ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 16:00:47 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.02 0.82 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 Apr28-2024 16:00:47 Nodes: 1 Procs: 1 Apr28-2024 16:00:47 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 16:00:48 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.65 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 Apr28-2024 16:00:47 Nodes: 1 Procs: 1 Apr28-2024 16:00:47 Nodes: 1 Procs: 1 0 Apr28-2024 16:00:48 Nodes: 1 Procs: 1 Apr28-2024 16:00:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 16:00:49 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 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 Apr28-2024 16:00:47 Nodes: 1 Procs: 1 Apr28-2024 16:00:47 Nodes: 1 Procs: 1 0 Apr28-2024 16:00:48 Nodes: 1 Procs: 1 Apr28-2024 16:00:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr28-2024 16:00:49 Nodes: 1 Procs: 1 Apr28-2024 16:00:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 16:00:50 Molybdenum (TZP, 3d 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 0.02 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 Apr28-2024 16:00:47 Nodes: 1 Procs: 1 Apr28-2024 16:00:47 Nodes: 1 Procs: 1 0 Apr28-2024 16:00:48 Nodes: 1 Procs: 1 Apr28-2024 16:00:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr28-2024 16:00:49 Nodes: 1 Procs: 1 Apr28-2024 16:00:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr28-2024 16:00:50 Nodes: 1 Procs: 1 Apr28-2024 16:00:51 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 16:00:53 Molybdenum (TZP, 3d frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2325.590361000001 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2.251300 0.000711 Rho 0.3189851E+03 3,-3 33 3 -3 1.479525 1.384666 3.435743 Rho 0.3189192E+03 3,-3 34 3 -3 1.540335 -1.280281 -3.460075 Rho 0.3189188E+03 3,-3 35 3 -3 -1.471600 3.478799 1.344768 Rho 0.3190134E+03 3,-3 36 3 -3 -1.789205 -3.668198 -1.666052 Rho 0.3192687E+03 3,-3 37 3 -3 -1.794416 -3.652135 1.673066 Rho 0.3192616E+03 3,-3 38 3 -3 -1.465040 3.489760 -1.337814 Rho 0.3190696E+03 3,-3 39 3 -3 1.531446 -1.288902 3.483306 Rho 0.3189691E+03 3,-3 40 3 -3 1.470744 1.390127 -3.452466 Rho 0.3189797E+03 3,-3 41 3 -3 -0.191732 0.015039 5.264150 Rho 0.3192805E+03 3,-3 42 3 -3 3.915905 -2.653825 -2.531286 Rho 0.3192241E+03 3,-3 43 3 -3 -0.196383 -0.008015 -5.257841 Rho 0.3192825E+03 3,-3 44 3 -3 0.225506 5.331078 0.011489 Rho 0.3193841E+03 3,-3 45 3 -3 3.882104 -2.717583 2.536053 Rho 0.3193525E+03 3,-3 46 3 -3 3.758673 2.879747 -2.562257 Rho 0.3193949E+03 3,-3 47 3 -3 -3.758431 2.537796 -2.815884 Rho 0.3193800E+03 3,-3 48 3 -3 -3.864165 -2.290198 2.803841 Rho 0.3192224E+03 3,-3 49 3 -3 -3.854985 -2.289493 -2.783240 Rho 0.3192257E+03 3,-3 50 3 -3 -3.751366 2.519783 2.797928 Rho 0.3192516E+03 3,-3 51 3 -3 3.759423 2.854500 2.545782 Rho 0.3192642E+03 3,-3 52 3 +1 -1.740750 -0.017752 -0.749452 Rho 0.9150087E-02 |GRAD(Rho)| 0.3778523E-13 GRAD(Rho)x -0.1016143E-13 GRAD(Rho)y -0.3584944E-13 GRAD(Rho)z 0.6267952E-14 Laplacian 0.3861315E-01 (-1/4)Del**2(Rho)) -0.9653288E-02 Diamond 0.1236606E-02 Metallicity 0.7143647E+00 Ellipticity -0.1491207E+01 Gb(Abramov) 0.7584854E-02 Vb(Abramov) -0.5516419E-02 Hb(Abramov) 0.2068435E-02 Ex_ueg -0.1413466E-02 Ec_ueg -0.3296592E-03 Delta_ex -0.1838492E-02 Delta_ec 0.6263863E-03 Delta_et -0.4283859E-02 Pxc 0.4287658E+01 Qxc -0.2935077E+01 3,+1 53 3 +3 -1.164835 0.020017 -1.569298 Rho 0.5067137E-02 |GRAD(Rho)| 0.6119156E-17 GRAD(Rho)x -0.6025053E-17 GRAD(Rho)y -0.8502586E-18 GRAD(Rho)z 0.6479713E-18 Laplacian 0.2101308E-01 (-1/4)Del**2(Rho)) -0.5253270E-02 Diamond 0.1600059E-03 Metallicity 0.4902240E+00 Ellipticity -0.3250503E+00 Gb(Abramov) 0.3931393E-02 Vb(Abramov) -0.2609516E-02 Hb(Abramov) 0.1321877E-02 Ex_ueg -0.6427892E-03 Ec_ueg -0.1498031E-03 Delta_ex -0.7383132E-03 Delta_ec 0.1097604E-03 Delta_et -0.8212943E-03 Pxc 0.4290893E+01 Qxc -0.6726590E+01 3,+3 54 3 -1 -2.110495 -2.928569 -1.679657 Rho 0.2333556E+00 |GRAD(Rho)| 0.2000790E-10 GRAD(Rho)x -0.8050361E-11 GRAD(Rho)y 0.1831280E-10 GRAD(Rho)z -0.3859139E-12 Laplacian 0.8913784E+00 (-1/4)Del**2(Rho)) -0.2228446E+00 Diamond 0.3014660E+01 Metallicity 0.6837775E+01 Ellipticity 0.1035706E-01 Gb(Abramov) 0.4025233E+00 Vb(Abramov) -0.5822019E+00 Hb(Abramov) -0.1796787E+00 Ex_ueg -0.1061067E+00 Ec_ueg -0.1398101E-01 Delta_ex -0.1067279E+00 Delta_ec 0.1952773E-01 Delta_et -0.2688128E+00 Pxc 0.7589340E+01 Qxc -0.5465452E+01 3,-1 55 3 -1 -2.971090 -2.101788 -0.784586 Rho 0.1426883E+00 |GRAD(Rho)| 0.2456721E-15 GRAD(Rho)x -0.1065635E-15 GRAD(Rho)y -0.1494674E-16 GRAD(Rho)z 0.2208520E-15 Laplacian 0.5510548E+00 (-1/4)Del**2(Rho)) -0.1377637E+00 Diamond 0.1065731E+01 Metallicity 0.4872280E+01 Ellipticity 0.4245156E-01 Gb(Abramov) 0.2037130E+00 Vb(Abramov) -0.2696624E+00 Hb(Abramov) -0.6594933E-01 Ex_ueg -0.5506845E-01 Ec_ueg -0.7977115E-02 Delta_ex -0.5860786E-01 Delta_ec 0.1442252E-01 Delta_et -0.1911953E+00 Pxc 0.6903304E+01 Qxc -0.4063636E+01 3,-1 56 3 -1 -3.227601 -2.183623 -2.282425 Rho 0.2300849E+00 |GRAD(Rho)| 0.6315341E-14 GRAD(Rho)x 0.5049021E-14 GRAD(Rho)y 0.7102337E-15 GRAD(Rho)z 0.3726457E-14 Laplacian 0.8499220E+00 (-1/4)Del**2(Rho)) -0.2124805E+00 Diamond 0.2857866E+01 Metallicity 0.7004562E+01 Ellipticity 0.2126745E-01 Gb(Abramov) 0.3897091E+00 Vb(Abramov) -0.5669378E+00 Hb(Abramov) -0.1772286E+00 Ex_ueg -0.1041284E+00 Ec_ueg -0.1375640E-01 Delta_ex -0.1015694E+00 Delta_ec 0.1901697E-01 Delta_et -0.2630093E+00 Pxc 0.7569449E+01 Qxc -0.5340987E+01 3,-1 57 3 -1 -2.975723 -2.094035 0.799298 Rho 0.1393085E+00 |GRAD(Rho)| 0.1661201E-15 GRAD(Rho)x -0.3958693E-16 GRAD(Rho)y -0.1540160E-16 GRAD(Rho)z 0.1605974E-15 Laplacian 0.5370672E+00 (-1/4)Del**2(Rho)) -0.1342668E+00 Diamond 0.1011006E+01 Metallicity 0.4803380E+01 Ellipticity 0.3720201E-01 Gb(Abramov) 0.1970003E+00 Vb(Abramov) -0.2597338E+00 Hb(Abramov) -0.6273348E-01 Ex_ueg -0.5333615E-01 Ec_ueg -0.7762654E-02 Delta_ex -0.5680859E-01 Delta_ec 0.1417375E-01 Delta_et -0.1872784E+00 Pxc 0.6870866E+01 Qxc -0.4008013E+01 3,-1 58 3 +1 -0.209251 -2.526242 1.917678 Rho 0.3077781E-02 |GRAD(Rho)| 0.5572445E-17 GRAD(Rho)x 0.1527339E-17 GRAD(Rho)y -0.5243453E-17 GRAD(Rho)z -0.1107058E-17 Laplacian 0.1225877E-01 (-1/4)Del**2(Rho)) -0.3064691E-02 Diamond 0.1321079E-03 Metallicity 0.3660687E+00 Ellipticity -0.1546233E+01 Gb(Abramov) 0.2230109E-02 Vb(Abramov) -0.1395526E-02 Hb(Abramov) 0.8345825E-03 Ex_ueg -0.3306501E-03 Ec_ueg -0.6515358E-04 Delta_ex -0.5269311E-03 Delta_ec 0.3324144E-03 Delta_et -0.1581588E-02 Pxc 0.5074935E+01 Qxc -0.1585163E+01 3,+1 59 3 -1 -2.760010 -0.928635 -1.651470 Rho 0.7000424E-01 |GRAD(Rho)| 0.2241445E-13 GRAD(Rho)x 0.3809622E-14 GRAD(Rho)y -0.2206507E-13 GRAD(Rho)z -0.1013421E-14 Laplacian 0.2901951E+00 (-1/4)Del**2(Rho)) -0.7254877E-01 Diamond 0.2337209E+00 Metallicity 0.2823560E+01 Ellipticity 0.5075238E-02 Gb(Abramov) 0.8250681E-01 Vb(Abramov) -0.9246485E-01 Hb(Abramov) -0.9958040E-02 Ex_ueg -0.2130840E-01 Ec_ueg -0.3547327E-02 Delta_ex -0.2606063E-01 Delta_ec 0.8686526E-02 Delta_et -0.9979790E-01 Pxc 0.6006889E+01 Qxc -0.3000121E+01 3,-1 60 3 +1 -2.191436 -1.740511 0.037359 Rho 0.2915403E-01 |GRAD(Rho)| 0.4271066E-11 GRAD(Rho)x -0.3607180E-11 GRAD(Rho)y -0.2286201E-11 GRAD(Rho)z 0.5950681E-13 Laplacian 0.1225402E+00 (-1/4)Del**2(Rho)) -0.3063506E-01 Diamond 0.2158082E-01 Metallicity 0.1552979E+01 Ellipticity -0.7423808E+01 Gb(Abramov) 0.2835264E-01 Vb(Abramov) -0.2607022E-01 Hb(Abramov) 0.2282420E-02 Ex_ueg -0.6626994E-02 Ec_ueg -0.1300054E-02 Delta_ex -0.8099355E-02 Delta_ec 0.2359716E-02 Delta_et -0.2158524E-01 Pxc 0.5097475E+01 Qxc -0.3432344E+01 3,+1 61 3 +1 -2.980690 -0.341821 -0.014055 Rho 0.5264008E-02 |GRAD(Rho)| 0.4279653E-17 GRAD(Rho)x 0.3213376E-18 GRAD(Rho)y 0.3801058E-17 GRAD(Rho)z -0.1940137E-17 Laplacian 0.2138768E-01 (-1/4)Del**2(Rho)) -0.5346921E-02 Diamond 0.3858074E-03 Metallicity 0.5132280E+00 Ellipticity -0.1464348E+01 Gb(Abramov) 0.4021979E-02 Vb(Abramov) -0.2697037E-02 Hb(Abramov) 0.1324942E-02 Ex_ueg -0.6763017E-03 Ec_ueg -0.1582918E-03 Delta_ex -0.9451185E-03 Delta_ec 0.4433318E-03 Delta_et -0.2537628E-02 Pxc 0.4272500E+01 Qxc -0.2131854E+01 3,+1 62 3 -1 -2.763490 -0.928687 1.652923 Rho 0.7624289E-01 |GRAD(Rho)| 0.1694010E-12 GRAD(Rho)x -0.1271908E-12 GRAD(Rho)y 0.5644008E-13 GRAD(Rho)z -0.9661119E-13 Laplacian 0.3193659E+00 (-1/4)Del**2(Rho)) -0.7984148E-01 Diamond 0.2862331E+00 Metallicity 0.2957946E+01 Ellipticity 0.5713588E-02 Gb(Abramov) 0.9258878E-01 Vb(Abramov) -0.1053361E+00 Hb(Abramov) -0.1274730E-01 Ex_ueg -0.2387725E-01 Ec_ueg -0.3910054E-02 Delta_ex -0.2925495E-01 Delta_ec 0.9437738E-02 Delta_et -0.1106273E+00 Pxc 0.6106628E+01 Qxc -0.3099785E+01 3,-1 63 3 -1 -1.782403 -1.637936 -2.330212 Rho 0.1319396E+00 |GRAD(Rho)| 0.6726732E-16 GRAD(Rho)x 0.3167226E-16 GRAD(Rho)y 0.2606151E-16 GRAD(Rho)z -0.5331564E-16 Laplacian 0.5518427E+00 (-1/4)Del**2(Rho)) -0.1379607E+00 Diamond 0.9696761E+00 Metallicity 0.4269952E+01 Ellipticity 0.1414510E-01 Gb(Abramov) 0.1901547E+00 Vb(Abramov) -0.2423487E+00 Hb(Abramov) -0.5219401E-01 