ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 21:00:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.02 0.40 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 21:00:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.04 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 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 0 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 Apr29-2024 21:00:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 21:00:57 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 0 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 Apr29-2024 21:00:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr29-2024 21:00:57 Nodes: 1 Procs: 1 Apr29-2024 21:00:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 21:00:58 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 0 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 Apr29-2024 21:00:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr29-2024 21:00:57 Nodes: 1 Procs: 1 Apr29-2024 21:00:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr29-2024 21:00:58 Nodes: 1 Procs: 1 Apr29-2024 21:00:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 21:00:58 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.03 1.43 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 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 0 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 Apr29-2024 21:00:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr29-2024 21:00:57 Nodes: 1 Procs: 1 Apr29-2024 21:00:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr29-2024 21:00:58 Nodes: 1 Procs: 1 Apr29-2024 21:00:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr29-2024 21:00:58 Nodes: 1 Procs: 1 Apr29-2024 21:00:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 21:01:01 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2325.590361000001 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0.191229 -3.762335 3.700090 -0.195332 -3.872241 -3.662749 0.248661 -3.825968 0.298498 -3.635293 -3.745662 -0.188779 3.812518 3.725557 0.170103 3.767769 -0.545279 -3.365683 -1.254194 1 3 -3 0.070434 -2.570760 2.557427 Rho 0.4361414E+07 3,-3 2 3 -3 2.411531 -2.631335 -0.008222 Rho 0.4361415E+07 3,-3 3 3 -3 2.604387 2.524716 -0.143355 Rho 0.4361415E+07 3,-3 4 3 -3 -2.555786 2.462506 0.065768 Rho 0.4361414E+07 3,-3 5 3 -3 -2.469671 -0.260714 -2.671042 Rho 0.4361414E+07 3,-3 6 3 -3 2.532037 -0.136489 2.537549 Rho 0.4361415E+07 3,-3 7 3 -3 2.475444 -0.043118 -2.635582 Rho 0.4361415E+07 3,-3 8 3 -3 -0.070593 -0.041566 -0.057099 Rho 0.2439544E+04 3,-3 9 3 -3 0.100905 2.516168 -2.536491 Rho 0.1240649E+06 3,-3 10 3 -3 -0.052338 2.586866 2.511759 Rho 0.1240650E+06 3,-3 11 3 -3 -2.612265 -2.524168 -0.086881 Rho 0.1240650E+06 3,-3 12 3 -3 -2.524469 0.134125 2.628103 Rho 0.1240650E+06 3,-3 13 3 -3 0.817681 -0.971348 0.849210 Rho 0.3187816E+03 3,-3 14 3 -3 -1.014618 -0.887353 -0.939271 Rho 0.3187869E+03 3,-3 15 3 -3 0.890175 0.826773 -0.945933 Rho 0.3187927E+03 3,-3 16 3 -3 -0.889164 0.911866 0.883816 Rho 0.3187843E+03 3,-3 17 3 -3 -3.002734 -1.156443 1.187489 Rho 0.3190172E+03 3,-3 18 3 -3 2.984999 -1.192450 -1.165872 Rho 0.3188140E+03 3,-3 19 3 -3 -3.015557 1.147240 -1.111951 Rho 0.3190097E+03 3,-3 20 3 -3 2.993612 1.204635 1.213589 Rho 0.3188480E+03 3,-3 21 3 -3 1.327786 -1.150813 -3.348830 Rho 0.3193445E+03 3,-3 22 3 -3 1.121538 1.153520 3.015565 Rho 0.3189504E+03 3,-3 23 3 -3 -1.163115 1.164712 -3.015788 Rho 0.3189130E+03 3,-3 24 3 -3 -1.182954 -1.174392 3.078402 Rho 0.3189419E+03 3,-3 25 3 -3 -1.150733 3.032479 -1.122587 Rho 0.3189318E+03 3,-3 26 3 -3 -1.203984 -3.043294 1.254064 Rho 0.3189386E+03 3,-3 27 3 -3 1.174782 3.063513 1.177960 Rho 0.3189852E+03 3,-3 28 3 -3 1.159180 -3.255147 -1.095943 Rho 0.3192124E+03 3,-3 29 3 -3 3.325803 -1.468965 1.512361 Rho 0.3190008E+03 3,-3 30 3 -3 -3.425633 -1.565004 -1.537889 Rho 0.3189855E+03 3,-3 31 3 -3 3.416248 1.526687 -1.451388 Rho 0.3190427E+03 3,-3 32 3 -3 -3.404485 1.481476 1.549116 Rho 0.3190103E+03 3,-3 33 3 -3 1.439330 -1.464303 3.422891 Rho 0.3189300E+03 3,-3 34 3 -3 1.540829 1.555008 -3.367962 Rho 0.3190026E+03 3,-3 35 3 -3 -1.505884 1.499610 3.439917 Rho 0.3190915E+03 3,-3 36 3 -3 -1.741422 -1.448717 -3.734714 Rho 0.3192980E+03 3,-3 37 3 -3 -1.526804 -3.595220 -1.275684 Rho 0.3188047E+03 3,-3 38 3 -3 -1.518734 3.357833 1.543360 Rho 0.3190333E+03 3,-3 39 3 -3 1.501489 -3.396873 1.586029 Rho 0.3189259E+03 3,-3 40 3 -3 1.484670 3.404582 -1.441569 Rho 0.3189909E+03 3,-3 41 3 -3 -0.210726 -3.756531 3.800412 Rho 0.3193046E+03 3,-3 42 3 -3 3.859951 -0.153675 -3.706843 Rho 0.3192490E+03 3,-3 43 3 -3 -0.198899 3.745522 -3.717048 Rho 0.3194478E+03 3,-3 44 3 -3 0.227566 3.768813 3.749744 Rho 0.3194257E+03 3,-3 45 3 -3 3.727707 -3.770671 -0.187646 Rho 0.3192622E+03 3,-3 46 3 -3 3.786914 3.759920 0.191229 Rho 0.3192961E+03 3,-3 47 3 -3 -3.762335 3.700090 -0.195332 Rho 0.3192783E+03 3,-3 48 3 -3 -3.872241 -3.662749 0.248661 Rho 0.3194444E+03 3,-3 49 3 -3 -3.825968 0.298498 -3.635293 Rho 0.3192510E+03 3,-3 50 3 -3 -3.745662 -0.188779 3.812518 Rho 0.3194396E+03 3,-3 51 3 -3 3.725557 0.170103 3.767769 Rho 0.3192978E+03 3,-3 52 3 -3 -0.545279 -3.365683 -1.254194 Rho 0.4277088E+00 3,-3 53 3 +1 -1.709165 0.543059 -0.519589 Rho 0.9976850E-02 |GRAD(Rho)| 0.5459662E-17 GRAD(Rho)x -0.5718742E-18 GRAD(Rho)y -0.4426249E-17 GRAD(Rho)z -0.3144708E-17 Laplacian 0.4217311E-01 (-1/4)Del**2(Rho)) -0.1054328E-01 Diamond 0.1451196E-02 Metallicity 0.7554980E+00 Ellipticity -0.1472101E+01 Gb(Abramov) 0.8356422E-02 Vb(Abramov) -0.6169567E-02 Hb(Abramov) 0.2186855E-02 Ex_ueg -0.1586267E-02 Ec_ueg -0.3669978E-03 Delta_ex -0.2026489E-02 Delta_ec 0.6390543E-03 Delta_et -0.4501856E-02 Pxc 0.4322279E+01 Qxc -0.3171075E+01 3,+1 54 3 +1 -2.108358 1.046067 1.341312 Rho 0.2358669E-01 |GRAD(Rho)| 0.3041128E-14 GRAD(Rho)x -0.2854719E-14 GRAD(Rho)y 0.4966892E-15 GRAD(Rho)z 0.9232212E-15 Laplacian 0.9136675E-01 (-1/4)Del**2(Rho)) -0.2284169E-01 Diamond 0.1103641E-01 Metallicity 0.1463086E+01 Ellipticity -0.3468780E+01 Gb(Abramov) 0.2079768E-01 Vb(Abramov) -0.1875368E-01 Hb(Abramov) 0.2044003E-02 Ex_ueg -0.4995830E-02 Ec_ueg -0.1017823E-02 Delta_ex -0.5595793E-02 Delta_ec 0.1551764E-02 Delta_et -0.1350288E-01 Pxc 0.4908350E+01 Qxc -0.3606085E+01 3,+1 55 3 +1 -2.027728 2.005363 2.066469 Rho 0.1233081E-01 |GRAD(Rho)| 0.1432001E-16 GRAD(Rho)x -0.1015644E-16 GRAD(Rho)y -0.6423420E-17 GRAD(Rho)z 0.7787752E-17 Laplacian 0.5789598E-01 (-1/4)Del**2(Rho)) -0.1447400E-01 Diamond 0.2055736E-02 Metallicity 0.7833412E+00 Ellipticity -0.1188907E+01 Gb(Abramov) 0.1153901E-01 Vb(Abramov) -0.8604025E-02 Hb(Abramov) 0.2934986E-02 Ex_ueg -0.2103976E-02 Ec_ueg -0.4748620E-03 Delta_ex -0.2768160E-02 Delta_ec 0.5761761E-03 Delta_et -0.4481896E-02 Pxc 0.4430710E+01 Qxc -0.4804365E+01 3,+1 56 3 -1 -2.970280 0.843525 2.043854 Rho 0.1362170E+00 |GRAD(Rho)| 0.1156984E-14 GRAD(Rho)x 0.2283533E-15 GRAD(Rho)y -0.5823656E-15 GRAD(Rho)z 0.9733018E-15 Laplacian 0.5387320E+00 (-1/4)Del**2(Rho)) -0.1346830E+00 Diamond 0.9624388E+00 Metallicity 0.4612741E+01 Ellipticity 0.5328145E-01 Gb(Abramov) 0.1933316E+00 Vb(Abramov) -0.2519802E+00 Hb(Abramov) -0.5864863E-01 Ex_ueg -0.5176386E-01 Ec_ueg -0.7567127E-02 Delta_ex -0.5639608E-01 Delta_ec 0.1379450E-01 Delta_et -0.1806430E+00 Pxc 0.6840622E+01 Qxc -0.4088303E+01 3,-1 57 3 -1 -2.788543 1.751242 -0.565918 Rho 0.1901789E+00 |GRAD(Rho)| 0.6882703E-15 GRAD(Rho)x -0.1467468E-15 GRAD(Rho)y -0.3373495E-15 GRAD(Rho)z -0.5817016E-15 Laplacian 0.7802622E+00 (-1/4)Del**2(Rho)) -0.1950655E+00 Diamond 0.2075320E+01 Metallicity 0.5554478E+01 Ellipticity 0.1670284E-01 Gb(Abramov) 0.3106249E+00 Vb(Abramov) -0.4261843E+00 Hb(Abramov) -0.1155594E+00 Ex_ueg -0.8077338E-01 Ec_ueg -0.1106349E-01 Delta_ex -0.8870856E-01 Delta_ec 0.1826668E-01 Delta_et -0.2488845E+00 Pxc 0.7300894E+01 Qxc -0.4856303E+01 3,-1 58 3 +1 0.119080 2.983834 -0.079197 Rho 0.5266713E-02 |GRAD(Rho)| 0.1183700E-15 GRAD(Rho)x 0.8698295E-16 GRAD(Rho)y 0.8311700E-17 GRAD(Rho)z -0.7985202E-16 Laplacian 0.2161698E-01 (-1/4)Del**2(Rho)) -0.5404245E-02 Diamond 0.5639908E-03 Metallicity 0.5082190E+00 Ellipticity -0.4158622E+01 Gb(Abramov) 0.4060586E-02 Vb(Abramov) -0.2716928E-02 Hb(Abramov) 0.1343658E-02 Ex_ueg -0.6767650E-03 Ec_ueg -0.1584085E-03 Delta_ex -0.1105920E-02 Delta_ec 0.7168969E-03 Delta_et -0.3940014E-02 Pxc 0.4272276E+01 Qxc -0.1542648E+01 3,+1 59 3 -1 -2.987917 1.933486 0.854940 Rho 0.1332476E+00 |GRAD(Rho)| 0.7489563E-15 GRAD(Rho)x -0.4596407E-15 GRAD(Rho)y -0.3296517E-15 GRAD(Rho)z 0.4909132E-15 Laplacian 0.5242158E+00 (-1/4)Del**2(Rho)) -0.1310540E+00 Diamond 0.9301181E+00 Metallicity 0.4569500E+01 Ellipticity 0.2689107E-01 Gb(Abramov) 0.1871778E+00 Vb(Abramov) -0.2433017E+00 Hb(Abramov) -0.5612386E-01 Ex_ueg -0.5026484E-01 Ec_ueg -0.7379906E-02 Delta_ex -0.5479431E-01 Delta_ec 0.1387145E-01 Delta_et -0.1817763E+00 Pxc 0.6811040E+01 Qxc -0.3950151E+01 3,-1 60 3 +1 -2.188085 -1.335741 -1.087674 Rho 0.2675558E-01 |GRAD(Rho)| 0.1545628E-13 GRAD(Rho)x -0.8314644E-14 GRAD(Rho)y -0.1132220E-13 GRAD(Rho)z 0.6447555E-14 Laplacian 0.1098398E+00 (-1/4)Del**2(Rho)) -0.2745995E-01 Diamond 0.1637560E-01 Metallicity 0.1501564E+01 Ellipticity -0.4077975E+01 Gb(Abramov) 0.2517878E-01 Vb(Abramov) -0.2289761E-01 Hb(Abramov) 0.2281170E-02 Ex_ueg -0.5910227E-02 Ec_ueg -0.1177505E-02 Delta_ex -0.7016453E-02 Delta_ec 0.1970618E-02 Delta_et -0.1766511E-01 Pxc 0.5019281E+01 Qxc -0.3560533E+01 3,+1 61 3 -1 -2.013004 -3.071675 -0.702901 Rho 0.1406993E+00 |GRAD(Rho)| 0.1585723E-14 GRAD(Rho)x -0.1055715E-14 GRAD(Rho)y 0.6537468E-15 GRAD(Rho)z 0.9862038E-15 Laplacian 0.5232785E+00 (-1/4)Del**2(Rho)) -0.1308196E+00 Diamond 0.9938847E+00 Metallicity 0.5012260E+01 Ellipticity 0.1234722E+00 Gb(Abramov) 0.1964968E+00 Vb(Abramov) -0.2621739E+00 Hb(Abramov) -0.6567713E-01 Ex_ueg -0.5404735E-01 Ec_ueg -0.7850821E-02 Delta_ex -0.5545111E-01 Delta_ec 0.1371886E-01 Delta_et -0.1814289E+00 Pxc 0.6884293E+01 Qxc -0.4041963E+01 3,-1 62 3 +1 -0.248314 -0.974294 -2.600052 Rho 0.3290239E-02 |GRAD(Rho)| 0.1131752E-15 GRAD(Rho)x -0.4167084E-16 GRAD(Rho)y 0.1027919E-15 GRAD(Rho)z -0.2249447E-16 Laplacian 0.1309506E-01 (-1/4)Del**2(Rho)) -0.3273766E-02 Diamond 0.1291200E-03 Metallicity 0.3830169E+00 Ellipticity -0.1340372E+01 Gb(Abramov) 0.2391495E-02 Vb(Abramov) -0.1509224E-02 Hb(Abramov) 0.8822707E-03 Ex_ueg -0.3614278E-03 Ec_ueg -0.7409351E-04 Delta_ex -0.5291339E-03 Delta_ec 0.2820325E-03 Delta_et -0.1404097E-02 Pxc 0.4877996E+01 Qxc -0.1876146E+01 3,+1 63 3 -1 -1.706442 -0.554220 -1.764377 Rho 0.5145386E-01 |GRAD(Rho)| 0.1603254E-13 GRAD(Rho)x -0.2121997E-14 GRAD(Rho)y -0.5078250E-14 GRAD(Rho)z -0.1505825E-13 Laplacian 0.2073829E+00 (-1/4)Del**2(Rho)) -0.5184572E-01 Diamond 0.1115522E+00 Metallicity 0.2365213E+01 Ellipticity 0.1102728E-01 Gb(Abramov) 0.5500151E-01 Vb(Abramov) -0.5815730E-01 Hb(Abramov) -0.3155786E-02 Ex_ueg -0.1413435E-01 Ec_ueg -0.2495394E-02 Delta_ex -0.1728718E-01 Delta_ec 0.6344278E-02 Delta_et -0.6745205E-01 Pxc 0.5664173E+01 Qxc -0.2724846E+01 3,-1 64 3 +1 -1.714385 -0.503662 0.569643 Rho 0.8963318E-02 |GRAD(Rho)| 0.9325255E-17 GRAD(Rho)x -0.7173514E-17 GRAD(Rho)y -0.5920767E-17 GRAD(Rho)z -0.6675381E-18 Laplacian 0.3735967E-01 (-1/4)Del**2(Rho)) -0.9339917E-02 Diamond 0.1168830E-02 Metallicity 0.7133864E+00 Ellipticity -0.1503452E+01 Gb(Abramov) 0.7337106E-02 Vb(Abramov) -0.5334296E-02 Hb(Abramov) 0.2002811E-02 Ex_ueg -0.1375129E-02 Ec_ueg -0.3212651E-03 Delta_ex -0.1772078E-02 Delta_ec 0.6102281E-03 Delta_et -0.4147668E-02 Pxc 0.4280356E+01 Qxc -0.2903960E+01 3,+1 65 3 +3 -1.131435 -1.111955 1.151501 Rho 0.4819726E-02 |GRAD(Rho)| 0.4519967E-12 GRAD(Rho)x 0.1534585E-13 GRAD(Rho)y 0.4514708E-12 GRAD(Rho)z -0.1547929E-13 Laplacian 0.1978360E-01 (-1/4)Del**2(Rho)) -0.4945901E-02 Diamond 0.1452382E-03 Metallicity 0.4790105E+00 Ellipticity -0.2972440E+00 Gb(Abramov) 0.3692124E-02 Vb(Abramov) -0.2438346E-02 Hb(Abramov) 0.1253777E-02 Ex_ueg -0.6012866E-03 Ec_ueg -0.1391631E-03 Delta_ex -0.6900992E-03 Delta_ec 0.1112761E-03 Delta_et -0.8053738E-03 Pxc 0.4320732E+01 Qxc -0.6201682E+01 3,+3 66 3 +1 -0.214840 -0.383508 -3.175051 Rho 0.3468596E-02 |GRAD(Rho)| 0.7545807E-17 GRAD(Rho)x -0.4942234E-17 GRAD(Rho)y -0.5699443E-17 GRAD(Rho)z 0.1728402E-18 