ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar02-2024 00:47:47 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 0.02 0.41 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar02-2024 00:47:47 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 0 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 Mar02-2024 00:47:48 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar02-2024 00:47:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.73 0.04 0.81 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 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 0 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 Mar02-2024 00:47:48 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar02-2024 00:47:48 Nodes: 1 Procs: 1 Mar02-2024 00:47:49 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar02-2024 00:47:50 Hydrogen (TZP) kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.02 0.51 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 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 0 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 Mar02-2024 00:47:48 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar02-2024 00:47:48 Nodes: 1 Procs: 1 Mar02-2024 00:47:49 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar02-2024 00:47:50 Nodes: 1 Procs: 1 Mar02-2024 00:47:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar02-2024 00:47:51 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 1707.4020999999973 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-0.1527641E-15 GRAD(Rho)y 0.1234798E-14 GRAD(Rho)z 0.5709409E-15 Laplacian 0.8553178E+00 (-1/4)Del**2(Rho)) -0.2138294E+00 Diamond 0.2783790E+01 Metallicity 0.6707670E+01 Ellipticity 0.1180766E-02 Gb(Abramov) 0.3816025E+00 Vb(Abramov) -0.5493756E+00 Hb(Abramov) -0.1677731E+00 Ex_ueg -0.1010929E+00 Ec_ueg -0.1341082E-01 Delta_ex -0.1015317E+00 Delta_ec 0.1909047E-01 Delta_et -0.2630510E+00 Pxc 0.7538159E+01 Qxc -0.5318451E+01 3,-1 56 3 -1 -3.077087 -1.967149 -0.913383 Rho 0.1591178E+00 |GRAD(Rho)| 0.4388120E-13 GRAD(Rho)x 0.1170757E-13 GRAD(Rho)y 0.3421509E-13 GRAD(Rho)z -0.2485599E-13 Laplacian 0.6023586E+00 (-1/4)Del**2(Rho)) -0.1505896E+00 Diamond 0.1316520E+01 Metallicity 0.5345104E+01 Ellipticity 0.8535429E-01 Gb(Abramov) 0.2345460E+00 Vb(Abramov) -0.3185024E+00 Hb(Abramov) -0.8395635E-01 Ex_ueg -0.6368105E-01 Ec_ueg -0.9029719E-02 Delta_ex -0.6569350E-01 Delta_ec 0.1516062E-01 Delta_et -0.2036748E+00 Pxc 0.7052385E+01 Qxc -0.4333168E+01 3,-1 57 3 +1 -1.732595 -0.461011 0.546205 Rho 0.9654478E-02 |GRAD(Rho)| 0.1359782E-16 GRAD(Rho)x 0.5635651E-17 GRAD(Rho)y -0.5044419E-17 GRAD(Rho)z -0.1130018E-16 Laplacian 0.3916479E-01 (-1/4)Del**2(Rho)) -0.9791198E-02 Diamond 0.1201845E-02 Metallicity 0.7701914E+00 Ellipticity -0.1427012E+01 Gb(Abramov) 0.7784314E-02 Vb(Abramov) -0.5777431E-02 Hb(Abramov) 0.2006883E-02 Ex_ueg -0.1518297E-02 Ec_ueg -0.3524039E-03 Delta_ex -0.1832849E-02 Delta_ec 0.5336264E-03 Delta_et -0.3770632E-02 Pxc 0.4308400E+01 Qxc -0.3434704E+01 3,+1 58 3 -1 -2.715659 -0.517197 1.874888 Rho 0.1151483E+00 |GRAD(Rho)| 0.1995696E-12 GRAD(Rho)x -0.5604091E-13 GRAD(Rho)y -0.1197845E-12 GRAD(Rho)z -0.1494627E-12 Laplacian 0.4708531E+00 (-1/4)Del**2(Rho)) -0.1177133E+00 Diamond 0.6924171E+00 Metallicity 0.3988628E+01 Ellipticity 0.1068490E-01 Gb(Abramov) 0.1567279E+00 Vb(Abramov) -0.1957426E+00 Hb(Abramov) -0.3901465E-01 Ex_ueg -0.4137408E-01 Ec_ueg -0.6251484E-02 Delta_ex -0.4740906E-01 Delta_ec 0.1267660E-01 Delta_et -0.1616688E+00 Pxc 0.6618282E+01 Qxc -0.3739886E+01 3,-1 59 3 -1 -2.911878 -0.981010 -2.115610 Rho 0.1071011E+00 |GRAD(Rho)| 0.2507271E-15 GRAD(Rho)x 0.2489870E-15 GRAD(Rho)y -0.2212111E-16 GRAD(Rho)z 0.1949870E-16 Laplacian 0.4065146E+00 (-1/4)Del**2(Rho)) -0.1016287E+00 Diamond 0.5570932E+00 Metallicity 0.4094430E+01 Ellipticity 0.3481852E-01 Gb(Abramov) 0.1371043E+00 Vb(Abramov) -0.1725800E+00 Hb(Abramov) -0.3547569E-01 Ex_ueg -0.3756444E-01 Ec_ueg -0.5757183E-02 Delta_ex -0.4038024E-01 Delta_ec 0.1138401E-01 Delta_et -0.1436115E+00 Pxc 0.6524796E+01 Qxc -0.3547102E+01 3,-1 60 3 +1 -2.785347 -0.206742 -0.255963 Rho 0.5444610E-02 |GRAD(Rho)| 0.2648738E-16 GRAD(Rho)x -0.3786787E-17 GRAD(Rho)y -0.2344735E-16 GRAD(Rho)z -0.1172448E-16 Laplacian 0.2247478E-01 (-1/4)Del**2(Rho)) -0.5618696E-02 Diamond 0.4047518E-03 Metallicity 0.5166491E+00 Ellipticity -0.1205109E+01 Gb(Abramov) 0.4229613E-02 Vb(Abramov) -0.2840530E-02 Hb(Abramov) 0.1389083E-02 Ex_ueg -0.7074148E-03 Ec_ueg -0.1660961E-03 Delta_ex -0.9844023E-03 Delta_ec 0.4369409E-03 Delta_et -0.2542735E-02 Pxc 0.4259069E+01 Qxc -0.2252942E+01 3,+1 61 3 +3 -2.401516 0.055951 0.039508 Rho 0.5145131E-02 |GRAD(Rho)| 0.7074325E-17 GRAD(Rho)x -0.6773163E-17 GRAD(Rho)y 0.2036452E-17 GRAD(Rho)z 0.1522871E-18 Laplacian 0.2154368E-01 (-1/4)Del**2(Rho)) -0.5385919E-02 Diamond 0.2287891E-03 Metallicity 0.4904794E+00 Ellipticity -0.3737423E+00 Gb(Abramov) 0.4030893E-02 Vb(Abramov) -0.2675867E-02 Hb(Abramov) 0.1355026E-02 Ex_ueg -0.6560149E-03 Ec_ueg -0.1531637E-03 Delta_ex -0.8149070E-03 Delta_ec 0.2103214E-03 Delta_et -0.1340702E-02 Pxc 0.4283095E+01 Qxc -0.3874580E+01 3,+3 62 3 -1 -3.050670 -0.004798 -3.200057 Rho 0.2154676E+00 |GRAD(Rho)| 0.2926461E-14 GRAD(Rho)x 0.2583979E-14 GRAD(Rho)y -0.1010476E-14 GRAD(Rho)z 0.9306791E-15 Laplacian 0.8136168E+00 (-1/4)Del**2(Rho)) -0.2034042E+00 Diamond 0.2517347E+01 Metallicity 0.6558885E+01 Ellipticity 0.2459962E-01 Gb(Abramov) 0.3579536E+00 Vb(Abramov) -0.5125030E+00 Hb(Abramov) -0.1545494E+00 Ex_ueg -0.9540281E-01 Ec_ueg -0.1275977E-01 Delta_ex -0.9552635E-01 Delta_ec 0.1843231E-01 Delta_et -0.2535746E+00 Pxc 0.7476843E+01 Qxc -0.5182549E+01 3,-1 63 3 -1 -3.084253 -0.052621 3.290244 Rho 0.2252552E+00 |GRAD(Rho)| 0.2231575E-10 GRAD(Rho)x -0.1595208E-10 GRAD(Rho)y -0.3975488E-11 GRAD(Rho)z 0.1509038E-10 Laplacian 0.8374340E+00 (-1/4)Del**2(Rho)) -0.2093585E+00 Diamond 0.2739150E+01 Metallicity 0.6862049E+01 Ellipticity 0.3848475E-02 Gb(Abramov) 0.3790104E+00 Vb(Abramov) -0.5486623E+00 Hb(Abramov) -0.1696519E+00 Ex_ueg -0.1012243E+00 Ec_ueg -0.1342580E-01 Delta_ex -0.9949403E-01 Delta_ec 0.1879329E-01 Delta_et -0.2594082E+00 Pxc 0.7539533E+01 Qxc -0.5294127E+01 3,-1 64 3 +1 -0.216976 -0.502085 -3.044642 Rho 0.4264792E-02 |GRAD(Rho)| 0.1211251E-14 GRAD(Rho)x -0.1011054E-14 GRAD(Rho)y -0.6184618E-15 GRAD(Rho)z -0.2498070E-15 Laplacian 0.1659190E-01 (-1/4)Del**2(Rho)) -0.4147974E-02 Diamond 0.2530373E-03 Metallicity 0.4658151E+00 Ellipticity -0.1632244E+01 Gb(Abramov) 0.3087348E-02 Vb(Abramov) -0.2026721E-02 Hb(Abramov) 0.1060627E-02 Ex_ueg -0.5107976E-03 Ec_ueg -0.1154123E-03 Delta_ex -0.7320695E-03 Delta_ec 0.4006416E-03 Delta_et -0.2124141E-02 Pxc 0.4425851E+01 Qxc -0.1827243E+01 3,+1 65 3 -1 -2.686373 0.458270 -1.869763 Rho 0.4938928E-01 |GRAD(Rho)| 0.1957508E-14 GRAD(Rho)x 0.3979877E-15 GRAD(Rho)y -0.1208043E-14 GRAD(Rho)z -0.1487978E-14 Laplacian 0.2059917E+00 (-1/4)Del**2(Rho)) -0.5149792E-01 Diamond 0.1080348E+00 Metallicity 0.2224085E+01 Ellipticity 0.1069016E-01 Gb(Abramov) 0.5342124E-01 Vb(Abramov) -0.5534455E-01 Hb(Abramov) -0.1923319E-02 Ex_ueg -0.1338326E-01 Ec_ueg -0.2381144E-02 Delta_ex -0.1713737E-01 Delta_ec 0.6556175E-02 Delta_et -0.6902639E-01 Pxc 0.5620519E+01 Qxc -0.2613928E+01 3,-1 66 3 +1 -1.780373 -1.722250 1.813436 Rho 0.1166954E-01 |GRAD(Rho)| 0.8387987E-14 GRAD(Rho)x 0.6213634E-14 GRAD(Rho)y -0.5352737E-14 GRAD(Rho)z 0.1759911E-14 Laplacian 0.5697338E-01 (-1/4)Del**2(Rho)) -0.1424335E-01 Diamond 0.2183896E-02 Metallicity 0.7261577E+00 Ellipticity -0.1261014E+01 Gb(Abramov) 0.1121938E-01 Vb(Abramov) -0.8195421E-02 Hb(Abramov) 0.3023963E-02 Ex_ueg -0.1954896E-02 Ec_ueg -0.4443356E-03 Delta_ex -0.2775980E-02 Delta_ec 0.7324014E-03 Delta_et -0.5459906E-02 Pxc 0.4399593E+01 Qxc -0.3790243E+01 3,+1 67 3 -1 -1.973174 -0.989063 -3.283302 Rho 0.2238032E+00 |GRAD(Rho)| 0.2419283E-15 GRAD(Rho)x -0.3062871E-16 GRAD(Rho)y -0.1431147E-16 GRAD(Rho)z 0.2395545E-15 Laplacian 0.8329814E+00 (-1/4)Del**2(Rho)) -0.2082454E+00 Diamond 0.2697361E+01 Metallicity 0.6824774E+01 Ellipticity 0.1311763E-01 Gb(Abramov) 0.3757015E+00 Vb(Abramov) -0.5431577E+00 Hb(Abramov) -0.1674561E+00 Ex_ueg -0.1003553E+00 Ec_ueg -0.1332666E-01 Delta_ex -0.9876352E-01 Delta_ec 0.1866445E-01 Delta_et -0.2572880E+00 Pxc 0.7530410E+01 Qxc -0.5291531E+01 3,-1 68 3 +1 -2.270478 -1.229699 -1.293856 Rho 0.3067736E-01 |GRAD(Rho)| 0.4679825E-14 GRAD(Rho)x -0.3045727E-14 GRAD(Rho)y -0.2362016E-15 GRAD(Rho)z -0.3545211E-14 Laplacian 0.1240048E+00 (-1/4)Del**2(Rho)) -0.3100120E-01 Diamond 0.2155226E-01 Metallicity 0.1670595E+01 Ellipticity -0.4936543E+01 Gb(Abramov) 0.2929921E-01 Vb(Abramov) -0.2759722E-01 Hb(Abramov) 0.1701989E-02 Ex_ueg -0.7092659E-02 Ec_ueg -0.1378599E-02 Delta_ex -0.8152863E-02 Delta_ec 0.2111853E-02 Delta_et -0.1958069E-01 Pxc 0.5144831E+01 Qxc -0.3860526E+01 3,+1 69 3 +3 -0.166698 -2.375196 -0.111247 Rho 0.4019335E-02 |GRAD(Rho)| 0.6808381E-17 GRAD(Rho)x -0.3205173E-17 GRAD(Rho)y 0.5285486E-18 GRAD(Rho)z 0.5983441E-17 Laplacian 0.1636233E-01 (-1/4)Del**2(Rho)) -0.4090581E-02 Diamond 0.1083855E-03 Metallicity 0.4279159E+00 Ellipticity -0.1930004E+00 Gb(Abramov) 0.3018792E-02 Vb(Abramov) -0.1947002E-02 Hb(Abramov) 0.1071790E-02 Ex_ueg -0.4719804E-03 Ec_ueg -0.1049580E-03 Delta_ex -0.5616240E-03 Delta_ec 0.1244317E-03 Delta_et -0.7936856E-03 Pxc 0.4496850E+01 Qxc -0.4513514E+01 3,+3 70 3 -1 -1.848422 -1.638197 -0.535066 Rho 0.5464597E-01 |GRAD(Rho)| 0.5739389E-15 GRAD(Rho)x -0.3864054E-15 GRAD(Rho)y -0.3578176E-15 GRAD(Rho)z 0.2281737E-15 Laplacian 0.2141375E+00 (-1/4)Del**2(Rho)) -0.5353438E-01 Diamond 0.1223338E+00 Metallicity 0.2532312E+01 