ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr13-2024 12:51:27 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 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 Apr13-2024 12:51:27 Nodes: 1 Procs: 1 Apr13-2024 12:51:27 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr13-2024 12:51:28 Phosphorus (TZP, 1s frozen) 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 Apr13-2024 12:51:27 Nodes: 1 Procs: 1 Apr13-2024 12:51:27 Nodes: 1 Procs: 1 0 Apr13-2024 12:51:28 Nodes: 1 Procs: 1 Apr13-2024 12:51:28 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr13-2024 12:51:29 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.03 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 Apr13-2024 12:51:27 Nodes: 1 Procs: 1 Apr13-2024 12:51:27 Nodes: 1 Procs: 1 0 Apr13-2024 12:51:28 Nodes: 1 Procs: 1 Apr13-2024 12:51:28 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr13-2024 12:51:29 Nodes: 1 Procs: 1 Apr13-2024 12:51:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr13-2024 12:51:30 Phosphorus (TZP, 1s frozen) 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) 1.34 0.03 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 Apr13-2024 12:51:27 Nodes: 1 Procs: 1 Apr13-2024 12:51:27 Nodes: 1 Procs: 1 0 Apr13-2024 12:51:28 Nodes: 1 Procs: 1 Apr13-2024 12:51:28 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr13-2024 12:51:29 Nodes: 1 Procs: 1 Apr13-2024 12:51:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr13-2024 12:51:30 Nodes: 1 Procs: 1 Apr13-2024 12:51:31 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr13-2024 12:51:34 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2613.3297610000045 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Apr13-2024 12:51:31 1 1 Tungsten TZP 4d t21.Mo ADF 2019 Apr13-2024 12:51:28 1 1 Molybdenum TZP 3d t21.O ADF 2019 Apr13-2024 12:51:30 1 1 Oxygen TZP 1s t21.P ADF 2019 Apr13-2024 12:51:27 1 1 Phosphorus TZP 1s 1 1 -16.90197808 0.02233771 0.00100000 F 0.00687017 0.00066667 F 0.02233771 0.00687017 0.00927864 0.01000000 T 0.00347287 0.00666667 T Cartesian 2613.3297610000045 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0.3194062E+03 3,-3 48 3 -3 -3.732899 -3.758181 0.193334 Rho 0.3194064E+03 3,-3 49 3 -3 -3.771984 0.200639 -3.736985 Rho 0.3195535E+03 3,-3 50 3 -3 -3.757187 -0.194949 3.730260 Rho 0.3194064E+03 3,-3 51 3 -3 3.775546 0.190786 3.737778 Rho 0.3195549E+03 3,-3 52 3 -3 3.761784 -0.194220 -3.730968 Rho 0.3194070E+03 3,-3 53 3 -3 -0.005987 -0.012365 -0.000400 Rho 0.2439500E+04 3,-3 54 3 +1 -2.109313 -1.059385 -1.319643 Rho 0.2444945E-01 |GRAD(Rho)| 0.7892072E-14 GRAD(Rho)x -0.7452593E-14 GRAD(Rho)y -0.7796643E-15 GRAD(Rho)z -0.2477051E-14 Laplacian 0.9733168E-01 (-1/4)Del**2(Rho)) -0.2433292E-01 Diamond 0.1277961E-01 Metallicity 0.1458168E+01 Ellipticity -0.3977779E+01 Gb(Abramov) 0.2213553E-01 Vb(Abramov) -0.1993813E-01 Hb(Abramov) 0.2197392E-02 Ex_ueg -0.5240957E-02 Ec_ueg -0.1061035E-02 Delta_ex -0.6066185E-02 Delta_ec 0.1738332E-02 Delta_et -0.1523964E-01 Pxc 0.4939476E+01 Qxc -0.3489658E+01 3,+1 55 3 +3 1.832598 1.831528 -1.831679 Rho 0.1237253E-01 |GRAD(Rho)| 0.1180451E-12 GRAD(Rho)x -0.4720930E-13 GRAD(Rho)y 0.8195341E-13 GRAD(Rho)z -0.7063686E-13 Laplacian 0.5671477E-01 (-1/4)Del**2(Rho)) -0.1417869E-01 Diamond 0.1269658E-02 Metallicity 0.8041695E+00 Ellipticity -0.6939831E+00 Gb(Abramov) 0.1135281E-01 Vb(Abramov) -0.8526922E-02 Hb(Abramov) 0.2825886E-02 Ex_ueg -0.2113471E-02 Ec_ueg -0.4767933E-03 Delta_ex -0.2505135E-02 Delta_ec 0.1911693E-03 Delta_et -0.1856061E-02 Pxc 0.4432677E+01 Qxc -0.1310428E+02 3,+3 56 3 -1 -1.695284 0.479832 1.677412 Rho 0.4120795E-01 |GRAD(Rho)| 0.5521443E-16 GRAD(Rho)x 0.5235659E-16 GRAD(Rho)y 0.7379245E-17 GRAD(Rho)z 0.1590495E-16 Laplacian 0.1638589E+00 (-1/4)Del**2(Rho)) -0.4096474E-01 Diamond 0.6316132E-01 Metallicity 0.2067496E+01 Ellipticity 0.1021010E-01 Gb(Abramov) 0.4142556E-01 Vb(Abramov) -0.4188639E-01 Hb(Abramov) -0.4608278E-03 Ex_ueg -0.1051219E-01 Ec_ueg -0.1934981E-02 Delta_ex -0.1281203E-01 Delta_ec 0.4819474E-02 Delta_et -0.4827282E-01 Pxc 0.5432709E+01 Qxc -0.2658388E+01 3,-1 57 3 +3 -2.364335 -0.016463 -0.031259 Rho 0.4387512E-02 |GRAD(Rho)| 0.6264922E-16 GRAD(Rho)x 0.4746784E-16 GRAD(Rho)y -0.3272195E-16 GRAD(Rho)z -0.2451536E-16 Laplacian 0.1817138E-01 (-1/4)Del**2(Rho)) -0.4542846E-02 Diamond 0.1622015E-03 Metallicity 0.4459187E+00 Ellipticity -0.2944252E+00 Gb(Abramov) 0.3366187E-02 Vb(Abramov) -0.2189529E-02 Hb(Abramov) 0.1176659E-02 Ex_ueg -0.5304887E-03 Ec_ueg -0.1206509E-03 Delta_ex -0.6675213E-03 Delta_ec 0.1907125E-03 Delta_et -0.1151952E-02 Pxc 0.4396889E+01 Qxc -0.3500146E+01 3,+3 58 3 +1 -1.759971 1.747806 -1.773248 Rho 0.1226551E-01 |GRAD(Rho)| 0.2307009E-12 GRAD(Rho)x 0.8873657E-13 GRAD(Rho)y 0.1959118E-12 GRAD(Rho)z 0.8347043E-13 Laplacian 0.6194947E-01 (-1/4)Del**2(Rho)) -0.1548737E-01 Diamond 0.2555797E-02 Metallicity 0.7256349E+00 Ellipticity -0.1247646E+01 Gb(Abramov) 0.1219794E-01 Vb(Abramov) -0.8908514E-02 Hb(Abramov) 0.3289427E-02 Ex_ueg -0.2089132E-02 Ec_ueg -0.4718396E-03 Delta_ex -0.3062124E-02 Delta_ec 0.8030151E-03 Delta_et -0.6054383E-02 Pxc 0.4427631E+01 Qxc -0.3813283E+01 3,+1 59 3 -1 -2.774408 1.821723 -0.570401 Rho 0.1356194E+00 |GRAD(Rho)| 0.3107695E-15 GRAD(Rho)x -0.9450177E-16 GRAD(Rho)y -0.2264085E-15 GRAD(Rho)z -0.1907518E-15 Laplacian 0.5693523E+00 (-1/4)Del**2(Rho)) -0.1423381E+00 Diamond 0.1026980E+01 Metallicity 0.4332795E+01 Ellipticity 0.1168864E-01 Gb(Abramov) 0.1976790E+00 Vb(Abramov) -0.2530199E+00 Hb(Abramov) -0.5534093E-01 Ex_ueg -0.5146128E-01 Ec_ueg -0.7529401E-02 Delta_ex -0.5971094E-01 Delta_ec 0.1490330E-01 Delta_et -0.1956558E+00 Pxc 0.6834711E+01 Qxc -0.4006559E+01 3,-1 60 3 +1 -2.121089 1.188947 1.162044 Rho 0.2564536E-01 |GRAD(Rho)| 0.1300529E-16 GRAD(Rho)x 0.1178927E-16 GRAD(Rho)y -0.4265609E-17 GRAD(Rho)z 0.3457647E-17 Laplacian 0.1034769E+00 (-1/4)Del**2(Rho)) -0.2586923E-01 Diamond 0.1523037E-01 Metallicity 0.1485198E+01 Ellipticity -0.6236062E+01 Gb(Abramov) 0.2364964E-01 Vb(Abramov) -0.2143005E-01 Hb(Abramov) 0.2219590E-02 Ex_ueg -0.5585517E-02 Ec_ueg -0.1121262E-02 Delta_ex -0.6607080E-02 Delta_ec 0.1983352E-02 Delta_et -0.1756808E-01 Pxc 0.4981458E+01 Qxc -0.3331270E+01 3,+1 61 3 +1 -1.995297 2.003529 1.998417 Rho 0.1246996E-01 |GRAD(Rho)| 0.4344906E-15 GRAD(Rho)x 0.2084224E-15 GRAD(Rho)y -0.2441439E-15 GRAD(Rho)z -0.2928069E-15 Laplacian 0.5899062E-01 (-1/4)Del**2(Rho)) -0.1474765E-01 Diamond 0.2087159E-02 Metallicity 0.7833187E+00 Ellipticity -0.1169354E+01 Gb(Abramov) 0.1175712E-01 Vb(Abramov) -0.8766589E-02 Hb(Abramov) 0.2990533E-02 Ex_ueg -0.2135691E-02 Ec_ueg -0.4813071E-03 Delta_ex -0.2818167E-02 Delta_ec 0.5674131E-03 Delta_et -0.4443930E-02 Pxc 0.4437272E+01 Qxc -0.4966694E+01 3,+1 62 3 -1 -2.970701 1.983660 0.840700 Rho 0.1441961E+00 |GRAD(Rho)| 0.3720502E-15 GRAD(Rho)x 0.2759566E-15 GRAD(Rho)y 0.2267202E-15 GRAD(Rho)z -0.1042460E-15 Laplacian 0.5750049E+00 (-1/4)Del**2(Rho)) -0.1437512E+00 Diamond 0.1116827E+01 Metallicity 0.4751865E+01 Ellipticity 0.3012986E-01 Gb(Abramov) 0.2096819E+00 Vb(Abramov) -0.2756126E+00 Hb(Abramov) -0.6593067E-01 Ex_ueg -0.5584570E-01 Ec_ueg -0.8073022E-02 Delta_ex -0.6121355E-01 Delta_ec 0.1483559E-01 Delta_et -0.1966091E+00 Pxc 0.6917571E+01 Qxc -0.4126128E+01 3,-1 63 3 +1 -0.083509 2.907833 0.084582 Rho 0.4844978E-02 |GRAD(Rho)| 0.6888320E-17 GRAD(Rho)x -0.6424987E-17 GRAD(Rho)y 0.1214186E-17 GRAD(Rho)z -0.2166621E-17 Laplacian 0.1992125E-01 (-1/4)Del**2(Rho)) -0.4980313E-02 Diamond 0.4744925E-03 Metallicity 0.4798618E+00 Ellipticity -0.4548711E+01 Gb(Abramov) 0.3718519E-02 Vb(Abramov) -0.2456725E-02 Hb(Abramov) 0.1261794E-02 Ex_ueg -0.6054906E-03 Ec_ueg -0.1402477E-03 Delta_ex -0.1012740E-02 Delta_ec 0.6777631E-03 Delta_et -0.3625692E-02 Pxc 0.4317296E+01 Qxc -0.1494239E+01 3,+1 64 3 -1 -1.968585 -2.980864 -0.845485 Rho 0.1438241E+00 |GRAD(Rho)| 0.8531130E-15 GRAD(Rho)x 0.4022119E-15 GRAD(Rho)y 0.4246007E-16 GRAD(Rho)z -0.7511488E-15 Laplacian 0.5736147E+00 (-1/4)Del**2(Rho)) -0.1434037E+00 Diamond 0.1109901E+01 Metallicity 0.4742916E+01 Ellipticity 0.3200442E-01 Gb(Abramov) 0.2089611E+00 Vb(Abramov) -0.2745184E+00 Hb(Abramov) -0.6555737E-01 Ex_ueg -0.5565366E-01 Ec_ueg -0.8049344E-02 Delta_ex -0.6101890E-01 Delta_ec 0.1479454E-01 Delta_et -0.1959590E+00 Pxc 0.6914062E+01 Qxc -0.4124420E+01 3,-1 65 3 -1 -2.968094 -1.988510 -0.843987 Rho 0.1419876E+00 |GRAD(Rho)| 0.7393571E-12 GRAD(Rho)x 0.2571138E-12 GRAD(Rho)y -0.4399874E-12 GRAD(Rho)z 0.5356795E-12 Laplacian 0.5635908E+00 (-1/4)Del**2(Rho)) -0.1408977E+00 Diamond 0.1075577E+01 Metallicity 0.4724978E+01 Ellipticity 0.2941892E-01 Gb(Abramov) 0.2048882E+00 Vb(Abramov) -0.2688788E+00 Hb(Abramov) -0.6399053E-01 Ex_ueg -0.5470817E-01 Ec_ueg -0.7932592E-02 Delta_ex -0.5978399E-01 Delta_ec 0.1461571E-01 Delta_et -0.1932926E+00 Pxc 0.6896631E+01 Qxc -0.4090394E+01 3,-1 66 3 +1 -1.346727 -1.028725 -2.111760 Rho 0.2438885E-01 |GRAD(Rho)| 0.6815303E-16 GRAD(Rho)x -0.5256760E-16 GRAD(Rho)y 0.2334488E-16 GRAD(Rho)z -0.3655817E-16 Laplacian 0.9653572E-01 (-1/4)Del**2(Rho)) -0.2413393E-01 Diamond 0.1211853E-01 Metallicity 0.1464122E+01 Ellipticity -0.3252267E+01 Gb(Abramov) 0.2197845E-01 Vb(Abramov) -0.1982298E-01 Hb(Abramov) 0.2155474E-02 Ex_ueg -0.5223642E-02 Ec_ueg -0.1057993E-02 Delta_ex -0.5955001E-02 Delta_ec 0.1621228E-02 Delta_et -0.1422856E-01 Pxc 0.4937313E+01 Qxc -0.3673142E+01 3,+1 67 3 +1 -1.687309 -0.557830 0.528031 Rho 0.8861899E-02 |GRAD(Rho)| 0.1633735E-14 GRAD(Rho)x 0.6689934E-15 GRAD(Rho)y 0.1437049E-14 GRAD(Rho)z 0.3955102E-15 Laplacian 