ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr17-2024 11:25:46 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.02 0.40 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 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr17-2024 11:25:46 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 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 0 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 Apr17-2024 11:25:47 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr17-2024 11:25:47 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 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 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 0 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 Apr17-2024 11:25:47 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr17-2024 11:25:47 Nodes: 1 Procs: 1 Apr17-2024 11:25:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr17-2024 11:25:49 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 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 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 0 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 Apr17-2024 11:25:47 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr17-2024 11:25:47 Nodes: 1 Procs: 1 Apr17-2024 11:25:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr17-2024 11:25:49 Nodes: 1 Procs: 1 Apr17-2024 11:25:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr17-2024 11:25:50 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 0.04 1.41 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 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 0 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 Apr17-2024 11:25:47 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr17-2024 11:25:47 Nodes: 1 Procs: 1 Apr17-2024 11:25:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr17-2024 11:25:49 Nodes: 1 Procs: 1 Apr17-2024 11:25:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr17-2024 11:25:50 Nodes: 1 Procs: 1 Apr17-2024 11:25:51 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr17-2024 11:25:52 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2613.3297610000045 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0.3194508E+03 3,-3 47 3 -3 -3.772092 3.812828 -0.218806 Rho 0.3187086E+03 3,-3 48 3 -3 -3.752391 -3.724901 0.195905 Rho 0.3196051E+03 3,-3 49 3 -3 -3.716641 0.199430 -3.764270 Rho 0.3196158E+03 3,-3 50 3 -3 -3.769156 -0.148397 3.742755 Rho 0.3194602E+03 3,-3 51 3 -3 3.757044 0.195709 3.776764 Rho 0.3194604E+03 3,-3 52 3 -3 3.761824 -0.218763 -3.723055 Rho 0.3194629E+03 3,-3 53 3 -3 0.002948 -0.002088 -0.038957 Rho 0.2439505E+04 3,-3 54 3 -3 -4.441246 3.770381 -0.937867 Rho 0.4393708E+00 3,-3 55 3 -3 3.955066 -4.550339 0.325802 Rho 0.4381158E+00 3,-3 56 3 -1 -1.657873 -0.516701 -1.738675 Rho 0.3765825E-01 |GRAD(Rho)| 0.9168130E-16 GRAD(Rho)x -0.4935407E-16 GRAD(Rho)y 0.3859003E-16 GRAD(Rho)z -0.6693614E-16 Laplacian 0.1579328E+00 (-1/4)Del**2(Rho)) -0.3948320E-01 Diamond 0.5597147E-01 Metallicity 0.1846040E+01 Ellipticity 0.1546276E-01 Gb(Abramov) 0.3847006E-01 Vb(Abramov) -0.3745692E-01 Hb(Abramov) 0.1013140E-02 Ex_ueg -0.9322489E-02 Ec_ueg -0.1744987E-02 Delta_ex -0.1220863E-01 Delta_ec 0.4885223E-02 Delta_et -0.4777738E-01 Pxc 0.5342441E+01 Qxc -0.2499093E+01 3,-1 57 3 -1 -1.826056 -0.568229 2.797710 Rho 0.1397739E+00 |GRAD(Rho)| 0.5189778E-15 GRAD(Rho)x 0.3443155E-15 GRAD(Rho)y -0.3877107E-15 GRAD(Rho)z 0.2156885E-16 Laplacian 0.5939302E+00 (-1/4)Del**2(Rho)) -0.1484826E+00 Diamond 0.1112796E+01 Metallicity 0.4367719E+01 Ellipticity 0.8685250E-02 Gb(Abramov) 0.2070767E+00 Vb(Abramov) -0.2656709E+00 Hb(Abramov) -0.5859417E-01 Ex_ueg -0.5357390E-01 Ec_ueg -0.7792147E-02 Delta_ex -0.6276750E-01 Delta_ec 0.1547147E-01 Delta_et -0.2041442E+00 Pxc 0.6875371E+01 Qxc -0.4056982E+01 3,-1 58 3 +1 -1.722966 1.745862 -1.760326 Rho 0.1247915E-01 |GRAD(Rho)| 0.1126836E-16 GRAD(Rho)x 0.7080662E-17 GRAD(Rho)y 0.8765744E-17 GRAD(Rho)z -0.4398470E-19 Laplacian 0.6329852E-01 (-1/4)Del**2(Rho)) -0.1582463E-01 Diamond 0.2696299E-02 Metallicity 0.7309058E+00 Ellipticity -0.1267685E+01 Gb(Abramov) 0.1247747E-01 Vb(Abramov) -0.9130315E-02 Hb(Abramov) 0.3347158E-02 Ex_ueg -0.2137791E-02 Ec_ueg -0.4817333E-03 Delta_ex -0.3149226E-02 Delta_ec 0.8313892E-03 Delta_et -0.6286552E-02 Pxc 0.4437706E+01 Qxc -0.3787908E+01 3,+1 59 3 +1 1.997519 1.973965 -1.989737 Rho 0.1266079E-01 |GRAD(Rho)| 0.1228904E-16 GRAD(Rho)x -0.8581769E-17 GRAD(Rho)y 0.6510287E-17 GRAD(Rho)z -0.5915234E-17 Laplacian 0.5961699E-01 (-1/4)Del**2(Rho)) -0.1490425E-01 Diamond 0.2068097E-02 Metallicity 0.7949587E+00 Ellipticity -0.1140625E+01 Gb(Abramov) 0.1191088E-01 Vb(Abramov) -0.8917503E-02 Hb(Abramov) 0.2993372E-02 Ex_ueg -0.2179380E-02 Ec_ueg -0.4901588E-03 Delta_ex -0.2836907E-02 Delta_ec 0.5321768E-03 Delta_et -0.4223194E-02 Pxc 0.4446273E+01 Qxc -0.5330761E+01 3,+1 60 3 +1 -0.539925 -1.686852 0.518116 Rho 0.8519437E-02 |GRAD(Rho)| 0.8665101E-15 GRAD(Rho)x 0.1554295E-15 GRAD(Rho)y -0.4641078E-15 GRAD(Rho)z 0.7150422E-15 Laplacian 0.3516281E-01 (-1/4)Del**2(Rho)) -0.8790702E-02 Diamond 0.9982723E-03 Metallicity 0.6964358E+00 Ellipticity -0.1458958E+01 Gb(Abramov) 0.6880828E-02 Vb(Abramov) -0.4970954E-02 Hb(Abramov) 0.1909874E-02 Ex_ueg -0.1285088E-02 Ec_ueg -0.3013769E-03 Delta_ex -0.1634156E-02 Delta_ec 0.5512218E-03 Delta_et -0.3712495E-02 Pxc 0.4264056E+01 Qxc -0.2964606E+01 3,+1 61 3 -1 -1.956610 2.933457 0.806846 Rho 0.1597227E+00 |GRAD(Rho)| 0.6865578E-12 GRAD(Rho)x 0.3695724E-12 GRAD(Rho)y 0.2937954E-12 GRAD(Rho)z 0.4984598E-12 Laplacian 0.6350733E+00 (-1/4)Del**2(Rho)) -0.1587683E+00 Diamond 0.1380354E+01 Metallicity 0.5101920E+01 Ellipticity 0.2007358E-01 Gb(Abramov) 0.2408494E+00 Vb(Abramov) -0.3229305E+00 Hb(Abramov) -0.8208110E-01 Ex_ueg -0.6400401E-01 Ec_ueg -0.9068783E-02 Delta_ex -0.6919812E-01 Delta_ec 0.1573962E-01 Delta_et -0.2109832E+00 Pxc 0.7057618E+01 Qxc -0.4396430E+01 3,-1 62 3 +3 -1.087407 1.093273 -1.147796 Rho 0.5167096E-02 |GRAD(Rho)| 0.1385067E-16 GRAD(Rho)x -0.3036778E-17 GRAD(Rho)y 0.4170013E-17 GRAD(Rho)z -0.1285419E-16 Laplacian 0.2162562E-01 (-1/4)Del**2(Rho)) -0.5406405E-02 Diamond 0.1697316E-03 Metallicity 0.4921024E+00 Ellipticity -0.2424871E+00 Gb(Abramov) 0.4047687E-02 Vb(Abramov) -0.2688970E-02 Hb(Abramov) 0.1358717E-02 Ex_ueg -0.6597516E-03 Ec_ueg -0.1541107E-03 Delta_ex -0.7644543E-03 Delta_ec 0.1139141E-03 Delta_et -0.8531854E-03 Pxc 0.4281024E+01 Qxc -0.6710796E+01 3,+3 63 3 +1 -1.246869 -1.114715 -2.151800 Rho 0.2466736E-01 |GRAD(Rho)| 0.5227152E-16 GRAD(Rho)x 0.8358000E-17 GRAD(Rho)y 0.1333713E-16 GRAD(Rho)z 0.4984552E-16 Laplacian 0.9843617E-01 (-1/4)Del**2(Rho)) -0.2460904E-01 Diamond 0.1326345E-01 Metallicity 0.1463287E+01 Ellipticity -0.4376694E+01 Gb(Abramov) 0.2240771E-01 Vb(Abramov) -0.2020638E-01 Hb(Abramov) 0.2201332E-02 Ex_ueg -0.5303329E-02 Ec_ueg -0.1071981E-02 Delta_ex -0.6169367E-02 Delta_ec 0.1793625E-02 Delta_et -0.1575108E-01 Pxc 0.4947224E+01 Qxc -0.3439607E+01 3,+1 64 3 +1 -0.113043 -0.128794 -2.873489 Rho 0.5050077E-02 |GRAD(Rho)| 0.1678610E-12 GRAD(Rho)x -0.6766822E-14 GRAD(Rho)y 0.1668057E-12 GRAD(Rho)z 0.1753231E-13 Laplacian 0.2078691E-01 (-1/4)Del**2(Rho)) -0.5196727E-02 Diamond 0.4917316E-03 Metallicity 0.4927802E+00 Ellipticity -0.3246844E+01 Gb(Abramov) 0.3891292E-02 Vb(Abramov) -0.2585857E-02 Hb(Abramov) 0.1305435E-02 Ex_ueg -0.6399054E-03 Ec_ueg -0.1490685E-03 Delta_ex -0.1035899E-02 Delta_ec 0.6552861E-03 Delta_et -0.3569128E-02 Pxc 0.4292694E+01 Qxc -0.1580835E+01 3,+1 65 3 +3 -1.836561 -1.839924 -1.864193 Rho 0.1207924E-01 |GRAD(Rho)| 0.1577310E-16 GRAD(Rho)x 0.3419408E-17 GRAD(Rho)y 0.1532464E-16 GRAD(Rho)z 0.1501262E-17 Laplacian 0.5517742E-01 (-1/4)Del**2(Rho)) -0.1379436E-01 Diamond 0.1224993E-02 Metallicity 0.7941779E+00 Ellipticity -0.6968227E+00 Gb(Abramov) 0.1102210E-01 Vb(Abramov) -0.8249842E-02 Hb(Abramov) 0.2772257E-02 Ex_ueg -0.2046937E-02 Ec_ueg -0.4632282E-03 Delta_ex -0.2428750E-02 Delta_ec 0.2016869E-03 Delta_et -0.1908751E-02 Pxc 0.4418853E+01 Qxc -0.1204218E+02 3,+3 66 3 -1 -1.680722 -1.694652 -0.503284 Rho 0.3523355E-01 |GRAD(Rho)| 0.1425188E-15 GRAD(Rho)x -0.1024210E-15 GRAD(Rho)y -0.8721422E-16 GRAD(Rho)z 0.4706607E-16 Laplacian 0.1466635E+00 (-1/4)Del**2(Rho)) -0.3666588E-01 Diamond 0.4724363E-01 Metallicity 0.1779174E+01 Ellipticity 0.8041540E-02 Gb(Abramov) 0.3531642E-01 Vb(Abramov) -0.3396696E-01 Hb(Abramov) 0.1349460E-02 Ex_ueg -0.8530877E-02 Ec_ueg -0.1616587E-02 Delta_ex -0.1113845E-01 Delta_ec 0.4509022E-02 Delta_et -0.4329794E-01 Pxc 0.5277091E+01 Qxc -0.2470257E+01 3,-1 67 3 +3 -1.099135 -1.093840 1.106493 Rho 0.4817145E-02 |GRAD(Rho)| 0.7490920E-17 GRAD(Rho)x -0.2996592E-17 GRAD(Rho)y -0.5689929E-17 GRAD(Rho)z -0.3841749E-17 Laplacian 0.1953596E-01 (-1/4)Del**2(Rho)) -0.4883991E-02 Diamond 0.1394800E-03 Metallicity 0.4846496E+00 Ellipticity -0.1437777E+00 Gb(Abramov) 0.3650498E-02 Vb(Abramov) -0.2417005E-02 Hb(Abramov) 0.1233493E-02 Ex_ueg -0.6008573E-03 Ec_ueg -0.1390523E-03 Delta_ex -0.6776191E-03 Delta_ec 0.1032010E-03 Delta_et -0.7620345E-03 Pxc 0.4321088E+01 Qxc -0.6566014E+01 3,+3 68 3 +1 -0.549285 -0.543302 1.674662 Rho 0.7945309E-02 |GRAD(Rho)| 0.1202648E-14 GRAD(Rho)x 0.7167168E-15 GRAD(Rho)y -0.9356896E-15 GRAD(Rho)z 0.2390891E-15 Laplacian 0.3252572E-01 (-1/4)Del**2(Rho)) -0.8131430E-02 Diamond 0.8287134E-03 Metallicity 0.6702511E+00 Ellipticity -0.1424827E+01 Gb(Abramov) 0.6329303E-02 Vb(Abramov) -0.4527177E-02 Hb(Abramov) 0.1802127E-02 Ex_ueg -0.1170935E-02 Ec_ueg -0.2757833E-03 Delta_ex -0.1480194E-02 Delta_ec 0.4999569E-03 Delta_et -0.3313006E-02 Pxc 0.4245852E+01 Qxc -0.2960642E+01 3,+1 69 3 +1 -1.757968 -1.752210 1.760025 Rho 0.1229918E-01 |GRAD(Rho)| 0.9491512E-16 GRAD(Rho)x 0.5297784E-16 GRAD(Rho)y -0.7527083E-16 GRAD(Rho)z -0.2316314E-16 Laplacian 0.6239354E-01 (-1/4)Del**2(Rho)) -0.1559839E-01 Diamond 0.2593590E-02 Metallicity 0.7237693E+00 Ellipticity -0.1249508E+01 Gb(Abramov) 0.1228053E-01 Vb(Abramov) -0.8962673E-02 Hb(Abramov) 0.3317856E-02 Ex_ueg -0.2096781E-02 Ec_ueg -0.4733975E-03 Delta_ex -0.3089043E-02 Delta_ec 0.8136515E-03 Delta_et -0.6134975E-02 Pxc 0.4429218E+01 Qxc -0.3796518E+01 3,+1 70 3 +1 -1.683557 -0.567937 0.499023 Rho 0.8424229E-02 |GRAD(Rho)| 0.9067156E-14 GRAD(Rho)x 0.4446576E-14 GRAD(Rho)y 0.7638801E-14 GRAD(Rho)z 0.2022374E-14 Laplacian 0.3472654E-01 (-1/4)Del**2(Rho)) -0.8681635E-02 Diamond 0.9752840E-03 Metallicity 0.6920996E+00 Ellipticity -0.1461116E+01 Gb(Abramov) 0.6789183E-02 Vb(Abramov) -0.4896730E-02 Hb(Abramov) 0.1892452E-02 Ex_ueg -0.1265975E-02 Ec_ueg -0.2971225E-03 Delta_ex -0.1611409E-02 Delta_ec 0.5479858E-03 Delta_et -0.3677110E-02 Pxc 0.4260786E+01 Qxc -0.2940603E+01 3,+1 71 3 -1 -0.468086 -1.699335 -1.696399 Rho 0.4315381E-01 |GRAD(Rho)| 0.3708956E-16 GRAD(Rho)x -0.1140297E-16 GRAD(Rho)y 0.3006565E-16 GRAD(Rho)z 0.1848416E-16 Laplacian 0.1737971E+00 (-1/4)Del**2(Rho)) -0.4344928E-01 Diamond 0.7160436E-01 Metallicity 0.2105083E+01 Ellipticity 0.1817752E-01 Gb(Abramov) 0.4421024E-01 Vb(Abramov) -0.4497121E-01 Hb(Abramov) -0.7609626E-03 Ex_ueg -0.1117920E-01 Ec_ueg -0.2040092E-02 Delta_ex -0.1376075E-01 Delta_ec 0.5135831E-02 Delta_et -0.5208296E-01 Pxc 0.5479752E+01 Qxc -0.2679363E+01 3,-1 72 3 +1 -0.168346 -2.897772 -0.147413 Rho 0.5155617E-02 |GRAD(Rho)| 0.2664739E-15 GRAD(Rho)x -0.1816069E-15 GRAD(Rho)y -0.1329203E-16 GRAD(Rho)z -0.1945523E-15 Laplacian 0.2171600E-01 (-1/4)Del**2(Rho)) -0.5429000E-02 Diamond 0.5081213E-03 Metallicity 0.4882411E+00 Ellipticity -0.2336275E+01 Gb(Abramov) 0.4061110E-02 Vb(Abramov) -0.2693220E-02 Hb(Abramov) 0.1367890E-02 Ex_ueg -0.6577980E-03 Ec_ueg -0.1536158E-03 Delta_ex -0.1068645E-02 Delta_ec 0.6526271E-03 Delta_et -0.3589643E-02 Pxc 0.4282100E+01 Qxc -0.1637450E+01 3,+1 73 3 +1 -1.664271 0.492006 -0.611157 Rho 0.9078335E-02 |GRAD(Rho)| 0.4279007E-14 GRAD(Rho)x 0.2955622E-14 GRAD(Rho)y -0.6988187E-15 GRAD(Rho)z 0.3014274E-14 Laplacian 0.3879065E-01 (-1/4)Del**2(Rho)) -0.9697662E-02 Diamond 0.1223296E-02 Metallicity 0.7018265E+00 Ellipticity -0.1466299E+01 Gb(Abramov) 0.7599454E-02 Vb(Abramov) -0.5501246E-02 Hb(Abramov) 0.2098208E-02 Ex_ueg -0.1398707E-02 Ec_ueg -0.3264326E-03 Delta_ex -0.1840929E-02 Delta_ec 0.6249602E-03 Delta_et -0.4268170E-02 Pxc 0.4284825E+01 Qxc -0.2945673E+01 3,+1 74 3 -1 -0.836146 -2.976593 -1.974391 Rho 0.1501327E+00 |GRAD(Rho)| 0.4434928E-14 GRAD(Rho)x 0.3031944E-14 GRAD(Rho)y 0.9129118E-15 GRAD(Rho)z -0.3105236E-14 Laplacian 0.5973843E+00 (-1/4)Del**2(Rho)) -0.1493461E+00 Diamond 0.1217224E+01 Metallicity 0.4891980E+01 Ellipticity 0.3690110E-01 Gb(Abramov) 0.2213304E+00 Vb(Abramov) -0.2933147E+00 Hb(Abramov) -0.7198430E-01 Ex_ueg -0.5893210E-01 Ec_ueg -0.8452007E-02 Delta_ex -0.6422050E-01 Delta_ec 0.1524852E-01 Delta_et -0.2032319E+00 Pxc 0.6972558E+01 Qxc -0.4211588E+01 3,-1 75 3 -1 -0.583050 -2.767783 1.825012 Rho 0.1466715E+00 |GRAD(Rho)| 0.7109380E-15 GRAD(Rho)x 0.3823168E-16 GRAD(Rho)y 0.6435960E-15 GRAD(Rho)z 0.2995922E-15 Laplacian 0.6168733E+00 (-1/4)Del**2(Rho)) -0.1542183E+00 Diamond 0.1216377E+01 Metallicity 0.4556801E+01 Ellipticity 0.9837722E-02 Gb(Abramov) 0.2199359E+00 Vb(Abramov) -0.2856535E+00 Hb(Abramov) -0.6571760E-01 Ex_ueg -0.5712761E-01 Ec_ueg -0.8230783E-02 Delta_ex -0.6587765E-01 Delta_ec 0.1573003E-01 Delta_et -0.2087167E+00 Pxc 0.6940725E+01 Qxc -0.4188018E+01 3,-1 76 3 -1 -0.043227 3.204629 -3.202139 Rho 0.2591293E+00 |GRAD(Rho)| 0.9042097E-15 GRAD(Rho)x -0.8196568E-16 GRAD(Rho)y -0.3549678E-15 GRAD(Rho)z 0.8275715E-15 Laplacian 0.9292818E+00 (-1/4)Del**2(Rho)) -0.2323204E+00 Diamond 0.3597909E+01 Metallicity 0.7810158E+01 Ellipticity 0.3479932E-02 Gb(Abramov) 0.4572902E+00 Vb(Abramov) -0.6822599E+00 Hb(Abramov) -0.2249698E+00 Ex_ueg -0.1220132E+00 Ec_ueg -0.1577148E-01 Delta_ex -0.1145258E+00 Delta_ec 0.2000152E-01 Delta_et -0.2772773E+00 Pxc 0.7736323E+01 Qxc -0.5725855E+01 3,-1 77 3 -1 -0.550269 2.779485 -1.810918 Rho 0.1361447E+00 |GRAD(Rho)| 0.3215248E-14 GRAD(Rho)x 0.1823994E-14 GRAD(Rho)y -0.6791646E-15 GRAD(Rho)z -0.2559219E-14 Laplacian 0.5716567E+00 (-1/4)Del**2(Rho)) -0.1429142E+00 Diamond 0.1042008E+01 Metallicity 0.4343225E+01 Ellipticity 0.1514264E-01 Gb(Abramov) 0.1987275E+00 Vb(Abramov) -0.2545408E+00 Hb(Abramov) -0.5581333E-01 Ex_ueg -0.5172723E-01 Ec_ueg -0.7562563E-02 Delta_ex -0.6007760E-01 Delta_ec 0.1507256E-01 Delta_et -0.1982420E+00 Pxc 0.6839908E+01 Qxc -0.3985893E+01 3,-1 78 3 +1 0.111297 2.907576 -0.087612 Rho 0.5048239E-02 |GRAD(Rho)| 0.1726145E-15 GRAD(Rho)x 0.1257095E-15 GRAD(Rho)y -0.3064757E-17 GRAD(Rho)z -0.1182518E-15 Laplacian 0.2090382E-01 (-1/4)Del**2(Rho)) -0.5225955E-02 Diamond 0.5333584E-03 Metallicity 0.4897269E+00 Ellipticity -0.5949091E+01 Gb(Abramov) 0.3910519E-02 Vb(Abramov) -0.2595082E-02 Hb(Abramov) 0.1315437E-02 Ex_ueg -0.6395948E-03 Ec_ueg -0.1489893E-03 Delta_ex -0.1077500E-02 Delta_ec 0.7229748E-03 Delta_et -0.3911555E-02 Pxc 0.4292891E+01 Qxc -0.1490370E+01 3,+1 79 3 +1 -0.940101 2.080696 1.391721 Rho 0.2407054E-01 |GRAD(Rho)| 0.6548942E-15 GRAD(Rho)x 0.4800672E-15 GRAD(Rho)y -0.1260145E-15 GRAD(Rho)z 0.4272496E-15 Laplacian 0.9621635E-01 (-1/4)Del**2(Rho)) -0.2405409E-01 Diamond 0.1051177E-01 Metallicity 0.1437168E+01 Ellipticity -0.2193971E+01 Gb(Abramov) 0.2179768E-01 Vb(Abramov) -0.1954128E-01 Hb(Abramov) 0.2256403E-02 Ex_ueg -0.5132941E-02 Ec_ueg -0.1042032E-02 Delta_ex -0.5760282E-02 Delta_ec 0.1340487E-02 Delta_et -0.1179869E-01 Pxc 0.4925895E+01 Qxc -0.4297155E+01 3,+1 80 3 -1 0.061104 3.222479 3.188046 Rho 0.2489361E+00 |GRAD(Rho)| 0.2210373E-15 GRAD(Rho)x -0.2921925E-16 GRAD(Rho)y -0.8998878E-16 GRAD(Rho)z -0.1997643E-15 Laplacian 0.8661098E+00 (-1/4)Del**2(Rho)) -0.2165274E+00 Diamond 0.3240058E+01 Metallicity 0.7837664E+01 Ellipticity 0.2099543E-02 Gb(Abramov) 0.4271965E+00 Vb(Abramov) -0.6378656E+00 Hb(Abramov) -0.2106691E+00 Ex_ueg -0.1156562E+00 Ec_ueg -0.1505902E-01 Delta_ex -0.1058477E+00 Delta_ec 0.1927854E-01 Delta_et -0.2689602E+00 Pxc 0.7680191E+01 Qxc -0.5490443E+01 3,-1 81 3 -1 0.589359 2.789570 1.823708 Rho 0.1358886E+00 |GRAD(Rho)| 0.3846696E-15 GRAD(Rho)x -0.3425672E-15 GRAD(Rho)y -0.5134375E-16 GRAD(Rho)z -0.1672788E-15 Laplacian 0.5755150E+00 (-1/4)Del**2(Rho)) -0.1438788E+00 Diamond 0.1021806E+01 Metallicity 0.4300591E+01 Ellipticity 0.1329424E-01 Gb(Abramov) 0.1990465E+00 Vb(Abramov) -0.2542142E+00 Hb(Abramov) -0.5516770E-01 Ex_ueg -0.5159755E-01 Ec_ueg -0.7546395E-02 Delta_ex -0.6017299E-01 Delta_ec 0.1467665E-01 Delta_et -0.1919864E+00 Pxc 0.6837377E+01 Qxc -0.4099912E+01 3,-1 82 3 -1 0.594054 1.839726 2.809203 Rho 0.1355863E+00 |GRAD(Rho)| 0.2765333E-12 GRAD(Rho)x 0.1761731E-12 GRAD(Rho)y -0.2023626E-12 GRAD(Rho)z 0.6695598E-13 Laplacian 0.5732236E+00 (-1/4)Del**2(Rho)) -0.1433059E+00 Diamond 0.1019442E+01 Metallicity 0.4301788E+01 Ellipticity 0.1100593E-01 Gb(Abramov) 0.1982825E+00 Vb(Abramov) -0.2532591E+00 Hb(Abramov) -0.5497662E-01 Ex_ueg -0.5144458E-01 Ec_ueg -0.7527318E-02 Delta_ex -0.5995134E-01 Delta_ec 0.1471618E-01 Delta_et -0.1926209E+00 Pxc 0.6834384E+01 Qxc -0.4073838E+01 3,-1 83 3 -1 -0.485470 1.701044 1.677540 Rho 0.3214677E-01 |GRAD(Rho)| 0.5596634E-16 GRAD(Rho)x -0.6403093E-17 GRAD(Rho)y -0.3613675E-16 GRAD(Rho)z -0.4225360E-16 Laplacian 0.1323121E+00 (-1/4)Del**2(Rho)) -0.3307801E-01 Diamond 0.3752425E-01 Metallicity 0.1692684E+01 Ellipticity 0.1728748E-01 Gb(Abramov) 0.3138378E-01 Vb(Abramov) -0.2968955E-01 Hb(Abramov) 0.1694232E-02 Ex_ueg -0.7549210E-02 Ec_ueg -0.1454863E-02 Delta_ex -0.9819320E-02 Delta_ec 0.4055514E-02 Delta_et -0.3796763E-01 Pxc 0.5188951E+01 Qxc -0.2421227E+01 3,-1 84 3 -1 0.867657 1.980657 -2.993585 Rho 0.1417307E+00 |GRAD(Rho)| 0.3314132E-14 GRAD(Rho)x -0.3012469E-14 GRAD(Rho)y 0.1375568E-14 GRAD(Rho)z 0.1277326E-15 Laplacian 0.5652824E+00 (-1/4)Del**2(Rho)) -0.1413206E+00 Diamond 0.1076472E+01 Metallicity 0.4696642E+01 Ellipticity 0.2672046E-01 Gb(Abramov) 0.2048358E+00 Vb(Abramov) -0.2683509E+00 Hb(Abramov) -0.6351517E-01 Ex_ueg -0.5457623E-01 Ec_ueg -0.7916277E-02 Delta_ex -0.5993711E-01 Delta_ec 0.1466625E-01 Delta_et -0.1939087E+00 Pxc 0.6894178E+01 Qxc -0.4086737E+01 3,-1 85 3 -1 0.509286 1.690777 -1.703646 Rho 0.4056797E-01 |GRAD(Rho)| 0.3841188E-14 GRAD(Rho)x 0.2159333E-14 GRAD(Rho)y 0.2145362E-14 GRAD(Rho)z 0.2342953E-14 Laplacian 0.1619785E+00 (-1/4)Del**2(Rho)) -0.4049463E-01 Diamond 0.6093210E-01 Metallicity 0.2037642E+01 Ellipticity 0.1782221E-01 Gb(Abramov) 0.4074868E-01 Vb(Abramov) -0.4100273E-01 Hb(Abramov) -0.2540531E-03 Ex_ueg -0.1029507E-01 Ec_ueg -0.1900556E-02 Delta_ex -0.1260498E-01 Delta_ec 0.4745407E-02 Delta_et -0.4732965E-01 Pxc 0.5416874E+01 Qxc -0.2656249E+01 3,-1 86 3 +1 0.536997 1.692007 0.533490 Rho 0.8338919E-02 |GRAD(Rho)| 0.3250169E-15 GRAD(Rho)x -0.3024200E-16 GRAD(Rho)y -0.2152790E-15 GRAD(Rho)z -0.2416119E-15 Laplacian 0.3445136E-01 (-1/4)Del**2(Rho)) -0.8612840E-02 Diamond 0.9542067E-03 Metallicity 0.6858931E+00 Ellipticity -0.1454142E+01 Gb(Abramov) 0.6726474E-02 Vb(Abramov) -0.4840109E-02 Hb(Abramov) 0.1886365E-02 Ex_ueg -0.1248911E-02 Ec_ueg -0.2933138E-03 Delta_ex -0.1594599E-02 Delta_ec 0.5436053E-03 Delta_et -0.3637923E-02 Pxc 0.4257934E+01 Qxc -0.2933375E+01 3,+1 87 3 +3 1.082393 1.101581 1.130448 Rho 0.4723341E-02 |GRAD(Rho)| 0.2773061E-14 GRAD(Rho)x -0.2290086E-14 GRAD(Rho)y -0.1098247E-14 GRAD(Rho)z 0.1113207E-14 Laplacian 0.1913033E-01 (-1/4)Del**2(Rho)) -0.4782582E-02 Diamond 0.1339674E-03 Metallicity 0.4789677E+00 Ellipticity -0.1176654E+00 Gb(Abramov) 0.3570172E-02 Vb(Abramov) -0.2357761E-02 Hb(Abramov) 0.1212410E-02 Ex_ueg -0.5853075E-03 Ec_ueg -0.1350265E-03 Delta_ex -0.6610046E-03 Delta_ec 0.1028536E-03 Delta_et -0.7522610E-03 Pxc 0.4334760E+01 Qxc -0.6426656E+01 3,+3 88 3 +1 1.751655 1.771458 1.784486 Rho 0.1235145E-01 |GRAD(Rho)| 0.4589050E-16 GRAD(Rho)x -0.1037450E-16 GRAD(Rho)y 0.4469993E-16 GRAD(Rho)z -0.4741048E-18 Laplacian 0.6275387E-01 (-1/4)Del**2(Rho)) -0.1568847E-01 Diamond 0.2621698E-02 Metallicity 0.7247180E+00 Ellipticity -0.1245815E+01 Gb(Abramov) 0.1235393E-01 Vb(Abramov) -0.9019394E-02 Hb(Abramov) 0.3334537E-02 Ex_ueg -0.2108671E-02 Ec_ueg -0.4758172E-03 Delta_ex -0.3109783E-02 Delta_ec 0.8173121E-03 Delta_et -0.6169746E-02 Pxc 0.4431683E+01 Qxc -0.3804891E+01 3,+1 89 3 -1 1.993956 2.968190 -0.842464 Rho 0.1434407E+00 |GRAD(Rho)| 0.1741550E-15 GRAD(Rho)x -0.9729359E-16 GRAD(Rho)y -0.1116051E-15 GRAD(Rho)z 0.9169640E-16 Laplacian 0.5732090E+00 (-1/4)Del**2(Rho)) -0.1433022E+00 Diamond 0.1106504E+01 Metallicity 0.4725208E+01 Ellipticity 0.2692188E-01 Gb(Abramov) 0.2083903E+00 Vb(Abramov) -0.2734784E+00 Hb(Abramov) -0.6508808E-01 Ex_ueg -0.5545598E-01 Ec_ueg -0.8024957E-02 Delta_ex -0.6094595E-01 Delta_ec 0.1481144E-01 Delta_et -0.1961435E+00 Pxc 0.6910439E+01 Qxc -0.4114789E+01 3,-1 90 3 +1 1.235474 2.109776 -1.155374 Rho 0.2595622E-01 |GRAD(Rho)| 0.7388510E-17 GRAD(Rho)x 0.6811467E-17 GRAD(Rho)y 0.3861915E-19 GRAD(Rho)z 0.2862254E-17 Laplacian 0.1056025E+00 (-1/4)Del**2(Rho)) -0.2640063E-01 Diamond 0.1605390E-01 Metallicity 0.1484823E+01 Ellipticity -0.7524272E+01 Gb(Abramov) 0.2413380E-01 Vb(Abramov) -0.2186696E-01 Hb(Abramov) 0.2266835E-02 Ex_ueg -0.5675973E-02 Ec_ueg -0.1136978E-02 Delta_ex -0.6790122E-02 Delta_ec 0.2070443E-02 Delta_et -0.1838720E-01 Pxc 0.4992158E+01 Qxc -0.3279550E+01 3,+1 91 3 +1 2.120395 1.235896 -1.124593 Rho 0.2615977E-01 |GRAD(Rho)| 0.4085009E-16 GRAD(Rho)x 0.2548364E-16 GRAD(Rho)y 0.1529571E-16 GRAD(Rho)z -0.2802419E-16 Laplacian 0.1062080E+00 (-1/4)Del**2(Rho)) -0.2655200E-01 Diamond 0.1612324E-01 Metallicity 0.1495705E+01 Ellipticity -0.6706034E+01 Gb(Abramov) 0.2432032E-01 Vb(Abramov) -0.2208865E-01 Hb(Abramov) 0.2231674E-02 Ex_ueg -0.5735400E-02 Ec_ueg -0.1147282E-02 Delta_ex -0.6822905E-02 Delta_ec 0.2046391E-02 Delta_et -0.1821600E-01 Pxc 0.4999117E+01 Qxc -0.3334115E+01 3,+1 92 3 +1 0.540948 0.569443 1.688500 Rho 0.7574726E-02 |GRAD(Rho)| 0.4030156E-17 GRAD(Rho)x 0.3311957E-17 GRAD(Rho)y -0.2094945E-17 GRAD(Rho)z 0.9403756E-18 Laplacian 0.3068192E-01 (-1/4)Del**2(Rho)) -0.7670480E-02 Diamond 0.7428631E-03 Metallicity 0.6561586E+00 Ellipticity -0.1432435E+01 Gb(Abramov) 0.5952495E-02 Vb(Abramov) -0.4234510E-02 Hb(Abramov) 0.1717985E-02 Ex_ueg -0.1098688E-02 Ec_ueg -0.2593427E-03 Delta_ex -0.1385409E-02 Delta_ec 0.4814021E-03 Delta_et -0.3142475E-02 Pxc 0.4236432E+01 Qxc -0.2877863E+01 3,+1 93 3 +3 0.028897 2.348490 -0.001228 Rho 0.4432908E-02 |GRAD(Rho)| 0.2455526E-15 GRAD(Rho)x -0.1542599E-15 GRAD(Rho)y 0.1159322E-15 GRAD(Rho)z 0.1518542E-15 Laplacian 0.1857177E-01 (-1/4)Del**2(Rho)) -0.4642944E-02 Diamond 0.1666497E-03 Metallicity 0.4438548E+00 Ellipticity -0.3038336E+00 Gb(Abramov) 0.3438761E-02 Vb(Abramov) -0.2234579E-02 Hb(Abramov) 0.1204182E-02 Ex_ueg -0.5378196E-03 Ec_ueg -0.1225907E-03 Delta_ex -0.6824002E-03 Delta_ec 0.1920842E-03 Delta_et -0.1166697E-02 Pxc 0.4387115E+01 Qxc -0.3552610E+01 3,+3 94 3 -1 0.864141 2.969485 -1.985513 Rho 0.1456534E+00 |GRAD(Rho)| 0.2750357E-15 GRAD(Rho)x -0.2674456E-15 GRAD(Rho)y -0.4865357E-16 GRAD(Rho)z 0.4183665E-16 Laplacian 0.5817959E+00 (-1/4)Del**2(Rho)) -0.1454490E+00 Diamond 0.1141839E+01 Metallicity 0.4775770E+01 Ellipticity 0.2929300E-01 Gb(Abramov) 0.2127378E+00 Vb(Abramov) -0.2800266E+00 Hb(Abramov) -0.6728883E-01 Ex_ueg -0.5659948E-01 Ec_ueg -0.8165851E-02 Delta_ex -0.6206908E-01 Delta_ec 0.1493854E-01 Delta_et -0.1981881E+00 Pxc 0.6931242E+01 Qxc -0.4154963E+01 3,-1 95 3 +1 1.170918 1.216472 -2.133823 Rho 0.2549660E-01 |GRAD(Rho)| 0.1478295E-16 GRAD(Rho)x 0.1477541E-17 GRAD(Rho)y 0.2160956E-17 GRAD(Rho)z 0.1454932E-16 Laplacian 0.1015023E+00 (-1/4)Del**2(Rho)) -0.2537557E-01 Diamond 0.1447050E-01 Metallicity 0.1499482E+01 Ellipticity -0.5275843E+01 Gb(Abramov) 0.2325875E-01 Vb(Abramov) -0.2114192E-01 Hb(Abramov) 0.2116824E-02 Ex_ueg -0.5542360E-02 Ec_ueg -0.1113750E-02 Delta_ex -0.6434052E-02 Delta_ec 0.1879329E-02 Delta_et -0.1663488E-01 Pxc 0.4976307E+01 Qxc -0.3423589E+01 3,+1 96 3 -1 1.691104 0.499500 -1.703300 Rho 0.4143018E-01 |GRAD(Rho)| 0.5992341E-15 GRAD(Rho)x 0.3829982E-15 GRAD(Rho)y -0.1729795E-15 GRAD(Rho)z -0.4271674E-15 Laplacian 0.1657419E+00 (-1/4)Del**2(Rho)) -0.4143547E-01 Diamond 0.6420235E-01 Metallicity 0.2062413E+01 Ellipticity 0.1754936E-01 Gb(Abramov) 0.4186649E-01 Vb(Abramov) -0.4229751E-01 Hb(Abramov) -0.4310178E-03 Ex_ueg -0.1058784E-01 Ec_ueg -0.1946952E-02 Delta_ex -0.1296811E-01 Delta_ec 0.4859475E-02 Delta_et -0.4874143E-01 Pxc 0.5438164E+01 Qxc -0.2668624E+01 3,-1 97 3 +1 1.682488 -0.514448 -0.567331 Rho 0.9152928E-02 |GRAD(Rho)| 0.1620054E-16 GRAD(Rho)x 0.1259248E-16 GRAD(Rho)y -0.9896571E-17 GRAD(Rho)z -0.2438196E-17 Laplacian 0.3894920E-01 (-1/4)Del**2(Rho)) -0.9737301E-02 Diamond 0.1198412E-02 Metallicity 0.7085676E+00 Ellipticity -0.1434028E+01 Gb(Abramov) 0.7641457E-02 Vb(Abramov) -0.5545612E-02 Hb(Abramov) 0.2095844E-02 Ex_ueg -0.1414051E-02 Ec_ueg -0.3297870E-03 Delta_ex -0.1834117E-02 Delta_ec 0.5952035E-03 Delta_et -0.4096236E-02 Pxc 0.4287771E+01 Qxc -0.3081495E+01 3,+1 98 3 +3 2.372007 0.041274 -0.009693 Rho 0.4408874E-02 |GRAD(Rho)| 0.3382587E-17 GRAD(Rho)x 0.1028902E-17 GRAD(Rho)y -0.2435419E-17 GRAD(Rho)z -0.2109974E-17 Laplacian 0.1855296E-01 (-1/4)Del**2(Rho)) -0.4638241E-02 Diamond 0.1712007E-03 Metallicity 0.4402973E+00 Ellipticity -0.2788307E+00 Gb(Abramov) 0.3432528E-02 Vb(Abramov) -0.2226815E-02 Hb(Abramov) 0.1205713E-02 Ex_ueg -0.5339353E-03 Ec_ueg -0.1215636E-03 Delta_ex -0.6873069E-03 Delta_ec 0.2035398E-03 Delta_et -0.1220095E-02 Pxc 0.4392230E+01 Qxc -0.3376770E+01 3,+3 99 3 +1 1.691726 0.550048 0.529758 Rho 0.8497830E-02 |GRAD(Rho)| 0.1622684E-16 GRAD(Rho)x 0.1396956E-16 GRAD(Rho)y 0.5976765E-17 GRAD(Rho)z 0.5695611E-17 Laplacian 0.3536642E-01 (-1/4)Del**2(Rho)) -0.8841604E-02 Diamond 0.9914193E-03 Metallicity 0.6895019E+00 Ellipticity -0.1438381E+01 Gb(Abramov) 0.6910454E-02 Vb(Abramov) -0.4979303E-02 Hb(Abramov) 0.1931151E-02 Ex_ueg -0.1280744E-02 Ec_ueg -0.3004111E-03 Delta_ex -0.1638385E-02 Delta_ec 0.5469180E-03 Delta_et -0.3686524E-02 Pxc 0.4263306E+01 Qxc -0.2995669E+01 3,+1 100 3 +3 1.863038 1.843879 -1.858811 Rho 0.1249967E-01 |GRAD(Rho)| 0.1838486E-16 GRAD(Rho)x 0.3012674E-17 GRAD(Rho)y 0.1798238E-16 GRAD(Rho)z 0.2358131E-17 Laplacian 0.5730993E-01 (-1/4)Del**2(Rho)) -0.1432748E-01 Diamond 0.1349544E-02 Metallicity 0.8094951E+00 Ellipticity -0.7524826E+00 Gb(Abramov) 0.1148466E-01 Vb(Abramov) -0.8641836E-02 Hb(Abramov) 0.2842823E-02 Ex_ueg -0.2142479E-02 Ec_ueg -0.4826844E-03 Delta_ex -0.2552248E-02 Delta_ec 0.2166246E-03 Delta_et -0.2036748E-02 Pxc 0.4438674E+01 Qxc -0.1178189E+02 3,+3 101 3 +1 0.987266 -2.078257 1.371850 Rho 0.2599813E-01 |GRAD(Rho)| 0.6865703E-16 GRAD(Rho)x 0.5922583E-17 GRAD(Rho)y -0.6176568E-16 GRAD(Rho)z 0.2938898E-16 Laplacian 0.1024624E+00 (-1/4)Del**2(Rho)) -0.2561560E-01 Diamond 0.1276357E-01 Metallicity 0.1534448E+01 Ellipticity -0.2538603E+01 Gb(Abramov) 0.2362804E-01 Vb(Abramov) -0.2164047E-01 Hb(Abramov) 0.1987566E-02 Ex_ueg -0.5688197E-02 Ec_ueg -0.1139099E-02 Delta_ex -0.6297471E-02 Delta_ec 0.1484813E-02 Delta_et -0.1328415E-01 Pxc 0.4993594E+01 Qxc -0.4241255E+01 3,+1 102 3 -1 1.820163 0.606478 2.823140 Rho 0.1467489E+00 |GRAD(Rho)| 0.1311089E-15 GRAD(Rho)x -0.9738846E-16 GRAD(Rho)y 0.1965116E-16 GRAD(Rho)z 0.8555033E-16 Laplacian 0.6179609E+00 (-1/4)Del**2(Rho)) -0.1544902E+00 Diamond 0.1225339E+01 Metallicity 0.4552784E+01 Ellipticity 0.1085220E-01 Gb(Abramov) 0.2202202E+00 Vb(Abramov) -0.2859503E+00 Hb(Abramov) -0.6573004E-01 Ex_ueg -0.5716782E-01 Ec_ueg -0.8235724E-02 Delta_ex -0.6606433E-01 Delta_ec 0.1586640E-01 Delta_et -0.2107895E+00 Pxc 0.6941444E+01 Qxc -0.4163788E+01 3,-1 103 3 -1 1.701410 1.690209 -0.498615 Rho 0.3917079E-01 |GRAD(Rho)| 0.1264587E-15 GRAD(Rho)x -0.9547734E-16 GRAD(Rho)y -0.6724340E-16 GRAD(Rho)z -0.4852016E-16 Laplacian 0.1561270E+00 (-1/4)Del**2(Rho)) -0.3903175E-01 Diamond 0.5580115E-01 Metallicity 0.1994064E+01 Ellipticity 0.1220309E-01 Gb(Abramov) 0.3899313E-01 Vb(Abramov) -0.3895452E-01 Hb(Abramov) 0.3861600E-04 Ex_ueg -0.9825052E-02 Ec_ueg -0.1825659E-02 Delta_ex -0.1203254E-01 Delta_ec 0.4554154E-02 Delta_et -0.4499454E-01 Pxc 0.5381646E+01 Qxc -0.2642101E+01 3,-1 104 3 -1 2.757213 -1.785162 -0.540105 Rho 0.1650761E+00 |GRAD(Rho)| 0.2495065E-15 GRAD(Rho)x -0.3617169E-16 GRAD(Rho)y -0.2383076E-15 GRAD(Rho)z 0.6445582E-16 Laplacian 0.7006463E+00 (-1/4)Del**2(Rho)) -0.1751616E+00 Diamond 0.1566154E+01 Metallicity 0.4885640E+01 Ellipticity 0.2701192E-01 Gb(Abramov) 0.2594038E+00 Vb(Abramov) -0.3436460E+00 Hb(Abramov) -0.8424222E-01 Ex_ueg -0.6688018E-01 Ec_ueg -0.9415488E-02 Delta_ex -0.7681186E-01 Delta_ec 0.1693383E-01 Delta_et -0.2271517E+00 Pxc 0.7103209E+01 Qxc -0.4536000E+01 3,-1 105 3 -1 2.950579 -1.937249 0.861865 Rho 0.1573988E+00 |GRAD(Rho)| 0.6155110E-15 GRAD(Rho)x 0.3154486E-15 GRAD(Rho)y 0.3773295E-15 GRAD(Rho)z 0.3700924E-15 Laplacian 0.6222655E+00 (-1/4)Del**2(Rho)) -0.1555664E+00 Diamond 0.1335987E+01 Metallicity 0.5081278E+01 Ellipticity 0.3087215E-01 Gb(Abramov) 0.2354569E+00 Vb(Abramov) -0.3153474E+00 Hb(Abramov) -0.7989053E-01 Ex_ueg -0.6276537E-01 Ec_ueg -0.8918811E-02 Delta_ex -0.6762263E-01 Delta_ec 0.1559753E-01 Delta_et -0.2089828E+00 Pxc 0.7037415E+01 Qxc -0.4335470E+01 3,-1 106 3 +1 1.981899 -1.960468 2.011902 Rho 0.1297736E-01 |GRAD(Rho)| 0.9589528E-14 GRAD(Rho)x -0.4398687E-14 GRAD(Rho)y 0.5683281E-14 GRAD(Rho)z -0.6349088E-14 Laplacian 0.6284494E-01 (-1/4)Del**2(Rho)) -0.1571123E-01 Diamond 0.2357584E-02 Metallicity 0.7858144E+00 Ellipticity -0.1165824E+01 Gb(Abramov) 0.1253184E-01 Vb(Abramov) -0.9352450E-02 Hb(Abramov) 0.3179393E-02 Ex_ueg -0.2252337E-02 Ec_ueg -0.5048732E-03 Delta_ex -0.3037594E-02 Delta_ec 0.6083069E-03 Delta_et -0.4801578E-02 Pxc 0.4461194E+01 Qxc -0.4993522E+01 3,+1 107 3 +3 1.816655 -1.794901 1.855642 Rho 0.1267302E-01 |GRAD(Rho)| 0.1531395E-16 GRAD(Rho)x 0.4173615E-17 GRAD(Rho)y -0.3355965E-17 GRAD(Rho)z -0.1434697E-16 Laplacian 0.5936120E-01 (-1/4)Del**2(Rho)) -0.1484030E-01 Diamond 0.1401278E-02 Metallicity 0.7996693E+00 Ellipticity -0.6629178E+00 Gb(Abramov) 0.1187142E-01 Vb(Abramov) -0.8902545E-02 Hb(Abramov) 0.2968878E-02 Ex_ueg -0.2182186E-02 Ec_ueg -0.4907262E-03 Delta_ex -0.2647964E-02 Delta_ec 0.2129337E-03 Delta_et -0.2033669E-02 Pxc 0.4446849E+01 Qxc -0.1243563E+02 3,+3 108 3 +3 1.119261 -1.100473 -1.116570 Rho 0.5284156E-02 |GRAD(Rho)| 0.1680990E-15 GRAD(Rho)x 0.8584464E-16 GRAD(Rho)y 0.1041415E-15 GRAD(Rho)z 0.1002124E-15 Laplacian 0.2213902E-01 (-1/4)Del**2(Rho)) -0.5534755E-02 Diamond 0.1759740E-03 Metallicity 0.4989774E+00 Ellipticity -0.1602917E+00 Gb(Abramov) 0.4150123E-02 Vb(Abramov) -0.2765491E-02 Hb(Abramov) 0.1384632E-02 Ex_ueg -0.6797553E-03 Ec_ueg -0.1591616E-03 Delta_ex -0.7846753E-03 Delta_ec 0.1116953E-03 Delta_et -0.8519080E-03 Pxc 0.4270849E+01 Qxc -0.7025144E+01 3,+3 109 3 +1 0.538465 -1.677236 -0.549004 Rho 0.9367178E-02 |GRAD(Rho)| 0.4188965E-17 GRAD(Rho)x 0.5100793E-18 GRAD(Rho)y 0.3918219E-17 GRAD(Rho)z 0.1390974E-17 Laplacian 0.3983188E-01 (-1/4)Del**2(Rho)) -0.9957970E-02 Diamond 0.1245194E-02 Metallicity 0.7201069E+00 Ellipticity -0.1427501E+01 Gb(Abramov) 0.7833780E-02 Vb(Abramov) -0.5709591E-02 Hb(Abramov) 0.2124189E-02 Ex_ueg -0.1458356E-02 Ec_ueg -0.3394351E-03 Delta_ex -0.1878720E-02 Delta_ec 0.5945977E-03 Delta_et -0.4127136E-02 Pxc 0.4296419E+01 Qxc -0.3159650E+01 3,+1 110 3 +1 2.096352 -0.982438 1.363631 Rho 0.2570205E-01 |GRAD(Rho)| 0.3516835E-16 GRAD(Rho)x 0.2537024E-16 GRAD(Rho)y -0.2409866E-16 GRAD(Rho)z -0.3523980E-17 Laplacian 0.1007057E+00 (-1/4)Del**2(Rho)) -0.2517643E-01 Diamond 0.1269989E-01 Metallicity 0.1531694E+01 Ellipticity -0.2773870E+01 Gb(Abramov) 0.2321139E-01 Vb(Abramov) -0.2124634E-01 Hb(Abramov) 0.1965046E-02 Ex_ueg -0.5601987E-02 Ec_ueg -0.1124126E-02 Delta_ex -0.6206983E-02 Delta_ec 0.1525159E-02 Delta_et -0.1359314E-01 Pxc 0.4983416E+01 Qxc -0.4069728E+01 3,+1 111 3 -1 1.970839 -0.815069 2.988510 Rho 0.1444172E+00 |GRAD(Rho)| 0.2539429E-13 GRAD(Rho)x 0.1413812E-13 GRAD(Rho)y 0.1944052E-13 GRAD(Rho)z -0.8188383E-14 Laplacian 0.5780066E+00 (-1/4)Del**2(Rho)) -0.1445016E+00 Diamond 0.1122826E+01 Metallicity 0.4739273E+01 Ellipticity 0.2575321E-01 Gb(Abramov) 0.2104732E+00 Vb(Abramov) -0.2764448E+00 Hb(Abramov) -0.6597158E-01 Ex_ueg -0.5595988E-01 Ec_ueg -0.8087095E-02 Delta_ex -0.6153623E-01 Delta_ec 0.1487194E-01 Delta_et -0.1970584E+00 Pxc 0.6919652E+01 Qxc -0.4137741E+01 3,-1 112 3 +1 2.895519 0.103599 -0.074798 Rho 0.4889339E-02 |GRAD(Rho)| 0.1717139E-14 GRAD(Rho)x 0.5830799E-16 GRAD(Rho)y 0.1219797E-14 GRAD(Rho)z -0.1207171E-14 Laplacian 0.2043190E-01 (-1/4)Del**2(Rho)) -0.5107974E-02 Diamond 0.4791212E-03 Metallicity 0.4750303E+00 Ellipticity -0.3249286E+01 Gb(Abramov) 0.3809723E-02 Vb(Abramov) -0.2511472E-02 Hb(Abramov) 0.1298251E-02 Ex_ueg -0.6128938E-03 Ec_ueg -0.1421537E-03 Delta_ex -0.1027526E-02 Delta_ec 0.6720269E-03 Delta_et -0.3613609E-02 Pxc 0.4311487E+01 Qxc -0.1528996E+01 3,+1 113 3 -1 2.967549 -0.816580 2.000882 Rho 0.1363474E+00 |GRAD(Rho)| 0.2923339E-15 GRAD(Rho)x -0.1137802E-15 GRAD(Rho)y 0.1951157E-15 GRAD(Rho)z 0.1855883E-15 Laplacian 0.5505472E+00 (-1/4)Del**2(Rho)) -0.1376368E+00 Diamond 0.1002973E+01 Metallicity 0.4520952E+01 Ellipticity 0.3300314E-01 Gb(Abramov) 0.1954661E+00 Vb(Abramov) -0.2532954E+00 Hb(Abramov) -0.5782929E-01 Ex_ueg -0.5182994E-01 Ec_ueg -0.7575363E-02 Delta_ex -0.5785333E-01 Delta_ec 0.1446329E-01 Delta_et -0.1901796E+00 Pxc 0.6841909E+01 Qxc -0.4000013E+01 3,-1 114 3 -1 2.768186 -0.569943 -1.795316 Rho 0.1233026E+00 |GRAD(Rho)| 0.1880116E-12 GRAD(Rho)x -0.2344980E-13 GRAD(Rho)y 0.1231497E-12 GRAD(Rho)z -0.1401165E-12 Laplacian 0.5145585E+00 (-1/4)Del**2(Rho)) -0.1286396E+00 Diamond 0.8359261E+00 Metallicity 0.4090710E+01 Ellipticity 0.1328362E-01 Gb(Abramov) 0.1734643E+00 Vb(Abramov) -0.2182890E+00 Hb(Abramov) -0.4482469E-01 Ex_ueg -0.4532606E-01 Ec_ueg -0.6757102E-02 Delta_ex -0.5284749E-01 Delta_ec 0.1396505E-01 Delta_et -0.1808103E+00 Pxc 0.6707914E+01 Qxc -0.3784268E+01 3,-1 115 3 -1 2.974958 0.835236 -1.974618 Rho 0.1465563E+00 |GRAD(Rho)| 0.2216516E-15 GRAD(Rho)x -0.3557538E-16 GRAD(Rho)y 0.9540979E-16 GRAD(Rho)z 0.1968776E-15 Laplacian 0.5859615E+00 (-1/4)Del**2(Rho)) -0.1464904E+00 Diamond 0.1157855E+01 Metallicity 0.4790912E+01 Ellipticity 0.3212807E-01 Gb(Abramov) 0.2146307E+00 Vb(Abramov) -0.2827709E+00 Hb(Abramov) -0.6814028E-01 Ex_ueg -0.5706778E-01 Ec_ueg -0.8223432E-02 Delta_ex -0.6260062E-01 Delta_ec 0.1500928E-01 Delta_et -0.1992750E+00 Pxc 0.6939655E+01 Qxc -0.4170795E+01 3,-1 116 3 -1 3.203968 -0.066096 -3.192137 Rho 0.2593852E+00 |GRAD(Rho)| 0.1726934E-14 GRAD(Rho)x -0.1458360E-14 GRAD(Rho)y 0.3014895E-15 GRAD(Rho)z 0.8744091E-15 Laplacian 0.9320157E+00 (-1/4)Del**2(Rho)) -0.2330039E+00 Diamond 0.3610551E+01 Metallicity 0.7800071E+01 Ellipticity 0.4072842E-02 Gb(Abramov) 0.4582438E+00 Vb(Abramov) -0.6834837E+00 Hb(Abramov) -0.2252399E+00 Ex_ueg -0.1221740E+00 Ec_ueg -0.1578944E-01 Delta_ex -0.1148819E+00 Delta_ec 0.2003509E-01 Delta_et -0.2776520E+00 Pxc 0.7737700E+01 Qxc -0.5734034E+01 3,-1 117 3 -1 3.205396 0.075205 3.232042 Rho 0.2595681E+00 |GRAD(Rho)| 0.4814003E-15 GRAD(Rho)x -0.3871686E-15 GRAD(Rho)y -0.1172294E-15 GRAD(Rho)z 0.2609675E-15 Laplacian 0.9231812E+00 (-1/4)Del**2(Rho)) -0.2307953E+00 Diamond 0.3590845E+01 Metallicity 0.7883971E+01 Ellipticity 0.2244215E-02 Gb(Abramov) 0.4571275E+00 Vb(Abramov) -0.6834596E+00 Hb(Abramov) -0.2263321E+00 Ex_ueg -0.1222888E+00 Ec_ueg -0.1580228E-01 Delta_ex -0.1138692E+00 Delta_ec 0.1993914E-01 Delta_et -0.2768052E+00 Pxc 0.7738684E+01 Qxc -0.5710836E+01 3,-1 118 3 -1 -3.196673 -3.176222 0.065770 Rho 0.2476791E+00 |GRAD(Rho)| 0.6963078E-10 GRAD(Rho)x -0.4887622E-10 GRAD(Rho)y -0.4827284E-10 GRAD(Rho)z 0.1137074E-10 Laplacian 0.8671789E+00 (-1/4)Del**2(Rho)) -0.2167947E+00 Diamond 0.3216056E+01 Metallicity 0.7762237E+01 Ellipticity 0.4523310E-03 Gb(Abramov) 0.4249985E+00 Vb(Abramov) -0.6332022E+00 Hb(Abramov) -0.2082037E+00 Ex_ueg -0.1148782E+00 Ec_ueg -0.1497157E-01 Delta_ex -0.1057959E+00 Delta_ec 0.1925596E-01 Delta_et -0.2682591E+00 Pxc 0.7673093E+01 Qxc -0.5494190E+01 3,-1 119 3 +1 -2.891347 -0.157408 -0.159849 Rho 0.4844117E-02 |GRAD(Rho)| 0.2526630E-12 GRAD(Rho)x 0.5686908E-13 GRAD(Rho)y 0.2351749E-12 GRAD(Rho)z -0.7278240E-13 Laplacian 0.2047689E-01 (-1/4)Del**2(Rho)) -0.5119221E-02 Diamond 0.4391509E-03 Metallicity 0.4667027E+00 Ellipticity -0.2120879E+01 Gb(Abramov) 0.3811007E-02 Vb(Abramov) -0.2502792E-02 Hb(Abramov) 0.1308215E-02 Ex_ueg -0.6053472E-03 Ec_ueg -0.1402107E-03 Delta_ex -0.9940140E-03 Delta_ec 0.6128620E-03 Delta_et -0.3309793E-02 Pxc 0.4317411E+01 Qxc -0.1621921E+01 3,+1 120 3 +3 -2.355893 -0.077370 -0.071009 Rho 0.4362354E-02 |GRAD(Rho)| 0.1013974E-15 GRAD(Rho)x 0.7909481E-16 GRAD(Rho)y 0.6147472E-16 GRAD(Rho)z 0.1569387E-16 Laplacian 0.1835390E-01 (-1/4)Del**2(Rho)) -0.4588474E-02 Diamond 0.1674307E-03 Metallicity 0.4372733E+00 Ellipticity -0.4286548E+00 Gb(Abramov) 0.3393386E-02 Vb(Abramov) -0.2198297E-02 Hb(Abramov) 0.1195088E-02 Ex_ueg -0.5264368E-03 Ec_ueg -0.1195763E-03 Delta_ex -0.6786851E-03 Delta_ec 0.2023157E-03 Delta_et -0.1208383E-02 Pxc 0.4402517E+01 Qxc -0.3354585E+01 3,+3 121 3 -1 -2.958865 -1.966922 -0.837610 Rho 0.1289031E+00 |GRAD(Rho)| 0.9414474E-12 GRAD(Rho)x -0.3659689E-12 GRAD(Rho)y 0.5269904E-12 GRAD(Rho)z -0.6889638E-12 Laplacian 0.5064957E+00 (-1/4)Del**2(Rho)) -0.1266239E+00 Diamond 0.8529917E+00 Metallicity 0.4475169E+01 Ellipticity 0.3423370E-01 Gb(Abramov) 0.1788599E+00 Vb(Abramov) -0.2310958E+00 Hb(Abramov) -0.5223593E-01 Ex_ueg -0.4809161E-01 Ec_ueg -0.7107018E-02 Delta_ex -0.5239224E-01 Delta_ec 0.1327805E-01 Delta_et -0.1726391E+00 Pxc 0.6766778E+01 Qxc -0.3945778E+01 3,-1 122 3 -1 -2.778681 -1.807624 0.582777 Rho 0.1353418E+00 |GRAD(Rho)| 0.1758064E-15 GRAD(Rho)x -0.8210121E-16 GRAD(Rho)y -0.8391725E-16 GRAD(Rho)z 0.1308632E-15 Laplacian 0.5744002E+00 (-1/4)Del**2(Rho)) -0.1436000E+00 Diamond 0.1017372E+01 Metallicity 0.4280082E+01 Ellipticity 0.1094506E-01 Gb(Abramov) 0.1981700E+00 Vb(Abramov) -0.2527400E+00 Hb(Abramov) -0.5456997E-01 Ex_ueg -0.5132092E-01 Ec_ueg -0.7511890E-02 Delta_ex -0.6002576E-01 Delta_ec 0.1471307E-01 Delta_et -0.1924472E+00 Pxc 0.6831959E+01 Qxc -0.4079757E+01 3,-1 123 3 -1 -1.983348 -2.959517 -0.833815 Rho 0.1284583E+00 |GRAD(Rho)| 0.8670415E-15 GRAD(Rho)x -0.6599606E-15 GRAD(Rho)y -0.4694121E-15 GRAD(Rho)z 0.3096210E-15 Laplacian 0.5098598E+00 (-1/4)Del**2(Rho)) -0.1274650E+00 Diamond 0.8533715E+00 Metallicity 0.4420106E+01 Ellipticity 0.3271334E-01 Gb(Abramov) 0.1788781E+00 Vb(Abramov) -0.2302912E+00 Hb(Abramov) -0.5141311E-01 Ex_ueg -0.4787050E-01 Ec_ueg -0.7079152E-02 Delta_ex -0.5267517E-01 Delta_ec 0.1333951E-01 Delta_et -0.1732710E+00 Pxc 0.6762180E+01 Qxc -0.3948809E+01 3,-1 124 3 +1 -1.982846 -1.986878 -2.013278 Rho 0.1229862E-01 |GRAD(Rho)| 0.5976242E-14 GRAD(Rho)x -0.3014034E-14 GRAD(Rho)y -0.2926396E-14 GRAD(Rho)z 0.4250561E-14 Laplacian 0.5794623E-01 (-1/4)Del**2(Rho)) -0.1448656E-01 Diamond 0.1989769E-02 Metallicity 0.7792593E+00 Ellipticity -0.1158971E+01 Gb(Abramov) 0.1153917E-01 Vb(Abramov) -0.8591781E-02 Hb(Abramov) 0.2947389E-02 Ex_ueg -0.2096655E-02 Ec_ueg -0.4733719E-03 Delta_ex -0.2751704E-02 Delta_ec 