Ellipticity 0.7743301E-02 Gb(Abramov) 0.5828388E-01 Vb(Abramov) -0.6303338E-01 Hb(Abramov) -0.4749499E-02 Ex_ueg -0.1531543E-01 Ec_ueg -0.2673250E-02 Delta_ex -0.1802033E-01 Delta_ec 0.6365539E-02 Delta_et -0.6868345E-01 Pxc 0.5729141E+01 Qxc -0.2830919E+01 3,-1 71 3 +3 -1.115786 -1.116990 1.153769 Rho 0.4858220E-02 |GRAD(Rho)| 0.1787373E-17 GRAD(Rho)x 0.6581843E-18 GRAD(Rho)y -0.1236668E-18 GRAD(Rho)z -0.1657167E-17 Laplacian 0.1908562E-01 (-1/4)Del**2(Rho)) -0.4771405E-02 Diamond 0.1295855E-03 Metallicity 0.5031555E+00 Ellipticity -0.2215306E+00 Gb(Abramov) 0.3581063E-02 Vb(Abramov) -0.2390721E-02 Hb(Abramov) 0.1190342E-02 Ex_ueg -0.6076983E-03 Ec_ueg -0.1408165E-03 Delta_ex -0.6555565E-03 Delta_ec 0.8657640E-04 Delta_et -0.6747537E-03 Pxc 0.4315532E+01 Qxc -0.7572000E+01 3,+3 72 3 +1 -0.664435 -1.690886 0.497561 Rho 0.8133094E-02 |GRAD(Rho)| 0.1148656E-16 GRAD(Rho)x -0.1043105E-16 GRAD(Rho)y -0.4739996E-17 GRAD(Rho)z 0.8165398E-18 Laplacian 0.3194401E-01 (-1/4)Del**2(Rho)) -0.7986003E-02 Diamond 0.7922278E-03 Metallicity 0.7095505E+00 Ellipticity -0.1416912E+01 Gb(Abramov) 0.6268414E-02 Vb(Abramov) -0.4550825E-02 Hb(Abramov) 0.1717589E-02 Ex_ueg -0.1207979E-02 Ec_ueg -0.2841381E-03 Delta_ex -0.1438885E-02 Delta_ec 0.4494730E-03 Delta_et -0.3028295E-02 Pxc 0.4251380E+01 Qxc -0.3201271E+01 3,+1 73 3 +1 -1.153335 1.327646 2.210649 Rho 0.2665721E-01 |GRAD(Rho)| 0.2682627E-14 GRAD(Rho)x -0.3241578E-15 GRAD(Rho)y 0.2433002E-14 GRAD(Rho)z -0.1082548E-14 Laplacian 0.1019135E+00 (-1/4)Del**2(Rho)) -0.2547838E-01 Diamond 0.1416021E-01 Metallicity 0.1608443E+01 Ellipticity -0.3868535E+01 Gb(Abramov) 0.2381568E-01 Vb(Abramov) -0.2215297E-01 Hb(Abramov) 0.1662707E-02 Ex_ueg -0.5881271E-02 Ec_ueg -0.1172509E-02 Delta_ex -0.6408357E-02 Delta_ec 0.1658086E-02 Delta_et -0.1487979E-01 Pxc 0.5015973E+01 Qxc -0.3864912E+01 3,+1 74 3 -1 -1.683023 -0.608578 -1.796086 Rho 0.7004926E-01 |GRAD(Rho)| 0.6445241E-16 GRAD(Rho)x -0.5906954E-16 GRAD(Rho)y -0.1313325E-16 GRAD(Rho)z 0.2219057E-16 Laplacian 0.2750943E+00 (-1/4)Del**2(Rho)) -0.6877357E-01 Diamond 0.2181739E+00 Metallicity 0.2981747E+01 Ellipticity 0.3750138E-01 Gb(Abramov) 0.8002662E-01 Vb(Abramov) -0.9127967E-01 Hb(Abramov) -0.1125305E-01 Ex_ueg -0.2132667E-01 Ec_ueg -0.3549930E-02 Delta_ex -0.2461022E-01 Delta_ec 0.8058798E-02 Delta_et -0.9249059E-01 Pxc 0.6007633E+01 Qxc -0.3053833E+01 3,-1 75 3 +3 0.003078 -0.282120 -2.374278 Rho 0.3899892E-02 |GRAD(Rho)| 0.1125421E-16 GRAD(Rho)x -0.8680645E-17 GRAD(Rho)y 0.5330299E-17 GRAD(Rho)z 0.4784506E-17 Laplacian 0.1571574E-01 (-1/4)Del**2(Rho)) -0.3928935E-02 Diamond 0.1299965E-03 Metallicity 0.4236748E+00 Ellipticity -0.7082017E+00 Gb(Abramov) 0.2896722E-02 Vb(Abramov) -0.1864509E-02 Hb(Abramov) 0.1032213E-02 Ex_ueg -0.4533725E-03 Ec_ueg -0.9988226E-04 Delta_ex -0.5741242E-03 Delta_ec 0.1889485E-03 Delta_et -0.1078336E-02 Pxc 0.4539069E+01 Qxc -0.3038522E+01 3,+3 76 3 -1 -1.741761 -0.562532 2.863665 Rho 0.1677971E+00 |GRAD(Rho)| 0.1305351E-15 GRAD(Rho)x -0.9503032E-16 GRAD(Rho)y 0.1292911E-16 GRAD(Rho)z 0.8855221E-16 Laplacian 0.7004172E+00 (-1/4)Del**2(Rho)) -0.1751043E+00 Diamond 0.1595144E+01 Metallicity 0.5022235E+01 Ellipticity 0.3988573E-01 Gb(Abramov) 0.2633054E+00 Vb(Abramov) -0.3515064E+00 Hb(Abramov) -0.8820106E-01 Ex_ueg -0.6835405E-01 Ec_ueg -0.9592354E-02 Delta_ex -0.7708844E-01 Delta_ec 0.1683301E-01 Delta_et -0.2261529E+00 Pxc 0.7125889E+01 Qxc -0.4579598E+01 3,-1 77 3 +1 -0.538295 -0.552304 1.706720 Rho 0.8122567E-02 |GRAD(Rho)| 0.1776175E-16 GRAD(Rho)x -0.1773680E-17 GRAD(Rho)y 0.1282673E-16 GRAD(Rho)z -0.1215766E-16 Laplacian 0.3201790E-01 (-1/4)Del**2(Rho)) -0.8004474E-02 Diamond 0.7900117E-03 Metallicity 0.7063867E+00 Ellipticity -0.1408843E+01 Gb(Abramov) 0.6278692E-02 Vb(Abramov) -0.4552909E-02 Hb(Abramov) 0.1725782E-02 Ex_ueg -0.1205895E-02 Ec_ueg -0.2836693E-03 Delta_ex -0.1440454E-02 Delta_ec 0.4482127E-03 Delta_et -0.3020695E-02 Pxc 0.4251058E+01 Qxc -0.3213774E+01 3,+1 78 3 +3 -1.180438 1.135544 -1.083155 Rho 0.4957505E-02 |GRAD(Rho)| 0.8165568E-17 GRAD(Rho)x 0.1448616E-17 GRAD(Rho)y 0.7787096E-17 GRAD(Rho)z -0.1984730E-17 Laplacian 0.1936760E-01 (-1/4)Del**2(Rho)) -0.4841900E-02 Diamond 0.1305212E-03 Metallicity 0.5128330E+00 Ellipticity -0.2245554E+00 Gb(Abramov) 0.3641781E-02 Vb(Abramov) -0.2441662E-02 Hb(Abramov) 0.1200119E-02 Ex_ueg -0.6243133E-03 Ec_ueg -0.1450845E-03 Delta_ex -0.6645886E-03 Delta_ec 0.8002195E-04 Delta_et -0.6478920E-03 Pxc 0.4303101E+01 Qxc -0.8305079E+01 3,+3 79 3 -1 -1.677592 0.529693 1.784575 Rho 0.4949160E-01 |GRAD(Rho)| 0.1300323E-13 GRAD(Rho)x -0.1164903E-13 GRAD(Rho)y 0.6788571E-15 GRAD(Rho)z 0.5737888E-14 Laplacian 0.1906235E+00 (-1/4)Del**2(Rho)) -0.4765588E-01 Diamond 0.9492236E-01 Metallicity 0.2411696E+01 Ellipticity 0.1557234E-01 Gb(Abramov) 0.5092583E-01 Vb(Abramov) -0.5419579E-01 Hb(Abramov) -0.3269955E-02 Ex_ueg -0.1342024E-01 Ec_ueg -0.2386791E-02 Delta_ex -0.1563393E-01 Delta_ec 0.5650880E-02 Delta_et -0.5942037E-01 Pxc 0.5622715E+01 Qxc -0.2766636E+01 3,-1 80 3 +1 -0.139920 0.125857 2.917005 Rho 0.5730644E-02 |GRAD(Rho)| 0.3577075E-17 GRAD(Rho)x -0.3484085E-17 GRAD(Rho)y 0.7186504E-18 GRAD(Rho)z 0.3743770E-18 Laplacian 0.2344038E-01 (-1/4)Del**2(Rho)) -0.5860096E-02 Diamond 0.6948353E-03 Metallicity 0.5394951E+00 Ellipticity -0.1399801E+02 Gb(Abramov) 0.4433646E-02 Vb(Abramov) -0.3007196E-02 Hb(Abramov) 0.1426450E-02 Ex_ueg -0.7573959E-03 Ec_ueg -0.1784896E-03 Delta_ex -0.1226366E-02 Delta_ec 0.7908521E-03 Delta_et -0.4453358E-02 Pxc 0.4243361E+01 Qxc -0.1550690E+01 3,+1 81 3 +1 -0.582566 1.699396 -0.487102 Rho 0.8501211E-02 |GRAD(Rho)| 0.1027019E-16 GRAD(Rho)x 0.6515104E-17 GRAD(Rho)y -0.7908225E-17 GRAD(Rho)z -0.7001257E-18 Laplacian 0.3306878E-01 (-1/4)Del**2(Rho)) -0.8267196E-02 Diamond 0.8498625E-03 Metallicity 0.7378979E+00 Ellipticity -0.1417897E+01 Gb(Abramov) 0.6528188E-02 Vb(Abramov) -0.4789181E-02 Hb(Abramov) 0.1739008E-02 Ex_ueg -0.1281424E-02 Ec_ueg -0.3005622E-03 Delta_ex -0.1496566E-02 Delta_ec 0.4479497E-03 Delta_et -0.3066803E-02 Pxc 0.4263423E+01 Qxc -0.3340924E+01 3,+1 82 3 -1 -1.807710 1.655186 0.564800 Rho 0.4792032E-01 |GRAD(Rho)| 0.1104664E-15 GRAD(Rho)x 0.6557517E-16 GRAD(Rho)y -0.8883427E-16 GRAD(Rho)z 0.3346839E-17 Laplacian 0.1846405E+00 (-1/4)Del**2(Rho)) -0.4616013E-01 Diamond 0.8840272E-01 Metallicity 0.2359495E+01 Ellipticity 0.5652633E-02 Gb(Abramov) 0.4892585E-01 Vb(Abramov) -0.5169157E-01 Hb(Abramov) -0.2765719E-02 Ex_ueg -0.1285517E-01 Ec_ueg -0.2300243E-02 Delta_ex -0.1503932E-01 Delta_ec 0.5507856E-02 Delta_et -0.5743756E-01 Pxc 0.5588615E+01 Qxc -0.2730521E+01 3,-1 83 3 +1 -1.410238 2.175607 1.104477 Rho 0.2682680E-01 |GRAD(Rho)| 0.2540989E-15 GRAD(Rho)x -0.1996489E-15 GRAD(Rho)y 0.6702332E-16 GRAD(Rho)z -0.1421776E-15 Laplacian 0.1035513E+00 (-1/4)Del**2(Rho)) -0.2588782E-01 Diamond 0.1398010E-01 Metallicity 0.1599825E+01 Ellipticity -0.3107282E+01 Gb(Abramov) 0.2416121E-01 Vb(Abramov) -0.2243460E-01 Hb(Abramov) 0.1726609E-02 Ex_ueg -0.5931213E-02 Ec_ueg -0.1181123E-02 Delta_ex -0.6469703E-02 Delta_ec 0.1590478E-02 Delta_et -0.1431234E-01 Pxc 0.5021671E+01 Qxc -0.4067773E+01 3,+1 84 3 +1 -1.756489 1.713457 -1.728674 Rho 0.1022047E-01 |GRAD(Rho)| 0.2141055E-14 GRAD(Rho)x -0.1643757E-14 GRAD(Rho)y -0.1359871E-14 GRAD(Rho)z 0.1814598E-15 Laplacian 0.4777535E-01 (-1/4)Del**2(Rho)) -0.1194384E-01 Diamond 0.1583719E-02 Metallicity 0.6942687E+00 Ellipticity -0.1303527E+01 Gb(Abramov) 0.9344598E-02 Vb(Abramov) -0.6745357E-02 Hb(Abramov) 0.2599241E-02 Ex_ueg -0.1638123E-02 Ec_ueg -0.3780559E-03 Delta_ex -0.2268513E-02 Delta_ec 0.6502796E-03 Delta_et -0.4661953E-02 Pxc 0.4333017E+01 Qxc -0.3488519E+01 3,+1 85 3 +1 -2.219832 1.149033 1.373404 Rho 0.2579744E-01 |GRAD(Rho)| 0.8434409E-14 GRAD(Rho)x -0.3903339E-14 GRAD(Rho)y -0.3813983E-14 GRAD(Rho)z 0.6430920E-14 Laplacian 0.9636678E-01 (-1/4)Del**2(Rho)) -0.2409170E-01 Diamond 0.1249515E-01 Metallicity 0.1610572E+01 Ellipticity -0.3533655E+01 Gb(Abramov) 0.2252803E-01 Vb(Abramov) -0.2096437E-01 Hb(Abramov) 0.1563663E-02 Ex_ueg -0.5629725E-02 Ec_ueg -0.1128947E-02 Delta_ex -0.5974719E-02 Delta_ec 0.1511541E-02 Delta_et -0.1347117E-01 Pxc 0.4986703E+01 Qxc -0.3952734E+01 3,+1 86 3 -1 -0.842245 2.042901 2.975708 Rho 0.1128578E+00 |GRAD(Rho)| 0.5650074E-15 GRAD(Rho)x 0.3767331E-15 GRAD(Rho)y 0.3632416E-15 GRAD(Rho)z -0.2129814E-15 Laplacian 0.4373204E+00 (-1/4)Del**2(Rho)) -0.1093301E+00 Diamond 0.6294557E+00 Metallicity 0.4153038E+01 Ellipticity 0.3696574E-01 Gb(Abramov) 0.1485621E+00 Vb(Abramov) -0.1877940E+00 Hb(Abramov) -0.3923197E-01 Ex_ueg -0.4028039E-01 Ec_ueg -0.6110306E-02 Delta_ex -0.4384841E-01 Delta_ec 0.1187294E-01 Delta_et -0.1509372E+00 Pxc 0.6592206E+01 Qxc -0.3693138E+01 3,-1 87 3 +3 -0.050420 2.316755 0.035583 Rho 0.4691842E-02 |GRAD(Rho)| 0.5019508E-17 GRAD(Rho)x 0.9129437E-18 GRAD(Rho)y -0.4290103E-17 GRAD(Rho)z 0.2440698E-17 Laplacian 0.1935591E-01 (-1/4)Del**2(Rho)) -0.4838976E-02 Diamond 0.1625105E-03 Metallicity 0.4681359E+00 Ellipticity -0.3846361E+00 Gb(Abramov) 0.3603534E-02 Vb(Abramov) -0.2368092E-02 Hb(Abramov) 0.1235442E-02 Ex_ueg -0.5801090E-03 Ec_ueg -0.1336757E-03 Delta_ex -0.6960817E-03 Delta_ec 0.1549497E-03 Delta_et -0.1010546E-02 Pxc 0.4339674E+01 Qxc -0.4492308E+01 3,+3 88 3 -1 -0.539837 1.744244 1.685392 Rho 0.4946670E-01 |GRAD(Rho)| 0.9317430E-16 GRAD(Rho)x 0.1522076E-16 GRAD(Rho)y -0.2404727E-17 GRAD(Rho)z -0.9189122E-16 Laplacian 0.1931949E+00 (-1/4)Del**2(Rho)) -0.4829871E-01 Diamond 0.9643482E-01 Metallicity 0.2377602E+01 Ellipticity 0.2512256E-01 Gb(Abramov) 0.5133833E-01 Vb(Abramov) -0.5437794E-01 Hb(Abramov) -0.3039614E-02 Ex_ueg -0.1341124E-01 Ec_ueg -0.2385416E-02 Delta_ex -0.1585583E-01 Delta_ec 0.5750376E-02 Delta_et -0.6046509E-01 Pxc 0.5622180E+01 Qxc -0.2757355E+01 3,-1 89 3 -1 -1.928579 0.886628 3.075241 Rho 0.1487683E+00 |GRAD(Rho)| 0.2273406E-14 GRAD(Rho)x -0.1114235E-14 GRAD(Rho)y -0.1905892E-14 GRAD(Rho)z -0.5426161E-15 Laplacian 0.5725567E+00 (-1/4)Del**2(Rho)) -0.1431392E+00 Diamond 0.1144192E+01 Metallicity 0.5027034E+01 Ellipticity 0.7136894E-01 Gb(Abramov) 0.2153537E+00 Vb(Abramov) -0.2875682E+00 Hb(Abramov) -0.7221452E-01 Ex_ueg -0.5821909E-01 Ec_ueg -0.8364712E-02 Delta_ex -0.6131582E-01 Delta_ec 0.1447303E-01 Delta_et -0.1922517E+00 Pxc 0.6960084E+01 Qxc -0.4236556E+01 3,-1 90 3 -1 0.474975 1.718712 -1.643228 Rho 0.5491230E-01 |GRAD(Rho)| 0.2029955E-13 GRAD(Rho)x -0.7261973E-14 GRAD(Rho)y 0.1436843E-13 GRAD(Rho)z -0.1236461E-13 Laplacian 0.2102975E+00 (-1/4)Del**2(Rho)) -0.5257437E-01 Diamond 0.1203696E+00 Metallicity 0.2599532E+01 Ellipticity 0.1704107E-01 Gb(Abramov) 0.5782771E-01 Vb(Abramov) -0.6308104E-01 Hb(Abramov) -0.5253336E-02 Ex_ueg -0.1541504E-01 Ec_ueg -0.2688154E-02 Delta_ex -0.1769743E-01 Delta_ec 0.6212638E-02 Delta_et -0.6710327E-01 Pxc 0.5734432E+01 Qxc -0.2848618E+01 3,-1 91 3 -1 -0.606439 2.811625 -1.703240 Rho 0.1730609E+00 |GRAD(Rho)| 0.3006156E-15 GRAD(Rho)x 0.2695869E-15 GRAD(Rho)y -0.2568204E-16 GRAD(Rho)z 0.1305108E-15 Laplacian 0.7107838E+00 (-1/4)Del**2(Rho)) -0.1776959E+00 Diamond 0.1678266E+01 Metallicity 0.5210432E+01 Ellipticity 0.3769379E-01 Gb(Abramov) 0.2727761E+00 Vb(Abramov) -0.3678562E+00 Hb(Abramov) -0.9508013E-01 Ex_ueg -0.7122791E-01 Ec_ueg -0.9935739E-02 Delta_ex -0.7882494E-01 Delta_ec 0.1692016E-01 Delta_et -0.2280145E+00 Pxc 0.7168859E+01 Qxc -0.4658640E+01 3,-1 92 3 +1 -0.239057 2.999548 0.216700 Rho 0.5669422E-02 |GRAD(Rho)| 0.2710845E-15 GRAD(Rho)x -0.2636425E-15 GRAD(Rho)y -0.6132604E-16 GRAD(Rho)z -0.1478322E-16 Laplacian 0.2370114E-01 (-1/4)Del**2(Rho)) -0.5925285E-02 Diamond 0.5588758E-03 Metallicity 0.5240932E+00 Ellipticity -0.1859512E+01 Gb(Abramov) 0.4467757E-02 Vb(Abramov) -0.3010229E-02 Hb(Abramov) 0.1457528E-02 Ex_ueg -0.7466265E-03 Ec_ueg -0.1758335E-03 Delta_ex -0.1132523E-02 Delta_ec 0.6123041E-03 Delta_et -0.3506356E-02 Pxc 0.4246212E+01 Qxc -0.1849608E+01 3,+1 93 3 +1 0.482521 1.709518 0.510587 Rho 0.8099353E-02 |GRAD(Rho)| 0.8077064E-17 GRAD(Rho)x 0.6185774E-17 GRAD(Rho)y 0.5017861E-17 GRAD(Rho)z -0.1340235E-17 Laplacian 0.3179523E-01 (-1/4)Del**2(Rho)) -0.7948807E-02 Diamond 0.7633483E-03 Metallicity 0.7079487E+00 Ellipticity -0.1388316E+01 Gb(Abramov) 0.6237096E-02 Vb(Abramov) -0.4525385E-02 Hb(Abramov) 0.1711711E-02 Ex_ueg -0.1201302E-02 Ec_ueg -0.2826358E-03 Delta_ex -0.1420562E-02 Delta_ec 0.4293071E-03 Delta_et -0.2904271E-02 Pxc 0.4250354E+01 Qxc -0.3308965E+01 3,+1 94 3 -1 -0.092107 3.178377 -3.068576 Rho 0.2234906E+00 |GRAD(Rho)| 0.3708350E-15 GRAD(Rho)x 0.1012916E-15 GRAD(Rho)y -0.1944517E-15 GRAD(Rho)z -0.2990772E-15 Laplacian 0.8361689E+00 (-1/4)Del**2(Rho)) -0.2090422E+00 Diamond 0.2703828E+01 Metallicity 0.6782940E+01 Ellipticity 0.4054657E-02 Gb(Abramov) 0.3756816E+00 Vb(Abramov) -0.5423210E+00 Hb(Abramov) -0.1666394E+00 Ex_ueg -0.1001684E+00 Ec_ueg -0.1330534E-01 Delta_ex -0.9910958E-01 Delta_ec 0.1875067E-01 Delta_et -0.2584879E+00 Pxc 0.7528438E+01 Qxc -0.5285656E+01 3,-1 95 3 +1 0.159474 2.970219 -0.173634 Rho 0.5889888E-02 |GRAD(Rho)| 0.8405793E-17 GRAD(Rho)x 0.6874233E-17 GRAD(Rho)y -0.1735312E-17 GRAD(Rho)z 0.4515637E-17 Laplacian 0.2416285E-01 (-1/4)Del**2(Rho)) -0.6040712E-02 Diamond 0.7079658E-03 Metallicity 0.5478270E+00 Ellipticity -0.4578850E+01 Gb(Abramov) 0.4578686E-02 Vb(Abramov) -0.3116659E-02 Hb(Abramov) 0.1462027E-02 Ex_ueg -0.7855873E-03 Ec_ueg -0.1854071E-03 Delta_ex -0.1244595E-02 Delta_ec 0.7683435E-03 Delta_et -0.4379822E-02 Pxc 0.4237095E+01 Qxc -0.1619843E+01 3,+1 96 3 -1 0.073167 2.982814 -0.089892 Rho 0.5896704E-02 |GRAD(Rho)| 0.8269946E-17 GRAD(Rho)x 0.6835870E-17 GRAD(Rho)y -0.1092762E-18 GRAD(Rho)z 0.4653058E-17 Laplacian 0.2381840E-01 (-1/4)Del**2(Rho)) -0.5954601E-02 Diamond 0.7887651E-03 Metallicity 0.5568216E+00 Ellipticity 0.3842910E+01 Gb(Abramov) 0.4522342E-02 Vb(Abramov) -0.3090084E-02 Hb(Abramov) 0.1432258E-02 Ex_ueg -0.7867997E-03 Ec_ueg -0.1857034E-03 Delta_ex -0.1294058E-02 Delta_ec 0.8768799E-03 Delta_et -0.4953451E-02 Pxc 0.4236862E+01 Qxc -0.1475753E+01 3,-1 97 3 -1 -0.860349 3.022344 1.951466 Rho 0.1567171E+00 |GRAD(Rho)| 0.5784719E-15 GRAD(Rho)x 0.3065446E-15 GRAD(Rho)y 0.1983819E-15 GRAD(Rho)z 0.4486700E-15 Laplacian 0.6080812E+00 (-1/4)Del**2(Rho)) -0.1520203E+00 Diamond 0.1289978E+01 Metallicity 0.5162329E+01 Ellipticity 0.7050961E-01 Gb(Abramov) 0.2321433E+00 Vb(Abramov) -0.3122664E+00 Hb(Abramov) -0.8012303E-01 Ex_ueg -0.6240322E-01 Ec_ueg -0.8874884E-02 Delta_ex -0.6592792E-01 Delta_ec 0.1511156E-01 Delta_et -0.2019949E+00 Pxc 0.7031441E+01 Qxc -0.4362748E+01 3,-1 98 3 +1 -0.534109 0.484885 -1.657894 Rho 0.9986545E-02 |GRAD(Rho)| 0.1658796E-15 GRAD(Rho)x -0.1308615E-15 GRAD(Rho)y -0.8412761E-16 GRAD(Rho)z -0.5756615E-16 Laplacian 0.4101690E-01 (-1/4)Del**2(Rho)) -0.1025422E-01 Diamond 0.1299829E-02 Metallicity 0.7780529E+00 Ellipticity -0.1412312E+01 Gb(Abramov) 0.8165871E-02 Vb(Abramov) -0.6077518E-02 Hb(Abramov) 0.2088353E-02 Ex_ueg -0.1588323E-02 Ec_ueg -0.3674374E-03 Delta_ex -0.1929534E-02 Delta_ec 0.5467562E-03 Delta_et -0.3906179E-02 Pxc 0.4322703E+01 Qxc -0.3529057E+01 3,+1 99 3 +3 0.007342 -0.072911 2.295568 Rho 0.4722879E-02 |GRAD(Rho)| 0.2266432E-15 GRAD(Rho)x -0.9685909E-16 GRAD(Rho)y 0.9047351E-16 GRAD(Rho)z -0.1838477E-15 Laplacian 0.1947420E-01 (-1/4)Del**2(Rho)) -0.4868551E-02 Diamond 0.1699643E-03 Metallicity 0.4704335E+00 Ellipticity -0.3754943E+00 Gb(Abramov) 0.3627422E-02 Vb(Abramov) -0.2386293E-02 Hb(Abramov) 0.1241129E-02 Ex_ueg -0.5852313E-03 Ec_ueg -0.1350067E-03 Delta_ex -0.7065397E-03 Delta_ec 0.1648194E-03 Delta_et -0.1062260E-02 Pxc 0.4334830E+01 Qxc -0.4286752E+01 3,+3 100 3 +1 0.167313 -0.193319 2.951339 Rho 0.5605439E-02 |GRAD(Rho)| 0.5323603E-16 GRAD(Rho)x 0.2881177E-16 GRAD(Rho)y -0.4418590E-16 GRAD(Rho)z -0.7180718E-17 Laplacian 0.2323820E-01 (-1/4)Del**2(Rho)) -0.5809549E-02 Diamond 0.5714398E-03 Metallicity 0.5245178E+00 Ellipticity -0.2156367E+01 Gb(Abramov) 0.4380901E-02 Vb(Abramov) -0.2952253E-02 Hb(Abramov) 0.1428648E-02 Ex_ueg -0.7354130E-03 Ec_ueg -0.1730597E-03 Delta_ex -0.1133116E-02 Delta_ec 0.6456068E-03 Delta_et -0.3662812E-02 Pxc 0.4249477E+01 Qxc -0.1755118E+01 3,+1 101 3 +1 0.443133 -0.717216 -1.762021 Rho 0.5657141E-02 |GRAD(Rho)| 0.8417932E-17 GRAD(Rho)x -0.7044574E-17 GRAD(Rho)y -0.4489328E-17 GRAD(Rho)z 0.1039945E-17 Laplacian 0.2213563E-01 (-1/4)Del**2(Rho)) -0.5533909E-02 Diamond 0.4363629E-03 Metallicity 0.5591344E+00 Ellipticity -0.1579137E+01 Gb(Abramov) 0.4204972E-02 Vb(Abramov) -0.2876036E-02 Hb(Abramov) 0.1328936E-02 Ex_ueg -0.7444709E-03 Ec_ueg -0.1753009E-03 Delta_ex -0.9910185E-03 Delta_ec 0.4536338E-03 Delta_et -0.2653436E-02 Pxc 0.4246816E+01 Qxc -0.2184622E+01 3,+1 102 3 +3 0.936910 -1.106258 -1.227577 Rho 0.4293968E-02 |GRAD(Rho)| 0.3020021E-17 GRAD(Rho)x 0.1080283E-17 GRAD(Rho)y 0.1547211E-17 GRAD(Rho)z 0.2357892E-17 Laplacian 0.1642073E-01 (-1/4)Del**2(Rho)) -0.4105182E-02 Diamond 0.1210456E-03 Metallicity 0.4760495E+00 Ellipticity -0.4573438E+00 Gb(Abramov) 0.3062500E-02 Vb(Abramov) -0.2019817E-02 Hb(Abramov) 0.1042682E-02 Ex_ueg -0.5154622E-03 Ec_ueg -0.1166571E-03 Delta_ex -0.5757362E-03 Delta_ec 0.1290562E-03 Delta_et -0.8285796E-03 Pxc 0.4418612E+01 Qxc -0.4461128E+01 3,+3 103 3 -1 0.315003 -0.431246 0.356807 Rho 0.1356518E+00 |GRAD(Rho)| 0.7461006E-16 GRAD(Rho)x 0.3507318E-16 GRAD(Rho)y -0.6513772E-16 GRAD(Rho)z -0.9675214E-17 Laplacian 0.6969881E+00 (-1/4)Del**2(Rho)) -0.1742470E+00 Diamond 0.1500672E+01 Metallicity 0.3540763E+01 Ellipticity 0.5136319E-02 Gb(Abramov) 0.2189926E+00 Vb(Abramov) -0.2637382E+00 Hb(Abramov) -0.4474557E-01 Ex_ueg -0.5147768E-01 Ec_ueg -0.7531447E-02 Delta_ex -0.7587006E-01 Delta_ec 0.2318713E-01 Delta_et -0.3141846E+00 Pxc 0.6835032E+01 Qxc -0.3272076E+01 3,-1 104 3 +1 0.502383 0.451917 1.637036 Rho 0.8753576E-02 |GRAD(Rho)| 0.1771926E-13 GRAD(Rho)x -0.1503508E-13 GRAD(Rho)y 0.7084270E-14 GRAD(Rho)z -0.6142615E-14 Laplacian 0.3498522E-01 (-1/4)Del**2(Rho)) -0.8746304E-02 Diamond 0.9615209E-03 Metallicity 0.7323260E+00 Ellipticity -0.1429798E+01 Gb(Abramov) 0.6898394E-02 Vb(Abramov) -0.5050483E-02 Hb(Abramov) 0.1847910E-02 Ex_ueg -0.1332393E-02 Ec_ueg -0.3118568E-03 Delta_ex -0.1606504E-02 Delta_ec 0.4941916E-03 Delta_et -0.3391648E-02 Pxc 0.4272452E+01 Qxc -0.3250772E+01 3,+1 105 3 +1 0.264577 -1.589577 -1.609525 Rho 0.5942064E-02 |GRAD(Rho)| 0.6756399E-17 GRAD(Rho)x -0.2941957E-17 GRAD(Rho)y 0.5789894E-17 GRAD(Rho)z -0.1863049E-17 Laplacian 0.2269475E-01 (-1/4)Del**2(Rho)) -0.5673688E-02 Diamond 0.5415474E-03 Metallicity 0.5919022E+00 Ellipticity -0.2016156E+01 Gb(Abramov) 0.4342170E-02 Vb(Abramov) -0.3010652E-02 Hb(Abramov) 0.1331518E-02 Ex_ueg -0.7948799E-03 Ec_ueg -0.1876762E-03 Delta_ex -0.1074125E-02 Delta_ec 0.5486790E-03 Delta_et -0.3203600E-02 Pxc 0.4235378E+01 Qxc -0.1957656E+01 3,+1 106 3 +3 1.091854 1.081473 1.044404 Rho 0.4681089E-02 |GRAD(Rho)| 0.9922263E-12 GRAD(Rho)x 0.9028770E-12 GRAD(Rho)y -0.4081389E-12 GRAD(Rho)z 0.5243055E-13 Laplacian 0.1828840E-01 (-1/4)Del**2(Rho)) -0.4572101E-02 Diamond 0.1231858E-03 Metallicity 0.4935701E+00 Ellipticity -0.3628552E+00 Gb(Abramov) 0.3424176E-02 Vb(Abramov) -0.2276251E-02 Hb(Abramov) 0.1147925E-02 Ex_ueg -0.5783369E-03 Ec_ueg -0.1332147E-03 Delta_ex -0.6270007E-03 Delta_ec 0.9231024E-04 Delta_et -0.6883161E-03 Pxc 0.4341390E+01 Qxc -0.6792320E+01 3,+3 