0.3692652E-01 (-1/4)Del**2(Rho)) -0.9231629E-02 Diamond 0.1080682E-02 Metallicity 0.7081949E+00 Ellipticity -0.1438092E+01 Gb(Abramov) 0.7244052E-02 Vb(Abramov) -0.5256474E-02 Hb(Abramov) 0.1987578E-02 Ex_ueg -0.1354422E-02 Ec_ueg -0.3167134E-03 Delta_ex -0.1722004E-02 Delta_ec 0.5592152E-03 Delta_et -0.3819910E-02 Pxc 0.4276493E+01 Qxc -0.3079322E+01 3,+1 68 3 +3 -1.111515 -1.114005 1.109904 Rho 0.5072431E-02 |GRAD(Rho)| 0.4993152E-17 GRAD(Rho)x 0.1880413E-18 GRAD(Rho)y -0.3913504E-17 GRAD(Rho)z -0.3095270E-17 Laplacian 0.2087531E-01 (-1/4)Del**2(Rho)) -0.5218828E-02 Diamond 0.1567144E-03 Metallicity 0.4943188E+00 Ellipticity -0.3371486E-01 Gb(Abramov) 0.3909179E-02 Vb(Abramov) -0.2599531E-02 Hb(Abramov) 0.1309649E-02 Ex_ueg -0.6436848E-03 Ec_ueg -0.1500311E-03 Delta_ex -0.7314329E-03 Delta_ec 0.1050241E-03 Delta_et -0.7957828E-03 Pxc 0.4290342E+01 Qxc -0.6964429E+01 3,+3 69 3 +1 -0.542733 -0.550792 1.681389 Rho 0.8798226E-02 |GRAD(Rho)| 0.1597911E-16 GRAD(Rho)x 0.1517883E-17 GRAD(Rho)y -0.1436568E-16 GRAD(Rho)z 0.6830474E-17 Laplacian 0.3664689E-01 (-1/4)Del**2(Rho)) -0.9161723E-02 Diamond 0.1063187E-02 Metallicity 0.7050738E+00 Ellipticity -0.1436897E+01 Gb(Abramov) 0.7184430E-02 Vb(Abramov) -0.5207138E-02 Hb(Abramov) 0.1977292E-02 Ex_ueg -0.1341463E-02 Ec_ueg -0.3138580E-03 Delta_ex -0.1706391E-02 Delta_ec 0.5558937E-03 Delta_et -0.3789383E-02 Pxc 0.4274107E+01 Qxc -0.3069636E+01 3,+1 70 3 +1 -0.102143 -0.104240 -2.915462 Rho 0.4941181E-02 |GRAD(Rho)| 0.8583643E-17 GRAD(Rho)x -0.5632240E-17 GRAD(Rho)y 0.6432792E-17 GRAD(Rho)z -0.7589415E-18 Laplacian 0.2032868E-01 (-1/4)Del**2(Rho)) -0.5082169E-02 Diamond 0.4871115E-03 Metallicity 0.4859095E+00 Ellipticity -0.3918994E+01 Gb(Abramov) 0.3799692E-02 Vb(Abramov) -0.2517214E-02 Hb(Abramov) 0.1282477E-02 Ex_ueg -0.6215739E-03 Ec_ueg -0.1443825E-03 Delta_ex -0.1027782E-02 Delta_ec 0.6747060E-03 Delta_et -0.3637225E-02 Pxc 0.4305051E+01 Qxc -0.1523303E+01 3,+1 71 3 -1 -1.704709 -0.494187 -1.692090 Rho 0.3557882E-01 |GRAD(Rho)| 0.5424117E-15 GRAD(Rho)x -0.3656624E-15 GRAD(Rho)y 0.1795839E-15 GRAD(Rho)z -0.3581215E-15 Laplacian 0.1473410E+00 (-1/4)Del**2(Rho)) -0.3683525E-01 Diamond 0.4808303E-01 Metallicity 0.1800012E+01 Ellipticity 0.7718160E-02 Gb(Abramov) 0.3560748E-01 Vb(Abramov) -0.3437972E-01 Hb(Abramov) 0.1227766E-02 Ex_ueg -0.8642521E-02 Ec_ueg -0.1634799E-02 Delta_ex -0.1121571E-01 Delta_ec 0.4528141E-02 Delta_et -0.4359835E-01 Pxc 0.5286595E+01 Qxc -0.2476891E+01 3,-1 72 3 +3 0.014430 0.006996 2.360831 Rho 0.4276304E-02 |GRAD(Rho)| 0.3561541E-15 GRAD(Rho)x 0.5535847E-16 GRAD(Rho)y 0.3409663E-15 GRAD(Rho)z -0.8673617E-16 Laplacian 0.1764784E-01 (-1/4)Del**2(Rho)) -0.4411960E-02 Diamond 0.1515367E-03 Metallicity 0.4399155E+00 Ellipticity -0.3057790E+00 Gb(Abramov) 0.3264788E-02 Vb(Abramov) -0.2117617E-02 Hb(Abramov) 0.1147172E-02 Ex_ueg -0.5126369E-03 Ec_ueg -0.1159034E-03 Delta_ex -0.6434588E-03 Delta_ec 0.1839782E-03 Delta_et -0.1105689E-02 Pxc 0.4422967E+01 Qxc -0.3497473E+01 3,+3 73 3 +1 -0.548739 1.677252 -0.542071 Rho 0.8617185E-02 |GRAD(Rho)| 0.1252911E-15 GRAD(Rho)x -0.6633793E-16 GRAD(Rho)y 0.9572828E-16 GRAD(Rho)z -0.4618701E-16 Laplacian 0.3592019E-01 (-1/4)Del**2(Rho)) -0.8980048E-02 Diamond 0.1019664E-02 Metallicity 0.6948380E+00 Ellipticity -0.1434909E+01 Gb(Abramov) 0.7026645E-02 Vb(Abramov) -0.5073242E-02 Hb(Abramov) 0.1953403E-02 Ex_ueg -0.1304785E-02 Ec_ueg -0.3057491E-03 Delta_ex -0.1666868E-02 Delta_ec 0.5502058E-03 Delta_et -0.3726229E-02 Pxc 0.4267502E+01 Qxc -0.3029536E+01 3,+1 74 3 +1 -1.693101 0.521779 -0.560887 Rho 0.8506009E-02 |GRAD(Rho)| 0.7763457E-15 GRAD(Rho)x 0.2052124E-15 GRAD(Rho)y -0.6453917E-15 GRAD(Rho)z -0.3795656E-15 Laplacian 0.3529777E-01 (-1/4)Del**2(Rho)) -0.8824443E-02 Diamond 0.9986386E-03 Metallicity 0.6919514E+00 Ellipticity -0.1450492E+01 Gb(Abramov) 0.6900643E-02 Vb(Abramov) -0.4976843E-02 Hb(Abramov) 0.1923800E-02 Ex_ueg -0.1282388E-02 Ec_ueg -0.3007767E-03 Delta_ex -0.1639184E-02 Delta_ec 0.5522625E-03 Delta_et -0.3718741E-02 Pxc 0.4263589E+01 Qxc -0.2968125E+01 3,+1 75 3 +1 -2.906967 -0.095602 -0.109329 Rho 0.4931321E-02 |GRAD(Rho)| 0.3967796E-16 GRAD(Rho)x -0.3468578E-17 GRAD(Rho)y -0.7160096E-19 GRAD(Rho)z -0.3952600E-16 Laplacian 0.2030327E-01 (-1/4)Del**2(Rho)) -0.5075819E-02 Diamond 0.4904628E-03 Metallicity 0.4849004E+00 Ellipticity -0.4379884E+01 Gb(Abramov) 0.3794090E-02 Vb(Abramov) -0.2512362E-02 Hb(Abramov) 0.1281729E-02 Ex_ueg -0.6199206E-03 Ec_ueg -0.1439585E-03 Delta_ex -0.1031089E-02 Delta_ec 0.6827525E-03 Delta_et -0.3674967E-02 Pxc 0.4306247E+01 Qxc -0.1510195E+01 3,+1 76 3 +3 -0.015377 -0.011248 -2.359625 Rho 0.4367013E-02 |GRAD(Rho)| 0.4665482E-17 GRAD(Rho)x -0.8307276E-18 GRAD(Rho)y -0.4567744E-17 GRAD(Rho)z -0.4607859E-18 Laplacian 0.1806646E-01 (-1/4)Del**2(Rho)) -0.4516615E-02 Diamond 0.1580092E-03 Metallicity 0.4450214E+00 Ellipticity -0.2999777E+00 Gb(Abramov) 0.3346075E-02 Vb(Abramov) -0.2175535E-02 Hb(Abramov) 0.1170540E-02 Ex_ueg -0.5271865E-03 Ec_ueg -0.1197753E-03 Delta_ex -0.6604051E-03 Delta_ec 0.1851716E-03 Delta_et -0.1122630E-02 Pxc 0.4401463E+01 Qxc -0.3566449E+01 3,+3 77 3 +1 -0.554320 0.523403 -1.698181 Rho 0.8401982E-02 |GRAD(Rho)| 0.1625011E-16 GRAD(Rho)x -0.4824700E-17 GRAD(Rho)y -0.1301043E-16 GRAD(Rho)z -0.8456777E-17 Laplacian 0.3478322E-01 (-1/4)Del**2(Rho)) -0.8695805E-02 Diamond 0.9640411E-03 Metallicity 0.6879332E+00 Ellipticity -0.1443654E+01 Gb(Abramov) 0.6794225E-02 Vb(Abramov) -0.4892646E-02 Hb(Abramov) 0.1901579E-02 Ex_ueg -0.1261520E-02 Ec_ueg -0.2961290E-03 Delta_ex -0.1608648E-02 Delta_ec 0.5411402E-03 Delta_et -0.3634279E-02 Pxc 0.4260035E+01 Qxc -0.2972701E+01 3,+1 78 3 +1 -0.540626 -1.692076 0.538947 Rho 0.8912903E-02 |GRAD(Rho)| 0.2175840E-16 GRAD(Rho)x 0.1098263E-16 GRAD(Rho)y 0.1874992E-16 GRAD(Rho)z -0.1118083E-17 Laplacian 0.3717981E-01 (-1/4)Del**2(Rho)) -0.9294952E-02 Diamond 0.1098062E-02 Metallicity 0.7101302E+00 Ellipticity -0.1440490E+01 Gb(Abramov) 0.7296739E-02 Vb(Abramov) -0.5298526E-02 Hb(Abramov) 0.1998213E-02 Ex_ueg -0.1364826E-02 Ec_ueg -0.3190019E-03 Delta_ex -0.1736925E-02 Delta_ec 0.5641467E-03 Delta_et -0.3858564E-02 Pxc 0.4278426E+01 Qxc -0.3078853E+01 3,+1 79 3 +3 1.110664 -1.109047 -1.109627 Rho 0.5029620E-02 |GRAD(Rho)| 0.4455701E-17 GRAD(Rho)x 0.2040608E-17 GRAD(Rho)y -0.3839600E-17 GRAD(Rho)z 0.9729629E-18 Laplacian 0.2071631E-01 (-1/4)Del**2(Rho)) -0.5179078E-02 Diamond 0.1544425E-03 Metallicity 0.4911258E+00 Ellipticity -0.2587935E-01 Gb(Abramov) 0.3876648E-02 Vb(Abramov) -0.2574219E-02 Hb(Abramov) 0.1302429E-02 Ex_ueg -0.6364515E-03 Ec_ueg -0.1481877E-03 Delta_ex -0.7248304E-03 Delta_ec 0.1054002E-03 Delta_et -0.7944115E-03 Pxc 0.4294901E+01 Qxc -0.6876938E+01 3,+3 80 3 +1 0.526796 1.687418 0.554252 Rho 0.8300570E-02 |GRAD(Rho)| 0.9428518E-15 GRAD(Rho)x 0.8204632E-15 GRAD(Rho)y 0.3923389E-15 GRAD(Rho)z -0.2487566E-15 Laplacian 0.3435729E-01 (-1/4)Del**2(Rho)) -0.8589322E-02 Diamond 0.9430316E-03 Metallicity 0.6825075E+00 Ellipticity -0.1446592E+01 Gb(Abramov) 0.6703261E-02 Vb(Abramov) -0.4817200E-02 Hb(Abramov) 0.1886061E-02 Ex_ueg -0.1241259E-02 Ec_ueg -0.2916028E-03 Delta_ex -0.1587195E-02 Delta_ec 0.5399094E-03 Delta_et -0.3610398E-02 Pxc 0.4256676E+01 Qxc -0.2939743E+01 3,+1 81 3 +1 0.543218 0.539434 1.700135 Rho 0.8106809E-02 |GRAD(Rho)| 0.9224012E-15 GRAD(Rho)x 0.3500347E-15 GRAD(Rho)y -0.7811135E-15 GRAD(Rho)z -0.3437463E-15 Laplacian 0.3334638E-01 (-1/4)Del**2(Rho)) -0.8336596E-02 Diamond 0.8974139E-03 Metallicity 0.6760535E+00 Ellipticity -0.1458115E+01 Gb(Abramov) 0.6497061E-02 Vb(Abramov) -0.4657527E-02 Hb(Abramov) 0.1839534E-02 Ex_ueg -0.1202777E-02 Ec_ueg -0.2829677E-03 Delta_ex -0.1536925E-02 Delta_ec 0.5336518E-03 Delta_et -0.3539165E-02 Pxc 0.4250579E+01 Qxc -0.2880015E+01 3,+1 82 3 +1 0.542696 -0.545801 -1.683994 Rho 0.8755012E-02 |GRAD(Rho)| 0.5852151E-16 GRAD(Rho)x 0.5215012E-16 GRAD(Rho)y 0.1962406E-16 GRAD(Rho)z -0.1788934E-16 Laplacian 0.3654161E-01 (-1/4)Del**2(Rho)) -0.9135403E-02 Diamond 0.1055140E-02 Metallicity 0.7013261E+00 Ellipticity -0.1434805E+01 Gb(Abramov) 0.7158085E-02 Vb(Abramov) -0.5180767E-02 Hb(Abramov) 0.1977318E-02 Ex_ueg -0.1332685E-02 Ec_ueg -0.3119211E-03 Delta_ex -0.1700314E-02 Delta_ec 0.5559400E-03 Delta_et -0.3783587E-02 Pxc 0.4272505E+01 Qxc -0.3058449E+01 3,+1 83 3 -1 -0.365245 -0.378765 -0.365885 Rho 0.2026867E+00 |GRAD(Rho)| 0.2797542E-15 GRAD(Rho)x 0.1611654E-15 GRAD(Rho)y 0.5157811E-16 GRAD(Rho)z 0.2227731E-15 Laplacian 0.7285093E+00 (-1/4)Del**2(Rho)) -0.1821273E+00 Diamond 0.2356077E+01 Metallicity 0.6615359E+01 Ellipticity 0.3178169E-02 Gb(Abramov) 0.3222245E+00 Vb(Abramov) -0.4623217E+00 Hb(Abramov) -0.1400972E+00 Ex_ueg -0.8793303E-01 Ec_ueg -0.1189801E-01 Delta_ex -0.8594497E-01 Delta_ec 0.1990641E-01 Delta_et -0.2838566E+00 Pxc 0.7390565E+01 Qxc -0.4317453E+01 3,-1 84 3 +3 1.097967 1.101117 1.125639 Rho 0.4752403E-02 |GRAD(Rho)| 0.6176695E-17 GRAD(Rho)x 0.2450466E-17 GRAD(Rho)y -0.1846955E-17 GRAD(Rho)z -0.5360554E-17 Laplacian 0.1937690E-01 (-1/4)Del**2(Rho)) -0.4844226E-02 Diamond 0.1369291E-03 Metallicity 0.4777319E+00 Ellipticity -0.3536149E-01 Gb(Abramov) 0.3615191E-02 Vb(Abramov) -0.2386156E-02 Hb(Abramov) 0.1229035E-02 Ex_ueg -0.5901143E-03 Ec_ueg -0.1362733E-03 Delta_ex -0.6707364E-03 Delta_ec 0.1043450E-03 Delta_et -0.7636810E-03 Pxc 0.4330373E+01 Qxc -0.6428066E+01 3,+3 85 3 +1 0.538838 -1.694222 -0.539639 Rho 0.8890988E-02 |GRAD(Rho)| 0.5892647E-17 GRAD(Rho)x 0.2951063E-17 GRAD(Rho)y -0.3123858E-17 GRAD(Rho)z 0.4031877E-17 Laplacian 0.3715112E-01 (-1/4)Del**2(Rho)) -0.9287780E-02 Diamond 