0.5465434E-03 Delta_et -0.4278746E-02 Pxc 0.4429192E+01 Qxc -0.5034740E+01 3,+1 125 3 -1 -1.812279 -2.771807 0.581775 Rho 0.1311064E+00 |GRAD(Rho)| 0.2997930E-14 GRAD(Rho)x -0.2198911E-14 GRAD(Rho)y 0.4266437E-15 GRAD(Rho)z -0.1992574E-14 Laplacian 0.5517765E+00 (-1/4)Del**2(Rho)) -0.1379441E+00 Diamond 0.9419789E+00 Metallicity 0.4225614E+01 Ellipticity 0.8175269E-02 Gb(Abramov) 0.1891125E+00 Vb(Abramov) -0.2402809E+00 Hb(Abramov) -0.5116840E-01 Ex_ueg -0.4919077E-01 Ec_ueg -0.7245258E-02 Delta_ex -0.5723387E-01 Delta_ec 0.1427059E-01 Delta_et -0.1857945E+00 Pxc 0.6789374E+01 Qxc -0.4010616E+01 3,-1 126 3 +1 -1.351493 -2.102876 -1.018722 Rho 0.2491627E-01 |GRAD(Rho)| 0.5307419E-16 GRAD(Rho)x 0.2771235E-16 GRAD(Rho)y 0.4509131E-16 GRAD(Rho)z 0.3958372E-17 Laplacian 0.9937193E-01 (-1/4)Del**2(Rho)) -0.2484298E-01 Diamond 0.1261726E-01 Metallicity 0.1473967E+01 Ellipticity -0.3030064E+01 Gb(Abramov) 0.2266494E-01 Vb(Abramov) -0.2048691E-01 Hb(Abramov) 0.2178036E-02 Ex_ueg -0.5374802E-02 Ec_ueg -0.1084499E-02 Delta_ex -0.6139995E-02 Delta_ec 0.1624016E-02 Delta_et -0.1433832E-01 Pxc 0.4956021E+01 Qxc -0.3780748E+01 3,+1 127 3 +3 -0.026710 -2.341178 -0.002431 Rho 0.4567674E-02 |GRAD(Rho)| 0.1822255E-16 GRAD(Rho)x 0.2454304E-17 GRAD(Rho)y 0.1305665E-16 GRAD(Rho)z -0.1247243E-16 Laplacian 0.1916397E-01 (-1/4)Del**2(Rho)) -0.4790992E-02 Diamond 0.1781461E-03 Metallicity 0.4521539E+00 Ellipticity -0.3640468E+00 Gb(Abramov) 0.3555039E-02 Vb(Abramov) -0.2319086E-02 Hb(Abramov) 0.1235953E-02 Ex_ueg -0.5597299E-03 Ec_ueg -0.1283557E-03 Delta_ex -0.7084811E-03 Delta_ec 0.1964467E-03 Delta_et -0.1204289E-02 Pxc 0.4360770E+01 Qxc -0.3606480E+01 3,+3 128 3 -1 0.482629 -1.675292 1.689062 Rho 0.3689144E-01 |GRAD(Rho)| 0.8622091E-16 GRAD(Rho)x -0.1617457E-16 GRAD(Rho)y -0.7192390E-16 GRAD(Rho)z 0.4471445E-16 Laplacian 0.1442783E+00 (-1/4)Del**2(Rho)) -0.3606957E-01 Diamond 0.4744741E-01 Metallicity 0.1952637E+01 Ellipticity 0.2592802E-01 Gb(Abramov) 0.3578484E-01 Vb(Abramov) -0.3550012E-01 Hb(Abramov) 0.2847243E-03 Ex_ueg -0.9070249E-02 Ec_ueg -0.1704255E-02 Delta_ex -0.1095008E-01 Delta_ec 0.4200805E-02 Delta_et -0.4083684E-01 Pxc 0.5322118E+01 Qxc -0.2606663E+01 3,-1 129 3 +1 -0.509526 1.679488 -0.576242 Rho 0.9089119E-02 |GRAD(Rho)| 0.1985582E-16 GRAD(Rho)x 0.1072576E-16 GRAD(Rho)y -0.1638294E-16 GRAD(Rho)z 0.3287986E-17 Laplacian 0.3850381E-01 (-1/4)Del**2(Rho)) -0.9625953E-02 Diamond 0.1164142E-02 Metallicity 0.7084552E+00 Ellipticity -0.1427738E+01 Gb(Abramov) 0.7553895E-02 Vb(Abramov) -0.5481837E-02 Hb(Abramov) 0.2072058E-02 Ex_ueg -0.1400922E-02 Ec_ueg -0.3269174E-03 Delta_ex -0.1806060E-02 Delta_ec 0.5814271E-03 Delta_et -0.3999233E-02 Pxc 0.4285249E+01 Qxc -0.3106254E+01 3,+1 130 3 -1 -0.822356 -1.999683 -2.990798 Rho 0.1378920E+00 |GRAD(Rho)| 0.5187812E-15 GRAD(Rho)x 0.5100087E-15 GRAD(Rho)y -0.6144716E-16 GRAD(Rho)z 0.7245181E-16 Laplacian 0.5482482E+00 (-1/4)Del**2(Rho)) -0.1370620E+00 Diamond 0.1012966E+01 Metallicity 0.4625950E+01 Ellipticity 0.2459766E-01 Gb(Abramov) 0.1970484E+00 Vb(Abramov) -0.2570347E+00 Hb(Abramov) -0.5998635E-01 Ex_ueg -0.5261429E-01 Ec_ueg -0.7672990E-02 Delta_ex -0.5777557E-01 Delta_ec 0.1437524E-01 Delta_et -0.1893784E+00 Pxc 0.6857078E+01 Qxc -0.4019104E+01 3,-1 131 3 +1 -1.020025 1.341906 2.072096 Rho 0.2315119E-01 |GRAD(Rho)| 0.1009801E-16 GRAD(Rho)x 0.7074105E-17 GRAD(Rho)y 0.3764630E-17 GRAD(Rho)z 0.6144467E-17 Laplacian 0.9115650E-01 (-1/4)Del**2(Rho)) -0.2278912E-01 Diamond 0.1103234E-01 Metallicity 0.1421612E+01 Ellipticity -0.3644390E+01 Gb(Abramov) 0.2059230E-01 Vb(Abramov) -0.1839547E-01 Hb(Abramov) 0.2196825E-02 Ex_ueg -0.4873222E-02 Ec_ueg -0.9960877E-03 Delta_ex -0.5591426E-02 Delta_ec 0.1612653E-02 Delta_et -0.1394993E-01 Pxc 0.4892363E+01 Qxc -0.3467222E+01 3,+1 132 3 +1 -2.099753 1.029813 1.306526 Rho 0.2592147E-01 |GRAD(Rho)| 0.1767359E-11 GRAD(Rho)x 0.1333814E-11 GRAD(Rho)y -0.1115633E-11 GRAD(Rho)z 0.3160065E-12 Laplacian 0.1023999E+00 (-1/4)Del**2(Rho)) -0.2559998E-01 Diamond 0.1362434E-01 Metallicity 0.1527846E+01 Ellipticity -0.3185373E+01 Gb(Abramov) 0.2358546E-01 Vb(Abramov) -0.2157094E-01 Hb(Abramov) 0.2014522E-02 Ex_ueg -0.5665844E-02 Ec_ueg -0.1135220E-02 Delta_ex -0.6383806E-02 Delta_ec 0.1653988E-02 Delta_et -0.1474674E-01 Pxc 0.4990966E+01 Qxc -0.3859644E+01 3,+1 133 3 +1 1.748188 -1.751366 -1.729252 Rho 0.1262861E-01 |GRAD(Rho)| 0.5068544E-15 GRAD(Rho)x 0.2163189E-15 GRAD(Rho)y -0.2221748E-15 GRAD(Rho)z 0.4009313E-15 Laplacian 0.6421584E-01 (-1/4)Del**2(Rho)) -0.1605396E-01 Diamond 0.2757552E-02 Metallicity 0.7349038E+00 Ellipticity -0.1254612E+01 Gb(Abramov) 0.1266899E-01 Vb(Abramov) -0.9284026E-02 Hb(Abramov) 0.3384967E-02 Ex_ueg -0.2171998E-02 Ec_ueg -0.4886653E-03 Delta_ex -0.3198757E-02 Delta_ec 0.8324138E-03 Delta_et -0.6320783E-02 Pxc 0.4444755E+01 Qxc -0.3842749E+01 3,+1 134 3 -1 1.687612 -1.662067 0.483805 Rho 0.4653626E-01 |GRAD(Rho)| 0.2961001E-13 GRAD(Rho)x 0.2027498E-13 GRAD(Rho)y -0.1981916E-13 GRAD(Rho)z -0.8536911E-14 Laplacian 0.1864646E+00 (-1/4)Del**2(Rho)) -0.4661615E-01 Diamond 0.8229515E-01 Metallicity 0.2225030E+01 Ellipticity 0.1201428E-01 Gb(Abramov) 0.4836449E-01 Vb(Abramov) -0.5011282E-01 Hb(Abramov) -0.1748339E-02 Ex_ueg -0.1236252E-01 Ec_ueg -0.2224325E-02 Delta_ex -0.1491100E-01 Delta_ec 0.5267599E-02 Delta_et -0.5444291E-01 Pxc 0.5557875E+01 Qxc -0.2830701E+01 3,-1 135 3 +1 0.565389 -0.528695 -1.686370 Rho 0.9347957E-02 |GRAD(Rho)| 0.1380608E-15 GRAD(Rho)x 0.6153132E-16 GRAD(Rho)y 0.1183412E-15 GRAD(Rho)z 0.3563765E-16 Laplacian 0.3926860E-01 (-1/4)Del**2(Rho)) -0.9817149E-02 Diamond 0.1238417E-02 Metallicity 0.7279400E+00 Ellipticity -0.1453306E+01 Gb(Abramov) 0.7735815E-02 Vb(Abramov) -0.5654482E-02 Hb(Abramov) 0.2081334E-02 Ex_ueg -0.1454367E-02 Ec_ueg -0.3385687E-03 Delta_ex -0.1856943E-02 Delta_ec 0.5964573E-03 Delta_et -0.4130186E-02 Pxc 0.4295632E+01 Qxc -0.3113288E+01 3,+1 136 3 +3 -0.006826 0.029290 2.350650 Rho 0.3968809E-02 |GRAD(Rho)| 0.2505399E-13 GRAD(Rho)x -0.4437175E-14 GRAD(Rho)y -0.2197158E-13 GRAD(Rho)z -0.1119212E-13 Laplacian 0.1615857E-01 (-1/4)Del**2(Rho)) -0.4039643E-02 Diamond 0.1219542E-03 Metallicity 0.4242714E+00 Ellipticity -0.2452206E+00 Gb(Abramov) 0.2978746E-02 Vb(Abramov) -0.1917849E-02 Hb(Abramov) 0.1060897E-02 Ex_ueg -0.4640861E-03 Ec_ueg -0.1028100E-03 Delta_ex -0.5739665E-03 Delta_ec 0.1606450E-03 Delta_et -0.9572852E-03 Pxc 0.4514019E+01 Qxc -0.3572888E+01 3,+3 137 3 -1 -2.939587 -0.844441 -2.016832 Rho 0.1406871E+00 |GRAD(Rho)| 0.5526575E-15 GRAD(Rho)x 0.2896582E-15 GRAD(Rho)y 0.4219308E-15 GRAD(Rho)z -0.2085734E-15 Laplacian 0.5559695E+00 (-1/4)Del**2(Rho)) -0.1389924E+00 Diamond 0.1035175E+01 Metallicity 0.4716857E+01 Ellipticity 0.4953294E-01 Gb(Abramov) 0.2019294E+00 Vb(Abramov) -0.2648665E+00 Hb(Abramov) -0.6293707E-01 Ex_ueg -0.5404109E-01 Ec_ueg -0.7850046E-02 Delta_ex -0.5868959E-01 Delta_ec 0.1417540E-01 Delta_et -0.1866369E+00 Pxc 0.6884175E+01 Qxc -0.4140241E+01 3,-1 138 3 -1 -1.698113 0.497181 1.668915 Rho 0.3703101E-01 |GRAD(Rho)| 0.1178128E-14 GRAD(Rho)x 0.7384179E-15 GRAD(Rho)y 0.9560498E-16 GRAD(Rho)z -0.9130081E-15 Laplacian 0.1458941E+00 (-1/4)Del**2(Rho)) -0.3647351E-01 Diamond 0.4830126E-01 Metallicity 0.1943203E+01 Ellipticity 0.1395292E-01 Gb(Abramov) 0.3612825E-01 Vb(Abramov) -0.3578299E-01 Hb(Abramov) 0.3452639E-03 Ex_ueg -0.9116032E-02 Ec_ueg -0.1711661E-02 Delta_ex -0.1108792E-01 Delta_ec 0.4256409E-02 Delta_et -0.4142027E-01 Pxc 0.5325840E+01 Qxc -0.2604993E+01 3,-1 139 3 -1 -2.970754 0.853908 1.970160 Rho 0.1426370E+00 |GRAD(Rho)| 0.7808697E-14 GRAD(Rho)x 0.1549908E-14 GRAD(Rho)y -0.6073240E-14 GRAD(Rho)z 0.4657177E-14 Laplacian 0.5758569E+00 (-1/4)Del**2(Rho)) -0.1439642E+00 Diamond 0.1106231E+01 Metallicity 0.4659639E+01 Ellipticity 0.4141157E-01 Gb(Abramov) 0.2077797E+00 Vb(Abramov) -0.2715952E+00 Hb(Abramov) -0.6381548E-01 Ex_ueg -0.5504206E-01 Ec_ueg -0.7973855E-02 Delta_ex -0.6116593E-01 Delta_ec 0.1494010E-01 Delta_et -0.1977665E+00 Pxc 0.6902817E+01 Qxc -0.4094079E+01 3,-1 140 3 -1 -3.215063 -0.027736 3.200002 Rho 0.2592116E+00 |GRAD(Rho)| 0.4382105E-15 GRAD(Rho)x -0.3890117E-15 GRAD(Rho)y 0.1433857E-16 GRAD(Rho)z -0.2012279E-15 Laplacian 0.9247233E+00 (-1/4)Del**2(Rho)) -0.2311808E+00 Diamond 0.3589269E+01 Metallicity 0.7852817E+01 Ellipticity 0.3014254E-02 Gb(Abramov) 0.4566907E+00 Vb(Abramov) -0.6822005E+00 Hb(Abramov) -0.2255099E+00 Ex_ueg -0.1220650E+00 Ec_ueg -0.1577726E-01 Delta_ex -0.1140103E+00 Delta_ec 0.1996696E-01 Delta_et -0.2771188E+00 Pxc 0.7736767E+01 Qxc -0.5709945E+01 3,-1 141 3 -1 -1.784275 0.552114 -2.803569 Rho 0.1316524E+00 |GRAD(Rho)| 0.1063019E-15 GRAD(Rho)x 0.5027988E-16 GRAD(Rho)y 0.8966352E-16 GRAD(Rho)z 0.2706440E-16 Laplacian 0.5569707E+00 (-1/4)Del**2(Rho)) -0.1392427E+00 Diamond 0.9537492E+00 Metallicity 0.4215303E+01 Ellipticity 0.1273917E-01 Gb(Abramov) 0.1906535E+00 Vb(Abramov) -0.2420643E+00 Hb(Abramov) -0.5141080E-01 Ex_ueg -0.4946411E-01 Ec_ueg -0.7279565E-02 Delta_ex -0.5780880E-01 Delta_ec 0.1435121E-01 Delta_et -0.1868909E+00 Pxc 0.6794926E+01 Qxc -0.4028149E+01 3,-1 142 3 +1 -0.047210 0.062601 2.928021 Rho 0.4541869E-02 |GRAD(Rho)| 0.5363887E-17 GRAD(Rho)x -0.3764178E-17 GRAD(Rho)y -0.3165712E-17 GRAD(Rho)z 0.2140213E-17 Laplacian 0.1864094E-01 (-1/4)Del**2(Rho)) -0.4660234E-02 Diamond 0.4155758E-03 Metallicity 0.4604720E+00 Ellipticity -0.4356889E+01 Gb(Abramov) 0.3464474E-02 Vb(Abramov) -0.2268714E-02 Hb(Abramov) 0.1195760E-02 Ex_ueg -0.5555177E-03 Ec_ueg -0.1272512E-03 Delta_ex -0.9453028E-03 Delta_ec 0.6501837E-03 Delta_et -0.3404705E-02 Pxc 0.4365522E+01 Qxc -0.1453901E+01 3,+1 143 3 -1 -1.977587 0.852444 2.968332 Rho 0.1475907E+00 |GRAD(Rho)| 0.4045206E-15 GRAD(Rho)x -0.2583383E-15 GRAD(Rho)y -0.2823534E-15 GRAD(Rho)z -0.1310529E-15 Laplacian 0.5887640E+00 (-1/4)Del**2(Rho)) -0.1471910E+00 Diamond 0.1174897E+01 Metallicity 0.4824329E+01 Ellipticity 0.2981080E-01 Gb(Abramov) 0.2164770E+00 Vb(Abramov) -0.2857629E+00 Hb(Abramov) -0.6928597E-01 Ex_ueg -0.5760547E-01 Ec_ueg -0.8289463E-02 Delta_ex -0.6302512E-01 Delta_ec 0.1508464E-01 Delta_et -0.2005444E+00 Pxc 0.6949240E+01 Qxc -0.4178100E+01 3,-1 144 3 -1 0.092847 -3.221822 -3.164296 Rho 0.2585811E+00 |GRAD(Rho)| 0.6396613E-13 GRAD(Rho)x -0.1147614E-13 GRAD(Rho)y 0.4752915E-13 GRAD(Rho)z 0.4124251E-13 Laplacian 0.9332749E+00 (-1/4)Del**2(Rho)) -0.2333187E+00 Diamond 0.3600495E+01 Metallicity 0.7749345E+01 Ellipticity 0.3545674E-02 Gb(Abramov) 0.4568903E+00 Vb(Abramov) -0.6804619E+00 Hb(Abramov) -0.2235716E+00 Ex_ueg -0.1216692E+00 Ec_ueg -0.1573302E-01 Delta_ex -0.1149361E+00 Delta_ec 0.2006902E-01 Delta_et -0.2780526E+00 Pxc 0.7733368E+01 Qxc -0.5727041E+01 3,-1 145 3 -1 0.583994 -2.781685 -1.776212 Rho 0.1389374E+00 |GRAD(Rho)| 0.1907473E-13 GRAD(Rho)x -0.1200758E-13 GRAD(Rho)y 0.2792180E-14 GRAD(Rho)z -0.1455566E-13 Laplacian 0.5844541E+00 (-1/4)Del**2(Rho)) -0.1461135E+00 Diamond 0.1090968E+01 Metallicity 0.4394352E+01 Ellipticity 0.1944413E-01 Gb(Abramov) 0.2044214E+00 Vb(Abramov) -0.2627293E+00 Hb(Abramov) -0.5830787E-01 Ex_ueg -0.5314683E-01 Ec_ueg -0.7739155E-02 Delta_ex -0.6171790E-01 Delta_ec 0.1532152E-01 Delta_et -0.2021321E+00 Pxc 0.6867265E+01 Qxc -0.4028183E+01 3,-1 146 3 -1 -0.070544 -3.185513 3.214802 Rho 0.2596411E+00 |GRAD(Rho)| 0.5597659E-10 GRAD(Rho)x -0.8446908E-11 GRAD(Rho)y -0.3971027E-10 GRAD(Rho)z 0.3853729E-10 Laplacian 0.9255397E+00 (-1/4)Del**2(Rho)) -0.2313849E+00 Diamond 0.3599598E+01 Metallicity 0.7867571E+01 Ellipticity 0.2882290E-02 Gb(Abramov) 0.4576628E+00 Vb(Abramov) -0.6839407E+00 Hb(Abramov) -0.2262779E+00 Ex_ueg -0.1223347E+00 Ec_ueg -0.1580741E-01 Delta_ex -0.1141606E+00 Delta_ec 0.1997429E-01 Delta_et -0.2772258E+00 Pxc 0.7739076E+01 Qxc -0.5715378E+01 3,-1 147 3 -1 0.832397 -2.940173 1.987729 Rho 0.1286681E+00 |GRAD(Rho)| 0.3211269E-15 GRAD(Rho)x 0.2266389E-15 GRAD(Rho)y -0.1268313E-15 GRAD(Rho)z -0.1888680E-15 Laplacian 0.5211844E+00 (-1/4)Del**2(Rho)) -0.1302961E+00 Diamond 0.8868310E+00 Metallicity 0.4335842E+01 Ellipticity 0.3325593E-01 Gb(Abramov) 0.1810213E+00 Vb(Abramov) -0.2317465E+00 Hb(Abramov) -0.5072519E-01 Ex_ueg -0.4797479E-01 Ec_ueg -0.7092298E-02 Delta_ex -0.5402269E-01 Delta_ec 0.1390963E-01 Delta_et -0.1812401E+00 Pxc 0.6764351E+01 Qxc -0.3883835E+01 3,-1 148 3 -1 0.587258 -1.818623 -2.760376 Rho 0.1409031E+00 |GRAD(Rho)| 0.2903192E-12 GRAD(Rho)x -0.1898147E-12 GRAD(Rho)y -0.2139228E-12 GRAD(Rho)z 0.4992641E-13 Laplacian 0.5967391E+00 (-1/4)Del**2(Rho)) -0.1491848E+00 Diamond 0.1125499E+01 Metallicity 0.4405850E+01 Ellipticity 0.8164410E-02 Gb(Abramov) 0.2090042E+00 Vb(Abramov) -0.2688235E+00 Hb(Abramov) -0.5981938E-01 Ex_ueg -0.5415176E-01 Ec_ueg -0.7863751E-02 Delta_ex -0.6315084E-01 Delta_ec 0.1544821E-01 Delta_et -0.2039493E+00 Pxc 0.6886251E+01 Qxc -0.4087907E+01 3,-1 149 3 -1 1.821696 2.783897 0.578613 Rho 0.1418106E+00 |GRAD(Rho)| 0.3747323E-15 GRAD(Rho)x -0.2840203E-15 GRAD(Rho)y 0.9123561E-16 GRAD(Rho)z 0.2267880E-15 Laplacian 0.5956368E+00 (-1/4)Del**2(Rho)) -0.1489092E+00 Diamond 0.1132793E+01 Metallicity 0.4461485E+01 Ellipticity 0.1253336E-01 Gb(Abramov) 0.2099988E+00 Vb(Abramov) -0.2710885E+00 Hb(Abramov) -0.6108963E-01 Ex_ueg -0.5461727E-01 Ec_ueg -0.7921353E-02 Delta_ex -0.6314010E-01 Delta_ec 0.1540853E-01 Delta_et -0.2036490E+00 Pxc 0.6894942E+01 Qxc -0.4097737E+01 3,-1 150 3 -1 -4.294194 3.776448 -0.782400 Rho 0.3252814E+00 |GRAD(Rho)| 0.2047624E-13 GRAD(Rho)x 0.1610804E-13 GRAD(Rho)y -0.1138008E-13 GRAD(Rho)z 0.5504660E-14 Laplacian -0.1824365E+01 (-1/4)Del**2(Rho)) 0.4560914E+00 Diamond 0.6360409E+01 Metallicity -0.5811211E+01 Ellipticity 0.2090738E-02 Gb(Abramov) 0.1376796E+00 Vb(Abramov) -0.7314507E+00 Hb(Abramov) -0.5937710E+00 Ex_ueg -0.1652205E+00 Ec_ueg -0.2053416E-01 Delta_ex 0.1833503E+00 Delta_ec 0.6275123E-01 Delta_et -0.1502936E+01 Pxc 0.8046129E+01 Qxc 0.2921859E+01 3,-1 151 3 +1 -2.087201 -1.315325 -1.071032 Rho 0.2426653E-01 |GRAD(Rho)| 0.3224846E-16 GRAD(Rho)x -0.2628777E-16 GRAD(Rho)y -0.1716203E-16 GRAD(Rho)z -0.7374344E-17 Laplacian 0.9735307E-01 (-1/4)Del**2(Rho)) -0.2433827E-01 Diamond 0.1310077E-01 Metallicity 0.1439714E+01 Ellipticity -0.4838538E+01 Gb(Abramov) 0.2206554E-01 Vb(Abramov) -0.1979281E-01 Hb(Abramov) 0.2272730E-02 Ex_ueg -0.5188741E-02 Ec_ueg -0.1051856E-02 Delta_ex -0.6106291E-02 Delta_ec 0.1829435E-02 Delta_et -0.1598648E-01 Pxc 0.4932936E+01 Qxc -0.3337801E+01 3,+1 152 3 -1 -1.949850 -0.873197 -3.024108 Rho 0.1445857E+00 |GRAD(Rho)| 0.2228242E-11 GRAD(Rho)x 0.1143909E-11 GRAD(Rho)y -0.1641537E-11 GRAD(Rho)z -0.9807607E-12 Laplacian 0.5702695E+00 (-1/4)Del**2(Rho)) -0.1425674E+00 Diamond 0.1098827E+01 Metallicity 0.4812922E+01 Ellipticity 0.5262283E-01 Gb(Abramov) 0.2094059E+00 Vb(Abramov) -0.2762443E+00 Hb(Abramov) -0.6683848E-01 Ex_ueg -0.5604700E-01 Ec_ueg -0.8097830E-02 Delta_ex -0.6061974E-01 Delta_ec 0.1447211E-01 Delta_et -0.1913656E+00 Pxc 0.6921237E+01 Qxc -0.4188729E+01 3,-1 153 3 -1 0.821721 -1.954393 2.982679 Rho 0.1441969E+00 |GRAD(Rho)| 0.3391588E-15 GRAD(Rho)x -0.1671027E-15 GRAD(Rho)y -0.1125673E-15 GRAD(Rho)z -0.2728259E-15 Laplacian 0.5778762E+00 (-1/4)Del**2(Rho)) -0.1444690E+00 Diamond 0.1119583E+01 Metallicity 0.4728297E+01 Ellipticity 0.2651330E-01 Gb(Abramov) 0.2101615E+00 Vb(Abramov) -0.2758539E+00 Hb(Abramov) -0.6569241E-01 Ex_ueg -0.5584610E-01 Ec_ueg -0.8073071E-02 Delta_ex -0.6148960E-01 Delta_ec 0.1485664E-01 Delta_et -0.1967736E+00 Pxc 0.6917578E+01 Qxc -0.4138863E+01 3,-1 154 3 +3 0.013091 0.002924 -2.376180 Rho 0.4607104E-02 |GRAD(Rho)| 0.3855448E-17 GRAD(Rho)x -0.3802338E-17 GRAD(Rho)y 0.6322774E-18 GRAD(Rho)z -0.8324870E-19 Laplacian 0.1904389E-01 (-1/4)Del**2(Rho)) -0.4760971E-02 Diamond 0.1863642E-03 Metallicity 0.4615701E+00 Ellipticity -0.3104738E+00 Gb(Abramov) 0.3540235E-02 Vb(Abramov) -0.2319498E-02 Hb(Abramov) 0.1220737E-02 Ex_ueg -0.5661816E-03 Ec_ueg -0.1300443E-03 Delta_ex -0.7130834E-03 Delta_ec 0.2086376E-03 Delta_et -0.1264939E-02 Pxc 0.4353761E+01 Qxc -0.3417808E+01 3,+3 155 3 -1 2.983740 1.963400 -0.831593 Rho 0.1425393E+00 |GRAD(Rho)| 0.5462438E-12 GRAD(Rho)x 0.4231481E-12 GRAD(Rho)y 0.3453733E-12 GRAD(Rho)z 0.6725536E-14 Laplacian 0.5677643E+00 (-1/4)Del**2(Rho)) -0.1419411E+00 Diamond 0.1088288E+01 Metallicity 0.4720662E+01 Ellipticity 0.2495665E-01 Gb(Abramov) 0.2063034E+00 Vb(Abramov) -0.2706656E+00 Hb(Abramov) -0.6436228E-01 Ex_ueg -0.5499181E-01 Ec_ueg -0.7967647E-02 Delta_ex -0.6028030E-01 Delta_ec 0.1470405E-01 Delta_et -0.1945613E+00 Pxc 0.6901888E+01 Qxc -0.4099573E+01 3,-1 156 3 -1 3.213617 3.196130 0.059405 Rho 0.2587104E+00 |GRAD(Rho)| 0.3093491E-14 GRAD(Rho)x -0.2079066E-14 GRAD(Rho)y 0.8259452E-15 GRAD(Rho)z -0.2136583E-14 Laplacian 0.9244446E+00 (-1/4)Del**2(Rho)) -0.2311112E+00 Diamond 0.3575031E+01 Metallicity 0.7829884E+01 Ellipticity 0.1203110E-02 Gb(Abramov) 0.4556697E+00 Vb(Abramov) -0.6802282E+00 Hb(Abramov) -0.2245585E+00 Ex_ueg -0.1217503E+00 Ec_ueg -0.1574209E-01 Delta_ex -0.1138947E+00 Delta_ec 0.1993157E-01 Delta_et -0.2764205E+00 Pxc 0.7734066E+01 Qxc -0.5714285E+01 3,-1 157 3 -1 3.924642 -4.374220 0.207727 Rho 0.3243152E+00 |GRAD(Rho)| 0.3338292E-12 GRAD(Rho)x 0.2895142E-12 GRAD(Rho)y 0.1610666E-12 GRAD(Rho)z 0.4100040E-13 Laplacian -0.1815220E+01 (-1/4)Del**2(Rho)) 0.4538050E+00 Diamond 0.6304278E+01 Metallicity -0.5811605E+01 Ellipticity 0.2372353E-02 Gb(Abramov) 0.1370193E+00 Vb(Abramov) -0.7278436E+00 Hb(Abramov) -0.5908243E+00 Ex_ueg -0.1645665E+00 Ec_ueg -0.2046285E-01 Delta_ex 0.1822252E+00 Delta_ec 0.6242534E-01 Delta_et -0.1493345E+01 Pxc 0.8042208E+01 Qxc 0.2919091E+01 3,-1 158 3 -1 -2.783591 -0.562928 1.817989 Rho 0.1427089E+00 |GRAD(Rho)| 0.4269251E-09 GRAD(Rho)x -0.9337256E-10 GRAD(Rho)y -0.2815379E-09 GRAD(Rho)z -0.3070554E-09 Laplacian 0.6003404E+00 (-1/4)Del**2(Rho)) -0.1500851E+00 Diamond 0.1148806E+01 Metallicity 0.4473360E+01 Ellipticity 0.1016238E-01 Gb(Abramov) 0.2119542E+00 Vb(Abramov) -0.2738232E+00 Hb(Abramov) -0.6186907E-01 Ex_ueg -0.5507903E-01 Ec_ueg -0.7978422E-02 Delta_ex -0.6371944E-01 Delta_ec 0.1547539E-01 Delta_et -0.2046598E+00 Pxc 0.6903500E+01 Qxc -0.4117469E+01 3,-1 159 3 -1 -1.772166 2.757519 -0.582448 Rho 0.1547331E+00 |GRAD(Rho)| 0.2003879E-15 GRAD(Rho)x 0.1554746E-15 GRAD(Rho)y 0.3043898E-16 GRAD(Rho)z 0.1227046E-15 Laplacian 0.6495184E+00 (-1/4)Del**2(Rho)) -0.1623796E+00 Diamond 0.1359587E+01 Metallicity 0.4731445E+01 Ellipticity 0.1929284E-01 Gb(Abramov) 0.2363014E+00 Vb(Abramov) -0.3102232E+00 Hb(Abramov) -0.7392182E-01 Ex_ueg -0.6135209E-01 Ec_ueg -0.8747186E-02 Delta_ex -0.7022391E-01 Delta_ec 0.1623815E-01 Delta_et -0.2168039E+00 Pxc 0.7013923E+01 Qxc -0.4324625E+01 3,-1 160 3 +1 -1.979877 1.994573 1.994141 Rho 0.1275465E-01 |GRAD(Rho)| 0.1237325E-12 GRAD(Rho)x -0.3091534E-13 GRAD(Rho)y -0.1129328E-12 GRAD(Rho)z 0.4000193E-13 Laplacian 0.6165960E-01 (-1/4)Del**2(Rho)) -0.1541490E-01 Diamond 0.2298847E-02 Metallicity 0.7781441E+00 Ellipticity -0.1177379E+01 Gb(Abramov) 0.1227577E-01 Vb(Abramov) -0.9136637E-02 Hb(Abramov) 0.3139131E-02 Ex_ueg -0.2200948E-02 Ec_ueg -0.4945174E-03 Delta_ex -0.2976876E-02 Delta_ec 0.6160234E-03 Delta_et -0.4825236E-02 Pxc 0.4450699E+01 Qxc -0.4832408E+01 3,+1 161 3 +1 -0.525868 0.533123 -1.701298 Rho 0.9012692E-02 |GRAD(Rho)| 0.1615843E-12 GRAD(Rho)x -0.2314628E-13 GRAD(Rho)y 0.1166397E-12 GRAD(Rho)z -0.1094025E-12 Laplacian 0.3759760E-01 (-1/4)Del**2(Rho)) -0.9399399E-02 Diamond 0.1152791E-02 Metallicity 0.7153918E+00 Ellipticity -0.1470946E+01 Gb(Abramov) 0.7386975E-02 Vb(Abramov) -0.5374551E-02 Hb(Abramov) 0.2012424E-02 Ex_ueg -0.1385238E-02 Ec_ueg -0.3234827E-03 Delta_ex -0.1772113E-02 Delta_ec 0.5896975E-03 