ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 22:02:58 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.07 2.47 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 22:02:58 Nodes: 1 Procs: 1 Jun10-2024 22:03:00 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 22:03:03 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.45 0.04 1.99 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 22:02:58 Nodes: 1 Procs: 1 Jun10-2024 22:03:00 Nodes: 1 Procs: 1 0 Jun10-2024 22:03:03 Nodes: 1 Procs: 1 Jun10-2024 22:03:04 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 22:03:07 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.91 0.03 1.24 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 22:02:58 Nodes: 1 Procs: 1 Jun10-2024 22:03:00 Nodes: 1 Procs: 1 0 Jun10-2024 22:03:03 Nodes: 1 Procs: 1 Jun10-2024 22:03:04 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 22:03:07 Nodes: 1 Procs: 1 Jun10-2024 22:03:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 22:03:10 Arsenic (TZP, 3p frozen) c1-10 c1-10 c1-10 c1-10 c1-10 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.43 0.07 3.03 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 22:02:58 Nodes: 1 Procs: 1 Jun10-2024 22:03:00 Nodes: 1 Procs: 1 0 Jun10-2024 22:03:03 Nodes: 1 Procs: 1 Jun10-2024 22:03:04 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 22:03:07 Nodes: 1 Procs: 1 Jun10-2024 22:03:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 22:03:10 Nodes: 1 Procs: 1 Jun10-2024 22:03:12 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 22:03:17 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2393.5776000000005 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Mo ADF 2019.304 Jun10-2024 22:03:04 1 1 Molybdenum TZP 3d t21.W ADF 2019.304 Jun10-2024 22:03:12 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun10-2024 22:03:08 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun10-2024 22:03:00 1 1 Arsenic TZP 3p 1 1 -16.47183675 0.17528366 0.00100000 F 0.04745699 0.00066667 F 0.17528366 0.04745699 0.06178442 0.01000000 F 0.02107147 0.00666667 F Cartesian 2393.5776000000005 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-3 3.415996 1.543523 -1.503453 Rho 0.3190461E+03 3,-3 32 3 -3 -3.422721 1.527725 1.489997 Rho 0.3190472E+03 3,-3 33 3 -3 1.532949 -1.499334 3.426773 Rho 0.3190642E+03 3,-3 34 3 -3 1.534071 1.498715 -3.407127 Rho 0.3189905E+03 3,-3 35 3 -3 -1.538738 1.505469 3.404840 Rho 0.3189866E+03 3,-3 36 3 -3 -1.531017 -1.507728 -3.429536 Rho 0.3191353E+03 3,-3 37 3 -3 -1.488322 -3.423319 -1.529907 Rho 0.3190492E+03 3,-3 38 3 -3 -1.508153 3.423408 1.538517 Rho 0.3190645E+03 3,-3 39 3 -3 1.513135 -3.421188 1.550057 Rho 0.3191198E+03 3,-3 40 3 -3 1.484769 3.415880 -1.523429 Rho 0.3190577E+03 3,-3 41 3 -3 -0.212138 -3.704834 3.812249 Rho 0.3195515E+03 3,-3 42 3 -3 0.201832 -3.700908 -3.820188 Rho 0.3195487E+03 3,-3 43 3 -3 -0.208623 3.693054 -3.792692 Rho 0.3194005E+03 3,-3 44 3 -3 0.218853 3.699872 3.790678 Rho 0.3194015E+03 3,-3 45 3 -3 3.695678 -3.811470 -0.215031 Rho 0.3195435E+03 3,-3 46 3 -3 3.707071 3.808423 0.209339 Rho 0.3195525E+03 3,-3 47 3 -3 -3.709016 3.819256 -0.203851 Rho 0.3195533E+03 3,-3 48 3 -3 -3.685272 -3.792572 0.211019 Rho 0.3193997E+03 3,-3 49 3 -3 -3.810757 0.216498 -3.703174 Rho 0.3195491E+03 3,-3 50 3 -3 -3.797919 -0.203115 3.692492 Rho 0.3194029E+03 3,-3 51 3 -3 3.796858 0.203440 3.699734 Rho 0.3193993E+03 3,-3 52 3 -3 3.804516 -0.211368 -3.692089 Rho 0.3193991E+03 3,-3 53 3 -3 0.000471 -0.008942 0.004094 Rho 0.4276078E+05 3,-3 54 3 +1 0.159841 2.895390 -0.167901 Rho 0.5253804E-02 |GRAD(Rho)| 0.2125832E-17 GRAD(Rho)x 0.7564510E-18 GRAD(Rho)y -0.5545386E-18 GRAD(Rho)z 0.1907729E-17 Laplacian 0.2174718E-01 (-1/4)Del**2(Rho)) -0.5436794E-02 Diamond 0.5206233E-03 Metallicity 0.5031144E+00 Ellipticity -0.2555766E+01 Gb(Abramov) 0.4080418E-02 Vb(Abramov) -0.2724041E-02 Hb(Abramov) 0.1356377E-02 Ex_ueg -0.6745543E-03 Ec_ueg -0.1578513E-03 Delta_ex -0.1073035E-02 Delta_ec 0.6515386E-03 Delta_et -0.3604754E-02 Pxc 0.4273352E+01 Qxc -0.1646924E+01 3,+1 55 3 -1 -1.773774 -0.525906 -1.698870 Rho 0.4217152E-01 |GRAD(Rho)| 0.8676778E-15 GRAD(Rho)x -0.8255687E-15 GRAD(Rho)y -0.1435682E-15 GRAD(Rho)z -0.2251428E-15 Laplacian 0.1770576E+00 (-1/4)Del**2(Rho)) -0.4426440E-01 Diamond 0.7273960E-01 Metallicity 0.1988523E+01 Ellipticity 0.2235189E-01 Gb(Abramov) 0.4417973E-01 Vb(Abramov) -0.4409506E-01 Hb(Abramov) 0.8467183E-04 Ex_ueg -0.1084120E-01 Ec_ueg -0.1986948E-02 Delta_ex -0.1404901E-01 Delta_ec 0.5430054E-02 Delta_et -0.5475972E-01 Pxc 0.5456207E+01 Qxc -0.2587269E+01 3,-1 56 3 +3 -1.086690 -1.119241 1.132084 Rho 0.5316440E-02 |GRAD(Rho)| 0.1964520E-13 GRAD(Rho)x -0.6252131E-14 GRAD(Rho)y -0.6504808E-14 GRAD(Rho)z 0.1745085E-13 Laplacian 0.2064998E-01 (-1/4)Del**2(Rho)) -0.5162496E-02 Diamond 0.1540744E-03 Metallicity 0.5404162E+00 Ellipticity -0.4146271E-01 Gb(Abramov) 0.3906646E-02 Vb(Abramov) -0.2650797E-02 Hb(Abramov) 0.1255849E-02 Ex_ueg -0.6852983E-03 Ec_ueg -0.1605558E-03 Delta_ex -0.7233431E-03 Delta_ec 0.8670873E-04 Delta_et -0.7058441E-03 Pxc 0.4268286E+01 Qxc -0.8342217E+01 3,+3 57 3 -1 -3.135667 -3.241831 0.064211 Rho 0.2514390E+00 |GRAD(Rho)| 0.6659011E-14 GRAD(Rho)x 0.4471683E-14 GRAD(Rho)y 0.4746746E-14 GRAD(Rho)z -0.1347175E-14 Laplacian 0.9211498E+00 (-1/4)Del**2(Rho)) -0.2302874E+00 Diamond 0.3427640E+01 Metallicity 0.7493259E+01 Ellipticity 0.1620157E-02 Gb(Abramov) 0.4411255E+00 Vb(Abramov) -0.6519636E+00 Hb(Abramov) -0.2108381E+00 Ex_ueg -0.1172093E+00 Ec_ueg -0.1523344E-01 Delta_ex -0.1125687E+00 Delta_ec 0.1990571E-01 Delta_et -0.2753294E+00 Pxc 0.7694208E+01 Qxc -0.5655098E+01 3,-1 58 3 -1 -1.714576 1.768201 0.545521 Rho 0.4177684E-01 |GRAD(Rho)| 0.2764986E-12 GRAD(Rho)x 0.1699198E-12 GRAD(Rho)y 0.6952973E-13 GRAD(Rho)z 0.2067470E-12 Laplacian 0.1764230E+00 (-1/4)Del**2(Rho)) -0.4410575E-01 Diamond 0.7145876E-01 Metallicity 0.1964645E+01 Ellipticity 0.9309985E-02 Gb(Abramov) 0.4384586E-01 Vb(Abramov) -0.4358596E-01 Hb(Abramov) 0.2598959E-03 Ex_ueg -0.1070613E-01 Ec_ueg -0.1965643E-02 Delta_ex -0.1396070E-01 Delta_ec 0.5401166E-02 Delta_et -0.5432906E-01 Pxc 0.5446631E+01 Qxc -0.2584757E+01 3,-1 59 3 -1 -2.957314 -2.024912 -0.851546 Rho 0.1309509E+00 |GRAD(Rho)| 0.5022432E-15 GRAD(Rho)x 0.2648706E-15 GRAD(Rho)y -0.2855789E-15 GRAD(Rho)z 0.3170749E-15 Laplacian 0.5135360E+00 (-1/4)Del**2(Rho)) -0.1283840E+00 Diamond 0.8902317E+00 Metallicity 0.4531301E+01 Ellipticity 0.2638867E-01 Gb(Abramov) 0.1825471E+00 Vb(Abramov) -0.2367102E+00 Hb(Abramov) -0.5416309E-01 Ex_ueg -0.4911297E-01 Ec_ueg -0.7235489E-02 Delta_ex -0.5342853E-01 Delta_ec 0.1360054E-01 Delta_et -0.1776397E+00 Pxc 0.6787789E+01 Qxc -0.3928412E+01 3,-1 60 3 -1 -1.759340 -2.796622 0.572901 Rho 0.1518492E+00 |GRAD(Rho)| 0.4437695E-13 GRAD(Rho)x -0.3328276E-13 GRAD(Rho)y 0.3193863E-14 GRAD(Rho)z -0.2917827E-13 Laplacian 0.6379640E+00 (-1/4)Del**2(Rho)) -0.1594910E+00 Diamond 0.1307021E+01 Metallicity 0.4668435E+01 Ellipticity 0.1450934E-01 Gb(Abramov) 0.2304229E+00 Vb(Abramov) -0.3013547E+00 Hb(Abramov) -0.7093188E-01 Ex_ueg -0.5983222E-01 Ec_ueg -0.8561995E-02 Delta_ex -0.6866934E-01 Delta_ec 0.1605021E-01 Delta_et -0.2138171E+00 Pxc 0.6988116E+01 Qxc -0.4278409E+01 3,-1 61 3 -1 -3.017693 -0.859639 -1.966954 Rho 0.1401459E+00 |GRAD(Rho)| 0.6042041E-13 GRAD(Rho)x -0.4105033E-13 GRAD(Rho)y 0.1051989E-13 GRAD(Rho)z 0.4306772E-13 Laplacian 0.5471692E+00 (-1/4)Del**2(Rho)) -0.1367923E+00 Diamond 0.1013764E+01 Metallicity 0.4762028E+01 Ellipticity 0.5833115E-01 Gb(Abramov) 0.1997630E+00 Vb(Abramov) -0.2627337E+00 Hb(Abramov) -0.6297070E-01 Ex_ueg -0.5376406E-01 Ec_ueg -0.7815722E-02 Delta_ex -0.5770278E-01 Delta_ec 0.1395800E-01 Delta_et -0.1836567E+00 Pxc 0.6878963E+01 Qxc -0.4134030E+01 3,-1 62 3 -1 -3.158192 3.264433 -0.051529 Rho 0.2422403E+00 |GRAD(Rho)| 0.1001855E-14 GRAD(Rho)x 0.3577867E-17 GRAD(Rho)y -0.6095927E-15 GRAD(Rho)z -0.7950455E-15 Laplacian 0.8623875E+00 (-1/4)Del**2(Rho)) -0.2155969E+00 Diamond 0.3100840E+01 Metallicity 0.7521792E+01 Ellipticity 0.1915181E-02 Gb(Abramov) 0.4140104E+00 Vb(Abramov) -0.6124239E+00 Hb(Abramov) -0.1984135E+00 Ex_ueg -0.1115271E+00 Ec_ueg -0.1459412E-01 Delta_ex -0.1045341E+00 Delta_ec 0.1915341E-01 Delta_et -0.2660818E+00 Pxc 0.7641919E+01 Qxc -0.5457727E+01 3,-1 63 3 +3 -1.142592 1.096973 -1.092833 Rho 0.5082973E-02 |GRAD(Rho)| 0.1017753E-15 GRAD(Rho)x -0.9449948E-16 GRAD(Rho)y 0.4677548E-17 GRAD(Rho)z -0.3749900E-16 Laplacian 0.1972815E-01 (-1/4)Del**2(Rho)) -0.4932038E-02 Diamond 0.1416784E-03 Metallicity 0.5248756E+00 Ellipticity -0.5558417E-01 Gb(Abramov) 0.3719476E-02 Vb(Abramov) -0.2506915E-02 Hb(Abramov) 0.1212562E-02 Ex_ueg -0.6454691E-03 Ec_ueg -0.1504852E-03 Delta_ex -0.6854151E-03 Delta_ec 0.8815034E-04 Delta_et -0.6962261E-03 Pxc 0.4289253E+01 Qxc -0.7775524E+01 3,+3 64 3 +1 -2.893013 -0.160192 -0.181439 Rho 0.5333660E-02 |GRAD(Rho)| 0.1657531E-16 GRAD(Rho)x 0.2627325E-18 GRAD(Rho)y 0.1220845E-16 GRAD(Rho)z -0.1120828E-16 Laplacian 0.2203570E-01 (-1/4)Del**2(Rho)) -0.5508925E-02 Diamond 0.5432409E-03 Metallicity 0.5091689E+00 Ellipticity -0.2813688E+01 Gb(Abramov) 0.4140112E-02 Vb(Abramov) -0.2771299E-02 Hb(Abramov) 0.1368813E-02 Ex_ueg -0.6882594E-03 Ec_ueg -0.1612997E-03 Delta_ex -0.1094693E-02 Delta_ec 0.6676292E-03 Delta_et -0.3707301E-02 Pxc 0.4266961E+01 Qxc -0.1639672E+01 3,+1 65 3 -1 -2.781665 -0.562337 1.769698 Rho 0.1461015E+00 |GRAD(Rho)| 0.9824734E-15 GRAD(Rho)x 0.8509835E-15 GRAD(Rho)y -0.1999269E-15 GRAD(Rho)z 0.4484531E-15 Laplacian 0.6165595E+00 (-1/4)Del**2(Rho)) -0.1541399E+00 Diamond 0.1207712E+01 Metallicity 0.4529627E+01 Ellipticity 0.1044198E-01 Gb(Abramov) 0.2191259E+00 Vb(Abramov) -0.2841120E+00 Hb(Abramov) -0.6498606E-01 Ex_ueg -0.5683176E-01 Ec_ueg -0.8194420E-02 Delta_ex -0.6575686E-01 Delta_ec 0.1569344E-01 Delta_et -0.2080181E+00 Pxc 0.6935422E+01 Qxc -0.4190087E+01 3,-1 66 3 +3 -2.326670 0.038678 -0.002286 Rho 0.4657891E-02 |GRAD(Rho)| 0.2682704E-15 GRAD(Rho)x 0.1210940E-16 GRAD(Rho)y -0.2675839E-15 GRAD(Rho)z -0.1487306E-16 Laplacian 0.1901958E-01 (-1/4)Del**2(Rho)) -0.4754895E-02 Diamond 0.1738119E-03 Metallicity 0.4706821E+00 Ellipticity -0.3165942E+00 Gb(Abramov) 0.3542938E-02 Vb(Abramov) -0.2330980E-02 Hb(Abramov) 0.1211958E-02 Ex_ueg -0.5745186E-03 Ec_ueg -0.1322203E-03 Delta_ex -0.6987098E-03 Delta_ec 0.1808554E-03 Delta_et -0.1131732E-02 Pxc 0.4345163E+01 Qxc -0.3863362E+01 3,+3 67 3 +1 -1.728512 -1.747284 1.745385 Rho 0.1217538E-01 |GRAD(Rho)| 0.1265145E-13 GRAD(Rho)x -0.1014745E-13 GRAD(Rho)y 0.7087896E-14 GRAD(Rho)z -0.2617280E-14 Laplacian 0.6137758E-01 (-1/4)Del**2(Rho)) -0.1534439E-01 Diamond 0.2502752E-02 Metallicity 0.7234484E+00 Ellipticity -0.1246663E+01 Gb(Abramov) 0.1207974E-01 Vb(Abramov) -0.8815090E-02 Hb(Abramov) 0.3264652E-02 Ex_ueg -0.2068688E-02 Ec_ueg -0.4676711E-03 Delta_ex -0.3026827E-02 Delta_ec 0.7935981E-03 Delta_et -0.5974153E-02 Pxc 0.4423382E+01 Qxc -0.3814056E+01 3,+1 68 3 +1 -0.539744 1.657091 -0.528370 Rho 0.8738771E-02 |GRAD(Rho)| 0.6296349E-16 GRAD(Rho)x 0.6498129E-17 GRAD(Rho)y 0.2406706E-16 GRAD(Rho)z 0.5781826E-16 Laplacian 0.3412328E-01 (-1/4)Del**2(Rho)) -0.8530820E-02 Diamond 0.9441616E-03 Metallicity 0.7487089E+00 Ellipticity -0.1464536E+01 Gb(Abramov) 0.6751730E-02 Vb(Abramov) -0.4972640E-02 Hb(Abramov) 0.1779090E-02 Ex_ueg -0.1329389E-02 Ec_ueg -0.3111934E-03 Delta_ex -0.1569998E-02 Delta_ec 0.4887029E-03 Delta_et -0.3347135E-02 Pxc 0.4271908E+01 Qxc -0.3212582E+01 3,+1 69 3 +1 -1.399830 -1.074666 -2.168339 Rho 0.2629650E-01 |GRAD(Rho)| 0.2060457E-15 GRAD(Rho)x -0.5130579E-16 GRAD(Rho)y 0.1722830E-15 GRAD(Rho)z -0.1007031E-15 Laplacian 0.1048354E+00 (-1/4)Del**2(Rho)) -0.2620886E-01 Diamond 0.1484194E-01 Metallicity 0.1528510E+01 Ellipticity -0.3775789E+01 Gb(Abramov) 0.2414933E-01 Vb(Abramov) -0.2208979E-01 Hb(Abramov) 0.2059535E-02 Ex_ueg -0.5775404E-02 Ec_ueg -0.1154210E-02 Delta_ex -0.6623415E-02 Delta_ec 0.1804732E-02 Delta_et -0.1612309E-01 Pxc 0.5003772E+01 Qxc -0.3670028E+01 3,+1 70 3 +1 -1.686653 0.549960 -0.521325 Rho 0.8290852E-02 |GRAD(Rho)| 0.2752252E-17 GRAD(Rho)x -0.5218517E-18 GRAD(Rho)y -0.2508528E-17 GRAD(Rho)z 0.1004914E-17 Laplacian 0.3201330E-01 (-1/4)Del**2(Rho)) -0.8003324E-02 Diamond 0.8343140E-03 Metallicity 0.7310516E+00 Ellipticity -0.1468815E+01 Gb(Abramov) 0.6310690E-02 Vb(Abramov) -0.4618056E-02 Hb(Abramov) 0.1692634E-02 Ex_ueg -0.1239321E-02 Ec_ueg -0.2911693E-03 Delta_ex -0.1458147E-02 Delta_ec 0.4667676E-03 Delta_et -0.3147031E-02 Pxc 0.4256360E+01 Qxc -0.3123924E+01 3,+1 71 3 +1 -2.905947 0.184278 0.155762 Rho 0.5317174E-02 |GRAD(Rho)| 0.2445133E-16 GRAD(Rho)x 0.7073716E-18 GRAD(Rho)y 0.1895548E-16 GRAD(Rho)z -0.1542910E-16 Laplacian 0.2192780E-01 (-1/4)Del**2(Rho)) -0.5481951E-02 Diamond 0.5297862E-03 Metallicity 0.5090411E+00 Ellipticity -0.2550822E+01 Gb(Abramov) 0.4119724E-02 Vb(Abramov) -0.2757497E-02 Hb(Abramov) 0.1362227E-02 Ex_ueg -0.6854245E-03 Ec_ueg -0.1605875E-03 Delta_ex -0.1081355E-02 Delta_ec 0.6513040E-03 Delta_et -0.3618752E-02 Pxc 0.4268229E+01 Qxc -0.1660292E+01 3,+1 72 3 -1 -2.904175 -0.001575 -0.025728 Rho 0.5364632E-02 |GRAD(Rho)| 0.8405415E-17 GRAD(Rho)x -0.4268920E-18 GRAD(Rho)y -0.6063459E-17 GRAD(Rho)z 0.5805448E-17 Laplacian 0.2152374E-01 (-1/4)Del**2(Rho)) -0.5380935E-02 Diamond 0.6389840E-03 Metallicity 0.5263346E+00 Ellipticity 0.2826183E+01 Gb(Abramov) 0.4059319E-02 Vb(Abramov) -0.2737702E-02 Hb(Abramov) 0.1321616E-02 Ex_ueg -0.6935934E-03 Ec_ueg -0.1626380E-03 Delta_ex -0.1158585E-02 Delta_ec 0.8094152E-03 Delta_et -0.4436867E-02 Pxc 0.4264646E+01 Qxc -0.1431385E+01 3,-1 73 3 +1 -0.528085 -0.542736 1.674330 Rho 0.8789608E-02 |GRAD(Rho)| 0.5055428E-16 GRAD(Rho)x -0.2063064E-16 GRAD(Rho)y 0.4065255E-16 GRAD(Rho)z -0.2185137E-16 Laplacian 0.3400733E-01 (-1/4)Del**2(Rho)) -0.8501832E-02 Diamond 0.9417324E-03 Metallicity 0.7585597E+00 Ellipticity -0.1469240E+01 Gb(Abramov) 0.6742746E-02 Vb(Abramov) -0.4983660E-02 Hb(Abramov) 0.1759086E-02 Ex_ueg -0.1339711E-02 Ec_ueg -0.3134716E-03 Delta_ex -0.1564032E-02 Delta_ec 0.4818153E-03 Delta_et -0.3309047E-02 Pxc 0.4273786E+01 Qxc -0.3246123E+01 3,+1 74 3 +1 1.110240 -2.169874 1.371884 Rho 0.2701876E-01 |GRAD(Rho)| 0.1022512E-15 GRAD(Rho)x -0.3400029E-16 GRAD(Rho)y 0.9638120E-16 GRAD(Rho)z 0.3153730E-17 Laplacian 0.1091119E+00 (-1/4)Del**2(Rho)) -0.2727797E-01 Diamond 0.1686685E-01 Metallicity 0.1536444E+01 Ellipticity -0.5464330E+01 Gb(Abramov) 0.2517049E-01 Vb(Abramov) -0.2306301E-01 Hb(Abramov) 0.2107477E-02 Ex_ueg -0.5987868E-02 Ec_ueg -0.1190883E-02 Delta_ex -0.7025263E-02 Delta_ec 0.2023860E-02 Delta_et -0.1817526E-01 Pxc 0.5028091E+01 Qxc -0.3471219E+01 3,+1 75 3 -1 -1.739360 0.539124 1.710205 Rho 0.4845707E-01 |GRAD(Rho)| 0.1256666E-15 GRAD(Rho)x 0.6455153E-16 GRAD(Rho)y 0.4301974E-16 GRAD(Rho)z -0.9886611E-16 Laplacian 0.1974946E+00 (-1/4)Del**2(Rho)) -0.4937365E-01 Diamond 0.9490861E-01 Metallicity 0.2247259E+01 Ellipticity 0.1201261E-01 Gb(Abramov) 0.5140834E-01 Vb(Abramov) -0.5344302E-01 Hb(Abramov) -0.2034684E-02 Ex_ueg -0.1304752E-01 Ec_ueg -0.2329766E-02 Delta_ex -0.1608232E-01 Delta_ec 0.5803262E-02 Delta_et -0.6067288E-01 Pxc 0.5600357E+01 Qxc -0.2771255E+01 3,-1 76 3 -1 -3.261085 0.075126 -3.143569 Rho 0.2415164E+00 |GRAD(Rho)| 0.8635864E-15 GRAD(Rho)x -0.6757832E-15 GRAD(Rho)y 0.5777442E-16 GRAD(Rho)z -0.5345659E-15 Laplacian 0.8612344E+00 (-1/4)Del**2(Rho)) -0.2153086E+00 Diamond 0.3085291E+01 Metallicity 0.7494386E+01 Ellipticity 0.1036827E-02 Gb(Abramov) 0.4124734E+00 Vb(Abramov) -0.6096381E+00 Hb(Abramov) -0.1971648E+00 Ex_ueg -0.1110829E+00 Ec_ueg -0.1454400E-01 Delta_ex -0.1043114E+00 Delta_ec 0.1914226E-01 Delta_et -0.2658875E+00 Pxc 0.7637713E+01 Qxc -0.5449271E+01 3,-1 77 3 -1 -3.242218 -0.055010 3.149410 Rho 0.2523116E+00 |GRAD(Rho)| 0.1540899E-13 GRAD(Rho)x 0.1077025E-13 GRAD(Rho)y 0.2015179E-14 GRAD(Rho)z -0.1083411E-13 Laplacian 0.9200107E+00 (-1/4)Del**2(Rho)) -0.2300027E+00 Diamond 0.3440326E+01 Metallicity 0.7545980E+01 Ellipticity 0.1412960E-02 Gb(Abramov) 0.4426010E+00 Vb(Abramov) -0.6551994E+00 Hb(Abramov) -0.2125984E+00 Ex_ueg -0.1177519E+00 Ec_ueg -0.1529433E-01 Delta_ex -0.1125450E+00 Delta_ec 0.1988333E-01 Delta_et -0.2751460E+00 Pxc 0.7699059E+01 Qxc -0.5660270E+01 3,-1 78 3 -1 -2.823101 0.584130 -1.783091 Rho 0.1497335E+00 |GRAD(Rho)| 0.4419776E-15 GRAD(Rho)x -0.2569898E-16 GRAD(Rho)y -0.2583789E-15 GRAD(Rho)z -0.3576647E-15 Laplacian 0.6269676E+00 (-1/4)Del**2(Rho)) -0.1567419E+00 Diamond 0.1244056E+01 Metallicity 0.4640519E+01 Ellipticity 0.2823999E-01 Gb(Abramov) 0.2257219E+00 Vb(Abramov) -0.2947019E+00 Hb(Abramov) -0.6897999E-01 Ex_ueg -0.5872331E-01 Ec_ueg -0.8426459E-02 Delta_ex -0.6706352E-01 Delta_ec 0.1549064E-01 Delta_et -0.2051845E+00 Pxc 0.6968919E+01 Qxc -0.4329292E+01 3,-1 79 3 +1 -0.513450 -1.665763 0.556197 Rho 0.8938417E-02 |GRAD(Rho)| 0.1330384E-14 GRAD(Rho)x -0.9074565E-15 GRAD(Rho)y -0.1791924E-15 GRAD(Rho)z -0.9562088E-15 Laplacian 0.3455410E-01 (-1/4)Del**2(Rho)) -0.8638525E-02 Diamond 0.9779048E-03 Metallicity 0.7677407E+00 Ellipticity -0.1476616E+01 Gb(Abramov) 0.6864374E-02 Vb(Abramov) -0.5090224E-02 Hb(Abramov) 0.1774150E-02 Ex_ueg -0.1370038E-02 Ec_ueg -0.3201471E-03 Delta_ex -0.1595477E-02 Delta_ec 0.4887043E-03 Delta_et -0.3371560E-02 Pxc 0.4279400E+01 Qxc -0.3264708E+01 3,+1 80 3 -1 -3.012686 0.868855 1.954749 Rho 0.1479590E+00 |GRAD(Rho)| 0.2405318E-15 GRAD(Rho)x 0.9314652E-16 GRAD(Rho)y -0.1891662E-15 GRAD(Rho)z 0.1157386E-15 Laplacian 0.5821493E+00 (-1/4)Del**2(Rho)) -0.1455373E+00 Diamond 0.1164874E+01 Metallicity 0.4899456E+01 Ellipticity 0.4404103E-01 Gb(Abramov) 0.2158672E+00 Vb(Abramov) -0.2861970E+00 Hb(Abramov) -0.7032986E-01 Ex_ueg -0.5779723E-01 Ec_ueg -0.8312991E-02 Delta_ex -0.6235201E-01 Delta_ec 0.1490044E-01 Delta_et -0.1981537E+00 Pxc 0.6952640E+01 Qxc -0.4184574E+01 3,-1 81 3 +1 -2.160819 1.406297 1.061828 Rho 0.2751929E-01 |GRAD(Rho)| 0.5267697E-16 GRAD(Rho)x -0.4151333E-16 GRAD(Rho)y 0.4335822E-17 GRAD(Rho)z 0.3213577E-16 Laplacian 0.1101902E+00 (-1/4)Del**2(Rho)) -0.2754754E-01 Diamond 0.1599178E-01 Metallicity 0.1568673E+01 Ellipticity -0.3309700E+01 Gb(Abramov) 0.2556721E-01 Vb(Abramov) -0.2358687E-01 Hb(Abramov) 0.1980333E-02 Ex_ueg -0.6136227E-02 Ec_ueg -0.1216374E-02 Delta_ex -0.6988124E-02 Delta_ec 0.1791853E-02 Delta_et -0.1620235E-01 Pxc 0.5044686E+01 Qxc -0.3899943E+01 3,+1 82 3 +3 2.323188 0.014380 0.001278 Rho 0.4708266E-02 |GRAD(Rho)| 0.1492506E-13 GRAD(Rho)x 0.7535772E-14 GRAD(Rho)y 0.1226674E-13 GRAD(Rho)z 0.3936590E-14 Laplacian 0.1914999E-01 (-1/4)Del**2(Rho)) -0.4787498E-02 Diamond 0.1751533E-03 Metallicity 0.4759334E+00 Ellipticity -0.3121152E+00 Gb(Abramov) 0.3571421E-02 Vb(Abramov) -0.2355343E-02 Hb(Abramov) 0.1216078E-02 Ex_ueg -0.5828181E-03 Ec_ueg -0.1343800E-03 Delta_ex -0.7029932E-03 Delta_ec 0.1777404E-03 Delta_et -0.1121001E-02 Pxc 0.4337091E+01 Qxc -0.3955168E+01 3,+3 83 3 +1 0.534193 -1.669816 -0.536859 Rho 0.8639623E-02 |GRAD(Rho)| 0.1534623E-12 GRAD(Rho)x 0.1066380E-12 GRAD(Rho)y -0.1079614E-12 GRAD(Rho)z -0.2287693E-13 Laplacian 0.3329774E-01 (-1/4)Del**2(Rho)) -0.8324435E-02 Diamond 0.9209820E-03 Metallicity 0.7528175E+00 Ellipticity -0.1493710E+01 Gb(Abramov) 0.6594087E-02 Vb(Abramov) -0.4863738E-02 Hb(Abramov) 0.1730348E-02 Ex_ueg -0.1309317E-02 Ec_ueg -0.3067533E-03 Delta_ex -0.1533821E-02 Delta_ec 0.4879759E-03 Delta_et -0.3323481E-02 Pxc 0.4268306E+01 Qxc -0.3143230E+01 3,+1 84 3 +1 -1.765068 1.735340 -1.744965 Rho 0.1202831E-01 |GRAD(Rho)| 0.2372255E-16 GRAD(Rho)x -0.1275238E-16 GRAD(Rho)y -0.1995168E-16 GRAD(Rho)z -0.1437537E-17 Laplacian 0.6051267E-01 (-1/4)Del**2(Rho)) -0.1512817E-01 Diamond 0.2436080E-02 Metallicity 0.7190756E+00 