0.1092124E-02 Metallicity 0.7077686E+00 Ellipticity -0.1436301E+01 Gb(Abramov) 0.7287453E-02 Vb(Abramov) -0.5287126E-02 Hb(Abramov) 0.2000327E-02 Ex_ueg -0.1360353E-02 Ec_ueg -0.3180184E-03 Delta_ex -0.1733903E-02 Delta_ec 0.5626202E-03 Delta_et -0.3846460E-02 Pxc 0.4277593E+01 Qxc -0.3081836E+01 3,+1 86 3 +1 2.108834 1.195560 -1.159146 Rho 0.2526772E-01 |GRAD(Rho)| 0.3678293E-16 GRAD(Rho)x -0.2471760E-16 GRAD(Rho)y -0.2526115E-16 GRAD(Rho)z -0.1019306E-16 Laplacian 0.1016978E+00 (-1/4)Del**2(Rho)) -0.2542444E-01 Diamond 0.1475916E-01 Metallicity 0.1474275E+01 Ellipticity -0.6544408E+01 Gb(Abramov) 0.2319673E-01 Vb(Abramov) -0.2096902E-01 Hb(Abramov) 0.2227710E-02 Ex_ueg -0.5476123E-02 Ec_ueg -0.1102203E-02 Delta_ex -0.6478175E-02 Delta_ec 0.1966939E-02 Delta_et -0.1735368E-01 Pxc 0.4968343E+01 Qxc -0.3293531E+01 3,+1 87 3 +3 -1.114605 1.090390 -1.122292 Rho 0.4885834E-02 |GRAD(Rho)| 0.1903216E-11 GRAD(Rho)x 0.1901308E-11 GRAD(Rho)y -0.6845810E-13 GRAD(Rho)z 0.5073299E-13 Laplacian 0.2001404E-01 (-1/4)Del**2(Rho)) -0.5003510E-02 Diamond 0.1451687E-03 Metallicity 0.4843689E+00 Ellipticity -0.5937062E-01 Gb(Abramov) 0.3739597E-02 Vb(Abramov) -0.2475685E-02 Hb(Abramov) 0.1263912E-02 Ex_ueg -0.6123081E-03 Ec_ueg -0.1420031E-03 Delta_ex -0.6963970E-03 Delta_ec 0.1048438E-03 Delta_et -0.7783926E-03 Pxc 0.4311935E+01 Qxc -0.6642234E+01 3,+3 88 3 +1 1.994457 1.991589 -1.991293 Rho 0.1265445E-01 |GRAD(Rho)| 0.1232434E-14 GRAD(Rho)x -0.8146474E-15 GRAD(Rho)y -0.4610568E-15 GRAD(Rho)z 0.8016668E-15 Laplacian 0.5993255E-01 (-1/4)Del**2(Rho)) -0.1498314E-01 Diamond 0.2132925E-02 Metallicity 0.7901130E+00 Ellipticity -0.1155751E+01 Gb(Abramov) 0.1196182E-01 Vb(Abramov) -0.8940503E-02 Hb(Abramov) 0.3021317E-02 Ex_ueg -0.2177924E-02 Ec_ueg -0.4898644E-03 Delta_ex -0.2866420E-02 Delta_ec 0.5615845E-03 Delta_et -0.4427254E-02 Pxc 0.4445974E+01 Qxc -0.5104165E+01 3,+1 89 3 +3 -0.012622 2.354551 0.018057 Rho 0.4288530E-02 |GRAD(Rho)| 0.8397699E-15 GRAD(Rho)x 0.3726125E-15 GRAD(Rho)y -0.6455850E-15 GRAD(Rho)z -0.3867730E-15 Laplacian 0.1773238E-01 (-1/4)Del**2(Rho)) -0.4433095E-02 Diamond 0.1526448E-03 Metallicity 0.4399063E+00 Ellipticity -0.2903676E+00 Gb(Abramov) 0.3280421E-02 Vb(Abramov) -0.2127747E-02 Hb(Abramov) 0.1152674E-02 Ex_ueg -0.5145919E-03 Ec_ueg -0.1164250E-03 Delta_ex -0.6467649E-03 Delta_ec 0.1844370E-03 Delta_et -0.1109761E-02 Pxc 0.4419944E+01 Qxc -0.3506699E+01 3,+3 90 3 +1 -1.017694 2.096295 1.349559 Rho 0.2375080E-01 |GRAD(Rho)| 0.1787086E-16 GRAD(Rho)x 0.1556256E-16 GRAD(Rho)y -0.8462369E-17 GRAD(Rho)z -0.2358531E-17 Laplacian 0.9347050E-01 (-1/4)Del**2(Rho)) -0.2336762E-01 Diamond 0.1128861E-01 Metallicity 0.1446779E+01 Ellipticity -0.3177988E+01 Gb(Abramov) 0.2121305E-01 Vb(Abramov) -0.1905847E-01 Hb(Abramov) 0.2154575E-02 Ex_ueg -0.5042230E-02 Ec_ueg -0.1026027E-02 Delta_ex -0.5722401E-02 Delta_ec 0.1564625E-02 Delta_et -0.1364421E-01 Pxc 0.4914327E+01 Qxc -0.3657362E+01 3,+1 91 3 +1 1.171087 1.186173 -2.112422 Rho 0.2533157E-01 |GRAD(Rho)| 0.8553879E-14 GRAD(Rho)x 0.1319053E-14 GRAD(Rho)y 0.3576793E-14 GRAD(Rho)z -0.7657382E-14 Laplacian 0.1019539E+00 (-1/4)Del**2(Rho)) -0.2548848E-01 Diamond 0.1483508E-01 Metallicity 0.1476770E+01 Ellipticity -0.6532090E+01 Gb(Abramov) 0.2326576E-01 Vb(Abramov) -0.2104303E-01 Hb(Abramov) 0.2222724E-02 Ex_ueg -0.5494581E-02 Ec_ueg -0.1105423E-02 Delta_ex -0.6497437E-02 Delta_ec 0.1969490E-02 Delta_et -0.1738783E-01 Pxc 0.4970570E+01 Qxc -0.3299045E+01 3,+1 92 3 -1 0.481648 1.676509 -1.694869 Rho 0.3941782E-01 |GRAD(Rho)| 0.4352061E-14 GRAD(Rho)x -0.1353163E-14 GRAD(Rho)y 0.2868265E-14 GRAD(Rho)z -0.2980342E-14 Laplacian 0.1556633E+00 (-1/4)Del**2(Rho)) -0.3891581E-01 Diamond 0.5621527E-01 Metallicity 0.2021070E+01 Ellipticity 0.1104603E-01 Gb(Abramov) 0.3905247E-01 Vb(Abramov) -0.3918913E-01 Hb(Abramov) -0.1366599E-03 Ex_ueg -0.9907753E-02 Ec_ueg -0.1838875E-02 Delta_ex -0.1202160E-01 Delta_ec 0.4551229E-02 Delta_et -0.4504282E-01 Pxc 0.5387942E+01 Qxc -0.2641396E+01 3,-1 93 3 +1 -1.035017 1.329196 2.103260 Rho 0.2407106E-01 |GRAD(Rho)| 0.4270064E-16 GRAD(Rho)x 0.2040963E-16 GRAD(Rho)y 0.1447374E-16 GRAD(Rho)z -0.3460205E-16 Laplacian 0.9524837E-01 (-1/4)Del**2(Rho)) -0.2381209E-01 Diamond 0.1194313E-01 Metallicity 0.1451825E+01 Ellipticity -0.3472028E+01 Gb(Abramov) 0.2163656E-01 Vb(Abramov) -0.1946103E-01 Hb(Abramov) 0.2175531E-02 Ex_ueg -0.5133088E-02 Ec_ueg -0.1042058E-02 Delta_ex -0.5877913E-02 Delta_ec 0.1640426E-02 Delta_et -0.1434023E-01 Pxc 0.4925913E+01 Qxc -0.3583163E+01 3,+1 94 3 -1 0.587553 1.813431 2.803402 Rho 0.1425935E+00 |GRAD(Rho)| 0.4855932E-15 GRAD(Rho)x -0.3349643E-15 GRAD(Rho)y 0.3470938E-15 GRAD(Rho)z -0.5590756E-16 Laplacian 0.5977616E+00 (-1/4)Del**2(Rho)) -0.1494404E+00 Diamond 0.1124159E+01 Metallicity 0.4486606E+01 Ellipticity 0.2110864E-01 Gb(Abramov) 0.2113736E+00 Vb(Abramov) -0.2733069E+00 Hb(Abramov) -0.6193323E-01 Ex_ueg -0.5501967E-01 Ec_ueg -0.7971089E-02 Delta_ex -0.6323497E-01 Delta_ec 0.1505803E-01 Delta_et -0.1983610E+00 Pxc 0.6902403E+01 Qxc -0.4199420E+01 3,-1 95 3 -1 0.842873 1.966407 -2.979348 Rho 0.1425744E+00 |GRAD(Rho)| 0.3275223E-15 GRAD(Rho)x -0.1283153E-15 GRAD(Rho)y -0.7373930E-16 GRAD(Rho)z 0.2921789E-15 Laplacian 0.5685760E+00 (-1/4)Del**2(Rho)) -0.1421440E+00 Diamond 0.1088493E+01 Metallicity 0.4715857E+01 Ellipticity 0.2922385E-01 Gb(Abramov) 0.2064845E+00 Vb(Abramov) -0.2708249E+00 Hb(Abramov) -0.6434047E-01 Ex_ueg -0.5500986E-01 Ec_ueg -0.7969877E-02 Delta_ex -0.6035227E-01 Delta_ec 0.1469235E-01 Delta_et -0.1943461E+00 Pxc 0.6902222E+01 Qxc -0.4107735E+01 3,-1 96 3 +1 1.754239 1.763356 1.776000 Rho 0.1214352E-01 |GRAD(Rho)| 0.3794781E-16 GRAD(Rho)x 0.1914085E-16 GRAD(Rho)y -0.3234711E-16 GRAD(Rho)z 0.5227631E-17 Laplacian 0.6138006E-01 (-1/4)Del**2(Rho)) -0.1534502E-01 Diamond 0.2509291E-02 Metallicity 0.7202669E+00 Ellipticity -0.1247678E+01 Gb(Abramov) 0.1207209E-01 Vb(Abramov) -0.8799174E-02 Hb(Abramov) 0.3272921E-02 Ex_ueg -0.2061474E-02 Ec_ueg -0.4661984E-03 Delta_ex -0.3029240E-02 Delta_ec 0.8014595E-03 Delta_et -0.6023476E-02 Pxc 0.4421881E+01 Qxc -0.3779655E+01 3,+1 97 3 -1 1.688063 0.485966 -1.682437 Rho 0.3983664E-01 |GRAD(Rho)| 0.1250993E-12 GRAD(Rho)x 0.8481908E-13 GRAD(Rho)y -0.3835873E-13 GRAD(Rho)z -0.8357135E-13 Laplacian 0.1576036E+00 (-1/4)Del**2(Rho)) -0.3940089E-01 Diamond 0.5775910E-01 Metallicity 0.2031663E+01 Ellipticity 0.1105831E-01 Gb(Abramov) 0.3960882E-01 Vb(Abramov) -0.3981674E-01 Hb(Abramov) -0.2079247E-03 Ex_ueg -0.1004836E-01 Ec_ueg -0.1861308E-02 Delta_ex -0.1220458E-01 Delta_ec 0.4609623E-02 Delta_et -0.4575065E-01 Pxc 0.5398549E+01 Qxc -0.2647631E+01 3,-1 98 3 +1 1.331121 -1.038378 2.108352 Rho 0.2429798E-01 |GRAD(Rho)| 0.4801018E-16 GRAD(Rho)x 0.2085834E-17 GRAD(Rho)y -0.1559689E-16 GRAD(Rho)z 0.4535817E-16 Laplacian 0.9643028E-01 (-1/4)Del**2(Rho)) -0.2410757E-01 Diamond 0.1233221E-01 Metallicity 0.1456632E+01 Ellipticity -0.3594866E+01 Gb(Abramov) 0.2192436E-01 Vb(Abramov) -0.1974115E-01 Hb(Abramov) 0.2183212E-02 Ex_ueg -0.5197709E-02 Ec_ueg -0.1053434E-02 Delta_ex -0.5975167E-02 Delta_ec 0.1677657E-02 Delta_et -0.1469555E-01 Pxc 0.4934063E+01 Qxc -0.3561615E+01 3,+1 99 3 +3 2.357283 0.000676 0.018488 Rho 0.4323529E-02 |GRAD(Rho)| 0.3157328E-17 GRAD(Rho)x 0.2169652E-17 GRAD(Rho)y -0.2093362E-17 GRAD(Rho)z 0.9376390E-18 Laplacian 0.1790533E-01 (-1/4)Del**2(Rho)) -0.4476333E-02 Diamond 0.1562905E-03 Metallicity 0.4415989E+00 Ellipticity -0.2884288E+00 Gb(Abramov) 0.3313680E-02 Vb(Abramov) -0.2151026E-02 Hb(Abramov) 0.1162654E-02 Ex_ueg -0.5201990E-03 Ec_ueg -0.1179186E-03 Delta_ex -0.6549065E-03 Delta_ec 0.1871421E-03 Delta_et -0.1127200E-02 Pxc 0.4411508E+01 Qxc -0.3499514E+01 3,+3 100 3 +1 1.686587 0.533935 0.551278 Rho 0.8363458E-02 |GRAD(Rho)| 0.7531887E-17 GRAD(Rho)x -0.4255494E-17 GRAD(Rho)y -0.9147956E-19 GRAD(Rho)z -0.6213834E-17 Laplacian 0.3476447E-01 (-1/4)Del**2(Rho)) -0.8691118E-02 Diamond 0.9654963E-03 Metallicity 0.6830524E+00 Ellipticity -0.1446695E+01 Gb(Abramov) 0.6783493E-02 Vb(Abramov) -0.4875869E-02 Hb(Abramov) 0.1907624E-02 Ex_ueg -0.1253813E-02 Ec_ueg -0.2944091E-03 Delta_ex -0.1609681E-02 Delta_ec 0.5475116E-03 Delta_et -0.3667673E-02 Pxc 0.4258746E+01 Qxc -0.2939995E+01 3,+1 101 3 -1 1.835951 0.570758 2.786801 Rho 0.1251475E+00 |GRAD(Rho)| 0.1310322E-16 GRAD(Rho)x 0.1185846E-16 GRAD(Rho)y 0.4228388E-17 GRAD(Rho)z 0.3632077E-17 Laplacian 0.5220768E+00 (-1/4)Del**2(Rho)) -0.1305192E+00 Diamond 0.8445593E+00 Metallicity 0.4132846E+01 Ellipticity 0.7304965E-02 Gb(Abramov) 0.1769154E+00 Vb(Abramov) -0.2233116E+00 Hb(Abramov) -0.4639622E-01 Ex_ueg -0.4623257E-01 Ec_ueg -0.6872139E-02 Delta_ex -0.5357077E-01 Delta_ec 0.1369298E-01 Delta_et -0.1770085E+00 Pxc 0.6727538E+01 Qxc -0.3912280E+01 3,-1 102 3 -1 1.985788 0.838723 -2.968260 Rho 0.1444077E+00 |GRAD(Rho)| 0.2319366E-10 GRAD(Rho)x -0.1438528E-10 GRAD(Rho)y 0.1766937E-10 GRAD(Rho)z -0.4336248E-11 Laplacian 0.5764493E+00 (-1/4)Del**2(Rho)) -0.1441123E+00 Diamond 0.1120742E+01 Metallicity 0.4751557E+01 Ellipticity 0.3015414E-01 Gb(Abramov) 0.2102012E+00 Vb(Abramov) -0.2762901E+00 Hb(Abramov) -0.6608887E-01 Ex_ueg -0.5595499E-01 Ec_ueg -0.8086492E-02 Delta_ex -0.6138023E-01 Delta_ec 0.1485135E-01 Delta_et -0.1968255E+00 Pxc 0.6919563E+01 Qxc -0.4132972E+01 3,-1 103 3 +1 1.682795 -0.543437 -0.540897 Rho 0.8712416E-02 |GRAD(Rho)| 0.3559488E-16 GRAD(Rho)x 0.2828412E-16 GRAD(Rho)y 0.2153666E-16 GRAD(Rho)z 0.1782157E-17 Laplacian 0.3624925E-01 (-1/4)Del**2(Rho)) -0.9062312E-02 Diamond 0.1038484E-02 Metallicity 0.7012590E+00 Ellipticity -0.1434918E+01 Gb(Abramov) 