Delta_et -0.4030818E-02 Pxc 0.4282263E+01 Qxc -0.3005123E+01 3,+1 162 3 +3 -1.795649 1.816626 1.825798 Rho 0.1237028E-01 |GRAD(Rho)| 0.2155098E-13 GRAD(Rho)x 0.1136050E-13 GRAD(Rho)y -0.1268370E-13 GRAD(Rho)z -0.1321013E-13 Laplacian 0.5761296E-01 (-1/4)Del**2(Rho)) -0.1440324E-01 Diamond 0.1293953E-02 Metallicity 0.7913929E+00 Ellipticity -0.6163207E+00 Gb(Abramov) 0.1150193E-01 Vb(Abramov) -0.8600621E-02 Hb(Abramov) 0.2901310E-02 Ex_ueg -0.2112959E-02 Ec_ueg -0.4766893E-03 Delta_ex -0.2545925E-02 Delta_ec 0.1964351E-03 Delta_et -0.1900649E-02 Pxc 0.4432571E+01 Qxc -0.1296064E+02 3,+3 163 3 -1 -0.367206 0.361043 0.320303 Rho 0.2018946E+00 |GRAD(Rho)| 0.8251586E-15 GRAD(Rho)x 0.2987295E-15 GRAD(Rho)y -0.3625051E-15 GRAD(Rho)z -0.6784080E-15 Laplacian 0.7132892E+00 (-1/4)Del**2(Rho)) -0.1783223E+00 Diamond 0.2300267E+01 Metallicity 0.6712567E+01 Ellipticity 0.1067275E-01 Gb(Abramov) 0.3183816E+00 Vb(Abramov) -0.4584409E+00 Hb(Abramov) -0.1400593E+00 Ex_ueg -0.8747513E-01 Ec_ueg -0.1184490E-01 Delta_ex -0.8409606E-01 Delta_ec 0.1956071E-01 Delta_et -0.2789393E+00 Pxc 0.7385045E+01 Qxc -0.4299233E+01 3,-1 164 3 -1 0.370779 0.364353 -0.394650 Rho 0.2033654E+00 |GRAD(Rho)| 0.2395249E-15 GRAD(Rho)x 0.9656225E-16 GRAD(Rho)y 0.1125127E-15 GRAD(Rho)z -0.1881191E-15 Laplacian 0.7385241E+00 (-1/4)Del**2(Rho)) -0.1846310E+00 Diamond 0.2401226E+01 Metallicity 0.6562111E+01 Ellipticity 0.1713609E-02 Gb(Abramov) 0.3250155E+00 Vb(Abramov) -0.4654001E+00 Hb(Abramov) -0.1403845E+00 Ex_ueg -0.8832584E-01 Ec_ueg -0.1194354E-01 Delta_ex -0.8721970E-01 Delta_ec 0.2020018E-01 Delta_et -0.2882811E+00 Pxc 0.7395279E+01 Qxc -0.4317768E+01 3,-1 165 3 +1 1.202947 -1.137840 2.099315 Rho 0.2460855E-01 |GRAD(Rho)| 0.2889954E-16 GRAD(Rho)x 0.2048272E-16 GRAD(Rho)y 0.1713952E-16 GRAD(Rho)z -0.1103985E-16 Laplacian 0.9933496E-01 (-1/4)Del**2(Rho)) -0.2483374E-01 Diamond 0.1435247E-01 Metallicity 0.1444290E+01 Ellipticity -0.8938844E+01 Gb(Abramov) 0.2253368E-01 Vb(Abramov) -0.2023362E-01 Hb(Abramov) 0.2300059E-02 Ex_ueg -0.5286479E-02 Ec_ueg -0.1069026E-02 Delta_ex -0.6333996E-02 Delta_ec 0.2010357E-02 Delta_et -0.1759845E-01 Pxc 0.4945137E+01 Qxc -0.3150682E+01 3,+1 166 3 -1 1.695452 -0.475497 1.695297 Rho 0.3589443E-01 |GRAD(Rho)| 0.5545736E-16 GRAD(Rho)x -0.3693307E-16 GRAD(Rho)y -0.3350640E-16 GRAD(Rho)z -0.2426495E-16 Laplacian 0.1404955E+00 (-1/4)Del**2(Rho)) -0.3512388E-01 Diamond 0.4430573E-01 Metallicity 0.1915707E+01 Ellipticity 0.2026504E-01 Gb(Abramov) 0.3463043E-01 Vb(Abramov) -0.3413699E-01 Hb(Abramov) 0.4934467E-03 Ex_ueg -0.8744894E-02 Ec_ueg -0.1651468E-02 Delta_ex -0.1057709E-01 Delta_ec 0.4066506E-02 Delta_et -0.3923751E-01 Pxc 0.5295223E+01 Qxc -0.2601027E+01 3,-1 167 3 -1 2.781026 0.596019 1.841058 Rho 0.1453457E+00 |GRAD(Rho)| 0.1721893E-15 GRAD(Rho)x 0.2705084E-16 GRAD(Rho)y -0.1300094E-15 GRAD(Rho)z -0.1096128E-15 Laplacian 0.6151846E+00 (-1/4)Del**2(Rho)) -0.1537961E+00 Diamond 0.1202266E+01 Metallicity 0.4500680E+01 Ellipticity 0.7575354E-02 Gb(Abramov) 0.2178953E+00 Vb(Abramov) -0.2819944E+00 Hb(Abramov) -0.6409915E-01 Ex_ueg -0.5644013E-01 Ec_ueg -0.8146242E-02 Delta_ex -0.6557603E-01 Delta_ec 0.1576621E-01 Delta_et -0.2090215E+00 Pxc 0.6928365E+01 Qxc -0.4159276E+01 3,-1 168 3 -1 -1.674604 1.672815 0.452978 Rho 0.4600096E-01 |GRAD(Rho)| 0.9194724E-13 GRAD(Rho)x -0.6200236E-13 GRAD(Rho)y 0.6252788E-13 GRAD(Rho)z -0.2646255E-13 Laplacian 0.1835460E+00 (-1/4)Del**2(Rho)) -0.4588650E-01 Diamond 0.8010938E-01 Metallicity 0.2217242E+01 Ellipticity 0.1745835E-01 Gb(Abramov) 0.4754791E-01 Vb(Abramov) -0.4920932E-01 Hb(Abramov) -0.1661410E-02 Ex_ueg -0.1217328E-01 Ec_ueg -0.2195044E-02 Delta_ex -0.1465239E-01 Delta_ec 0.5217212E-02 Delta_et -0.5376720E-01 Pxc 0.5545802E+01 Qxc -0.2808471E+01 3,-1 169 3 -1 -2.941188 1.958224 0.818417 Rho 0.1502731E+00 |GRAD(Rho)| 0.2015686E-12 GRAD(Rho)x -0.5577393E-14 GRAD(Rho)y 0.6005123E-13 GRAD(Rho)z 0.1923347E-12 Laplacian 0.5931414E+00 (-1/4)Del**2(Rho)) -0.1482854E+00 Diamond 0.1205472E+01 Metallicity 0.4934657E+01 Ellipticity 0.2436630E-01 Gb(Abramov) 0.2208131E+00 Vb(Abramov) -0.2933409E+00 Hb(Abramov) -0.7252778E-01 Ex_ueg -0.5900562E-01 Ec_ueg -0.8460999E-02 Delta_ex -0.6373466E-01 Delta_ec 0.1505750E-01 Delta_et -0.2005303E+00 Pxc 0.6973836E+01 Qxc -0.4232751E+01 3,-1 170 3 -1 -3.192978 3.183831 -0.108830 Rho 0.1812082E+00 |GRAD(Rho)| 0.6098246E-12 GRAD(Rho)x 0.4450475E-12 GRAD(Rho)y -0.3843164E-12 GRAD(Rho)z 0.1616155E-12 Laplacian 0.6958574E+00 (-1/4)Del**2(Rho)) -0.1739644E+00 Diamond 0.1800302E+01 Metallicity 0.5746313E+01 Ellipticity 0.1150811E+00 Gb(Abramov) 0.2825852E+00 Vb(Abramov) -0.3912060E+00 Hb(Abramov) -0.1086208E+00 Ex_ueg -0.7573364E-01 Ec_ueg -0.1047040E-01 Delta_ex -0.7856611E-01 Delta_ec 0.1724778E-01 Delta_et -0.2362372E+00 Pxc 0.7233118E+01 Qxc -0.4555143E+01 3,-1 171 3 -1 -0.350224 -0.370332 -0.403377 Rho 0.2067667E+00 |GRAD(Rho)| 0.3084735E-15 GRAD(Rho)x -0.2621745E-15 GRAD(Rho)y 0.1519086E-15 GRAD(Rho)z -0.5782917E-16 Laplacian 0.7725271E+00 (-1/4)Del**2(Rho)) -0.1931318E+00 Diamond 0.2552347E+01 Metallicity 0.6449118E+01 Ellipticity 0.2940552E-02 Gb(Abramov) 0.3363428E+00 Vb(Abramov) -0.4795538E+00 Hb(Abramov) -0.1432110E+00 Ex_ueg -0.9030097E-01 Ec_ueg -0.1217212E-01 Delta_ex -0.9154752E-01 Delta_ec 0.2092497E-01 Delta_et -0.2988937E+00 Pxc 0.7418673E+01 Qxc -0.4375037E+01 3,-1 172 3 -1 1.988011 0.852804 -2.995598 Rho 0.1510706E+00 |GRAD(Rho)| 0.3169109E-15 GRAD(Rho)x 0.2127611E-15 GRAD(Rho)y -0.2147533E-15 GRAD(Rho)z 0.9511164E-16 Laplacian 0.6000011E+00 (-1/4)Del**2(Rho)) -0.1500003E+00 Diamond 0.1232851E+01 Metallicity 0.4921467E+01 Ellipticity 0.3464892E-01 Gb(Abramov) 0.2230371E+00 Vb(Abramov) -0.2960739E+00 Hb(Abramov) -0.7303680E-01 Ex_ueg -0.5942353E-01 Ec_ueg -0.8512085E-02 Delta_ex -0.6461157E-01 Delta_ec 0.1531133E-01 Delta_et -0.2042925E+00 Pxc 0.6981078E+01 Qxc -0.4219853E+01 3,-1 173 3 -1 3.208281 -3.180101 -0.031809 Rho 0.1814161E+00 |GRAD(Rho)| 0.5376008E-13 GRAD(Rho)x -0.3542425E-13 GRAD(Rho)y 0.4013760E-13 GRAD(Rho)z 0.4923667E-14 Laplacian 0.6916881E+00 (-1/4)Del**2(Rho)) -0.1729220E+00 Diamond 0.1793428E+01 Metallicity 0.5792008E+01 Ellipticity 0.1203326E+00 Gb(Abramov) 0.2822090E+00 Vb(Abramov) -0.3914959E+00 Hb(Abramov) -0.1092870E+00 Ex_ueg -0.7584951E-01 Ec_ueg -0.1048409E-01 Delta_ex -0.7812901E-01 Delta_ec 0.1715928E-01 Delta_et -0.2351138E+00 Pxc 0.7234723E+01 Qxc -0.4553164E+01 3,-1 174 3 -1 -0.601720 -1.798461 2.806432 Rho 0.1508778E+00 |GRAD(Rho)| 0.1484847E-15 GRAD(Rho)x 0.1320829E-15 GRAD(Rho)y 0.1775381E-16 GRAD(Rho)z 0.6547226E-16 Laplacian 0.6382704E+00 (-1/4)Del**2(Rho)) -0.1595676E+00 Diamond 0.1307141E+01 Metallicity 0.4616546E+01 Ellipticity 0.8748197E-02 Gb(Abramov) 0.2291536E+00 Vb(Abramov) -0.2987396E+00 Hb(Abramov) -0.6958600E-01 Ex_ueg -0.5932240E-01 Ec_ueg -0.8499727E-02 Delta_ex -0.6868801E-01 Delta_ec 0.1625192E-01 Delta_et -0.2167086E+00 Pxc 0.6979330E+01 Qxc -0.4226456E+01 3,-1 175 3 -1 2.786332 1.815547 0.591708 Rho 0.1414812E+00 |GRAD(Rho)| 0.3636662E-15 GRAD(Rho)x -0.1240260E-15 GRAD(Rho)y 0.3418489E-15 GRAD(Rho)z -0.3157739E-17 Laplacian 0.6001256E+00 (-1/4)Del**2(Rho)) -0.1500314E+00 Diamond 0.1138182E+01 Metallicity 0.4410985E+01 Ellipticity 0.1003866E-01 Gb(Abramov) 0.2103186E+00 Vb(Abramov) -0.2706059E+00 Hb(Abramov) -0.6028723E-01 Ex_ueg -0.5444818E-01 Ec_ueg -0.7900438E-02 Delta_ex -0.6358029E-01 Delta_ec 0.1553414E-01 Delta_et -0.2052391E+00 Pxc 0.6891792E+01 Qxc -0.4092938E+01 3,-1 176 3 -1 -2.732937 1.788882 -0.577815 Rho 0.1751116E+00 |GRAD(Rho)| 0.4590608E-15 GRAD(Rho)x 0.5242118E-16 GRAD(Rho)y 0.1028637E-15 GRAD(Rho)z 0.4443061E-15 Laplacian 0.7410521E+00 (-1/4)Del**2(Rho)) -0.1852630E+00 Diamond 0.1787602E+01 Metallicity 0.5096702E+01 Ellipticity 0.1579950E-01 Gb(Abramov) 0.2808804E+00 Vb(Abramov) -0.3764978E+00 Hb(Abramov) -0.9561741E-01 Ex_ueg -0.7235551E-01 Ec_ueg -0.1006996E-01 Delta_ex -0.8253072E-01 Delta_ec 0.1777313E-01 Delta_et -0.2403540E+00 Pxc 0.7185285E+01 Qxc -0.4643566E+01 3,-1 177 3 -1 -0.825296 2.962727 1.967698 Rho 0.1220861E+00 |GRAD(Rho)| 0.6686411E-13 GRAD(Rho)x 0.2914219E-13 GRAD(Rho)y 0.2716813E-13 GRAD(Rho)z 0.5369763E-13 Laplacian 0.4883598E+00 (-1/4)Del**2(Rho)) -0.1220900E+00 Diamond 0.7706449E+00 Metallicity 0.4239522E+01 Ellipticity 0.4817899E-01 Gb(Abramov) 0.1676605E+00 Vb(Abramov) -0.2132310E+00 Hb(Abramov) -0.4557053E-01 Ex_ueg -0.4473080E-01 Ec_ueg -0.6681378E-02 Delta_ex -0.4986389E-01 Delta_ec 0.1297293E-01 Delta_et -0.1671573E+00 Pxc 0.6694846E+01 Qxc -0.3843687E+01 3,-1 178 3 -1 1.965472 -2.920082 0.852465 Rho 0.1636662E+00 |GRAD(Rho)| 0.1460704E-13 GRAD(Rho)x 0.9211544E-14 GRAD(Rho)y 0.4481916E-14 GRAD(Rho)z -0.1041276E-13 Laplacian 0.6548332E+00 (-1/4)Del**2(Rho)) -0.1637083E+00 Diamond 0.1476922E+01 Metallicity 0.5153245E+01 Ellipticity 0.3444969E-01 Gb(Abramov) 0.2497437E+00 Vb(Abramov) -0.3357791E+00 Hb(Abramov) -0.8603540E-01 Ex_ueg -0.6611962E-01 Ec_ueg -0.9324011E-02 Delta_ex -0.7188547E-01 Delta_ec 0.1630781E-01 Delta_et -0.2197317E+00 Pxc 0.7091328E+01 Qxc -0.4408041E+01 3,-1 179 3 -1 1.795248 -2.748085 -0.535604 Rho 0.1521845E+00 |GRAD(Rho)| 0.1451521E-12 GRAD(Rho)x 0.1089263E-12 GRAD(Rho)y 0.2114088E-13 GRAD(Rho)z 0.9358012E-13 Laplacian 0.6391199E+00 (-1/4)Del**2(Rho)) -0.1597800E+00 Diamond 0.1308650E+01 Metallicity 0.4677152E+01 Ellipticity 0.2296428E-01 Gb(Abramov) 0.2310725E+00 Vb(Abramov) -0.3023651E+00 Hb(Abramov) -0.7129256E-01 Ex_ueg -0.6000843E-01 Ec_ueg -0.8583500E-02 Delta_ex -0.6879002E-01 Delta_ec 0.1599693E-01 Delta_et -0.2129970E+00 Pxc 0.6991138E+01 Qxc -0.4300201E+01 3,-1 180 3 -1 -2.733414 0.551230 -1.835278 Rho 0.1049508E+00 |GRAD(Rho)| 0.1169990E-12 GRAD(Rho)x -0.2448220E-13 GRAD(Rho)y 0.7621386E-13 GRAD(Rho)z 0.8532775E-13 Laplacian 0.4344187E+00 (-1/4)Del**2(Rho)) -0.1086047E+00 