Ellipticity -0.1248060E+01 Gb(Abramov) 0.1189849E-01 Vb(Abramov) -0.8668821E-02 Hb(Abramov) 0.3229673E-02 Ex_ueg -0.2035438E-02 Ec_ueg -0.4608760E-03 Delta_ex -0.2977316E-02 Delta_ec 0.7872429E-03 Delta_et -0.5905039E-02 Pxc 0.4416454E+01 Qxc -0.3781954E+01 3,+1 85 3 -1 -2.774787 1.857417 -0.546342 Rho 0.1143580E+00 |GRAD(Rho)| 0.9960987E-16 GRAD(Rho)x -0.4653938E-16 GRAD(Rho)y 0.8239937E-16 GRAD(Rho)z 0.3108950E-16 Laplacian 0.4746320E+00 (-1/4)Del**2(Rho)) -0.1186580E+00 Diamond 0.6892913E+00 Metallicity 0.3911712E+01 Ellipticity 0.7183638E-02 Gb(Abramov) 0.1564647E+00 Vb(Abramov) -0.1942713E+00 Hb(Abramov) -0.3780666E-01 Ex_ueg -0.4099589E-01 Ec_ueg -0.6202729E-02 Delta_ex -0.4766970E-01 Delta_ec 0.1272403E-01 Delta_et -0.1619585E+00 Pxc 0.6609331E+01 Qxc -0.3746432E+01 3,-1 86 3 -1 -1.944264 -3.015487 -0.865666 Rho 0.1491094E+00 |GRAD(Rho)| 0.3102797E-14 GRAD(Rho)x -0.1807324E-14 GRAD(Rho)y 0.1240083E-14 GRAD(Rho)z 0.2196160E-14 Laplacian 0.5857052E+00 (-1/4)Del**2(Rho)) -0.1464263E+00 Diamond 0.1183324E+01 Metallicity 0.4932978E+01 Ellipticity 0.4747960E-01 Gb(Abramov) 0.2180038E+00 Vb(Abramov) -0.2895813E+00 Hb(Abramov) -0.7157751E-01 Ex_ueg -0.5839717E-01 Ec_ueg -0.8386527E-02 Delta_ex -0.6285596E-01 Delta_ec 0.1496964E-01 Delta_et -0.1993088E+00 Pxc 0.6963212E+01 Qxc -0.4198895E+01 3,-1 87 3 -1 -1.699618 -1.748673 -0.525853 Rho 0.5084358E-01 |GRAD(Rho)| 0.3460334E-14 GRAD(Rho)x -0.2566911E-14 GRAD(Rho)y -0.2165868E-14 GRAD(Rho)z 0.8330050E-15 Laplacian 0.2082968E+00 (-1/4)Del**2(Rho)) -0.5207421E-01 Diamond 0.1073681E+00 Metallicity 0.2308469E+01 Ellipticity 0.1270270E-01 Gb(Abramov) 0.5475142E-01 Vb(Abramov) -0.5742863E-01 Hb(Abramov) -0.2677212E-02 Ex_ueg -0.1391126E-01 Ec_ueg -0.2461557E-02 Delta_ex -0.1719035E-01 Delta_ec 0.6156544E-02 Delta_et -0.6518869E-01 Pxc 0.5651408E+01 Qxc -0.2792208E+01 3,-1 88 3 -1 -2.736304 -1.825994 0.548009 Rho 0.1339102E+00 |GRAD(Rho)| 0.2353184E-15 GRAD(Rho)x -0.1438194E-15 GRAD(Rho)y 0.1499994E-15 GRAD(Rho)z 0.1104124E-15 Laplacian 0.5634423E+00 (-1/4)Del**2(Rho)) -0.1408606E+00 Diamond 0.9993143E+00 Metallicity 0.4286666E+01 Ellipticity 0.8445325E-02 Gb(Abramov) 0.1945441E+00 Vb(Abramov) -0.2482276E+00 Hb(Abramov) -0.5368353E-01 Ex_ueg -0.5059837E-01 Ec_ueg -0.7421633E-02 Delta_ex -0.5889112E-01 Delta_ec 0.1475977E-01 Delta_et -0.1933177E+00 Pxc 0.6817687E+01 Qxc -0.3989974E+01 3,-1 89 3 +1 -1.050920 -2.164483 -1.414760 Rho 0.2784096E-01 |GRAD(Rho)| 0.9275299E-15 GRAD(Rho)x -0.9043566E-15 GRAD(Rho)y 0.2027204E-15 GRAD(Rho)z -0.3681316E-16 Laplacian 0.1116595E+00 (-1/4)Del**2(Rho)) -0.2791488E-01 Diamond 0.1609630E-01 Metallicity 0.1578306E+01 Ellipticity -0.3034853E+01 Gb(Abramov) 0.2595295E-01 Vb(Abramov) -0.2399103E-01 Hb(Abramov) 0.1961923E-02 Ex_ueg -0.6232047E-02 Ec_ueg -0.1232789E-02 Delta_ex -0.7068743E-02 Delta_ec 0.1753506E-02 Delta_et -0.1590906E-01 Pxc 0.5055242E+01 Qxc -0.4031205E+01 3,+1 90 3 +3 1.105040 -1.125991 -1.111018 Rho 0.5153673E-02 |GRAD(Rho)| 0.1071630E-16 GRAD(Rho)x 0.5734678E-19 GRAD(Rho)y -0.6783731E-17 GRAD(Rho)z -0.8295583E-17 Laplacian 0.1995229E-01 (-1/4)Del**2(Rho)) -0.4988071E-02 Diamond 0.1449120E-03 Metallicity 0.5310662E+00 Ellipticity -0.1166646E+00 Gb(Abramov) 0.3766880E-02 Vb(Abramov) -0.2545689E-02 Hb(Abramov) 0.1221191E-02 Ex_ueg -0.6574674E-03 Ec_ueg -0.1535320E-03 Delta_ex -0.6948736E-03 Delta_ec 0.8737778E-04 Delta_et -0.6968000E-03 Pxc 0.4282283E+01 Qxc -0.7952520E+01 3,+3 91 3 -1 -1.796357 2.798893 -0.561187 Rho 0.1385348E+00 |GRAD(Rho)| 0.5953897E-15 GRAD(Rho)x -0.5492839E-15 GRAD(Rho)y 0.3188910E-16 GRAD(Rho)z 0.2275063E-15 Laplacian 0.5836296E+00 (-1/4)Del**2(Rho)) -0.1459074E+00 Diamond 0.1057064E+01 Metallicity 0.4379328E+01 Ellipticity 0.2018328E-01 Gb(Abramov) 0.2037677E+00 Vb(Abramov) -0.2616279E+00 Hb(Abramov) -0.5786027E-01 Ex_ueg -0.5294160E-01 Ec_ueg -0.7713668E-02 Delta_ex -0.6127101E-01 Delta_ec 0.1474561E-01 Delta_et -0.1933035E+00 Pxc 0.6863350E+01 Qxc -0.4155203E+01 3,-1 92 3 -1 -1.974817 3.026317 0.871694 Rho 0.1437036E+00 |GRAD(Rho)| 0.3615905E-15 GRAD(Rho)x 0.2625802E-15 GRAD(Rho)y 0.1363655E-15 GRAD(Rho)z 0.2078551E-15 Laplacian 0.5633989E+00 (-1/4)Del**2(Rho)) -0.1408497E+00 Diamond 0.1074364E+01 Metallicity 0.4822180E+01 Ellipticity 0.6101991E-01 Gb(Abramov) 0.2071003E+00 Vb(Abramov) -0.2733508E+00 Hb(Abramov) -0.6625055E-01 Ex_ueg -0.5559154E-01 Ec_ueg -0.8041682E-02 Delta_ex -0.5976515E-01 Delta_ec 0.1425770E-01 Delta_et -0.1882299E+00 Pxc 0.6912925E+01 Qxc -0.4191782E+01 3,-1 93 3 +1 -1.330614 2.176720 1.127792 Rho 0.2783882E-01 |GRAD(Rho)| 0.1752973E-16 GRAD(Rho)x 0.9478626E-17 GRAD(Rho)y -0.3674656E-17 GRAD(Rho)z 0.1428090E-16 Laplacian 0.1130848E+00 (-1/4)Del**2(Rho)) -0.2827120E-01 Diamond 0.1801147E-01 Metallicity 0.1558213E+01 Ellipticity -0.5207347E+01 Gb(Abramov) 0.2618956E-01 Vb(Abramov) -0.2410792E-01 Hb(Abramov) 0.2081639E-02 Ex_ueg -0.6231407E-02 Ec_ueg -0.1232679E-02 Delta_ex -0.7319862E-02 Delta_ec 0.2063412E-02 Delta_et -0.1867339E-01 Pxc 0.5055172E+01 Qxc -0.3547455E+01 3,+1 94 3 +1 -1.650678 -0.520573 0.542272 Rho 0.9285437E-02 |GRAD(Rho)| 0.9582795E-14 GRAD(Rho)x 0.6869328E-14 GRAD(Rho)y 0.4278110E-14 GRAD(Rho)z -0.5132256E-14 Laplacian 0.3622291E-01 (-1/4)Del**2(Rho)) -0.9055727E-02 Diamond 0.1061005E-02 Metallicity 0.7803697E+00 Ellipticity -0.1461579E+01 Gb(Abramov) 0.7214954E-02 Vb(Abramov) -0.5374181E-02 Hb(Abramov) 0.1840773E-02 Ex_ueg -0.1441412E-02 Ec_ueg -0.3357518E-03 Delta_ex -0.1681163E-02 Delta_ec 0.4986589E-03 Delta_et -0.3484766E-02 Pxc 0.4293088E+01 Qxc -0.3371368E+01 3,+1 95 3 -1 -2.037356 -0.830885 -2.967767 Rho 0.1107653E+00 |GRAD(Rho)| 0.5449632E-16 GRAD(Rho)x 0.1226165E-16 GRAD(Rho)y -0.5360024E-17 GRAD(Rho)z 0.5282775E-16 Laplacian 0.4302741E+00 (-1/4)Del**2(Rho)) -0.1075685E+00 Diamond 0.6033246E+00 Metallicity 0.4091419E+01 Ellipticity 0.2402815E-01 Gb(Abramov) 0.1450637E+00 Vb(Abramov) -0.1825588E+00 Hb(Abramov) -0.3749515E-01 Ex_ueg -0.3928769E-01 Ec_ueg -0.5981665E-02 Delta_ex -0.4291884E-01 Delta_ec 0.1167327E-01 Delta_et -0.1478038E+00 Pxc 0.6568020E+01 Qxc -0.3676677E+01 3,-1 96 3 +1 -2.173809 -1.096485 -1.354901 Rho 0.2844949E-01 |GRAD(Rho)| 0.7267264E-14 GRAD(Rho)x 0.7316137E-15 GRAD(Rho)y 0.5212004E-14 GRAD(Rho)z -0.5011275E-14 Laplacian 0.1156221E+00 (-1/4)Del**2(Rho)) -0.2890553E-01 Diamond 0.1838190E-01 Metallicity 0.1580143E+01 Ellipticity -0.4240073E+01 Gb(Abramov) 0.2688283E-01 Vb(Abramov) -0.2486013E-01 Hb(Abramov) 0.2022698E-02 Ex_ueg -0.6414326E-02 Ec_ueg -0.1263911E-02 Delta_ex -0.7473354E-02 Delta_ec 0.2013132E-02 Delta_et -0.1832794E-01 Pxc 0.5074983E+01 Qxc -0.3712302E+01 3,+1 97 3 -1 -1.831776 -0.550698 2.759321 Rho 0.1338454E+00 |GRAD(Rho)| 0.1803926E-15 GRAD(Rho)x 0.6245005E-16 GRAD(Rho)y -0.7589415E-16 GRAD(Rho)z 0.1512665E-15 Laplacian 0.5602376E+00 (-1/4)Del**2(Rho)) -0.1400594E+00 Diamond 0.9929197E+00 Metallicity 0.4307714E+01 Ellipticity 0.1171282E-01 Gb(Abramov) 0.1939289E+00 Vb(Abramov) -0.2477984E+00 Hb(Abramov) -0.5386951E-01 Ex_ueg -0.5056576E-01 Ec_ueg -0.7417554E-02 Delta_ex -0.5854776E-01 Delta_ec 0.1467476E-01 Delta_et -0.1921842E+00 Pxc 0.6817039E+01 Qxc -0.3989690E+01 3,-1 98 3 +1 -0.188002 -0.198033 -2.902185 Rho 0.5242958E-02 |GRAD(Rho)| 0.1259223E-16 GRAD(Rho)x 0.8585907E-17 GRAD(Rho)y -0.9196681E-17 GRAD(Rho)z -0.5173137E-18 Laplacian 0.2178285E-01 (-1/4)Del**2(Rho)) -0.5445713E-02 Diamond 0.4994867E-03 Metallicity 0.5005634E+00 Ellipticity -0.2163665E+01 Gb(Abramov) 0.4084796E-02 Vb(Abramov) -0.2723879E-02 Hb(Abramov) 0.1360917E-02 Ex_ueg -0.6726982E-03 Ec_ueg -0.1573832E-03 Delta_ex -0.1056450E-02 Delta_ec 0.6206377E-03 Delta_et -0.3445182E-02 Pxc 0.4274269E+01 Qxc -0.1702200E+01 3,+1 99 3 -1 -1.852048 0.554136 -2.748639 Rho 0.1220692E+00 |GRAD(Rho)| 0.1291881E-13 GRAD(Rho)x -0.1155105E-13 GRAD(Rho)y -0.1639829E-14 GRAD(Rho)z -0.5547954E-14 Laplacian 0.5098431E+00 (-1/4)Del**2(Rho)) -0.1274608E+00 Diamond 0.7985482E+00 Metallicity 0.4059947E+01 Ellipticity 0.2534228E-02 Gb(Abramov) 0.1712212E+00 Vb(Abramov) -0.2149816E+00 Hb(Abramov) -0.4376041E-01 Ex_ueg -0.4472257E-01 Ec_ueg -0.6680330E-02 Delta_ex -0.5197883E-01 Delta_ec 0.1340679E-01 Delta_et -0.1725105E+00 Pxc 0.6694665E+01 Qxc -0.3877054E+01 3,-1 100 3 +1 -1.258714 1.198201 2.172006 Rho 0.2973193E-01 |GRAD(Rho)| 0.1215919E-15 GRAD(Rho)x -0.4017675E-16 GRAD(Rho)y 0.2405570E-16 GRAD(Rho)z 0.1122129E-15 Laplacian 0.1226242E+00 (-1/4)Del**2(Rho)) -0.3065605E-01 Diamond 0.2210057E-01 Metallicity 0.1603524E+01 Ellipticity -0.8990382E+01 Gb(Abramov) 0.2863032E-01 Vb(Abramov) -0.2660458E-01 Hb(Abramov) 0.2025731E-02 Ex_ueg -0.6802718E-02 Ec_ueg -0.1329788E-02 Delta_ex -0.8139730E-02 Delta_ec 0.2348154E-02 Delta_et -0.2158576E-01 Pxc 0.5115641E+01 Qxc -0.3466439E+01 3,+1 101 3 +3 0.008707 2.321692 -0.012825 Rho 0.4616343E-02 |GRAD(Rho)| 0.1747361E-14 GRAD(Rho)x -0.8596110E-15 GRAD(Rho)y -0.1288323E-14 GRAD(Rho)z 0.8090499E-15 Laplacian 0.1889454E-01 (-1/4)Del**2(Rho)) -0.4723635E-02 Diamond 0.1720900E-03 Metallicity 0.4667743E+00 Ellipticity -0.3095181E+00 Gb(Abramov) 0.3516569E-02 Vb(Abramov) -0.2309502E-02 Hb(Abramov) 0.1207066E-02 Ex_ueg -0.5676960E-03 Ec_ueg -0.1304400E-03 Delta_ex -0.6940915E-03 Delta_ec 0.1824469E-03 Delta_et -0.1135469E-02 Pxc 0.4352161E+01 Qxc -0.3804347E+01 3,+3 102 3 -1 -0.843765 -2.969220 -2.038585 Rho 0.1240282E+00 |GRAD(Rho)| 0.9346009E-16 GRAD(Rho)x -0.1614784E-16 GRAD(Rho)y -0.5830975E-16 GRAD(Rho)z 0.7123208E-16 Laplacian 0.4815965E+00 (-1/4)Del**2(Rho)) -0.1203991E+00 Diamond 0.7720205E+00 Metallicity 0.4413645E+01 Ellipticity 0.3661288E-01 Gb(Abramov) 0.1688326E+00 Vb(Abramov) -0.2172660E+00 Hb(Abramov) -0.4843346E-01 Ex_ueg -0.4568207E-01 Ec_ueg -0.6802320E-02 Delta_ex -0.4932736E-01 Delta_ec 0.1268831E-01 Delta_et -0.1638286E+00 Pxc 0.6715660E+01 Qxc -0.3887623E+01 3,-1 103 3 +1 -0.148126 -2.898098 -0.168661 Rho 0.5338883E-02 |GRAD(Rho)| 0.2745088E-14 GRAD(Rho)x -0.2131896E-14 GRAD(Rho)y -0.1636366E-15 GRAD(Rho)z -0.1721555E-14 Laplacian 0.2183162E-01 (-1/4)Del**2(Rho)) -0.5457905E-02 Diamond 0.5369540E-03 Metallicity 0.5147676E+00 Ellipticity -0.2887758E+01 Gb(Abramov) 0.4106862E-02 Vb(Abramov) -0.2755819E-02 Hb(Abramov) 0.1351043E-02 Ex_ueg -0.6891582E-03 Ec_ueg -0.1615253E-03 Delta_ex -0.1083093E-02 Delta_ec 0.6584612E-03 Delta_et -0.3658706E-02 Pxc 0.4266564E+01 Qxc -0.1644885E+01 3,+1 104 3 -1 -0.861703 1.963262 3.000977 Rho 0.1431061E+00 |GRAD(Rho)| 0.5184426E-15 GRAD(Rho)x 0.4999256E-15 GRAD(Rho)y 0.1337634E-15 GRAD(Rho)z 0.3105562E-16 Laplacian 0.5641924E+00 (-1/4)Del**2(Rho)) -0.1410481E+00 Diamond 0.1083942E+01 Metallicity 0.4782074E+01 Ellipticity 0.3927713E-01 Gb(Abramov) 0.2064491E+00 Vb(Abramov) -0.2718502E+00 Hb(Abramov) -0.6540105E-01 Ex_ueg -0.5528356E-01 Ec_ueg -0.8003677E-02 Delta_ex -0.5993077E-01 Delta_ec 0.1454690E-01 Delta_et -0.1924882E+00 Pxc 0.6907270E+01 Qxc -0.4119831E+01 3,-1 105 3 -1 -0.841848 2.974918 2.016600 Rho 0.1290871E+00 |GRAD(Rho)| 0.1301087E-13 GRAD(Rho)x 0.9295787E-14 GRAD(Rho)y -0.4888132E-14 GRAD(Rho)z 0.7679668E-14 Laplacian 0.5076187E+00 (-1/4)Del**2(Rho)) -0.1269047E+00 Diamond 0.8646594E+00 Metallicity 0.4475899E+01 Ellipticity 0.2378697E-01 Gb(Abramov) 0.1792719E+00 Vb(Abramov) -0.2316391E+00 Hb(Abramov) -0.5236720E-01 Ex_ueg -0.4818319E-01 Ec_ueg -0.7118552E-02 Delta_ex -0.5262758E-01 Delta_ec 0.1348350E-01 Delta_et -0.1756852E+00 Pxc 0.6768678E+01 Qxc -0.3903111E+01 3,-1 106 3 +1 0.196889 -2.897094 0.190255 Rho 0.5302599E-02 |GRAD(Rho)| 0.5200118E-17 GRAD(Rho)x 0.1971006E-17 GRAD(Rho)y 0.9822349E-18 GRAD(Rho)z -0.4710794E-17 Laplacian 0.2195413E-01 (-1/4)Del**2(Rho)) -0.5488531E-02 Diamond 0.5196291E-03 Metallicity 0.5061102E+00 Ellipticity -0.2355633E+01 Gb(Abramov) 0.4121988E-02 Vb(Abramov) -0.2755444E-02 Hb(Abramov) 0.1366544E-02 Ex_ueg -0.6829205E-03 Ec_ueg -0.1599580E-03 Delta_ex -0.1074475E-02 Delta_ec 0.6385379E-03 Delta_et -0.3550687E-02 Pxc 0.4269373E+01 Qxc -0.1682711E+01 3,+1 107 3 -1 -0.873917 -1.965874 -3.036424 Rho 0.1530684E+00 |GRAD(Rho)| 0.3700633E-15 GRAD(Rho)x -0.2257580E-15 GRAD(Rho)y 0.2245247E-15 GRAD(Rho)z -0.1885970E-15 Laplacian 0.5975544E+00 (-1/4)Del**2(Rho)) -0.1493886E+00 Diamond 0.1229557E+01 Metallicity 0.5051010E+01 Ellipticity 0.6948720E-01 Gb(Abramov) 0.2253529E+00 Vb(Abramov) -0.3013173E+00 Hb(Abramov) -0.7596435E-01 Ex_ueg -0.6047359E-01 Ec_ueg -0.8640223E-02 Delta_ex -0.6438377E-01 Delta_ec 0.1489116E-01 Delta_et -0.1983224E+00 Pxc 0.6999077E+01 Qxc -0.4323624E+01 3,-1 108 3 -1 0.846923 -2.972797 2.042148 Rho 0.1222809E+00 |GRAD(Rho)| 0.1963395E-15 GRAD(Rho)x -0.1080407E-15 GRAD(Rho)y 0.1060146E-15 GRAD(Rho)z 0.1250492E-15 Laplacian 0.4744809E+00 (-1/4)Del**2(Rho)) -0.1186202E+00 Diamond 0.7486854E+00 Metallicity 0.4375141E+01 Ellipticity 0.3679343E-01 Gb(Abramov) 0.1655769E+00 Vb(Abramov) -0.2125335E+00 Hb(Abramov) -0.4695663E-01 Ex_ueg -0.4482599E-01 Ec_ueg -0.6693497E-02 Delta_ex -0.4844572E-01 Delta_ec 0.1256462E-01 Delta_et -0.1618809E+00 Pxc 0.6696946E+01 Qxc -0.3855725E+01 3,-1 109 3 -1 -0.569939 -1.787061 2.807756 Rho 0.1375293E+00 |GRAD(Rho)| 0.1081291E-15 GRAD(Rho)x 0.8146424E-16 GRAD(Rho)y 0.1847209E-16 GRAD(Rho)z 0.6866049E-16 Laplacian 0.5799258E+00 (-1/4)Del**2(Rho)) -0.1449815E+00 Diamond 0.1041600E+01 Metallicity 0.4354111E+01 Ellipticity 0.1897643E-01 Gb(Abramov) 0.2018652E+00 Vb(Abramov) -0.2587489E+00 Hb(Abramov) -0.5688374E-01 Ex_ueg -0.5242987E-01 Ec_ueg -0.7650054E-02 Delta_ex -0.6077835E-01 Delta_ec 0.1468615E-01 Delta_et -0.1923337E+00 Pxc 0.6853529E+01 Qxc -0.4138480E+01 3,-1 110 3 +1 -0.550468 0.507924 -1.665165 Rho 0.8846289E-02 |GRAD(Rho)| 0.1177281E-16 GRAD(Rho)x -0.3542199E-17 GRAD(Rho)y 0.7198106E-17 GRAD(Rho)z -0.8616211E-17 Laplacian 0.3443963E-01 (-1/4)Del**2(Rho)) -0.8609907E-02 Diamond 0.9598187E-03 Metallicity 0.7571057E+00 Ellipticity -0.1462287E+01 Gb(Abramov) 0.6826373E-02 Vb(Abramov) -0.5042839E-02 Hb(Abramov) 0.1783534E-02 Ex_ueg -0.1351242E-02 Ec_ueg -0.3160132E-03 Delta_ex -0.1585507E-02 Delta_ec 0.4861747E-03 Delta_et -0.3345923E-02 Pxc 0.4275905E+01 Qxc -0.3261188E+01 3,+1 111 3 -1 -0.559068 2.743272 -1.831000 Rho 0.1314187E+00 |GRAD(Rho)| 0.2090512E-15 GRAD(Rho)x -0.5883152E-16 GRAD(Rho)y 0.1831624E-16 GRAD(Rho)z -0.1997643E-15 Laplacian 0.5512447E+00 (-1/4)Del**2(Rho)) -0.1378112E+00 Diamond 0.9566720E+00 Metallicity 0.4246494E+01 Ellipticity 0.1317278E-01 Gb(Abramov) 0.1894098E+00 Vb(Abramov) -0.2410085E+00 Hb(Abramov) -0.5159867E-01 Ex_ueg -0.4934705E-01 Ec_ueg -0.7264876E-02 Delta_ex -0.5736501E-01 Delta_ec 0.1452249E-01 Delta_et -0.1896711E+00 Pxc 0.6792552E+01 Qxc -0.3950081E+01 3,-1 112 3 +1 -0.167381 2.888751 0.156878 Rho 0.5279945E-02 |GRAD(Rho)| 0.5096635E-16 GRAD(Rho)x -0.3097892E-16 GRAD(Rho)y -0.3166450E-17 GRAD(Rho)z 0.4034661E-16 Laplacian 0.2178830E-01 (-1/4)Del**2(Rho)) -0.5447075E-02 Diamond 0.5409689E-03 Metallicity 0.5063360E+00 Ellipticity -0.3135502E+01 Gb(Abramov) 0.4091059E-02 Vb(Abramov) -0.2735042E-02 Hb(Abramov) 0.1356017E-02 Ex_ueg -0.6790331E-03 Ec_ueg -0.1589798E-03 Delta_ex -0.1089821E-02 Delta_ec 0.6772328E-03 Delta_et -0.3742136E-02 Pxc 0.4271191E+01 Qxc -0.1609226E+01 3,+1 113 3 -1 -0.028340 2.895403 0.018586 Rho 0.5300866E-02 |GRAD(Rho)| 0.1543298E-15 GRAD(Rho)x 0.3313888E-16 GRAD(Rho)y -0.1196346E-15 GRAD(Rho)z -0.9168999E-16 Laplacian 0.2133008E-01 (-1/4)Del**2(Rho)) -0.5332520E-02 Diamond 0.6225204E-03 Metallicity 0.5206334E+00 Ellipticity 0.3156052E+01 Gb(Abramov) 0.4017728E-02 Vb(Abramov) -0.2702936E-02 Hb(Abramov) 0.1314792E-02 Ex_ueg -0.6826228E-03 Ec_ueg -0.1598832E-03 Delta_ex -0.1145123E-02 Delta_ec 0.8011749E-03 Delta_et -0.4376031E-02 Pxc 0.4269510E+01 Qxc -0.1429304E+01 3,-1 114 3 -1 -0.521709 1.706885 1.746175 Rho 0.4880838E-01 |GRAD(Rho)| 0.5168694E-14 GRAD(Rho)x 0.3482463E-14 GRAD(Rho)y -0.2202565E-14 GRAD(Rho)z 0.3120346E-14 Laplacian 0.1988238E+00 (-1/4)Del**2(Rho)) -0.4970596E-01 Diamond 0.9665050E-01 Metallicity 0.2259273E+01 Ellipticity 0.1452834E-01 Gb(Abramov) 0.5185386E-01 Vb(Abramov) -0.5400176E-01 Hb(Abramov) -0.2147901E-02 Ex_ueg -0.1317379E-01 Ec_ueg -0.2349112E-02 Delta_ex -0.1622718E-01 Delta_ec 0.5854717E-02 Delta_et -0.6132986E-01 Pxc 0.5607989E+01 Qxc -0.2771642E+01 3,-1 115 3 +3 -0.029364 -0.043591 -2.330135 Rho 0.4647143E-02 |GRAD(Rho)| 0.6651513E-17 GRAD(Rho)x -0.2397883E-17 GRAD(Rho)y 0.8557666E-18 GRAD(Rho)z 0.6144953E-17 Laplacian 0.1898568E-01 (-1/4)Del**2(Rho)) -0.4746421E-02 Diamond 0.1743986E-03 Metallicity 0.4697106E+00 Ellipticity -0.3580841E+00 Gb(Abramov) 0.3535855E-02 Vb(Abramov) -0.2325288E-02 Hb(Abramov) 0.1210566E-02 Ex_ueg -0.5727518E-03 Ec_ueg -0.1317597E-03 Delta_ex -0.6985279E-03 Delta_ec 0.1831642E-03 Delta_et -0.1141992E-02 Pxc 0.4346943E+01 Qxc -0.3813670E+01 3,+3 116 3 -1 -0.476054 -0.479273 -0.462159 Rho 0.1879429E+00 |GRAD(Rho)| 0.4124996E-15 GRAD(Rho)x -0.1526557E-15 GRAD(Rho)y 0.2012279E-15 GRAD(Rho)z 0.3261280E-15 Laplacian 0.5207811E+00 (-1/4)Del**2(Rho)) -0.1301953E+00 Diamond 0.1409323E+01 Metallicity 0.8159581E+01 Ellipticity 0.3369630E-02 Gb(Abramov) 0.2638533E+00 Vb(Abramov) -0.3975114E+00 Hb(Abramov) -0.1336580E+00 Ex_ueg -0.7950961E-01 Ec_ueg -0.1091523E-01 Delta_ex -0.5935259E-01 Delta_ec 0.1280648E-01 Delta_et -0.1761629E+00 Pxc 0.7284281E+01 Qxc -0.4634576E+01 3,-1 117 3 +1 0.516831 -0.559017 -1.668551 Rho 0.8697959E-02 |GRAD(Rho)| 0.1427705E-16 GRAD(Rho)x 0.1069961E-16 GRAD(Rho)y 0.9170607E-17 GRAD(Rho)z 0.2291820E-17 Laplacian 0.3379427E-01 (-1/4)Del**2(Rho)) -0.8448568E-02 Diamond 0.9264160E-03 Metallicity 0.7501227E+00 Ellipticity -0.1464774E+01 Gb(Abramov) 0.6688622E-02 Vb(Abramov) -0.4928677E-02 Hb(Abramov) 0.1759946E-02 Ex_ueg -0.1321118E-02 Ec_ueg -0.3093652E-03 Delta_ex -0.1551826E-02 Delta_ec 0.4818546E-03 Delta_et -0.3297945E-02 Pxc 0.4270415E+01 Qxc -0.3220527E+01 3,+1 118 3 +1 0.181003 -0.193895 2.895712 Rho 0.5359013E-02 |GRAD(Rho)| 0.1564089E-13 GRAD(Rho)x -0.5523857E-15 GRAD(Rho)y -0.1553195E-13 GRAD(Rho)z -0.1758110E-14 Laplacian 0.2230825E-01 (-1/4)Del**2(Rho)) -0.5577063E-02 Diamond 0.5257410E-03 Metallicity 0.5069390E+00 Ellipticity -0.2204808E+01 Gb(Abramov) 0.4189247E-02 Vb(Abramov) -0.2801431E-02 Hb(Abramov) 0.1387816E-02 Ex_ueg -0.6926250E-03 Ec_ueg -0.1623952E-03 Delta_ex -0.1085789E-02 Delta_ec 0.6339611E-03 Delta_et -0.3542806E-02 Pxc 0.4265059E+01 Qxc -0.1712706E+01 3,+1 119 3 +1 -0.150481 0.135508 2.890812 Rho 0.5435517E-02 |GRAD(Rho)| 0.2720706E-16 GRAD(Rho)x -0.3651117E-17 GRAD(Rho)y -0.2661292E-16 GRAD(Rho)z -0.4318095E-17 Laplacian 0.2223808E-01 (-1/4)Del**2(Rho)) -0.5559520E-02 Diamond 0.5839052E-03 Metallicity 0.5206956E+00 Ellipticity -0.4165688E+01 Gb(Abramov) 0.4188816E-02 Vb(Abramov) -0.2818113E-02 Hb(Abramov) 0.1370704E-02 Ex_ueg -0.7058398E-03 Ec_ueg -0.1657027E-03 Delta_ex -0.1126784E-02 Delta_ec 0.7057143E-03 Delta_et -0.3927695E-02 Pxc 0.4259675E+01 Qxc -0.1596657E+01 3,+1 120 3 +3 0.004631 -0.023093 2.332161 Rho 0.4756639E-02 |GRAD(Rho)| 0.3193461E-17 GRAD(Rho)x 0.2565609E-17 GRAD(Rho)y -0.1243343E-17 GRAD(Rho)z 0.1438729E-17 Laplacian 0.1947803E-01 (-1/4)Del**2(Rho)) -0.4869509E-02 Diamond 0.1838548E-03 Metallicity 0.4759578E+00 Ellipticity -0.3194190E+00 Gb(Abramov) 0.3632619E-02 Vb(Abramov) -0.2395730E-02 Hb(Abramov) 0.1236889E-02 Ex_ueg -0.5908157E-03 Ec_ueg -0.1364551E-03 Delta_ex -0.7200961E-03 Delta_ec 0.1864748E-03 Delta_et -0.1171126E-02 Pxc 0.4329745E+01 Qxc -0.3861627E+01 3,+3 121 3 -1 -0.466449 0.467281 0.477179 Rho 0.1858311E+00 |GRAD(Rho)| 0.2322749E-13 GRAD(Rho)x 0.1309716E-13 GRAD(Rho)y -0.1344758E-13 GRAD(Rho)z -0.1368003E-13 Laplacian 0.5125944E+00 (-1/4)Del**2(Rho)) -0.1281486E+00 Diamond 0.1369684E+01 Metallicity 0.8135233E+01 Ellipticity 0.2594736E-02 Gb(Abramov) 0.2591855E+00 Vb(Abramov) -0.3902225E+00 Hb(Abramov) -0.1310369E+00 