0.7100713E-02 Vb(Abramov) -0.5139114E-02 Hb(Abramov) 0.1961599E-02 Ex_ueg -0.1324046E-02 Ec_ueg -0.3100127E-03 Delta_ex -0.1684086E-02 Delta_ec 0.5504755E-03 Delta_et -0.3742374E-02 Pxc 0.4270942E+01 Qxc -0.3059329E+01 3,+1 104 3 +1 1.188198 -2.118232 1.177777 Rho 0.2577509E-01 |GRAD(Rho)| 0.1754897E-16 GRAD(Rho)x -0.9280006E-17 GRAD(Rho)y 0.1456805E-16 GRAD(Rho)z 0.3101569E-17 Laplacian 0.1041013E+00 (-1/4)Del**2(Rho)) -0.2602532E-01 Diamond 0.1547099E-01 Metallicity 0.1488759E+01 Ellipticity -0.6492338E+01 Gb(Abramov) 0.2380778E-01 Vb(Abramov) -0.2159024E-01 Hb(Abramov) 0.2217537E-02 Ex_ueg -0.5623224E-02 Ec_ueg -0.1127818E-02 Delta_ex -0.6660149E-02 Delta_ec 0.2003167E-02 Delta_et -0.1776486E-01 Pxc 0.4985934E+01 Qxc -0.3324810E+01 3,+1 105 3 -1 3.180729 -3.207334 -0.067497 Rho 0.2536000E+00 |GRAD(Rho)| 0.3914293E-14 GRAD(Rho)x 0.7603510E-15 GRAD(Rho)y -0.3146246E-14 GRAD(Rho)z -0.2201066E-14 Laplacian 0.9138357E+00 (-1/4)Del**2(Rho)) -0.2284589E+00 Diamond 0.3447869E+01 Metallicity 0.7661735E+01 Ellipticity 0.9895092E-03 Gb(Abramov) 0.4440379E+00 Vb(Abramov) -0.6596169E+00 Hb(Abramov) -0.2155790E+00 Ex_ueg -0.1185543E+00 Ec_ueg -0.1538430E-01 Delta_ex -0.1119870E+00 Delta_ec 0.1980403E-01 Delta_et -0.2744757E+00 Pxc 0.7706187E+01 Qxc -0.5654758E+01 3,-1 106 3 -1 -2.982112 -0.839436 -1.981418 Rho 0.1346043E+00 |GRAD(Rho)| 0.2186669E-15 GRAD(Rho)x -0.1152575E-15 GRAD(Rho)y -0.1822002E-15 GRAD(Rho)z -0.3652406E-16 Laplacian 0.5334210E+00 (-1/4)Del**2(Rho)) -0.1333552E+00 Diamond 0.9417600E+00 Metallicity 0.4567106E+01 Ellipticity 0.4458050E-01 Gb(Abramov) 0.1904114E+00 Vb(Abramov) -0.2474676E+00 Hb(Abramov) -0.5705616E-01 Ex_ueg -0.5094835E-01 Ec_ueg -0.7465373E-02 Delta_ex -0.5570563E-01 Delta_ec 0.1374633E-01 Delta_et -0.1797812E+00 Pxc 0.6824622E+01 Qxc -0.4052399E+01 3,-1 107 3 +1 -2.000530 -1.993185 -2.006307 Rho 0.1246572E-01 |GRAD(Rho)| 0.8689134E-17 GRAD(Rho)x -0.4630749E-17 GRAD(Rho)y 0.2470230E-17 GRAD(Rho)z 0.6924968E-17 Laplacian 0.5902267E-01 (-1/4)Del**2(Rho)) -0.1475567E-01 Diamond 0.2068132E-02 Metallicity 0.7824500E+00 Ellipticity -0.1159659E+01 Gb(Abramov) 0.1176137E-01 Vb(Abramov) -0.8767080E-02 Hb(Abramov) 0.2994294E-02 Ex_ueg -0.2134723E-02 Ec_ueg -0.4811107E-03 Delta_ex -0.2814166E-02 Delta_ec 0.5583141E-03 Delta_et -0.4381899E-02 Pxc 0.4437072E+01 Qxc -0.5040471E+01 3,+1 108 3 -1 -1.988415 0.842780 2.965981 Rho 0.1442364E+00 |GRAD(Rho)| 0.2539988E-15 GRAD(Rho)x 0.6868421E-16 GRAD(Rho)y -0.1962677E-15 GRAD(Rho)z -0.1458658E-15 Laplacian 0.5736521E+00 (-1/4)Del**2(Rho)) -0.1434130E+00 Diamond 0.1115166E+01 Metallicity 0.4765293E+01 Ellipticity 0.3168131E-01 Gb(Abramov) 0.2095095E+00 Vb(Abramov) -0.2756060E+00 Hb(Abramov) -0.6609650E-01 Ex_ueg -0.5586653E-01 Ec_ueg -0.8075590E-02 Delta_ex -0.6107992E-01 Delta_ec 0.1481078E-01 Delta_et -0.1963124E+00 Pxc 0.6917951E+01 Qxc -0.4124018E+01 3,-1 109 3 -1 -3.217084 0.066722 -3.182473 Rho 0.2428735E+00 |GRAD(Rho)| 0.3457176E-14 GRAD(Rho)x -0.3034682E-14 GRAD(Rho)y -0.7934327E-15 GRAD(Rho)z -0.1453698E-14 Laplacian 0.8558328E+00 (-1/4)Del**2(Rho)) -0.2139582E+00 Diamond 0.3095313E+01 Metallicity 0.7612449E+01 Ellipticity 0.7145417E-03 Gb(Abramov) 0.4140965E+00 Vb(Abramov) -0.6142348E+00 Hb(Abramov) -0.2001383E+00 Ex_ueg -0.1119159E+00 Ec_ueg -0.1463798E-01 Delta_ex -0.1038541E+00 Delta_ec 0.1907128E-01 Delta_et -0.2653125E+00 Pxc 0.7645587E+01 Qxc -0.5445575E+01 3,-1 110 3 -1 -3.204692 -0.060578 3.182112 Rho 0.2535454E+00 |GRAD(Rho)| 0.1009701E-14 GRAD(Rho)x 0.2331035E-15 GRAD(Rho)y 0.1420847E-15 GRAD(Rho)z -0.9720957E-15 Laplacian 0.9146960E+00 (-1/4)Del**2(Rho)) -0.2286740E+00 Diamond 0.3449217E+01 Metallicity 0.7651781E+01 Ellipticity 0.9336190E-03 Gb(Abramov) 0.4440765E+00 Vb(Abramov) -0.6594791E+00 Hb(Abramov) -0.2154025E+00 Ex_ueg -0.1185203E+00 Ec_ueg -0.1538049E-01 Delta_ex -0.1120811E+00 Delta_ec 0.1981512E-01 Delta_et -0.2745864E+00 Pxc 0.7705885E+01 Qxc -0.5656342E+01 3,-1 111 3 -1 -1.828702 0.573032 -2.786713 Rho 0.1283820E+00 |GRAD(Rho)| 0.6166751E-13 GRAD(Rho)x 0.5420187E-13 GRAD(Rho)y 0.8413016E-14 GRAD(Rho)z 0.2818263E-13 Laplacian 0.5392261E+00 (-1/4)Del**2(Rho)) -0.1348065E+00 Diamond 0.8979941E+00 Metallicity 0.4175252E+01 Ellipticity 0.6432544E-02 Gb(Abramov) 0.1836795E+00 Vb(Abramov) -0.2325526E+00 Hb(Abramov) -0.4887303E-01 Ex_ueg -0.4783261E-01 Ec_ueg -0.7074375E-02 Delta_ex -0.5565349E-01 Delta_ec 0.1402479E-01 Delta_et -0.1819983E+00 Pxc 0.6761390E+01 Qxc -0.3968222E+01 3,-1 112 3 +1 1.758648 -1.756959 -1.750580 Rho 0.1239634E-01 |GRAD(Rho)| 0.2182119E-16 GRAD(Rho)x 0.2098551E-17 GRAD(Rho)y 0.1205945E-16 GRAD(Rho)z -0.1806461E-16 Laplacian 0.6258739E-01 (-1/4)Del**2(Rho)) -0.1564685E-01 Diamond 0.2607780E-02 Metallicity 0.7310532E+00 Ellipticity -0.1245610E+01 Gb(Abramov) 0.1233768E-01 Vb(Abramov) -0.9028509E-02 Hb(Abramov) 0.3309170E-02 Ex_ueg -0.2118897E-02 Ec_ueg -0.4778964E-03 Delta_ex -0.3098971E-02 Delta_ec 0.8052568E-03 Delta_et -0.6091568E-02 Pxc 0.4433800E+01 Qxc -0.3848426E+01 3,+1 113 3 -1 -2.792342 0.582449 -1.815405 Rho 0.1395731E+00 |GRAD(Rho)| 0.2058362E-11 GRAD(Rho)x 0.4240752E-12 GRAD(Rho)y -0.1360223E-11 GRAD(Rho)z -0.1485533E-11 Laplacian 0.5893522E+00 (-1/4)Del**2(Rho)) -0.1473380E+00 Diamond 0.1080422E+01 Metallicity 0.4391110E+01 Ellipticity 0.1788408E-01 Gb(Abramov) 0.2060549E+00 Vb(Abramov) -0.2647719E+00 Hb(Abramov) -0.5871691E-01 Ex_ueg -0.5347128E-01 Ec_ueg -0.7779418E-02 Delta_ex -0.6202187E-01 Delta_ec 0.1492898E-01 Delta_et -0.1960615E+00 Pxc 0.6873429E+01 Qxc -0.4154460E+01 3,-1 114 3 -1 -0.844603 -2.970272 -1.986414 Rho 0.1426804E+00 |GRAD(Rho)| 0.1112969E-11 GRAD(Rho)x 0.7931973E-12 GRAD(Rho)y 0.4723294E-12 GRAD(Rho)z -0.6216459E-12 Laplacian 0.5680635E+00 (-1/4)Del**2(Rho)) -0.1420159E+00 Diamond 0.1089748E+01 Metallicity 0.4725960E+01 Ellipticity 0.2898347E-01 Gb(Abramov) 0.2065375E+00 Vb(Abramov) -0.2710590E+00 Hb(Abramov) -0.6452159E-01 Ex_ueg -0.5506437E-01 Ec_ueg -0.7976611E-02 Delta_ex -0.6032226E-01 Delta_ec 0.1470050E-01 Delta_et -0.1945267E+00 Pxc 0.6903229E+01 Qxc -0.4103417E+01 3,-1 115 3 +3 -1.847965 -1.833056 -1.851668 Rho 0.1220915E-01 |GRAD(Rho)| 0.6843049E-17 GRAD(Rho)x -0.4270823E-17 GRAD(Rho)y -0.3998790E-17 GRAD(Rho)z -0.3549235E-17 Laplacian 0.5604859E-01 (-1/4)Del**2(Rho)) -0.1401215E-01 Diamond 0.1251343E-02 Metallicity 0.7958987E+00 Ellipticity -0.6888871E+00 Gb(Abramov) 0.1120014E-01 Vb(Abramov) -0.8388132E-02 Hb(Abramov) 0.2812007E-02 Ex_ueg -0.2076343E-02 Ec_ueg -0.4692329E-03 Delta_ex -0.2471567E-02 Delta_ec 0.1989173E-03 Delta_et -0.1900293E-02 Pxc 0.4424974E+01 Qxc -0.1242510E+02 3,+3 116 3 +1 -0.075542 -2.906149 -0.075431 Rho 0.5080479E-02 |GRAD(Rho)| 0.1716108E-15 GRAD(Rho)x -0.1194570E-15 GRAD(Rho)y 0.4322226E-17 GRAD(Rho)z -0.1231324E-15 Laplacian 0.2076850E-01 (-1/4)Del**2(Rho)) -0.5192124E-02 Diamond 0.5310492E-03 Metallicity 0.4981756E+00 Ellipticity -0.7800670E+01 Gb(Abramov) 0.3892515E-02 Vb(Abramov) -0.2592905E-02 Hb(Abramov) 0.1299610E-02 Ex_ueg -0.6450468E-03 Ec_ueg -0.1503778E-03 Delta_ex -0.1068700E-02 Delta_ec 0.7127631E-03 Delta_et -0.3865784E-02 Pxc 0.4289509E+01 Qxc -0.1499377E+01 3,+1 117 3 +3 -0.000296 -2.365614 -0.000468 Rho 0.4519268E-02 |GRAD(Rho)| 0.2825333E-17 GRAD(Rho)x -0.5641370E-18 GRAD(Rho)y 0.2642056E-17 GRAD(Rho)z 0.8269209E-18 Laplacian 0.1874253E-01 (-1/4)Del**2(Rho)) -0.4685632E-02 Diamond 0.1725376E-03 Metallicity 0.4541839E+00 Ellipticity -0.2849935E+00 Gb(Abramov) 0.3478445E-02 Vb(Abramov) -0.2271257E-02 Hb(Abramov) 0.1207188E-02 Ex_ueg -0.5518349E-03 Ec_ueg -0.1262839E-03 Delta_ex -0.6919061E-03 Delta_ec 0.1936593E-03 Delta_et -0.1182152E-02 Pxc 0.4369794E+01 Qxc -0.3572801E+01 3,+3 118 3 +1 -1.187733 -2.125121 -1.179258 Rho 0.2598332E-01 |GRAD(Rho)| 0.2536001E-16 GRAD(Rho)x -0.1656027E-16 GRAD(Rho)y -0.1356656E-16 GRAD(Rho)z 0.1359546E-16 Laplacian 0.1050554E+00 (-1/4)Del**2(Rho)) -0.2626385E-01 Diamond 0.1574153E-01 Metallicity 0.1495153E+01 Ellipticity -0.6392777E+01 Gb(Abramov) 0.2405398E-01 Vb(Abramov) -0.2184411E-01 Hb(Abramov) 0.2209870E-02 Ex_ueg -0.5683875E-02 Ec_ueg -0.1138349E-02 Delta_ex -0.6730781E-02 Delta_ec 0.2013287E-02 Delta_et -0.1789256E-01 Pxc 0.4993086E+01 Qxc -0.3343181E+01 3,+1 119 3 +1 -1.756230 -1.753595 1.753369 Rho 0.1238069E-01 |GRAD(Rho)| 0.2333322E-16 GRAD(Rho)x 0.1296333E-16 GRAD(Rho)y -0.1462714E-16 GRAD(Rho)z -0.1274511E-16 Laplacian 0.6248220E-01 (-1/4)Del**2(Rho)) -0.1562055E-01 Diamond 0.2598345E-02 Metallicity 0.7307433E+00 Ellipticity -0.1242723E+01 Gb(Abramov) 0.1231614E-01 Vb(Abramov) -0.9011721E-02 Hb(Abramov) 0.3304415E-02 Ex_ueg -0.2115330E-02 Ec_ueg -0.4771713E-03 Delta_ex -0.3092578E-02 Delta_ec 0.8036354E-03 Delta_et -0.6077640E-02 Pxc 0.4433062E+01 Qxc -0.3848235E+01 3,+1 120 3 -1 -0.581538 1.798788 -2.798829 Rho 0.1487916E+00 |GRAD(Rho)| 0.3364338E-15 GRAD(Rho)x -0.1349154E-15 GRAD(Rho)y -0.2451652E-15 GRAD(Rho)z -0.1867606E-15 Laplacian 0.6246861E+00 (-1/4)Del**2(Rho)) -0.1561715E+00 Diamond 0.1254078E+01 Metallicity 0.4608737E+01 Ellipticity 0.1272630E-01 Gb(Abramov) 0.2240733E+00 Vb(Abramov) -0.2919750E+00 Hb(Abramov) -0.6790174E-01 Ex_ueg -0.5823126E-01 Ec_ueg -0.8366203E-02 Delta_ex -0.6695615E-01 Delta_ec 0.1588860E-01 Delta_et -0.2112856E+00 Pxc 0.6960298E+01 Qxc -0.4214100E+01 3,-1 121 3 -1 -0.835862 1.978267 2.980981 Rho 0.1326872E+00 |GRAD(Rho)| 0.9607749E-14 GRAD(Rho)x -0.9253503E-14 GRAD(Rho)y 0.1326657E-15 GRAD(Rho)z 0.2581458E-14 Laplacian 0.5257841E+00 (-1/4)Del**2(Rho)) -0.1314460E+00 Diamond 0.9128420E+00 Metallicity 0.4523979E+01 Ellipticity 0.4134206E-01 Gb(Abramov) 0.1867405E+00 