Ex_ueg -0.4960801E-01 Ec_ueg -0.7297615E-02 Delta_ex -0.5756958E-01 Delta_ec 0.1468074E-01 Delta_et -0.1921566E+00 Pxc 0.6797838E+01 Qxc -0.3921436E+01 3,-1 64 3 -1 -1.723205 -1.647129 -0.829012 Rho 0.4936271E-01 |GRAD(Rho)| 0.7297537E-16 GRAD(Rho)x 0.2312231E-16 GRAD(Rho)y -0.3519422E-18 GRAD(Rho)z 0.6921445E-16 Laplacian 0.1956646E+00 (-1/4)Del**2(Rho)) -0.4891615E-01 Diamond 0.9883771E-01 Metallicity 0.2339372E+01 Ellipticity 0.1805752E-01 Gb(Abramov) 0.5168294E-01 Vb(Abramov) -0.5444973E-01 Hb(Abramov) -0.2766791E-02 Ex_ueg -0.1337366E-01 Ec_ueg -0.2379677E-02 Delta_ex -0.1611356E-01 Delta_ec 0.5937415E-02 Delta_et -0.6242853E-01 Pxc 0.5619948E+01 Qxc -0.2713901E+01 3,-1 65 3 -1 -1.728652 -1.639653 0.848892 Rho 0.4884062E-01 |GRAD(Rho)| 0.9162769E-16 GRAD(Rho)x -0.4053053E-16 GRAD(Rho)y -0.1664250E-16 GRAD(Rho)z 0.8047321E-16 Laplacian 0.1939042E+00 (-1/4)Del**2(Rho)) -0.4847606E-01 Diamond 0.9669978E-01 Metallicity 0.2319144E+01 Ellipticity 0.1577667E-01 Gb(Abramov) 0.5105454E-01 Vb(Abramov) -0.5363301E-01 Hb(Abramov) -0.2578475E-02 Ex_ueg -0.1318540E-01 Ec_ueg -0.2350888E-02 Delta_ex -0.1593307E-01 Delta_ec 0.5896887E-02 Delta_et -0.6183237E-01 Pxc 0.5608687E+01 Qxc -0.2701946E+01 3,-1 66 3 +1 -1.730777 -0.021054 0.745700 Rho 0.9646284E-02 |GRAD(Rho)| 0.3521291E-15 GRAD(Rho)x 0.2601558E-15 GRAD(Rho)y -0.6116246E-16 GRAD(Rho)z -0.2292880E-15 Laplacian 0.4088008E-01 (-1/4)Del**2(Rho)) -0.1022002E-01 Diamond 0.1376618E-02 Metallicity 0.7368315E+00 Ellipticity -0.1483020E+01 Gb(Abramov) 0.8068419E-02 Vb(Abramov) -0.5916818E-02 Hb(Abramov) 0.2151601E-02 Ex_ueg -0.1516579E-02 Ec_ueg -0.3520336E-03 Delta_ex -0.1960487E-02 Delta_ec 0.6423097E-03 Delta_et -0.4468768E-02 Pxc 0.4308053E+01 Qxc -0.3052245E+01 3,+1 67 3 +3 -1.153532 -0.008012 1.581034 Rho 0.5204108E-02 |GRAD(Rho)| 0.5909037E-17 GRAD(Rho)x -0.2830918E-17 GRAD(Rho)y -0.3309912E-17 GRAD(Rho)z -0.3993383E-17 Laplacian 0.2163175E-01 (-1/4)Del**2(Rho)) -0.5407939E-02 Diamond 0.1679354E-03 Metallicity 0.4978501E+00 Ellipticity -0.2901899E+00 Gb(Abramov) 0.4054016E-02 Vb(Abramov) -0.2700094E-02 Hb(Abramov) 0.1353922E-02 Ex_ueg -0.6660602E-03 Ec_ueg -0.1557070E-03 Delta_ex -0.7630804E-03 Delta_ec 0.1084286E-03 Delta_et -0.8264640E-03 Pxc 0.4277652E+01 Qxc -0.7037629E+01 3,+3 68 3 -1 -1.787448 -1.632687 2.353089 Rho 0.1320576E+00 |GRAD(Rho)| 0.1558532E-15 GRAD(Rho)x -0.7352246E-16 GRAD(Rho)y -0.1317780E-15 GRAD(Rho)z -0.3897707E-16 Laplacian 0.5506469E+00 (-1/4)Del**2(Rho)) -0.1376617E+00 Diamond 0.9688205E+00 Metallicity 0.4285604E+01 Ellipticity 0.1436921E-01 Gb(Abramov) 0.1901017E+00 Vb(Abramov) -0.2425418E+00 Hb(Abramov) -0.5244003E-01 Ex_ueg -0.4966717E-01 Ec_ueg -0.7305033E-02 Delta_ex -0.5745962E-01 Delta_ec 0.1465015E-01 Delta_et -0.1917924E+00 Pxc 0.6799034E+01 Qxc -0.3922119E+01 3,-1 69 3 +1 -1.243489 2.299534 -0.700764 Rho 0.2260494E-01 |GRAD(Rho)| 0.2623607E-16 GRAD(Rho)x 0.1104406E-16 GRAD(Rho)y -0.1021199E-16 GRAD(Rho)z 0.2149594E-16 Laplacian 0.8982015E-01 (-1/4)Del**2(Rho)) -0.2245504E-01 Diamond 0.1154147E-01 Metallicity 0.1386473E+01 Ellipticity -0.7225435E+01 Gb(Abramov) 0.2015891E-01 Vb(Abramov) -0.1786278E-01 Hb(Abramov) 0.2296127E-02 Ex_ueg -0.4720516E-02 Ec_ueg -0.9688992E-03 Delta_ex -0.5601789E-02 Delta_ec 0.1815621E-02 Delta_et -0.1554667E-01 Pxc 0.4872040E+01 Qxc -0.3085330E+01 3,+1 70 3 -1 -1.973250 2.693387 1.504270 Rho 0.1221566E+00 |GRAD(Rho)| 0.1001927E-12 GRAD(Rho)x -0.5544803E-13 GRAD(Rho)y -0.8123149E-13 GRAD(Rho)z 0.1911917E-13 Laplacian 0.4887095E+00 (-1/4)Del**2(Rho)) -0.1221774E+00 Diamond 0.7735683E+00 Metallicity 0.4240566E+01 Ellipticity 0.1887427E-01 Gb(Abramov) 0.1678018E+00 Vb(Abramov) -0.2134262E+00 Hb(Abramov) -0.4562440E-01 Ex_ueg -0.4476523E-01 Ec_ueg -0.6685762E-02 Delta_ex -0.4993054E-01 Delta_ec 0.1302341E-01 Delta_et -0.1678972E+00 Pxc 0.6695606E+01 Qxc -0.3833907E+01 3,-1 71 3 +1 -1.764607 0.015421 2.458350 Rho 0.1169334E-01 |GRAD(Rho)| 0.1923465E-16 GRAD(Rho)x -0.4829202E-17 GRAD(Rho)y -0.1629012E-16 GRAD(Rho)z -0.9015688E-17 Laplacian 0.5705106E-01 (-1/4)Del**2(Rho)) -0.1426277E-01 Diamond 0.2216050E-02 Metallicity 0.7276357E+00 Ellipticity -0.1284217E+01 Gb(Abramov) 0.1123819E-01 Vb(Abramov) -0.8213621E-02 Hb(Abramov) 0.3024572E-02 Ex_ueg -0.1960214E-02 Ec_ueg -0.4454313E-03 Delta_ex -0.2788155E-02 Delta_ec 0.7457146E-03 Delta_et -0.5552237E-02 Pxc 0.4400709E+01 Qxc -0.3738904E+01 3,+1 72 3 -1 -0.182425 -3.384184 -1.583611 Rho 0.4553097E-02 |GRAD(Rho)| 0.1142700E-17 GRAD(Rho)x -0.1078786E-17 GRAD(Rho)y 0.3724606E-18 GRAD(Rho)z -0.5707059E-19 Laplacian 0.1747959E-01 (-1/4)Del**2(Rho)) -0.4369899E-02 Diamond 0.5659935E-03 Metallicity 0.4930905E+00 Ellipticity 0.1374604E+00 Gb(Abramov) 0.3272392E-02 Vb(Abramov) -0.2174885E-02 Hb(Abramov) 0.1097507E-02 Ex_ueg -0.5573495E-03 Ec_ueg -0.1277317E-03 Delta_ex -0.1070931E-02 Delta_ec 0.9384080E-03 Delta_et -0.4796591E-02 Pxc 0.4363438E+01 Qxc -0.1141221E+01 3,-1 73 3 -1 -0.201378 -3.353159 1.570602 Rho 0.4760993E-02 |GRAD(Rho)| 0.7295662E-17 GRAD(Rho)x -0.3290523E-17 GRAD(Rho)y 0.6441550E-17 GRAD(Rho)z 0.9516195E-18 Laplacian 0.1850386E-01 (-1/4)Del**2(Rho)) -0.4625966E-02 Diamond 0.6352916E-03 Metallicity 0.5017800E+00 Ellipticity 0.1423509E+00 Gb(Abramov) 0.3470847E-02 Vb(Abramov) -0.2315728E-02 Hb(Abramov) 0.1155119E-02 Ex_ueg -0.5915369E-03 Ec_ueg -0.1366419E-03 Delta_ex -0.1140618E-02 Delta_ec 0.9919699E-03 Delta_et -0.5142202E-02 Pxc 0.4329103E+01 Qxc -0.1149852E+01 3,-1 74 3 +1 -0.191658 -2.550754 -1.924129 Rho 0.2945483E-02 |GRAD(Rho)| 0.1905968E-14 GRAD(Rho)x -0.1796503E-14 GRAD(Rho)y -0.6286837E-15 GRAD(Rho)z 0.1002414E-15 Laplacian 0.1161965E-01 (-1/4)Del**2(Rho)) -0.2904911E-02 Diamond 0.1183405E-03 Metallicity 0.3589338E+00 Ellipticity -0.1543991E+01 Gb(Abramov) 0.2110386E-02 Vb(Abramov) -0.1315861E-02 Hb(Abramov) 0.7945253E-03 Ex_ueg -0.3118365E-03 Ec_ueg -0.5959909E-04 Delta_ex -0.4958870E-03 Delta_ec 0.3160473E-03 Delta_et -0.1483613E-02 Pxc 0.5232236E+01 Qxc -0.1569028E+01 3,+1 75 3 +1 -0.235779 -2.558616 -1.169935 Rho 0.2780242E-02 |GRAD(Rho)| 0.9466633E-16 GRAD(Rho)x -0.8703139E-16 GRAD(Rho)y -0.3423548E-16 GRAD(Rho)z -0.1466911E-16 Laplacian 0.1099135E-01 (-1/4)Del**2(Rho)) -0.2747838E-02 Diamond 0.8889975E-04 Metallicity 0.3446404E+00 Ellipticity -0.1300730E+01 Gb(Abramov) 0.1989728E-02 Vb(Abramov) -0.1231618E-02 Hb(Abramov) 0.7581101E-03 Ex_ueg -0.2887321E-03 Ec_ueg -0.5267508E-04 Delta_ex -0.4341948E-03 Delta_ec 0.2456523E-03 Delta_et -0.1158985E-02 Pxc 0.5481380E+01 Qxc -0.1767517E+01 3,+1 76 3 -1 -0.822447 3.529968 -0.703534 Rho 0.1453011E+00 |GRAD(Rho)| 0.4601482E-15 GRAD(Rho)x -0.3462671E-16 GRAD(Rho)y 0.3928607E-15 GRAD(Rho)z 0.2370608E-15 Laplacian 0.5675906E+00 (-1/4)Del**2(Rho)) -0.1418977E+00 Diamond 0.1097248E+01 Metallicity 0.4875579E+01 Ellipticity 0.5164185E-01 Gb(Abramov) 0.2099040E+00 Vb(Abramov) -0.2779103E+00 Hb(Abramov) -0.6800632E-01 Ex_ueg -0.5641704E-01 Ec_ueg -0.8143400E-02 Delta_ex -0.6037767E-01 Delta_ec 0.1433240E-01 Delta_et -0.1895315E+00 Pxc 0.6927948E+01 Qxc -0.4212671E+01 3,-1 77 3 -1 -0.825210 3.523920 0.705409 Rho 0.1405958E+00 |GRAD(Rho)| 0.1098293E-14 GRAD(Rho)x 0.1021874E-14 GRAD(Rho)y 0.1797421E-15 GRAD(Rho)z -0.3601584E-15 Laplacian 0.5515701E+00 (-1/4)Del**2(Rho)) -0.1378925E+00 Diamond 0.1024612E+01 Metallicity 0.4749335E+01 Ellipticity 0.4841569E-01 Gb(Abramov) 0.2010780E+00 Vb(Abramov) -0.2642635E+00 Hb(Abramov) -0.6318546E-01 Ex_ueg -0.5399431E-01 Ec_ueg -0.7844252E-02 Delta_ex -0.5819889E-01 Delta_ec 0.1403502E-01 Delta_et -0.1847063E+00 Pxc 0.6883297E+01 Qxc -0.4146690E+01 3,-1 78 3 +1 -1.072357 2.407918 0.579118 Rho 0.2347770E-01 |GRAD(Rho)| 0.6558975E-14 GRAD(Rho)x 0.3874434E-14 GRAD(Rho)y -0.3195738E-14 GRAD(Rho)z 0.4218552E-14 Laplacian 0.9261038E-01 (-1/4)Del**2(Rho)) -0.2315260E-01 Diamond 0.1167122E-01 Metallicity 0.1432340E+01 Ellipticity -0.4249093E+01 Gb(Abramov) 0.2096213E-01 Vb(Abramov) -0.1877166E-01 Hb(Abramov) 0.2190466E-02 Ex_ueg -0.4965076E-02 Ec_ueg -0.1012379E-02 Delta_ex -0.5730596E-02 Delta_ec 0.1690043E-02 Delta_et -0.1465716E-01 Pxc 0.4904367E+01 Qxc -0.3390798E+01 3,+1 79 3 +1 -0.268298 -2.569157 1.166493 Rho 0.3003306E-02 |GRAD(Rho)| 0.7822519E-15 GRAD(Rho)x -0.2689911E-16 GRAD(Rho)y -0.4813545E-15 GRAD(Rho)z 0.6160295E-15 Laplacian 0.1196995E-01 (-1/4)Del**2(Rho)) -0.2992487E-02 Diamond 0.1055362E-03 Metallicity 0.3599041E+00 Ellipticity -0.1318178E+01 Gb(Abramov) 0.2174492E-02 Vb(Abramov) -0.1356498E-02 Hb(Abramov) 0.8179941E-03 Ex_ueg -0.3200254E-03 Ec_ueg -0.6202558E-04 Delta_ex -0.4768053E-03 Delta_ec 0.2614831E-03 Delta_et -0.1265440E-02 Pxc 0.5159571E+01 Qxc -0.1823465E+01 3,+1 80 3 +3 -0.177462 -2.282734 -1.474646 Rho 0.2679000E-02 |GRAD(Rho)| 0.2901395E-17 GRAD(Rho)x 0.2757373E-17 GRAD(Rho)y -0.7507011E-18 GRAD(Rho)z 0.5014354E-18 Laplacian 0.1070100E-01 (-1/4)Del**2(Rho)) -0.2675250E-02 Diamond 0.6949058E-04 Metallicity 0.3327694E+00 Ellipticity -0.5800815E+00 Gb(Abramov) 0.1931873E-02 Vb(Abramov) -0.1188497E-02 Hb(Abramov) 0.7433763E-03 Ex_ueg -0.2747992E-03 Ec_ueg -0.4844027E-04 Delta_ex -0.3921986E-03 