Ex_ueg -0.7832065E-01 Ec_ueg -0.1077547E-01 Delta_ex -0.5826279E-01 Delta_ec 0.1265895E-01 Delta_et -0.1739747E+00 Pxc 0.7268422E+01 Qxc -0.4602498E+01 3,-1 122 3 +1 0.534094 0.523980 1.664882 Rho 0.9154011E-02 |GRAD(Rho)| 0.8321262E-17 GRAD(Rho)x -0.4029461E-17 GRAD(Rho)y -0.2173996E-17 GRAD(Rho)z -0.6948423E-17 Laplacian 0.3583468E-01 (-1/4)Del**2(Rho)) -0.8958671E-02 Diamond 0.1029581E-02 Metallicity 0.7703037E+00 Ellipticity -0.1451814E+01 Gb(Abramov) 0.7122597E-02 Vb(Abramov) -0.5286523E-02 Hb(Abramov) 0.1836074E-02 Ex_ueg -0.1414274E-02 Ec_ueg -0.3298357E-03 Delta_ex -0.1657164E-02 Delta_ec 0.4934397E-03 Delta_et -0.3435708E-02 Pxc 0.4287814E+01 Qxc -0.3358392E+01 3,+1 123 3 +1 0.548402 1.665157 0.517802 Rho 0.8682328E-02 |GRAD(Rho)| 0.5463100E-17 GRAD(Rho)x -0.2478964E-17 GRAD(Rho)y -0.8367362E-18 GRAD(Rho)z 0.4795839E-17 Laplacian 0.3371233E-01 (-1/4)Del**2(Rho)) -0.8428083E-02 Diamond 0.9197251E-03 Metallicity 0.7496951E+00 Ellipticity -0.1462016E+01 Gb(Abramov) 0.6671804E-02 Vb(Abramov) -0.4915525E-02 Hb(Abramov) 0.1756279E-02 Ex_ueg -0.1317953E-02 Ec_ueg -0.3086652E-03 Delta_ex -0.1546389E-02 Delta_ec 0.4789531E-03 Delta_et -0.3277952E-02 Pxc 0.4269847E+01 Qxc -0.3228685E+01 3,+1 124 3 +3 1.119058 1.121194 1.089744 Rho 0.5229078E-02 |GRAD(Rho)| 0.4828689E-17 GRAD(Rho)x 0.2085263E-17 GRAD(Rho)y 0.4348713E-17 GRAD(Rho)z 0.2379253E-18 Laplacian 0.2034251E-01 (-1/4)Del**2(Rho)) -0.5085628E-02 Diamond 0.1499933E-03 Metallicity 0.5336424E+00 Ellipticity -0.8581532E-01 Gb(Abramov) 0.3842737E-02 Vb(Abramov) -0.2599845E-02 Hb(Abramov) 0.1242892E-02 Ex_ueg -0.6703246E-03 Ec_ueg -0.1567842E-03 Delta_ex -0.7107011E-03 Delta_ec 0.8795485E-04 Delta_et -0.7063976E-03 Pxc 0.4275460E+01 Qxc -0.8080295E+01 3,+3 125 3 -1 -0.053875 0.039515 2.897457 Rho 0.5443278E-02 |GRAD(Rho)| 0.2090427E-17 GRAD(Rho)x 0.5009190E-18 GRAD(Rho)y 0.1861413E-17 GRAD(Rho)z 0.8087680E-18 Laplacian 0.2189245E-01 (-1/4)Del**2(Rho)) -0.5473113E-02 Diamond 0.6488047E-03 Metallicity 0.5301754E+00 Ellipticity 0.3851080E+01 Gb(Abramov) 0.4132360E-02 Vb(Abramov) -0.2791607E-02 Hb(Abramov) 0.1340753E-02 Ex_ueg -0.7071839E-03 Ec_ueg -0.1660384E-03 Delta_ex -0.1169999E-02 Delta_ec 0.8026193E-03 Delta_et -0.4426108E-02 Pxc 0.4259158E+01 Qxc -0.1457726E+01 3,-1 126 3 -1 -0.571113 1.765853 -2.793664 Rho 0.1502636E+00 |GRAD(Rho)| 0.1313981E-15 GRAD(Rho)x 0.5927875E-16 GRAD(Rho)y -0.6369688E-16 GRAD(Rho)z -0.9845911E-16 Laplacian 0.6303418E+00 (-1/4)Del**2(Rho)) -0.1575855E+00 Diamond 0.1275681E+01 Metallicity 0.4642945E+01 Ellipticity 0.1500656E-01 Gb(Abramov) 0.2270004E+00 Vb(Abramov) -0.2964154E+00 Hb(Abramov) -0.6941495E-01 Ex_ueg -0.5900067E-01 Ec_ueg -0.8460393E-02 Delta_ex -0.6767824E-01 Delta_ec 0.1590811E-01 Delta_et -0.2116394E+00 Pxc 0.6973750E+01 Qxc -0.4254322E+01 3,-1 127 3 -1 -0.003059 -2.902067 -0.017443 Rho 0.5366092E-02 |GRAD(Rho)| 0.1865533E-16 GRAD(Rho)x -0.2523920E-17 GRAD(Rho)y -0.1325998E-17 GRAD(Rho)z 0.1843618E-16 Laplacian 0.2141929E-01 (-1/4)Del**2(Rho)) -0.5354822E-02 Diamond 0.6344521E-03 Metallicity 0.5291413E+00 Ellipticity 0.2708235E+01 Gb(Abramov) 0.4042124E-02 Vb(Abramov) -0.2729426E-02 Hb(Abramov) 0.1312698E-02 Ex_ueg -0.6938451E-03 Ec_ueg -0.1627011E-03 Delta_ex -0.1151614E-02 Delta_ec 0.8029773E-03 Delta_et -0.4402786E-02 Pxc 0.4264539E+01 Qxc -0.1434180E+01 3,-1 128 3 -1 -0.541497 -2.758032 1.849808 Rho 0.1211395E+00 |GRAD(Rho)| 0.7428841E-12 GRAD(Rho)x -0.4662699E-12 GRAD(Rho)y -0.1723116E-12 GRAD(Rho)z -0.5520668E-12 Laplacian 0.5062734E+00 (-1/4)Del**2(Rho)) -0.1265684E+00 Diamond 0.7854327E+00 Metallicity 0.4036802E+01 Ellipticity 0.2917769E-02 Gb(Abramov) 0.1695341E+00 Vb(Abramov) -0.2124999E+00 Hb(Abramov) -0.4296578E-01 Ex_ueg -0.4426895E-01 Ec_ueg -0.6622523E-02 Delta_ex -0.5151685E-01 Delta_ec 0.1333060E-01 Delta_et -0.1712972E+00 Pxc 0.6684606E+01 Qxc -0.3864556E+01 3,-1 129 3 -1 -0.061393 -3.152300 3.258201 Rho 0.2418428E+00 |GRAD(Rho)| 0.2077872E-15 GRAD(Rho)x -0.6694948E-16 GRAD(Rho)y 0.1639856E-15 GRAD(Rho)z 0.1086371E-15 Laplacian 0.8633351E+00 (-1/4)Del**2(Rho)) -0.2158338E+00 Diamond 0.3096781E+01 Metallicity 0.7493001E+01 Ellipticity 0.3211434E-03 Gb(Abramov) 0.4134297E+00 Vb(Abramov) -0.6110255E+00 Hb(Abramov) -0.1975959E+00 Ex_ueg -0.1112831E+00 Ec_ueg -0.1456660E-01 Delta_ex -0.1045970E+00 Delta_ec 0.1917121E-01 Delta_et -0.2662580E+00 Pxc 0.7639611E+01 Qxc -0.5455943E+01 3,-1 130 3 +3 0.023117 -2.324935 0.008486 Rho 0.4663300E-02 |GRAD(Rho)| 0.4756067E-17 GRAD(Rho)x 0.3395493E-17 GRAD(Rho)y -0.1486534E-17 GRAD(Rho)z -0.2980104E-17 Laplacian 0.1893899E-01 (-1/4)Del**2(Rho)) -0.4734747E-02 Diamond 0.1733540E-03 Metallicity 0.4736003E+00 Ellipticity -0.3366628E+00 Gb(Abramov) 0.3530227E-02 Vb(Abramov) -0.2325708E-02 Hb(Abramov) 0.1204519E-02 Ex_ueg -0.5754084E-03 Ec_ueg -0.1324521E-03 Delta_ex -0.6959607E-03 Delta_ec 0.1800994E-03 Delta_et -0.1127304E-02 Pxc 0.4344275E+01 Qxc -0.3864315E+01 3,+3 131 3 -1 -0.550026 -1.712033 -1.766093 Rho 0.4224709E-01 |GRAD(Rho)| 0.2931245E-15 GRAD(Rho)x -0.4918424E-16 GRAD(Rho)y 0.2206252E-15 GRAD(Rho)z 0.1866211E-15 Laplacian 0.1783724E+00 (-1/4)Del**2(Rho)) -0.4459310E-01 Diamond 0.7347065E-01 Metallicity 0.1979764E+01 Ellipticity 0.9377424E-02 Gb(Abramov) 0.4444270E-01 Vb(Abramov) -0.4429231E-01 Hb(Abramov) 0.1503947E-03 Ex_ueg -0.1086711E-01 Ec_ueg -0.1991031E-02 Delta_ex -0.1416027E-01 Delta_ec 0.5471504E-02 Delta_et -0.5520453E-01 Pxc 0.5458033E+01 Qxc -0.2588003E+01 3,-1 132 3 -1 -0.062042 3.144341 -3.241706 Rho 0.2519369E+00 |GRAD(Rho)| 0.1847248E-15 GRAD(Rho)x -0.3805550E-16 GRAD(Rho)y -0.8174884E-16 GRAD(Rho)z -0.1612209E-15 Laplacian 0.9193750E+00 (-1/4)Del**2(Rho)) -0.2298437E+00 Diamond 0.3431849E+01 Metallicity 0.7532516E+01 Ellipticity 0.1791672E-02 Gb(Abramov) 0.4417794E+00 Vb(Abramov) -0.6537151E+00 Hb(Abramov) -0.2119357E+00 Ex_ueg -0.1175188E+00 Ec_ueg -0.1526817E-01 Delta_ex -0.1124235E+00 Delta_ec 0.1987903E-01 Delta_et -0.2750815E+00 Pxc 0.7696978E+01 Qxc -0.5655385E+01 3,-1 133 3 -1 0.075598 3.153297 3.236988 Rho 0.2521600E+00 |GRAD(Rho)| 0.1109433E-14 GRAD(Rho)x -0.1849107E-15 GRAD(Rho)y -0.5116350E-15 GRAD(Rho)z -0.9668915E-15 Laplacian 0.9197540E+00 (-1/4)Del**2(Rho)) -0.2299385E+00 Diamond 0.3436548E+01 Metallicity 0.7540529E+01 Ellipticity 0.1344539E-02 Gb(Abramov) 0.4422687E+00 Vb(Abramov) -0.6545989E+00 Hb(Abramov) -0.2123302E+00 Ex_ueg -0.1176576E+00 Ec_ueg -0.1528375E-01 Delta_ex -0.1124942E+00 Delta_ec 0.1987849E-01 Delta_et -0.2750623E+00 Pxc 0.7698218E+01 Qxc -0.5659091E+01 3,-1 134 3 +1 1.347743 2.164099 -1.098462 Rho 0.2781956E-01 |GRAD(Rho)| 0.3757575E-13 GRAD(Rho)x 0.2704303E-13 GRAD(Rho)y 0.1995359E-13 GRAD(Rho)z 0.1680670E-13 Laplacian 0.1124963E+00 (-1/4)Del**2(Rho)) -0.2812408E-01 Diamond 0.1737836E-01 Metallicity 0.1564559E+01 Ellipticity -0.4217038E+01 Gb(Abramov) 0.2608301E-01 Vb(Abramov) -0.2404195E-01 Hb(Abramov) 0.2041065E-02 Ex_ueg -0.6225659E-02 Ec_ueg -0.1231696E-02 Delta_ex -0.7231237E-02 Delta_ec 0.1964842E-02 Delta_et -0.1779072E-01 Pxc 0.5054542E+01 Qxc -0.3680315E+01 3,+1 135 3 -1 1.754999 -0.535683 1.704628 Rho 0.4963109E-01 |GRAD(Rho)| 0.1051220E-15 GRAD(Rho)x -0.5371756E-16 GRAD(Rho)y -0.4919843E-16 GRAD(Rho)z -0.7579293E-16 Laplacian 0.2032097E+00 (-1/4)Del**2(Rho)) -0.5080243E-01 Diamond 0.1012217E+00 Metallicity 0.2272960E+01 Ellipticity 0.1507430E-01 Gb(Abramov) 0.5311360E-01 Vb(Abramov) -0.5542476E-01 Hb(Abramov) -0.2311169E-02 Ex_ueg -0.1347070E-01 Ec_ueg -0.2394492E-02 Delta_ex -0.1666250E-01 Delta_ec 0.5996192E-02 Delta_et -0.6309002E-01 Pxc 0.5625702E+01 Qxc -0.2778848E+01 3,-1 136 3 +1 1.667123 0.553580 0.517654 Rho 0.8743666E-02 |GRAD(Rho)| 0.1579325E-16 GRAD(Rho)x 0.1265684E-16 GRAD(Rho)y 0.6000011E-17 GRAD(Rho)z 0.7295948E-17 Laplacian 0.3390202E-01 (-1/4)Del**2(Rho)) -0.8475504E-02 Diamond 0.9345989E-03 Metallicity 0.7542991E+00 Ellipticity -0.1467730E+01 Gb(Abramov) 0.6715847E-02 Vb(Abramov) -0.4956190E-02 Hb(Abramov) 0.1759657E-02 Ex_ueg -0.1330382E-02 Ec_ueg -0.3114127E-03 Delta_ex -0.1558207E-02 Delta_ec 0.4822631E-03 Delta_et -0.3306103E-02 Pxc 0.4272088E+01 Qxc -0.3231030E+01 3,+1 137 3 -1 0.467249 0.460624 -0.474709 Rho 0.1864588E+00 |GRAD(Rho)| 0.4411112E-15 GRAD(Rho)x -0.1249001E-15 GRAD(Rho)y -0.3642919E-15 GRAD(Rho)z 0.2151057E-15 Laplacian 0.5153649E+00 (-1/4)Del**2(Rho)) -0.1288412E+00 Diamond 0.1383691E+01 Metallicity 0.8137104E+01 Ellipticity 0.3123826E-02 Gb(Abramov) 0.2606266E+00 Vb(Abramov) -0.3924119E+00 Hb(Abramov) -0.1317853E+00 Ex_ueg -0.7867359E-01 Ec_ueg -0.1081699E-01 Delta_ex -0.5863495E-01 Delta_ec 0.1272961E-01 Delta_et -0.1750502E+00 Pxc 0.7273153E+01 Qxc -0.4606185E+01 3,-1 138 3 +1 1.670566 -0.540297 -0.519234 Rho 0.8864679E-02 |GRAD(Rho)| 0.1231385E-14 GRAD(Rho)x 0.5502275E-15 GRAD(Rho)y 0.3098885E-15 GRAD(Rho)z -0.1057132E-14 Laplacian 0.3445671E-01 (-1/4)Del**2(Rho)) -0.8614179E-02 Diamond 0.9625484E-03 Metallicity 0.7593541E+00 Ellipticity -0.1464256E+01 Gb(Abramov) 0.6832988E-02 Vb(Abramov) -0.5051797E-02 Hb(Abramov) 0.1781191E-02 Ex_ueg -0.1354989E-02 Ec_ueg -0.3168381E-03 Delta_ex -0.1586927E-02 Delta_ec 0.4860533E-03 Delta_et -0.3347163E-02 Pxc 0.4276597E+01 Qxc -0.3264923E+01 3,+1 139 3 +1 1.121496 -1.332502 2.181345 Rho 0.2813132E-01 |GRAD(Rho)| 0.3078039E-16 GRAD(Rho)x -0.1819566E-17 GRAD(Rho)y 0.1962602E-18 GRAD(Rho)z -0.3072594E-16 Laplacian 0.1144887E+00 (-1/4)Del**2(Rho)) -0.2862219E-01 Diamond 0.1834085E-01 Metallicity 0.1566152E+01 Ellipticity -0.4888555E+01 Gb(Abramov) 0.2655257E-01 Vb(Abramov) -0.2448296E-01 Hb(Abramov) 0.2069612E-02 Ex_ueg -0.6318858E-02 Ec_ueg -0.1247628E-02 Delta_ex -0.7416682E-02 Delta_ec 0.2062796E-02 Delta_et -0.1871943E-01 Pxc 0.5064698E+01 Qxc -0.3595451E+01 3,+1 140 3 -1 0.540627 -2.750429 -1.859648 Rho 0.1096853E+00 |GRAD(Rho)| 0.4489701E-15 GRAD(Rho)x 0.3545206E-15 GRAD(Rho)y -0.8897234E-16 GRAD(Rho)z 