Vb(Abramov) -0.2420350E+00 Hb(Abramov) -0.5529450E-01 Ex_ueg -0.4998315E-01 Ec_ueg -0.7344634E-02 Delta_ex -0.5472238E-01 Delta_ec 0.1360554E-01 Delta_et -0.1775603E+00 Pxc 0.6805397E+01 Qxc -0.4022067E+01 3,-1 122 3 -1 -0.580269 2.771142 -1.822147 Rho 0.1438462E+00 |GRAD(Rho)| 0.1671645E-15 GRAD(Rho)x 0.1498638E-15 GRAD(Rho)y -0.5685285E-16 GRAD(Rho)z 0.4746095E-16 Laplacian 0.6080251E+00 (-1/4)Del**2(Rho)) -0.1520063E+00 Diamond 0.1176122E+01 Metallicity 0.4475643E+01 Ellipticity 0.7753472E-02 Gb(Abramov) 0.2147252E+00 Vb(Abramov) -0.2774440E+00 Hb(Abramov) -0.6271888E-01 Ex_ueg -0.5566507E-01 Ec_ueg -0.8050751E-02 Delta_ex -0.6467569E-01 Delta_ec 0.1567059E-01 Delta_et -0.2075438E+00 Pxc 0.6914271E+01 Qxc -0.4127203E+01 3,-1 123 3 -1 -0.821597 2.963272 1.995285 Rho 0.1240130E+00 |GRAD(Rho)| 0.1276403E-15 GRAD(Rho)x 0.1046933E-15 GRAD(Rho)y -0.3104206E-16 GRAD(Rho)z 0.6608890E-16 Laplacian 0.4909700E+00 (-1/4)Del**2(Rho)) -0.1227425E+00 Diamond 0.7863301E+00 Metallicity 0.4328495E+01 Ellipticity 0.3001472E-01 Gb(Abramov) 0.1703767E+00 Vb(Abramov) -0.2180110E+00 Hb(Abramov) -0.4763422E-01 Ex_ueg -0.4567460E-01 Ec_ueg -0.6801372E-02 Delta_ex -0.5027825E-01 Delta_ec 0.1292188E-01 Delta_et -0.1668170E+00 Pxc 0.6715498E+01 Qxc -0.3890939E+01 3,-1 124 3 +1 0.065873 -0.052467 2.918327 Rho 0.4851404E-02 |GRAD(Rho)| 0.3985746E-17 GRAD(Rho)x 0.5751354E-18 GRAD(Rho)y -0.3940133E-17 GRAD(Rho)z -0.1753358E-18 Laplacian 0.1980393E-01 (-1/4)Del**2(Rho)) -0.4950982E-02 Diamond 0.4879119E-03 Metallicity 0.4837723E+00 Ellipticity -0.9351479E+01 Gb(Abramov) 0.3699846E-02 Vb(Abramov) -0.2448710E-02 Hb(Abramov) 0.1251136E-02 Ex_ueg -0.6065618E-03 Ec_ueg -0.1405237E-03 Delta_ex -0.1021886E-02 Delta_ec 0.7003042E-03 Delta_et -0.3737819E-02 Pxc 0.4316436E+01 Qxc -0.1459203E+01 3,+1 125 3 -1 0.358561 -0.375636 0.362623 Rho 0.2030096E+00 |GRAD(Rho)| 0.3829057E-11 GRAD(Rho)x -0.2099529E-11 GRAD(Rho)y 0.2428943E-11 GRAD(Rho)z -0.2086598E-11 Laplacian 0.7307589E+00 (-1/4)Del**2(Rho)) -0.1826897E+00 Diamond 0.2367887E+01 Metallicity 0.6612514E+01 Ellipticity 0.2832948E-02 Gb(Abramov) 0.3231329E+00 Vb(Abramov) -0.4635761E+00 Hb(Abramov) -0.1404432E+00 Ex_ueg -0.8811986E-01 Ec_ueg -0.1191967E-01 Delta_ex -0.8624451E-01 Delta_ec 0.1995990E-01 Delta_et -0.2846776E+00 Pxc 0.7392810E+01 Qxc -0.4320889E+01 3,-1 126 3 +1 2.003846 -1.988176 2.007641 Rho 0.1245845E-01 |GRAD(Rho)| 0.1245390E-16 GRAD(Rho)x 0.9365471E-17 GRAD(Rho)y -0.2603745E-17 GRAD(Rho)z -0.7785124E-17 Laplacian 0.5901142E-01 (-1/4)Del**2(Rho)) -0.1475286E-01 Diamond 0.2073341E-02 Metallicity 0.7818389E+00 Ellipticity -0.1159960E+01 Gb(Abramov) 0.1175763E-01 Vb(Abramov) -0.8762404E-02 Hb(Abramov) 0.2995226E-02 Ex_ueg -0.2133064E-02 Ec_ueg -0.4807740E-03 Delta_ex -0.2815175E-02 Delta_ec 0.5617742E-03 Delta_et -0.4404820E-02 Pxc 0.4436730E+01 Qxc -0.5011222E+01 3,+1 127 3 -1 1.965230 2.979465 -0.846608 Rho 0.1469005E+00 |GRAD(Rho)| 0.2971973E-13 GRAD(Rho)x 0.2160548E-13 GRAD(Rho)y -0.4289537E-14 GRAD(Rho)z 0.1995158E-13 Laplacian 0.5862698E+00 (-1/4)Del**2(Rho)) -0.1465675E+00 Diamond 0.1162395E+01 Metallicity 0.4807149E+01 Ellipticity 0.3312214E-01 Gb(Abramov) 0.2151402E+00 Vb(Abramov) -0.2837130E+00 Hb(Abramov) -0.6857278E-01 Ex_ueg -0.5724655E-01 Ec_ueg -0.8245395E-02 Delta_ex -0.6267633E-01 Delta_ec 0.1502062E-01 Delta_et -0.1995199E+00 Pxc 0.6942850E+01 Qxc -0.4172687E+01 3,-1 128 3 -1 1.802819 2.792828 0.578481 Rho 0.1458168E+00 |GRAD(Rho)| 0.2924652E-15 GRAD(Rho)x 0.1724424E-15 GRAD(Rho)y 0.1590931E-15 GRAD(Rho)z -0.1746108E-15 Laplacian 0.6131701E+00 (-1/4)Del**2(Rho)) -0.1532925E+00 Diamond 0.1203101E+01 Metallicity 0.4539885E+01 Ellipticity 0.1265699E-01 Gb(Abramov) 0.2181834E+00 Vb(Abramov) -0.2830743E+00 Hb(Abramov) -0.6489090E-01 Ex_ueg -0.5668418E-01 Ec_ueg -0.8176270E-02 Delta_ex -0.6541417E-01 Delta_ec 0.1570403E-01 Delta_et -0.2082989E+00 Pxc 0.6932768E+01 Qxc -0.4165439E+01 3,-1 129 3 -1 2.776323 -1.813116 -0.574826 Rho 0.1439227E+00 |GRAD(Rho)| 0.6478607E-14 GRAD(Rho)x -0.1339715E-14 GRAD(Rho)y -0.4982099E-14 GRAD(Rho)z 0.3918700E-14 Laplacian 0.6074194E+00 (-1/4)Del**2(Rho)) -0.1518549E+00 Diamond 0.1174895E+01 Metallicity 0.4484079E+01 Ellipticity 0.8158264E-02 Gb(Abramov) 0.2147248E+00 Vb(Abramov) -0.2775947E+00 Hb(Abramov) -0.6286991E-01 Ex_ueg -0.5570456E-01 Ec_ueg -0.8055621E-02 Delta_ex -0.6461116E-01 Delta_ec 0.1563779E-01 Delta_et -0.2070930E+00 Pxc 0.6914993E+01 Qxc -0.4131732E+01 3,-1 130 3 -1 2.966824 -1.986499 0.836014 Rho 0.1377370E+00 |GRAD(Rho)| 0.2029563E-15 GRAD(Rho)x 0.6212478E-16 GRAD(Rho)y -0.1882310E-15 GRAD(Rho)z -0.4359848E-16 Laplacian 0.5472615E+00 (-1/4)Del**2(Rho)) -0.1368154E+00 Diamond 0.1007632E+01 Metallicity 0.4625611E+01 Ellipticity 0.2476998E-01 Gb(Abramov) 0.1966860E+00 Vb(Abramov) -0.2565567E+00 Hb(Abramov) -0.5987067E-01 Ex_ueg -0.5253545E-01 Ec_ueg -0.7663186E-02 Delta_ex -0.5763193E-01 Delta_ec 0.1431051E-01 Delta_et -0.1884066E+00 Pxc 0.6855562E+01 Qxc -0.4027246E+01 3,-1 131 3 +1 2.905716 -0.081365 0.101536 Rho 0.4875214E-02 |GRAD(Rho)| 0.2267858E-13 GRAD(Rho)x 0.6787034E-14 GRAD(Rho)y -0.2149422E-13 GRAD(Rho)z 0.2500567E-14 Laplacian 0.2006961E-01 (-1/4)Del**2(Rho)) -0.5017401E-02 Diamond 0.4816858E-03 Metallicity 0.4812793E+00 Ellipticity -0.4655625E+01 Gb(Abramov) 0.3747396E-02 Vb(Abramov) -0.2477391E-02 Hb(Abramov) 0.1270005E-02 Ex_ueg -0.6105342E-03 Ec_ueg -0.1415467E-03 Delta_ex -0.1021130E-02 Delta_ec 0.6822066E-03 Delta_et -0.3656570E-02 Pxc 0.4313305E+01 Qxc -0.1496805E+01 3,+1 132 3 +1 2.110261 -1.071131 1.299769 Rho 0.2435105E-01 |GRAD(Rho)| 0.1463585E-15 GRAD(Rho)x 0.1225571E-15 GRAD(Rho)y -0.5546186E-16 GRAD(Rho)z 0.5765898E-16 Laplacian 0.9728952E-01 (-1/4)Del**2(Rho)) -0.2432238E-01 Diamond 0.1297642E-01 Metallicity 0.1449027E+01 Ellipticity -0.4484317E+01 Gb(Abramov) 0.2208889E-01 Vb(Abramov) -0.1985539E-01 Hb(Abramov) 0.2233495E-02 Ex_ueg -0.5212851E-02 Ec_ueg -0.1056096E-02 Delta_ex -0.6087798E-02 Delta_ec 0.1792401E-02 Delta_et -0.1568479E-01 Pxc 0.4935962E+01 Qxc -0.3396448E+01 3,+1 133 3 -1 2.986287 -0.843415 1.979281 Rho 0.1387709E+00 |GRAD(Rho)| 0.9644266E-15 GRAD(Rho)x 0.4041228E-15 GRAD(Rho)y -0.6583005E-15 GRAD(Rho)z -0.5774461E-15 Laplacian 0.5507138E+00 (-1/4)Del**2(Rho)) -0.1376784E+00 Diamond 0.1007786E+01 Metallicity 0.4654266E+01 Ellipticity 0.4853251E-01 Gb(Abramov) 0.1985843E+00 Vb(Abramov) -0.2594902E+00 Hb(Abramov) -0.6090587E-01 Ex_ueg -0.5306191E-01 Ec_ueg -0.7728611E-02 Delta_ex -0.5793117E-01 Delta_ec 0.1407186E-01 Delta_et -0.1848619E+00 Pxc 0.6865647E+01 Qxc -0.4116810E+01 3,-1 134 3 -1 1.797030 -2.787398 -0.582483 Rho 0.1492828E+00 |GRAD(Rho)| 0.3846946E-15 GRAD(Rho)x 0.3187825E-15 GRAD(Rho)y 0.4435065E-16 GRAD(Rho)z 0.2107147E-15 Laplacian 0.6303439E+00 (-1/4)Del**2(Rho)) -0.1575860E+00 Diamond 0.1270495E+01 Metallicity 0.4592529E+01 Ellipticity 0.1071434E-01 Gb(Abramov) 0.2256770E+00 Vb(Abramov) -0.2937680E+00 Hb(Abramov) -0.6809103E-01 Ex_ueg -0.5848773E-01 Ec_ueg -0.8397619E-02 Delta_ex -0.6761768E-01 Delta_ec 0.1602010E-01 Delta_et -0.2131345E+00 Pxc 0.6964799E+01 Qxc -0.4220801E+01 3,-1 135 3 -1 -2.784968 -0.577790 1.796654 Rho 0.1430652E+00 |GRAD(Rho)| 0.2602588E-12 GRAD(Rho)x -0.1969490E-12 GRAD(Rho)y 0.6190396E-13 GRAD(Rho)z -0.1584728E-12 Laplacian 0.6042594E+00 (-1/4)Del**2(Rho)) -0.1510648E+00 Diamond 0.1159883E+01 Metallicity 0.4462859E+01 Ellipticity 0.8098773E-02 Gb(Abramov) 0.2130734E+00 Vb(Abramov) -0.2750820E+00 Hb(Abramov) -0.6200857E-01 Ex_ueg -0.5526249E-01 Ec_ueg -0.8001076E-02 Delta_ex -0.6417560E-01 Delta_ec 0.1556898E-01 Delta_et -0.2059780E+00 Pxc 0.6906882E+01 Qxc -0.4122018E+01 3,-1 136 3 -1 -2.979350 0.841589 1.963397 Rho 0.1426777E+00 |GRAD(Rho)| 0.3853571E-14 GRAD(Rho)x 0.1374037E-14 GRAD(Rho)y -0.2896175E-14 GRAD(Rho)z 0.2138738E-14 Laplacian 0.5692101E+00 (-1/4)Del**2(Rho)) -0.1423025E+00 Diamond 0.1091240E+01 Metallicity 0.4716291E+01 Ellipticity 0.3004756E-01 Gb(Abramov) 0.2067250E+00 Vb(Abramov) -0.2711476E+00 Hb(Abramov) -0.6442252E-01 Ex_ueg -0.5506299E-01 Ec_ueg -0.7976440E-02 Delta_ex -0.6043648E-01 Delta_ec 0.1471726E-01 Delta_et -0.1947203E+00 Pxc 0.6903203E+01 Qxc -0.4106503E+01 3,-1 137 3 -1 -1.679004 -1.699693 -0.491252 Rho 0.4094710E-01 |GRAD(Rho)| 0.1494393E-15 GRAD(Rho)x 0.5061805E-16 GRAD(Rho)y 0.1287096E-15 GRAD(Rho)z -0.5660181E-16 Laplacian 0.1623704E+00 (-1/4)Del**2(Rho)) -0.4059260E-01 Diamond 0.6188684E-01 Metallicity 0.2064484E+01 Ellipticity 0.1108389E-01 Gb(Abramov) 0.4102886E-01 Vb(Abramov) -0.4146512E-01 Hb(Abramov) -0.4362598E-03 Ex_ueg -0.1042355E-01 Ec_ueg -0.1920940E-02 Delta_ex -0.1266645E-01 Delta_ec 0.4759574E-02 Delta_et -0.4758971E-01 Pxc 0.5426277E+01 Qxc -0.2661257E+01 3,-1 138 3 -1 -1.799108 -2.784727 0.577865 Rho 0.1446105E+00 |GRAD(Rho)| 0.3362184E-15 GRAD(Rho)x -0.2832885E-15 GRAD(Rho)y 0.1204481E-15 GRAD(Rho)z -0.1352136E-15 Laplacian 0.6106750E+00 (-1/4)Del**2(Rho)) -0.1526688E+00 Diamond 0.1186427E+01 Metallicity 0.4495756E+01 Ellipticity 0.9216871E-02 Gb(Abramov) 0.2161728E+00 Vb(Abramov) -0.2796767E+00 Hb(Abramov) -0.6350399E-01 Ex_ueg -0.5605980E-01 Ec_ueg -0.8099406E-02 Delta_ex -0.6501696E-01 Delta_ec 0.1567430E-01 Delta_et -0.2076587E+00 Pxc 0.6921470E+01 Qxc -0.4147998E+01 3,-1 139 3 -1 -1.686048 1.686414 0.492578 Rho 0.4015890E-01 |GRAD(Rho)| 0.8554686E-16 GRAD(Rho)x -0.4391760E-16 GRAD(Rho)y 0.6601224E-16 GRAD(Rho)z -0.3212309E-16 Laplacian 0.1593215E+00 (-1/4)Del**2(Rho)) -0.3983039E-01 Diamond 0.5915545E-01 Metallicity 0.2036925E+01 Ellipticity 0.1140456E-01 Gb(Abramov) 0.4007551E-01 Vb(Abramov) -0.4032063E-01 Hb(Abramov) -0.2451221E-03 Ex_ueg -0.1015689E-01 Ec_ueg -0.1878591E-02 Delta_ex -0.1236949E-01 Delta_ec 0.4672341E-02 Delta_et -0.4647500E-01 Pxc 0.5406655E+01 Qxc -0.2647386E+01 3,-1 140 3 -1 -0.849727 -1.968770 -2.986051 Rho 0.1510740E+00 |GRAD(Rho)| 0.3771035E-15 GRAD(Rho)x 0.2571185E-15 GRAD(Rho)y -0.2625396E-15 GRAD(Rho)z -0.8467619E-16 Laplacian 0.6000581E+00 (-1/4)Del**2(Rho)) -0.1500145E+00 Diamond 0.1231114E+01 Metallicity 0.4921183E+01 Ellipticity 0.4017783E-01 Gb(Abramov) 0.2230512E+00 Vb(Abramov) -0.2960878E+00 Hb(Abramov) -0.7303664E-01 Ex_ueg -0.5942531E-01 Ec_ueg -0.8512302E-02 Delta_ex -0.6459944E-01 Delta_ec 0.1527945E-01 Delta_et -0.2037909E+00 Pxc 0.6981109E+01 Qxc -0.4227864E+01 3,-1 141 3 -1 -0.576035 -1.799001 2.785026 Rho 0.1428077E+00 |GRAD(Rho)| 0.3124956E-15 GRAD(Rho)x 0.2207707E-16 GRAD(Rho)y 0.3108950E-15 GRAD(Rho)z -0.2259206E-16 Laplacian 0.6034708E+00 (-1/4)Del**2(Rho)) -0.1508677E+00 Diamond 0.1156589E+01 Metallicity 0.4455293E+01 Ellipticity 0.8841198E-02 Gb(Abramov) 0.2126051E+00 Vb(Abramov) -0.2743425E+00 Hb(Abramov) -0.6173741E-01 Ex_ueg -0.5512990E-01 Ec_ueg -0.7984705E-02 Delta_ex -0.6407136E-01 Delta_ec 0.1556924E-01 Delta_et -0.2059559E+00 Pxc 0.6904439E+01 Qxc -0.4115252E+01 3,-1 142 3 -1 -0.492459 -1.687949 -1.695991 Rho 0.4176682E-01 |GRAD(Rho)| 0.6187856E-14 GRAD(Rho)x 0.1800787E-14 GRAD(Rho)y -0.4134208E-14 GRAD(Rho)z -0.4237340E-14 Laplacian 0.1666805E+00 (-1/4)Del**2(Rho)) -0.4167012E-01 Diamond 0.6544428E-01 Metallicity 0.2078647E+01 Ellipticity 0.1082249E-01 Gb(Abramov) 0.4221633E-01 Vb(Abramov) -0.4276253E-01 Hb(Abramov) -0.5462039E-03 Ex_ueg -0.1070271E-01 Ec_ueg -0.1965102E-02 Delta_ex -0.1307687E-01 Delta_ec 0.4902749E-02 Delta_et -0.4928421E-01 Pxc 0.5446387E+01 Qxc -0.2667252E+01 3,-1 143 3 -1 1.970566 -2.976739 0.844163 Rho 0.1429639E+00 |GRAD(Rho)| 0.2036269E-15 GRAD(Rho)x -0.1501484E-15 GRAD(Rho)y -0.4992751E-16 GRAD(Rho)z -0.1281662E-15 Laplacian 0.5704241E+00 (-1/4)Del**2(Rho)) -0.1426060E+00 Diamond 0.1096096E+01 Metallicity 0.4721998E+01 Ellipticity 0.3061274E-01 Gb(Abramov) 0.2073016E+00 Vb(Abramov) -0.2719971E+00 Hb(Abramov) -0.6469555E-01 Ex_ueg -0.5521030E-01 Ec_ueg -0.7994632E-02 Delta_ex -0.6059384E-01 Delta_ec 0.1473941E-01 Delta_et -0.1950673E+00 Pxc 0.6905921E+01 Qxc -0.4111009E+01 3,-1 144 3 -1 0.845745 -2.966654 1.987327 Rho 0.1434950E+00 |GRAD(Rho)| 0.1450860E-15 GRAD(Rho)x 0.8745446E-16 GRAD(Rho)y 0.6273465E-16 GRAD(Rho)z -0.9729359E-16 Laplacian 0.5721872E+00 (-1/4)Del**2(Rho)) -0.1430468E+00 Diamond 0.1104979E+01 Metallicity 0.4736631E+01 Ellipticity 0.2962375E-01 Gb(Abramov) 0.2082912E+00 Vb(Abramov) -0.2735356E+00 Hb(Abramov) -0.6524438E-01 Ex_ueg -0.5548395E-01 Ec_ueg -0.8028408E-02 Delta_ex -0.6084234E-01 Delta_ec 0.1478263E-01 Delta_et -0.1957707E+00 Pxc 0.6910952E+01 Qxc -0.4115800E+01 3,-1 145 3 -1 1.817587 -0.575783 -2.774520 Rho 0.1430374E+00 |GRAD(Rho)| 0.4622759E-15 GRAD(Rho)x 0.3414695E-15 GRAD(Rho)y 0.3113287E-15 GRAD(Rho)z 0.1311885E-16 Laplacian 0.6038071E+00 (-1/4)Del**2(Rho)) -0.1509518E+00 Diamond 0.1159399E+01 Metallicity 0.4464754E+01 Ellipticity 0.8591843E-02 Gb(Abramov) 0.2129616E+00 Vb(Abramov) -0.2749715E+00 Hb(Abramov) -0.6200984E-01 Ex_ueg -0.5524816E-01 Ec_ueg -0.7999307E-02 Delta_ex -0.6413146E-01 Delta_ec 0.1557046E-01 Delta_et -0.2060182E+00 Pxc 0.6906618E+01 Qxc -0.4118791E+01 3,-1 146 3 -1 1.995047 -0.830969 2.971054 Rho 0.1302609E+00 |GRAD(Rho)| 0.1606954E-13 GRAD(Rho)x -0.1312877E-13 GRAD(Rho)y -0.7334397E-14 GRAD(Rho)z -0.5663215E-14 Laplacian 0.5153997E+00 (-1/4)Del**2(Rho)) -0.1288499E+00 Diamond 0.8752324E+00 Metallicity 0.4475339E+01 Ellipticity 0.3783561E-01 Gb(Abramov) 0.1820078E+00 Vb(Abramov) -0.2351657E+00 Hb(Abramov) -0.5315787E-01 Ex_ueg -0.4876826E-01 Ec_ueg -0.7192174E-02 Delta_ex -0.5340307E-01 Delta_ec 0.1339710E-01 Delta_et -0.1743315E+00 Pxc 0.6780740E+01 Qxc -0.3986167E+01 3,-1 147 3 +1 1.160158 2.107602 -1.198120 Rho 0.2522583E-01 |GRAD(Rho)| 0.6141215E-16 GRAD(Rho)x -0.2229766E-16 GRAD(Rho)y -0.5672209E-16 GRAD(Rho)z 0.7541246E-17 Laplacian 0.1016624E+00 (-1/4)Del**2(Rho)) -0.2541560E-01 Diamond 0.1477459E-01 Metallicity 0.1470715E+01 Ellipticity -0.6734440E+01 Gb(Abramov) 0.2317358E-01 Vb(Abramov) -0.2093157E-01 Hb(Abramov) 0.2242015E-02 Ex_ueg -0.5464021E-02 Ec_ueg -0.1100091E-02 Delta_ex -0.6478921E-02 Delta_ec 0.1976629E-02 Delta_et -0.1742974E-01 Pxc 0.4966880E+01 Qxc -0.3277762E+01 3,+1 148 3 -1 1.706483 -0.497475 1.689628 Rho 0.3544279E-01 |GRAD(Rho)| 0.8339173E-16 GRAD(Rho)x 0.5677619E-16 GRAD(Rho)y 0.3460887E-16 GRAD(Rho)z 0.5032763E-16 Laplacian 0.1470620E+00 (-1/4)Del**2(Rho)) -0.3676550E-01 Diamond 0.4778096E-01 Metallicity 0.1791950E+01 Ellipticity 0.8362579E-02 Gb(Abramov) 0.3549065E-01 Vb(Abramov) -0.3421581E-01 Hb(Abramov) 0.1274846E-02 Ex_ueg -0.8598490E-02 Ec_ueg -0.1627621E-02 Delta_ex -0.1118663E-01 Delta_ec 0.4524316E-02 Delta_et -0.4351580E-01 Pxc 0.5282858E+01 Qxc -0.2472556E+01 3,-1 149 3 -1 1.678062 1.692092 -0.491047 Rho 0.3906422E-01 |GRAD(Rho)| 0.6919687E-16 GRAD(Rho)x -0.5566891E-16 GRAD(Rho)y -0.3288732E-16 GRAD(Rho)z -0.2464961E-16 Laplacian 0.1542833E+00 (-1/4)Del**2(Rho)) -0.3857083E-01 Diamond 0.5497382E-01 Metallicity 0.2008750E+01 Ellipticity 0.1213323E-01 Gb(Abramov) 0.3862709E-01 Vb(Abramov) -0.3868334E-01 Hb(Abramov) -0.5625181E-04 Ex_ueg -0.9789425E-02 Ec_ueg -0.1819961E-02 Delta_ex -0.1188453E-01 Delta_ec 0.4504260E-02 Delta_et -0.4446939E-01 Pxc 0.5378921E+01 Qxc -0.2638509E+01 3,-1 150 3 -1 -1.802070 2.784984 -0.576079 Rho 0.1423694E+00 |GRAD(Rho)| 0.2186186E-15 GRAD(Rho)x 0.1897760E-15 GRAD(Rho)y 0.7318365E-17 GRAD(Rho)z -0.1082847E-15 Laplacian 0.6025635E+00 (-1/4)Del**2(Rho)) -0.1506409E+00 Diamond 0.1150779E+01 Metallicity 0.4439199E+01 Ellipticity 0.1026234E-01 Gb(Abramov) 0.2118814E+00 Vb(Abramov) -0.2731219E+00 Hb(Abramov) -0.6124052E-01 Ex_ueg -0.5490440E-01 Ec_ueg -0.7956848E-02 Delta_ex -0.6392907E-01 Delta_ec 0.1556106E-01 Delta_et -0.2057610E+00 Pxc 0.6900271E+01 Qxc -0.4108273E+01 3,-1 151 3 -1 -1.966122 2.982629 0.849145 Rho 0.1529244E+00 |GRAD(Rho)| 0.4681264E-14 GRAD(Rho)x -0.2597382E-14 GRAD(Rho)y -0.2106862E-14 GRAD(Rho)z -0.3275510E-14 Laplacian 0.6083276E+00 (-1/4)Del**2(Rho)) -0.1520819E+00 Diamond 0.1265778E+01 Metallicity 0.4953782E+01 Ellipticity 0.4038790E-01 Gb(Abramov) 0.2269514E+00 Vb(Abramov) -0.3018209E+00 Hb(Abramov) -0.7486948E-01 Ex_ueg -0.6039775E-01 Ec_ueg -0.8630980E-02 Delta_ex -0.6567946E-01 Delta_ec 0.1543131E-01 Delta_et -0.2061348E+00 Pxc 0.6997786E+01 Qxc -0.4256246E+01 3,-1 152 3 -1 0.489561 -1.685575 1.689936 Rho 0.4100549E-01 |GRAD(Rho)| 0.9934394E-16 GRAD(Rho)x -0.5375695E-17 GRAD(Rho)y -0.6251844E-16 GRAD(Rho)z 0.7701795E-16 Laplacian 0.1628501E+00 (-1/4)Del**2(Rho)) -0.4071253E-01 Diamond 0.6225053E-01 Metallicity 0.2063297E+01 Ellipticity 0.1063087E-01 Gb(Abramov) 0.4114203E-01 Vb(Abramov) -0.4157153E-01 Hb(Abramov) -0.4294995E-03 Ex_ueg -0.1044338E-01 Ec_ueg -0.1924083E-02 Delta_ex -0.1271177E-01 Delta_ec 0.4779647E-02 Delta_et -0.4780946E-01 Pxc 0.5427719E+01 Qxc -0.2659563E+01 3,-1 153 3 -1 0.575701 -1.801658 -2.785620 Rho 0.1433380E+00 |GRAD(Rho)| 0.5852588E-15 GRAD(Rho)x -0.4408773E-15 GRAD(Rho)y -0.3299092E-15 GRAD(Rho)z 0.1982802E-15 Laplacian 0.6061870E+00 (-1/4)Del**2(Rho)) -0.1515467E+00 Diamond 0.1166610E+01 Metallicity 0.4462814E+01 Ellipticity 0.9781658E-02 Gb(Abramov) 0.2137520E+00 Vb(Abramov) -0.2759572E+00 Hb(Abramov) -0.6220523E-01 Ex_ueg -0.5540302E-01 Ec_ueg -0.8018423E-02 Delta_ex -0.6441408E-01 Delta_ec 0.1561818E-01 Delta_et -0.2067017E+00 Pxc 0.6909467E+01 Qxc -0.4124302E+01 3,-1 154 3 -1 -0.055114 -3.181615 3.207882 Rho 0.2535987E+00 |GRAD(Rho)| 0.3933538E-15 GRAD(Rho)x 0.8375462E-17 GRAD(Rho)y -0.2735442E-15 GRAD(Rho)z 0.2825431E-15 Laplacian 0.9145563E+00 (-1/4)Del**2(Rho)) -0.2286391E+00 Diamond 0.3449868E+01 Metallicity 0.7655630E+01 Ellipticity 0.1010808E-02 Gb(Abramov) 0.4441554E+00 Vb(Abramov) -0.6596718E+00 Hb(Abramov) -0.2155164E+00 Ex_ueg -0.1185535E+00 Ec_ueg -0.1538421E-01 Delta_ex -0.1120717E+00 Delta_ec 0.1981351E-01 Delta_et -0.2745779E+00 Pxc 0.7706179E+01 Qxc -0.5656326E+01 3,-1 155 3 -1 0.050526 -3.181017 -3.212057 Rho 0.2534340E+00 |GRAD(Rho)| 0.1657394E-10 GRAD(Rho)x 0.2867277E-11 GRAD(Rho)y -0.1154071E-10 GRAD(Rho)z -0.1154497E-10 Laplacian 0.9152712E+00 (-1/4)Del**2(Rho)) -0.2288178E+00 Diamond 0.3448808E+01 Metallicity 0.7641377E+01 Ellipticity 0.1011339E-02 Gb(Abramov) 0.4439590E+00 Vb(Abramov) -0.6591003E+00 Hb(Abramov) -0.2151412E+00 Ex_ueg -0.1184509E+00 Ec_ueg -0.1537271E-01 Delta_ex -0.1121349E+00 Delta_ec 0.1982358E-01 Delta_et -0.2746698E+00 Pxc 0.7705271E+01 Qxc -0.5656644E+01 3,-1 156 3 -1 0.844282 -1.964837 2.982384 Rho 0.1466059E+00 |GRAD(Rho)| 0.3378616E-13 GRAD(Rho)x 0.3270297E-13 GRAD(Rho)y -0.8423262E-14 GRAD(Rho)z 0.1033963E-14 Laplacian 0.5825347E+00 (-1/4)Del**2(Rho)) -0.1456337E+00 Diamond 0.1153955E+01 Metallicity 0.4821814E+01 Ellipticity 0.3484567E-01 Gb(Abramov) 0.2141255E+00 Vb(Abramov) -0.2826174E+00 Hb(Abramov) -0.6849184E-01 Ex_ueg -0.5709354E-01 Ec_ueg -0.8226597E-02 Delta_ex -0.6226436E-01 Delta_ec 0.1496433E-01 Delta_et -0.1987860E+00 Pxc 0.6940116E+01 Qxc -0.4160851E+01 3,-1 157 3 -1 1.676729 -1.696975 0.482855 Rho 0.4054262E-01 |GRAD(Rho)| 0.2218094E-16 GRAD(Rho)x 0.2126307E-16 GRAD(Rho)y -0.4025948E-17 GRAD(Rho)z 0.4864934E-17 Laplacian 0.1603377E+00 (-1/4)Del**2(Rho)) -0.4008443E-01 Diamond 0.6028761E-01 Metallicity 0.2056351E+01 Ellipticity 0.1129096E-01 Gb(Abramov) 0.4046090E-01 Vb(Abramov) -0.4083736E-01 Hb(Abramov) -0.3764631E-03 Ex_ueg -0.1028650E-01 Ec_ueg -0.1899194E-02 Delta_ex -0.1247672E-01 Delta_ec 0.4699798E-02 Delta_et -0.4686722E-01 Pxc 0.5416243E+01 Qxc -0.2654736E+01 3,-1 158 3 +3 1.844746 -1.824115 1.845839 Rho 0.1217322E-01 |GRAD(Rho)| 0.4735246E-13 GRAD(Rho)x -0.2792784E-13 GRAD(Rho)y 0.2637611E-13 GRAD(Rho)z -0.2768739E-13 Laplacian 0.5579681E-01 (-1/4)Del**2(Rho)) -0.1394920E-01 Diamond 0.1226774E-02 Metallicity 0.7955718E+00 Ellipticity -0.6811800E+00 Gb(Abramov) 0.1114907E-01 Vb(Abramov) -0.8348931E-02 Hb(Abramov) 0.2800135E-02 Ex_ueg -0.2068198E-02 Ec_ueg -0.4675712E-03 Delta_ex -0.2454407E-02 Delta_ec 0.1910372E-03 Delta_et -0.1844086E-02 Pxc 0.4423280E+01 Qxc -0.1284780E+02 3,+3 159 3 -1 -3.180918 3.214067 -0.047379 Rho 0.2534593E+00 |GRAD(Rho)| 0.4918706E-15 GRAD(Rho)x -0.2949030E-15 GRAD(Rho)y -0.3835907E-15 GRAD(Rho)z -0.8847090E-16 Laplacian 0.9130601E+00 (-1/4)Del**2(Rho)) -0.2282650E+00 Diamond 0.3443850E+01 Metallicity 0.7661153E+01 Ellipticity 0.1389103E-02 Gb(Abramov) 0.4436389E+00 Vb(Abramov) -0.6590127E+00 Hb(Abramov) -0.2153739E+00 Ex_ueg -0.1184666E+00 Ec_ueg -0.1537447E-01 Delta_ex -0.1118816E+00 Delta_ec 0.1980126E-01 Delta_et -0.2744853E+00 Pxc 0.7705410E+01 Qxc -0.5650228E+01 3,-1 160 3 +3 -1.821829 1.837760 1.835120 Rho 0.1215397E-01 |GRAD(Rho)| 0.4533006E-14 GRAD(Rho)x 0.2507016E-14 GRAD(Rho)y -0.2664098E-14 GRAD(Rho)z -0.2676864E-14 Laplacian 0.5556024E-01 (-1/4)Del**2(Rho)) -0.1389006E-01 Diamond 0.1211450E-02 Metallicity 0.7968552E+00 Ellipticity -0.6527336E+00 Gb(Abramov) 0.1110477E-01 Vb(Abramov) -0.8319475E-02 Hb(Abramov) 0.2785292E-02 Ex_ueg -0.2063840E-02 Ec_ueg -0.4666815E-03 Delta_ex -0.2440750E-02 Delta_ec 0.1864676E-03 Delta_et -0.1810655E-02 Pxc 0.4422373E+01 Qxc -0.1308940E+02 3,+3 161 3 -1 -0.487472 1.679900 1.705421 Rho 0.3426361E-01 |GRAD(Rho)| 0.1497393E-15 GRAD(Rho)x 0.4997457E-16 GRAD(Rho)y 0.1091438E-15 GRAD(Rho)z 0.8950999E-16 Laplacian 0.1412290E+00 (-1/4)Del**2(Rho)) -0.3530724E-01 Diamond 0.4374603E-01 Metallicity 0.1763646E+01 Ellipticity 0.9167673E-02 Gb(Abramov) 0.3391640E-01 Vb(Abramov) -0.3252557E-01 Hb(Abramov) 0.1390837E-02 Ex_ueg -0.8219195E-02 Ec_ueg -0.1565554E-02 Delta_ex -0.1064928E-01 Delta_ec 0.4335818E-02 Delta_et -0.4131526E-01 Pxc 0.5250023E+01 Qxc -0.2456118E+01 3,-1 162 3 -1 0.565923 -2.775330 -1.816706 Rho 0.1362065E+00 |GRAD(Rho)| 0.2241125E-15 GRAD(Rho)x 0.1827016E-15 GRAD(Rho)y -0.9614163E-16 GRAD(Rho)z -0.8719696E-16 Laplacian 0.5743461E+00 (-1/4)Del**2(Rho)) -0.1435865E+00 Diamond 0.1041052E+01 Metallicity 0.4326158E+01 Ellipticity 0.9661317E-02 Gb(Abramov) 0.1992540E+00 Vb(Abramov) -0.2549215E+00 Hb(Abramov) -0.5566748E-01 Ex_ueg -0.5175854E-01 Ec_ueg -0.7566464E-02 Delta_ex -0.6029403E-01 Delta_ec 0.1501179E-01 Delta_et -0.1972007E+00 Pxc 0.6840518E+01 Qxc -0.4016445E+01 3,-1 163 3 -1 3.183077 3.215331 0.054107 Rho 0.2537387E+00 |GRAD(Rho)| 0.1937542E-13 GRAD(Rho)x -0.1333352E-14 GRAD(Rho)y 0.1911123E-13 GRAD(Rho)z 0.2896500E-14 Laplacian 0.9114982E+00 (-1/4)Del**2(Rho)) -0.2278745E+00 Diamond 0.3444377E+01 Metallicity 0.7688384E+01 Ellipticity 0.1176772E-02 Gb(Abramov) 0.4439142E+00 Vb(Abramov) -0.6599539E+00 Hb(Abramov) -0.2160397E+00 Ex_ueg -0.1186408E+00 Ec_ueg -0.1539399E-01 Delta_ex -0.1117317E+00 Delta_ec 0.1977710E-01 Delta_et -0.2742334E+00 Pxc 0.7706952E+01 Qxc -0.5649552E+01 3,-1 164 3 -1 3.208797 -0.059906 -3.183974 Rho 0.2540236E+00 |GRAD(Rho)| 0.1088057E-14 GRAD(Rho)x -0.9049836E-15 GRAD(Rho)y 0.2108231E-15 GRAD(Rho)z 0.5660620E-15 Laplacian 0.9133620E+00 (-1/4)Del**2(Rho)) -0.2283405E+00 Diamond 0.3453750E+01 Metallicity 0.7687061E+01 Ellipticity 0.8151117E-03 Gb(Abramov) 0.4447716E+00 Vb(Abramov) -0.6612026E+00 Hb(Abramov) -0.2164311E+00 Ex_ueg -0.1188184E+00 Ec_ueg -0.1541391E-01 Delta_ex -0.1119817E+00 Delta_ec 0.1979015E-01 Delta_et -0.2743221E+00 Pxc 0.7708522E+01 Qxc -0.5658456E+01 3,-1 165 3 -1 -2.776973 -1.813968 0.569953 Rho 0.1430203E+00 |GRAD(Rho)| 0.1693489E-15 GRAD(Rho)x 0.1281730E-15 GRAD(Rho)y -0.1100059E-15 GRAD(Rho)z -0.1222438E-16 Laplacian 0.6034450E+00 (-1/4)Del**2(Rho)) -0.1508612E+00 Diamond 0.1158177E+01 Metallicity 0.4466547E+01 Ellipticity 0.9045815E-02 Gb(Abramov) 0.2128790E+00 Vb(Abramov) -0.2748967E+00 Hb(Abramov) -0.6201772E-01 Ex_ueg -0.5523939E-01 Ec_ueg -0.7998224E-02 Delta_ex -0.6408731E-01 Delta_ec 0.1555474E-01 Delta_et -0.2057920E+00 Pxc 0.6906457E+01 Qxc -0.4120114E+01 3,-1 166 3 -1 0.580522 2.778724 1.833302 Rho 0.1308861E+00 |GRAD(Rho)| 0.1204574E-13 GRAD(Rho)x -0.7509943E-14 GRAD(Rho)y -0.1944344E-14 GRAD(Rho)z 0.9215217E-14 Laplacian 0.5512120E+00 (-1/4)Del**2(Rho)) -0.1378030E+00 Diamond 0.9394512E+00 Metallicity 0.4218101E+01 Ellipticity 0.7100059E-02 Gb(Abramov) 0.1887465E+00 Vb(Abramov) -0.2396900E+00 Hb(Abramov) -0.5094350E-01 Ex_ueg -0.4908059E-01 Ec_ueg -0.7231421E-02 Delta_ex -0.5715606E-01 Delta_ec 0.1426893E-01 Delta_et -0.1857371E+00 Pxc 0.6787129E+01 Qxc -0.4005631E+01 3,-1 167 3 -1 -0.065623 3.181805 -3.213754 Rho 0.2538091E+00 |GRAD(Rho)| 0.7302719E-15 GRAD(Rho)x 0.1620340E-15 GRAD(Rho)y -0.5520757E-15 GRAD(Rho)z 0.4497271E-15 Laplacian 0.9121143E+00 (-1/4)Del**2(Rho)) -0.2280286E+00 Diamond 0.3446869E+01 Metallicity 0.7686747E+01 Ellipticity 0.1137910E-02 Gb(Abramov) 0.4441521E+00 Vb(Abramov) -0.6602755E+00 Hb(Abramov) -0.2161235E+00 Ex_ueg -0.1186847E+00 Ec_ueg -0.1539892E-01 Delta_ex -0.1118105E+00 Delta_ec 0.1978007E-01 Delta_et -0.2742346E+00 Pxc 0.7707340E+01 Qxc -0.5652687E+01 3,-1 168 3 -1 0.072495 3.180374 3.219230 Rho 0.2428783E+00 |GRAD(Rho)| 0.5202486E-15 GRAD(Rho)x 0.1107241E-16 GRAD(Rho)y 0.5197665E-15 GRAD(Rho)z 0.1946143E-16 Laplacian 0.8537151E+00 (-1/4)Del**2(Rho)) -0.2134288E+00 Diamond 0.3090145E+01 Metallicity 0.7631583E+01 Ellipticity 0.7742527E-03 Gb(Abramov) 0.4137524E+00 Vb(Abramov) -0.6140760E+00 Hb(Abramov) -0.2003236E+00 Ex_ueg -0.1119189E+00 Ec_ueg -0.1463831E-01 Delta_ex -0.1036103E+00 Delta_ec 0.1904660E-01 Delta_et -0.2650695E+00 Pxc 0.7645615E+01 Qxc -0.5439833E+01 3,-1 169 3 -1 2.967425 1.983321 -0.834540 Rho 0.1427851E+00 |GRAD(Rho)| 0.5252686E-15 GRAD(Rho)x 0.1148712E-15 GRAD(Rho)y -0.2749672E-15 GRAD(Rho)z -0.4325560E-15 Laplacian 0.5701749E+00 (-1/4)Del**2(Rho)) -0.1425437E+00 Diamond 0.1093295E+01 Metallicity 0.4714219E+01 Ellipticity 0.2842705E-01 Gb(Abramov) 0.2070262E+00 Vb(Abramov) -0.2715087E+00 Hb(Abramov) -0.6448248E-01 Ex_ueg -0.5511825E-01 Ec_ueg -0.7983266E-02 Delta_ex -0.6054169E-01 Delta_ec 0.1472463E-01 Delta_et -0.1948079E+00 Pxc 0.6904224E+01 Qxc -0.4111594E+01 3,-1 170 3 -1 3.220904 0.054857 3.183559 Rho 0.2429427E+00 |GRAD(Rho)| 0.3838582E-15 GRAD(Rho)x 0.3779529E-15 GRAD(Rho)y 0.3367803E-16 GRAD(Rho)z -0.5800482E-16 Laplacian 0.8559925E+00 (-1/4)Del**2(Rho)) -0.2139981E+00 Diamond 0.3097087E+01 Metallicity 0.7614647E+01 Ellipticity 0.5576101E-03 Gb(Abramov) 0.4142521E+00 Vb(Abramov) -0.6145061E+00 Hb(Abramov) -0.2002540E+00 Ex_ueg -0.1119585E+00 Ec_ueg -0.1464277E-01 Delta_ex -0.1038819E+00 Delta_ec 0.1907448E-01 Delta_et -0.2653653E+00 Pxc 0.7645988E+01 Qxc -0.5446121E+01 3,-1 171 3 -1 2.977236 0.841183 -1.963481 Rho 0.1438972E+00 |GRAD(Rho)| 0.3286054E-15 GRAD(Rho)x -0.2427529E-15 GRAD(Rho)y -0.1751935E-15 GRAD(Rho)z -0.1354982E-15 Laplacian 0.5738423E+00 (-1/4)Del**2(Rho)) -0.1434606E+00 Diamond 0.1110679E+01 Metallicity 0.4745056E+01 Ellipticity 0.2988208E-01 Gb(Abramov) 0.2090951E+00 Vb(Abramov) -0.2747297E+00 Hb(Abramov) -0.6563455E-01 Ex_ueg -0.5569142E-01 Ec_ueg -0.8054000E-02 Delta_ex -0.6104709E-01 Delta_ec 0.1479215E-01 Delta_et -0.1959283E+00 Pxc 0.6914753E+01 Qxc -0.4126991E+01 3,-1 172 3 -1 -3.183609 -3.206769 0.059285 Rho 0.2535349E+00 |GRAD(Rho)| 0.9592915E-14 GRAD(Rho)x 0.9151751E-15 GRAD(Rho)y -0.6898887E-14 GRAD(Rho)z 0.6602412E-14 Laplacian 0.9142452E+00 (-1/4)Del**2(Rho)) -0.2285613E+00 Diamond 0.3447687E+01 Metallicity 0.7655027E+01 Ellipticity 0.9736305E-03 Gb(Abramov) 0.4439814E+00 Vb(Abramov) -0.6594014E+00 Hb(Abramov) -0.2154201E+00 Ex_ueg -0.1185137E+00 Ec_ueg -0.1537976E-01 Delta_ex -0.1120264E+00 Delta_ec 0.1980862E-01 Delta_et -0.2745104E+00 Pxc 0.7705828E+01 Qxc -0.5655435E+01 3,-1 173 3 -1 -0.373285 0.349475 0.360767 Rho 0.2034727E+00 |GRAD(Rho)| 0.4110716E-11 GRAD(Rho)x 0.2302014E-11 GRAD(Rho)y -0.2451030E-11 GRAD(Rho)z -0.2364564E-11 Laplacian 0.7343697E+00 (-1/4)Del**2(Rho)) -0.1835924E+00 Diamond 0.2385738E+01 Metallicity 0.6605037E+01 Ellipticity 0.3628483E-02 Gb(Abramov) 0.3245007E+00 Vb(Abramov) -0.4654091E+00 Hb(Abramov) -0.1409083E+00 Ex_ueg -0.8838798E-01 Ec_ueg -0.1195074E-01 Delta_ex -0.8671726E-01 Delta_ec 0.2004247E-01 Delta_et -0.2859247E+00 Pxc 0.7396022E+01 Qxc -0.4326676E+01 3,-1 174 3 -1 0.831759 2.963840 -1.986728 Rho 0.1395499E+00 |GRAD(Rho)| 0.3360383E-15 GRAD(Rho)x 0.2006045E-15 GRAD(Rho)y 0.2115549E-16 GRAD(Rho)z 0.2687602E-15 Laplacian 0.5572828E+00 (-1/4)Del**2(Rho)) -0.1393207E+00 Diamond 0.1039948E+01 Metallicity 0.4642519E+01 Ellipticity 0.2509342E-01 Gb(Abramov) 0.2006803E+00 Vb(Abramov) -0.2620399E+00 Hb(Abramov) -0.6135959E-01 Ex_ueg -0.5345946E-01 Ec_ueg -0.7777953E-02 Delta_ex -0.5884773E-01 Delta_ec 0.1447988E-01 Delta_et -0.1909258E+00 Pxc 0.6873205E+01 Qxc -0.4064102E+01 3,-1 175 3 -1 2.791513 0.579138 1.818234 Rho 0.1354758E+00 |GRAD(Rho)| 0.1163382E-14 GRAD(Rho)x 0.4470166E-15 GRAD(Rho)y -0.7696480E-15 GRAD(Rho)z 0.7491837E-15 Laplacian 0.5729003E+00 (-1/4)Del**2(Rho)) -0.1432251E+00 Diamond 0.1015139E+01 Metallicity 0.4298370E+01 Ellipticity 0.1587949E-01 Gb(Abramov) 0.1980891E+00 Vb(Abramov) -0.2529531E+00 Hb(Abramov) -0.5486403E-01 Ex_ueg -0.5138868E-01 Ec_ueg -0.7520344E-02 Delta_ex -0.5987449E-01 Delta_ec 0.1465517E-01 Delta_et -0.1916866E+00 