Diamond 0.5746517E+00 Metallicity 0.3704087E+01 Ellipticity 0.2219965E-01 Gb(Abramov) 0.1394500E+00 Vb(Abramov) -0.1702953E+00 Hb(Abramov) -0.3084530E-01 Ex_ueg -0.3656225E-01 Ec_ueg -0.5625920E-02 Delta_ex -0.4284695E-01 Delta_ec 0.1203989E-01 Delta_et -0.1510531E+00 Pxc 0.6498893E+01 Qxc -0.3558751E+01 3,-1 181 3 -1 -0.819624 1.992782 2.964555 Rho 0.1320981E+00 |GRAD(Rho)| 0.1775022E-14 GRAD(Rho)x 0.1264857E-14 GRAD(Rho)y 0.1119642E-14 GRAD(Rho)z -0.5451978E-15 Laplacian 0.5265399E+00 (-1/4)Del**2(Rho)) -0.1316350E+00 Diamond 0.9084828E+00 Metallicity 0.4484112E+01 Ellipticity 0.3564566E-01 Gb(Abramov) 0.1861343E+00 Vb(Abramov) -0.2406336E+00 Hb(Abramov) -0.5449933E-01 Ex_ueg -0.4968752E-01 Ec_ueg -0.7307586E-02 Delta_ex -0.5473259E-01 Delta_ec 0.1362291E-01 Delta_et -0.1776303E+00 Pxc 0.6799445E+01 Qxc -0.4017688E+01 3,-1 182 3 -1 -0.549973 1.811938 -2.785552 Rho 0.1449552E+00 |GRAD(Rho)| 0.4694268E-09 GRAD(Rho)x 0.3087259E-09 GRAD(Rho)y 0.3385793E-09 GRAD(Rho)z 0.1020483E-09 Laplacian 0.6101159E+00 (-1/4)Del**2(Rho)) -0.1525290E+00 Diamond 0.1188954E+01 Metallicity 0.4517765E+01 Ellipticity 0.1091902E-01 Gb(Abramov) 0.2165343E+00 Vb(Abramov) -0.2805397E+00 Hb(Abramov) -0.6400534E-01 Ex_ueg -0.5623801E-01 Ec_ueg -0.8121357E-02 Delta_ex -0.6499754E-01 Delta_ec 0.1565488E-01 Delta_et -0.2074824E+00 Pxc 0.6924706E+01 Qxc -0.4151903E+01 3,-1 183 3 -1 -3.156133 0.040438 -3.228409 Rho 0.2481284E+00 |GRAD(Rho)| 0.4975036E-14 GRAD(Rho)x 0.3358858E-14 GRAD(Rho)y -0.1001396E-14 GRAD(Rho)z 0.3530759E-14 Laplacian 0.8746699E+00 (-1/4)Del**2(Rho)) -0.2186675E+00 Diamond 0.3245810E+01 Metallicity 0.7719038E+01 Ellipticity 0.4229615E-02 Gb(Abramov) 0.4270954E+00 Vb(Abramov) -0.6355234E+00 Hb(Abramov) -0.2084279E+00 Ex_ueg -0.1151561E+00 Ec_ueg -0.1500282E-01 Delta_ex -0.1067344E+00 Delta_ec 0.1936530E-01 Delta_et -0.2695869E+00 Pxc 0.7675634E+01 Qxc -0.5511630E+01 3,-1 184 3 -1 0.369996 -0.363164 0.328835 Rho 0.1991994E+00 |GRAD(Rho)| 0.1380172E-11 GRAD(Rho)x -0.8034388E-12 GRAD(Rho)y 0.7872426E-12 GRAD(Rho)z -0.7997561E-12 Laplacian 0.6877163E+00 (-1/4)Del**2(Rho)) -0.1719291E+00 Diamond 0.2188316E+01 Metallicity 0.6807963E+01 Ellipticity 0.1030986E-01 Gb(Abramov) 0.3097005E+00 Vb(Abramov) -0.4474719E+00 Hb(Abramov) -0.1377714E+00 Ex_ueg -0.8592160E-01 Ec_ueg -0.1166446E-01 Delta_ex -0.8085268E-01 Delta_ec 0.1899737E-01 Delta_et -0.2706487E+00 Pxc 0.7366105E+01 Qxc -0.4255992E+01 3,-1 185 3 -1 1.812794 -0.571174 -2.774519 Rho 0.1457345E+00 |GRAD(Rho)| 0.5881576E-15 GRAD(Rho)x 0.3066124E-15 GRAD(Rho)y 0.4955753E-15 GRAD(Rho)z 0.7951945E-16 Laplacian 0.6165713E+00 (-1/4)Del**2(Rho)) -0.1541428E+00 Diamond 0.1208065E+01 Metallicity 0.4510597E+01 Ellipticity 0.1010772E-01 Gb(Abramov) 0.2186412E+00 Vb(Abramov) -0.2831397E+00 Hb(Abramov) -0.6449842E-01 Ex_ueg -0.5664154E-01 Ec_ueg -0.8171025E-02 Delta_ex -0.6575872E-01 Delta_ec 0.1577688E-01 Delta_et -0.2092118E+00 Pxc 0.6932000E+01 Qxc -0.4168043E+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 78 128 174 75 153 147 146 71 148 145 130 74 144 85 182 77 84 94 76 83 82 81 181 177 80 134 104 179 105 178 173 103 175 149 155 89 156 168 176 159 169 61 170 66 122 125 121 123 118 56 180 141 137 152 183 138 158 57 139 143 140 166 167 102 113 111 117 96 114 185 115 172 116 184 171 164 163 157 150 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 45 47 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 55 54 2.501518 1.908371 1.920895 1.936683 1.979325 1.714528 2.429287 1.935988 1.941723 1.955154 1.922498 1.715863 2.457867 1.925499 1.949868 1.943538 1.933410 1.715188 2.537018 1.926382 1.925933 1.947917 1.978854 1.703373 2.390335 1.874146 1.907216 1.904308 1.888104 1.846129 2.472167 1.933603 1.933785 1.941851 1.939140 1.715901 2.396360 1.852211 1.900594 1.922699 1.898509 1.845809 2.495267 1.927204 1.940546 1.959771 1.960267 1.705280 2.465704 2.031913 1.938641 1.924347 1.912041 1.704309 2.497259 1.931483 1.937755 1.939463 1.928213 1.715114 2.512782 1.923538 1.919885 1.957136 1.936117 1.714670 2.448993 1.990038 1.922576 1.930847 1.918592 1.714765 1.564886 1.546951 1.554441 1.558724 0.983802 0.983167 2.502489 1.908715 1.921299 1.937352 1.979686 1.714530 2.430367 1.936349 1.942120 1.955826 1.923186 1.715865 2.458858 1.925907 1.950255 1.944225 1.934123 1.715193 2.537953 1.926891 1.926469 1.948800 1.979380 1.703380 2.391854 1.874762 1.907743 1.905155 1.889000 1.848039 2.473158 1.933959 1.934187 1.942511 1.939840 1.715907 2.397508 1.852846 1.901062 1.923493 1.899405 1.847487 2.496228 1.927719 1.941072 1.960631 1.961133 1.705288 2.466715 2.032395 1.939229 1.925190 1.912775 1.704319 2.498254 1.931892 1.938149 1.939957 1.928847 1.715119 2.513717 1.923939 1.920325 1.957588 1.936774 1.714674 2.450032 1.990448 1.922976 1.931526 1.919203 1.714767 1.564937 1.546970 1.554454 1.558770 0.984143 0.983487 29 23 23 23 23 20 28 23 23 26 26 22 29 23 23 26 26 21 29 27 26 24 23 21 28 25 24 26 23 23 29 23 23 23 27 23 28 22 23 23 25 23 29 23 25 23 23 20 29 24 23 25 23 21 29 23 25 26 23 21 29 27 26 23 23 21 28 23 23 23 23 20 21 21 21 21 19 19 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 W W W Mo W W W Mo 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 P H H 2.5455 2.5191 2.5403 2.4174 2.6622 2.5411 2.6367 2.4044 2.4070 2.5298 2.5431 2.5429 -1.0511 -1.0456 -1.0547 -1.0419 -0.9091 -0.9173 -0.8926 -0.9413 -0.9444 -0.9087 -0.9123 -0.9402 -0.9233 -0.9105 -0.9085 -0.9264 -0.9239 -0.8677 -0.9348 -0.9208 -0.9395 -0.9310 -0.9012 -0.8874 -0.8965 -0.8903 -0.9238 -0.9353 -0.6999 -0.7017 -0.7017 -0.6196 -0.6623 -0.7064 -0.6606 -0.6250 -0.6194 -0.7021 -0.7022 -0.6998 2.3711 0.3073 0.3130 2.0735 2.0817 2.0746 1.9379 2.0708 2.0780 2.0702 1.9334 1.9299 2.0751 2.0729 2.0784 1.8934 1.8932 1.8917 1.8944 1.9407 1.9418 1.9463 1.9367 1.9362 1.9410 1.9401 1.9374 1.9395 1.9405 1.9408 1.9390 1.9513 1.9548 1.9495 1.9516 1.9487 1.9505 1.9513 1.9559 1.9538 1.9542 1.9521 1.9495 1.9817 1.9811 1.9809 1.9940 1.8815 1.9804 1.8814 1.9924 1.9930 1.9814 1.9817 1.9814 2.4860 0.5951 0.5903 6.0760 6.0865 6.0776 6.0460 6.0725 6.0763 6.0841 6.0549 6.0523 6.0810 6.0773 6.0775 5.1168 5.1106 5.1214 5.1065 4.9398 4.9441 4.9159 4.9738 4.9778 4.9383 4.9441 4.9713 4.9522 4.9412 4.9390 4.9558 4.9380 4.8838 4.9516 4.9347 4.9573 4.9457 4.9186 4.8990 4.9113 4.9044 4.9372 4.9521 4.6777 4.6803 4.6805 4.5871 4.7473 4.6859 4.7460 4.5944 4.5880 4.6804 4.6801 4.6780 7.3075 0.0975 0.0967 3.2762 3.2838 3.2788 3.5987 3.1637 3.2758 3.1782 3.6073 3.6108 3.2854 3.2780 3.2725 0.0409 0.0418 0.0416 0.0410 0.0287 0.0315 0.0303 0.0307 0.0304 0.0294 0.0282 0.0314 0.0316 0.0287 0.0287 0.0316 0.0346 0.0292 0.0337 0.0346 0.0335 0.0348 0.0313 0.0326 0.0314 0.0317 0.0345 0.0337 0.0404 0.0402 0.0403 0.0385 0.0334 0.0401 0.0331 0.0382 0.0384 0.0403 0.0404 0.0404 0.8354 0.0000 0.0000 14.0287 14.0288 14.0287 0.0000 14.0308 14.0287 14.0308 0.0000 0.0000 14.0288 14.0288 14.0286 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 54 55 W W W Mo W W W Mo 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 P H H 2.531823 2.532669 2.532216 3.191910 2.585739 2.531623 2.580838 3.190171 3.187995 2.531284 2.531521 2.532490 -1.028445 -1.097410 -1.035723 -1.054265 -1.039237 -0.897850 -0.986837 -0.921988 -0.926568 -1.037451 -1.039581 -0.918207 -0.909917 -1.036665 -1.039266 -0.911671 -0.884227 -1.110731 -0.893933 -0.882456 -0.897504 -0.887777 -1.005181 -1.000895 -0.995856 -0.979927 -0.875201 -0.894106 -0.715383 -0.716569 -0.717191 -0.881162 -0.479987 -0.723767 -0.481073 -0.887120 -0.879757 -0.717311 -0.717622 -0.714885 2.006289 0.176902 0.177236 1.963298 1.968528 1.966362 2.386479 1.846085 1.962838 1.853763 2.386882 2.388650 1.969163 1.963894 1.962649 -0.765579 -0.877117 -0.780773 -0.810515 -0.787932 -0.648609 -0.746470 -0.690701 -0.689421 -0.792141 -0.791272 -0.690674 -0.658489 -0.791902 -0.791223 -0.654877 -0.681281 -0.886263 -0.715808 -0.672300 -0.713967 -0.710983 -0.802688 -0.797506 -0.800616 -0.761178 -0.670540 -0.713146 -0.585449 -0.580182 -0.587191 -0.624705 -0.607357 -0.597229 -0.601062 -0.629332 -0.617408 -0.583850 -0.588248 -0.586559 1.547198 0.459377 0.457377 2.058792 2.058265 2.059789 2.459555 2.078570 2.058201 2.101126 2.465195 2.461480 2.060527 2.060559 2.051709 -0.815535 -0.892686 -0.828810 -0.849771 -0.862360 -0.727831 -0.845136 -0.767468 -0.770858 -0.863235 -0.869196 -0.764434 -0.761627 -0.864881 -0.864886 -0.742679 -0.748316 -0.926311 -0.752422 -0.729282 -0.750376 -0.742815 -0.845667 -0.834867 -0.844788 -0.815184 -0.741291 -0.748272 -0.554947 -0.541923 -0.555824 -0.585404 -0.627314 -0.565683 -0.606422 -0.586992 -0.577070 -0.548387 -0.555917 -0.555613 1.521988 0.460912 0.475810 -2.67789605 -1.95239420 -1.09951076 3.49168931 22.04861350 -68.81934383 17.94486235 21.38460743 -9.34504455 -43.43322093 -413.2284 402.0183 -71.3693 -371.8683 -2.1119 -456.5595 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 0 Apr17-2024 11:25:46 Nodes: 1 Procs: 1 Apr17-2024 11:25:47 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr17-2024 11:25:47 Nodes: 1 Procs: 1 Apr17-2024 11:25:48 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr17-2024 11:25:49 Nodes: 1 Procs: 1 Apr17-2024 11:25:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr17-2024 11:25:50 Nodes: 1 Procs: 1 Apr17-2024 11:25:51 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr17-2024 11:25:52 Nodes: 1 Procs: 24 *** (NO TITLE) *** -1 -16.09240898 -16.57916107 -15.94699432 -16.72304656 -16.76339096 -16.77306303 -16.77452937 -16.77604225 -16.77731539 -16.77751947 -16.77774103 -16.77785042 -16.77792635 -16.77794744 -16.77797470 -16.77800229 -16.77802194 -16.77803657 -16.77805081 -16.77806946 -16.77807891 -16.77808719 -16.77783613 -16.77811594 -16.77813010 -16.77815256 -16.77816654 -16.77820370 -16.77822029 -16.77825944 -16.77825225 GEOMETRY CONVERGED