Delta_ec 0.1901799E-03 Delta_et -0.9161629E-03 Pxc 0.5672948E+01 Qxc -0.2062251E+01 3,+3 81 3 +1 0.544886 1.533420 -0.849049 Rho 0.7203844E-02 |GRAD(Rho)| 0.9901634E-14 GRAD(Rho)x -0.5926142E-14 GRAD(Rho)y 0.6553083E-14 GRAD(Rho)z 0.4469933E-14 Laplacian 0.2943810E-01 (-1/4)Del**2(Rho)) -0.7359524E-02 Diamond 0.6888204E-03 Metallicity 0.6289903E+00 Ellipticity -0.1440491E+01 Gb(Abramov) 0.5677861E-02 Vb(Abramov) -0.3996198E-02 Hb(Abramov) 0.1681663E-02 Ex_ueg -0.1027553E-02 Ec_ueg -0.2429522E-03 Delta_ex -0.1326179E-02 Delta_ec 0.4853677E-03 Delta_et -0.3108341E-02 Pxc 0.4229445E+01 Qxc -0.2732317E+01 3,+1 82 3 +3 1.133690 1.496746 -0.026631 Rho 0.4067641E-02 |GRAD(Rho)| 0.7542618E-15 GRAD(Rho)x 0.1102909E-16 GRAD(Rho)y -0.4487274E-15 GRAD(Rho)z 0.6061625E-15 Laplacian 0.1643121E-01 (-1/4)Del**2(Rho)) -0.4107803E-02 Diamond 0.1002110E-03 Metallicity 0.4346917E+00 Ellipticity -0.1352007E+00 Gb(Abramov) 0.3036140E-02 Vb(Abramov) -0.1964477E-02 Hb(Abramov) 0.1071663E-02 Ex_ueg -0.4795589E-03 Ec_ueg -0.1070129E-03 Delta_ex -0.5530098E-03 Delta_ec 0.1022297E-03 Delta_et -0.6925691E-03 Pxc 0.4481317E+01 Qxc -0.5409482E+01 3,+3 83 3 +1 0.526471 1.535647 0.839359 Rho 0.7678641E-02 |GRAD(Rho)| 0.6621022E-16 GRAD(Rho)x -0.2630961E-16 GRAD(Rho)y 0.4859720E-16 GRAD(Rho)z -0.3646793E-16 Laplacian 0.3179897E-01 (-1/4)Del**2(Rho)) -0.7949742E-02 Diamond 0.7948424E-03 Metallicity 0.6476505E+00 Ellipticity -0.1428783E+01 Gb(Abramov) 0.6157937E-02 Vb(Abramov) -0.4366132E-02 Hb(Abramov) 0.1791805E-02 Ex_ueg -0.1118830E-02 Ec_ueg -0.2639464E-03 Delta_ex -0.1446184E-02 Delta_ec 0.5087983E-03 Delta_et -0.3325942E-02 Pxc 0.4238853E+01 Qxc -0.2842352E+01 3,+1 84 3 +1 -0.127101 2.206385 1.988161 Rho 0.5388415E-02 |GRAD(Rho)| 0.9569475E-17 GRAD(Rho)x -0.1483657E-19 GRAD(Rho)y 0.8379960E-17 GRAD(Rho)z -0.4620703E-17 Laplacian 0.2241457E-01 (-1/4)Del**2(Rho)) -0.5603643E-02 Diamond 0.5780108E-03 Metallicity 0.5091562E+00 Ellipticity -0.3060084E+01 Gb(Abramov) 0.4211284E-02 Vb(Abramov) -0.2818924E-02 Hb(Abramov) 0.1392359E-02 Ex_ueg -0.6976962E-03 Ec_ueg -0.1636660E-03 Delta_ex -0.1130711E-02 Delta_ec 0.7057938E-03 Delta_et -0.3920088E-02 Pxc 0.4262928E+01 Qxc -0.1602041E+01 3,+1 85 3 +3 0.026209 1.625060 -1.617386 Rho 0.4200465E-02 |GRAD(Rho)| 0.6117289E-17 GRAD(Rho)x 0.3981795E-17 GRAD(Rho)y -0.3897922E-17 GRAD(Rho)z 0.2524429E-17 Laplacian 0.1733661E-01 (-1/4)Del**2(Rho)) -0.4334153E-02 Diamond 0.1303027E-03 Metallicity 0.4346548E+00 Ellipticity -0.3563709E+00 Gb(Abramov) 0.3203412E-02 Vb(Abramov) -0.2072671E-02 Hb(Abramov) 0.1130741E-02 Ex_ueg -0.5005508E-03 Ec_ueg -0.1126695E-03 Delta_ex -0.6117327E-03 Delta_ec 0.1493680E-03 Delta_et -0.9325762E-03 Pxc 0.4442648E+01 Qxc -0.4095474E+01 3,+3 86 3 +1 1.788157 2.537340 -0.011113 Rho 0.1225208E-01 |GRAD(Rho)| 0.2172390E-16 GRAD(Rho)x -0.1391074E-16 GRAD(Rho)y 0.1200870E-16 GRAD(Rho)z -0.1158492E-16 Laplacian 0.6128751E-01 (-1/4)Del**2(Rho)) -0.1532188E-01 Diamond 0.2499816E-02 Metallicity 0.7321345E+00 Ellipticity -0.1246788E+01 Gb(Abramov) 0.1208420E-01 Vb(Abramov) -0.8846517E-02 Hb(Abramov) 0.3237680E-02 Ex_ueg -0.2086082E-02 Ec_ueg -0.4712183E-03 Delta_ex -0.3021536E-02 Delta_ec 0.7819521E-03 Delta_et -0.5903500E-02 Pxc 0.4426997E+01 Qxc -0.3864093E+01 3,+1 87 3 +3 0.018654 1.628939 1.620893 Rho 0.4407886E-02 |GRAD(Rho)| 0.1000957E-11 GRAD(Rho)x -0.1329308E-12 GRAD(Rho)y -0.5911718E-12 GRAD(Rho)z 0.7967186E-12 Laplacian 0.1838632E-01 (-1/4)Del**2(Rho)) -0.4596581E-02 Diamond 0.1491951E-03 Metallicity 0.4441218E+00 Ellipticity -0.3363412E+00 Gb(Abramov) 0.3404628E-02 Vb(Abramov) -0.2212674E-02 Hb(Abramov) 0.1191953E-02 Ex_ueg -0.5337757E-03 Ec_ueg -0.1215214E-03 Delta_ex -0.6586685E-03 Delta_ec 0.1616697E-03 Delta_et -0.1016077E-02 Pxc 0.4392443E+01 Qxc -0.4074162E+01 3,+3 88 3 -1 1.840207 2.391855 -1.572272 Rho 0.1267301E+00 |GRAD(Rho)| 0.2726223E-13 GRAD(Rho)x 0.2106555E-13 GRAD(Rho)y -0.1573946E-13 GRAD(Rho)z -0.7193139E-14 Laplacian 0.5310658E+00 (-1/4)Del**2(Rho)) -0.1327664E+00 Diamond 0.8665894E+00 Metallicity 0.4148885E+01 Ellipticity 0.1130684E-01 Gb(Abramov) 0.1803164E+00 Vb(Abramov) -0.2278664E+00 Hb(Abramov) -0.4754997E-01 Ex_ueg -0.4701376E-01 Ec_ueg -0.6971004E-02 Delta_ex -0.5458850E-01 Delta_ec 0.1376279E-01 Delta_et -0.1780548E+00 Pxc 0.6744188E+01 Qxc -0.3966383E+01 3,-1 89 3 -1 1.832177 2.372515 1.555644 Rho 0.1343518E+00 |GRAD(Rho)| 0.1148378E-12 GRAD(Rho)x 0.1267629E-13 GRAD(Rho)y 0.5583740E-13 GRAD(Rho)z -0.9954501E-13 Laplacian 0.5651414E+00 (-1/4)Del**2(Rho)) -0.1412853E+00 Diamond 0.1001877E+01 Metallicity 0.4297294E+01 Ellipticity 0.1161984E-01 Gb(Abramov) 0.1953810E+00 Vb(Abramov) -0.2494767E+00 Hb(Abramov) -0.5409566E-01 Ex_ueg -0.5082097E-01 Ec_ueg -0.7449458E-02 Delta_ex -0.5906473E-01 Delta_ec 0.1470146E-01 Delta_et -0.1924766E+00 Pxc 0.6822102E+01 Qxc -0.4017611E+01 3,-1 90 3 -1 3.016154 0.853329 1.992778 Rho 0.1838554E+00 |GRAD(Rho)| 0.6197447E-15 GRAD(Rho)x -0.2566849E-15 GRAD(Rho)y 0.5521842E-15 GRAD(Rho)z -0.1152778E-15 Laplacian 0.7212997E+00 (-1/4)Del**2(Rho)) -0.1803249E+00 Diamond 0.1853056E+01 Metallicity 0.5679255E+01 Ellipticity 0.4637733E-01 Gb(Abramov) 0.2909018E+00 Vb(Abramov) -0.4014787E+00 Hb(Abramov) -0.1105769E+00 Ex_ueg -0.7721237E-01 Ec_ueg -0.1064494E-01 Delta_ex -0.8138737E-01 Delta_ec 0.1718900E-01 Delta_et -0.2339448E+00 Pxc 0.7253433E+01 Qxc -0.4734851E+01 3,-1 91 3 +1 -0.564449 0.789886 1.573036 Rho 0.8847871E-02 |GRAD(Rho)| 0.1182465E-12 GRAD(Rho)x -0.3982064E-13 GRAD(Rho)y -0.4515887E-13 GRAD(Rho)z -0.1017704E-12 Laplacian 0.3682947E-01 (-1/4)Del**2(Rho)) -0.9207368E-02 Diamond 0.1046962E-02 Metallicity 0.7081888E+00 Ellipticity -0.1408976E+01 Gb(Abramov) 0.7225004E-02 Vb(Abramov) -0.5242641E-02 Hb(Abramov) 0.1982364E-02 Ex_ueg -0.1351565E-02 Ec_ueg -0.3160842E-03 Delta_ex -0.1704408E-02 Delta_ec 0.5356267E-03 Delta_et -0.3673814E-02 Pxc 0.4275964E+01 Qxc -0.3182082E+01 3,+1 92 3 +1 -0.128837 2.224632 -2.000010 Rho 0.5235941E-02 |GRAD(Rho)| 0.1042772E-16 GRAD(Rho)x -0.7487951E-17 GRAD(Rho)y -0.4879192E-17 GRAD(Rho)z -0.5372282E-17 Laplacian 0.2168988E-01 (-1/4)Del**2(Rho)) -0.5422470E-02 Diamond 0.5390776E-03 Metallicity 0.5015881E+00 Ellipticity -0.2940120E+01 Gb(Abramov) 0.4068288E-02 Vb(Abramov) -0.2714106E-02 Hb(Abramov) 0.1354182E-02 Ex_ueg -0.6714979E-03 Ec_ueg -0.1570804E-03 Delta_ex -0.1088872E-02 Delta_ec 0.6844314E-03 Delta_et -0.3768263E-02 Pxc 0.4274868E+01 Qxc -0.1590914E+01 3,+1 93 3 -1 1.645560 -0.960129 -1.516037 Rho 0.3738381E-01 |GRAD(Rho)| 0.3917833E-12 GRAD(Rho)x -0.2947157E-12 GRAD(Rho)y 0.2527411E-12 GRAD(Rho)z 0.5252340E-13 Laplacian 0.1421621E+00 (-1/4)Del**2(Rho)) -0.3554052E-01 Diamond 0.4836287E-01 Metallicity 0.2025981E+01 Ellipticity 0.4079256E-01 Gb(Abramov) 0.3569441E-01 Vb(Abramov) -0.3584831E-01 Hb(Abramov) -0.1538939E-03 Ex_ueg -0.9232013E-02 Ec_ueg -0.1730396E-02 Delta_ex -0.1087326E-01 Delta_ec 0.4225100E-02 Delta_et -0.4122686E-01 Pxc 0.5335203E+01 Qxc -0.2573492E+01 3,-1 94 3 +1 -2.140332 1.704995 -0.150403 Rho 0.2359545E-01 |GRAD(Rho)| 0.2300905E-16 GRAD(Rho)x 0.2281720E-16 GRAD(Rho)y -0.2267074E-17 GRAD(Rho)z -0.1910998E-17 Laplacian 0.9117433E-01 (-1/4)Del**2(Rho)) -0.2279358E-01 Diamond 0.1102453E-01 Metallicity 0.1467082E+01 Ellipticity -0.3527713E+01 Gb(Abramov) 0.2076906E-01 Vb(Abramov) -0.1874454E-01 Hb(Abramov) 0.2024520E-02 Ex_ueg -0.4998304E-02 Ec_ueg -0.1018260E-02 Delta_ex -0.5585232E-02 Delta_ec 0.1549697E-02 Delta_et -0.1348581E-01 Pxc 0.4908670E+01 Qxc -0.3604080E+01 3,+1 95 3 +1 -0.614035 -0.849120 1.537836 Rho 0.9482657E-02 |GRAD(Rho)| 0.2182055E-12 GRAD(Rho)x -0.1200010E-12 GRAD(Rho)y 0.1822451E-12 GRAD(Rho)z -0.3582211E-15 Laplacian 0.4061613E-01 (-1/4)Del**2(Rho)) -0.1015403E-01 Diamond 0.1321141E-02 Metallicity 0.7207721E+00 Ellipticity -0.1449975E+01 Gb(Abramov) 0.7989147E-02 Vb(Abramov) -0.5824259E-02 Hb(Abramov) 0.2164887E-02 Ex_ueg -0.1482376E-02 Ec_ueg -0.3446436E-03 Delta_ex -0.1933533E-02 Delta_ec 0.6275196E-03 Delta_et -0.4353794E-02 Pxc 0.4301186E+01 Qxc -0.3081231E+01 3,+1 96 3 +1 -0.619136 -0.858026 -1.516635 Rho 0.9675723E-02 |GRAD(Rho)| 0.2438162E-16 GRAD(Rho)x 0.2020271E-16 GRAD(Rho)y 0.1267806E-16 GRAD(Rho)z -0.5057771E-17 Laplacian 0.4177039E-01 (-1/4)Del**2(Rho)) -0.1044260E-01 Diamond 0.1397220E-02 Metallicity 0.7247981E+00 Ellipticity -0.1449857E+01 Gb(Abramov) 0.8223193E-02 Vb(Abramov) -0.6003790E-02 Hb(Abramov) 0.2219403E-02 Ex_ueg -0.1522754E-02 Ec_ueg -0.3533643E-03 Delta_ex -0.1998850E-02 Delta_ec 0.6458265E-03 Delta_et -0.4504150E-02 Pxc 0.4309302E+01 Qxc -0.3095027E+01 3,+1 97 3 +1 3.020741 0.085912 -0.089015 Rho 0.4632870E-02 |GRAD(Rho)| 0.2447817E-17 GRAD(Rho)x 0.1267681E-18 GRAD(Rho)y 0.7928485E-18 GRAD(Rho)z 0.2312387E-17 Laplacian 0.1871104E-01 (-1/4)Del**2(Rho)) -0.4677759E-02 Diamond 0.4323728E-03 Metallicity 0.4741679E+00 Ellipticity -0.5541040E+01 Gb(Abramov) 0.3488180E-02 Vb(Abramov) -0.2298601E-02 Hb(Abramov) 0.1189579E-02 Ex_ueg -0.5704075E-03 Ec_ueg -0.1311481E-03 Delta_ex -0.9563985E-03 Delta_ec 0.6599217E-03 Delta_et -0.3473905E-02 Pxc 0.4349340E+01 Qxc -0.1449261E+01 3,+1 98 3 -1 