107 3 -1 0.326031 0.374878 -0.411015 Rho 0.1362211E+00 |GRAD(Rho)| 0.1004571E-13 GRAD(Rho)x 0.6130404E-14 GRAD(Rho)y 0.5556500E-14 GRAD(Rho)z -0.5697349E-14 Laplacian 0.7032309E+00 (-1/4)Del**2(Rho)) -0.1758077E+00 Diamond 0.1522710E+01 Metallicity 0.3533913E+01 Ellipticity 0.5003860E-02 Gb(Abramov) 0.2207534E+00 Vb(Abramov) -0.2656990E+00 Hb(Abramov) -0.4494563E-01 Ex_ueg -0.5176596E-01 Ec_ueg -0.7567389E-02 Delta_ex -0.7663380E-01 Delta_ec 0.2339289E-01 Delta_et -0.3172705E+00 Pxc 0.6840663E+01 Qxc -0.3275944E+01 3,-1 108 3 +1 1.127302 -1.308979 2.175584 Rho 0.2378540E-01 |GRAD(Rho)| 0.1649876E-14 GRAD(Rho)x 0.2429836E-15 GRAD(Rho)y -0.1490891E-14 GRAD(Rho)z -0.6635475E-15 Laplacian 0.8771096E-01 (-1/4)Del**2(Rho)) -0.2192774E-01 Diamond 0.1042577E-01 Metallicity 0.1545527E+01 Ellipticity -0.3746607E+01 Gb(Abramov) 0.2026681E-01 Vb(Abramov) -0.1860588E-01 Hb(Abramov) 0.1660927E-02 Ex_ueg -0.5052026E-02 Ec_ueg -0.1027757E-02 Delta_ex -0.5350002E-02 Delta_ec 0.1429156E-02 Delta_et -0.1247785E-01 Pxc 0.4915583E+01 Qxc -0.3743470E+01 3,+1 109 3 +1 2.020311 1.970882 -2.038664 Rho 0.1182423E-01 |GRAD(Rho)| 0.1216385E-16 GRAD(Rho)x -0.6265803E-17 GRAD(Rho)y -0.1027987E-16 GRAD(Rho)z -0.1738750E-17 Laplacian 0.5312741E-01 (-1/4)Del**2(Rho)) -0.1328185E-01 Diamond 0.1564993E-02 Metallicity 0.7960053E+00 Ellipticity -0.1094469E+01 Gb(Abramov) 0.1061664E-01 Vb(Abramov) -0.7951427E-02 Hb(Abramov) 0.2665213E-02 Ex_ueg -0.1989523E-02 Ec_ueg -0.4514610E-03 Delta_ex -0.2447703E-02 Delta_ec 0.4153461E-03 Delta_et -0.3315570E-02 Pxc 0.4406854E+01 Qxc -0.5893165E+01 3,+1 110 3 -1 1.633274 -1.724325 0.421503 Rho 0.5183203E-01 |GRAD(Rho)| 0.1066346E-14 GRAD(Rho)x -0.6999808E-15 GRAD(Rho)y 0.6837885E-15 GRAD(Rho)z 0.4237382E-15 Laplacian 0.1954345E+00 (-1/4)Del**2(Rho)) -0.4885862E-01 Diamond 0.1041555E+00 Metallicity 0.2540635E+01 Ellipticity 0.1823575E-01 Gb(Abramov) 0.5326106E-01 Vb(Abramov) -0.5766351E-01 Hb(Abramov) -0.4402448E-02 Ex_ueg -0.1427302E-01 Ec_ueg -0.2516389E-02 Delta_ex -0.1623812E-01 Delta_ec 0.5830197E-02 Delta_et -0.6205967E-01 Pxc 0.5672026E+01 Qxc -0.2785176E+01 3,-1 111 3 +1 2.126117 -1.353663 1.107726 Rho 0.2551182E-01 |GRAD(Rho)| 0.5845609E-16 GRAD(Rho)x -0.5418965E-16 GRAD(Rho)y 0.2022627E-16 GRAD(Rho)z -0.8455401E-17 Laplacian 0.9806268E-01 (-1/4)Del**2(Rho)) -0.2451567E-01 Diamond 0.1301616E-01 Metallicity 0.1553621E+01 Ellipticity -0.3748405E+01 Gb(Abramov) 0.2269179E-01 Vb(Abramov) -0.2086791E-01 Hb(Abramov) 0.1823881E-02 Ex_ueg -0.5546771E-02 Ec_ueg -0.1114518E-02 Delta_ex -0.6113884E-02 Delta_ec 0.1631542E-02 Delta_et -0.1448045E-01 Pxc 0.4976835E+01 Qxc -0.3747305E+01 3,+1 112 3 +1 1.660506 -0.515188 -0.564588 Rho 0.8180947E-02 |GRAD(Rho)| 0.1913647E-16 GRAD(Rho)x 0.2725321E-17 GRAD(Rho)y -0.1425795E-16 GRAD(Rho)z 0.1246949E-16 Laplacian 0.3210956E-01 (-1/4)Del**2(Rho)) -0.8027391E-02 Diamond 0.7926284E-03 Metallicity 0.7128280E+00 Ellipticity -0.1406409E+01 Gb(Abramov) 0.6305285E-02 Vb(Abramov) -0.4583180E-02 Hb(Abramov) 0.1722105E-02 Ex_ueg -0.1217465E-02 Ec_ueg -0.2862697E-03 Delta_ex -0.1443620E-02 Delta_ec 0.4431238E-03 Delta_et -0.2997196E-02 Pxc 0.4252860E+01 Qxc -0.3257826E+01 3,+1 113 3 -1 1.645623 -0.614437 1.721950 Rho 0.4090367E-01 |GRAD(Rho)| 0.3516758E-16 GRAD(Rho)x -0.1171150E-16 GRAD(Rho)y 0.1936529E-18 GRAD(Rho)z -0.3315965E-16 Laplacian 0.1582529E+00 (-1/4)Del**2(Rho)) -0.3956323E-01 Diamond 0.6077059E-01 Metallicity 0.2114456E+01 Ellipticity 0.2943034E-01 Gb(Abramov) 0.4031794E-01 Vb(Abramov) -0.4107264E-01 Hb(Abramov) -0.7547062E-03 Ex_ueg -0.1040882E-01 Ec_ueg -0.1918604E-02 Delta_ex -0.1237241E-01 Delta_ec 0.4693231E-02 Delta_et -0.4692023E-01 Pxc 0.5425203E+01 Qxc -0.2636224E+01 3,-1 114 3 +1 1.660902 0.472008 0.541097 Rho 0.7650427E-02 |GRAD(Rho)| 0.1614531E-16 GRAD(Rho)x -0.1294839E-16 GRAD(Rho)y -0.8546607E-17 GRAD(Rho)z -0.4468298E-17 Laplacian 0.2997913E-01 (-1/4)Del**2(Rho)) -0.7494782E-02 Diamond 0.6958532E-03 Metallicity 0.6827635E+00 Ellipticity -0.1413532E+01 Gb(Abramov) 0.5849382E-02 Vb(Abramov) -0.4203982E-02 Hb(Abramov) 0.1645400E-02 Ex_ueg -0.1113352E-02 Ec_ueg -0.2626960E-03 Delta_ex -0.1335985E-02 Delta_ec 0.4328883E-03 Delta_et -0.2861494E-02 Pxc 0.4238178E+01 Qxc -0.3086213E+01 3,+1 115 3 -1 2.037490 2.916211 -0.852465 Rho 0.1112000E+00 |GRAD(Rho)| 0.9458389E-14 GRAD(Rho)x 0.5791405E-14 GRAD(Rho)y -0.3288612E-14 GRAD(Rho)z 0.6716084E-14 Laplacian 0.4326640E+00 (-1/4)Del**2(Rho)) -0.1081660E+00 Diamond 0.6107277E+00 Metallicity 0.4095471E+01 Ellipticity 0.3275813E-01 Gb(Abramov) 0.1459424E+00 Vb(Abramov) -0.1837189E+00 Hb(Abramov) -0.3777644E-01 Ex_ueg -0.3949343E-01 Ec_ueg -0.6008365E-02 Delta_ex -0.4321477E-01 Delta_ec 0.1175900E-01 Delta_et -0.1490428E+00 Pxc 0.6573074E+01 Qxc -0.3675039E+01 3,-1 116 3 -1 1.716059 1.662309 -0.513568 Rho 0.4429840E-01 |GRAD(Rho)| 0.2304305E-15 GRAD(Rho)x -0.1826531E-15 GRAD(Rho)y -0.1001610E-15 GRAD(Rho)z -0.9850803E-16 Laplacian 0.1688927E+00 (-1/4)Del**2(Rho)) -0.4222317E-01 Diamond 0.7242128E-01 Metallicity 0.2262815E+01 Ellipticity 0.9225269E-02 Gb(Abramov) 0.4407265E-01 Vb(Abramov) -0.4592213E-01 Hb(Abramov) -0.1849479E-02 Ex_ueg -0.1157628E-01 Ec_ueg -0.2102223E-02 Delta_ex -0.1347618E-01 Delta_ec 0.5018567E-02 Delta_et -0.5125446E-01 Pxc 0.5506687E+01 Qxc -0.2685265E+01 3,-1 117 3 -1 2.959792 0.050114 -0.031088 Rho 0.5434749E-02 |GRAD(Rho)| 0.1110223E-16 GRAD(Rho)x 0.9852528E-18 GRAD(Rho)y 0.9775737E-17 GRAD(Rho)z 0.5169504E-17 Laplacian 0.2202845E-01 (-1/4)Del**2(Rho)) -0.5507113E-02 Diamond 0.6711827E-03 Metallicity 0.5255270E+00 Ellipticity 0.3570087E+01 Gb(Abramov) 0.4153765E-02 Vb(Abramov) -0.2800416E-02 Hb(Abramov) 0.1353348E-02 Ex_ueg -0.7057069E-03 Ec_ueg -0.1656695E-03 Delta_ex -0.1193312E-02 Delta_ec 0.8368610E-03 Delta_et -0.4602678E-02 Pxc 0.4259727E+01 Qxc -0.1425938E+01 3,-1 118 3 +1 2.952043 -0.196396 0.223457 Rho 0.5324452E-02 |GRAD(Rho)| 0.2857758E-17 GRAD(Rho)x 0.9406657E-19 GRAD(Rho)y -0.2680473E-17 GRAD(Rho)z 0.9864045E-18 Laplacian 0.2208582E-01 (-1/4)Del**2(Rho)) -0.5521454E-02 Diamond 0.5139221E-03 Metallicity 0.5065526E+00 Ellipticity -0.2138399E+01 Gb(Abramov) 0.4147121E-02 Vb(Abramov) -0.2772787E-02 Hb(Abramov) 0.1374334E-02 Ex_ueg -0.6866756E-03 Ec_ueg -0.1609019E-03 Delta_ex -0.1071798E-02 Delta_ec 0.6244930E-03 Delta_et -0.3484604E-02 Pxc 0.4267666E+01 Qxc -0.1716269E+01 3,+1 119 3 -1 2.731051 0.487287 1.849581 Rho 0.9890242E-01 |GRAD(Rho)| 0.1626498E-15 GRAD(Rho)x -0.2948691E-16 GRAD(Rho)y -0.5739834E-16 GRAD(Rho)z 0.1493014E-15 Laplacian 0.4104212E+00 (-1/4)Del**2(Rho)) -0.1026053E+00 Diamond 0.5062861E+00 Metallicity 0.3551361E+01 Ellipticity 0.7203530E-02 Gb(Abramov) 0.1291350E+00 Vb(Abramov) -0.1556646E+00 Hb(Abramov) -0.2652965E-01 Ex_ueg -0.3378010E-01 Ec_ueg -0.5258612E-02 Delta_ex -0.3993898E-01 Delta_ec 0.1155261E-01 Delta_et -0.1432879E+00 Pxc 0.6423767E+01 Qxc -0.3457140E+01 3,-1 120 3 -1 3.088830 -0.010697 3.251955 Rho 0.2254484E+00 |GRAD(Rho)| 0.8505231E-15 GRAD(Rho)x -0.4360119E-15 GRAD(Rho)y -0.2203641E-15 GRAD(Rho)z -0.6962204E-15 Laplacian 0.8271748E+00 (-1/4)Del**2(Rho)) -0.2067937E+00 Diamond 0.2714104E+01 Metallicity 0.6957095E+01 Ellipticity 0.6311632E-02 Gb(Abramov) 0.3776430E+00 Vb(Abramov) -0.5484924E+00 Hb(Abramov) -0.1708493E+00 Ex_ueg -0.1013401E+00 Ec_ueg -0.1343901E-01 Delta_ex -0.9833010E-01 Delta_ec 0.1861753E-01 Delta_et -0.2572344E+00 Pxc 0.7540743E+01 Qxc -0.5281588E+01 3,-1 121 3 -1 3.003824 0.859524 -2.055671 Rho 0.1314930E+00 |GRAD(Rho)| 0.1569302E-12 GRAD(Rho)x 0.2437062E-13 GRAD(Rho)y -0.1468878E-12 GRAD(Rho)z -0.4956953E-13 Laplacian 0.5129296E+00 (-1/4)Del**2(Rho)) -0.1282324E+00 Diamond 0.8882675E+00 Metallicity 0.4568006E+01 Ellipticity 0.3528142E-01 Gb(Abramov) 0.1831160E+00 Vb(Abramov) -0.2379996E+00 Hb(Abramov) -0.5488359E-01 Ex_ueg -0.4938428E-01 Ec_ueg -0.7269549E-02 Delta_ex -0.5335520E-01 Delta_ec 0.1345795E-01 Delta_et -0.1756831E+00 Pxc 0.6793307E+01 Qxc -0.3964587E+01 3,-1 122 3 +1 2.961524 0.148484 -0.135037 Rho 0.5425010E-02 |GRAD(Rho)| 0.1746492E-16 GRAD(Rho)x 0.9715563E-18 GRAD(Rho)y 0.1148946E-16 GRAD(Rho)z -0.1311761E-16 Laplacian 0.2243380E-01 (-1/4)Del**2(Rho)) -0.5608449E-02 Diamond 0.6012054E-03 Metallicity 0.5144912E+00 Ellipticity -0.4032846E+01 Gb(Abramov) 0.4219882E-02 Vb(Abramov) -0.2831316E-02 Hb(Abramov) 0.1388567E-02 Ex_ueg -0.7040213E-03 Ec_ueg -0.1652483E-03 Delta_ex -0.1147676E-02 Delta_ec 0.7322853E-03 Delta_et -0.4065125E-02 Pxc 0.4260384E+01 Qxc -0.1567252E+01 3,+1 123 3 +3 2.284466 -0.011774 0.020508 Rho 0.4383036E-02 |GRAD(Rho)| 0.3592114E-17 GRAD(Rho)x 0.3045308E-17 GRAD(Rho)y -0.1883430E-17 GRAD(Rho)z -0.2864792E-18 Laplacian 0.1807449E-01 (-1/4)Del**2(Rho)) -0.4518623E-02 Diamond 0.1440845E-03 Metallicity 0.4475471E+00 Ellipticity -0.3154302E+00 Gb(Abramov) 0.3349465E-02 Vb(Abramov) -0.2180307E-02 Hb(Abramov) 0.1169158E-02 Ex_ueg -0.5297673E-03 Ec_ueg -0.1204597E-03 Delta_ex -0.6449450E-03 Delta_ec 0.1560442E-03 Delta_et -0.9836331E-03 Pxc 0.4397879E+01 Qxc -0.4133091E+01 3,+3 124 3 +1 2.155910 1.123410 -1.323588 Rho 0.2440517E-01 |GRAD(Rho)| 0.1798469E-16 GRAD(Rho)x 0.1548631E-16 GRAD(Rho)y -0.7263838E-17 GRAD(Rho)z 0.5555179E-17 Laplacian 0.9312048E-01 (-1/4)Del**2(Rho)) -0.2328012E-01 Diamond 0.1203324E-01 Metallicity 0.1519513E+01 Ellipticity -0.4547471E+01 Gb(Abramov) 0.2141582E-01 Vb(Abramov) -0.1955152E-01 Hb(Abramov) 0.1864301E-02 Ex_ueg -0.5228304E-02 Ec_ueg -0.1058812E-02 Delta_ex -0.5782659E-02 Delta_ec 0.1630483E-02 Delta_et -0.1429538E-01 Pxc 0.4937895E+01 Qxc -0.3546594E+01 3,+1 125 3 -1 -2.967759 0.853685 2.108544 Rho 0.1035679E+00 |GRAD(Rho)| 0.3452902E-15 GRAD(Rho)x -0.5485047E-16 GRAD(Rho)y 