -0.1930000E-02 Delta_ex -0.1412691E-01 Delta_ec 0.5756986E-02 Delta_et -0.5770397E-01 Pxc 0.5430431E+01 Qxc -0.2453873E+01 3,-1 137 3 -1 0.467536 -0.483671 0.476275 Rho 0.1859730E+00 |GRAD(Rho)| 0.3015826E-15 GRAD(Rho)x -0.1526557E-15 GRAD(Rho)y 0.1804112E-15 GRAD(Rho)z -0.1873501E-15 Laplacian 0.5088327E+00 (-1/4)Del**2(Rho)) -0.1272082E+00 Diamond 0.1360336E+01 Metallicity 0.8205805E+01 Ellipticity 0.4418183E-02 Gb(Abramov) 0.2587797E+00 Vb(Abramov) -0.3903512E+00 Hb(Abramov) -0.1315715E+00 Ex_ueg -0.7840037E-01 Ec_ueg -0.1078485E-01 Delta_ex -0.5784226E-01 Delta_ec 0.1255629E-01 Delta_et -0.1725559E+00 Pxc 0.7269492E+01 Qxc -0.4606637E+01 3,-1 138 3 +3 2.330422 -0.001075 0.030181 Rho 0.4546544E-02 |GRAD(Rho)| 0.7902271E-17 GRAD(Rho)x -0.4505142E-17 GRAD(Rho)y 0.6327808E-17 GRAD(Rho)z -0.1452041E-17 Laplacian 0.1836972E-01 (-1/4)Del**2(Rho)) -0.4592431E-02 Diamond 0.1561583E-03 Metallicity 0.4680722E+00 Ellipticity -0.3135692E+00 Gb(Abramov) 0.3419885E-02 Vb(Abramov) -0.2247340E-02 Hb(Abramov) 0.1172545E-02 Ex_ueg -0.5562802E-03 Ec_ueg -0.1274512E-03 Delta_ex -0.6640611E-03 Delta_ec 0.1628344E-03 Delta_et -0.1029018E-02 Pxc 0.4364651E+01 Qxc -0.4078138E+01 3,+3 139 3 +1 1.774135 1.778379 1.744416 Rho 0.1193773E-01 |GRAD(Rho)| 0.1783601E-16 GRAD(Rho)x 0.1590580E-17 GRAD(Rho)y -0.1274333E-16 GRAD(Rho)z 0.1237743E-16 Laplacian 0.5841538E-01 (-1/4)Del**2(Rho)) -0.1460384E-01 Diamond 0.2275702E-02 Metallicity 0.7355665E+00 Ellipticity -0.1257173E+01 Gb(Abramov) 0.1152625E-01 Vb(Abramov) -0.8448648E-02 Hb(Abramov) 0.3077598E-02 Ex_ueg -0.2015025E-02 Ec_ueg -0.4566950E-03 Delta_ex -0.2853361E-02 Delta_ec 0.7331012E-03 Delta_et -0.5509410E-02 Pxc 0.4412191E+01 Qxc -0.3892179E+01 3,+1 140 3 +1 0.188215 0.173352 -2.928380 Rho 0.5784509E-02 |GRAD(Rho)| 0.1212387E-15 GRAD(Rho)x 0.7926670E-16 GRAD(Rho)y 0.8694299E-16 GRAD(Rho)z 0.2926660E-16 Laplacian 0.2395928E-01 (-1/4)Del**2(Rho)) -0.5989819E-02 Diamond 0.6453004E-03 Metallicity 0.5361055E+00 Ellipticity -0.2745141E+01 Gb(Abramov) 0.4528409E-02 Vb(Abramov) -0.3066998E-02 Hb(Abramov) 0.1461411E-02 Ex_ueg -0.7669029E-03 Ec_ueg -0.1808281E-03 Delta_ex -0.1199263E-02 Delta_ec 0.7074684E-03 Delta_et -0.4032425E-02 Pxc 0.4241061E+01 Qxc -0.1695147E+01 3,+1 141 3 -1 0.463925 0.467082 -0.459724 Rho 0.1838880E+00 |GRAD(Rho)| 0.4052699E-12 GRAD(Rho)x -0.2209795E-12 GRAD(Rho)y -0.2209725E-12 GRAD(Rho)z 0.2580366E-12 Laplacian 0.4980759E+00 (-1/4)Del**2(Rho)) -0.1245190E+00 Diamond 0.1317702E+01 Metallicity 0.8226974E+01 Ellipticity 0.1123777E-02 Gb(Abramov) 0.2537484E+00 Vb(Abramov) -0.3829778E+00 Hb(Abramov) -0.1292294E+00 Ex_ueg -0.7723066E-01 Ec_ueg -0.1064710E-01 Delta_ex -0.5648993E-01 Delta_ec 0.1238190E-01 Delta_et -0.1701155E+00 Pxc 0.7253682E+01 Qxc -0.4562299E+01 3,-1 142 3 +1 1.662921 -0.534733 -0.530265 Rho 0.8768029E-02 |GRAD(Rho)| 0.9738400E-13 GRAD(Rho)x -0.6958983E-13 GRAD(Rho)y 0.6391271E-13 GRAD(Rho)z 0.2358100E-13 Laplacian 0.3408468E-01 (-1/4)Del**2(Rho)) -0.8521169E-02 Diamond 0.9305205E-03 Metallicity 0.7537442E+00 Ellipticity -0.1450014E+01 Gb(Abramov) 0.6751243E-02 Vb(Abramov) -0.4981317E-02 Hb(Abramov) 0.1769926E-02 Ex_ueg -0.1335327E-02 Ec_ueg -0.3125045E-03 Delta_ex -0.1562136E-02 Delta_ec 0.4749172E-03 Delta_et -0.3266022E-02 Pxc 0.4272986E+01 Qxc -0.3289280E+01 3,+1 143 3 -1 0.528992 -1.733598 1.743625 Rho 0.4587924E-01 |GRAD(Rho)| 0.7082030E-16 GRAD(Rho)x 0.3197041E-16 GRAD(Rho)y -0.4006720E-16 GRAD(Rho)z 0.4886745E-16 Laplacian 0.1865004E+00 (-1/4)Del**2(Rho)) -0.4662509E-01 Diamond 0.8328878E-01 Metallicity 0.2172503E+01 Ellipticity 0.1980723E-01 Gb(Abramov) 0.4796559E-01 Vb(Abramov) -0.4930609E-01 Hb(Abramov) -0.1340498E-02 Ex_ueg -0.1213035E-01 Ec_ueg -0.2188392E-02 Delta_ex -0.1498379E-01 Delta_ec 0.5489679E-02 Delta_et -0.5657837E-01 Pxc 0.5543042E+01 Qxc -0.2729447E+01 3,-1 144 3 -1 0.554593 -2.773200 -1.811979 Rho 0.1417919E+00 |GRAD(Rho)| 0.2342692E-14 GRAD(Rho)x -0.1244420E-14 GRAD(Rho)y 0.1462318E-15 GRAD(Rho)z -0.1979455E-14 Laplacian 0.5915860E+00 (-1/4)Del**2(Rho)) -0.1478965E+00 Diamond 0.1119333E+01 Metallicity 0.4491048E+01 Ellipticity 0.1066307E-01 Gb(Abramov) 0.2092994E+00 Vb(Abramov) -0.2707023E+00 Hb(Abramov) -0.6140288E-01 Ex_ueg -0.5460767E-01 Ec_ueg -0.7920166E-02 Delta_ex -0.6264879E-01 Delta_ec 0.1519729E-01 Delta_et -0.2006273E+00 Pxc 0.6894763E+01 Qxc -0.4122366E+01 3,-1 145 3 -1 0.563964 1.839808 2.799465 Rho 0.1523872E+00 |GRAD(Rho)| 0.2630477E-13 GRAD(Rho)x -0.2529834E-13 GRAD(Rho)y -0.1588004E-14 GRAD(Rho)z 0.7029459E-14 Laplacian 0.6384965E+00 (-1/4)Del**2(Rho)) -0.1596241E+00 Diamond 0.1310413E+01 Metallicity 0.4692118E+01 Ellipticity 0.8831846E-02 Gb(Abramov) 0.2312453E+00 Vb(Abramov) -0.3028664E+00 Hb(Abramov) -0.7162116E-01 Ex_ueg -0.6011504E-01 Ec_ueg -0.8596506E-02 Delta_ex -0.6875474E-01 Delta_ec 0.1599250E-01 Delta_et -0.2130152E+00 Pxc 0.6992962E+01 Qxc -0.4299188E+01 3,-1 146 3 -1 0.850552 1.982248 -2.999043 Rho 0.1299758E+00 |GRAD(Rho)| 0.2878756E-15 GRAD(Rho)x -0.2593276E-15 GRAD(Rho)y 0.1034126E-15 GRAD(Rho)z 0.7019531E-16 Laplacian 0.5151436E+00 (-1/4)Del**2(Rho)) -0.1287859E+00 Diamond 0.8792618E+00 Metallicity 0.4461243E+01 Ellipticity 0.3043077E-01 Gb(Abramov) 0.1816148E+00 Vb(Abramov) -0.2344437E+00 Hb(Abramov) -0.5282890E-01 Ex_ueg -0.4862600E-01 Ec_ueg -0.7174285E-02 Delta_ex -0.5342985E-01 Delta_ec 0.1354312E-01 Delta_et -0.1764439E+00 Pxc 0.6777819E+01 Qxc -0.3945167E+01 3,-1 147 3 -1 0.522397 1.733035 -1.728022 Rho 0.4508184E-01 |GRAD(Rho)| 0.4331075E-16 GRAD(Rho)x 0.4288104E-17 GRAD(Rho)y -0.8544868E-17 GRAD(Rho)z 0.4224238E-16 Laplacian 0.1825069E+00 (-1/4)Del**2(Rho)) -0.4562674E-01 Diamond 0.7949625E-01 Metallicity 0.2156105E+01 Ellipticity 0.1383597E-01 Gb(Abramov) 0.4681383E-01 Vb(Abramov) -0.4800092E-01 Hb(Abramov) -0.1187092E-02 Ex_ueg -0.1185006E-01 Ec_ueg -0.2144876E-02 Delta_ex -0.1459423E-01 Delta_ec 0.5364959E-02 Delta_et -0.5503604E-01 Pxc 0.5524824E+01 Qxc -0.2720288E+01 3,-1 148 3 -1 0.557422 2.801218 1.814782 Rho 0.1263929E+00 |GRAD(Rho)| 0.3264158E-13 GRAD(Rho)x 0.2639829E-14 GRAD(Rho)y -0.1636441E-13 GRAD(Rho)z -0.2811957E-13 Laplacian 0.5226323E+00 (-1/4)Del**2(Rho)) -0.1306581E+00 Diamond 0.8632972E+00 Metallicity 0.4197151E+01 Ellipticity 0.1250738E-01 Gb(Abramov) 0.1785040E+00 Vb(Abramov) -0.2263499E+00 Hb(Abramov) -0.4784592E-01 Ex_ueg -0.4684701E-01 Ec_ueg -0.6949920E-02 Delta_ex -0.5385226E-01 Delta_ec 0.1384777E-01 Delta_et -0.1796135E+00 Pxc 0.6740654E+01 Qxc -0.3888877E+01 3,-1 149 3 -1 0.848076 2.987952 -2.011455 Rho 0.1426136E+00 |GRAD(Rho)| 0.2104800E-13 GRAD(Rho)x -0.1612904E-13 GRAD(Rho)y -0.6205648E-14 GRAD(Rho)z -0.1201509E-13 Laplacian 0.5570542E+00 (-1/4)Del**2(Rho)) -0.1392635E+00 Diamond 0.1065668E+01 Metallicity 0.4815601E+01 Ellipticity 0.3483661E-01 Gb(Abramov) 0.2046153E+00 Vb(Abramov) -0.2699671E+00 Hb(Abramov) -0.6535177E-01 Ex_ueg -0.5503001E-01 Ec_ueg -0.7972366E-02 Delta_ex -0.5912131E-01 Delta_ec 0.1437236E-01 Delta_et -0.1900759E+00 Pxc 0.6902594E+01 Qxc -0.4113541E+01 3,-1 150 3 -1 1.805465 -2.772057 -0.555796 Rho 0.1335752E+00 |GRAD(Rho)| 0.3337105E-15 GRAD(Rho)x 0.1358099E-15 GRAD(Rho)y 0.6423898E-16 GRAD(Rho)z 0.2979794E-15 Laplacian 0.5649106E+00 (-1/4)Del**2(Rho)) -0.1412276E+00 Diamond 0.9937158E+00 Metallicity 0.4257713E+01 Ellipticity 0.9289799E-02 Gb(Abramov) 0.1943696E+00 Vb(Abramov) -0.2475115E+00 Hb(Abramov) -0.5314191E-01 Ex_ueg -0.5042966E-01 Ec_ueg -0.7400531E-02 Delta_ex -0.5894846E-01 Delta_ec 