0.2607167E-15 Laplacian 0.4544427E+00 (-1/4)Del**2(Rho)) -0.1136107E+00 Diamond 0.6277617E+00 Metallicity 0.3811078E+01 Ellipticity 0.8807122E-02 Gb(Abramov) 0.1479036E+00 Vb(Abramov) -0.1821966E+00 Hb(Abramov) -0.3429297E-01 Ex_ueg -0.3877777E-01 Ec_ueg -0.5915396E-02 Delta_ex -0.4519494E-01 Delta_ec 0.1230312E-01 Delta_et -0.1554200E+00 Pxc 0.6555397E+01 Qxc -0.3673453E+01 3,-1 141 3 -1 0.575452 1.771339 2.788818 Rho 0.1531601E+00 |GRAD(Rho)| 0.7606314E-13 GRAD(Rho)x -0.4946453E-13 GRAD(Rho)y 0.5684578E-13 GRAD(Rho)z -0.1036431E-13 Laplacian 0.6455087E+00 (-1/4)Del**2(Rho)) -0.1613772E+00 Diamond 0.1335948E+01 Metallicity 0.4680447E+01 Ellipticity 0.1323240E-01 Gb(Abramov) 0.2334710E+00 Vb(Abramov) -0.3055649E+00 Hb(Abramov) -0.7209383E-01 Ex_ueg -0.6052193E-01 Ec_ueg -0.8646115E-02 Delta_ex -0.6962644E-01 Delta_ec 0.1620072E-01 Delta_et -0.2160620E+00 Pxc 0.6999899E+01 Qxc -0.4297737E+01 3,-1 142 3 -1 0.868476 1.953441 -3.007199 Rho 0.1510367E+00 |GRAD(Rho)| 0.2249013E-15 GRAD(Rho)x 0.1429250E-15 GRAD(Rho)y 0.4041364E-16 GRAD(Rho)z 0.1688780E-15 Laplacian 0.5947903E+00 (-1/4)Del**2(Rho)) -0.1486976E+00 Diamond 0.1218511E+01 Metallicity 0.4962722E+01 Ellipticity 0.4643954E-01 Gb(Abramov) 0.2221225E+00 Vb(Abramov) -0.2955474E+00 Hb(Abramov) -0.7342494E-01 Ex_ueg -0.5940572E-01 Ec_ueg -0.8509909E-02 Delta_ex -0.6401430E-01 Delta_ec 0.1512099E-01 Delta_et -0.2016120E+00 Pxc 0.6980770E+01 Qxc -0.4233472E+01 3,-1 143 3 -1 0.529970 1.694450 -1.751171 Rho 0.4887778E-01 |GRAD(Rho)| 0.1743681E-15 GRAD(Rho)x 0.3444163E-16 GRAD(Rho)y -0.1304854E-15 GRAD(Rho)z 0.1104154E-15 Laplacian 0.1998145E+00 (-1/4)Del**2(Rho)) -0.4995363E-01 Diamond 0.9733345E-01 Metallicity 0.2253401E+01 Ellipticity 0.1404937E-01 Gb(Abramov) 0.5206335E-01 Vb(Abramov) -0.5417307E-01 Hb(Abramov) -0.2109719E-02 Ex_ueg -0.1319878E-01 Ec_ueg -0.2352936E-02 Delta_ex -0.1631448E-01 Delta_ec 0.5884899E-02 Delta_et -0.6166920E-01 Pxc 0.5609492E+01 Qxc -0.2772261E+01 3,-1 144 3 +1 1.741172 1.750582 1.738725 Rho 0.1218944E-01 |GRAD(Rho)| 0.3351919E-14 GRAD(Rho)x -0.1876551E-14 GRAD(Rho)y -0.6853452E-15 GRAD(Rho)z 0.2691509E-14 Laplacian 0.6145625E-01 (-1/4)Del**2(Rho)) -0.1536406E-01 Diamond 0.2511870E-02 Metallicity 0.7239132E+00 Ellipticity -0.1250173E+01 Gb(Abramov) 0.1209642E-01 Vb(Abramov) -0.8828770E-02 Hb(Abramov) 0.3267646E-02 Ex_ueg -0.2071873E-02 Ec_ueg -0.4683211E-03 Delta_ex -0.3032180E-02 Delta_ec 0.7955956E-03 Delta_et -0.5990126E-02 Pxc 0.4424045E+01 Qxc -0.3811208E+01 3,+1 145 3 +1 1.317233 1.131720 -2.171658 Rho 0.2957905E-01 |GRAD(Rho)| 0.4839970E-17 GRAD(Rho)x 0.1217523E-17 GRAD(Rho)y 0.1576360E-17 GRAD(Rho)z -0.4411126E-17 Laplacian 0.1207611E+00 (-1/4)Del**2(Rho)) -0.3019028E-01 Diamond 0.2095238E-01 Metallicity 0.1614332E+01 Ellipticity -0.6155004E+01 Gb(Abramov) 0.2824971E-01 Vb(Abramov) -0.2630914E-01 Hb(Abramov) 0.1940569E-02 Ex_ueg -0.6756119E-02 Ec_ueg -0.1321914E-02 Delta_ex -0.7947952E-02 Delta_ec 0.2210412E-02 Delta_et -0.2030278E-01 Pxc 0.5110860E+01 Qxc -0.3595687E+01 3,+1 146 3 -1 0.558663 2.760172 1.825778 Rho 0.1409630E+00 |GRAD(Rho)| 0.2586254E-13 GRAD(Rho)x -0.2500124E-13 GRAD(Rho)y 0.4168798E-14 GRAD(Rho)z 0.5141002E-14 Laplacian 0.5902333E+00 (-1/4)Del**2(Rho)) -0.1475583E+00 Diamond 0.1111418E+01 Metallicity 0.4457569E+01 Ellipticity 0.8916960E-02 Gb(Abramov) 0.2079975E+00 Vb(Abramov) -0.2684366E+00 Hb(Abramov) -0.6043914E-01 Ex_ueg -0.5418245E-01 Ec_ueg -0.7867551E-02 Delta_ex -0.6244306E-01 Delta_ec 0.1523223E-01 Delta_et -0.2010145E+00 Pxc 0.6886826E+01 Qxc -0.4099403E+01 3,-1 147 3 -1 0.838198 2.966579 -2.011542 Rho 0.1340770E+00 |GRAD(Rho)| 0.2332415E-15 GRAD(Rho)x -0.1792322E-15 GRAD(Rho)y -0.1098365E-15 GRAD(Rho)z -0.1010612E-15 Laplacian 0.5260632E+00 (-1/4)Del**2(Rho)) -0.1315158E+00 Diamond 0.9369714E+00 Metallicity 0.4600787E+01 Ellipticity 0.2843754E-01 Gb(Abramov) 0.1885232E+00 Vb(Abramov) -0.2455307E+00 Hb(Abramov) -0.5700743E-01 Ex_ueg -0.5068241E-01 Ec_ueg -0.7432140E-02 Delta_ex -0.5503037E-01 Delta_ec 0.1382928E-01 Delta_et -0.1812689E+00 Pxc 0.6819356E+01 Qxc -0.3979266E+01 3,-1 148 3 -1 0.562325 -1.784793 -2.812405 Rho 0.1363194E+00 |GRAD(Rho)| 0.1275580E-15 GRAD(Rho)x 0.6769487E-16 GRAD(Rho)y 0.1042460E-15 GRAD(Rho)z 0.2865682E-16 Laplacian 0.5735917E+00 (-1/4)Del**2(Rho)) -0.1433979E+00 Diamond 0.1020325E+01 Metallicity 0.4337838E+01 Ellipticity 0.1861108E-01 Gb(Abramov) 0.1992714E+00 Vb(Abramov) -0.2551450E+00 Hb(Abramov) -0.5587351E-01 Ex_ueg -0.5181579E-01 Ec_ueg -0.7573599E-02 Delta_ex -0.5999614E-01 Delta_ec 0.1457700E-01 Delta_et -0.1906936E+00 Pxc 0.6841634E+01 Qxc -0.4115810E+01 3,-1 149 3 +1 1.752225 -1.748059 -1.739463 Rho 0.1198602E-01 |GRAD(Rho)| 0.8297260E-16 GRAD(Rho)x -0.5533418E-16 GRAD(Rho)y 0.7340758E-17 GRAD(Rho)z -0.6138970E-16 Laplacian 0.6010698E-01 (-1/4)Del**2(Rho)) -0.1502675E-01 Diamond 0.2407523E-02 Metallicity 0.7196914E+00 Ellipticity -0.1253024E+01 Gb(Abramov) 0.1182027E-01 Vb(Abramov) -0.8613789E-02 Hb(Abramov) 0.3206479E-02 Ex_ueg -0.2025901E-02 Ec_ueg -0.4589235E-03 Delta_ex -0.2954447E-02 Delta_ec 0.7816732E-03 Delta_et -0.5858433E-02 Pxc 0.4414463E+01 Qxc -0.3779644E+01 3,+1 150 3 -1 0.539483 -1.710724 1.768777 Rho 0.4269198E-01 |GRAD(Rho)| 0.5763751E-16 GRAD(Rho)x 0.2046537E-17 GRAD(Rho)y -0.4617537E-16 GRAD(Rho)z -0.3443443E-16 Laplacian 0.1798959E+00 (-1/4)Del**2(Rho)) -0.4497397E-01 Diamond 0.7511782E-01 Metallicity 0.1997573E+01 Ellipticity 0.1299271E-01 Gb(Abramov) 0.4495577E-01 Vb(Abramov) -0.4493758E-01 Hb(Abramov) 0.1819501E-04 Ex_ueg -0.1101996E-01 Ec_ueg -0.2015085E-02 Delta_ex -0.1431598E-01 Delta_ec 0.5513786E-02 Delta_et -0.5578766E-01 Pxc 0.5468733E+01 Qxc -0.2596397E+01 3,-1 151 3 -1 0.863149 -1.966720 3.024726 Rho 0.1405740E+00 |GRAD(Rho)| 0.2236120E-12 GRAD(Rho)x -0.1682832E-12 GRAD(Rho)y -0.1361314E-12 GRAD(Rho)z -0.5613691E-13 Laplacian 0.5513065E+00 (-1/4)Del**2(Rho)) -0.1378266E+00 Diamond 0.1024268E+01 Metallicity 0.4750383E+01 Ellipticity 0.6058508E-01 Gb(Abramov) 0.2010060E+00 Vb(Abramov) -0.2641853E+00 Hb(Abramov) -0.6317934E-01 Ex_ueg -0.5398319E-01 Ec_ueg -0.7842875E-02 Delta_ex -0.5817252E-01 Delta_ec 0.1403536E-01 Delta_et -0.1847203E+00 Pxc 0.6883088E+01 Qxc -0.4144713E+01 3,-1 152 3 -1 1.831049 0.543397 2.749271 Rho 0.1270892E+00 |GRAD(Rho)| 0.1240190E-11 GRAD(Rho)x 0.1177405E-12 GRAD(Rho)y 0.1212250E-11 GRAD(Rho)z 0.2337892E-12 Laplacian 0.5350655E+00 (-1/4)Del**2(Rho)) -0.1337664E+00 Diamond 0.8921030E+00 Metallicity 0.4137334E+01 Ellipticity 0.1216997E-01 Gb(Abramov) 0.1814170E+00 Vb(Abramov) -0.2290675E+00 Hb(Abramov) -0.4765057E-01 Ex_ueg -0.4719144E-01 Ec_ueg -0.6993457E-02 Delta_ex -0.5523617E-01 Delta_ec 0.1421229E-01 Delta_et -0.1846064E+00 Pxc 0.6747942E+01 Qxc -0.3886508E+01 3,-1 153 3 -1 1.717454 1.752464 -0.542601 Rho 0.4144311E-01 |GRAD(Rho)| 0.3032571E-13 GRAD(Rho)x 0.1950721E-13 GRAD(Rho)y 0.2065228E-13 GRAD(Rho)z 0.1061133E-13 Laplacian 0.1747506E+00 (-1/4)Del**2(Rho)) -0.4368765E-01 Diamond 0.6993880E-01 Metallicity 0.1957109E+01 Ellipticity 0.1093137E-01 Gb(Abramov) 0.4337535E-01 Vb(Abramov) -0.4306304E-01 Hb(Abramov) 0.3123007E-03 Ex_ueg -0.1059225E-01 Ec_ueg -0.1947648E-02 Delta_ex -0.1379683E-01 Delta_ec 0.5342818E-02 Delta_et -0.5362493E-01 Pxc 0.5438481E+01 Qxc -0.2582313E+01 3,-1 154 3 -1 1.746106 0.522226 -1.706229 Rho 0.4817119E-01 |GRAD(Rho)| 0.7626602E-16 GRAD(Rho)x -0.6452485E-16 GRAD(Rho)y 0.2608396E-16 GRAD(Rho)z 0.3118775E-16 Laplacian 0.1962571E+00 (-1/4)Del**2(Rho)) -0.4906427E-01 Diamond 0.9371015E-01 Metallicity 0.2239237E+01 Ellipticity 0.1147212E-01 Gb(Abramov) 0.5102060E-01 Vb(Abramov) -0.5297694E-01 Hb(Abramov) -0.1956335E-02 Ex_ueg -0.1294499E-01 Ec_ueg -0.2314036E-02 Delta_ex -0.1596463E-01 Delta_ec 0.5779449E-02 Delta_et -0.6033367E-01 Pxc 0.5594115E+01 Qxc -0.2762310E+01 3,-1 155 3 -1 1.965072 -3.025667 0.867677 Rho 0.1418854E+00 |GRAD(Rho)| 0.5462608E-15 GRAD(Rho)x 0.5780153E-16 GRAD(Rho)y 0.1398756E-15 GRAD(Rho)z -0.5248758E-15 Laplacian 0.5518311E+00 (-1/4)Del**2(Rho)) -0.1379578E+00 Diamond 0.1039085E+01 Metallicity 0.4819885E+01 Ellipticity 0.5995793E-01 Gb(Abramov) 0.2027953E+00 Vb(Abramov) -0.2676328E+00 Hb(Abramov) -0.6483750E-01 Ex_ueg -0.5465570E-01 Ec_ueg -0.7926105E-02 Delta_ex -0.5838534E-01 Delta_ec 0.1406158E-01 Delta_et -0.1854136E+00 Pxc 0.6895657E+01 Qxc -0.4152119E+01 3,-1 156 3 -1 1.708311 -1.764865 0.533454 Rho 0.4325567E-01 |GRAD(Rho)| 0.2017101E-15 GRAD(Rho)x 0.1350439E-15 GRAD(Rho)y -0.1343490E-15 GRAD(Rho)z -0.6633602E-16 Laplacian 0.1822510E+00 (-1/4)Del**2(Rho)) -0.4556275E-01 Diamond 0.7764653E-01 Metallicity 0.2015340E+01 Ellipticity 0.8127593E-02 Gb(Abramov) 0.4567924E-01 Vb(Abramov) -0.4579573E-01 Hb(Abramov) -0.1164871E-03 Ex_ueg -0.1121439E-01 Ec_ueg -0.2045612E-02 Delta_ex -0.1455980E-01 Delta_ec 0.5601955E-02 Delta_et -0.5688269E-01 Pxc 0.5482171E+01 Qxc -0.2599058E+01 3,-1 157 3 -1 1.780984 -2.807029 -0.573762 Rho 0.1514709E+00 |GRAD(Rho)| 0.6966164E-12 GRAD(Rho)x 0.5078164E-12 GRAD(Rho)y 0.3998189E-13 GRAD(Rho)z 0.4751825E-12 Laplacian 0.6335836E+00 (-1/4)Del**2(Rho)) -0.1583959E+00 Diamond 0.1272098E+01 Metallicity 0.4681207E+01 Ellipticity 0.2920713E-01 Gb(Abramov) 0.2291779E+00 Vb(Abramov) -0.2999600E+00 Hb(Abramov) -0.7078203E-01 Ex_ueg -0.5963354E-01 Ec_ueg -0.8537738E-02 Delta_ex -0.6793898E-01 Delta_ec 0.1556258E-01 Delta_et -0.2063396E+00 Pxc 0.6984700E+01 Qxc -0.4365534E+01 3,-1 158 3 -1 2.020871 0.839027 -2.961338 Rho 0.1297774E+00 |GRAD(Rho)| 0.1269503E-15 GRAD(Rho)x -0.3298685E-16 GRAD(Rho)y 0.9498966E-16 GRAD(Rho)z 0.7749335E-16 Laplacian 0.5108798E+00 (-1/4)Del**2(Rho)) -0.1277200E+00 Diamond 0.8735613E+00 Metallicity 0.4487034E+01 Ellipticity 0.2423587E-01 Gb(Abramov) 0.1806606E+00 Vb(Abramov) -0.2336013E+00 Hb(Abramov) -0.5294065E-01 Ex_ueg -0.4852703E-01 Ec_ueg -0.7161835E-02 Delta_ex -0.5300649E-01 Delta_ec 0.1350445E-01 Delta_et -0.1760237E+00 Pxc 0.6775782E+01 Qxc -0.3925112E+01 3,-1 159 3 +1 2.159073 1.397215 -1.069317 Rho 0.2745951E-01 |GRAD(Rho)| 0.3901178E-14 GRAD(Rho)x 0.1861493E-14 GRAD(Rho)y 0.2917919E-14 GRAD(Rho)z 0.1799941E-14 Laplacian 0.1100605E+00 (-1/4)Del**2(Rho)) -0.2751514E-01 Diamond 0.1607937E-01 Metallicity 0.1564838E+01 Ellipticity -0.3447264E+01 Gb(Abramov) 0.2551955E-01 Vb(Abramov) -0.2352396E-01 Hb(Abramov) 0.1995589E-02 Ex_ueg -0.6118460E-02 Ec_ueg -0.1213327E-02 Delta_ex -0.6990581E-02 Delta_ec 0.1816133E-02 Delta_et -0.1640899E-01 Pxc 0.5042715E+01 Qxc -0.3849156E+01 3,+1 160 3 +1 2.900454 -0.169466 0.180212 Rho 0.5386523E-02 |GRAD(Rho)| 0.6504927E-17 GRAD(Rho)x 0.2117116E-18 GRAD(Rho)y 0.2033694E-17 GRAD(Rho)z 0.6175220E-17 Laplacian 0.2211285E-01 (-1/4)Del**2(Rho)) -0.5528214E-02 Diamond 0.5367779E-03 Metallicity 0.5158015E+00 Ellipticity -0.2537928E+01 Gb(Abramov) 0.4160719E-02 Vb(Abramov) -0.2793225E-02 Hb(Abramov) 0.1367494E-02 Ex_ueg -0.6973698E-03 Ec_ueg -0.1635842E-03 Delta_ex -0.1087514E-02 Delta_ec 0.6464794E-03 Delta_et -0.3610229E-02 Pxc 0.4263063E+01 Qxc -0.1682209E+01 3,+1 161 3 +1 2.167550 -1.429166 1.042622 Rho 0.2779979E-01 |GRAD(Rho)| 0.3055612E-16 GRAD(Rho)x 0.2521230E-16 GRAD(Rho)y -0.1642160E-16 GRAD(Rho)z -0.5324182E-17 Laplacian 0.1111668E+00 (-1/4)Del**2(Rho)) -0.2779171E-01 Diamond 0.1562064E-01 Metallicity 0.1581396E+01 Ellipticity -0.2799945E+01 Gb(Abramov) 0.2585275E-01 Vb(Abramov) -0.2391380E-01 Hb(Abramov) 0.1938954E-02 Ex_ueg -0.6219763E-02 Ec_ueg -0.1230687E-02 Delta_ex -0.6999658E-02 Delta_ec 0.1683166E-02 Delta_et -0.1527593E-01 Pxc 0.5053896E+01 Qxc -0.4158627E+01 3,+1 162 3 -1 1.965063 3.012186 -0.858246 Rho 0.1379953E+00 |GRAD(Rho)| 0.2530085E-15 GRAD(Rho)x 0.8239259E-16 GRAD(Rho)y 0.1741906E-15 GRAD(Rho)z -0.1639585E-15 Laplacian 0.5407311E+00 (-1/4)Del**2(Rho)) -0.1351828E+00 Diamond 0.9826663E+00 Metallicity 0.4696118E+01 Ellipticity 0.5539588E-01 Gb(Abramov) 0.1959276E+00 Vb(Abramov) -0.2566723E+00 Hb(Abramov) -0.6074478E-01 Ex_ueg -0.5266687E-01 Ec_ueg -0.7679527E-02 Delta_ex -0.5680104E-01 Delta_ec 0.1383149E-01 Delta_et -0.1815430E+00 Pxc 0.6858087E+01 Qxc -0.4106646E+01 3,-1 163 3 -1 1.788551 2.801173 0.564035 Rho 0.1315538E+00 |GRAD(Rho)| 0.5128777E-15 GRAD(Rho)x -0.4906828E-15 GRAD(Rho)y 0.7923824E-16 GRAD(Rho)z 0.1264722E-15 Laplacian 0.5530548E+00 (-1/4)Del**2(Rho)) -0.1382637E+00 Diamond 0.9436171E+00 Metallicity 0.4239854E+01 Ellipticity 0.1282837E-01 Gb(Abramov) 0.1898788E+00 Vb(Abramov) -0.2414939E+00 Hb(Abramov) -0.5161509E-01 Ex_ueg -0.4941473E-01 Ec_ueg -0.7273370E-02 Delta_ex -0.5736139E-01 Delta_ec 0.1419834E-01 Delta_et -0.1847732E+00 Pxc 0.6793925E+01 Qxc -0.4040007E+01 3,-1 164 3 +1 2.899027 0.188331 -0.162915 Rho 0.5393455E-02 |GRAD(Rho)| 0.8015291E-14 GRAD(Rho)x 0.4477753E-15 GRAD(Rho)y 0.5231081E-14 GRAD(Rho)z -0.6056416E-14 Laplacian 0.2222069E-01 (-1/4)Del**2(Rho)) -0.5555172E-02 Diamond 0.5487221E-03 Metallicity 0.5143998E+00 Ellipticity -0.2669228E+01 Gb(Abramov) 0.4179711E-02 Vb(Abramov) -0.2804250E-02 Hb(Abramov) 0.1375461E-02 Ex_ueg -0.6985666E-03 Ec_ueg -0.1638839E-03 Delta_ex -0.1100142E-02 Delta_ec 0.6622086E-03 Delta_et -0.3694056E-02 Pxc 0.4262571E+01 Qxc -0.1661323E+01 3,+1 165 3 -1 2.797583 0.571821 1.775856 Rho 0.1492919E+00 |GRAD(Rho)| 0.4750401E-14 GRAD(Rho)x 0.8307699E-17 GRAD(Rho)y -0.3100764E-14 GRAD(Rho)z 0.3598819E-14 Laplacian 0.6270534E+00 (-1/4)Del**2(Rho)) -0.1567633E+00 Diamond 0.1260540E+01 Metallicity 0.4617097E+01 Ellipticity 0.1436096E-01 Gb(Abramov) 0.2251408E+00 Vb(Abramov) -0.2935183E+00 Hb(Abramov) -0.6837749E-01 Ex_ueg -0.5849248E-01 Ec_ueg -0.8398201E-02 Delta_ex -0.6723147E-01 Delta_ec 0.1587511E-01 Delta_et -0.2110673E+00 Pxc 0.6964882E+01 Qxc -0.4235024E+01 3,-1 166 3 -1 2.905248 0.015223 0.003801 Rho 0.5433164E-02 |GRAD(Rho)| 0.2340298E-15 GRAD(Rho)x -0.2305148E-15 GRAD(Rho)y 0.1021951E-16 GRAD(Rho)z -0.3909533E-16 Laplacian 0.2168118E-01 (-1/4)Del**2(Rho)) -0.5420296E-02 Diamond 0.6518059E-03 Metallicity 0.5336848E+00 Ellipticity 0.2666206E+01 Gb(Abramov) 0.4095652E-02 Vb(Abramov) -0.2771008E-02 Hb(Abramov) 0.1324644E-02 Ex_ueg -0.7054325E-03 Ec_ueg -0.1656010E-03 Delta_ex -0.1167342E-02 Delta_ec 0.8109992E-03 Delta_et -0.4464246E-02 Pxc 0.4259833E+01 Qxc -0.1439387E+01 3,-1 167 3 -1 2.959859 -2.033798 0.838901 Rho 0.1134450E+00 |GRAD(Rho)| 0.2708570E-13 GRAD(Rho)x 0.2259077E-13 GRAD(Rho)y -0.1447839E-13 GRAD(Rho)z -0.3697102E-14 Laplacian 0.4407880E+00 (-1/4)Del**2(Rho)) -0.1101970E+00 Diamond 0.6347585E+00 Metallicity 0.4156163E+01 Ellipticity 0.2624692E-01 Gb(Abramov) 0.1497975E+00 Vb(Abramov) -0.1893979E+00 Hb(Abramov) -0.3960046E-01 Ex_ueg -0.4056011E-01 Ec_ueg -0.6146467E-02 Delta_ex -0.4419745E-01 Delta_ec 0.1185828E-01 Delta_et -0.1507514E+00 Pxc 0.6598931E+01 Qxc -0.3727137E+01 3,-1 168 3 -1 2.761183 1.848534 0.551375 Rho 0.1235817E+00 |GRAD(Rho)| 0.2692576E-15 GRAD(Rho)x 0.6594660E-16 GRAD(Rho)y 0.2388226E-15 GRAD(Rho)z -0.1054251E-15 Laplacian 0.5187020E+00 (-1/4)Del**2(Rho)) -0.1296755E+00 Diamond 0.8234966E+00 Metallicity 0.4073352E+01 Ellipticity 0.5287229E-02 Gb(Abramov) 0.1744860E+00 Vb(Abramov) -0.2192965E+00 Hb(Abramov) -0.4481048E-01 Ex_ueg -0.4546289E-01 Ec_ueg -0.6774488E-02 Delta_ex -0.5302506E-01 Delta_ec 0.1357606E-01 Delta_et -0.1750085E+00 Pxc 0.6710897E+01 Qxc -0.3905777E+01 3,-1 169 3 -1 2.976592 2.031479 -0.844920 Rho 0.1285701E+00 |GRAD(Rho)| 0.3343194E-15 GRAD(Rho)x 0.2952825E-15 GRAD(Rho)y -0.9478637E-16 GRAD(Rho)z -0.1248730E-15 Laplacian 0.5031832E+00 (-1/4)Del**2(Rho)) -0.1257958E+00 Diamond 0.8409860E+00 Metallicity 0.4485254E+01 Ellipticity 0.4276427E-01 Gb(Abramov) 0.1779015E+00 Vb(Abramov) -0.2300073E+00 Hb(Abramov) -0.5210575E-01 Ex_ueg -0.4792606E-01 Ec_ueg -0.7086156E-02 Delta_ex -0.5197070E-01 Delta_ec 0.1311641E-01 Delta_et -0.1703129E+00 Pxc 0.6763337E+01 Qxc -0.3962267E+01 3,-1 170 3 -1 3.137494 -3.260967 -0.067879 Rho 0.2408318E+00 |GRAD(Rho)| 0.5023509E-15 GRAD(Rho)x -0.8050201E-16 GRAD(Rho)y -0.4954804E-15 GRAD(Rho)z 0.1936656E-16 Laplacian 0.8610942E+00 (-1/4)Del**2(Rho)) -0.2152736E+00 Diamond 0.3072233E+01 Metallicity 0.7460232E+01 Ellipticity 0.2408039E-02 Gb(Abramov) 0.4111808E+00 Vb(Abramov) -0.6070881E+00 Hb(Abramov) -0.1959072E+00 Ex_ueg -0.1106633E+00 Ec_ueg -0.1449663E-01 Delta_ex -0.1042064E+00 Delta_ec 0.1913596E-01 Delta_et -0.2656879E+00 Pxc 0.7633723E+01 Qxc -0.5445577E+01 3,-1 171 3 -1 2.752776 -1.845595 -0.546816 Rho 0.1155069E+00 |GRAD(Rho)| 0.6419688E-14 GRAD(Rho)x -0.1233558E-14 GRAD(Rho)y -0.4685319E-14 GRAD(Rho)z 0.4211712E-14 Laplacian 0.4805488E+00 (-1/4)Del**2(Rho)) -0.1201372E+00 Diamond 0.7057669E+00 Metallicity 0.3928461E+01 Ellipticity 0.6472269E-02 Gb(Abramov) 0.1587505E+00 Vb(Abramov) -0.1973638E+00 Hb(Abramov) -0.3861332E-01 Ex_ueg -0.4154599E-01 Ec_ueg -0.6273624E-02 Delta_ex -0.4837083E-01 Delta_ec 0.1283871E-01 Delta_et -0.1636879E+00 Pxc 0.6622327E+01 Qxc -0.3767578E+01 3,-1 172 3 -1 3.159917 3.249682 0.058706 Rho 0.2423620E+00 |GRAD(Rho)| 0.3903618E-15 GRAD(Rho)x 0.3163702E-15 GRAD(Rho)y -0.2280077E-15 GRAD(Rho)z 0.1745565E-16 Laplacian 0.8617124E+00 (-1/4)Del**2(Rho)) -0.2154281E+00 Diamond 0.3101520E+01 Metallicity 0.7533990E+01 Ellipticity 0.2330394E-03 Gb(Abramov) 0.4141242E+00 Vb(Abramov) -0.6128204E+00 Hb(Abramov) -0.1986961E+00 Ex_ueg -0.1116018E+00 Ec_ueg -0.1460254E-01 Delta_ex -0.1044724E+00 Delta_ec 0.1914713E-01 Delta_et -0.2660506E+00 Pxc 0.7642625E+01 Qxc -0.5456296E+01 3,-1 173 3 -1 3.018473 -0.871889 1.960432 Rho 0.1586330E+00 |GRAD(Rho)| 0.6846341E-15 GRAD(Rho)x 0.2507082E-15 GRAD(Rho)y -0.6010275E-15 GRAD(Rho)z -0.2112703E-15 Laplacian 0.6227897E+00 (-1/4)Del**2(Rho)) -0.1556974E+00 Diamond 0.1352360E+01 Metallicity 0.5143528E+01 Ellipticity 0.5573739E-01 Gb(Abramov) 0.2372706E+00 Vb(Abramov) -0.3188438E+00 Hb(Abramov) -0.8157320E-01 Ex_ueg -0.6342248E-01 Ec_ueg -0.8998423E-02 Delta_ex -0.6783502E-01 Delta_ec 0.1562359E-01 Delta_et -0.2096537E+00 Pxc 0.7048177E+01 Qxc -0.4341832E+01 3,-1 174 3 -1 2.803496 -0.571394 -1.766135 Rho 0.1567998E+00 |GRAD(Rho)| 0.1313236E-15 GRAD(Rho)x 0.1209428E-15 GRAD(Rho)y 0.3623946E-16 GRAD(Rho)z -0.3613104E-16 Laplacian 0.6575643E+00 (-1/4)Del**2(Rho)) -0.1643911E+00 Diamond 0.1396600E+01 Metallicity 0.4778050E+01 Ellipticity 0.1795967E-01 Gb(Abramov) 0.2405055E+00 Vb(Abramov) -0.3166200E+00 Hb(Abramov) -0.7611444E-01 Ex_ueg -0.6244711E-01 Ec_ueg -0.8880209E-02 Delta_ex -0.7130935E-01 Delta_ec 0.1635193E-01 Delta_et -0.2186215E+00 Pxc 0.7032166E+01 Qxc -0.4360915E+01 3,-1 175 3 -1 3.248529 0.053956 3.148572 Rho 0.2515031E+00 |GRAD(Rho)| 0.8352175E-15 GRAD(Rho)x 0.4350903E-15 GRAD(Rho)y -0.1054387E-16 GRAD(Rho)z 0.7128629E-15 Laplacian 0.9199349E+00 (-1/4)Del**2(Rho)) -0.2299837E+00 Diamond 0.3425812E+01 Metallicity 0.7506342E+01 Ellipticity 0.1560986E-02 Gb(Abramov) 0.4410452E+00 Vb(Abramov) -0.6521067E+00 Hb(Abramov) -0.2110615E+00 Ex_ueg -0.1172491E+00 Ec_ueg -0.1523791E-01 Delta_ex -0.1124360E+00 Delta_ec 0.1989257E-01 Delta_et -0.2752182E+00 Pxc 0.7694565E+01 Qxc -0.5652160E+01 3,-1 176 3 -1 3.014753 0.867167 -1.957349 Rho 0.1456855E+00 |GRAD(Rho)| 0.6138834E-15 GRAD(Rho)x -0.1263096E-15 GRAD(Rho)y -0.5152535E-15 GRAD(Rho)z -0.3088892E-15 Laplacian 0.5729292E+00 (-1/4)Del**2(Rho)) -0.1432323E+00 Diamond 0.1126410E+01 Metallicity 0.4851465E+01 Ellipticity 0.4122655E-01 Gb(Abramov) 0.2113026E+00 Vb(Abramov) -0.2793729E+00 Hb(Abramov) -0.6807032E-01 Ex_ueg -0.5661614E-01 Ec_ueg -0.8167900E-02 Delta_ex -0.6114377E-01 Delta_ec 0.1474103E-01 Delta_et -0.1956421E+00 Pxc 0.6931542E+01 Qxc -0.4147862E+01 3,-1 177 3 -1 -2.016344 0.853767 2.966599 Rho 0.1384751E+00 |GRAD(Rho)| 0.1805525E-15 GRAD(Rho)x -0.8805077E-16 GRAD(Rho)y -0.1642566E-16 GRAD(Rho)z -0.1567689E-15 Laplacian 0.5444548E+00 (-1/4)Del**2(Rho)) -0.1361137E+00 Diamond 0.1007068E+01 Metallicity 0.4691058E+01 Ellipticity 