0.1241344E-15 GRAD(Rho)z -0.3175018E-15 Laplacian 0.4088706E+00 (-1/4)Del**2(Rho)) -0.1022177E+00 Diamond 0.5273835E+00 Metallicity 0.3849482E+01 Ellipticity 0.3489286E-01 Gb(Abramov) 0.1337259E+00 Vb(Abramov) -0.1652342E+00 Hb(Abramov) -0.3150829E-01 Ex_ueg -0.3592128E-01 Ec_ueg -0.5541683E-02 Delta_ex -0.4012233E-01 Delta_ec 0.1122277E-01 Delta_et -0.1402555E+00 Pxc 0.6482016E+01 Qxc -0.3575083E+01 3,-1 126 3 -1 -2.069331 2.929155 0.876452 Rho 0.9687555E-01 |GRAD(Rho)| 0.2133259E-15 GRAD(Rho)x 0.1911923E-15 GRAD(Rho)y 0.1267500E-16 GRAD(Rho)z 0.9376994E-16 Laplacian 0.3798105E+00 (-1/4)Del**2(Rho)) -0.9495262E-01 Diamond 0.4530094E+00 Metallicity 0.3707404E+01 Ellipticity 0.1298966E-01 Gb(Abramov) 0.1219730E+00 Vb(Abramov) -0.1489934E+00 Hb(Abramov) -0.2702041E-01 Ex_ueg -0.3286023E-01 Ec_ueg -0.5136176E-02 Delta_ex -0.3671269E-01 Delta_ec 0.1061351E-01 Delta_et -0.1309453E+00 Pxc 0.6397802E+01 Qxc -0.3459053E+01 3,-1 127 3 -1 -1.899449 2.733956 -0.498518 Rho 0.8977956E-01 |GRAD(Rho)| 0.2194611E-15 GRAD(Rho)x -0.9006671E-16 GRAD(Rho)y 0.9739862E-16 GRAD(Rho)z 0.1748276E-15 Laplacian 0.3698884E+00 (-1/4)Del**2(Rho)) -0.9247211E-01 Diamond 0.4066790E+00 Metallicity 0.3353550E+01 Ellipticity 0.7382227E-02 Gb(Abramov) 0.1133330E+00 Vb(Abramov) -0.1341940E+00 Hb(Abramov) -0.2086094E-01 Ex_ueg -0.2969078E-01 Ec_ueg -0.4710211E-02 Delta_ex -0.3521463E-01 Delta_ec 0.1065716E-01 Delta_et -0.1295896E+00 Pxc 0.6303493E+01 Qxc -0.3304318E+01 3,-1 128 3 +1 0.037699 -2.972834 0.123000 Rho 0.4828107E-02 |GRAD(Rho)| 0.5056110E-17 GRAD(Rho)x 0.3089976E-17 GRAD(Rho)y 0.1423015E-17 GRAD(Rho)z -0.3740497E-17 Laplacian 0.1941090E-01 (-1/4)Del**2(Rho)) -0.4852724E-02 Diamond 0.4083670E-03 Metallicity 0.4896237E+00 Ellipticity -0.2349979E+01 Gb(Abramov) 0.3631151E-02 Vb(Abramov) -0.2409578E-02 Hb(Abramov) 0.1221573E-02 Ex_ueg -0.6026811E-03 Ec_ueg -0.1395231E-03 Delta_ex -0.9357489E-03 Delta_ec 0.5704072E-03 Delta_et -0.3081971E-02 Pxc 0.4319581E+01 Qxc -0.1640493E+01 3,+1 129 3 +1 1.945747 -2.027654 2.022719 Rho 0.1184380E-01 |GRAD(Rho)| 0.1090076E-15 GRAD(Rho)x -0.5207782E-16 GRAD(Rho)y 0.6805409E-16 GRAD(Rho)z -0.6737354E-16 Laplacian 0.5204338E-01 (-1/4)Del**2(Rho)) -0.1301085E-01 Diamond 0.1534912E-02 Metallicity 0.8148286E+00 Ellipticity -0.1092277E+01 Gb(Abramov) 0.1044083E-01 Vb(Abramov) -0.7870818E-02 Hb(Abramov) 0.2570014E-02 Ex_ueg -0.1993915E-02 Ec_ueg -0.4523632E-03 Delta_ex -0.2398382E-02 Delta_ec 0.4059997E-03 Delta_et -0.3243130E-02 Pxc 0.4407774E+01 Qxc -0.5907350E+01 3,+1 130 3 -1 -0.605514 -2.826464 1.816237 Rho 0.1685642E+00 |GRAD(Rho)| 0.3018218E-15 GRAD(Rho)x 0.1915785E-15 GRAD(Rho)y -0.2330154E-15 GRAD(Rho)z 0.9893345E-17 Laplacian 0.6950545E+00 (-1/4)Del**2(Rho)) -0.1737636E+00 Diamond 0.1595687E+01 Metallicity 0.5099604E+01 Ellipticity 0.4467884E-01 Gb(Abramov) 0.2635300E+00 Vb(Abramov) -0.3532964E+00 Hb(Abramov) -0.8976639E-01 Ex_ueg -0.6877101E-01 Ec_ueg -0.9642294E-02 Delta_ex -0.7662038E-01 Delta_ec 0.1674612E-01 Delta_et -0.2252722E+00 Pxc 0.7132225E+01 Qxc -0.4575411E+01 3,-1 131 3 +1 -0.227319 -2.239747 -1.073113 Rho 0.7203512E-02 |GRAD(Rho)| 0.3346743E-14 GRAD(Rho)x 0.2087710E-14 GRAD(Rho)y -0.2605206E-14 GRAD(Rho)z -0.2346518E-15 Laplacian 0.2792884E-01 (-1/4)Del**2(Rho)) -0.6982209E-02 Diamond 0.8370000E-03 Metallicity 0.6629296E+00 Ellipticity -0.2039224E+01 Gb(Abramov) 0.5426258E-02 Vb(Abramov) -0.3870307E-02 Hb(Abramov) 0.1555951E-02 Ex_ueg -0.1027490E-02 Ec_ueg -0.2429375E-03 Delta_ex -0.1362910E-02 Delta_ec 0.6474818E-03 Delta_et -0.4010553E-02 Pxc 0.4229440E+01 Qxc -0.2104939E+01 3,+1 132 3 +1 1.300805 -2.237141 1.084397 Rho 0.2610714E-01 |GRAD(Rho)| 0.9696520E-16 GRAD(Rho)x -0.2410579E-16 GRAD(Rho)y 0.9305224E-16 GRAD(Rho)z -0.1274530E-16 Laplacian 0.9946709E-01 (-1/4)Del**2(Rho)) -0.2486677E-01 Diamond 0.1310492E-01 Metallicity 0.1591717E+01 Ellipticity -0.3338717E+01 Gb(Abramov) 0.2317466E-01 Vb(Abramov) -0.2148254E-01 Hb(Abramov) 0.1692114E-02 Ex_ueg -0.5720018E-02 Ec_ueg -0.1144617E-02 Delta_ex -0.6186258E-02 Delta_ec 0.1559021E-02 Delta_et -0.1393374E-01 Pxc 0.4997321E+01 Qxc -0.3968041E+01 3,+1 133 3 -1 -0.533037 1.784048 -2.686017 Rho 0.1290708E+00 |GRAD(Rho)| 0.6399659E-14 GRAD(Rho)x 0.6091895E-14 GRAD(Rho)y 0.9393257E-16 GRAD(Rho)z -0.1958476E-14 Laplacian 0.5411386E+00 (-1/4)Del**2(Rho)) -0.1352846E+00 Diamond 0.9121492E+00 Metallicity 0.4197765E+01 Ellipticity 0.8118816E-02 Gb(Abramov) 0.1848386E+00 Vb(Abramov) -0.2343926E+00 Hb(Abramov) -0.4955396E-01 Ex_ueg -0.4817508E-01 Ec_ueg -0.7117531E-02 Delta_ex -0.5598585E-01 Delta_ec 0.1416857E-01 Delta_et -0.1842319E+00 Pxc 0.6768510E+01 Qxc -0.3951411E+01 3,-1 134 3 -1 1.743273 0.499448 2.751900 Rho 0.1224433E+00 |GRAD(Rho)| 0.9904074E-16 GRAD(Rho)x -0.9011753E-16 GRAD(Rho)y -0.3232278E-16 GRAD(Rho)z 0.2536017E-16 Laplacian 0.5099570E+00 (-1/4)Del**2(Rho)) -0.1274892E+00 Diamond 0.8017007E+00 Metallicity 0.4079793E+01 Ellipticity 0.1245472E-01 Gb(Abramov) 0.1716811E+00 Vb(Abramov) -0.2158730E+00 Hb(Abramov) -0.4419188E-01 Ex_ueg -0.4490540E-01 Ec_ueg -0.6703605E-02 Delta_ex -0.5202901E-01 Delta_ec 0.1340080E-01 Delta_et -0.1725238E+00 Pxc 0.6698694E+01 Qxc -0.3882529E+01 3,-1 135 3 -1 1.694785 0.553567 -1.787702 Rho 0.3846200E-01 |GRAD(Rho)| 0.6474809E-15 GRAD(Rho)x -0.3131157E-15 GRAD(Rho)y 0.4829380E-15 GRAD(Rho)z -0.2965822E-15 Laplacian 0.1477793E+00 (-1/4)Del**2(Rho)) -0.3694482E-01 Diamond 0.5222536E-01 Metallicity 0.2043554E+01 Ellipticity 0.1617905E-01 Gb(Abramov) 0.3721300E-01 Vb(Abramov) -0.3748118E-01 Hb(Abramov) -0.2681799E-03 Ex_ueg -0.9588725E-02 Ec_ueg -0.1787802E-02 Delta_ex -0.1138067E-01 Delta_ec 0.4387965E-02 Delta_et -0.4314706E-01 Pxc 0.5363417E+01 Qxc -0.2593611E+01 3,-1 136 3 +1 1.164876 1.274900 -2.211276 Rho 0.2428005E-01 |GRAD(Rho)| 0.2203818E-14 GRAD(Rho)x -0.6640181E-15 GRAD(Rho)y 0.1877804E-14 GRAD(Rho)z -0.9432636E-15 Laplacian 0.9186503E-01 (-1/4)Del**2(Rho)) -0.2296626E-01 Diamond 0.1161044E-01 Metallicity 0.1527140E+01 Ellipticity -0.4146409E+01 Gb(Abramov) 0.2115629E-01 Vb(Abramov) -0.1934632E-01 Hb(Abramov) 0.1809970E-02 Ex_ueg -0.5192596E-02 Ec_ueg -0.1052535E-02 Delta_ex -0.5676942E-02 Delta_ec 0.1572826E-02 Delta_et -0.1378101E-01 Pxc 0.4933421E+01 Qxc -0.3609390E+01 3,+1 137 3 +1 1.732281 1.779555 1.698983 Rho 0.1194965E-01 |GRAD(Rho)| 0.2624518E-16 GRAD(Rho)x -0.2217482E-16 GRAD(Rho)y 0.6584905E-17 GRAD(Rho)z 0.1239862E-16 Laplacian 0.5881085E-01 (-1/4)Del**2(Rho)) -0.1470271E-01 Diamond 0.2331103E-02 Metallicity 0.7318375E+00 Ellipticity -0.1267630E+01 Gb(Abramov) 0.1159514E-01 Vb(Abramov) -0.8487569E-02 Hb(Abramov) 0.3107571E-02 Ex_ueg -0.2017711E-02 Ec_ueg -0.4572454E-03 Delta_ex -0.2884148E-02 Delta_ec 0.7571849E-03 Delta_et -0.5676548E-02 Pxc 0.4412752E+01 Qxc -0.3809040E+01 3,+1 138 3 -1 2.783875 -0.499436 -1.870284 Rho 0.9558987E-01 |GRAD(Rho)| 0.1980040E-15 GRAD(Rho)x -0.1173479E-16 GRAD(Rho)y -0.1823493E-15 GRAD(Rho)z 0.7626685E-16 Laplacian 0.3851588E+00 (-1/4)Del**2(Rho)) -0.9628969E-01 Diamond 0.4527594E+00 Metallicity 0.3575415E+01 Ellipticity 0.1557840E-01 Gb(Abramov) 0.1215724E+00 Vb(Abramov) -0.1468551E+00 Hb(Abramov) -0.2528271E-01 Ex_ueg -0.3228005E-01 Ec_ueg -0.5058685E-02 Delta_ex -0.3712757E-01 Delta_ec 0.1081780E-01 Delta_et -0.1331318E+00 Pxc 0.6381115E+01 Qxc -0.3432081E+01 3,-1 139 3 -1 1.831586 2.753893 0.534205 Rho 0.1314447E+00 |GRAD(Rho)| 0.7594757E-14 GRAD(Rho)x 0.6364429E-14 GRAD(Rho)y 0.1301585E-15 GRAD(Rho)z -0.4142154E-14 Laplacian 0.5444510E+00 (-1/4)Del**2(Rho)) -0.1361127E+00 Diamond 0.9364380E+00 Metallicity 0.4300903E+01 Ellipticity 0.1236889E-01 Gb(Abramov) 0.1883098E+00 Vb(Abramov) -0.2405068E+00 Hb(Abramov) -0.5219703E-01 Ex_ueg -0.4936009E-01 Ec_ueg -0.7266513E-02 Delta_ex -0.5655776E-01 Delta_ec 0.1415898E-01 Delta_et -0.1845827E+00 Pxc 0.6792816E+01 Qxc -0.3994481E+01 3,-1 140 3 -1 3.213823 0.026907 -3.282696 Rho 0.2264889E+00 |GRAD(Rho)| 0.9055731E-15 GRAD(Rho)x -0.5138576E-15 GRAD(Rho)y 0.8750867E-16 GRAD(Rho)z 0.7405101E-15 Laplacian 0.8259582E+00 (-1/4)Del**2(Rho)) -0.2064895E+00 Diamond 0.2728696E+01 Metallicity 0.7021014E+01 Ellipticity 0.2203653E-02 Gb(Abramov) 0.3792874E+00 Vb(Abramov) -0.5520852E+00 Hb(Abramov) -0.1727978E+00 Ex_ueg -0.1019642E+00 Ec_ueg -0.1351013E-01 Delta_ex -0.9832310E-01 Delta_ec 0.1860173E-01 Delta_et -0.2572239E+00 Pxc 0.7547237E+01 Qxc -0.5285696E+01 3,-1 141 3 -1 -3.303406 3.092234 0.004777 Rho 0.2209079E+00 |GRAD(Rho)| 0.6696727E-15 GRAD(Rho)x 0.2986435E-15 GRAD(Rho)y -0.5672546E-15 GRAD(Rho)z 0.1936385E-15 Laplacian 0.8197234E+00 (-1/4)Del**2(Rho)) -0.2049308E+00 Diamond 0.2614769E+01 Metallicity 0.6786273E+01 Ellipticity 0.1182687E-01 Gb(Abramov) 0.3684067E+00 Vb(Abramov) -0.5318825E+00 Hb(Abramov) -0.1634758E+00 Ex_ueg -0.9862797E-01 Ec_ueg -0.1312933E-01 Delta_ex -0.9687363E-01 Delta_ec 0.1845312E-01 Delta_et -0.2542724E+00 Pxc 0.7512036E+01 Qxc -0.5249714E+01 3,-1 142 3 -1 -0.451665 0.382854 0.389386 Rho 0.1352370E+00 |GRAD(Rho)| 0.9644580E-16 GRAD(Rho)x -0.1708551E-16 GRAD(Rho)y -0.3375435E-16 GRAD(Rho)z -0.8871596E-16 Laplacian 0.6982515E+00 (-1/4)Del**2(Rho)) -0.1745629E+00 Diamond 0.1501807E+01 Metallicity 0.3516363E+01 Ellipticity 0.3426146E-02 Gb(Abramov) 0.2186797E+00 Vb(Abramov) -0.2627965E+00 Hb(Abramov) -0.4411680E-01 Ex_ueg -0.5126792E-01 Ec_ueg -0.7505276E-02 Delta_ex -0.7599945E-01 Delta_ec 0.2332503E-01 Delta_et -0.3159821E+00 Pxc 0.6830918E+01 Qxc -0.3258279E+01 3,-1 143 3 -1 -0.111949 0.096588 2.920220 Rho 0.5730859E-02 |GRAD(Rho)| 0.2125389E-15 GRAD(Rho)x -0.1336281E-15 GRAD(Rho)y 0.1494438E-15 GRAD(Rho)z 0.7058925E-16 Laplacian 0.2332213E-01 (-1/4)Del**2(Rho)) -0.5830533E-02 Diamond 0.7170279E-03 