0.1469936E-01 Delta_et -0.1922415E+00 Pxc 0.6814330E+01 Qxc -0.4010273E+01 3,-1 151 3 +1 1.750978 -1.740444 -1.747045 Rho 0.1250168E-01 |GRAD(Rho)| 0.1525633E-16 GRAD(Rho)x -0.8779885E-17 GRAD(Rho)y -0.1238515E-16 GRAD(Rho)z 0.1509074E-17 Laplacian 0.6295729E-01 (-1/4)Del**2(Rho)) -0.1573932E-01 Diamond 0.2629802E-02 Metallicity 0.7370801E+00 Ellipticity -0.1244520E+01 Gb(Abramov) 0.1242640E-01 Vb(Abramov) -0.9113488E-02 Hb(Abramov) 0.3312917E-02 Ex_ueg -0.2142939E-02 Ec_ueg -0.4827777E-03 Delta_ex -0.3117706E-02 Delta_ec 0.7982764E-03 Delta_et -0.6060091E-02 Pxc 0.4438769E+01 Qxc -0.3905547E+01 3,+1 152 3 +1 2.194219 -1.050595 1.422268 Rho 0.2587454E-01 |GRAD(Rho)| 0.5959309E-16 GRAD(Rho)x 0.7995486E-17 GRAD(Rho)y 0.3947141E-16 GRAD(Rho)z 0.4392512E-16 Laplacian 0.9945632E-01 (-1/4)Del**2(Rho)) -0.2486408E-01 Diamond 0.1198107E-01 Metallicity 0.1568321E+01 Ellipticity -0.2459804E+01 Gb(Abramov) 0.2307520E-01 Vb(Abramov) -0.2128632E-01 Hb(Abramov) 0.1788882E-02 Ex_ueg -0.5652169E-02 Ec_ueg -0.1132846E-02 Delta_ex -0.6070849E-02 Delta_ec 0.1380737E-02 Delta_et -0.1235427E-01 Pxc 0.4989354E+01 Qxc -0.4396818E+01 3,+1 153 3 -1 1.801675 2.800084 0.569344 Rho 0.1484953E+00 |GRAD(Rho)| 0.3156925E-15 GRAD(Rho)x 0.1369618E-15 GRAD(Rho)y -0.6666488E-16 GRAD(Rho)z -0.2765122E-15 Laplacian 0.6204341E+00 (-1/4)Del**2(Rho)) -0.1551085E+00 Diamond 0.1235026E+01 Metallicity 0.4624933E+01 Ellipticity 0.1509727E-01 Gb(Abramov) 0.2229668E+00 Vb(Abramov) -0.2908250E+00 Hb(Abramov) -0.6785824E-01 Ex_ueg -0.5807672E-01 Ec_ueg -0.8347262E-02 Delta_ex -0.6639177E-01 Delta_ec 0.1565237E-01 Delta_et -0.2077771E+00 Pxc 0.6957577E+01 Qxc -0.4241644E+01 3,-1 154 3 -1 0.558796 -1.805219 -2.777133 Rho 0.1310086E+00 |GRAD(Rho)| 0.3535578E-13 GRAD(Rho)x 0.2268612E-14 GRAD(Rho)y 0.3025314E-13 GRAD(Rho)z 0.1815576E-13 Laplacian 0.5518056E+00 (-1/4)Del**2(Rho)) -0.1379514E+00 Diamond 0.9508199E+00 Metallicity 0.4220137E+01 Ellipticity 0.9022369E-02 Gb(Abramov) 0.1889966E+00 Vb(Abramov) -0.2400417E+00 Hb(Abramov) -0.5104517E-01 Ex_ueg -0.4914183E-01 Ec_ueg -0.7239113E-02 Delta_ex -0.5734152E-01 Delta_ec 0.1447919E-01 Delta_et -0.1888805E+00 Pxc 0.6788377E+01 Qxc -0.3960272E+01 3,-1 155 3 -1 1.990681 -3.009773 0.862951 Rho 0.1468156E+00 |GRAD(Rho)| 0.2497650E-15 GRAD(Rho)x 0.1722662E-15 GRAD(Rho)y 0.1338854E-15 GRAD(Rho)z -0.1215797E-15 Laplacian 0.5749593E+00 (-1/4)Del**2(Rho)) -0.1437398E+00 Diamond 0.1135387E+01 Metallicity 0.4896995E+01 Ellipticity 0.4911817E-01 Gb(Abramov) 0.2131421E+00 Vb(Abramov) -0.2825444E+00 Hb(Abramov) -0.6940227E-01 Ex_ueg -0.5720245E-01 Ec_ueg -0.8239979E-02 Delta_ex -0.6141960E-01 Delta_ec 0.1466354E-01 Delta_et -0.1946063E+00 Pxc 0.6942063E+01 Qxc -0.4188591E+01 3,-1 156 3 -1 1.993891 0.846107 -2.993149 Rho 0.1457070E+00 |GRAD(Rho)| 0.2855264E-14 GRAD(Rho)x 0.1463524E-14 GRAD(Rho)y -0.2395436E-14 GRAD(Rho)z 0.5220298E-15 Laplacian 0.5714236E+00 (-1/4)Del**2(Rho)) -0.1428559E+00 Diamond 0.1119476E+01 Metallicity 0.4865442E+01 Ellipticity 0.4052137E-01 Gb(Abramov) 0.2110801E+00 Vb(Abramov) -0.2793043E+00 Hb(Abramov) -0.6822422E-01 Ex_ueg -0.5662726E-01 Ec_ueg -0.8169268E-02 Delta_ex -0.6094208E-01 Delta_ec 0.1462462E-01 Delta_et -0.1939320E+00 Pxc 0.6931742E+01 Qxc -0.4167087E+01 3,-1 157 3 -1 1.723848 1.735693 -0.515364 Rho 0.4662706E-01 |GRAD(Rho)| 0.6014210E-16 GRAD(Rho)x -0.5124422E-16 GRAD(Rho)y 0.2941491E-16 GRAD(Rho)z -0.1121895E-16 Laplacian 0.1892209E+00 (-1/4)Del**2(Rho)) -0.4730523E-01 Diamond 0.8659288E-01 Metallicity 0.2199754E+01 Ellipticity 0.1182719E-01 Gb(Abramov) 0.4888013E-01 Vb(Abramov) -0.5045503E-01 Hb(Abramov) -0.1574899E-02 Ex_ueg -0.1239469E-01 Ec_ueg -0.2229296E-02 Delta_ex -0.1527416E-01 Delta_ec 0.5586899E-02 Delta_et -0.5783012E-01 Pxc 0.5559913E+01 Qxc -0.2733924E+01 3,-1 158 3 -1 1.731526 -1.739835 0.544793 Rho 0.4781211E-01 |GRAD(Rho)| 0.4707632E-12 GRAD(Rho)x -0.3137823E-12 GRAD(Rho)y 0.3130959E-12 GRAD(Rho)z 0.1585233E-12 Laplacian 0.1956362E+00 (-1/4)Del**2(Rho)) -0.4890905E-01 Diamond 0.9267251E-01 Metallicity 0.2218506E+01 Ellipticity 0.1391323E-01 Gb(Abramov) 0.5069020E-01 Vb(Abramov) -0.5247135E-01 Hb(Abramov) -0.1781150E-02 Ex_ueg -0.1281649E-01 Ec_ueg -0.2294297E-02 Delta_ex -0.1589354E-01 Delta_ec 0.5778179E-02 Delta_et -0.6020650E-01 Pxc 0.5586236E+01 Qxc -0.2750614E+01 3,-1 159 3 -1 1.988604 2.988484 -0.860732 Rho 0.1312972E+00 |GRAD(Rho)| 0.1618742E-15 GRAD(Rho)x -0.1289591E-15 GRAD(Rho)y 0.8408665E-16 GRAD(Rho)z -0.5002238E-16 Laplacian 0.5210017E+00 (-1/4)Del**2(Rho)) -0.1302504E+00 Diamond 0.8984890E+00 Metallicity 0.4486075E+01 Ellipticity 0.3562108E-01 Gb(Abramov) 0.1842191E+00 Vb(Abramov) -0.2381878E+00 Hb(Abramov) -0.5396871E-01 Ex_ueg -0.4928624E-01 Ec_ueg -0.7257244E-02 Delta_ex -0.5414987E-01 Delta_ec 0.1362909E-01 Delta_et -0.1777886E+00 Pxc 0.6791316E+01 Qxc -0.3973109E+01 3,-1 160 3 -1 2.011492 -0.882508 3.027249 Rho 0.1200382E+00 |GRAD(Rho)| 0.3417673E-12 GRAD(Rho)x 0.1856276E-12 GRAD(Rho)y 0.2500499E-12 GRAD(Rho)z -0.1407917E-12 Laplacian 0.4913830E+00 (-1/4)Del**2(Rho)) -0.1228458E+00 Diamond 0.7857301E+00 Metallicity 0.4096302E+01 Ellipticity 0.9600334E-02 Gb(Abramov) 0.1657661E+00 Vb(Abramov) -0.2086864E+00 Hb(Abramov) -0.4292029E-01 Ex_ueg -0.4373316E-01 Ec_ueg -0.6554130E-02 Delta_ex -0.5031777E-01 Delta_ec 0.1372576E-01 Delta_et -0.1773690E+00 Pxc 0.6672612E+01 Qxc -0.3665938E+01 3,-1 161 3 -1 2.777317 -0.565409 -1.799409 Rho 0.1417965E+00 |GRAD(Rho)| 0.7886493E-12 GRAD(Rho)x -0.1090542E-12 GRAD(Rho)y 0.5097919E-12 GRAD(Rho)z -0.5917662E-12 Laplacian 0.5965960E+00 (-1/4)Del**2(Rho)) -0.1491490E+00 Diamond 0.1125350E+01 Metallicity 0.4453576E+01 Ellipticity 0.1255659E-01 Gb(Abramov) 0.2101404E+00 Vb(Abramov) -0.2711318E+00 Hb(Abramov) -0.6099139E-01 Ex_ueg -0.5461004E-01 Ec_ueg -0.7920459E-02 Delta_ex -0.6314220E-01 Delta_ec 0.1525865E-01 Delta_et -0.2012954E+00 Pxc 0.6894807E+01 Qxc -0.4138125E+01 3,-1 162 3 +1 2.944774 -0.167405 0.187791 Rho 0.5256494E-02 |GRAD(Rho)| 0.3230093E-14 GRAD(Rho)x 0.2939475E-15 GRAD(Rho)y -0.2335203E-14 GRAD(Rho)z 0.2212221E-14 Laplacian 0.2114582E-01 (-1/4)Del**2(Rho)) -0.5286455E-02 Diamond 0.4781847E-03 Metallicity 0.5178638E+00 Ellipticity -0.2259845E+01 Gb(Abramov) 0.3980580E-02 Vb(Abramov) -0.2674706E-02 Hb(Abramov) 0.1305874E-02 Ex_ueg -0.6750147E-03 Ec_ueg -0.1579674E-03 Delta_ex -0.1018807E-02 Delta_ec 0.5894910E-03 Delta_et -0.3280564E-02 Pxc 0.4273126E+01 Qxc -0.1728282E+01 3,+1 163 3 -1 1.805861 -0.557557 -2.770369 Rho 0.1461224E+00 |GRAD(Rho)| 0.2388349E-12 GRAD(Rho)x 0.1717300E-12 GRAD(Rho)y 0.1641857E-12 GRAD(Rho)z 0.2437223E-13 Laplacian 0.6113243E+00 (-1/4)Del**2(Rho)) -0.1528311E+00 Diamond 0.1196789E+01 Metallicity 0.4569506E+01 Ellipticity 0.9834111E-02 Gb(Abramov) 0.2182811E+00 Vb(Abramov) -0.2837312E+00 Hb(Abramov) -0.6545006E-01 Ex_ueg -0.5684260E-01 Ec_ueg -0.8195753E-02 Delta_ex -0.6519178E-01 Delta_ec 0.1554353E-01 Delta_et -0.2059994E+00 Pxc 0.6935617E+01 Qxc -0.4194143E+01 3,-1 164 3 -1 2.827906 0.588196 1.811846 Rho 0.1110431E+00 |GRAD(Rho)| 0.3297888E-16 GRAD(Rho)x 0.7128629E-17 GRAD(Rho)y 0.1833657E-16 GRAD(Rho)z -0.2646809E-16 Laplacian 0.4835158E+00 (-1/4)Del**2(Rho)) -0.1208789E+00 Diamond 0.7082064E+00 Metallicity 0.3656130E+01 Ellipticity 0.2375477E-01 Gb(Abramov) 0.1542442E+00 Vb(Abramov) -0.1876094E+00 Hb(Abramov) -0.3336521E-01 Ex_ueg -0.3941913E-01 Ec_ueg -0.5998725E-02 Delta_ex -0.4867729E-01 Delta_ec 0.1385858E-01 Delta_et -0.1766483E+00 Pxc 0.6571251E+01 