1.649661 -0.958599 1.532789 Rho 0.3356523E-01 |GRAD(Rho)| 0.9354918E-16 GRAD(Rho)x -0.4109550E-16 GRAD(Rho)y 0.6954511E-16 GRAD(Rho)z -0.4718143E-16 Laplacian 0.1334052E+00 (-1/4)Del**2(Rho)) -0.3335130E-01 Diamond 0.4074902E-01 Metallicity 0.1804083E+01 Ellipticity 0.4131419E-01 Gb(Abramov) 0.3226229E-01 Vb(Abramov) -0.3117327E-01 Hb(Abramov) 0.1089015E-02 Ex_ueg -0.7996586E-02 Ec_ueg -0.1528930E-02 Delta_ex -0.1005069E-01 Delta_ec 0.4170303E-02 Delta_et -0.3951306E-01 Pxc 0.5230185E+01 Qxc -0.2410063E+01 3,-1 99 3 +1 1.380121 -0.849840 2.173732 Rho 0.2403866E-01 |GRAD(Rho)| 0.4592441E-16 GRAD(Rho)x 0.3148404E-16 GRAD(Rho)y -0.2835728E-16 GRAD(Rho)z -0.1771078E-16 Laplacian 0.9356045E-01 (-1/4)Del**2(Rho)) -0.2339011E-01 Diamond 0.1060217E-01 Metallicity 0.1474703E+01 Ellipticity -0.2495569E+01 Gb(Abramov) 0.2134232E-01 Vb(Abramov) -0.1929453E-01 Hb(Abramov) 0.2047794E-02 Ex_ueg -0.5123876E-02 Ec_ueg -0.1040435E-02 Delta_ex -0.5644935E-02 Delta_ec 0.1385061E-02 Delta_et -0.1216160E-01 Pxc 0.4924745E+01 Qxc -0.4075587E+01 3,+1 100 3 -1 -0.569145 -0.672056 -3.191071 Rho 0.1469546E+00 |GRAD(Rho)| 0.8370262E-14 GRAD(Rho)x 0.5362396E-14 GRAD(Rho)y 0.5336091E-14 GRAD(Rho)z -0.3582197E-14 Laplacian 0.6262117E+00 (-1/4)Del**2(Rho)) -0.1565529E+00 Diamond 0.1234769E+01 Metallicity 0.4503299E+01 Ellipticity 0.1847825E-01 Gb(Abramov) 0.2218694E+00 Vb(Abramov) -0.2871859E+00 Hb(Abramov) -0.6531648E-01 Ex_ueg -0.5727470E-01 Ec_ueg -0.8248853E-02 Delta_ex -0.6687701E-01 Delta_ec 0.1590781E-01 Delta_et -0.2110156E+00 Pxc 0.6943353E+01 Qxc -0.4204036E+01 3,-1 101 3 +1 1.333221 -0.817794 -2.200617 Rho 0.2593367E-01 |GRAD(Rho)| 0.3790481E-15 GRAD(Rho)x -0.3831757E-16 GRAD(Rho)y 0.3519592E-15 GRAD(Rho)z -0.1354029E-15 Laplacian 0.1013762E+00 (-1/4)Del**2(Rho)) -0.2534405E-01 Diamond 0.1369696E-01 Metallicity 0.1544485E+01 Ellipticity -0.3476937E+01 Gb(Abramov) 0.2341995E-01 Vb(Abramov) -0.2149585E-01 Hb(Abramov) 0.1924097E-02 Ex_ueg -0.5669399E-02 Ec_ueg -0.1135837E-02 Delta_ex -0.6341478E-02 Delta_ec 0.1674398E-02 Delta_et -0.1492241E-01 Pxc 0.4991384E+01 Qxc -0.3787319E+01 3,+1 102 3 +1 1.671143 -0.789055 0.016555 Rho 0.8229585E-02 |GRAD(Rho)| 0.8614202E-17 GRAD(Rho)x 0.4968110E-17 GRAD(Rho)y -0.3759619E-17 GRAD(Rho)z -0.5948749E-17 Laplacian 0.3492243E-01 (-1/4)Del**2(Rho)) -0.8730609E-02 Diamond 0.9401244E-03 Metallicity 0.6619195E+00 Ellipticity -0.1407819E+01 Gb(Abramov) 0.6783566E-02 Vb(Abramov) -0.4836523E-02 Hb(Abramov) 0.1947043E-02 Ex_ueg -0.1227125E-02 Ec_ueg -0.2884373E-03 Delta_ex -0.1606399E-02 Delta_ec 0.5425732E-03 Delta_et -0.3624550E-02 Pxc 0.4254392E+01 Qxc -0.2960705E+01 3,+1 103 3 +1 2.047281 0.046402 -2.853969 Rho 0.1215865E-01 |GRAD(Rho)| 0.5131079E-16 GRAD(Rho)x 0.2287519E-16 GRAD(Rho)y 0.4261906E-16 GRAD(Rho)z 0.1712127E-16 Laplacian 0.5708528E-01 (-1/4)Del**2(Rho)) -0.1427132E-01 Diamond 0.2054685E-02 Metallicity 0.7760644E+00 Ellipticity -0.1216721E+01 Gb(Abramov) 0.1136012E-01 Vb(Abramov) -0.8448927E-02 Hb(Abramov) 0.2911196E-02 Ex_ueg -0.2064898E-02 Ec_ueg -0.4668976E-03 Delta_ex -0.2737843E-02 Delta_ec 0.6018949E-03 Delta_et -0.4633840E-02 Pxc 0.4422594E+01 Qxc -0.4548706E+01 3,+1 104 3 +1 2.099097 -0.086136 -1.666071 Rho 0.2062732E-01 |GRAD(Rho)| 0.4002510E-16 GRAD(Rho)x -0.3725220E-16 GRAD(Rho)y 0.4879220E-17 GRAD(Rho)z 0.1380128E-16 Laplacian 0.8195004E-01 (-1/4)Del**2(Rho)) -0.2048751E-01 Diamond 0.9664196E-02 Metallicity 0.1304574E+01 Ellipticity -0.9043869E+01 Gb(Abramov) 0.1811292E-01 Vb(Abramov) -0.1573832E-01 Hb(Abramov) 0.2374592E-02 Ex_ueg -0.4178067E-02 Ec_ueg -0.8711823E-03 Delta_ex -0.5044938E-02 Delta_ec 0.1750584E-02 Delta_et -0.1460545E-01 Pxc 0.4795858E+01 Qxc -0.2881860E+01 3,+1 105 3 +3 2.324604 0.085033 -0.010704 Rho 0.3704266E-02 |GRAD(Rho)| 0.3725492E-17 GRAD(Rho)x -0.1167841E-17 GRAD(Rho)y -0.3535054E-17 GRAD(Rho)z -0.1372139E-18 Laplacian 0.1523888E-01 (-1/4)Del**2(Rho)) -0.3809719E-02 Diamond 0.1004255E-03 Metallicity 0.4010179E+00 Ellipticity -0.3185482E+00 Gb(Abramov) 0.2794441E-02 Vb(Abramov) -0.1779162E-02 Hb(Abramov) 0.1015279E-02 Ex_ueg -0.4233062E-03 Ec_ueg -0.9158545E-04 Delta_ex -0.5260900E-03 Delta_ec 0.1407765E-03 Delta_et -0.8386420E-03 Pxc 0.4621980E+01 Qxc -0.3737059E+01 3,+3 106 3 +1 2.048772 0.017260 2.848093 Rho 0.1207856E-01 |GRAD(Rho)| 0.3571345E-14 GRAD(Rho)x -0.2966257E-14 GRAD(Rho)y -0.9917997E-15 GRAD(Rho)z -0.1723994E-14 Laplacian 0.5633620E-01 (-1/4)Del**2(Rho)) -0.1408405E-01 Diamond 0.2005984E-02 Metallicity 0.7777699E+00 Ellipticity -0.1218031E+01 Gb(Abramov) 0.1121506E-01 Vb(Abramov) -0.8346067E-02 Hb(Abramov) 0.2868992E-02 Ex_ueg -0.2046785E-02 Ec_ueg -0.4631970E-03 Delta_ex -0.2696107E-02 Delta_ec 0.5922705E-03 Delta_et -0.4554558E-02 Pxc 0.4418821E+01 Qxc -0.4552154E+01 3,+1 107 3 -1 1.696217 0.813485 -1.565165 Rho 0.2550998E-01 |GRAD(Rho)| 0.2225356E-16 GRAD(Rho)x 0.1346690E-16 GRAD(Rho)y 0.1660211E-16 GRAD(Rho)z -0.6183341E-17 Laplacian 0.1012583E+00 (-1/4)Del**2(Rho)) -0.2531458E-01 Diamond 0.2027326E-01 Metallicity 0.1504409E+01 Ellipticity 0.8304023E-01 Gb(Abramov) 0.2322363E-01 Vb(Abramov) -0.2113269E-01 Hb(Abramov) 0.2090944E-02 Ex_ueg -0.5546239E-02 Ec_ueg -0.1114425E-02 Delta_ex -0.7035520E-02 Delta_ec 0.2974706E-02 Delta_et -0.2611481E-01 Pxc 0.4976771E+01 Qxc -0.2365114E+01 3,-1 108 3 +1 1.705089 0.777130 -0.019047 Rho 0.6209127E-02 |GRAD(Rho)| 0.1449930E-16 GRAD(Rho)x 0.1275918E-16 GRAD(Rho)y 0.6401252E-17 GRAD(Rho)z 0.2541077E-17 Laplacian 0.2457863E-01 (-1/4)Del**2(Rho)) -0.6144659E-02 Diamond 0.4711570E-03 Metallicity 0.5880843E+00 Ellipticity -0.1418506E+01 Gb(Abramov) 0.4698702E-02 Vb(Abramov) -0.3252745E-02 Hb(Abramov) 0.1445957E-02 Ex_ueg -0.8428670E-03 Ec_ueg -0.1993119E-03 Delta_ex -0.1069202E-02 Delta_ec 0.4064525E-03 Delta_et -0.2499491E-02 Pxc 0.4228885E+01 Qxc -0.2630570E+01 3,+1 109 3 -1 1.991174 -1.534792 -2.681833 Rho 0.1287115E+00 |GRAD(Rho)| 0.2038680E-09 GRAD(Rho)x -0.1018823E-09 GRAD(Rho)y 0.6191197E-10 GRAD(Rho)z -0.1653755E-09 Laplacian 0.5004734E+00 (-1/4)Del**2(Rho)) -0.1251184E+00 Diamond 0.8556314E+00 Metallicity 0.4517808E+01 Ellipticity 0.2212161E-01 Gb(Abramov) 0.1776224E+00 Vb(Abramov) -0.2301264E+00 Hb(Abramov) -0.5250400E-01 Ex_ueg -0.4799635E-01 Ec_ueg -0.7095015E-02 Delta_ex -0.5192527E-01 Delta_ec 0.1343645E-01 Delta_et -0.1752305E+00 Pxc 0.6764799E+01 Qxc -0.3864510E+01 3,-1 110 3 +1 1.337149 0.756459 2.174935 Rho 0.2258185E-01 |GRAD(Rho)| 0.3642144E-16 GRAD(Rho)x -0.2490250E-17 GRAD(Rho)y 0.2074502E-16 GRAD(Rho)z 0.2983227E-16 Laplacian 0.8430504E-01 (-1/4)Del**2(Rho)) -0.2107626E-01 Diamond 0.8964858E-02 Metallicity 0.1474661E+01 Ellipticity -0.2849556E+01 Gb(Abramov) 0.1923090E-01 Vb(Abramov) -0.1738553E-01 Hb(Abramov) 0.1845365E-02 Ex_ueg -0.4714088E-02 Ec_ueg -0.9677519E-03 Delta_ex -0.5025993E-02 Delta_ec 0.1292685E-02 Delta_et -0.1116954E-01 Pxc 0.4871174E+01 Qxc -0.3888026E+01 3,+1 111 3 -1 1.988637 -1.547476 2.695349 Rho 0.1190059E+00 |GRAD(Rho)| 0.5266893E-12 GRAD(Rho)x 0.2643573E-12 GRAD(Rho)y -0.1625254E-12 GRAD(Rho)z -0.4255612E-12 Laplacian 0.4561623E+00 (-1/4)Del**2(Rho)) -0.1140406E+00 Diamond 0.7036422E+00 Metallicity 0.4349521E+01 Ellipticity 0.2687565E-01 Gb(Abramov) 0.1586973E+00 Vb(Abramov) -0.2033541E+00 Hb(Abramov) -0.4465678E-01 Ex_ueg -0.4323245E-01 Ec_ueg -0.6490101E-02 Delta_ex -0.4636875E-01 Delta_ec 0.1232565E-01 Delta_et -0.1583377E+00 Pxc 0.6661290E+01 Qxc -0.3761973E+01 3,-1 112 3 +1 1.391209 0.780889 -2.129097 Rho 0.2032459E-01 |GRAD(Rho)| 0.1152026E-13 GRAD(Rho)x 0.1080484E-13 GRAD(Rho)y -0.2092585E-14 GRAD(Rho)z -0.3404825E-14 Laplacian 0.7625493E-01 (-1/4)Del**2(Rho)) -0.1906373E-01 Diamond 0.6690264E-02 Metallicity 0.1367880E+01 Ellipticity -0.2273316E+01 Gb(Abramov) 0.1705531E-01 Vb(Abramov) -0.1504688E-01 Hb(Abramov) 0.2008427E-02 Ex_ueg -0.4096510E-02 Ec_ueg -0.8563254E-03 Delta_ex -0.4373052E-02 Delta_ec 0.1086577E-02 Delta_et -0.9185975E-02 Pxc 0.4783824E+01 Qxc -0.4024614E+01 3,+1 113 3 +1 2.111276 -0.284187 1.676585 Rho 0.2011450E-01 |GRAD(Rho)| 0.2101530E-14 GRAD(Rho)x 0.8259271E-15 GRAD(Rho)y -0.1899192E-14 GRAD(Rho)z 0.3568513E-15 Laplacian 0.7595266E-01 (-1/4)Del**2(Rho)) -0.1898817E-01 Diamond 0.6955444E-02 Metallicity 0.1349747E+01 Ellipticity -0.2518611E+01 Gb(Abramov) 0.1693031E-01 Vb(Abramov) -0.1487246E-01 Hb(Abramov) 0.2057853E-02 Ex_ueg -0.4040149E-02 Ec_ueg -0.8460314E-03 Delta_ex -0.4399596E-02 Delta_ec 0.1182415E-02 Delta_et -0.9927637E-02 Pxc 0.4775413E+01 Qxc -0.3720857E+01 3,+1 114 3 +3 -0.191005 -2.244894 1.512942 Rho 0.2839678E-02 |GRAD(Rho)| 0.8891051E-16 GRAD(Rho)x 0.3069265E-16 GRAD(Rho)y 0.8158621E-16 GRAD(Rho)z -0.1751370E-16 Laplacian 0.1143803E-01 (-1/4)Del**2(Rho)) -0.2859507E-02 Diamond 0.7987098E-04 Metallicity 0.3430656E+00 Ellipticity -0.6520559E+00 Gb(Abramov) 0.2069837E-02 Vb(Abramov) -0.1280168E-02 Hb(Abramov) 0.7896691E-03 Ex_ueg -0.2969914E-03 Ec_ueg -0.5516387E-04 Delta_ex -0.4235248E-03 Delta_ec 0.2016839E-03 Delta_et -0.9890140E-03 Pxc 0.5383802E+01 Qxc -0.2099943E+01 3,+3 115 3 -1 2.959694 -0.810986 -1.971890 Rho 0.8021544E-01 |GRAD(Rho)| 0.9396183E-16 GRAD(Rho)x -0.8185896E-16 GRAD(Rho)y -0.4507909E-16 GRAD(Rho)z -0.9788313E-17 Laplacian 0.3238583E+00 (-1/4)Del**2(Rho)) -0.8096457E-01 Diamond 0.3064213E+00 Metallicity 0.3174594E+01 Ellipticity 0.4870604E-03 Gb(Abramov) 0.9681464E-01 Vb(Abramov) -0.1126647E+00 Hb(Abramov) -0.1585008E-01 Ex_ueg -0.2555028E-01 Ec_ueg -0.4143084E-02 Delta_ex -0.2995548E-01 Delta_ec 0.9378331E-02 Delta_et -0.1111232E+00 Pxc 0.6166972E+01 Qxc -0.3194116E+01 3,-1 116 3 +1 -0.573427 0.796813 -1.571061 Rho 0.8399590E-02 |GRAD(Rho)| 0.4116178E-13 GRAD(Rho)x -0.2154526E-13 GRAD(Rho)y -0.3505095E-13 GRAD(Rho)z 0.1234774E-14 Laplacian 0.3465144E-01 (-1/4)Del**2(Rho)) -0.8662860E-02 Diamond 0.9331837E-03 Metallicity 0.6902218E+00 Ellipticity -0.1415981E+01 Gb(Abramov) 0.6771789E-02 Vb(Abramov) -0.4880718E-02 Hb(Abramov) 0.1891071E-02 Ex_ueg -0.1261041E-02 Ec_ueg -0.2960221E-03 Delta_ex -0.1589963E-02 Delta_ec 0.5168140E-03 Delta_et -0.3487131E-02 Pxc 0.4259954E+01 Qxc -0.3076471E+01 3,+1 117 3 -1 -3.237444 -2.176551 2.303733 Rho 0.2300303E+00 |GRAD(Rho)| 0.5299154E-12 GRAD(Rho)x 0.4096990E-12 GRAD(Rho)y 0.7454236E-13 GRAD(Rho)z -0.3277202E-12 Laplacian 0.8491128E+00 (-1/4)Del**2(Rho)) -0.2122782E+00 Diamond 0.2854574E+01 Metallicity 0.7008462E+01 Ellipticity 0.2135407E-01 Gb(Abramov) 0.3894761E+00 Vb(Abramov) -0.5666740E+00 Hb(Abramov) -0.1771979E+00 Ex_ueg -0.1040954E+00 Ec_ueg -0.1375266E-01 Delta_ex -0.1014678E+00 Delta_ec 0.1900264E-01 Delta_et -0.2628185E+00 Pxc 0.7569115E+01 Qxc -0.5339669E+01 3,-1 118 3 +1 -1.767801 0.033239 -2.460650 Rho 0.1157827E-01 |GRAD(Rho)| 0.3264991E-16 GRAD(Rho)x 0.2562318E-16 GRAD(Rho)y -0.8765394E-17 GRAD(Rho)z -0.1823834E-16 Laplacian 0.5645524E-01 (-1/4)Del**2(Rho)) -0.1411381E-01 Diamond 0.2169809E-02 Metallicity 0.7232941E+00 Ellipticity -0.1283377E+01 Gb(Abramov) 0.1111061E-01 Vb(Abramov) -0.8107415E-02 Hb(Abramov) 0.3003197E-02 Ex_ueg -0.1934535E-02 Ec_ueg -0.4401356E-03 Delta_ex -0.2753821E-02 Delta_ec 0.7414050E-03 Delta_et -0.5504040E-02 Pxc 0.4395316E+01 Qxc -0.3714328E+01 3,+1 119 3 -1 -2.802974 0.906260 -1.672104 Rho 0.1834544E+00 |GRAD(Rho)| 0.4506557E-16 GRAD(Rho)x 0.3477578E-16 GRAD(Rho)y 0.8727827E-17 GRAD(Rho)z -0.2730157E-16 Laplacian 0.7434324E+00 (-1/4)Del**2(Rho)) -0.1858581E+00 Diamond 0.1874371E+01 Metallicity 0.5490164E+01 Ellipticity 0.3030112E-01 Gb(Abramov) 0.2939706E+00 Vb(Abramov) -0.4020832E+00 Hb(Abramov) -0.1081125E+00 Ex_ueg -0.7698792E-01 Ec_ueg -0.1061848E-01 Delta_ex -0.8360579E-01 Delta_ec 0.1731143E-01 Delta_et -0.2342751E+00 Pxc 0.7250373E+01 Qxc -0.4829515E+01 3,-1 120 3 -1 -2.796398 0.885551 1.649197 Rho 0.1903385E+00 |GRAD(Rho)| 0.1984735E-08 GRAD(Rho)x -0.4758174E-09 GRAD(Rho)y -0.1923085E-08 GRAD(Rho)z -0.1204784E-09 Laplacian 0.7778715E+00 (-1/4)Del**2(Rho)) -0.1944679E+00 Diamond 0.2068083E+01 Metallicity 0.5579345E+01 Ellipticity 0.2226496E-01 Gb(Abramov) 0.3104791E+00 Vb(Abramov) -0.4264904E+00 Hb(Abramov) -0.1160113E+00 Ex_ueg -0.8086378E-01 Ec_ueg -0.1107408E-01 Delta_ex -0.8843413E-01 Delta_ec 0.1816821E-01 Delta_et -0.2474349E+00 Pxc 0.7302073E+01 Qxc -0.4867521E+01 3,-1 121 3 -1 -1.805365 1.569589 2.360233 Rho 0.1387974E+00 |GRAD(Rho)| 0.6001611E-15 GRAD(Rho)x 0.5088161E-15 GRAD(Rho)y -0.2164745E-15 GRAD(Rho)z 0.2333203E-15 Laplacian 0.5764975E+00 (-1/4)Del**2(Rho)) -0.1441244E+00 Diamond 0.1071686E+01 Metallicity 0.4447523E+01 Ellipticity 0.9509492E-02 Gb(Abramov) 0.2029157E+00 Vb(Abramov) -0.2617069E+00 Hb(Abramov) -0.5879128E-01 Ex_ueg -0.5307545E-01 Ec_ueg -0.7730292E-02 Delta_ex -0.6082826E-01 Delta_ec 0.1505494E-01 Delta_et -0.1984589E+00 Pxc 0.6865905E+01 Qxc -0.4040419E+01 3,-1 122 3 -1 -1.816330 1.578586 -2.375414 Rho 0.1285573E+00 |GRAD(Rho)| 0.2069499E-14 GRAD(Rho)x -0.1598331E-14 GRAD(Rho)y 0.6613904E-15 GRAD(Rho)z 0.1136102E-14 Laplacian 0.5311848E+00 (-1/4)Del**2(Rho)) -0.1327962E+00 Diamond 0.8900207E+00 Metallicity 0.4248106E+01 Ellipticity 0.9973699E-02 Gb(Abramov) 0.1825529E+00 Vb(Abramov) -0.2323095E+00 Hb(Abramov) -0.4975666E-01 Ex_ueg -0.4791969E-01 Ec_ueg -0.7085353E-02 Delta_ex -0.5489014E-01 Delta_ec 0.1389779E-01 Delta_et -0.1805508E+00 Pxc 0.6763204E+01 Qxc -0.3949558E+01 3,-1 123 3 -1 -1.720550 1.518031 -0.851587 Rho 0.3717921E-01 |GRAD(Rho)| 0.2984492E-16 GRAD(Rho)x -0.7995356E-17 GRAD(Rho)y 0.2039115E-16 GRAD(Rho)z -0.2027299E-16 Laplacian 0.1505144E+00 (-1/4)Del**2(Rho)) -0.3762859E-01 Diamond 0.5223435E-01 Metallicity 0.1896133E+01 Ellipticity 0.1896294E-01 Gb(Abramov) 0.3697720E-01 Vb(Abramov) -0.3632580E-01 Hb(Abramov) 0.6513944E-03 Ex_ueg -0.9164707E-02 Ec_ueg -0.1719528E-02 Delta_ex -0.1158678E-01 Delta_ec 0.4634633E-02 Delta_et -0.4516649E-01 Pxc 0.5329781E+01 Qxc -0.2500042E+01 3,-1 124 3 -1 -1.708260 1.511296 0.840737 Rho 0.4284743E-01 |GRAD(Rho)| 0.8864620E-16 GRAD(Rho)x -0.8359749E-16 GRAD(Rho)y 0.2400661E-16 GRAD(Rho)z 0.1712574E-16 Laplacian 0.1674016E+00 (-1/4)Del**2(Rho)) -0.4185040E-01 Diamond 0.6815170E-01 Metallicity 0.2159707E+01 Ellipticity 0.2141048E-01 Gb(Abramov) 0.4296437E-01 Vb(Abramov) -0.4407834E-01 Hb(Abramov) -0.1113970E-02 Ex_ueg -0.1107350E-01 Ec_ueg -0.2023498E-02 Delta_ex -0.1322275E-01 Delta_ec 0.4932644E-02 Delta_et -0.4992520E-01 Pxc 0.5472452E+01 Qxc -0.2680661E+01 3,-1 125 3 +3 -1.807971 2.600236 -0.014770 Rho 0.1173942E-01 |GRAD(Rho)| 0.1884688E-13 GRAD(Rho)x 0.1044845E-13 GRAD(Rho)y -0.1565527E-13 GRAD(Rho)z -0.9733829E-15 Laplacian 0.5285381E-01 (-1/4)Del**2(Rho)) -0.1321345E-01 Diamond 0.1034440E-02 Metallicity 0.7905840E+00 Ellipticity -0.5335940E+00 Gb(Abramov) 0.1055003E-01 Vb(Abramov) -0.7886599E-02 Hb(Abramov) 0.2663427E-02 Ex_ueg -0.1970519E-02 Ec_ueg -0.4475532E-03 Delta_ex -0.2279313E-02 Delta_ec 0.1438200E-03 Delta_et -0.1494122E-02 Pxc 0.4402871E+01 Qxc -0.1584838E+02 3,+3 126 3 -1 -0.567978 -0.675215 3.206111 Rho 0.1474419E+00 |GRAD(Rho)| 0.4533112E-12 GRAD(Rho)x 0.3011531E-12 GRAD(Rho)y 0.3040267E-12 GRAD(Rho)z 0.1495514E-12 Laplacian 0.6266649E+00 (-1/4)Del**2(Rho)) -0.1566662E+00 Diamond 0.1239977E+01 Metallicity 0.4524938E+01 Ellipticity 0.1896694E-01 Gb(Abramov) 0.2225950E+00 Vb(Abramov) -0.2885237E+00 Hb(Abramov) -0.6592875E-01 Ex_ueg -0.5752804E-01 Ec_ueg -0.8279960E-02 Delta_ex -0.6697359E-01 Delta_ec 0.1589521E-01 Delta_et -0.2109222E+00 Pxc 0.6947865E+01 Qxc -0.4213444E+01 3,-1 127 3 -1 -0.424383 0.458052 0.005642 Rho 0.1971770E+00 |GRAD(Rho)| 0.2957424E-13 GRAD(Rho)x 0.9234311E-14 GRAD(Rho)y -0.2785357E-13 GRAD(Rho)z -0.3679965E-14 Laplacian 0.6615817E+00 (-1/4)Del**2(Rho)) -0.1653954E+00 Diamond 0.2053257E+01 Metallicity 0.6957556E+01 Ellipticity 0.2910636E-02 Gb(Abramov) 0.3020550E+00 Vb(Abramov) -0.4387145E+00 Hb(Abramov) -0.1366595E+00 Ex_ueg -0.8476048E-01 Ec_ueg -0.1152932E-01 Delta_ex -0.7740256E-01 Delta_ec 0.1799828E-01 Delta_et -0.2551330E+00 Pxc 0.7351731E+01 Qxc -0.4300552E+01 3,-1 128 3 -1 -0.560996 0.720481 -3.220093 Rho 0.1451275E+00 |GRAD(Rho)| 0.3642163E-13 GRAD(Rho)x -0.3450637E-13 GRAD(Rho)y -0.1086974E-13 GRAD(Rho)z 0.4206467E-14 Laplacian 0.6035337E+00 (-1/4)Del**2(Rho)) -0.1508834E+00 Diamond 0.1174468E+01 Metallicity 0.4576089E+01 Ellipticity 0.1288795E-01 Gb(Abramov) 0.2156649E+00 Vb(Abramov) -0.2804464E+00 Hb(Abramov) -0.6478151E-01 Ex_ueg -0.5632717E-01 Ec_ueg -0.8132336E-02 Delta_ex -0.6428025E-01 Delta_ec 0.1541941E-01 Delta_et -0.2042609E+00 Pxc 0.6926321E+01 Qxc -0.4168787E+01 3,-1 129 3 -1 -0.560886 0.714914 3.214883 Rho 0.1423129E+00 |GRAD(Rho)| 0.3575267E-13 GRAD(Rho)x 0.3471989E-13 GRAD(Rho)y 0.6601775E-14 GRAD(Rho)z 0.5403576E-14 Laplacian 0.5949385E+00 (-1/4)Del**2(Rho)) -0.1487346E+00 Diamond 0.1130717E+01 Metallicity 0.4493120E+01 Ellipticity 0.1076035E-01 Gb(Abramov) 0.2105368E+00 Vb(Abramov) -0.2723391E+00 Hb(Abramov) -0.6180222E-01 Ex_ueg -0.5487535E-01 Ec_ueg -0.7953257E-02 Delta_ex -0.6306100E-01 Delta_ec 0.1527104E-01 Delta_et -0.2017133E+00 Pxc 0.6899733E+01 Qxc -0.4129450E+01 3,-1 130 3 -1 0.569975 3.262562 -0.683639 Rho 0.1336717E+00 |GRAD(Rho)| 0.1656184E-15 GRAD(Rho)x 0.1185575E-15 GRAD(Rho)y -0.3710004E-16 GRAD(Rho)z -0.1095315E-15 Laplacian 0.5522778E+00 (-1/4)Del**2(Rho)) -0.1380695E+00 Diamond 0.9649613E+00 Metallicity 0.4360349E+01 Ellipticity 0.1734049E-01 Gb(Abramov) 0.1923848E+00 Vb(Abramov) -0.2467001E+00 Hb(Abramov) -0.5431534E-01 Ex_ueg -0.5047824E-01 Ec_ueg -0.7406609E-02 Delta_ex -0.5755463E-01 Delta_ec 0.1421518E-01 Delta_et -0.1856320E+00 Pxc 0.6815298E+01 Qxc -0.4048815E+01 3,-1 131 3 -1 0.568407 3.251664 0.678303 Rho 0.1325694E+00 |GRAD(Rho)| 0.8361106E-13 GRAD(Rho)x 0.6272039E-13 GRAD(Rho)y -0.3720709E-13 GRAD(Rho)z 0.4089737E-13 Laplacian 0.5525617E+00 (-1/4)Del**2(Rho)) -0.1381404E+00 Diamond 0.9547384E+00 Metallicity 0.4298376E+01 Ellipticity 0.1696178E-01 Gb(Abramov) 0.1910569E+00 Vb(Abramov) -0.2439733E+00 Hb(Abramov) -0.5291645E-01 Ex_ueg -0.4992400E-01 Ec_ueg -0.7337224E-02 Delta_ex -0.5745502E-01 Delta_ec 0.1422664E-01 Delta_et -0.1854950E+00 Pxc 0.6804208E+01 Qxc -0.4038550E+01 3,-1 132 3 -1 0.072638 4.533923 0.005465 Rho 0.2250290E+00 |GRAD(Rho)| 0.4031966E-14 GRAD(Rho)x -0.6916939E-15 GRAD(Rho)y -0.3972083E-14 GRAD(Rho)z -0.2937934E-16 Laplacian 