Metallicity 0.5422645E+00 Ellipticity 0.1364445E+02 Gb(Abramov) 0.4413970E-02 Vb(Abramov) -0.2997408E-02 Hb(Abramov) 0.1416563E-02 Ex_ueg -0.7574339E-03 Ec_ueg -0.1784990E-03 Delta_ex -0.1240055E-02 Delta_ec 0.8223320E-03 Delta_et -0.4617527E-02 Pxc 0.4243351E+01 Qxc -0.1507973E+01 3,-1 144 3 -1 0.186006 -1.192052 -1.894249 Rho 0.6377343E-02 |GRAD(Rho)| 0.4101070E-17 GRAD(Rho)x -0.3938915E-17 GRAD(Rho)y -0.9630765E-18 GRAD(Rho)z 0.6133577E-18 Laplacian 0.2485469E-01 (-1/4)Del**2(Rho)) -0.6213673E-02 Diamond 0.9618641E-03 Metallicity 0.6080477E+00 Ellipticity 0.6175824E+00 Gb(Abramov) 0.4772151E-02 Vb(Abramov) -0.3330628E-02 Hb(Abramov) 0.1441523E-02 Ex_ueg -0.8734500E-03 Ec_ueg -0.2066586E-03 Delta_ex -0.1402176E-02 Delta_ec 0.9717560E-03 Delta_et -0.5602672E-02 Pxc 0.4226535E+01 Qxc -0.1442931E+01 3,-1 145 3 +1 1.378799 2.139382 -1.073992 Rho 0.2701193E-01 |GRAD(Rho)| 0.3270334E-16 GRAD(Rho)x 0.2636426E-16 GRAD(Rho)y 0.1860771E-16 GRAD(Rho)z 0.5309158E-17 Laplacian 0.1034300E+00 (-1/4)Del**2(Rho)) -0.2585750E-01 Diamond 0.1370410E-01 Metallicity 0.1620165E+01 Ellipticity -0.2922105E+01 Gb(Abramov) 0.2422057E-01 Vb(Abramov) -0.2258364E-01 Hb(Abramov) 0.1636929E-02 Ex_ueg -0.5985850E-02 Ec_ueg -0.1190536E-02 Delta_ex -0.6435756E-02 Delta_ec 0.1519913E-02 Delta_et -0.1371248E-01 Pxc 0.5027863E+01 Qxc -0.4234293E+01 3,+1 146 3 -1 0.832375 2.002465 -2.944044 Rho 0.8128115E-01 |GRAD(Rho)| 0.2108912E-15 GRAD(Rho)x 0.1641211E-15 GRAD(Rho)y -0.9566898E-16 GRAD(Rho)z -0.9157951E-16 Laplacian 0.3187737E+00 (-1/4)Del**2(Rho)) -0.7969344E-01 Diamond 0.3064289E+00 Metallicity 0.3296960E+01 Ellipticity 0.1490612E-01 Gb(Abramov) 0.9691997E-01 Vb(Abramov) -0.1141465E+00 Hb(Abramov) -0.1722653E-01 Ex_ueg -0.2600388E-01 Ec_ueg -0.4205859E-02 Delta_ex -0.2957257E-01 Delta_ec 0.9204104E-02 Delta_et -0.1093766E+00 Pxc 0.6182775E+01 Qxc -0.3212977E+01 3,-1 147 3 +3 1.945471 1.898621 -1.965755 Rho 0.1180015E-01 |GRAD(Rho)| 0.8248145E-17 GRAD(Rho)x 0.5295519E-17 GRAD(Rho)y 0.2378055E-17 GRAD(Rho)z -0.5859542E-17 Laplacian 0.5223570E-01 (-1/4)Del**2(Rho)) -0.1305893E-01 Diamond 0.1252379E-02 Metallicity 0.8068475E+00 Ellipticity -0.8731161E+00 Gb(Abramov) 0.1046204E-01 Vb(Abramov) -0.7865162E-02 Hb(Abramov) 0.2596882E-02 Ex_ueg -0.1984122E-02 Ec_ueg -0.4503510E-03 Delta_ex -0.2321906E-02 Delta_ec 0.2595779E-03 Delta_et -0.2262825E-02 Pxc 0.4405723E+01 Qxc -0.8944931E+01 3,+3 148 3 -1 2.000092 0.888744 -3.093002 Rho 0.1756454E+00 |GRAD(Rho)| 0.3012389E-13 GRAD(Rho)x 0.1097700E-13 GRAD(Rho)y -0.2688618E-13 GRAD(Rho)z 0.8005451E-14 Laplacian 0.6755626E+00 (-1/4)Del**2(Rho)) -0.1688907E+00 Diamond 0.1646425E+01 Metallicity 0.5619215E+01 Ellipticity 0.7948105E-01 Gb(Abramov) 0.2707659E+00 Vb(Abramov) -0.3726412E+00 Hb(Abramov) -0.1018753E+00 Ex_ueg -0.7264977E-01 Ec_ueg -0.1010494E-01 Delta_ex -0.7538226E-01 Delta_ec 0.1634558E-01 Delta_et -0.2215773E+00 Pxc 0.7189533E+01 Qxc -0.4611784E+01 3,-1 149 3 -1 2.789649 1.746970 0.586590 Rho 0.1646539E+00 |GRAD(Rho)| 0.2380670E-15 GRAD(Rho)x -0.9257731E-16 GRAD(Rho)y 0.1140852E-15 GRAD(Rho)z -0.1873230E-15 Laplacian 0.6935991E+00 (-1/4)Del**2(Rho)) -0.1733998E+00 Diamond 0.1540454E+01 Metallicity 0.4914259E+01 Ellipticity 0.4034921E-01 Gb(Abramov) 0.2576218E+00 Vb(Abramov) -0.3418437E+00 Hb(Abramov) -0.8422197E-01 Ex_ueg -0.6665219E-01 Ec_ueg -0.9388081E-02 Delta_ex -0.7594497E-01 Delta_ec 0.1669316E-01 Delta_et -0.2236371E+00 Pxc 0.7099661E+01 Qxc -0.4549468E+01 3,-1 150 3 -1 3.024865 1.918548 -0.849276 Rho 0.1337083E+00 |GRAD(Rho)| 0.1831677E-15 GRAD(Rho)x 0.1481766E-15 GRAD(Rho)y -0.7636849E-16 GRAD(Rho)z -0.7590770E-16 Laplacian 0.5242214E+00 (-1/4)Del**2(Rho)) -0.1310553E+00 Diamond 0.9236355E+00 Metallicity 0.4595814E+01 Ellipticity 0.5597170E-01 Gb(Abramov) 0.1877546E+00 Vb(Abramov) -0.2444538E+00 Hb(Abramov) -0.5669921E-01 Ex_ueg -0.5049669E-01 Ec_ueg -0.7408916E-02 Delta_ex -0.5472027E-01 Delta_ec 0.1364542E-01 Delta_et -0.1785016E+00 Pxc 0.6815665E+01 Qxc -0.4010156E+01 3,-1 151 3 +1 -0.308434 -1.074770 -2.595133 Rho 0.4339157E-02 |GRAD(Rho)| 0.4907052E-17 GRAD(Rho)x 0.8091018E-18 GRAD(Rho)y -0.2353693E-17 GRAD(Rho)z -0.4229024E-17 Laplacian 0.1720187E-01 (-1/4)Del**2(Rho)) -0.4300466E-02 Diamond 0.2190761E-03 Metallicity 0.4624305E+00 Ellipticity -0.1319974E+01 Gb(Abramov) 0.3198422E-02 Vb(Abramov) -0.2096378E-02 Hb(Abramov) 0.1102044E-02 Ex_ueg -0.5227076E-03 Ec_ueg -0.1185858E-03 Delta_ex -0.7062356E-03 Delta_ec 0.3163604E-03 Delta_et -0.1738686E-02 Pxc 0.4407843E+01 Qxc -0.2232377E+01 3,+1 152 3 -1 -2.825530 -1.718112 0.564196 Rho 0.1437954E+00 |GRAD(Rho)| 0.2576118E-13 GRAD(Rho)x -0.1189346E-14 GRAD(Rho)y -0.1781488E-13 GRAD(Rho)z -0.1857024E-13 Laplacian 0.5908801E+00 (-1/4)Del**2(Rho)) -0.1477200E+00 Diamond 0.1122468E+01 Metallicity 0.4602800E+01 Ellipticity 0.2532535E-01 Gb(Abramov) 0.2118010E+00 Vb(Abramov) -0.2758819E+00 Hb(Abramov) -0.6408094E-01 Ex_ueg -0.5563888E-01 Ec_ueg -0.8047521E-02 Delta_ex -0.6263572E-01 Delta_ec 0.1485361E-01 Delta_et -0.1959015E+00 Pxc 0.6913791E+01 Qxc -0.4216869E+01 3,-1 153 3 -1 -2.871878 1.750039 -0.508669 Rho 0.1984938E+00 |GRAD(Rho)| 0.8258169E-15 GRAD(Rho)x -0.2133168E-16 GRAD(Rho)y -0.5488231E-15 GRAD(Rho)z -0.6166942E-15 Laplacian 0.7828340E+00 (-1/4)Del**2(Rho)) -0.1957085E+00 Diamond 0.2175908E+01 Metallicity 0.5945498E+01 Ellipticity 0.3012932E-01 Gb(Abramov) 0.3244031E+00 Vb(Abramov) -0.4530977E+00 Hb(Abramov) -0.1286946E+00 Ex_ueg -0.8551604E-01 Ec_ueg -0.1161728E-01 Delta_ex -0.8986696E-01 Delta_ec 0.1791690E-01 Delta_et -0.2442991E+00 Pxc 0.7361106E+01 Qxc -0.5015765E+01 3,-1 154 3 -1 -0.188865 -1.349173 -3.393760 Rho 0.6614962E-02 |GRAD(Rho)| 0.1900314E-16 GRAD(Rho)x 0.1888435E-16 GRAD(Rho)y 0.1697930E-17 GRAD(Rho)z 0.1271979E-17 Laplacian 0.2647658E-01 (-1/4)Del**2(Rho)) -0.6619146E-02 Diamond 0.1294553E-02 Metallicity 0.6066854E+00 Ellipticity 0.1292466E+00 Gb(Abramov) 0.5082054E-02 Vb(Abramov) -0.3544962E-02 Hb(Abramov) 0.1537092E-02 Ex_ueg -0.9171103E-03 Ec_ueg -0.2170598E-03 Delta_ex -0.1643390E-02 Delta_ec 0.1284316E-02 Delta_et -0.7410074E-02 Pxc 0.4225150E+01 Qxc -0.1279584E+01 3,-1 155 3 -1 -0.544599 -1.866957 2.777307 Rho 0.9768059E-01 |GRAD(Rho)| 0.2774131E-15 GRAD(Rho)x 0.9232320E-16 GRAD(Rho)y -0.2515349E-15 GRAD(Rho)z 0.7186566E-16 Laplacian 0.4030228E+00 (-1/4)Del**2(Rho)) -0.1007557E+00 Diamond 0.4896892E+00 Metallicity 0.3542398E+01 Ellipticity 0.9741307E-02 Gb(Abramov) 0.1266566E+00 Vb(Abramov) -0.1525575E+00 Hb(Abramov) -0.2590089E-01 Ex_ueg -0.3322483E-01 Ec_ueg -0.5184766E-02 Delta_ex -0.3910492E-01 Delta_ec 0.1137310E-01 Delta_et -0.1407055E+00 Pxc 0.6408164E+01 Qxc -0.3438371E+01 3,-1 156 3 -1 -0.069399 -3.278437 3.144591 Rho 0.2253128E+00 |GRAD(Rho)| 0.8520079E-14 GRAD(Rho)x -0.4664062E-14 GRAD(Rho)y 0.2162983E-14 GRAD(Rho)z 0.6794099E-14 Laplacian 0.8332033E+00 (-1/4)Del**2(Rho)) -0.2083008E+00 Diamond 0.2727202E+01 Metallicity 0.6899834E+01 Ellipticity 0.3216814E-02 Gb(Abramov) 0.3784074E+00 Vb(Abramov) -0.5485139E+00 Hb(Abramov) -0.1701066E+00 Ex_ueg -0.1012588E+00 Ec_ueg -0.1342974E-01 Delta_ex -0.9900405E-01 Delta_ec 0.1870783E-01 Delta_et -0.2582764E+00 Pxc 0.7539894E+01 Qxc -0.5292117E+01 3,-1 157 3 -1 -0.019903 -3.275220 -1.183162 Rho 0.3466221E-01 |GRAD(Rho)| 0.7634513E-16 GRAD(Rho)x -0.6920934E-16 GRAD(Rho)y -0.3196152E-16 GRAD(Rho)z 0.4136196E-17 Laplacian 0.1075163E+00 (-1/4)Del**2(Rho)) -0.2687907E-01 Diamond 0.5205681E-01 Metallicity 0.2361743E+01 Ellipticity 0.7272919E-02 Gb(Abramov) 0.2849962E-01 Vb(Abramov) -0.3012018E-01 Hb(Abramov) -0.1620554E-02 Ex_ueg -0.8346929E-02 Ec_ueg -0.1586503E-02 Delta_ex -0.9410352E-02 Delta_ec 0.5586482E-02 Delta_et -0.5346018E-01 Pxc 0.5261213E+01 Qxc -0.1684486E+01 3,-1 158 3 -1 0.049289 -1.979755 -1.041264 Rho 0.7518420E-02 |GRAD(Rho)| 0.1946724E-15 GRAD(Rho)x -0.1430734E-15 GRAD(Rho)y -0.1218203E-16 GRAD(Rho)z 0.1314493E-15 Laplacian 0.2843897E-01 (-1/4)Del**2(Rho)) -0.7109742E-02 Diamond 0.1274490E-02 Metallicity 0.6991606E+00 Ellipticity 0.6703949E+00 Gb(Abramov) 0.5568303E-02 Vb(Abramov) -0.4026865E-02 Hb(Abramov) 0.1541439E-02 Ex_ueg -0.1087812E-02 Ec_ueg -0.2568502E-03 Delta_ex -0.1601356E-02 Delta_ec 0.1016775E-02 Delta_et -0.6192662E-02 Pxc 0.4235199E+01 Qxc -0.1574936E+01 3,-1 159 3 -1 1.902801 -0.919017 3.063174 Rho 0.1551864E+00 |GRAD(Rho)| 0.8160081E-15 GRAD(Rho)x 0.6032636E-15 GRAD(Rho)y 0.4908590E-15 GRAD(Rho)z -0.2469813E-15 Laplacian 0.6002530E+00 (-1/4)Del**2(Rho)) -0.1500632E+00 Diamond 0.1264849E+01 Metallicity 0.5144796E+01 Ellipticity 0.6440027E-01 Gb(Abramov) 0.2287163E+00 Vb(Abramov) -0.3073694E+00 Hb(Abramov) -0.7865306E-01 Ex_ueg -0.6159184E-01 Ec_ueg -0.8776340E-02 Delta_ex -0.6498218E-01 Delta_ec 0.1506283E-01 Delta_et -0.2013535E+00 Pxc 0.7017942E+01 Qxc -0.4314074E+01 3,-1 160 3 -1 0.864044 -3.074845 1.985336 Rho 0.1687176E+00 |GRAD(Rho)| 0.5256543E-15 GRAD(Rho)x -0.3833197E-15 GRAD(Rho)y 0.2584467E-16 GRAD(Rho)z 0.3587625E-15 Laplacian 0.6426640E+00 (-1/4)Del**2(Rho)) -0.1606660E+00 Diamond 0.1494336E+01 Metallicity 0.5523695E+01 Ellipticity 0.7504572E-01 Gb(Abramov) 0.2550224E+00 Vb(Abramov) -0.3493787E+00 Hb(Abramov) -0.9435635E-01 Ex_ueg -0.6885447E-01 Ec_ueg -0.9652286E-02 Delta_ex -0.7100862E-01 Delta_ec 0.1574342E-01 Delta_et -0.2125394E+00 Pxc 0.7133489E+01 Qxc -0.4510369E+01 3,-1 161 3 -1 2.910145 -1.960796 0.806477 Rho 0.8372089E-01 |GRAD(Rho)| 0.2997253E-16 GRAD(Rho)x -0.1659676E-16 GRAD(Rho)y -0.1573448E-16 GRAD(Rho)z 0.1937334E-16 Laplacian 0.3306825E+00 (-1/4)Del**2(Rho)) -0.8267062E-01 Diamond 0.3307864E+00 Metallicity 0.3338810E+01 Ellipticity 0.9319139E-02 Gb(Abramov) 0.1011173E+00 Vb(Abramov) -0.1195640E+00 