Qxc -0.3512430E+01 3,-1 165 3 -1 2.990754 0.857921 -1.989630 Rho 0.1428066E+00 |GRAD(Rho)| 0.1836246E-15 GRAD(Rho)x -0.6990394E-16 GRAD(Rho)y -0.1688374E-15 GRAD(Rho)z -0.1803841E-16 Laplacian 0.5632542E+00 (-1/4)Del**2(Rho)) -0.1408136E+00 Diamond 0.1074945E+01 Metallicity 0.4773343E+01 Ellipticity 0.4561925E-01 Gb(Abramov) 0.2059009E+00 Vb(Abramov) -0.2709883E+00 Hb(Abramov) -0.6508738E-01 Ex_ueg -0.5512935E-01 Ec_ueg -0.7984636E-02 Delta_ex -0.5975294E-01 Delta_ec 0.1444519E-01 Delta_et -0.1909014E+00 Pxc 0.6904428E+01 Qxc -0.4136530E+01 3,-1 166 3 -1 2.779804 -1.812067 -0.550114 Rho 0.1340587E+00 |GRAD(Rho)| 0.1801922E-15 GRAD(Rho)x 0.7175386E-16 GRAD(Rho)y 0.1650020E-15 GRAD(Rho)z 0.9744267E-17 Laplacian 0.5573250E+00 (-1/4)Del**2(Rho)) -0.1393312E+00 Diamond 0.9872160E+00 Metallicity 0.4341733E+01 Ellipticity 0.9563474E-02 Gb(Abramov) 0.1937107E+00 Vb(Abramov) -0.2480901E+00 Hb(Abramov) -0.5437943E-01 Ex_ueg -0.5067322E-01 Ec_ueg -0.7430991E-02 Delta_ex -0.5823766E-01 Delta_ec 0.1454262E-01 Delta_et -0.1904040E+00 Pxc 0.6819174E+01 Qxc -0.4004619E+01 3,-1 167 3 -1 3.026288 -2.021552 0.847397 Rho 0.1592420E+00 |GRAD(Rho)| 0.3100034E-15 GRAD(Rho)x 0.6522831E-16 GRAD(Rho)y 0.6246360E-16 GRAD(Rho)z -0.2965564E-15 Laplacian 0.6224138E+00 (-1/4)Del**2(Rho)) -0.1556035E+00 Diamond 0.1351179E+01 Metallicity 0.5179603E+01 Ellipticity 0.3449367E-01 Gb(Abramov) 0.2380630E+00 Vb(Abramov) -0.3205225E+00 Hb(Abramov) -0.8245955E-01 Ex_ueg -0.6374730E-01 Ec_ueg -0.9037734E-02 Delta_ex -0.6779772E-01 Delta_ec 0.1549071E-01 Delta_et -0.2077020E+00 Pxc 0.7053460E+01 Qxc -0.4376670E+01 3,-1 168 3 -1 3.040142 -0.880525 1.989886 Rho 0.1119387E+00 |GRAD(Rho)| 0.3413758E-15 GRAD(Rho)x -0.1323065E-15 GRAD(Rho)y 0.2401643E-15 GRAD(Rho)z 0.2033557E-15 Laplacian 0.4623136E+00 (-1/4)Del**2(Rho)) -0.1155784E+00 Diamond 0.6803674E+00 Metallicity 0.3875346E+01 Ellipticity 0.4844576E-02 Gb(Abramov) 0.1517033E+00 Vb(Abramov) -0.1878282E+00 Hb(Abramov) -0.3612491E-01 Ex_ueg -0.3984363E-01 Ec_ueg -0.6053766E-02 Delta_ex -0.4658059E-01 Delta_ec 0.1313872E-01 Delta_et -0.1676088E+00 Pxc 0.6581627E+01 Qxc -0.3545292E+01 3,-1 169 3 -1 3.192280 3.229135 0.058096 Rho 0.2429123E+00 |GRAD(Rho)| 0.1252090E-10 GRAD(Rho)x 0.8589732E-11 GRAD(Rho)y 0.8905767E-11 GRAD(Rho)z 0.1917502E-11 Laplacian 0.8877985E+00 (-1/4)Del**2(Rho)) -0.2219496E+00 Diamond 0.3178241E+01 Metallicity 0.7340313E+01 Ellipticity 0.2330701E-02 Gb(Abramov) 0.4194964E+00 Vb(Abramov) -0.6170431E+00 Hb(Abramov) -0.1975467E+00 Ex_ueg -0.1119398E+00 Ec_ueg -0.1464066E-01 Delta_ex -0.1075631E+00 Delta_ec 0.1947123E-01 Delta_et -0.2694986E+00 Pxc 0.7645812E+01 Qxc -0.5524208E+01 3,-1 170 3 -1 3.206584 -0.069409 -3.193929 Rho 0.2435062E+00 |GRAD(Rho)| 0.4288782E-15 GRAD(Rho)x -0.4145989E-15 GRAD(Rho)y 0.9039536E-16 GRAD(Rho)z -0.6223320E-16 Laplacian 0.8900472E+00 (-1/4)Del**2(Rho)) -0.2225118E+00 Diamond 0.3195806E+01 Metallicity 0.7351630E+01 Ellipticity 0.1409097E-02 Gb(Abramov) 0.4209786E+00 Vb(Abramov) -0.6194454E+00 Hb(Abramov) -0.1984668E+00 Ex_ueg -0.1123049E+00 Ec_ueg -0.1468183E-01 Delta_ex -0.1079052E+00 Delta_ec 0.1950755E-01 Delta_et -0.2700259E+00 Pxc 0.7649243E+01 Qxc -0.5531459E+01 3,-1 171 3 -1 3.260028 0.057588 3.251266 Rho 0.2206086E+00 |GRAD(Rho)| 0.1962182E-15 GRAD(Rho)x -0.1005055E-15 GRAD(Rho)y -0.1106970E-15 GRAD(Rho)z -0.1270685E-15 Laplacian 0.8200519E+00 (-1/4)Del**2(Rho)) -0.2050130E+00 Diamond 0.2612354E+01 Metallicity 0.6768242E+01 Ellipticity 0.1870215E-02 Gb(Abramov) 0.3679382E+00 Vb(Abramov) -0.5308635E+00 Hb(Abramov) -0.1629252E+00 Ex_ueg -0.9844983E-01 Ec_ueg -0.1310895E-01 Delta_ex -0.9688320E-01 Delta_ec 0.1847619E-01 Delta_et -0.2546056E+00 Pxc 0.7510123E+01 Qxc -0.5243679E+01 3,-1 172 