Laplacian 0.1374842E-01 (-1/4)Del**2(Rho)) -0.3437106E-02 Diamond 0.1703872E-03 Metallicity 0.3983668E+00 Ellipticity -0.1600635E+01 Gb(Abramov) 0.2519609E-02 Vb(Abramov) -0.1602112E-02 Hb(Abramov) 0.9174972E-03 Ex_ueg -0.3877842E-03 Ec_ueg -0.8161750E-04 Delta_ex -0.5992018E-03 Delta_ec 0.3632100E-03 Delta_et -0.1795525E-02 Pxc 0.4751238E+01 Qxc -0.1649739E+01 3,+1 67 3 +1 -0.591170 -0.540894 1.701411 Rho 0.7852933E-02 |GRAD(Rho)| 0.5206260E-17 GRAD(Rho)x 0.4711221E-17 GRAD(Rho)y 0.1433372E-18 GRAD(Rho)z 0.2211107E-17 Laplacian 0.3241752E-01 (-1/4)Del**2(Rho)) -0.8104381E-02 Diamond 0.8147528E-03 Metallicity 0.6595076E+00 Ellipticity -0.1413074E+01 Gb(Abramov) 0.6293737E-02 Vb(Abramov) -0.4483094E-02 Hb(Abramov) 0.1810644E-02 Ex_ueg -0.1152818E-02 Ec_ueg -0.2716792E-03 Delta_ex -0.1471941E-02 Delta_ec 0.4999515E-03 Delta_et -0.3301486E-02 Pxc 0.4243307E+01 Qxc -0.2944167E+01 3,+1 68 3 -1 -1.812452 -0.559320 2.845405 Rho 0.1358385E+00 |GRAD(Rho)| 0.2940491E-15 GRAD(Rho)x -0.2494072E-15 GRAD(Rho)y 0.1495250E-15 GRAD(Rho)z 0.4362558E-16 Laplacian 0.5714760E+00 (-1/4)Del**2(Rho)) -0.1428690E+00 Diamond 0.1015207E+01 Metallicity 0.4328327E+01 Ellipticity 0.2397879E-01 Gb(Abramov) 0.1983099E+00 Vb(Abramov) -0.2537509E+00 Hb(Abramov) -0.5544095E-01 Ex_ueg -0.5157219E-01 Ec_ueg -0.7543234E-02 Delta_ex -0.5975694E-01 Delta_ec 0.1459571E-01 Delta_et -0.1909591E+00 Pxc 0.6836881E+01 Qxc -0.4094145E+01 3,-1 69 3 +1 0.578648 1.701806 0.481027 Rho 0.7433799E-02 |GRAD(Rho)| 0.8962046E-17 GRAD(Rho)x 0.6137629E-18 GRAD(Rho)y 0.5050172E-17 GRAD(Rho)z 0.7378165E-17 Laplacian 0.3038206E-01 (-1/4)Del**2(Rho)) -0.7595515E-02 Diamond 0.7140620E-03 Metallicity 0.6422153E+00 Ellipticity -0.1411794E+01 Gb(Abramov) 0.5876669E-02 Vb(Abramov) -0.4157823E-02 Hb(Abramov) 0.1718846E-02 Ex_ueg -0.1071518E-02 Ec_ueg -0.2531071E-03 Delta_ex -0.1363925E-02 Delta_ec 0.4737538E-03 Delta_et -0.3079363E-02 Pxc 0.4233456E+01 Qxc -0.2878974E+01 3,+1 70 3 +1 -0.096672 2.964178 0.136738 Rho 0.5277532E-02 |GRAD(Rho)| 0.2402193E-17 GRAD(Rho)x 0.1896498E-18 GRAD(Rho)y -0.4832800E-18 GRAD(Rho)z 0.2345423E-17 Laplacian 0.2169922E-01 (-1/4)Del**2(Rho)) -0.5424805E-02 Diamond 0.5823762E-03 Metallicity 0.5080275E+00 Ellipticity -0.6643715E+01 Gb(Abramov) 0.4075861E-02 Vb(Abramov) -0.2726918E-02 Hb(Abramov) 0.1348943E-02 Ex_ueg -0.6786194E-03 Ec_ueg -0.1588756E-03 Delta_ex -0.1123243E-02 Delta_ec 0.7422640E-03 Delta_et -0.4073318E-02 Pxc 0.4271387E+01 Qxc -0.1513266E+01 3,+1 71 3 +1 -2.896801 -0.240336 -0.213829 Rho 0.5257115E-02 |GRAD(Rho)| 0.6248915E-17 GRAD(Rho)x 0.1294385E-17 GRAD(Rho)y -0.5443431E-17 GRAD(Rho)z 0.2782546E-17 Laplacian 0.2185607E-01 (-1/4)Del**2(Rho)) -0.5464016E-02 Diamond 0.4501760E-03 Metallicity 0.5011338E+00 Ellipticity -0.1666179E+01 Gb(Abramov) 0.4099045E-02 Vb(Abramov) -0.2734073E-02 Hb(Abramov) 0.1364972E-02 Ex_ueg -0.6751212E-03 Ec_ueg -0.1579942E-03 Delta_ex -0.1014708E-02 Delta_ec 0.5408319E-03 Delta_et -0.3040958E-02 Pxc 0.4273074E+01 Qxc -0.1876199E+01 3,+1 72 3 +1 -0.569143 0.527171 -1.705379 Rho 0.9151366E-02 |GRAD(Rho)| 0.1018945E-12 GRAD(Rho)x -0.3074569E-13 GRAD(Rho)y -0.8960999E-13 GRAD(Rho)z 0.3751332E-13 Laplacian 0.3885374E-01 (-1/4)Del**2(Rho)) -0.9713436E-02 Diamond 0.1215189E-02 Metallicity 0.7101065E+00 Ellipticity -0.1455406E+01 Gb(Abramov) 0.7625220E-02 Vb(Abramov) -0.5537003E-02 Hb(Abramov) 0.2088216E-02 Ex_ueg -0.1413729E-02 Ec_ueg -0.3297167E-03 Delta_ex -0.1837835E-02 Delta_ec 0.6085491E-03 Delta_et -0.4177041E-02 Pxc 0.4287709E+01 Qxc -0.3020027E+01 3,+1 73 3 +3 -2.374199 0.011446 0.060124 Rho 0.4803400E-02 |GRAD(Rho)| 0.1893367E-17 GRAD(Rho)x -0.7681960E-18 GRAD(Rho)y 0.1025836E-17 GRAD(Rho)z 0.1393691E-17 Laplacian 0.2012076E-01 (-1/4)Del**2(Rho)) -0.5030191E-02 Diamond 0.2033326E-03 Metallicity 0.4683279E+00 Ellipticity -0.3954156E+00 Gb(Abramov) 0.3746090E-02 Vb(Abramov) -0.2461990E-02 Hb(Abramov) 0.1284100E-02 Ex_ueg -0.5985725E-03 Ec_ueg -0.1384621E-03 Delta_ex -0.7563660E-03 Delta_ec 0.2116419E-03 Delta_et -0.1306937E-02 Pxc 0.4323005E+01 Qxc -0.3573802E+01 3,+3 74 3 +1 -0.159219 0.119904 2.974108 Rho 0.5237086E-02 |GRAD(Rho)| 0.1457987E-12 GRAD(Rho)x -0.1017780E-12 GRAD(Rho)y 0.9861183E-13 GRAD(Rho)z 0.3426682E-13 Laplacian 0.2170241E-01 (-1/4)Del**2(Rho)) -0.5425603E-02 Diamond 0.5516262E-03 Metallicity 0.5014812E+00 Ellipticity -0.3406152E+01 Gb(Abramov) 0.4070542E-02 Vb(Abramov) -0.2715480E-02 Hb(Abramov) 0.1355061E-02 Ex_ueg -0.6716938E-03 Ec_ueg -0.1571298E-03 Delta_ex -0.1100091E-02 Delta_ec 0.7036519E-03 Delta_et -0.3866785E-02 Pxc 0.4274770E+01 Qxc -0.1563402E+01 3,+1 75 3 +1 0.035895 -3.071850 0.139977 Rho 0.5082109E-02 |GRAD(Rho)| 0.8621250E-17 GRAD(Rho)x -0.6247715E-17 GRAD(Rho)y 0.1788934E-17 GRAD(Rho)z 0.5664956E-17 Laplacian 0.2064740E-01 (-1/4)Del**2(Rho)) -0.5161850E-02 Diamond 0.4831925E-03 Metallicity 0.5013655E+00 Ellipticity -0.2662947E+01 Gb(Abramov) 0.3872562E-02 Vb(Abramov) -0.2583274E-02 Hb(Abramov) 0.1289288E-02 Ex_ueg -0.6453228E-03 Ec_ueg -0.1504480E-03 Delta_ex -0.1021656E-02 Delta_ec 0.6356255E-03 Delta_et -0.3474774E-02 Pxc 0.4289341E+01 Qxc -0.1607324E+01 3,+1 76 3 -1 0.432390 -1.737043 1.669374 Rho 0.4064723E-01 |GRAD(Rho)| 0.1411936E-13 GRAD(Rho)x 0.3635030E-15 GRAD(Rho)y -0.9822892E-14 GRAD(Rho)z 0.1013583E-13 Laplacian 0.1594964E+00 (-1/4)Del**2(Rho)) -0.3987410E-01 Diamond 0.6034045E-01 Metallicity 0.2076095E+01 Ellipticity 0.1271592E-01 Gb(Abramov) 0.4037980E-01 Vb(Abramov) -0.4088551E-01 Hb(Abramov) -0.5057021E-03 Ex_ueg -0.1032190E-01 Ec_ueg -0.1904816E-02 Delta_ex -0.1242823E-01 Delta_ec 0.4691146E-02 Delta_et -0.4681530E-01 Pxc 0.5418845E+01 Qxc -0.2649295E+01 3,-1 77 3 +1 0.275502 -1.914203 -0.737108 Rho 0.5883551E-02 |GRAD(Rho)| 0.1563574E-15 GRAD(Rho)x 0.4714247E-16 GRAD(Rho)y 0.7627701E-16 GRAD(Rho)z 0.1280900E-15 Laplacian 0.2396496E-01 (-1/4)Del**2(Rho)) -0.5991241E-02 Diamond 0.6261657E-03 Metallicity 0.5513604E+00 Ellipticity -0.2239190E+01 Gb(Abramov) 0.4544716E-02 Vb(Abramov) -0.3098191E-02 Hb(Abramov) 0.1446525E-02 Ex_ueg -0.7844605E-03 Ec_ueg -0.1851315E-03 Delta_ex -0.1178092E-02 Delta_ec 0.6619816E-03 Delta_et -0.3811512E-02 