0.8057959E+00 (-1/4)Del**2(Rho)) -0.2014490E+00 Diamond 0.2653497E+01 Metallicity 0.7119544E+01 Ellipticity 0.5322670E-03 Gb(Abramov) 0.3733368E+00 Vb(Abramov) -0.5452246E+00 Hb(Abramov) -0.1718878E+00 Ex_ueg -0.1010888E+00 Ec_ueg -0.1341035E-01 Delta_ex -0.9583211E-01 Delta_ec 0.1830615E-01 Delta_et -0.2535589E+00 Pxc 0.7538116E+01 Qxc -0.5234968E+01 3,-1 133 3 -1 1.919973 -2.567468 -1.657053 Rho 0.2357845E+00 |GRAD(Rho)| 0.9135065E-14 GRAD(Rho)x -0.1613727E-14 GRAD(Rho)y 0.7100332E-14 GRAD(Rho)z -0.5516394E-14 Laplacian 0.9037676E+00 (-1/4)Del**2(Rho)) -0.2259419E+00 Diamond 0.3099335E+01 Metallicity 0.6861440E+01 Ellipticity 0.1210679E-01 Gb(Abramov) 0.4090091E+00 Vb(Abramov) -0.5920763E+00 Hb(Abramov) -0.1830672E+00 Ex_ueg -0.1075818E+00 Ec_ueg -0.1414820E-01 Delta_ex -0.1085285E+00 Delta_ec 0.1978183E-01 Delta_et -0.2725932E+00 Pxc 0.7603923E+01 Qxc -0.5486275E+01 3,-1 134 3 +1 1.722961 -2.802992 -0.003118 Rho 0.7395008E-02 |GRAD(Rho)| 0.5771766E-17 GRAD(Rho)x 0.1918257E-17 GRAD(Rho)y 0.1968809E-17 GRAD(Rho)z 0.5075172E-17 Laplacian 0.3348045E-01 (-1/4)Del**2(Rho)) -0.8370111E-02 Diamond 0.1111869E-02 Metallicity 0.5777230E+00 Ellipticity -0.1826926E+01 Gb(Abramov) 0.6386009E-02 Vb(Abramov) -0.4401906E-02 Hb(Abramov) 0.1984103E-02 Ex_ueg -0.1064069E-02 Ec_ueg -0.2513924E-03 Delta_ex -0.1683247E-02 Delta_ec 0.8472848E-03 Delta_et -0.5251191E-02 Pxc 0.4232703E+01 Qxc -0.1986636E+01 3,+1 135 3 -1 1.902233 -2.542692 1.652715 Rho 0.2256462E+00 |GRAD(Rho)| 0.9070544E-14 GRAD(Rho)x 0.8766859E-15 GRAD(Rho)y -0.8279293E-14 GRAD(Rho)z -0.3599931E-14 Laplacian 0.8576950E+00 (-1/4)Del**2(Rho)) -0.2144237E+00 Diamond 0.2794779E+01 Metallicity 0.6719346E+01 Ellipticity 0.1930735E-01 Gb(Abramov) 0.3830804E+00 Vb(Abramov) -0.5517370E+00 Hb(Abramov) -0.1686567E+00 Ex_ueg -0.1014587E+00 Ec_ueg -0.1345252E-01 Delta_ex -0.1018517E+00 Delta_ec 0.1906806E-01 Delta_et -0.2625269E+00 Pxc 0.7541980E+01 Qxc -0.5341480E+01 3,-1 136 3 +3 1.832660 0.033336 -2.522393 Rho 0.1144699E-01 |GRAD(Rho)| 0.7481808E-15 GRAD(Rho)x -0.4643671E-15 GRAD(Rho)y -0.8999274E-17 GRAD(Rho)z 0.5865635E-15 Laplacian 0.5175054E-01 (-1/4)Del**2(Rho)) -0.1293763E-01 Diamond 0.1006649E-02 Metallicity 0.7741955E+00 Ellipticity -0.4342468E+00 Gb(Abramov) 0.1029447E-01 Vb(Abramov) -0.7651298E-02 Hb(Abramov) 0.2643169E-02 Ex_ueg -0.1905345E-02 Ec_ueg -0.4341008E-03 Delta_ex -0.2223973E-02 Delta_ec 0.1568250E-03 Delta_et -0.1567762E-02 Pxc 0.4389176E+01 Qxc -0.1418124E+02 3,+3 137 3 +3 1.846743 -0.006319 2.536113 Rho 0.1148540E-01 |GRAD(Rho)| 0.2090677E-16 GRAD(Rho)x -0.1473717E-16 GRAD(Rho)y 0.8226789E-17 GRAD(Rho)z -0.1233809E-16 Laplacian 0.5173417E-01 (-1/4)Del**2(Rho)) -0.1293354E-01 Diamond 0.1034450E-02 Metallicity 0.7787764E+00 Ellipticity -0.4641382E+00 Gb(Abramov) 0.1030108E-01 Vb(Abramov) -0.7668626E-02 Hb(Abramov) 0.2632458E-02 Ex_ueg -0.1913874E-02 Ec_ueg -0.4358658E-03 Delta_ex -0.2232642E-02 Delta_ec 0.1695596E-03 Delta_et -0.1652342E-02 Pxc 0.4390971E+01 Qxc -0.1316730E+02 3,+3 138 3 -1 -3.208131 2.214108 -2.312549 Rho 0.2235604E+00 |GRAD(Rho)| 0.1275959E-11 GRAD(Rho)x 0.8647652E-12 GRAD(Rho)y -0.4994877E-12 GRAD(Rho)z 0.7942073E-12 Laplacian 0.8073419E+00 (-1/4)Del**2(Rho)) -0.2018355E+00 Diamond 0.2629482E+01 Metallicity 0.7028788E+01 Ellipticity 0.7881323E-02 Gb(Abramov) 0.3710001E+00 Vb(Abramov) -0.5401647E+00 Hb(Abramov) -0.1691646E+00 Ex_ueg -0.1002101E+00 Ec_ueg -0.1331010E-01 Delta_ex -0.9580518E-01 Delta_ec 0.1828948E-01 Delta_et -0.2528919E+00 Pxc 0.7528878E+01 Qxc -0.5238267E+01 3,-1 139 3 +1 -2.012472 2.917172 -0.007920 Rho 0.1236809E-01 |GRAD(Rho)| 0.2819860E-14 GRAD(Rho)x -0.1815905E-14 GRAD(Rho)y -0.6959173E-15 GRAD(Rho)z -0.2042008E-14 Laplacian 0.5809388E-01 (-1/4)Del**2(Rho)) -0.1452347E-01 Diamond 0.2074608E-02 Metallicity 0.7846103E+00 Ellipticity -0.1190020E+01 Gb(Abramov) 0.1158152E-01 Vb(Abramov) -0.8639578E-02 Hb(Abramov) 0.2941946E-02 Ex_ueg -0.2112461E-02 Ec_ueg -0.4765880E-03 Delta_ex -0.2780818E-02 Delta_ec 0.5797525E-03 Delta_et -0.4511129E-02 Pxc 0.4432468E+01 Qxc -0.4796562E+01 3,+1 140 3 -1 -3.204176 2.204813 2.296403 Rho 0.2343069E+00 |GRAD(Rho)| 0.1196045E-14 GRAD(Rho)x 0.8170005E-15 GRAD(Rho)y -0.6672180E-15 GRAD(Rho)z -0.5637851E-15 Laplacian 0.8607959E+00 (-1/4)Del**2(Rho)) -0.2151990E+00 Diamond 0.2953575E+01 Metallicity 0.7128880E+01 Ellipticity 0.7480878E-02 Gb(Abramov) 0.3991539E+00 Vb(Abramov) -0.5831089E+00 Hb(Abramov) -0.1839550E+00 Ex_ueg -0.1066838E+00 Ec_ueg -0.1404645E-01 Delta_ex -0.1033298E+00 Delta_ec 0.1911042E-01 Delta_et -0.2643033E+00 Pxc 0.7595070E+01 Qxc -0.5406989E+01 3,-1 141 3 -1 -2.991270 2.051061 -0.812730 Rho 0.1272947E+00 |GRAD(Rho)| 0.6762337E-13 GRAD(Rho)x 0.1211321E-13 GRAD(Rho)y -0.1008508E-13 GRAD(Rho)z -0.6576079E-13 Laplacian 0.4974199E+00 (-1/4)Del**2(Rho)) -0.1243550E+00 Diamond 0.8230553E+00 Metallicity 0.4462455E+01 Ellipticity 0.4391322E-01 Gb(Abramov) 0.1753914E+00 Vb(Abramov) -0.2264278E+00 Hb(Abramov) -0.5103641E-01 Ex_ueg -0.4729321E-01 Ec_ueg -0.7006311E-02 Delta_ex -0.5127196E-01 Delta_ec 0.1303256E-01 Delta_et -0.1690148E+00 Pxc 0.6750087E+01 Qxc -0.3934143E+01 3,-1 142 3 -1 -0.503441 2.393372 0.002349 Rho 0.3402531E-01 |GRAD(Rho)| 0.8359895E-14 GRAD(Rho)x 0.5367445E-14 GRAD(Rho)y -0.4463235E-14 GRAD(Rho)z 0.4599773E-14 Laplacian 0.1393072E+00 (-1/4)Del**2(Rho)) -0.3482681E-01 Diamond 0.4279793E-01 Metallicity 0.1767297E+01 Ellipticity 0.1213948E-01 Gb(Abramov) 0.3347609E-01 Vb(Abramov) -0.3212538E-01 Hb(Abramov) 0.1350718E-02 Ex_ueg -0.8143063E-02 Ec_ueg -0.1553045E-02 Delta_ex -0.1049049E-01 Delta_ec 0.4283995E-02 Delta_et -0.4074292E-01 Pxc 0.5243287E+01 Qxc -0.2448764E+01 3,-1 143 3 -1 1.689886 0.812854 1.546922 Rho 0.3001534E-01 |GRAD(Rho)| 0.1776625E-13 GRAD(Rho)x -0.1207129E-13 GRAD(Rho)y -0.1234723E-13 GRAD(Rho)z -0.4179672E-14 Laplacian 0.1123564E+00 (-1/4)Del**2(Rho)) -0.2808909E-01 Diamond 0.2709541E-01 Metallicity 0.1777956E+01 Ellipticity 0.5168348E-01 Gb(Abramov) 0.2704959E-01 Vb(Abramov) -0.2601008E-01 Hb(Abramov) 0.1039502E-02 Ex_ueg -0.6889316E-02 Ec_ueg -0.1344399E-02 Delta_ex -0.8036925E-02 Delta_ec 0.3151337E-02 Delta_et -0.2895843E-01 Pxc 0.5124460E+01 Qxc -0.2550322E+01 3,-1 144 3 -1 3.218864 2.362474 -2.250863 Rho 0.2266719E+00 |GRAD(Rho)| 0.3033101E-15 GRAD(Rho)x 0.1269601E-15 GRAD(Rho)y 0.2711048E-15 GRAD(Rho)z -0.4878910E-16 Laplacian 0.7979362E+00 (-1/4)Del**2(Rho)) -0.1994841E+00 Diamond 0.2661283E+01 Metallicity 0.7277369E+01 Ellipticity 0.7372251E-02 Gb(Abramov) 0.3749426E+00 Vb(Abramov) -0.5504011E+00 Hb(Abramov) -0.1754585E+00 Ex_ueg -0.1020740E+00 Ec_ueg -0.1352265E-01 Delta_ex -0.9513705E-01 Delta_ec 0.1819824E-01 Delta_et -0.2526036E+00 Pxc 0.7548377E+01 Qxc -0.5227818E+01 3,-1 145 3 -1 3.225615 2.341743 2.233822 Rho 0.2371681E+00 |GRAD(Rho)| 0.5666976E-14 GRAD(Rho)x 0.2478649E-14 GRAD(Rho)y 0.4862376E-14 GRAD(Rho)z 0.1525852E-14 Laplacian 0.8519986E+00 (-1/4)Del**2(Rho)) -0.2129997E+00 Diamond 0.2984095E+01 Metallicity 0.7349671E+01 Ellipticity 0.7509431E-02 Gb(Abramov) 0.4029127E+00 Vb(Abramov) -0.5928257E+00 Hb(Abramov) -0.1899130E+00 Ex_ueg -0.1084243E+00 Ec_ueg -0.1424357E-01 Delta_ex -0.1026937E+00 Delta_ec 0.1901848E-01 Delta_et -0.2638973E+00 Pxc 0.7612159E+01 Qxc -0.5399678E+01 3,-1 146 3 -1 -2.118022 -2.911645 1.693204 Rho 0.2315458E+00 |GRAD(Rho)| 0.1685850E-12 GRAD(Rho)x 0.1120225E-13 GRAD(Rho)y 0.1585736E-12 GRAD(Rho)z -0.5612351E-13 Laplacian 0.8915559E+00 (-1/4)Del**2(Rho)) -0.2228890E+00 Diamond 0.2981428E+01 Metallicity 0.6748273E+01 Ellipticity 0.1193102E-01 Gb(Abramov) 0.3992786E+00 Vb(Abramov) -0.5756682E+00 Hb(Abramov) -0.1763896E+00 Ex_ueg -0.1050108E+00 Ec_ueg -0.1385665E-01 Delta_ex -0.1065006E+00 Delta_ec 0.1951953E-01 Delta_et -0.2683819E+00 Pxc 0.7578370E+01 Qxc -0.5456103E+01 3,-1 147 3 -1 0.287518 -0.078056 0.518640 Rho 0.1973997E+00 |GRAD(Rho)| 0.3243146E-15 GRAD(Rho)x -0.1411326E-15 GRAD(Rho)y 0.1247064E-17 GRAD(Rho)z -0.2919931E-15 Laplacian 0.6598642E+00 (-1/4)Del**2(Rho)) -0.1649660E+00 Diamond 0.2065576E+01 Metallicity 0.6988803E+01 Ellipticity 0.2718374E-02 Gb(Abramov) 0.3021299E+00 Vb(Abramov) -0.4392937E+00 Hb(Abramov) -0.1371638E+00 Ex_ueg -0.8488815E-01 Ec_ueg -0.1154419E-01 Delta_ex -0.7732594E-01 Delta_ec 0.1812981E-01 Delta_et -0.2575736E+00 Pxc 0.7353321E+01 Qxc -0.4265128E+01 3,-1 148 3 -1 0.462998 -0.033645 2.357110 Rho 0.4748520E-01 |GRAD(Rho)| 0.1412769E-15 GRAD(Rho)x -0.7064255E-17 GRAD(Rho)y -0.5002471E-17 GRAD(Rho)z -0.1410115E-15 Laplacian 0.1881570E+00 (-1/4)Del**2(Rho)) -0.4703924E-01 Diamond 0.8869762E-01 Metallicity 0.2280465E+01 Ellipticity 0.1182874E-01 Gb(Abramov) 0.4923805E-01 Vb(Abramov) -0.5143686E-01 Hb(Abramov) -0.2198807E-02 Ex_ueg -0.1269978E-01 Ec_ueg -0.2276344E-02 Delta_ex -0.1527785E-01 Delta_ec 0.5590169E-02 Delta_et -0.5815068E-01 Pxc 0.5579024E+01 Qxc -0.2732985E+01 3,-1 149 3 -1 0.867492 -0.678848 3.491314 Rho 0.1492426E+00 |GRAD(Rho)| 0.4016063E-15 GRAD(Rho)x -0.1368263E-15 GRAD(Rho)y -0.3762453E-15 GRAD(Rho)z 0.3171291E-16 Laplacian 0.5958302E+00 (-1/4)Del**2(Rho)) -0.1489575E+00 Diamond 0.1197808E+01 Metallicity 