3 -1 3.189777 -3.229090 -0.069473 Rho 0.2431621E+00 |GRAD(Rho)| 0.5196892E-12 GRAD(Rho)x -0.3493837E-12 GRAD(Rho)y 0.3673631E-12 GRAD(Rho)z 0.1142463E-12 Laplacian 0.8909471E+00 (-1/4)Del**2(Rho)) -0.2227368E+00 Diamond 0.3191333E+01 Metallicity 0.7326912E+01 Ellipticity 0.2481147E-02 Gb(Abramov) 0.4204867E+00 Vb(Abramov) -0.6182366E+00 Hb(Abramov) -0.1977499E+00 Ex_ueg -0.1120933E+00 Ec_ueg -0.1465797E-01 Delta_ex -0.1079625E+00 Delta_ec 0.1951441E-01 Delta_et -0.2700146E+00 Pxc 0.7647256E+01 Qxc -0.5532452E+01 3,-1 173 3 -1 2.987335 1.997423 -0.848786 Rho 0.1323396E+00 |GRAD(Rho)| 0.1374753E-13 GRAD(Rho)x 0.5307183E-14 GRAD(Rho)y 0.1114605E-13 GRAD(Rho)z 0.6049306E-14 Laplacian 0.5164925E+00 (-1/4)Del**2(Rho)) -0.1291231E+00 Diamond 0.9034115E+00 Metallicity 0.4585277E+01 Ellipticity 0.2936316E-01 Gb(Abramov) 0.1847596E+00 Vb(Abramov) -0.2403961E+00 Hb(Abramov) -0.5563650E-01 Ex_ueg -0.4980866E-01 Ec_ueg -0.7322771E-02 Delta_ex -0.5383328E-01 Delta_ec 0.1357370E-01 Delta_et -0.1774591E+00 Pxc 0.6801887E+01 Qxc -0.3965998E+01 3,-1 174 3 -1 -1.815826 -0.557718 2.790668 Rho 0.1283642E+00 |GRAD(Rho)| 0.5866808E-13 GRAD(Rho)x -0.4478786E-13 GRAD(Rho)y 0.3701744E-13 GRAD(Rho)z -0.8105550E-14 Laplacian 0.5387395E+00 (-1/4)Del**2(Rho)) -0.1346849E+00 Diamond 0.9034766E+00 Metallicity 0.4178054E+01 Ellipticity 0.7508444E-02 Gb(Abramov) 0.1835767E+00 Vb(Abramov) -0.2324685E+00 Hb(Abramov) -0.4889181E-01 Ex_ueg -0.4782373E-01 Ec_ueg -0.7073256E-02 Delta_ex -0.5568039E-01 Delta_ec 0.1415364E-01 Delta_et -0.1839273E+00 Pxc 0.6761205E+01 Qxc -0.3933998E+01 3,-1 175 3 -1 -3.202524 0.066171 -3.238865 Rho 0.2424707E+00 |GRAD(Rho)| 0.2646252E-15 GRAD(Rho)x 0.9248245E-16 GRAD(Rho)y 0.2176536E-16 GRAD(Rho)z -0.2469813E-15 Laplacian 0.8856798E+00 (-1/4)Del**2(Rho)) -0.2214199E+00 Diamond 0.3163253E+01 Metallicity 0.7335594E+01 Ellipticity 0.1450662E-02 Gb(Abramov) 0.4183211E+00 Vb(Abramov) -0.6152223E+00 Hb(Abramov) -0.1969012E+00 Ex_ueg -0.1116685E+00 Ec_ueg -0.1461007E-01 Delta_ex -0.1072529E+00 Delta_ec 0.1943095E-01 Delta_et -0.2689071E+00 Pxc 0.7643255E+01 Qxc -0.5519695E+01 3,-1 176 3 -1 -2.812862 0.564333 -1.838164 Rho 0.1593093E+00 |GRAD(Rho)| 0.4360102E-15 GRAD(Rho)x -0.1643854E-15 GRAD(Rho)y 0.1432502E-15 GRAD(Rho)z 0.3775734E-15 Laplacian 0.6572395E+00 (-1/4)Del**2(Rho)) -0.1643099E+00 Diamond 0.1424420E+01 Metallicity 0.4908606E+01 Ellipticity 0.9797151E-02 Gb(Abramov) 0.2439620E+00 Vb(Abramov) -0.3236141E+00 Hb(Abramov) -0.7965211E-01 Ex_ueg -0.6378325E-01 Ec_ueg -0.9042084E-02 Delta_ex -0.7157033E-01 Delta_ec 0.1630506E-01 Delta_et -0.2185048E+00 Pxc 0.7054043E+01 Qxc -0.4389456E+01 3,-1 177 3 -1 0.081530 -3.198721 -3.224334 Rho 0.2429223E+00 |GRAD(Rho)| 0.1555843E-14 GRAD(Rho)x -0.3260196E-15 GRAD(Rho)y 0.8584713E-15 GRAD(Rho)z 0.1255940E-14 Laplacian 0.8874453E+00 (-1/4)Del**2(Rho)) -0.2218613E+00 Diamond 0.3176834E+01 Metallicity 0.7343741E+01 Ellipticity 0.1124803E-02 Gb(Abramov) 0.4194562E+00 Vb(Abramov) -0.6170511E+00 Hb(Abramov) -0.1975949E+00 Ex_ueg -0.1119459E+00 Ec_ueg -0.1464136E-01 Delta_ex -0.1075199E+00 Delta_ec 0.1946043E-01 Delta_et -0.2693367E+00 Pxc 0.7645870E+01 Qxc -0.5525055E+01 3,-1 178 3 -1 0.850547 -2.016989 3.021465 Rho 0.1492815E+00 |GRAD(Rho)| 0.6290512E-15 GRAD(Rho)x -0.5616167E-15 GRAD(Rho)y 0.7302102E-16 GRAD(Rho)z -0.2737882E-15 Laplacian 0.5896956E+00 (-1/4)Del**2(Rho)) -0.1474239E+00 Diamond 0.1183143E+01 Metallicity 0.4909026E+01 Ellipticity 0.2818242E-01 Gb(Abramov) 0.2189006E+00 Vb(Abramov) -0.2903772E+00 Hb(Abramov) -0.7147665E-01 Ex_ueg -0.5848706E-01 Ec_ueg -0.8397536E-02 Delta_ex -0.6320291E-01 Delta_ec 0.1489022E-01 Delta_et -0.1978803E+00 Pxc 0.6964787E+01 Qxc -0.4244593E+01 3,-1 179 3 -1 1.829939 0.590326 