Pxc 0.4237314E+01 Qxc -0.1779645E+01 3,+1 78 3 -1 0.020459 -3.335532 -1.194116 Rho 0.4191691E-01 |GRAD(Rho)| 0.4646335E-16 GRAD(Rho)x 0.4533966E-16 GRAD(Rho)y -0.4858632E-17 GRAD(Rho)z 0.8919180E-17 Laplacian 0.1192640E+00 (-1/4)Del**2(Rho)) -0.2981601E-01 Diamond 0.7717431E-01 Metallicity 0.2922486E+01 Ellipticity 0.8290569E-02 Gb(Abramov) 0.3440015E-01 Vb(Abramov) -0.3898429E-01 Hb(Abramov) -0.4584142E-02 Ex_ueg -0.1075402E-01 Ec_ueg -0.1973201E-02 Delta_ex -0.1100736E-01 Delta_ec 0.6439890E-02 Delta_et -0.6523552E-01 Pxc 0.5450037E+01 Qxc -0.1709246E+01 3,-1 79 3 -1 -0.081107 -3.211828 3.229354 Rho 0.2417661E+00 |GRAD(Rho)| 0.7870287E-13 GRAD(Rho)x 0.1300355E-13 GRAD(Rho)y 0.5343566E-13 GRAD(Rho)z -0.5629991E-13 Laplacian 0.8802342E+00 (-1/4)Del**2(Rho)) -0.2200586E+00 Diamond 0.3139512E+01 Metallicity 0.7345263E+01 Ellipticity 0.2252178E-02 Gb(Abramov) 0.4161037E+00 Vb(Abramov) -0.6121489E+00 Hb(Abramov) -0.1960452E+00 Ex_ueg -0.1112361E+00 Ec_ueg -0.1456129E-01 Delta_ex -0.1065477E+00 Delta_ec 0.1939133E-01 Delta_et -0.2686176E+00 Pxc 0.7639166E+01 Qxc -0.5494605E+01 3,-1 80 3 -1 -0.203384 -1.278925 -3.510729 Rho 0.5907104E-02 |GRAD(Rho)| 0.8565635E-17 GRAD(Rho)x 0.8532977E-17 GRAD(Rho)y 0.3726945E-19 GRAD(Rho)z -0.7463419E-18 Laplacian 0.2361920E-01 (-1/4)Del**2(Rho)) -0.5904800E-02 Diamond 0.1050590E-02 Metallicity 0.5631694E+00 Ellipticity 0.1245971E+00 Gb(Abramov) 0.4490767E-02 Vb(Abramov) -0.3076734E-02 Hb(Abramov) 0.1414033E-02 Ex_ueg -0.7886505E-03 Ec_ueg -0.1861557E-03 Delta_ex -0.1481846E-02 Delta_ec 0.1223393E-02 Delta_et -0.6794920E-02 Pxc 0.4236511E+01 Qxc -0.1211259E+01 3,-1 81 3 +3 -0.025048 -0.031303 2.308694 Rho 0.4277802E-02 |GRAD(Rho)| 0.3296245E-17 GRAD(Rho)x 0.9990936E-19 GRAD(Rho)y 0.3223210E-17 GRAD(Rho)z -0.6827654E-18 Laplacian 0.1770588E-01 (-1/4)Del**2(Rho)) -0.4426470E-02 Diamond 0.1371295E-03 Metallicity 0.4387294E+00 Ellipticity -0.3278321E+00 Gb(Abramov) 0.3274650E-02 Vb(Abramov) -0.2122831E-02 Hb(Abramov) 0.1151819E-02 Ex_ueg -0.5128763E-03 Ec_ueg -0.1159673E-03 Delta_ex -0.6285080E-03 Delta_ec 0.1540111E-03 Delta_et -0.9635374E-03 Pxc 0.4422594E+01 Qxc -0.4080926E+01 3,+3 82 3 +1 0.533327 0.472547 1.671807 Rho 0.8027092E-02 |GRAD(Rho)| 0.1227280E-14 GRAD(Rho)x -0.9286112E-15 GRAD(Rho)y 0.7815859E-15 GRAD(Rho)z -0.1817168E-15 Laplacian 0.3328465E-01 (-1/4)Del**2(Rho)) -0.8321162E-02 Diamond 0.8607389E-03 Metallicity 0.6662434E+00 Ellipticity -0.1416300E+01 Gb(Abramov) 0.6471428E-02 Vb(Abramov) -0.4621694E-02 Hb(Abramov) 0.1849734E-02 Ex_ueg -0.1187033E-02 Ec_ueg -0.2794200E-03 Delta_ex -0.1518968E-02 Delta_ec 0.5123252E-03 Delta_et -0.3403622E-02 Pxc 0.4248203E+01 Qxc -0.2964850E+01 3,+1 83 3 -1 0.286924 -0.418330 0.309189 Rho 0.1959193E+00 |GRAD(Rho)| 0.3195773E-15 GRAD(Rho)x 0.1910038E-15 GRAD(Rho)y -0.2168174E-15 GRAD(Rho)z 0.1365190E-15 Laplacian 0.6485852E+00 (-1/4)Del**2(Rho)) -0.1621463E+00 Diamond 0.2018606E+01 Metallicity 0.7021690E+01 Ellipticity 0.5460336E-02 Gb(Abramov) 0.2978544E+00 Vb(Abramov) -0.4335625E+00 Hb(Abramov) -0.1357081E+00 Ex_ueg -0.8404041E-01 Ec_ueg -0.1144540E-01 Delta_ex -0.7590898E-01 Delta_ec 0.1793617E-01 Delta_et -0.2548064E+00 Pxc 0.7342722E+01 Qxc -0.4232173E+01 3,-1 84 3 +3 0.698651 -1.458426 -1.577770 Rho 0.2849336E-02 |GRAD(Rho)| 0.1079969E-14 GRAD(Rho)x -0.1061832E-14 GRAD(Rho)y -0.9627482E-16 GRAD(Rho)z -0.1719834E-15 Laplacian 0.1131223E-01 (-1/4)Del**2(Rho)) -0.2828058E-02 Diamond 0.6141415E-04 Metallicity 0.3488491E+00 Ellipticity -0.9183606E+00 Gb(Abramov) 0.2049800E-02 Vb(Abramov) -0.1271541E-02 Hb(Abramov) 0.7782585E-03 Ex_ueg -0.2983389E-03 Ec_ueg -0.5556847E-04 Delta_ex -0.3839120E-03 Delta_ec 0.1365152E-03 Delta_et -0.7167439E-03 Pxc 0.5368853E+01 Qxc -0.2812229E+01 3,+3 85 3 +3 -0.149834 -0.438997 -2.593994 Rho 0.3068690E-02 |GRAD(Rho)| 0.3052507E-17 GRAD(Rho)x 0.9243479E-18 GRAD(Rho)y -0.5461774E-18 GRAD(Rho)z 0.2857459E-17 Laplacian 0.1224400E-01 (-1/4)Del**2(Rho)) -0.3061001E-02 Diamond 0.8900658E-04 Metallicity 0.3647076E+00 Ellipticity -0.7813686E+00 Gb(Abramov) 0.2226729E-02 Vb(Abramov) -0.1392457E-02 Hb(Abramov) 0.8342720E-03 Ex_ueg -0.3293486E-03 Ec_ueg -0.6477160E-04 Delta_ex -0.4504819E-03 Delta_ec 0.1971782E-03 Delta_et -0.1002314E-02 Pxc 0.5084769E+01 Qxc -0.2284644E+01 3,+3 86 3 -1 0.832658 -2.993454 2.027649 Rho 0.1520509E+00 |GRAD(Rho)| 0.3994783E-13 GRAD(Rho)x 0.5476956E-14 GRAD(Rho)y 0.2826552E-13 GRAD(Rho)z 0.2769283E-13 Laplacian 0.6068681E+00 (-1/4)Del**2(Rho)) -0.1517170E+00 Diamond 0.1247194E+01 Metallicity 0.4918515E+01 Ellipticity 0.5431457E-01 Gb(Abramov) 0.2255151E+00 Vb(Abramov) -0.2993132E+00 Hb(Abramov) -0.7379808E-01 Ex_ueg -0.5993823E-01 Ec_ueg -0.8574933E-02 Delta_ex -0.6536218E-01 Delta_ec 0.1529594E-01 Delta_et -0.2038840E+00 Pxc 0.6989935E+01 Qxc -0.4273171E+01 3,-1 87 3 +1 1.194735 -2.167764 1.116600 Rho 0.2534186E-01 |GRAD(Rho)| 0.2015098E-16 GRAD(Rho)x -0.1688160E-16 GRAD(Rho)y -0.9547321E-17 GRAD(Rho)z 0.5470114E-17 Laplacian 0.1008989E+00 (-1/4)Del**2(Rho)) -0.2522471E-01 Diamond 0.1429069E-01 Metallicity 0.1493222E+01 Ellipticity -0.5266720E+01 Gb(Abramov) 0.2309416E-01 Vb(Abramov) -0.2096360E-01 Hb(Abramov) 0.2130556E-02 Ex_ueg -0.5497556E-02 Ec_ueg -0.1105942E-02 Delta_ex -0.6388321E-02 Delta_ec 0.1873119E-02 Delta_et -0.1655356E-01 Pxc 0.4970928E+01 Qxc -0.3410527E+01 3,+1 88 3 -1 1.650441 0.381916 -1.757497 Rho 0.3900293E-01 |GRAD(Rho)| 0.5314157E-16 GRAD(Rho)x 0.1370203E-16 GRAD(Rho)y -0.4621698E-16 GRAD(Rho)z -0.2236675E-16 Laplacian 0.1491261E+00 (-1/4)Del**2(Rho)) -0.3728152E-01 Diamond 0.5389676E-01 Metallicity 0.2072788E+01 Ellipticity 0.2867470E-01 Gb(Abramov) 0.3773380E-01 Vb(Abramov) -0.3818608E-01 Hb(Abramov) -0.4522775E-03 Ex_ueg -0.9768955E-02 Ec_ueg -0.1816685E-02 Delta_ex -0.1153524E-01 Delta_ec 0.4447390E-02 Delta_et -0.4389878E-01 Pxc 0.5377351E+01 Qxc -0.2593710E+01 3,-1 89 3 +3 2.343138 -0.022927 0.044788 Rho 0.3942667E-02 |GRAD(Rho)| 0.7731805E-17 GRAD(Rho)x 0.2923761E-18 GRAD(Rho)y -0.7276128E-17 GRAD(Rho)z -0.2598709E-17 Laplacian 0.1649665E-01 (-1/4)Del**2(Rho)) -0.4124162E-02 Diamond 0.1300404E-03 Metallicity 0.4110244E+00 Ellipticity -0.2176324E+00 Gb(Abramov) 0.3031963E-02 Vb(Abramov) -0.1939765E-02 Hb(Abramov) 0.1092199E-02 Ex_ueg -0.4600148E-03 Ec_ueg -0.1016991E-03 Delta_ex -0.5934789E-03 Delta_ec 0.1791252E-03 Delta_et -0.1045922E-02 Pxc 0.4523292E+01 Qxc -0.3313208E+01 3,+3 90 3 +1 1.661268 0.498736 0.552462 Rho 0.7365849E-02 |GRAD(Rho)| 0.5350755E-17 GRAD(Rho)x 0.2463246E-17 GRAD(Rho)y -0.4275734E-17 GRAD(Rho)z 0.2069083E-17 Laplacian 0.3003573E-01 (-1/4)Del**2(Rho)) -0.7508933E-02 Diamond 0.7078485E-03 Metallicity 0.6397539E+00 Ellipticity -0.1426489E+01 Gb(Abramov) 0.5806601E-02 Vb(Abramov) -0.4104268E-02 Hb(Abramov) 0.1702333E-02 Ex_ueg -0.1058479E-02 Ec_ueg -0.2501039E-03 Delta_ex -0.1351263E-02 Delta_ec 0.4789123E-03 Delta_et -0.3097226E-02 Pxc 0.4232157E+01 Qxc -0.2821525E+01 3,+1 91 3 -1 1.973266 0.805368 -3.004179 Rho 0.1266300E+00 |GRAD(Rho)| 0.1530057E-15 GRAD(Rho)x 0.8576039E-16 GRAD(Rho)y 0.1109545E-15 GRAD(Rho)z -0.6119644E-16 Laplacian 0.4916233E+00 (-1/4)Del**2(Rho)) -0.1229058E+00 Diamond 0.8258800E+00 Metallicity 0.4475844E+01 Ellipticity 0.2232308E-01 Gb(Abramov) 0.1736218E+00 Vb(Abramov) -0.2243377E+00 Hb(Abramov) -0.5071593E-01 Ex_ueg -0.4696422E-01 Ec_ueg -0.6964741E-02 Delta_ex -0.5082936E-01 Delta_ec 0.1328726E-01 Delta_et -0.1728741E+00 Pxc 0.6743139E+01 Qxc -0.3825422E+01 3,-1 92 3 +3 1.089205 1.096253 1.059442 Rho 0.4417155E-02 |GRAD(Rho)| 0.5259388E-16 GRAD(Rho)x -0.3080657E-16 GRAD(Rho)y -0.2285628E-16 GRAD(Rho)z -0.3598141E-16 Laplacian 0.1802946E-01 (-1/4)Del**2(Rho)) -0.4507364E-02 Diamond 0.1207679E-03 Metallicity 0.4545011E+00 Ellipticity -0.2090678E+00 Gb(Abramov) 0.3346343E-02 Vb(Abramov) -0.2185322E-02 Hb(Abramov) 0.1161021E-02 Ex_ueg -0.5352729E-03 Ec_ueg -0.1219175E-03 Delta_ex -0.6178068E-03 Delta_ec 0.1077809E-03 Delta_et -0.7520753E-03 Pxc 0.4390452E+01 Qxc -0.5732063E+01 3,+3 93 3 -1 1.777990 0.548733 2.774195 Rho 0.1300467E+00 |GRAD(Rho)| 0.3017990E-15 GRAD(Rho)x -0.1346444E-15 GRAD(Rho)y 0.2624447E-15 GRAD(Rho)z 0.6384596E-16 Laplacian 0.5419960E+00 (-1/4)Del**2(Rho)) -0.1354990E+00 Diamond 0.9256193E+00 Metallicity 0.4244070E+01 Ellipticity 0.1645555E-01 Gb(Abramov) 0.1861772E+00 Vb(Abramov) -0.2368554E+00 Hb(Abramov) -0.5067820E-01 Ex_ueg -0.4866134E-01 Ec_ueg -0.7178729E-02 Delta_ex -0.5622135E-01 Delta_ec 0.1424547E-01 Delta_et -0.1856076E+00 Pxc 0.6778545E+01 Qxc -0.3946611E+01 3,-1 94 3 -1 2.761168 0.577164 1.829484 Rho 0.1393125E+00 |GRAD(Rho)| 0.3222092E-15 GRAD(Rho)x 0.5803192E-16 GRAD(Rho)y -0.1830946E-16 GRAD(Rho)z 0.3164109E-15 Laplacian 0.5894918E+00 (-1/4)Del**2(Rho)) -0.1473730E+00 Diamond 0.1097571E+01 Metallicity 0.4376417E+01 Ellipticity 0.1302413E-01 Gb(Abramov) 0.2057429E+00 Vb(Abramov) -0.2641128E+00 Hb(Abramov) -0.5836992E-01 Ex_ueg -0.5333820E-01 Ec_ueg -0.7762908E-02 Delta_ex -0.6222059E-01 Delta_ec 0.1531851E-01 Delta_et -0.2019216E+00 Pxc 0.6870904E+01 Qxc -0.4061791E+01 3,-1 95 3 +1 1.244329 1.097629 -2.144322 Rho 0.2517537E-01 |GRAD(Rho)| 0.1712720E-13 GRAD(Rho)x 0.9824141E-14 GRAD(Rho)y -0.3689491E-14 GRAD(Rho)z -0.1353569E-13 Laplacian 0.1017282E+00 (-1/4)Del**2(Rho)) -0.2543206E-01 Diamond 0.1510443E-01 Metallicity 0.1464867E+01 Ellipticity -0.9291101E+01 Gb(Abramov) 0.2316380E-01 Vb(Abramov) -0.2089554E-01 Hb(Abramov) 0.2268257E-02 Ex_ueg -0.5449452E-02 Ec_ueg -0.1097548E-02 Delta_ex -0.6518551E-02 Delta_ec 0.2047232E-02 Delta_et -0.1802935E-01 Pxc 0.4965116E+01 Qxc -0.3184080E+01 3,+1 96 3 +1 1.734916 1.792810 1.781249 Rho 0.1236522E-01 |GRAD(Rho)| 0.2878597E-16 GRAD(Rho)x 0.1290221E-16 GRAD(Rho)y -0.2483605E-16 GRAD(Rho)z 0.6733199E-17 Laplacian 0.6164814E-01 (-1/4)Del**2(Rho)) -0.1541203E-01 Diamond 0.2541065E-02 Metallicity 0.7390882E+00 Ellipticity -0.1256134E+01 Gb(Abramov) 0.1217316E-01 Vb(Abramov) -0.8934296E-02 Hb(Abramov) 0.3238869E-02 Ex_ueg -0.2111807E-02 Ec_ueg -0.4764550E-03 Delta_ex -0.3045232E-02 Delta_ec 0.7838854E-03 Delta_et -0.5933359E-02 Pxc 0.4432332E+01 Qxc -0.3884792E+01 3,+1 97 3 +1 2.915516 0.026392 -0.001728 Rho 0.4484562E-02 |GRAD(Rho)| 0.6673561E-17 GRAD(Rho)x -0.1149236E-17 GRAD(Rho)y -0.5348233E-17 GRAD(Rho)z -0.3822575E-17 Laplacian 0.1824229E-01 (-1/4)Del**2(Rho)) -0.4560572E-02 Diamond 0.3989179E-03 Metallicity 0.4606813E+00 Ellipticity -0.4888288E+01 Gb(Abramov) 0.3390543E-02 Vb(Abramov) -0.2220514E-02 Hb(Abramov) 0.1170029E-02 Ex_ueg -0.5461918E-03 Ec_ueg -0.1247993E-03 Delta_ex -0.9219803E-03 Delta_ec 0.6345616E-03 Delta_et -0.3310736E-02 Pxc 0.4376561E+01 Qxc -0.1452940E+01 3,+1 98 3 +1 2.135283 0.991685 -1.363600 Rho 0.2212243E-01 |GRAD(Rho)| 0.2544041E-14 GRAD(Rho)x -0.1359349E-14 GRAD(Rho)y -0.1752500E-14 GRAD(Rho)z -0.1246217E-14 Laplacian 0.8436756E-01 (-1/4)Del**2(Rho)) -0.2109189E-01 Diamond 0.9014995E-02 Metallicity 0.1423943E+01 Ellipticity -0.2892585E+01 Gb(Abramov) 0.1906687E-01 Vb(Abramov) -0.1704184E-01 Hb(Abramov) 0.2025023E-02 Ex_ueg -0.4586649E-02 Ec_ueg -0.9449538E-03 Delta_ex -0.5039561E-02 Delta_ec 0.1360761E-02 Delta_et -0.1167667E-01 Pxc 0.4853834E+01 Qxc -0.3703487E+01 3,+1 99 3 +3 0.084672 2.311525 -0.032113 Rho 0.4283123E-02 |GRAD(Rho)| 0.5244551E-17 GRAD(Rho)x -0.2941715E-17 GRAD(Rho)y -0.3386814E-17 GRAD(Rho)z -0.2716821E-17 Laplacian 0.1778292E-01 (-1/4)Del**2(Rho)) -0.4445729E-02 Diamond 0.1381373E-03 Metallicity 0.4377347E+00 Ellipticity -0.3224950E+00 Gb(Abramov) 0.3288161E-02 Vb(Abramov) -0.2130593E-02 Hb(Abramov) 0.1157568E-02 Ex_ueg -0.5137270E-03 Ec_ueg -0.1161943E-03 Delta_ex -0.6316476E-03 Delta_ec 0.1550453E-03 Delta_et -0.9697532E-03 Pxc 0.4421276E+01 Qxc -0.4073955E+01 3,+3 100 3 -1 3.122555 -3.247401 -0.104844 Rho 0.2359775E+00 |GRAD(Rho)| 0.2008910E-14 GRAD(Rho)x 0.1309066E-14 GRAD(Rho)y 0.3937280E-15 GRAD(Rho)z -0.1472089E-14 Laplacian 0.8632320E+00 (-1/4)Del**2(Rho)) -0.2158080E+00 Diamond 0.2990751E+01 Metallicity 0.7193442E+01 Ellipticity 0.1375915E-01 Gb(Abramov) 0.4026057E+00 Vb(Abramov) -0.5894034E+00 Hb(Abramov) -0.1867977E+00 Ex_ueg -0.1076992E+00 Ec_ueg -0.1416149E-01 Delta_ex -0.1038328E+00 Delta_ec 0.1915741E-01 Delta_et -0.2651682E+00 Pxc 0.7605075E+01 Qxc -0.5419980E+01 3,-1 101 3 -1 2.876561 -2.009148 0.791748 Rho 0.9162318E-01 |GRAD(Rho)| 