0.3128146E-01 Gb(Abramov) 0.1971620E+00 Vb(Abramov) -0.2582103E+00 Hb(Abramov) -0.6104830E-01 Ex_ueg -0.5291116E-01 Ec_ueg -0.7709886E-02 Delta_ex -0.5739021E-01 Delta_ec 0.1418207E-01 Delta_et -0.1867958E+00 Pxc 0.6862768E+01 Qxc -0.4046674E+01 3,-1 178 3 -1 -2.977142 2.032166 0.841244 Rho 0.1258059E+00 |GRAD(Rho)| 0.4675292E-13 GRAD(Rho)x 0.1743088E-13 GRAD(Rho)y -0.3796352E-13 GRAD(Rho)z 0.2099455E-13 Laplacian 0.4902734E+00 (-1/4)Del**2(Rho)) -0.1225684E+00 Diamond 0.7985590E+00 Metallicity 0.4439592E+01 Ellipticity 0.3841864E-01 Gb(Abramov) 0.1724045E+00 Vb(Abramov) -0.2222406E+00 Hb(Abramov) -0.4983613E-01 Ex_ueg -0.4655714E-01 Ec_ueg -0.6913245E-02 Delta_ex -0.5037634E-01 Delta_ec 0.1285250E-01 Delta_et -0.1663053E+00 Pxc 0.6734484E+01 Qxc -0.3919576E+01 3,-1 179 3 -1 0.045863 -3.145340 -3.270157 Rho 0.2414384E+00 |GRAD(Rho)| 0.5245698E-13 GRAD(Rho)x -0.1082408E-13 GRAD(Rho)y 0.3649208E-13 GRAD(Rho)z 0.3609575E-13 Laplacian 0.8618225E+00 (-1/4)Del**2(Rho)) -0.2154556E+00 Diamond 0.3085020E+01 Metallicity 0.7485243E+01 Ellipticity 0.3371908E-03 Gb(Abramov) 0.4124267E+00 Vb(Abramov) -0.6093978E+00 Hb(Abramov) -0.1969711E+00 Ex_ueg -0.1110351E+00 Ec_ueg -0.1453860E-01 Delta_ex -0.1043676E+00 Delta_ec 0.1914605E-01 Delta_et -0.2658880E+00 Pxc 0.7637259E+01 Qxc -0.5451129E+01 3,-1 180 3 -1 0.476479 -0.472566 0.477472 Rho 0.1879727E+00 |GRAD(Rho)| 0.4665432E-12 GRAD(Rho)x -0.2742043E-12 GRAD(Rho)y 0.2645037E-12 GRAD(Rho)z -0.2692811E-12 Laplacian 0.5211566E+00 (-1/4)Del**2(Rho)) -0.1302892E+00 Diamond 0.1409752E+01 Metallicity 0.8155857E+01 Ellipticity 0.2853324E-02 Gb(Abramov) 0.2639627E+00 Vb(Abramov) -0.3976363E+00 Hb(Abramov) -0.1336736E+00 Ex_ueg -0.7952642E-01 Ec_ueg -0.1091721E-01 Delta_ex -0.5939145E-01 Delta_ec 0.1280390E-01 Delta_et -0.1760956E+00 Pxc 0.7284504E+01 Qxc -0.4638544E+01 3,-1 181 3 -1 2.021150 -0.849757 2.973398 Rho 0.1317649E+00 |GRAD(Rho)| 0.1043909E-15 GRAD(Rho)x 0.4056271E-16 GRAD(Rho)y -0.1492133E-16 GRAD(Rho)z -0.9502354E-16 Laplacian 0.5159926E+00 (-1/4)Del**2(Rho)) -0.1289981E+00 Diamond 0.9018339E+00 Metallicity 0.4556545E+01 Ellipticity 0.2470473E-01 Gb(Abramov) 0.1839631E+00 Vb(Abramov) -0.2389280E+00 Hb(Abramov) -0.5496493E-01 Ex_ueg -0.4952044E-01 Ec_ueg -0.7286632E-02 Delta_ex -0.5377212E-01 Delta_ec 0.1365935E-01 Delta_et -0.1786141E+00 Pxc 0.6796067E+01 Qxc -0.3936653E+01 3,-1 182 3 -1 3.251610 -0.069202 -3.144054 Rho 0.2517965E+00 |GRAD(Rho)| 0.1274855E-11 GRAD(Rho)x -0.8898968E-12 GRAD(Rho)y 0.2345659E-12 GRAD(Rho)z 0.8822234E-12 Laplacian 0.9177798E+00 (-1/4)Del**2(Rho)) -0.2294449E+00 Diamond 0.3424920E+01 Metallicity 0.7538601E+01 Ellipticity 0.2100459E-02 Gb(Abramov) 0.4412456E+00 Vb(Abramov) -0.6530462E+00 Hb(Abramov) -0.2118007E+00 Ex_ueg -0.1174315E+00 Ec_ueg -0.1525838E-01 Delta_ex -0.1122186E+00 Delta_ec 0.1985972E-01 Delta_et -0.2748675E+00 Pxc 0.7696198E+01 Qxc -0.5650565E+01 3,-1 183 3 -1 1.839603 -0.561944 -2.752187 Rho 0.1349921E+00 |GRAD(Rho)| 0.1195701E-13 GRAD(Rho)x -0.1020276E-13 GRAD(Rho)y -0.4028353E-15 GRAD(Rho)z 0.6221843E-14 Laplacian 0.5654818E+00 (-1/4)Del**2(Rho)) -0.1413704E+00 Diamond 0.1013495E+01 Metallicity 0.4328878E+01 Ellipticity 0.1071784E-01 Gb(Abramov) 0.1962429E+00 Vb(Abramov) -0.2511153E+00 Hb(Abramov) -0.5487242E-01 Ex_ueg -0.5114419E-01 Ec_ueg -0.7489831E-02 Delta_ex -0.5922888E-01 Delta_ec 0.1480133E-01 Delta_et -0.1941417E+00 Pxc 0.6828484E+01 Qxc -0.4001591E+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 81 150 109 128 151 108 129 131 148 140 107 102 179 143 126 111 142 147 132 114 141 146 104 105 133 156 171 157 167 155 170 153 168 163 169 162 172 58 85 91 178 92 62 87 88 60 59 86 57 55 78 99 61 95 76 75 65 97 80 177 77 135 165 152 173 181 175 154 174 183 176 158 182 180 116 137 121 72 166 125 113 127 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 17 18 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 24 27 28 2.413235 1.921508 1.973618 1.925322 1.983472 1.713907 2.416930 1.924785 2.014620 1.891647 1.977109 1.714536 2.376743 1.911362 1.964395 1.920975 1.969023 1.725411 2.378205 1.903614 1.937172 1.942383 1.983838 1.725104 2.407354 1.993117 1.884086 2.013747 1.922529 1.715509 2.426178 1.965061 1.939446 1.961704 1.932873 1.713174 2.422212 1.997378 1.918542 1.970980 1.916308 1.713335 2.359941 1.956758 1.907272 1.978744 1.926541 1.726094 2.418555 1.888513 1.970647 1.927097 2.023393 1.714476 2.381411 1.921802 1.957569 1.929384 1.955854 1.724868 2.369505 1.913722 1.977279 1.902300 1.976093 1.725993 2.383285 1.894977 1.954025 1.935501 1.981631 1.725639 1.693436 1.693476 1.696817 1.698311 3.263586 3.261018 3.259567 3.268574 3.263961 2.414839 1.922057 1.974162 1.926153 1.984318 1.713923 2.418559 1.925372 2.015284 1.892372 1.977963 1.714550 2.378489 1.911842 1.964787 1.921634 1.969683 1.725415 2.379909 1.904021 1.937595 1.943070 1.984504 1.725111 2.409191 1.993613 1.884670 2.014559 1.923311 1.715523 2.427726 1.965578 1.940008 1.962529 1.933711 1.713187 2.423771 1.998006 1.919107 1.971832 1.917088 1.713350 2.361680 1.957123 1.907736 1.979400 1.927223 1.726098 2.420170 1.889091 1.971161 1.927940 2.024172 1.714488 2.383141 1.922230 1.957985 1.930055 1.956492 1.724873 2.371310 1.914193 1.977630 1.902899 1.976726 1.725999 2.385013 1.895417 1.954391 1.936122 1.982309 1.725642 1.693437 1.693480 1.696821 1.698312 3.272599 3.269824 3.271492 3.277678 3.273229 31 28 27 29 27 25 30 27 26 26 27 21 30 27 27 27 29 22 31 28 28 27 27 24 30 23 26 23 26 21 29 23 27 23 27 21 31 27 27 23 29 25 30 27 28 28 28 23 30 27 27 27 25 23 30 27 27 27 23 23 31 27 27 23 23 22 30 23 23 23 27 20 20 24 25 22 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 Mo W W Mo Mo Mo 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 2.3849 2.3814 2.5009 2.5102 2.3935 2.3943 2.4002 2.4927 2.3887 2.5096 2.4920 2.5026 -1.1371 -1.1367 -1.1403 -1.1403 -0.9490 -0.9204 -0.8916 -0.9217 -0.9169 -0.9473 -0.9218 -0.9163 -0.9137 -0.9212 -0.9171 -0.8922 -0.9101 -0.9042 -0.9106 -0.9105 -0.9016 -0.9427 -0.9440 -0.8758 -0.9091 -0.9014 -0.8817 -0.9040 -0.6573 -0.6590 -0.7378 -0.7378 -0.6621 -0.6562 -0.6563 -0.7387 -0.6593 -0.7369 -0.7393 -0.7391 2.5083 1.9315 1.9280 2.0836 2.0833 1.9208 1.9463 1.9365 2.0866 1.9240 2.0819 2.0865 2.0810 1.9380 1.9381 1.9366 1.9360 1.9354 1.9392 1.9445 1.9381 1.9397 1.9359 1.9392 1.9395 1.9405 1.9386 1.9389 1.9449 1.9513 1.9528 1.9498 1.9499 1.9527 1.9493 1.9491 1.9541 1.9510 1.9518 1.9525 1.9509 1.9863 1.9859 1.9744 1.9748 1.9855 1.9867 1.9866 1.9744 1.9862 1.9748 1.9744 1.9744 0.8031 6.0614 6.0592 6.0838 6.0835 6.0572 6.0494 6.0464 6.0891 6.0593 6.0839 6.0888 6.0838 5.1596 5.1590 5.1641 5.1648 4.9835 4.9527 4.9204 4.9554 4.9491 4.9812 4.9542 4.9487 4.9453 4.9542 4.9501 4.9210 4.9281 4.9210 4.9300 4.9299 4.9183 4.9607 4.9622 4.8930 4.9274 4.9188 4.9007 4.9226 4.6347 4.6368 4.7253 4.7248 4.6406 4.6330 4.6333 4.7262 4.6368 4.7238 4.7267 4.7266 1.1382 3.6222 3.6314 3.3028 3.2941 3.6286 3.6100 3.6170 3.3027 3.6279 3.2957 3.3038 3.3037 0.0396 0.0396 0.0396 0.0394 0.0301 0.0285 0.0267 0.0282 0.0280 0.0303 0.0283 0.0281 0.0279 0.0284 0.0281 0.0264 0.0306 0.0304 0.0308 0.0307 0.0306 0.0327 0.0327 0.0288 0.0307 0.0307 0.0286 0.0304 0.0364 0.0363 0.0382 0.0382 0.0361 0.0364 0.0364 0.0381 0.0363 0.0383 0.0381 0.0381 10.5504 0.0000 0.0000 14.0289 14.0290 0.0000 0.0000 0.0000 14.0290 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 Mo W W Mo Mo Mo 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 3.181188 3.178836 2.520032 2.520822 3.178038 3.182213 3.180508 2.521039 3.178667 2.521334 2.519835 2.518819 -1.176754 -1.174968 -1.137868 -1.139119 -0.940045 -1.039177 -1.160718 -1.048286 -1.056603 -0.938261 -1.045292 -1.058093 -1.055860 -1.045749 -1.054430 -1.159651 -1.000812 -1.021341 -1.015988 -1.012827 -1.020681 -0.907908 -0.908722 -1.119597 -1.010094 -1.023706 -1.125300 -1.021240 -0.922229 -0.923661 -0.761272 -0.760799 -0.927117 -0.922123 -0.921280 -0.761933 -0.923352 -0.759697 -0.762229 -0.762420 2.325873 2.379378 2.385066 1.963944 1.957693 2.383555 2.374448 2.382091 1.962124 2.384682 1.958134 1.962925 1.963401 -0.873576 -0.874820 -0.822819 -0.822140 -0.702828 -0.802964 -0.907013 -0.802989 -0.803764 -0.705972 -0.801816 -0.805462 -0.807068 -0.802601 -0.802203 -0.907924 -0.818702 -0.821027 -0.819141 -0.818661 -0.822842 -0.733675 -0.734166 -0.905849 -0.814042 -0.823810 -0.904786 -0.822502 -0.673828 -0.672090 -0.635237 -0.637187 -0.676325 -0.679156 -0.673398 -0.634115 -0.671154 -0.636529 -0.634047 -0.636321 1.687109 2.457305 2.462440 2.058527 2.052126 2.460730 2.453968 2.460594 2.054924 2.461545 2.052910 2.055998 2.058258 -0.890405 -0.891365 -0.854729 -0.854728 -0.784818 -0.878827 -0.978757 -0.881515 -0.887328 -0.785427 -0.880156 -0.885439 -0.888602 -0.878655 -0.881504 -0.981082 -0.855714 -0.861979 -0.853421 -0.851328 -0.862232 -0.767451 -0.772828 -0.938684 -0.849641 -0.855103 -0.940454 -0.855863 -0.632222 -0.632763 -0.600962 -0.601781 -0.636646 -0.640963 -0.635803 -0.596394 -0.629905 -0.601617 -0.596816 -0.601617 1.666199 -0.50123226 -0.27927970 -0.80472404 0.98833785 -0.79195334 -3.84062668 3.35202967 4.49115449 -0.11428022 -3.69920114 -380.6957 413.6578 -112.1834 -360.6915 -10.3120 -450.2248 Jun10-2024 22:02:58 Nodes: 1 Procs: 1 Jun10-2024 22:03:00 Nodes: 1 Procs: 1 0 Jun10-2024 22:03:03 Nodes: 1 Procs: 1 Jun10-2024 22:03:04 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 22:03:07 Nodes: 1 Procs: 1 Jun10-2024 22:03:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 22:03:10 Nodes: 1 Procs: 1 Jun10-2024 22:03:12 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 22:03:17 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.47183675 -16.53843506 -16.54227554 -16.54394212 -16.54446585 -16.54495308 -16.54504254 -16.54513649 -16.54518171 -16.54525081 -16.54529372 -16.54534706 -16.54539699 -16.54544544 -16.54545796 GEOMETRY CONVERGED