2.803020 Rho 0.1196449E+00 |GRAD(Rho)| 0.1358091E-13 GRAD(Rho)x -0.1216380E-14 GRAD(Rho)y -0.1307197E-13 GRAD(Rho)z 0.3476372E-14 Laplacian 0.5184194E+00 (-1/4)Del**2(Rho)) -0.1296049E+00 Diamond 0.8285358E+00 Metallicity 0.3861494E+01 Ellipticity 0.2118335E-01 Gb(Abramov) 0.1698146E+00 Vb(Abramov) -0.2100244E+00 Hb(Abramov) -0.4020978E-01 Ex_ueg -0.4354221E-01 Ec_ueg -0.6529725E-02 Delta_ex -0.5308342E-01 Delta_ec 0.1456011E-01 Delta_et -0.1881454E+00 Pxc 0.6668307E+01 Qxc -0.3645811E+01 3,-1 180 3 -1 2.807029 1.834848 0.561585 Rho 0.1621472E+00 |GRAD(Rho)| 0.3807573E-12 GRAD(Rho)x -0.7030212E-13 GRAD(Rho)y 0.2864372E-12 GRAD(Rho)z -0.2408059E-12 Laplacian 0.6715348E+00 (-1/4)Del**2(Rho)) -0.1678837E+00 Diamond 0.1483617E+01 Metallicity 0.4947590E+01 Ellipticity 0.6741448E-02 Gb(Abramov) 0.2503591E+00 Vb(Abramov) -0.3328345E+00 Hb(Abramov) -0.8247539E-01 Ex_ueg -0.6530268E-01 Ec_ueg -0.9225590E-02 Delta_ex -0.7342175E-01 Delta_ec 0.1653728E-01 Delta_et -0.2219819E+00 Pxc 0.7078428E+01 Qxc -0.4439773E+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 79 143 131 128 178 82 129 113 154 144 110 105 177 147 124 132 146 149 133 120 145 148 108 107 134 158 166 150 167 155 172 157 180 153 173 159 169 94 73 97 74 98 77 93 76 92 70 91 69 57 176 89 79 102 175 54 81 174 67 87 63 136 164 179 168 160 171 80 161 163 165 156 170 137 117 141 121 119 118 127 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 21 22 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 23 24 28 2.402081 1.923889 1.910798 1.926977 1.987379 1.740102 2.399851 1.965945 1.935516 1.935034 1.903452 1.738988 2.410023 1.925789 1.889972 1.980859 1.945173 1.739264 2.417682 1.908481 1.981077 1.931150 1.924798 1.739343 2.383769 1.957731 1.958052 1.901541 1.932676 1.738535 2.395370 1.884987 1.917075 1.974680 1.977060 1.738992 2.438741 2.019366 2.015080 2.027509 2.007003 1.775311 2.426421 2.017210 1.995010 2.031326 2.028862 1.775843 2.397760 1.891802 1.970020 1.906454 1.985477 1.739736 2.396625 1.891864 1.974314 1.905959 1.988806 1.739180 2.439936 2.024639 1.996184 2.032989 2.006770 1.776566 2.398192 1.934760 1.923630 1.943533 1.936223 1.738018 1.698061 1.698824 1.703452 1.697370 3.227484 3.295793 3.277781 2.403820 1.924306 1.911121 1.927563 1.987991 1.740109 2.401649 1.966346 1.935946 1.935655 1.903957 1.738995 2.411779 1.926220 1.890260 1.981484 1.945772 1.739270 2.419277 1.908828 1.981466 1.931733 1.925382 1.739354 2.385569 1.958151 1.958475 1.902046 1.933307 1.738541 2.397114 1.885272 1.917533 1.975290 1.977702 1.738999 2.440781 2.019637 2.015352 2.027861 2.007418 1.775314 2.428349 2.017469 1.995289 2.031681 2.029214 1.775846 2.399558 1.892100 1.970414 1.906958 1.986116 1.739744 2.398404 1.892168 1.974711 1.906469 1.989460 1.739186 2.441900 2.024842 1.996448 2.033341 2.007164 1.776566 2.399927 1.935204 1.924061 1.944164 1.936822 1.738024 1.698066 1.698829 1.703454 1.697375 3.233158 3.302831 3.284659 30 27 27 25 24 23 30 25 27 28 27 22 27 27 27 25 26 23 30 27 25 27 27 27 27 25 25 25 25 23 27 25 27 24 25 22 29 26 29 24 29 23 30 24 26 25 28 22 27 25 27 25 27 21 27 24 24 24 26 21 30 25 24 25 25 22 27 24 25 25 24 22 24 24 22 23 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 W W W W W W Ta Ta W W Ta 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 2.4778 2.4832 2.4856 2.4755 2.4817 2.4853 2.2764 2.2759 2.4795 2.4766 2.2771 2.4885 -1.1278 -1.1281 -1.1317 -1.1239 -0.9729 -0.9623 -0.9740 -0.9683 -0.9612 -0.9788 -0.9646 -0.9654 -0.9711 -0.9776 -0.9634 -0.9644 -0.9800 -0.9847 -0.9707 -0.9836 -0.9926 -0.9715 -0.9725 -0.9721 -0.9809 -0.9899 -0.9692 -0.9758 -0.8000 -0.7948 -0.7969 -0.7980 -0.7922 -0.7950 -0.8952 -0.8963 -0.7986 -0.7961 -0.8992 -0.7907 2.5687 2.0947 2.0904 2.0886 