Hb(Abramov) -0.1844671E-01 Ex_ueg -0.2704977E-01 Ec_ueg -0.4349975E-02 Delta_ex -0.3091296E-01 Delta_ec 0.9540193E-02 Delta_et -0.1141537E+00 Pxc 0.6218373E+01 Qxc -0.3240287E+01 3,-1 162 3 -1 1.955493 -2.983388 0.801995 Rho 0.8993865E-01 |GRAD(Rho)| 0.3944442E-15 GRAD(Rho)x 0.1325928E-15 GRAD(Rho)y 0.1477005E-15 GRAD(Rho)z -0.3408664E-15 Laplacian 0.3519963E+00 (-1/4)Del**2(Rho)) -0.8799908E-01 Diamond 0.3868992E+00 Metallicity 0.3534426E+01 Ellipticity 0.1879091E-01 Gb(Abramov) 0.1105038E+00 Vb(Abramov) -0.1330085E+00 Hb(Abramov) -0.2250468E-01 Ex_ueg -0.2976095E-01 Ec_ueg -0.4719714E-02 Delta_ex -0.3350636E-01 Delta_ec 0.1010487E-01 Delta_et -0.1228869E+00 Pxc 0.6305669E+01 Qxc -0.3315864E+01 3,-1 163 3 -1 1.745354 -2.802585 -0.632202 Rho 0.1963161E+00 |GRAD(Rho)| 0.8100384E-13 GRAD(Rho)x -0.5118819E-13 GRAD(Rho)y -0.6095554E-13 GRAD(Rho)z 0.1502707E-13 Laplacian 0.7551107E+00 (-1/4)Del**2(Rho)) -0.1887777E+00 Diamond 0.2085163E+01 Metallicity 0.6051491E+01 Ellipticity 0.2836377E-02 Gb(Abramov) 0.3162495E+00 Vb(Abramov) -0.4437214E+00 Hb(Abramov) -0.1274719E+00 Ex_ueg -0.8426741E-01 Ec_ueg -0.1147187E-01 Delta_ex -0.8653706E-01 Delta_ec 0.1750843E-01 Delta_et -0.2391312E+00 Pxc 0.7345570E+01 Qxc -0.4942594E+01 3,-1 164 3 +3 1.887026 -1.972009 1.956929 Rho 0.1183038E-01 |GRAD(Rho)| 0.3032791E-16 GRAD(Rho)x -0.4337507E-17 GRAD(Rho)y 0.2756440E-16 GRAD(Rho)z -0.1188159E-16 Laplacian 0.5141913E-01 (-1/4)Del**2(Rho)) -0.1285478E-01 Diamond 0.1282333E-02 Metallicity 0.8231634E+00 Ellipticity -0.8812156E+00 Gb(Abramov) 0.1033345E-01 Vb(Abramov) -0.7812124E-02 Hb(Abramov) 0.2521330E-02 Ex_ueg -0.1990902E-02 Ec_ueg -0.4517443E-03 Delta_ex -0.2300596E-02 Delta_ec 0.2792478E-03 Delta_et -0.2387153E-02 Pxc 0.4407143E+01 Qxc -0.8238546E+01 3,+3 165 3 -1 1.890005 -0.573577 -2.866564 Rho 0.1434825E+00 |GRAD(Rho)| 0.6671583E-14 GRAD(Rho)x 0.4158186E-14 GRAD(Rho)y 0.5192705E-14 GRAD(Rho)z -0.5052890E-15 Laplacian 0.5440448E+00 (-1/4)Del**2(Rho)) -0.1360112E+00 Diamond 0.1058255E+01 Metallicity 0.4980928E+01 Ellipticity 0.1171609E+00 Gb(Abramov) 0.2035845E+00 Vb(Abramov) -0.2711577E+00 Hb(Abramov) -0.6757326E-01 Ex_ueg -0.5547753E-01 Ec_ueg -0.8027617E-02 Delta_ex -0.5793038E-01 Delta_ec 0.1420179E-01 Delta_et -0.1883892E+00 Pxc 0.6910835E+01 Qxc -0.4079090E+01 3,-1 166 3 +1 1.838679 -1.768198 -1.736966 Rho 0.1420671E-01 |GRAD(Rho)| 0.1045402E-16 GRAD(Rho)x -0.1082567E-17 GRAD(Rho)y 0.3493527E-18 GRAD(Rho)z -0.1039195E-16 Laplacian 0.6455321E-01 (-1/4)Del**2(Rho)) -0.1613830E-01 Diamond 0.3366083E-02 Metallicity 0.8895791E+00 Ellipticity -0.1461461E+01 Gb(Abramov) 0.1315158E-01 Vb(Abramov) -0.1016487E-01 Hb(Abramov) 0.2986718E-02 Ex_ueg -0.2541225E-02 Ec_ueg -0.5623733E-03 Delta_ex -0.3342663E-02 Delta_ec 0.8810107E-03 Delta_et -0.6852298E-02 Pxc 0.4518751E+01 Qxc -0.3794123E+01 3,+1 167 3 -1 3.232120 3.089822 0.066310 Rho 0.2263953E+00 |GRAD(Rho)| 0.1898633E-13 GRAD(Rho)x -0.1412515E-13 GRAD(Rho)y -0.1089103E-13 GRAD(Rho)z -0.6507422E-14 Laplacian 0.8341412E+00 (-1/4)Del**2(Rho)) -0.2085353E+00 Diamond 0.2750086E+01 Metallicity 0.6947354E+01 Ellipticity 0.4227581E-02 Gb(Abramov) 0.3804849E+00 Vb(Abramov) -0.5524346E+00 Hb(Abramov) -0.1719497E+00 Ex_ueg -0.1019080E+00 Ec_ueg -0.1350373E-01 Delta_ex -0.9926198E-01 Delta_ec 0.1874435E-01 Delta_et -0.2590111E+00 Pxc 0.7546655E+01 Qxc -0.5295570E+01 3,-1 168 3 -1 0.082702 3.224954 3.105051 Rho 0.2243999E+00 |GRAD(Rho)| 0.1992419E-15 GRAD(Rho)x -0.4475044E-16 GRAD(Rho)y 0.1480478E-15 GRAD(Rho)z 0.1256048E-15 Laplacian 0.8349178E+00 (-1/4)Del**2(Rho)) -0.2087294E+00 Diamond 0.2716388E+01 Metallicity 0.6839230E+01 Ellipticity 0.5874909E-02 Gb(Abramov) 0.3770777E+00 Vb(Abramov) -0.5454261E+00 Hb(Abramov) -0.1683483E+00 Ex_ueg -0.1007122E+00 Ec_ueg -0.1336739E-01 Delta_ex -0.9908526E-01 Delta_ec 0.1873592E-01 Delta_et -0.2584802E+00 Pxc 0.7534167E+01 Qxc -0.5288518E+01 3,-1 169 3 -1 -3.103091 1.931183 0.948867 Rho 0.1573769E+00 |GRAD(Rho)| 0.2275995E-15 GRAD(Rho)x 0.2921925E-16 GRAD(Rho)y 0.5736785E-16 GRAD(Rho)z -0.2183041E-15 Laplacian 0.5959384E+00 (-1/4)Del**2(Rho)) -0.1489846E+00 Diamond 0.1285024E+01 Metallicity 0.5304527E+01 Ellipticity 0.5975805E-01 Gb(Abramov) 0.2310385E+00 Vb(Abramov) -0.3130925E+00 Hb(Abramov) -0.8205393E-01 Ex_ueg -0.6275374E-01 Ec_ueg -0.8917400E-02 Delta_ex -0.6481335E-01 Delta_ec 0.1503448E-01 Delta_et -0.2016733E+00 Pxc 0.7037224E+01 Qxc -0.4310980E+01 3,-1 170 3 -1 -2.069147 -3.046664 -0.700577 Rho 0.1346738E+00 |GRAD(Rho)| 0.4650365E-15 GRAD(Rho)x -0.3719220E-15 GRAD(Rho)y 0.2346959E-15 GRAD(Rho)z 0.1511649E-15 Laplacian 0.4885961E+00 (-1/4)Del**2(Rho)) -0.1221490E+00 Diamond 0.8867094E+00 Metallicity 0.4990396E+01 Ellipticity 0.1202783E+00 Gb(Abramov) 0.1830280E+00 Vb(Abramov) -0.2439070E+00 Hb(Abramov) -0.6087899E-01 Ex_ueg -0.5098345E-01 Ec_ueg -0.7469757E-02 Delta_ex -0.5130180E-01 Delta_ec 0.1307324E-01 Delta_et -0.1719532E+00 Pxc 0.6825315E+01 Qxc -0.3924185E+01 3,-1 171 3 -1 -1.907000 -2.715014 0.586614 Rho 0.9503764E-01 |GRAD(Rho)| 0.6628722E-14 GRAD(Rho)x -0.5215023E-14 GRAD(Rho)y 0.6826103E-15 GRAD(Rho)z -0.4034543E-14 Laplacian 0.3943803E+00 (-1/4)Del**2(Rho)) -0.9859507E-01 Diamond 0.4631531E+00 Metallicity 0.3458258E+01 Ellipticity 0.1256520E-01 Gb(Abramov) 0.1225579E+00 Vb(Abramov) -0.1465207E+00 Hb(Abramov) -0.2396284E-01 Ex_ueg -0.3203164E-01 Ec_ueg -0.5025443E-02 Delta_ex -0.3801652E-01 Delta_ec 0.1118182E-01 Delta_et -0.1375513E+00 Pxc 0.6373895E+01 Qxc -0.3399852E+01 3,-1 172 3 -1 -1.650586 0.420283 -2.841210 Rho 0.1387520E+00 |GRAD(Rho)| 0.6878522E-13 GRAD(Rho)x 0.6398521E-13 GRAD(Rho)y 0.4320234E-14 GRAD(Rho)z 0.2487237E-13 Laplacian 0.5733216E+00 (-1/4)Del**2(Rho)) -0.1433304E+00 Diamond 0.1058196E+01 Metallicity 0.4469719E+01 Ellipticity 0.1653955E-01 Gb(Abramov) 0.2023280E+00 Vb(Abramov) -0.2613257E+00 Hb(Abramov) -0.5899764E-01 Ex_ueg -0.5305228E-01 Ec_ueg -0.7727415E-02 Delta_ex -0.6040914E-01 Delta_ec 0.1483176E-01 Delta_et -0.1952190E+00 Pxc 0.6865463E+01 Qxc -0.4072959E+01 3,-1 173 3 +1 0.312515 -1.766312 -0.713248 Rho 0.6989610E-02 |GRAD(Rho)| 0.1574552E-16 GRAD(Rho)x -0.4705268E-18 GRAD(Rho)y 0.2735069E-17 GRAD(Rho)z 0.1549901E-16 Laplacian 0.2706471E-01 (-1/4)Del**2(Rho)) -0.6766177E-02 Diamond 0.7105208E-03 Metallicity 0.6505761E+00 Ellipticity -0.1767416E+01 Gb(Abramov) 0.5244437E-02 Vb(Abramov) -0.3722697E-02 Hb(Abramov) 0.1521740E-02 Ex_ueg -0.9870118E-03 Ec_ueg -0.2335136E-03 Delta_ex -0.1271394E-02 Delta_ec 0.5551096E-03 Delta_et -0.3446466E-02 Pxc 0.4226784E+01 Qxc -0.2290348E+01 3,+1 174 3 -1 0.487173 -1.808373 1.659287 Rho 0.4550149E-01 |GRAD(Rho)| 0.5278266E-14 GRAD(Rho)x 0.9765686E-15 GRAD(Rho)y -0.4321862E-14 GRAD(Rho)z 0.2868435E-14 Laplacian 0.1757299E+00 (-1/4)Del**2(Rho)) -0.4393248E-01 Diamond 0.7826177E-01 Metallicity 0.2274103E+01 Ellipticity 0.1002011E-01 Gb(Abramov) 0.4593948E-01 Vb(Abramov) -0.4794649E-01 Hb(Abramov) -0.2007006E-02 Ex_ueg -0.1199737E-01 Ec_ueg -0.2167765E-02 Delta_ex -0.1412149E-01 Delta_ec 0.5230572E-02 Delta_et -0.5380261E-01 Pxc 0.5534441E+01 Qxc -0.2699799E+01 3,-1 175 3 -1 2.746255 -1.762177 -0.638292 Rho 0.1639240E+00 |GRAD(Rho)| 0.1902322E-15 GRAD(Rho)x 0.6548581E-16 GRAD(Rho)y 0.3377290E-16 GRAD(Rho)z -0.1753833E-15 Laplacian 0.6692493E+00 (-1/4)Del**2(Rho)) -0.1673123E+00 Diamond 0.1488223E+01 Metallicity 0.5055487E+01 Ellipticity 0.2899677E-01 Gb(Abramov) 0.2525157E+00 Vb(Abramov) -0.3377192E+00 Hb(Abramov) -0.8520343E-01 Ex_ueg -0.6625855E-01 Ec_ueg -0.9340731E-02 Delta_ex -0.7328377E-01 Delta_ec 0.1627984E-01 Delta_et -0.2184049E+00 Pxc 0.7093508E+01 Qxc -0.4501503E+01 3,-1 176 3 -1 2.931161 -0.899741 2.050806 Rho 0.1700239E+00 |GRAD(Rho)| 0.2406477E-15 GRAD(Rho)x 0.1780938E-15 GRAD(Rho)y -0.1225420E-15 GRAD(Rho)z -0.1057233E-15 Laplacian 0.6508096E+00 (-1/4)Del**2(Rho)) -0.1627024E+00 Diamond 0.1526099E+01 Metallicity 0.5525128E+01 Ellipticity 0.6406550E-01 Gb(Abramov) 0.2582935E+00 Vb(Abramov) -0.3538847E+00 Hb(Abramov) -0.9559114E-01 Ex_ueg -0.6956619E-01 Ec_ueg -0.9737422E-02 Delta_ex -0.7203681E-01 Delta_ec 0.1589225E-01 Delta_et -0.2146874E+00 Pxc 0.7144211E+01 Qxc -0.4532827E+01 3,-1 177 3 -1 0.857708 2.979510 -1.933753 Rho 0.1483977E+00 |GRAD(Rho)| 0.1711586E-15 GRAD(Rho)x -0.1599198E-17 GRAD(Rho)y -0.2804695E-16 GRAD(Rho)z 0.1688374E-15 Laplacian 0.5702693E+00 (-1/4)Del**2(Rho)) -0.1425673E+00 Diamond 0.1139331E+01 Metallicity 0.5026261E+01 Ellipticity 0.6725707E-01 Gb(Abramov) 0.2144750E+00 Vb(Abramov) -0.2863826E+00 Hb(Abramov) -0.7190765E-01 Ex_ueg -0.5802581E-01 Ec_ueg -0.8341021E-02 Delta_ex -0.6106496E-01 Delta_ec 0.1448043E-01 Delta_et -0.1924117E+00 Pxc 0.6956679E+01 Qxc -0.4217068E+01 3,-1 178 3 -1 0.565714 2.825465 1.724947 Rho 0.1362607E+00 |GRAD(Rho)| 0.1717070E-15 GRAD(Rho)x -0.8097635E-16 GRAD(Rho)y -0.1312935E-15 GRAD(Rho)z 0.7541981E-16 Laplacian 0.5647622E+00 (-1/4)Del**2(Rho)) -0.1411905E+00 Diamond 0.1013639E+01 Metallicity 0.4402490E+01 Ellipticity 0.2108227E-01 Gb(Abramov) 0.1977254E+00 Vb(Abramov) -0.2542602E+00 Hb(Abramov) -0.5653481E-01 Ex_ueg -0.5178600E-01 Ec_ueg -0.7569887E-02 Delta_ex -0.5917440E-01 Delta_ec 0.1454698E-01 Delta_et -0.1906831E+00 Pxc 0.6841053E+01 Qxc -0.4067814E+01 3,-1 179 3 -1 3.121273 -3.131384 -0.122259 Rho 0.2198654E+00 |GRAD(Rho)| 0.8601828E-13 GRAD(Rho)x -0.6227397E-13 GRAD(Rho)y 0.5921170E-13 GRAD(Rho)z 0.3882365E-14 Laplacian 0.8157705E+00 (-1/4)Del**2(Rho)) -0.2039426E+00 Diamond 0.2593830E+01 Metallicity 0.6765608E+01 Ellipticity 0.7300298E-02 Gb(Abramov) 0.3659277E+00 Vb(Abramov) -0.5279128E+00 Hb(Abramov) -0.1619851E+00 Ex_ueg -0.9800788E-01 Ec_ueg -0.1305838E-01 Delta_ex -0.9632701E-01 Delta_ec 0.1845773E-01 Delta_et -0.2545435E+00 Pxc 0.7505361E+01 Qxc -0.5218791E+01 3,-1 180 3 -1 -0.836099 -3.427889 -1.209750 Rho 0.3182100E+00 |GRAD(Rho)| 0.8240107E-15 GRAD(Rho)x -0.6047798E-15 GRAD(Rho)y 0.5462367E-15 GRAD(Rho)z -0.1219035E-15 Laplacian -0.1644493E+01 (-1/4)Del**2(Rho)) 0.4111232E+00 Diamond 0.5670422E+01 Metallicity -0.6214947E+01 Ellipticity 0.4235677E-02 Gb(Abramov) 0.1517694E+00 Vb(Abramov) -0.7146620E+00 Hb(Abramov) -0.5628926E+00 Ex_ueg -0.1604489E+00 Ec_ueg -0.2001345E-01 Delta_ex 0.1635427E+00 Delta_ec 0.5712558E-01 Delta_et -0.1353817E+01 Pxc 0.8017053E+01 Qxc 0.2862863E+01 3,-1 181 3 -1 0.798287 -2.055009 2.994738 Rho 0.1091983E+00 |GRAD(Rho)| 0.1854161E-13 GRAD(Rho)x 0.6375387E-14 GRAD(Rho)y 0.1243894E-13 GRAD(Rho)z -0.1218272E-13 Laplacian 0.4257794E+00 (-1/4)Del**2(Rho)) -0.1064449E+00 Diamond 0.5877052E+00 Metallicity 0.4037582E+01 Ellipticity 0.2571762E-01 Gb(Abramov) 0.1425932E+00 Vb(Abramov) -0.1787416E+00 Hb(Abramov) -0.3614836E-01 Ex_ueg -0.3854837E-01 Ec_ueg -0.5885542E-02 Delta_ex -0.4234066E-01 Delta_ec 0.1161165E-01 Delta_et -0.1466680E+00 Pxc 0.6549673E+01 Qxc -0.3646396E+01 3,-1 182 3 -1 0.530975 1.830599 2.681016 Rho 0.1329714E+00 |GRAD(Rho)| 0.1305631E-15 GRAD(Rho)x -0.7119143E-16 GRAD(Rho)y -0.1085151E-15 GRAD(Rho)z 0.1424709E-16 Laplacian 0.5567646E+00 (-1/4)Del**2(Rho)) -0.1391912E+00 Diamond 0.9645241E+00 Metallicity 0.4287511E+01 Ellipticity 0.1257477E-01 Gb(Abramov) 0.1922580E+00 Vb(Abramov) -0.2453249E+00 Hb(Abramov) -0.5306688E-01 Ex_ueg -0.5012596E-01 Ec_ueg -0.7362520E-02 Delta_ex -0.5792308E-01 Delta_ec 0.1430384E-01 Delta_et -0.1865493E+00 Pxc 0.6808261E+01 Qxc -0.4049477E+01 3,-1 183 3 -1 -0.507897 -0.383699 -0.410654 Rho 0.1408495E+00 |GRAD(Rho)| 0.8571972E-12 GRAD(Rho)x 0.4963249E-12 GRAD(Rho)y 0.4266128E-12 GRAD(Rho)z 0.5535793E-12 Laplacian 0.7508364E+00 (-1/4)Del**2(Rho)) -0.1877091E+00 Diamond 0.1693791E+01 Metallicity 0.3499397E+01 Ellipticity 0.2861602E-01 Gb(Abramov) 0.2346175E+00 Vb(Abramov) -0.2815259E+00 Hb(Abramov) -0.4690842E-01 Ex_ueg -0.5412427E-01 Ec_ueg -0.7860347E-02 Delta_ex -0.8246598E-01 Delta_ec 0.2482212E-01 Delta_et -0.3389523E+00 Pxc 0.6885736E+01 Qxc -0.3322278E+01 3,-1 184 3 -1 1.116560 -2.277356 -1.965135 Rho 0.4275426E-01 |GRAD(Rho)| 0.1309535E-15 GRAD(Rho)x 0.5981653E-18 GRAD(Rho)y -0.9728908E-16 GRAD(Rho)z 0.8765438E-16 Laplacian 0.1212607E+00 (-1/4)Del**2(Rho)) -0.3031518E-01 Diamond 0.7519688E-01 Metallicity 0.2970698E+01 Ellipticity 0.1932839E-01 Gb(Abramov) 0.3521967E-01 Vb(Abramov) -0.4012415E-01 Hb(Abramov) -0.4904483E-02 Ex_ueg -0.1104140E-01 Ec_ueg -0.2018455E-02 Delta_ex -0.1095239E-01 Delta_ec 0.6035969E-02 Delta_et -0.6145889E-01 Pxc 0.5470224E+01 Qxc -0.1814521E+01 3,-1 185 3 -1 1.114604 -1.738916 -2.546722 Rho 0.3118616E+00 |GRAD(Rho)| 0.1477563E-14 GRAD(Rho)x 0.1007443E-14 GRAD(Rho)y -0.3038095E-15 GRAD(Rho)z 0.1037281E-14 Laplacian -0.1576372E+01 (-1/4)Del**2(Rho)) 0.3940930E+00 Diamond 0.5418218E+01 Metallicity -0.6269376E+01 Ellipticity 0.5547021E-02 Gb(Abramov) 0.1490575E+00 Vb(Abramov) -0.6922081E+00 Hb(Abramov) -0.5431506E+00 Ex_ueg -0.1561952E+00 Ec_ueg -0.1954837E-01 Delta_ex 0.1551097E+00 Delta_ec 0.5551578E-01 Delta_et -0.1302092E+01 Pxc 0.7990189E+01 Qxc 0.2793975E+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 80 174 155 130 181 160 156 103 183 107 142 90 133 91 146 177 94 88 182 178 86 97 168 110 175 163 161 162 179 116 149 139 150 115 167 82 153 127 169 126 141 70 152 171 56 170 55 74 65 172 59 67 62 79 58 76 125 89 63 113 119 134 176 159 120 135 138 165 121 148 140 144 158 117 154 185 143 96 184 157 180 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 18 21 21 22 25 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 20 36 52 24 27 52 53 53 2.405971 2.062730 1.843120 2.028786 1.855518 1.740326 1.663729 1.645886 1.661819 1.664220 2.328369 1.948322 1.833709 2.149109 1.906920 1.743551 2.368952 1.938825 1.927511 2.016716 1.885200 1.741914 2.352982 1.856306 1.794055 2.138985 2.108094 1.750415 2.419040 1.851609 1.943383 1.946212 2.024088 1.738637 2.384484 1.784986 2.094839 1.883047 2.080857 1.748233 2.324482 1.906591 2.072666 1.879872 1.954269 1.740017 2.214499 2.341395 1.917739 2.038224 1.743001 1.758135 2.371272 1.998363 1.844596 2.050352 1.905358 1.740448 2.451592 2.056189 1.971438 1.852847 1.886777 1.740283 2.477529 2.073724 1.921696 1.953001 1.838372 1.738552 3.250813 3.133539 3.245441 3.079104 1.002389 3.230854 3.212324 1.724419 1.791123 0.998589 2.406615 2.063186 1.843794 2.029467 1.856029 1.740354 1.663735 1.645995 1.661824 1.664226 2.329053 1.948833 1.834258 2.149756 1.907596 1.743600 2.369681 1.939466 1.928064 2.017363 1.885856 1.741940 2.353637 1.856826 1.794243 2.139724 2.108725 1.750460 2.419757 1.852147 1.943912 1.946997 2.024787 1.738655 2.385204 1.785462 2.095235 1.883539 2.081541 1.748274 2.325389 1.907414 2.073190 1.880463 1.955642 1.740050 2.215635 2.341649 1.918317 2.038846 1.743021 1.758232 2.371966 1.999008 1.845217 2.051056 1.906012 1.740479 2.452274 2.056713 1.972206 1.853443 1.887304 1.740315 2.478117 2.074372 1.923490 1.953758 1.838845 1.738570 3.331503 3.135181 3.252370 3.084380 1.002495 3.249775 3.228097 1.730692 1.792296 0.998706 27 28 22 24 23 24 20 24 20 23 31 24 24 30 23 27 27 25 23 26 23 23 27 26 22 25 25 22 29 22 25 23 25 23 27 24 25 23 25 22 27 23 25 23 23 21 26 27 25 24 22 22 27 23 24 25 27 23 27 28 25 22 24 27 29 26 23 25 22 21 36 33 35 33 21 37 35 23 24 21 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 Si Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.3186 1.9610 2.3452 2.3220 2.2646 2.3283 2.3029 2.3252 2.2747 2.3150 2.2976 2.2948 -1.1442 -1.1125 -1.1423 -1.1518 -0.9059 -0.9181 -0.8390 -0.8933 -0.7434 -0.9115 -0.9368 -0.8920 -0.8987 -0.8989 -0.9138 -0.8511 -0.8962 -0.9227 -0.9142 -0.9192 -0.9129 -0.8858 -0.9121 -0.7364 -0.7757 -0.9051 -0.9100 -0.9166 -0.7407 -0.7395 -0.7415 -0.7437 -0.7637 -0.7355 -0.7601 -0.7316 -0.7694 -0.7379 -0.7439 0.2921 0.3256 1.9026 2.3207 1.8983 1.9143 1.9460 1.9084 1.9133 1.9419 1.9490 1.9071 1.9225 1.9265 1.9012 1.9019 1.9011 1.9006 1.9420 1.9451 1.9646 1.9464 1.8801 1.9410 1.9408 1.9470 1.9484 1.9462 1.9412 1.9700 1.9537 1.9477 1.9471 1.9499 1.9487 1.9559 1.9486 1.9715 1.8794 1.9505 1.9523 1.9490 1.9713 1.9711 1.9711 1.9701 1.9682 1.9725 1.9683 1.9712 1.9651 1.9716 1.9709 0.5474 0.5264 6.0994 7.1323 6.0953 6.0973 6.1097 6.0986 6.0948 6.0915 6.0966 6.1041 6.1028 6.1090 5.2162 5.1844 5.2142 5.2232 4.9383 4.9458 4.8447 4.9194 4.8335 4.9462 4.9700 4.9171 4.9222 4.9243 4.9457 4.8505 4.9149 4.9453 4.9389 4.9409 4.9354 4.9009 4.9350 4.7334 4.8675 4.9279 4.9290 4.9399 4.7378 4.7366 4.7392 4.7421 4.7656 4.7310 4.7614 4.7288 4.7753 4.7347 4.7413 0.1606 0.1480 3.6794 0.5860 3.6612 3.6663 3.6797 3.6647 3.6889 3.6414 3.6796 3.6738 3.6771 3.6697 0.0268 0.0262 0.0270 0.0280 0.0255 0.0271 0.0297 0.0274 0.0297 0.0243 0.0261 0.0279 0.0281 0.0283 0.0269 0.0306 0.0276 0.0296 0.0282 0.0284 0.0289 0.0290 0.0284 0.0315 0.0289 0.0267 0.0287 0.0278 0.0316 0.0319 0.0312 0.0314 0.0300 0.0320 0.0304 0.0316 0.0290 0.0316 0.0317 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 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 Si Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 3.171720 1.765675 3.175523 3.180631 3.148257 3.179314 3.155099 3.188401 3.159295 3.173703 3.172696 3.167392 -1.190080 -1.133310 -1.189499 -1.199897 -1.185805 -1.183119 -1.117251 -1.170894 -0.739919 -1.190928 -1.204613 -1.170990 -1.170305 -1.169959 -1.196458 -0.923886 -1.159211 -1.172582 -1.179832 -1.178530 -1.176650 -1.141906 -1.174636 -1.004147 -0.729023 -1.165742 -1.168158 -1.173924 -1.009443 -1.013337 -1.008986 -1.013618 -1.037604 -1.002178 -1.033920 -0.997289 -1.037397 -1.006003 -1.013983 0.044547 0.052759 2.375722 1.346130 2.377040 2.374230 2.334700 2.378457 2.363944 2.367664 2.368623 2.376894 2.374257 2.349027 -0.912423 -0.862979 -0.913271 -0.920682 -0.907965 -0.931146 -0.887981 -0.913867 -0.830733 -0.911223 -0.907422 -0.910162 -0.911919 -0.908185 -0.911983 -0.740754 -0.940848 -0.927064 -0.931228 -0.952350 -0.943318 -0.912908 -0.946591 -0.785878 -0.862883 -0.949820 -0.945470 -0.947774 -0.776660 -0.769983 -0.780410 -0.789558 -0.814815 -0.773782 -0.805179 -0.759071 -0.836374 -0.775962 -0.785238 0.299365 0.309807 2.453092 1.328231 2.453477 2.459507 2.403859 2.462335 2.435311 2.493194 2.443465 2.457591 2.457052 2.444430 -0.909730 -0.908178 -0.917838 -0.927132 -0.998793 -1.006844 -0.938364 -0.983567 -0.900387 -1.003190 -1.008296 -0.971335 -0.975434 -1.027225 -0.991561 -0.857318 -0.976305 -0.966414 -0.983681 -0.997962 -0.977388 -0.958253 -0.987849 -0.774599 -0.935569 -0.985739 -0.999163 -0.996148 -0.735232 -0.749132 -0.736891 -0.748789 -0.771867 -0.727637 -0.764697 -0.741143 -0.821326 -0.731832 -0.749680 0.397949 0.452999 2.60786753 -2.22161736 -0.69743042 3.49613586 -14.54991102 5.76201612 -6.28670474 10.34720164 12.70731339 4.20270939 -320.7356 405.7336 -139.6648 -348.7262 -42.8306 -446.2235 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 0 Mar02-2024 00:47:47 Nodes: 1 Procs: 1 Mar02-2024 00:47:48 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar02-2024 00:47:48 Nodes: 1 Procs: 1 Mar02-2024 00:47:49 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar02-2024 00:47:50 Nodes: 1 Procs: 1 Mar02-2024 00:47:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar02-2024 00:47:51 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -16.35667992 -16.38425460 -16.39150597 -16.39540473 -16.39664231 -16.39802851 -16.39818686 -16.39829964 -16.39839027 -16.39839828 -16.39841651 -16.39840666 -16.39841029 -16.39841531 -16.39841989 -16.39842170 -16.39841861 -16.39841195 GEOMETRY CONVERGED