0.4856373E+01 Ellipticity 0.5811007E-01 Gb(Abramov) 0.2198706E+00 Vb(Abramov) -0.2907836E+00 Hb(Abramov) -0.7091304E-01 Ex_ueg -0.5846673E-01 Ec_ueg -0.8395047E-02 Delta_ex -0.6388371E-01 Delta_ec 0.1509501E-01 Delta_et -0.2007073E+00 Pxc 0.6964431E+01 Qxc -0.4232108E+01 3,-1 150 3 -1 -0.055965 0.000262 -4.467212 Rho 0.2382360E+00 |GRAD(Rho)| 0.1606257E-14 GRAD(Rho)x -0.2991314E-15 GRAD(Rho)y -0.1794355E-16 GRAD(Rho)z -0.1578056E-14 Laplacian 0.8790313E+00 (-1/4)Del**2(Rho)) -0.2197578E+00 Diamond 0.3074487E+01 Metallicity 0.7177192E+01 Ellipticity 0.1157535E-02 Gb(Abramov) 0.4093793E+00 Vb(Abramov) -0.5990007E+00 Hb(Abramov) -0.1896214E+00 Ex_ueg -0.1090758E+00 Ec_ueg -0.1431726E-01 Delta_ex -0.1059633E+00 Delta_ec 0.1939463E-01 Delta_et -0.2682897E+00 Pxc 0.7618481E+01 Qxc -0.5463541E+01 3,-1 151 3 -1 0.459311 -0.043057 -2.350206 Rho 0.4715394E-01 |GRAD(Rho)| 0.5047478E-15 GRAD(Rho)x -0.3788630E-16 GRAD(Rho)y 0.4452895E-16 GRAD(Rho)z -0.5013503E-15 Laplacian 0.1865633E+00 (-1/4)Del**2(Rho)) -0.4664082E-01 Diamond 0.8705125E-01 Metallicity 0.2273266E+01 Ellipticity 0.1219046E-01 Gb(Abramov) 0.4876505E-01 Vb(Abramov) -0.5088927E-01 Hb(Abramov) -0.2124225E-02 Ex_ueg -0.1258179E-01 Ec_ueg -0.2258169E-02 Delta_ex -0.1511896E-01 Delta_ec 0.5537943E-02 Delta_et -0.5750018E-01 Pxc 0.5571678E+01 Qxc -0.2730068E+01 3,-1 152 3 -1 0.285954 -0.087320 -0.508856 Rho 0.1974898E+00 |GRAD(Rho)| 0.2026360E-11 GRAD(Rho)x -0.1309686E-11 GRAD(Rho)y 0.3770969E-13 GRAD(Rho)z 0.1545780E-11 Laplacian 0.6603608E+00 (-1/4)Del**2(Rho)) -0.1650902E+00 Diamond 0.2069111E+01 Metallicity 0.6988860E+01 Ellipticity 0.8581924E-02 Gb(Abramov) 0.3023588E+00 Vb(Abramov) -0.4396275E+00 Hb(Abramov) -0.1372687E+00 Ex_ueg -0.8493981E-01 Ec_ueg -0.1155021E-01 Delta_ex -0.7739872E-01 Delta_ec 0.1815180E-01 Delta_et -0.2579320E+00 Pxc 0.7353963E+01 Qxc -0.4263968E+01 3,-1 153 3 -1 -0.051742 0.011998 4.473249 Rho 0.2380934E+00 |GRAD(Rho)| 0.8138490E-15 GRAD(Rho)x 0.2755500E-15 GRAD(Rho)y -0.3964538E-17 GRAD(Rho)z -0.7657720E-15 Laplacian 0.8789599E+00 (-1/4)Del**2(Rho)) -0.2197400E+00 Diamond 0.3071051E+01 Metallicity 0.7170616E+01 Ellipticity 0.1186434E-02 Gb(Abramov) 0.4091052E+00 Vb(Abramov) -0.5984703E+00 Hb(Abramov) -0.1893652E+00 Ex_ueg -0.1089887E+00 Ec_ueg -0.1430742E-01 Delta_ex -0.1059329E+00 Delta_ec 0.1938716E-01 Delta_et -0.2681399E+00 Pxc 0.7617639E+01 Qxc -0.5464078E+01 3,-1 154 3 -1 0.833613 0.739295 -3.472739 Rho 0.1430674E+00 |GRAD(Rho)| 0.8559302E-13 GRAD(Rho)x -0.6160216E-13 GRAD(Rho)y -0.5788703E-13 GRAD(Rho)z -0.1343244E-13 Laplacian 0.5672365E+00 (-1/4)Del**2(Rho)) -0.1418091E+00 Diamond 0.1087913E+01 Metallicity 0.4754265E+01 Ellipticity 0.3937409E-01 Gb(Abramov) 0.2069058E+00 Vb(Abramov) -0.2720024E+00 Hb(Abramov) -0.6509665E-01 Ex_ueg -0.5526361E-01 Ec_ueg -0.8001214E-02 Delta_ex -0.6023398E-01 Delta_ec 0.1459751E-01 Delta_et -0.1930883E+00 Pxc 0.6906903E+01 Qxc -0.4126320E+01 3,-1 155 3 -1 0.839547 0.735458 3.466196 Rho 0.1421292E+00 |GRAD(Rho)| 0.2890888E-14 GRAD(Rho)x -0.2049034E-14 GRAD(Rho)y -0.1970687E-14 GRAD(Rho)z 0.5244913E-15 Laplacian 0.5645658E+00 (-1/4)Del**2(Rho)) -0.1411414E+00 Diamond 0.1073392E+01 Metallicity 0.4724662E+01 Ellipticity 0.3951001E-01 Gb(Abramov) 0.2052352E+00 Vb(Abramov) -0.2693290E+00 Hb(Abramov) -0.6409379E-01 Ex_ueg -0.5478093E-01 Ec_ueg -0.7941588E-02 Delta_ex -0.5984484E-01 Delta_ec 0.1453544E-01 Delta_et -0.1920444E+00 Pxc 0.6897982E+01 Qxc -0.4117166E+01 3,-1 156 3 -1 1.460902 -3.079872 -0.006863 Rho 0.7813930E-02 |GRAD(Rho)| 0.1922269E-14 GRAD(Rho)x -0.8840592E-15 GRAD(Rho)y -0.9932028E-15 GRAD(Rho)z -0.1388202E-14 Laplacian 0.3224783E-01 (-1/4)Del**2(Rho)) -0.8061957E-02 Diamond 0.1804253E-02 Metallicity 0.6574992E+00 Ellipticity 0.4841135E+00 Gb(Abramov) 0.6258093E-02 Vb(Abramov) -0.4454229E-02 Hb(Abramov) 0.1803864E-02 Ex_ueg -0.1145191E-02 Ec_ueg -0.2699476E-03 Delta_ex -0.1974055E-02 Delta_ec 0.1410782E-02 Delta_et -0.8608145E-02 Pxc 0.4242270E+01 Qxc -0.1399263E+01 3,-1 157 3 -1 2.963520 -0.832247 1.979039 Rho 0.7585548E-01 |GRAD(Rho)| 0.4386344E-16 GRAD(Rho)x 0.4094811E-16 GRAD(Rho)y 0.1270549E-17 GRAD(Rho)z -0.1567286E-16 Laplacian 0.3089832E+00 (-1/4)Del**2(Rho)) -0.7724580E-01 Diamond 0.2726591E+00 Metallicity 0.3031493E+01 Ellipticity 0.1806629E-02 Gb(Abramov) 0.9052555E-01 Vb(Abramov) -0.1038053E+00 Hb(Abramov) -0.1327975E-01 Ex_ueg -0.2371561E-01 Ec_ueg -0.3887412E-02 Delta_ex -0.2820820E-01 Delta_ec 0.9027255E-02 Delta_et -0.1056093E+00 Pxc 0.6100617E+01 Qxc -0.3124781E+01 3,-1 158 3 +3 -2.392791 -0.051158 -0.015942 Rho 0.4865509E-02 |GRAD(Rho)| 0.6294225E-17 GRAD(Rho)x 0.4324851E-17 GRAD(Rho)y -0.1387173E-18 GRAD(Rho)z -0.4570961E-17 Laplacian 0.2035140E-01 (-1/4)Del**2(Rho)) -0.5087851E-02 Diamond 0.2073622E-03 Metallicity 0.4730415E+00 Ellipticity -0.6666524E+00 Gb(Abramov) 0.3793028E-02 Vb(Abramov) -0.2498205E-02 Hb(Abramov) 0.1294823E-02 Ex_ueg -0.6089141E-03 Ec_ueg -0.1411297E-03 Delta_ex -0.7656691E-03 Delta_ec 0.2107721E-03 Delta_et -0.1309719E-02 Pxc 0.4314572E+01 Qxc -0.3632688E+01 3,+3 159 3 -1 2.791969 -1.711952 -0.853359 Rho 0.1456910E+00 |GRAD(Rho)| 0.3199879E-13 GRAD(Rho)x 0.1888862E-13 GRAD(Rho)y -0.1407998E-13 GRAD(Rho)z -0.2165401E-13 Laplacian 0.5929182E+00 (-1/4)Del**2(Rho)) -0.1482295E+00 Diamond 0.1167950E+01 Metallicity 0.4688200E+01 Ellipticity 0.9175364E-02 Gb(Abramov) 0.2146413E+00 Vb(Abramov) -0.2810531E+00 Hb(Abramov) -0.6641178E-01 Ex_ueg -0.5661896E-01 Ec_ueg -0.8168247E-02 Delta_ex -0.6330026E-01 Delta_ec 0.1529565E-01 Delta_et -0.2030930E+00 Pxc 0.6931593E+01 Qxc -0.4138447E+01 3,-1 160 3 -1 2.786877 -1.720333 0.867915 Rho 0.1282143E+00 |GRAD(Rho)| 0.9256221E-14 GRAD(Rho)x 0.4473811E-14 GRAD(Rho)y -0.4202766E-14 GRAD(Rho)z 0.6928160E-14 Laplacian 0.5191118E+00 (-1/4)Del**2(Rho)) -0.1297779E+00 Diamond 0.8694695E+00 Metallicity 0.4327592E+01 Ellipticity 0.8710422E-02 Gb(Abramov) 0.1801230E+00 Vb(Abramov) -0.2304680E+00 Hb(Abramov) -0.5034501E-01 Ex_ueg -0.4774929E-01 Ec_ueg -0.7063869E-02 Delta_ex -0.5363832E-01 Delta_ec 0.1364464E-01 Delta_et -0.1772842E+00 Pxc 0.6759651E+01 Qxc -0.3931091E+01 3,-1 161 3 -1 -2.990291 2.049835 0.793469 Rho 0.1412008E+00 |GRAD(Rho)| 0.2581817E-12 GRAD(Rho)x 0.8581171E-13 GRAD(Rho)y -0.4871486E-13 GRAD(Rho)z 0.2385812E-12 Laplacian 0.5565462E+00 (-1/4)Del**2(Rho)) -0.1391366E+00 Diamond 0.1055087E+01 Metallicity 0.4740678E+01 Ellipticity 0.3873862E-01 Gb(Abramov) 0.2026913E+00 Vb(Abramov) -0.2662461E+00 Hb(Abramov) -0.6355475E-01 Ex_ueg -0.5430434E-01 Ec_ueg -0.7882639E-02 Delta_ex -0.5895712E-01 Delta_ec 0.1445294E-01 Delta_et -0.1909809E+00 Pxc 0.6889107E+01 Qxc -0.4079247E+01 3,-1 162 3 -1 3.002364 0.883955 -2.003310 Rho 0.1723396E+00 |GRAD(Rho)| 0.2583307E-15 GRAD(Rho)x -0.1523982E-15 GRAD(Rho)y 0.2079500E-15 GRAD(Rho)z 0.1632063E-16 Laplacian 0.6732743E+00 (-1/4)Del**2(Rho)) -0.1683186E+00 Diamond 0.1588973E+01 Metallicity 0.5462563E+01 Ellipticity 0.5611470E-01 Gb(Abramov) 0.2654542E+00 Vb(Abramov) -0.3625898E+00 Hb(Abramov) -0.9713561E-01 Ex_ueg -0.7083240E-01 Ec_ueg -0.9888595E-02 Delta_ex -0.7464658E-01 Delta_ec 0.1615167E-01 Delta_et -0.2178712E+00 Pxc 0.7163040E+01 Qxc -0.4621603E+01 3,-1 163 3 -1 -1.980689 2.694532 -1.514087 Rho 0.1095937E+00 |GRAD(Rho)| 0.9014306E-13 GRAD(Rho)x -0.2353269E-13 GRAD(Rho)y -0.8561686E-13 GRAD(Rho)z -0.1554790E-13 Laplacian 0.4346149E+00 (-1/4)Del**2(Rho)) -0.1086537E+00 Diamond 0.5978116E+00 Metallicity 0.3979404E+01 Ellipticity 0.2297968E-01 Gb(Abramov) 0.1444987E+00 Vb(Abramov) -0.1803436E+00 Hb(Abramov) -0.3584494E-01 Ex_ueg -0.3873462E-01 Ec_ueg -0.5909783E-02 Delta_ex -0.4318489E-01 Delta_ec 0.1171567E-01 Delta_et -0.1479002E+00 Pxc 0.6554322E+01 Qxc -0.3686078E+01 3,-1 164 3 -1 1.992139 1.557326 -2.700343 Rho 0.1278722E+00 |GRAD(Rho)| 0.7765742E-16 GRAD(Rho)x 0.1301043E-17 GRAD(Rho)y 0.5927198E-16 GRAD(Rho)z 0.5015790E-16 Laplacian 0.5024573E+00 (-1/4)Del**2(Rho)) -0.1256143E+00 Diamond 0.8347236E+00 Metallicity 0.4451172E+01 Ellipticity 0.3627073E-01 Gb(Abramov) 0.1769314E+00 Vb(Abramov) -0.2282484E+00 Hb(Abramov) -0.5131705E-01 Ex_ueg -0.4757952E-01 Ec_ueg -0.7042453E-02 Delta_ex -0.5183289E-01 Delta_ec 0.1312390E-01 Delta_et -0.1702770E+00 Pxc 0.6756100E+01 Qxc -0.3949504E+01 3,-1 165 3 -1 1.992199 1.540662 2.686646 Rho 0.1365644E+00 |GRAD(Rho)| 0.1124788E-15 GRAD(Rho)x 0.6511989E-16 GRAD(Rho)y 0.8043425E-16 GRAD(Rho)z 0.4405927E-16 Laplacian 0.5402126E+00 (-1/4)Del**2(Rho)) -0.1350531E+00 Diamond 0.9827008E+00 Metallicity 0.4619670E+01 Ellipticity 0.2494469E-01 Gb(Abramov) 0.1940189E+00 Vb(Abramov) -0.2529847E+00 Hb(Abramov) -0.5896578E-01 Ex_ueg -0.5193997E-01 Ec_ueg -0.7589071E-02 Delta_ex -0.5675164E-01 Delta_ec 0.1411929E-01 Delta_et -0.1855696E+00 Pxc 0.6844049E+01 Qxc -0.4019440E+01 3,-1 166 3 -1 3.244295 -2.322233 2.215976 Rho 0.2196860E+00 |GRAD(Rho)| 0.3872430E-15 GRAD(Rho)x 0.3576241E-15 GRAD(Rho)y -0.1064958E-15 GRAD(Rho)z 0.1035413E-15 Laplacian 0.7940127E+00 (-1/4)Del**2(Rho)) -0.1985032E+00 Diamond 0.2538749E+01 Metallicity 0.6941549E+01 Ellipticity 0.1579910E-01 Gb(Abramov) 0.3619887E+00 