2.0956 2.0918 2.0901 2.0940 2.0936 2.0953 2.0960 2.0928 2.0855 1.9366 1.9363 1.9356 1.9371 1.9309 1.9311 1.9310 1.9318 1.9315 1.9299 1.9311 1.9310 1.9312 1.9300 1.9312 1.9311 1.9410 1.9407 1.9421 1.9405 1.9395 1.9421 1.9416 1.9418 1.9409 1.9393 1.9419 1.9419 1.9649 1.9653 1.9654 1.9652 1.9656 1.9657 1.9487 1.9485 1.9653 1.9657 1.9481 1.9657 0.8126 6.0918 6.0871 6.0880 6.0924 6.0875 6.0880 6.0631 6.0627 6.0897 6.0909 6.0618 6.0856 5.1524 5.1531 5.1567 5.1482 5.0141 5.0019 5.0153 5.0083 5.0002 5.0215 5.0044 5.0053 5.0117 5.0201 5.0030 5.0043 5.0092 5.0145 4.9975 5.0134 5.0241 4.9983 4.9999 4.9994 5.0102 5.0215 4.9962 5.0032 4.7999 4.7942 4.7962 4.7974 4.7912 4.7938 4.9175 4.9189 4.7980 4.7951 4.9222 4.7894 1.0778 3.3065 3.3100 3.3084 3.3073 3.3097 3.3073 2.5327 2.5339 3.3063 3.3074 2.5346 3.3111 0.0388 0.0387 0.0394 0.0385 0.0278 0.0293 0.0277 0.0282 0.0295 0.0274 0.0291 0.0291 0.0281 0.0274 0.0292 0.0291 0.0298 0.0295 0.0311 0.0297 0.0290 0.0311 0.0310 0.0309 0.0299 0.0290 0.0311 0.0307 0.0352 0.0354 0.0354 0.0353 0.0355 0.0354 0.0290 0.0289 0.0353 0.0354 0.0288 0.0356 10.5408 14.0293 14.0293 14.0293 14.0292 14.0292 14.0292 14.0337 14.0338 14.0292 14.0291 14.0338 14.0293 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W W W W W W Ta Ta W W Ta 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 2.508894 2.511120 2.509161 2.509320 2.512080 2.509201 2.373899 2.373402 2.509149 2.509212 2.372494 2.511801 -1.098154 -1.098619 -1.096952 -1.098665 -0.982733 -0.967681 -0.983780 -0.979273 -0.966430 -0.988228 -0.971646 -0.972389 -0.980526 -0.988823 -0.970154 -0.969440 -0.966898 -0.970001 -0.950379 -0.968939 -0.977509 -0.951411 -0.953753 -0.953679 -0.967362 -0.976080 -0.951454 -0.953835 -0.836643 -0.830530 -0.832216 -0.834219 -0.827606 -0.829930 -0.963556 -0.965088 -0.834548 -0.831502 -0.968577 -0.825319 2.324792 1.936586 1.936988 1.934969 1.938849 1.938910 1.936598 1.858751 1.857037 1.939298 1.941062 1.855131 1.934237 -0.746848 -0.747604 -0.743370 -0.748017 -0.755417 -0.725225 -0.755523 -0.754829 -0.724793 -0.752081 -0.727151 -0.729826 -0.755013 -0.753054 -0.732164 -0.722792 -0.811309 -0.812593 -0.784518 -0.810627 -0.817123 -0.786502 -0.786950 -0.787202 -0.811985 -0.814563 -0.787087 -0.786232 -0.739326 -0.732085 -0.734026 -0.736601 -0.729128 -0.731441 -0.883055 -0.884232 -0.736024 -0.732634 -0.888688 -0.726992 1.716216 2.043218 2.040906 2.040379 2.045316 2.043677 2.042832 1.968264 1.966044 2.044873 2.046872 1.964427 2.039242 -0.809131 -0.809549 -0.806766 -0.812471 -0.833375 -0.806316 -0.834682 -0.828951 -0.804265 -0.835511 -0.807777 -0.810264 -0.831791 -0.833564 -0.811413 -0.805819 -0.837637 -0.842523 -0.817657 -0.840433 -0.852372 -0.819277 -0.820654 -0.820794 -0.840818 -0.847791 -0.819340 -0.821495 -0.705583 -0.699663 -0.700216 -0.702915 -0.696268 -0.696769 -0.859905 -0.861913 -0.702742 -0.698795 -0.866436 -0.693619 1.661209 3.16259970 -0.23791541 -3.52495778 4.74172626 -9.74668411 -1.01461490 -14.67278067 -0.39725095 1.17636186 10.14393506 -401.9480 426.8630 -41.1271 -416.6477 -41.9842 -474.8439 Jun19-2024 15:09:07 Nodes: 1 Procs: 1 Jun19-2024 15:09:10 Nodes: 1 Procs: 1 0 Jun19-2024 15:09:13 Nodes: 1 Procs: 1 Jun19-2024 15:09:16 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 15:09:21 Nodes: 1 Procs: 1 Jun19-2024 15:09:24 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 15:09:27 Nodes: 1 Procs: 1 Jun19-2024 15:09:30 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 15:09:35 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -17.31453008 -17.43245496 -17.44256116 -17.44645068 -17.44730998 -17.44850228 -17.44897131 -17.44958704 -17.44982402 -17.44997865 -17.45009319 -17.45013292 -17.45017075 -17.45018292 -17.45019376 GEOMETRY CONVERGED