Pxc 0.6833288E+01 Qxc -0.4085555E+01 3,-1 176 3 -1 -1.995173 -0.828946 -2.969857 Rho 0.1258709E+00 |GRAD(Rho)| 0.6806817E-16 GRAD(Rho)x -0.5402037E-16 GRAD(Rho)y 0.3234311E-16 GRAD(Rho)z 0.2586500E-16 Laplacian 0.4973459E+00 (-1/4)Del**2(Rho)) -0.1243365E+00 Diamond 0.8110260E+00 Metallicity 0.4380232E+01 Ellipticity 0.3286289E-01 Gb(Abramov) 0.1736614E+00 Vb(Abramov) -0.2229863E+00 Hb(Abramov) -0.4932493E-01 Ex_ueg -0.4658925E-01 Ec_ueg -0.6917309E-02 Delta_ex -0.5111499E-01 Delta_ec 0.1304627E-01 Delta_et -0.1688449E+00 Pxc 0.6735169E+01 Qxc -0.3917976E+01 3,-1 177 3 -1 -1.813733 -0.573011 2.775222 Rho 0.1438684E+00 |GRAD(Rho)| 0.8359095E-12 GRAD(Rho)x -0.6202316E-12 GRAD(Rho)y 0.5465576E-12 GRAD(Rho)z -0.1238232E-12 Laplacian 0.6076756E+00 (-1/4)Del**2(Rho)) -0.1519189E+00 Diamond 0.1175028E+01 Metallicity 0.4479369E+01 Ellipticity 0.8583682E-02 Gb(Abramov) 0.2146961E+00 Vb(Abramov) -0.2774732E+00 Hb(Abramov) -0.6277718E-01 Ex_ueg -0.5567653E-01 Ec_ueg -0.8052163E-02 Delta_ex -0.6463424E-01 Delta_ec 0.1564903E-01 Delta_et -0.2072372E+00 Pxc 0.6914480E+01 Qxc -0.4130240E+01 3,-1 178 3 -1 2.773131 1.825383 0.577836 Rho 0.1400818E+00 |GRAD(Rho)| 0.3866697E-09 GRAD(Rho)x -0.8966576E-10 GRAD(Rho)y 0.2768621E-09 GRAD(Rho)z -0.2545995E-09 Laplacian 0.5887960E+00 (-1/4)Del**2(Rho)) -0.1471990E+00 Diamond 0.1103769E+01 Metallicity 0.4421992E+01 Ellipticity 0.1101823E-01 Gb(Abramov) 0.2066181E+00 Vb(Abramov) -0.2660373E+00 Hb(Abramov) -0.5941914E-01 Ex_ueg -0.5373131E-01 Ec_ueg -0.7811663E-02 Delta_ex -0.6223280E-01 Delta_ec 0.1528420E-01 Delta_et -0.2016472E+00 Pxc 0.6878345E+01 Qxc -0.4071708E+01 3,-1 179 3 -1 -0.569342 -2.774522 1.814633 Rho 0.1407332E+00 |GRAD(Rho)| 0.6523080E-13 GRAD(Rho)x 0.4319486E-13 GRAD(Rho)y 0.8947311E-14 GRAD(Rho)z 0.4805421E-13 Laplacian 0.5936290E+00 (-1/4)Del**2(Rho)) -0.1484073E+00 Diamond 0.1117542E+01 Metallicity 0.4420035E+01 Ellipticity 0.8858290E-02 Gb(Abramov) 0.2082657E+00 Vb(Abramov) -0.2681242E+00 Hb(Abramov) -0.5985845E-01 Ex_ueg -0.5406471E-01 Ec_ueg -0.7852971E-02 Delta_ex -0.6279816E-01 Delta_ec 0.1536312E-01 Delta_et -0.2027700E+00 Pxc 0.6884618E+01 Qxc -0.4087591E+01 3,-1 180 3 -1 2.787525 -0.576229 -1.798093 Rho 0.1427339E+00 |GRAD(Rho)| 0.1449455E-13 GRAD(Rho)x -0.7361597E-14 GRAD(Rho)y -0.1232738E-14 GRAD(Rho)z 0.1242494E-13 Laplacian 0.6023182E+00 (-1/4)Del**2(Rho)) -0.1505796E+00 Diamond 0.1153140E+01 Metallicity 0.4459974E+01 Ellipticity 0.8819238E-02 Gb(Abramov) 0.2123165E+00 Vb(Abramov) -0.2740535E+00 Hb(Abramov) -0.6173696E-01 Ex_ueg -0.5509191E-01 Ec_ueg -0.7980013E-02 Delta_ex -0.6393537E-01 Delta_ec 0.1553154E-01 Delta_et -0.2054201E+00 Pxc 0.6903737E+01 Qxc -0.4116486E+01 3,-1 181 3 -1 0.357514 0.353419 -0.363760 Rho 0.2015857E+00 |GRAD(Rho)| 0.1702235E-15 GRAD(Rho)x -0.1285765E-15 GRAD(Rho)y -0.4438206E-16 GRAD(Rho)z 0.1023444E-15 Laplacian 0.7158321E+00 (-1/4)Del**2(Rho)) -0.1789580E+00 Diamond 0.2304289E+01 Metallicity 0.6671675E+01 Ellipticity 0.1045881E-03 Gb(Abramov) 0.3182970E+00 Vb(Abramov) -0.4576359E+00 Hb(Abramov) -0.1393389E+00 Ex_ueg -0.8729673E-01 Ec_ueg -0.1182420E-01 Delta_ex -0.8436426E-01 Delta_ec 0.1963886E-01 Delta_et -0.2800006E+00 Pxc 0.7382887E+01 Qxc -0.4295783E+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 76 152 141 179 156 144 154 142 153 162 140 114 155 92 120 122 95 174 167 161 94 166 121 123 168 157 129 134 130 143 105 149 178 128 169 127 163 139 59 150 62 151 159 137 165 138 65 64 172 71 113 111 106 176 109 56 135 177 136 108 110 148 175 101 133 146 170 97 180 145 171 102 164 125 83 181 173 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 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 2.452915 1.930698 1.936858 1.931704 1.939593 1.723137 2.444178 1.929079 1.949747 1.919939 1.941987 1.723350 2.470645 1.915514 1.927898 1.941936 1.950342 1.722883 2.508512 1.908149 1.941663 1.947089 1.974656 1.712598 2.458452 1.927914 1.913580 1.956524 1.940981 1.723158 2.474328 1.939045 1.923075 1.941210 1.929951 1.722983 2.461275 1.952022 1.931543 1.937484 1.914807 1.723341 2.454044 1.930426 1.926005 1.944627 1.938644 1.723239 2.491945 1.915714 1.949695 1.941338 1.968964 1.712555 2.450306 1.930197 1.927920 1.941657 1.938138 1.723209 2.492769 1.927274 1.960784 1.928852 1.954820 1.712429 2.466128 1.931048 1.930281 1.938235 1.936813 1.722562 1.555635 1.556333 1.558820 1.554600 2.453984 1.931123 1.937237 1.932326 1.940211 1.723139 2.445266 1.929511 1.950159 1.920585 1.942610 1.723351 2.471657 1.915940 1.928249 1.942612 1.950981 1.722885 2.509448 1.908727 1.942170 1.947916 1.975516 1.712606 2.459501 1.928278 1.913961 1.957162 1.941655 1.723160 2.475340 1.939437 1.923492 1.941835 1.930568 1.722986 2.462339 1.952468 1.931970 1.938143 1.915440 1.723345 2.455102 1.930801 1.926430 1.945288 1.939320 1.723240 2.492905 1.916256 1.950227 1.942157 1.969819 1.712562 2.451053 1.930577 1.928293 1.942294 1.938752 1.723211 2.493732 1.927817 1.961371 1.929643 1.955650 1.712437 2.467156 1.931431 1.930653 1.938870 1.937437 1.722564 1.555645 1.556346 1.558822 1.554610 29 25 23 23 23 20 27 25 25 27 23 21 29 23 23 26 23 20 29 26 23 23 23 21 29 23 23 23 24 20 29 23 23 23 23 22 29 25 25 25 26 22 29 23 25 26 26 21 29 23 23 23 23 20 27 23 23 23 23 20 29 23 26 23 23 20 29 23 23 23 23 20 21 22 20 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 W W W Mo W W W W Mo W Mo 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 2.5088 2.5100 2.5184 2.3904 2.5101 2.5132 2.5039 2.5096 2.3926 2.5092 2.3936 2.5212 -1.0504 -1.0513 -1.0529 -1.0484 -0.9494 -0.9491 -0.9154 -0.9143 -0.9499 -0.8925 -0.9183 -0.9488 -0.9476 -0.9507 -0.9159 -0.9501 -0.9079 -0.9101 -0.9477 -0.9443 -0.9107 -0.9482 -0.9113 -0.9120 -0.9444 -0.9133 -0.9453 -0.9486 -0.7342 -0.7349 -0.7345 -0.6564 -0.7347 -0.7344 -0.7346 -0.7349 -0.6554 -0.7341 -0.6550 -0.7338 2.3448 2.0845 2.0840 2.0807 1.9389 2.0848 2.0802 2.0835 2.0843 1.9416 2.0847 1.9366 2.0828 1.8930 1.8926 1.8921 1.8930 1.9351 1.9350 1.9399 1.9402 1.9348 1.9437 1.9389 1.9351 1.9355 1.9349 1.9397 1.9352 1.9502 1.9497 1.9469 1.9481 1.9493 1.9468 1.9494 1.9492 1.9482 1.9491 1.9483 1.9469 1.9757 1.9756 1.9756 1.9873 1.9758 1.9755 1.9755 1.9757 1.9873 1.9756 1.9872 1.9758 2.4896 6.0887 6.0880 6.0828 6.0549 6.0887 6.0823 6.0877 6.0888 6.0562 6.0884 6.0529 6.0838 5.1166 5.1177 5.1203 5.1146 4.9838 4.9834 4.9472 4.9458 4.9845 4.9222 4.9508 4.9831 4.9815 4.9855 4.9476 4.9844 4.9268 4.9295 4.9676 4.9629 4.9306 4.9682 4.9309 4.9320 4.9629 4.9334 4.9637 4.9686 4.7199 4.7207 4.7203 4.6326 4.7203 4.7203 4.7206 4.7206 4.6315 4.7200 4.6311 4.7194 7.3297 3.2889 3.2890 3.2891 3.6158 3.2874 3.2954 3.2959 3.2882 3.6097 3.2886 3.6169 3.2832 0.0408 0.0410 0.0406 0.0407 0.0305 0.0306 0.0282 0.0283 0.0305 0.0266 0.0286 0.0306 0.0306 0.0304 0.0285 0.0305 0.0308 0.0308 0.0332 0.0333 0.0309 0.0332 0.0309 0.0309 0.0333 0.0309 0.0333 0.0331 0.0386 0.0386 0.0386 0.0366 0.0386 0.0386 0.0386 0.0386 0.0366 0.0386 0.0366 0.0386 0.8359 14.0290 14.0291 14.0290 0.0000 14.0291 14.0290 14.0290 14.0290 0.0000 14.0291 0.0000 14.0291 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W W W Mo W W W W Mo W Mo 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 2.527153 2.527324 2.525971 3.186300 2.526376 2.524625 2.525459 2.526481 3.187363 2.527678 3.187477 2.528004 -1.067307 -1.068000 -1.036351 -1.065313 -0.936672 -0.936432 -1.054702 -1.049056 -0.936321 -1.162633 -1.046786 -0.935814 -0.933740 -0.937362 -1.046486 -0.936772 -1.025140 -1.023088 -0.912767 -0.909575 -1.019124 -0.912871 -1.022333 -1.016173 -0.909653 -1.015654 -0.909762 -0.913161 -0.755880 -0.756531 -0.756553 -0.920518 -0.756183 -0.756265 -0.756272 -0.756338 -0.920400 -0.756095 -0.919068 -0.755937 2.004881 1.955444 1.955941 1.956921 2.382662 1.955320 1.961838 1.961502 1.954427 2.377242 1.955520 2.383613 1.951839 -0.816576 -0.813149 -0.772770 -0.818286 -0.698176 -0.699398 -0.804117 -0.799766 -0.698365 -0.903280 -0.801990 -0.697795 -0.696954 -0.699261 -0.799205 -0.701885 -0.823300 -0.821899 -0.732796 -0.730046 -0.818561 -0.733436 -0.818683 -0.823759 -0.733849 -0.822587 -0.733339 -0.733347 -0.636299 -0.636872 -0.638286 -0.674601 -0.636100 -0.635547 -0.633527 -0.637065 -0.677609 -0.636623 -0.673230 -0.640652 1.550716 2.052427 2.053336 2.054878 2.465326 2.052740 2.060947 2.058957 2.052384 2.459981 2.052348 2.466776 2.049231 -0.855926 -0.852950 -0.825688 -0.857002 -0.774584 -0.774322 -0.878393 -0.878192 -0.775208 -0.972648 -0.873989 -0.773487 -0.775644 -0.776637 -0.874612 -0.777568 -0.861281 -0.861545 -0.767917 -0.768775 -0.853963 -0.768433 -0.857197 -0.860195 -0.774388 -0.860435 -0.775737 -0.767939 -0.600470 -0.601334 -0.605636 -0.635282 -0.599876 -0.602729 -0.597973 -0.600831 -0.638350 -0.600529 -0.634025 -0.608023 1.520384 0.23199316 0.97619553 0.91604752 1.35864697 0.35511061 0.25681668 7.65409252 -4.06399268 3.46433023 3.70888207 -405.2220 407.8464 -72.1676 -380.1971 -10.3074 -460.0478 Apr13-2024 12:51:27 Nodes: 1 Procs: 1 Apr13-2024 12:51:27 Nodes: 1 Procs: 1 0 Apr13-2024 12:51:28 Nodes: 1 Procs: 1 Apr13-2024 12:51:28 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr13-2024 12:51:29 Nodes: 1 Procs: 1 Apr13-2024 12:51:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr13-2024 12:51:30 Nodes: 1 Procs: 1 Apr13-2024 12:51:31 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr13-2024 12:51:34 Nodes: 1 Procs: 24 *** (NO TITLE) *** -3 -16.90197808 -16.90326214 -16.90405669 -16.90428166 -16.90481141 -16.90549679 -16.90581284 -16.90613278 -16.90623047 -16.90631388 -16.90635489 -16.90638293 -16.90639757 -16.90641624 -16.90644518 GEOMETRY CONVERGED