0.1639083E-13 GRAD(Rho)x 0.7885853E-14 GRAD(Rho)y 0.9193109E-14 GRAD(Rho)z 0.1104353E-13 Laplacian 0.3676285E+00 (-1/4)Del**2(Rho)) -0.9190711E-01 Diamond 0.4092516E+00 Metallicity 0.3490436E+01 Ellipticity 0.4143425E-02 Gb(Abramov) 0.1147374E+00 Vb(Abramov) -0.1375677E+00 Hb(Abramov) -0.2283027E-01 Ex_ueg -0.3050649E-01 Ec_ueg -0.4820472E-02 Delta_ex -0.3506692E-01 Delta_ec 0.1037478E-01 Delta_et -0.1265210E+00 Pxc 0.6328527E+01 Qxc -0.3380016E+01 3,-1 102 3 +1 2.053044 -1.335315 1.039882 Rho 0.2369568E-01 |GRAD(Rho)| 0.3564184E-12 GRAD(Rho)x 0.2924959E-12 GRAD(Rho)y -0.1574926E-12 GRAD(Rho)z 0.1291367E-12 Laplacian 0.9281016E-01 (-1/4)Del**2(Rho)) -0.2320254E-01 Diamond 0.1175216E-01 Metallicity 0.1451442E+01 Ellipticity -0.4150628E+01 Gb(Abramov) 0.2108122E-01 Vb(Abramov) -0.1895989E-01 Hb(Abramov) 0.2121322E-02 Ex_ueg -0.5026636E-02 Ec_ueg -0.1023271E-02 Delta_ex -0.5746003E-02 Delta_ec 0.1674175E-02 Delta_et -0.1455837E-01 Pxc 0.4912323E+01 Qxc -0.3432140E+01 3,+1 103 3 -1 -1.802624 2.750547 -0.566710 Rho 0.1455145E+00 |GRAD(Rho)| 0.1137024E-15 GRAD(Rho)x 0.3949206E-16 GRAD(Rho)y 0.1028298E-15 GRAD(Rho)z 0.2818926E-16 Laplacian 0.6007657E+00 (-1/4)Del**2(Rho)) -0.1501914E+00 Diamond 0.1179826E+01 Metallicity 0.4617625E+01 Ellipticity 0.1474201E-01 Gb(Abramov) 0.2157155E+00 Vb(Abramov) -0.2812397E+00 Hb(Abramov) -0.6552412E-01 Ex_ueg -0.5652755E-01 Ec_ueg -0.8157000E-02 Delta_ex -0.6409977E-01 Delta_ec 0.1546825E-01 Delta_et -0.2052729E+00 Pxc 0.6929944E+01 Qxc -0.4143958E+01 3,-1 104 3 -1 -3.019973 -2.007017 -0.856756 Rho 0.1420453E+00 |GRAD(Rho)| 0.2360506E-13 GRAD(Rho)x 0.8517147E-14 GRAD(Rho)y -0.1318721E-13 GRAD(Rho)z 0.1762823E-13 Laplacian 0.5575381E+00 (-1/4)Del**2(Rho)) -0.1393845E+00 Diamond 0.1051915E+01 Metallicity 0.4779507E+01 Ellipticity 0.7259748E-01 Gb(Abramov) 0.2039546E+00 Vb(Abramov) -0.2685247E+00 Hb(Abramov) -0.6457006E-01 Ex_ueg -0.5473780E-01 Ec_ueg -0.7936257E-02 Delta_ex -0.5901250E-01 Delta_ec 0.1421575E-01 Delta_et -0.1875045E+00 Pxc 0.6897182E+01 Qxc -0.4151206E+01 3,-1 105 3 -1 -2.796956 -1.798804 0.590494 Rho 0.1424052E+00 |GRAD(Rho)| 0.1449833E-13 GRAD(Rho)x 0.1571565E-14 GRAD(Rho)y -0.1083671E-13 GRAD(Rho)z -0.9502503E-14 Laplacian 0.5928286E+00 (-1/4)Del**2(Rho)) -0.1482072E+00 Diamond 0.1108571E+01 Metallicity 0.4513987E+01 Ellipticity 0.2797635E-01 Gb(Abramov) 0.2103056E+00 Vb(Abramov) -0.2724041E+00 Hb(Abramov) -0.6209847E-01 Ex_ueg -0.5492281E-01 Ec_ueg -0.7959122E-02 Delta_ex -0.6264432E-01 Delta_ec 0.1485204E-01 Delta_et -0.1954218E+00 Pxc 0.6900611E+01 Qxc -0.4217892E+01 3,-1 106 3 -1 -2.960696 -0.948972 -2.057091 Rho 0.1317691E+00 |GRAD(Rho)| 0.2441816E-15 GRAD(Rho)x -0.2428410E-15 GRAD(Rho)y -0.1540922E-16 GRAD(Rho)z 0.2038300E-16 Laplacian 0.5100763E+00 (-1/4)Del**2(Rho)) -0.1275191E+00 Diamond 0.9021240E+00 Metallicity 0.4609644E+01 Ellipticity 0.2980900E-01 Gb(Abramov) 0.1829823E+00 Vb(Abramov) -0.2384455E+00 Hb(Abramov) -0.5546323E-01 Ex_ueg -0.4952258E-01 Ec_ueg -0.7286900E-02 Delta_ex -0.5328145E-01 Delta_ec 0.1372662E-01 Delta_et -0.1799162E+00 Pxc 0.6796110E+01 Qxc -0.3881615E+01 3,-1 107 3 +1 -1.749135 1.739822 -1.745272 Rho 0.1157875E-01 |GRAD(Rho)| 0.2206060E-16 GRAD(Rho)x 0.2339551E-17 GRAD(Rho)y -0.1303447E-16 GRAD(Rho)z -0.1764367E-16 Laplacian 0.5637526E-01 (-1/4)Del**2(Rho)) -0.1409382E-01 Diamond 0.2165810E-02 Metallicity 0.7243703E+00 Ellipticity -0.1284971E+01 Gb(Abramov) 0.1109740E-01 Vb(Abramov) -0.8100985E-02 Hb(Abramov) 0.2996415E-02 Ex_ueg -0.1934642E-02 Ec_ueg -0.4401576E-03 Delta_ex -0.2749632E-02 Delta_ec 0.7397875E-03 Delta_et -0.5492527E-02 Pxc 0.4395338E+01 Qxc -0.3716787E+01 3,+1 108 3 +3 -1.117165 1.118736 -1.151076 Rho 0.5185439E-02 |GRAD(Rho)| 0.5816201E-17 GRAD(Rho)x 0.5769732E-18 GRAD(Rho)y 0.6293682E-18 GRAD(Rho)z 0.5753190E-17 Laplacian 0.2133334E-01 (-1/4)Del**2(Rho)) -0.5333335E-02 Diamond 0.1627583E-03 Metallicity 0.5017995E+00 Ellipticity -0.1855505E+00 Gb(Abramov) 0.4001601E-02 Vb(Abramov) -0.2669866E-02 Hb(Abramov) 0.1331734E-02 Ex_ueg -0.6628762E-03 Ec_ueg -0.1549017E-03 Delta_ex -0.7499972E-03 Delta_ec 0.1036992E-03 Delta_et -0.7980755E-03 Pxc 0.4279334E+01 Qxc -0.7232427E+01 3,+3 109 3 -1 -1.973882 0.857998 3.039104 Rho 0.1547668E+00 |GRAD(Rho)| 0.3029301E-15 GRAD(Rho)x -0.2192799E-16 GRAD(Rho)y -0.2421159E-15 GRAD(Rho)z -0.1807365E-15 Laplacian 0.6061181E+00 (-1/4)Del**2(Rho)) -0.1515295E+00 Diamond 0.1261249E+01 Metallicity 0.5072075E+01 Ellipticity 0.6657498E-01 Gb(Abramov) 0.2291146E+00 Vb(Abramov) -0.3066996E+00 Hb(Abramov) -0.7758503E-01 Ex_ueg -0.6136992E-01 Ec_ueg -0.8749355E-02 Delta_ex -0.6546040E-01 Delta_ec 0.1501885E-01 Delta_et -0.2002058E+00 Pxc 0.7014223E+01 Qxc -0.4358550E+01 3,-1 110 3 -1 -0.462220 1.718410 1.667075 Rho 0.3633988E-01 |GRAD(Rho)| 0.9649823E-12 GRAD(Rho)x -0.9173339E-12 GRAD(Rho)y 0.1921107E-12 GRAD(Rho)z 0.2297451E-12 Laplacian 0.1486957E+00 (-1/4)Del**2(Rho)) -0.3717393E-01 Diamond 0.5014114E-01 Metallicity 0.1847653E+01 Ellipticity 0.4681074E-01 Gb(Abramov) 0.3623004E-01 Vb(Abramov) -0.3528616E-01 Hb(Abramov) 0.9438867E-03 Ex_ueg -0.8889890E-02 Ec_ueg -0.1675028E-02 Delta_ex -0.1139064E-01 Delta_ec 0.4592756E-02 Delta_et -0.4447966E-01 Pxc 0.5307307E+01 Qxc -0.2480132E+01 3,-1 111 3 -1 -1.687789 1.653764 0.464677 Rho 0.4467342E-01 |GRAD(Rho)| 0.3353398E-15 GRAD(Rho)x -0.1970635E-15 GRAD(Rho)y 0.2653483E-15 GRAD(Rho)z -0.5664850E-16 Laplacian 0.1750590E+00 (-1/4)Del**2(Rho)) -0.4376474E-01 Diamond 0.7555217E-01 Metallicity 0.2213999E+01 Ellipticity 0.1784258E-01 Gb(Abramov) 0.4532568E-01 Vb(Abramov) -0.4688662E-01 Hb(Abramov) -0.1560938E-02 Ex_ueg -0.1170714E-01 Ec_ueg -0.2122627E-02 Delta_ex -0.1397869E-01 Delta_ec 0.5167634E-02 Delta_et -0.5288856E-01 Pxc 0.5515399E+01 Qxc -0.2705046E+01 3,-1 112 3 +3 -1.817585 1.801226 1.864536 Rho 0.1178960E-01 |GRAD(Rho)| 0.2414938E-14 GRAD(Rho)x 0.1285670E-14 GRAD(Rho)y -0.1412298E-14 GRAD(Rho)z -0.1477969E-14 Laplacian 0.5321855E-01 (-1/4)Del**2(Rho)) -0.1330464E-01 Diamond 0.1062771E-02 Metallicity 0.7907666E+00 Ellipticity -0.5567640E+00 Gb(Abramov) 0.1062323E-01 Vb(Abramov) -0.7941833E-02 Hb(Abramov) 0.2681402E-02 Ex_ueg -0.1981756E-02 Ec_ueg -0.4498647E-03 Delta_ex -0.2302379E-02 Delta_ec 0.1526935E-03 Delta_et -0.1557357E-02 Pxc 0.4405227E+01 Qxc -0.1507844E+02 3,+3 113 3 +1 -0.515439 1.665654 -0.586821 Rho 0.8768403E-02 |GRAD(Rho)| 0.1878196E-13 GRAD(Rho)x 0.1743466E-13 GRAD(Rho)y -0.6432623E-14 GRAD(Rho)z 0.2723232E-14 Laplacian 0.3612754E-01 (-1/4)Del**2(Rho)) -0.9031885E-02 Diamond 0.1030885E-02 Metallicity 0.7111736E+00 Ellipticity -0.1433140E+01 Gb(Abramov) 0.7091796E-02 Vb(Abramov) -0.5151708E-02 Hb(Abramov) 0.1940089E-02 Ex_ueg -0.1335403E-02 Ec_ueg -0.3125212E-03 Delta_ex -0.1675335E-02 Delta_ec 0.5382953E-03 Delta_et -0.3673442E-02 Pxc 0.4273000E+01 Qxc -0.3112298E+01 3,+1 114 3 +1 -0.678177 -1.714569 0.495865 Rho 0.8174111E-02 |GRAD(Rho)| 0.3344490E-15 GRAD(Rho)x -0.2245698E-15 GRAD(Rho)y -0.1729811E-16 GRAD(Rho)z -0.2472354E-15 Laplacian 0.3359031E-01 (-1/4)Del**2(Rho)) -0.8397577E-02 Diamond 0.8907740E-03 Metallicity 0.6804561E+00 Ellipticity -0.1433266E+01 Gb(Abramov) 0.6550748E-02 Vb(Abramov) -0.4703919E-02 Hb(Abramov) 0.1846829E-02 Ex_ueg -0.1216109E-02 Ec_ueg -0.2859651E-03 Delta_ex -0.1540026E-02 Delta_ec 0.5173929E-03 Delta_et -0.3453516E-02 Pxc 0.4252647E+01 Qxc -0.2976512E+01 3,+1 115 3 -1 -0.763312 -3.414444 -1.257474 Rho 0.3074967E+00 |GRAD(Rho)| 0.3420007E-15 GRAD(Rho)x 0.5112056E-16 GRAD(Rho)y -0.3271233E-15 GRAD(Rho)z -0.8568257E-16 Laplacian -0.1574380E+01 (-1/4)Del**2(Rho)) 0.3935951E+00 Diamond 0.5308334E+01 Metallicity -0.6131558E+01 Ellipticity 0.2644323E-02 Gb(Abramov) 0.1398285E+00 Vb(Abramov) -0.6732521E+00 Hb(Abramov) -0.5334236E+00 Ex_ueg -0.1532871E+00 Ec_ueg -0.1922990E-01 Delta_ex 0.1541011E+00 Delta_ec 0.5536618E-01 Delta_et -0.1291347E+01 Pxc 0.7971290E+01 Qxc 0.2783307E+01 3,-1 116 3 +3 -0.141453 -2.376258 -0.131083 Rho 0.3854053E-02 |GRAD(Rho)| 0.5673054E-15 GRAD(Rho)x 0.1245816E-15 GRAD(Rho)y 0.4519226E-15 GRAD(Rho)z 0.3195008E-15 Laplacian 0.1593425E-01 (-1/4)Del**2(Rho)) -0.3983563E-02 Diamond 0.9621984E-04 Metallicity 0.4097110E+00 Ellipticity -0.2484548E+00 Gb(Abramov) 0.2927727E-02 Vb(Abramov) -0.1871891E-02 Hb(Abramov) 0.1055836E-02 Ex_ueg -0.4462813E-03 Ec_ueg -0.9793634E-04 Delta_ex -0.5364438E-03 Delta_ec 0.1130039E-03 Delta_et -0.7278462E-03 Pxc 0.4556851E+01 Qxc -0.4747128E+01 3,+3 117 3 -1 -0.594225 -1.822631 2.819143 Rho 0.1378185E+00 |GRAD(Rho)| 0.3737615E-13 GRAD(Rho)x -0.3627982E-13 GRAD(Rho)y -0.2289428E-14 GRAD(Rho)z -0.8689630E-14 Laplacian 0.5740297E+00 (-1/4)Del**2(Rho)) -0.1435074E+00 Diamond 0.1056991E+01 Metallicity 0.4414262E+01 Ellipticity 0.9258057E-02 Gb(Abramov) 0.2012515E+00 Vb(Abramov) -0.2589956E+00 Hb(Abramov) -0.5774409E-01 Ex_ueg -0.5257692E-01 Ec_ueg -0.7668344E-02 Delta_ex -0.6045197E-01 Delta_ec 0.1499480E-01 Delta_et -0.1974066E+00 Pxc 0.6856359E+01 Qxc -0.4031530E+01 3,-1 118 3 +1 0.598584 -1.537773 -1.668472 Rho 0.2854631E-02 |GRAD(Rho)| 0.7443726E-17 GRAD(Rho)x -0.1017816E-17 GRAD(Rho)y 0.6271220E-17 GRAD(Rho)z 0.3878776E-17 Laplacian 0.1118531E-01 (-1/4)Del**2(Rho)) -0.2796327E-02 Diamond 0.6861458E-04 Metallicity 0.3539010E+00 Ellipticity -0.1072708E+01 Gb(Abramov) 0.2029155E-02 Vb(Abramov) -0.1261983E-02 Hb(Abramov) 0.7671718E-03 Ex_ueg -0.2990784E-03 Ec_ueg -0.5579032E-04 Delta_ex -0.3949380E-03 Delta_ec 0.1620671E-03 Delta_et -0.8219893E-03 Pxc 0.5360758E+01 Qxc -0.2436880E+01 3,+1 119 3 -1 0.862278 1.994575 -2.955948 Rho 0.1417160E+00 |GRAD(Rho)| 0.2079458E-15 GRAD(Rho)x -0.1243715E-15 GRAD(Rho)y 0.1040428E-15 GRAD(Rho)z -0.1301856E-15 Laplacian 0.5646614E+00 (-1/4)Del**2(Rho)) -0.1411654E+00 Diamond 0.1053040E+01 Metallicity 0.4700996E+01 Ellipticity 0.7198029E-01 Gb(Abramov) 0.2047132E+00 Vb(Abramov) -0.2682610E+00 Hb(Abramov) -0.6354783E-01 Ex_ueg -0.5456869E-01 Ec_ueg -0.7915346E-02 Delta_ex -0.5963212E-01 Delta_ec 0.1422622E-01 Delta_et -0.1871951E+00 Pxc 0.6894038E+01 Qxc -0.4191704E+01 3,-1 120 3 -1 0.482800 1.640183 -1.710137 Rho 0.3944805E-01 |GRAD(Rho)| 0.8501756E-16 GRAD(Rho)x 0.3892307E-16 GRAD(Rho)y -0.6181159E-16 GRAD(Rho)z 0.4350065E-16 Laplacian 0.1606296E+00 (-1/4)Del**2(Rho)) -0.4015740E-01 Diamond 0.6032299E-01 Metallicity 0.1961087E+01 Ellipticity 0.1395586E-01 Gb(Abramov) 0.3989696E-01 Vb(Abramov) -0.3963652E-01 Hb(Abramov) 0.2604391E-03 Ex_ueg -0.9917887E-02 Ec_ueg -0.1840494E-02 Delta_ex -0.1254074E-01 Delta_ec 0.4934295E-02 Delta_et -0.4886966E-01 Pxc 0.5388711E+01 Qxc -0.2541547E+01 3,-1 121 3 -1 0.567501 1.823794 2.760280 Rho 0.1391807E+00 |GRAD(Rho)| 0.1249531E-11 GRAD(Rho)x -0.9365559E-12 GRAD(Rho)y 0.2585271E-12 GRAD(Rho)z -0.7857188E-12 Laplacian 0.5787127E+00 (-1/4)Del**2(Rho)) -0.1446782E+00 Diamond 0.1058291E+01 Metallicity 0.4450906E+01 Ellipticity 0.1613248E-01 Gb(Abramov) 0.2037769E+00 Vb(Abramov) -0.2628757E+00 Hb(Abramov) -0.5909877E-01 Ex_ueg -0.5327094E-01 Ec_ueg -0.7754561E-02 Delta_ex -0.6087083E-01 Delta_ec 0.1468840E-01 Delta_et -0.1928618E+00 Pxc 0.6869627E+01 Qxc -0.4144143E+01 3,-1 122 3 -1 0.599395 2.820943 1.801268 Rho 0.1558423E+00 |GRAD(Rho)| 0.1079554E-15 GRAD(Rho)x 0.3293264E-17 GRAD(Rho)y 0.4719668E-16 GRAD(Rho)z 0.9703609E-16 Laplacian 0.6485232E+00 (-1/4)Del**2(Rho)) -0.1621308E+00 Diamond 0.1356759E+01 Metallicity 0.4795456E+01 Ellipticity 0.3090970E-01 Gb(Abramov) 0.2376691E+00 Vb(Abramov) -0.3132073E+00 Hb(Abramov) -0.7553826E-01 Ex_ueg -0.6193920E-01 Ec_ueg -0.8818549E-02 Delta_ex -0.7012251E-01 Delta_ec 0.1597387E-01 Delta_et -0.2129592E+00 Pxc 0.7023740E+01 Qxc -0.4389827E+01 3,-1 123 3 -1 0.830793 2.963006 -1.947088 Rho 0.1238884E+00 |GRAD(Rho)| 0.3271032E-15 GRAD(Rho)x 0.1979753E-15 GRAD(Rho)y 0.2489464E-15 GRAD(Rho)z 0.7634139E-16 Laplacian 0.4873904E+00 (-1/4)Del**2(Rho)) -0.1218476E+00 Diamond 0.7777000E+00 Metallicity 0.4352988E+01 Ellipticity 0.4042194E-01 Gb(Abramov) 0.1696319E+00 Vb(Abramov) -0.2174163E+00 Hb(Abramov) -0.4778433E-01 Ex_ueg -0.4561344E-01 Ec_ueg -0.6793607E-02 Delta_ex -0.4987451E-01 Delta_ec 0.1278586E-01 Delta_et -0.1649548E+00 Pxc 0.6714171E+01 Qxc -0.3900756E+01 3,-1 124 3 -1 -0.058435 3.173151 -3.167169 Rho 0.2313335E+00 |GRAD(Rho)| 0.1044108E-14 GRAD(Rho)x 0.1578056E-15 GRAD(Rho)y -0.5208507E-15 GRAD(Rho)z 0.8910516E-15 Laplacian 