Vb(Abramov) -0.5254742E+00 Hb(Abramov) -0.1634855E+00 Ex_ueg -0.9790126E-01 Ec_ueg -0.1304618E-01 Delta_ex -0.9383732E-01 Delta_ec 0.1814688E-01 Delta_et -0.2509449E+00 Pxc 0.7504208E+01 Qxc -0.5170990E+01 3,-1 167 3 -1 3.271665 -2.285846 -2.208948 Rho 0.2304460E+00 |GRAD(Rho)| 0.1996751E-12 GRAD(Rho)x -0.1563182E-12 GRAD(Rho)y 0.9132772E-13 GRAD(Rho)z 0.8422603E-13 Laplacian 0.8408087E+00 (-1/4)Del**2(Rho)) -0.2102022E+00 Diamond 0.2840098E+01 Metallicity 0.7099011E+01 Ellipticity 0.1671722E-01 Gb(Abramov) 0.3888394E+00 Vb(Abramov) -0.5674766E+00 Hb(Abramov) -0.1786372E+00 Ex_ueg -0.1043463E+00 Ec_ueg -0.1378117E-01 Delta_ex -0.1005636E+00 Delta_ec 0.1888009E-01 Delta_et -0.2614516E+00 Pxc 0.7571660E+01 Qxc -0.5326436E+01 3,-1 168 3 -1 0.870240 -0.673043 -3.476052 Rho 0.1469993E+00 |GRAD(Rho)| 0.2695500E-15 GRAD(Rho)x 0.1982464E-15 GRAD(Rho)y 0.1738654E-15 GRAD(Rho)z 0.5591434E-16 Laplacian 0.5894965E+00 (-1/4)Del**2(Rho)) -0.1473741E+00 Diamond 0.1163514E+01 Metallicity 0.4786201E+01 Ellipticity 0.5640686E-01 Gb(Abramov) 0.2158098E+00 Vb(Abramov) -0.2842454E+00 Hb(Abramov) -0.6843564E-01 Ex_ueg -0.5729792E-01 Ec_ueg -0.8251706E-02 Delta_ex -0.6296798E-01 Delta_ec 0.1498707E-01 Delta_et -0.1988400E+00 Pxc 0.6943767E+01 Qxc -0.4201488E+01 3,-1 169 3 -1 2.839371 1.750927 0.868927 Rho 0.1439927E+00 |GRAD(Rho)| 0.1072222E-15 GRAD(Rho)x 0.6926019E-16 GRAD(Rho)y -0.3924664E-16 GRAD(Rho)z -0.7182839E-16 Laplacian 0.6005855E+00 (-1/4)Del**2(Rho)) -0.1501464E+00 Diamond 0.1161336E+01 Metallicity 0.4538777E+01 Ellipticity 0.1841910E-01 Gb(Abramov) 0.2136778E+00 Vb(Abramov) -0.2772091E+00 Hb(Abramov) -0.6353137E-01 Ex_ueg -0.5574067E-01 Ec_ueg -0.8060073E-02 Delta_ex -0.6388110E-01 Delta_ec 0.1544086E-01 Delta_et -0.2044582E+00 Pxc 0.6915653E+01 Qxc -0.4137146E+01 3,-1 170 3 -1 -0.470602 -0.577770 0.007163 Rho 0.2032149E+00 |GRAD(Rho)| 0.6353207E-12 GRAD(Rho)x 0.3951997E-12 GRAD(Rho)y 0.4974379E-12 GRAD(Rho)z -0.2248474E-14 Laplacian 0.7248150E+00 (-1/4)Del**2(Rho)) -0.1812038E+00 Diamond 0.2312552E+01 Metallicity 0.6677981E+01 Ellipticity 0.3712750E-01 Gb(Abramov) 0.3224817E+00 Vb(Abramov) -0.4637597E+00 Hb(Abramov) -0.1412779E+00 Ex_ueg -0.8823869E-01 Ec_ueg -0.1193345E-01 Delta_ex -0.8530580E-01 Delta_ec 0.1933059E-01 Delta_et -0.2743438E+00 Pxc 0.7394235E+01 Qxc -0.4412995E+01 3,-1 171 3 -1 2.836317 1.764653 -0.891395 Rho 0.1272310E+00 |GRAD(Rho)| 0.6935326E-16 GRAD(Rho)x -0.5223144E-16 GRAD(Rho)y -0.4395434E-16 GRAD(Rho)z -0.1223793E-16 Laplacian 0.5306631E+00 (-1/4)Del**2(Rho)) -0.1326658E+00 Diamond 0.8737707E+00 Metallicity 0.4179417E+01 Ellipticity 0.1742767E-01 Gb(Abramov) 0.1808548E+00 Vb(Abramov) -0.2290438E+00 Hb(Abramov) -0.4818900E-01 Ex_ueg -0.4726165E-01 Ec_ueg -0.7002325E-02 Delta_ex -0.5464527E-01 Delta_ec 0.1382187E-01 Delta_et -0.1790849E+00 Pxc 0.6749422E+01 Qxc -0.3953537E+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 73 148 129 126 155 149 153 147 170 152 127 151 100 128 168 154 150 142 131 130 77 76 132 98 160 135 157 111 166 107 171 88 162 164 144 123 119 122 141 163 138 65 62 68 57 146 117 64 59 63 55 54 56 124 120 121 161 70 140 143 169 89 90 165 145 93 159 133 115 109 167 156 72 73 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 21 21 28 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 36 37 2.390873 1.934553 1.917856 1.943768 1.924827 1.746296 1.569974 1.554910 1.569744 1.570422 2.393892 1.918910 1.927456 1.930117 1.941633 1.746080 2.508191 1.939195 1.936781 1.926127 1.913830 1.741469 2.517575 1.952800 1.740540 2.177784 1.993786 1.750966 2.641622 1.953923 1.957731 1.844910 1.962340 1.739049 2.475177 1.813761 1.951355 1.965690 2.027830 1.743975 2.372266 2.185858 1.961136 1.953021 1.756267 1.759847 2.368023 2.219974 1.961233 1.943417 1.753319 1.759756 2.435668 1.824570 1.944423 1.947716 2.005907 1.752548 2.592478 1.928925 1.957720 1.845128 1.959454 1.748236 2.492410 1.925962 1.750112 2.175435 1.984347 1.759164 2.992205 3.246134 3.216062 2.392260 1.934996 1.918307 1.944369 1.925436 1.746302 1.570030 1.555006 1.569785 1.570445 2.395283 1.919338 1.927940 1.930689 1.942175 1.746086 2.509289 1.939775 1.937391 1.926804 1.914487 1.741486 2.518699 1.953360 1.740616 2.178549 1.994567 1.751013 2.642423 1.954500 1.958448 1.845483 1.963038 1.739063 2.476162 1.814207 1.951832 1.966404 2.028584 1.743990 2.373913 2.186234 1.961571 1.953637 1.756282 1.759869 2.369706 2.220445 1.961657 1.944007 1.753328 1.759777 2.436706 1.824949 1.944745 1.948210 2.006476 1.752564 2.593478 1.929357 1.958171 1.845506 1.959975 1.748244 2.493503 1.926410 1.750137 2.175942 1.984916 1.759196 3.001851 3.248102 3.218077 27 23 26 28 26 21 22 21 21 21 27 27 23 23 23 21 29 23 23 26 28 23 29 23 21 28 25 23 29 23 23 22 24 23 29 22 23 25 24 21 27 26 27 25 23 22 27 26 25 23 21 22 27 22 23 23 29 25 29 23 23 23 23 23 29 23 21 25 26 22 33 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 W P W Mo Mo Mo Mo W W 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 2.4400 2.3088 2.4404 2.2845 2.1943 2.2630 2.2768 2.3625 2.3604 2.4091 2.4150 2.3250 -1.0421 -0.9955 -1.0430 -1.0374 -0.9277 -0.9665 -0.8679 -0.9409 -0.7726 -0.9342 -0.9807 -0.9671 -0.9386 -0.9816 -0.9137 -0.6948 -0.9433 -1.0093 -0.9028 -0.9557 -0.9803 -0.9905 -0.9448 -0.8066 -0.8099 -0.9233 -0.9631 -0.9474 -0.8155 -0.8513 -0.8139 -0.7615 -0.7774 -0.7555 -0.7630 -0.8497 -0.8475 -0.8358 -0.8276 2.0997 2.5173 2.0963 1.9585 1.9984 1.9715 1.9503 2.1353 2.1369 2.1018 2.0959 2.1338 1.8974 1.8992 1.8971 1.8946 1.9416 1.9347 1.9527 1.9337 1.9659 1.9349 1.9298 1.9309 1.9343 1.9294 1.9371 1.9805 1.9446 1.9379 1.9501 1.9425 1.9385 1.9399 1.9433 1.9567 1.9557 1.9434 1.9408 1.9400 1.9616 1.9558 1.9617 1.9689 1.9666 1.9712 1.9687 1.9548 1.9553 1.9587 1.9601 6.1044 7.3546 6.1028 6.0927 6.1172 6.0975 6.0986 6.1050 6.1017 6.1064 6.1042 6.1198 5.1061 5.0581 5.1074 5.1037 4.9558 5.0039 4.8871 4.9795 4.7714 4.9727 5.0218 5.0065 4.9763 5.0230 4.9517 4.6810 4.9700 5.0394 4.9254 4.9837 5.0103 5.0196 4.9737 4.8168 4.8215 4.9540 4.9932 4.9778 4.8197 4.8631 4.8179 4.7613 4.7809 4.7526 4.7634 4.8628 4.8600 4.8440 4.8336 3.3259 0.8193 3.3306 3.6643 3.6901 3.6681 3.6743 3.3685 3.3725 3.3529 3.3556 3.3931 0.0386 0.0381 0.0385 0.0390 0.0302 0.0279 0.0281 0.0276 0.0353 0.0266 0.0291 0.0298 0.0280 0.0292 0.0249 0.0333 0.0287 0.0320 0.0273 0.0295 0.0314 0.0311 0.0278 0.0331 0.0327 0.0259 0.0291 0.0295 0.0342 0.0323 0.0343 0.0313 0.0299 0.0318 0.0309 0.0321 0.0322 0.0332 0.0340 14.0299 0.0000 14.0299 0.0000 0.0000 0.0000 0.0000 14.0287 14.0285 14.0298 14.0293 14.0284 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 W P W Mo Mo Mo Mo W W 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 2.518305 2.008424 2.517657 3.178680 3.138960 3.167979 3.168040 2.493714 2.490764 2.497445 2.496515 2.466400 -1.055986 -0.981660 -1.046322 -1.095276 -0.953957 -1.100162 -1.088635 -1.087878 -0.835788 -1.094772 -0.971279 -0.975611 -1.087013 -0.973609 -1.206561 -0.985581 -1.034977 -0.975921 -1.097345 -1.081958 -0.970496 -0.969702 -1.093645 -0.859001 -0.863595 -1.189908 -1.076433 -1.079321 -0.853898 -0.900085 -0.852014 -1.037122 -1.057550 -1.030556 -1.040198 -0.897145 -0.893620 -0.879403 -0.868904 1.942902 1.589304 1.947671 2.364443 2.343231 2.359487 2.356648 1.946417 1.954322 1.932324 1.941228 1.940031 -0.777234 -0.709410 -0.767640 -0.827509 -0.739207 -0.828478 -0.844619 -0.833484 -0.724477 -0.829014 -0.712851 -0.725715 -0.826591 -0.716951 -0.930757 -0.775319 -0.882399 -0.788886 -0.897279 -0.882150 -0.791835 -0.790325 -0.897520 -0.764579 -0.767855 -0.978347 -0.883475 -0.874341 -0.762092 -0.810563 -0.757389 -0.825797 -0.858658 -0.817274 -0.827072 -0.821290 -0.814838 -0.782368 -0.772418 2.047823 1.561169 2.052461 2.460573 2.429476 2.454789 2.445132 2.045172 2.050207 2.036990 2.049187 2.023704 -0.829927 -0.763540 -0.827362 -0.872843 -0.805099 -0.916565 -0.893473 -0.925321 -0.733011 -0.915060 -0.811687 -0.802898 -0.899135 -0.816624 -1.013112 -0.783281 -0.906544 -0.835549 -0.915215 -0.934656 -0.826833 -0.845286 -0.936863 -0.751081 -0.752295 -1.016789 -0.936771 -0.906744 -0.722954 -0.781332 -0.718790 -0.787177 -0.831314 -0.779502 -0.783659 -0.804321 -0.798332 -0.739592 -0.736146 2.48246414 2.62399475 -0.75506927 3.69027184 -20.35344696 -5.08864965 3.07407996 16.50917752 -5.60079174 3.84426945 -360.2359 402.1487 -50.5925 -385.2321 -58.4999 -452.4117 Apr28-2024 16:00:47 Nodes: 1 Procs: 1 Apr28-2024 16:00:47 Nodes: 1 Procs: 1 0 Apr28-2024 16:00:48 Nodes: 1 Procs: 1 Apr28-2024 16:00:49 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr28-2024 16:00:49 Nodes: 1 Procs: 1 Apr28-2024 16:00:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr28-2024 16:00:50 Nodes: 1 Procs: 1 Apr28-2024 16:00:51 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr28-2024 16:00:53 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -15.95677774 -16.39889044 -16.22477669 -16.51424134 -16.59036561 -16.60667552 -16.61129425 -16.61870704 -16.62136226 -16.62345647 -16.62442859 -16.62523189 -16.62554230 -16.62567611 -16.62572318 -16.62577796 -16.62581032 -16.62582353 -16.62582544 GEOMETRY CONVERGED