0.8335080E+00 (-1/4)Del**2(Rho)) -0.2083770E+00 Diamond 0.2831541E+01 Metallicity 0.7207215E+01 Ellipticity 0.4807160E-03 Gb(Abramov) 0.3892210E+00 Vb(Abramov) -0.5700649E+00 Hb(Abramov) -0.1808440E+00 Ex_ueg -0.1048825E+00 Ec_ueg -0.1384208E-01 Delta_ex -0.9980712E-01 Delta_ec 0.1872574E-01 Delta_et -0.2594878E+00 Pxc 0.7577077E+01 Qxc -0.5329943E+01 3,-1 125 3 -1 -0.018593 2.971884 0.058999 Rho 0.5280456E-02 |GRAD(Rho)| 0.2003419E-16 GRAD(Rho)x -0.1466781E-16 GRAD(Rho)y 0.8716196E-18 GRAD(Rho)z -0.1361854E-16 Laplacian 0.2144841E-01 (-1/4)Del**2(Rho)) -0.5362102E-02 Diamond 0.6162123E-03 Metallicity 0.5144429E+00 Ellipticity 0.8137616E+01 Gb(Abramov) 0.4034484E-02 Vb(Abramov) -0.2706866E-02 Hb(Abramov) 0.1327618E-02 Ex_ueg -0.6791207E-03 Ec_ueg -0.1590019E-03 Delta_ex -0.1145031E-02 Delta_ec 0.7955590E-03 Delta_et -0.4343636E-02 Pxc 0.4271149E+01 Qxc -0.1439279E+01 3,-1 126 3 -1 0.096289 3.218141 3.173465 Rho 0.2292392E+00 |GRAD(Rho)| 0.9070081E-15 GRAD(Rho)x -0.1628878E-15 GRAD(Rho)y -0.4293983E-15 GRAD(Rho)z -0.7821434E-15 Laplacian 0.8215207E+00 (-1/4)Del**2(Rho)) -0.2053802E+00 Diamond 0.2763935E+01 Metallicity 0.7202380E+01 Ellipticity 0.2142384E-02 Gb(Abramov) 0.3834578E+00 Vb(Abramov) -0.5615355E+00 Hb(Abramov) -0.1780776E+00 Ex_ueg -0.1036184E+00 Ec_ueg -0.1369842E-01 Delta_ex -0.9815940E-01 Delta_ec 0.1854039E-01 Delta_et -0.2569544E+00 Pxc 0.7564258E+01 Qxc -0.5294354E+01 3,-1 127 3 +1 1.190285 2.084004 -1.172915 Rho 0.2272481E-01 |GRAD(Rho)| 0.5546271E-16 GRAD(Rho)x 0.3519822E-17 GRAD(Rho)y 0.5318841E-16 GRAD(Rho)z -0.1532044E-16 Laplacian 0.8840712E-01 (-1/4)Del**2(Rho)) -0.2210178E-01 Diamond 0.1101772E-01 Metallicity 0.1421105E+01 Ellipticity -0.5606670E+01 Gb(Abramov) 0.1996935E-01 Vb(Abramov) -0.1783691E-01 Hb(Abramov) 0.2132433E-02 Ex_ueg -0.4753922E-02 Ec_ueg -0.9748584E-03 Delta_ex -0.5468783E-02 Delta_ec 0.1693506E-02 Delta_et -0.1454434E-01 Pxc 0.4876526E+01 Qxc -0.3229267E+01 3,+1 128 3 -1 1.713316 1.645539 -0.537151 Rho 0.3353320E-01 |GRAD(Rho)| 0.6853088E-16 GRAD(Rho)x 0.1622407E-16 GRAD(Rho)y 0.6362827E-16 GRAD(Rho)z 0.1961389E-16 Laplacian 0.1278129E+00 (-1/4)Del**2(Rho)) -0.3195322E-01 Diamond 0.3638473E-01 Metallicity 0.1880024E+01 Ellipticity 0.3326520E-01 Gb(Abramov) 0.3131429E-01 Vb(Abramov) -0.3067535E-01 Hb(Abramov) 0.6389343E-03 Ex_ueg -0.7986411E-02 Ec_ueg -0.1527252E-02 Delta_ex -0.9435857E-02 Delta_ec 0.3653973E-02 Delta_et -0.3460939E-01 Pxc 0.5229267E+01 Qxc -0.2582355E+01 3,-1 129 3 +1 2.041482 2.024698 -2.003209 Rho 0.1216373E-01 |GRAD(Rho)| 0.2746106E-16 GRAD(Rho)x -0.7944950E-17 GRAD(Rho)y 0.1483842E-16 GRAD(Rho)z 0.2169813E-16 Laplacian 0.5661418E-01 (-1/4)Del**2(Rho)) -0.1415354E-01 Diamond 0.2022231E-02 Metallicity 0.7830673E+00 Ellipticity -0.1216221E+01 Gb(Abramov) 0.1128289E-01 Vb(Abramov) -0.8412241E-02 Hb(Abramov) 0.2870652E-02 Ex_ueg -0.2066049E-02 Ec_ueg -0.4671325E-03 Delta_ex -0.2710826E-02 Delta_ec 0.5884812E-03 Delta_et -0.4538932E-02 Pxc 0.4422833E+01 Qxc -0.4606479E+01 3,+1 130 3 +3 1.842273 1.805047 -1.814433 Rho 0.1164351E-01 |GRAD(Rho)| 0.3623975E-11 GRAD(Rho)x -0.3126373E-11 GRAD(Rho)y 0.1292954E-11 GRAD(Rho)z -0.1298945E-11 Laplacian 0.5256606E-01 (-1/4)Del**2(Rho)) -0.1314152E-01 Diamond 0.1070145E-02 Metallicity 0.7841167E+00 Ellipticity -0.4905994E+00 Gb(Abramov) 0.1047842E-01 Vb(Abramov) -0.7815332E-02 Hb(Abramov) 0.2663092E-02 Ex_ueg -0.1949082E-02 Ec_ueg -0.4431371E-03 Delta_ex -0.2277352E-02 Delta_ec 0.1715855E-03 Delta_et -0.1675806E-02 Pxc 0.4398372E+01 Qxc -0.1327241E+02 3,+3 131 3 -1 1.843009 2.794271 0.556231 Rho 0.1145143E+00 |GRAD(Rho)| 0.4954121E-15 GRAD(Rho)x -0.2865343E-15 GRAD(Rho)y 0.2117582E-16 GRAD(Rho)z 0.4035875E-15 Laplacian 0.4816371E+00 (-1/4)Del**2(Rho)) -0.1204093E+00 Diamond 0.7093707E+00 Metallicity 0.3863608E+01 Ellipticity 0.1603346E-01 Gb(Abramov) 0.1578086E+00 Vb(Abramov) -0.1952078E+00 Hb(Abramov) -0.3739928E-01 Ex_ueg -0.4107065E-01 Ec_ueg -0.6212372E-02 Delta_ex -0.4851396E-01 Delta_ec 0.1313091E-01 Delta_et -0.1675228E+00 Pxc 0.6611106E+01 Qxc -0.3694638E+01 3,-1 132 3 -1 1.996443 2.976809 -0.832850 Rho 0.1485457E+00 |GRAD(Rho)| 0.4349923E-15 GRAD(Rho)x 0.2900105E-15 GRAD(Rho)y -0.3184302E-15 GRAD(Rho)z 0.6094571E-16 Laplacian 0.5845952E+00 (-1/4)Del**2(Rho)) -0.1461488E+00 Diamond 0.1177301E+01 Metallicity 0.4911245E+01 Ellipticity 0.3408990E-01 Gb(Abramov) 0.2170613E+00 Vb(Abramov) -0.2879738E+00 Hb(Abramov) -0.7091250E-01 Ex_ueg -0.5810301E-01 Ec_ueg -0.8350486E-02 Delta_ex -0.6269453E-01 Delta_ec 0.1498374E-01 Delta_et -0.1994536E+00 Pxc 0.6958040E+01 Qxc -0.4184172E+01 3,-1 133 3 -1 2.731009 -0.655423 -1.850382 Rho 0.1420209E+00 |GRAD(Rho)| 0.4897475E-12 GRAD(Rho)x -0.9860538E-13 GRAD(Rho)y 0.2749204E-12 GRAD(Rho)z -0.3931264E-12 Laplacian 0.5845399E+00 (-1/4)Del**2(Rho)) -0.1461350E+00 Diamond 0.1118612E+01 Metallicity 0.4557423E+01 Ellipticity 0.5292731E-02 Gb(Abramov) 0.2084232E+00 Vb(Abramov) -0.2707113E+00 Hb(Abramov) -0.6228817E-01 Ex_ueg -0.5472529E-01 Ec_ueg -0.7934709E-02 Delta_ex -0.6203912E-01 Delta_ec 0.1521054E-01 Delta_et -0.2012771E+00 Pxc 0.6896949E+01 Qxc -0.4078693E+01 3,-1 134 3 +1 1.634202 -0.604854 -0.554796 Rho 0.8773911E-02 |GRAD(Rho)| 0.1611781E-16 GRAD(Rho)x -0.5349369E-18 GRAD(Rho)y -0.1011444E-16 GRAD(Rho)z 0.1253777E-16 Laplacian 0.3732832E-01 (-1/4)Del**2(Rho)) -0.9332079E-02 Diamond 0.1076352E-02 Metallicity 0.6890173E+00 Ellipticity -0.1410403E+01 Gb(Abramov) 0.7293047E-02 Vb(Abramov) -0.5254015E-02 Hb(Abramov) 0.2039032E-02 Ex_ueg -0.1336522E-02 Ec_ueg -0.3127681E-03 Delta_ex -0.1735807E-02 Delta_ec 0.5642484E-03 Delta_et -0.3845035E-02 Pxc 0.4273204E+01 Qxc -0.3076317E+01 3,+1 135 3 +1 1.982342 -2.016558 2.044351 Rho 0.1258807E-01 |GRAD(Rho)| 0.1164586E-16 GRAD(Rho)x -0.5631173E-18 GRAD(Rho)y -0.1140427E-16 GRAD(Rho)z -0.2291644E-17 Laplacian 0.5923328E-01 (-1/4)Del**2(Rho)) -0.1480832E-01 Diamond 0.2185295E-02 Metallicity 0.7924635E+00 Ellipticity -0.1205508E+01 Gb(Abramov) 0.1182806E-01 Vb(Abramov) -0.8847791E-02 Hb(Abramov) 0.2980265E-02 Ex_ueg -0.2162705E-02 Ec_ueg -0.4867839E-03 Delta_ex -0.2853947E-02 Delta_ec 0.5998120E-03 Delta_et -0.4676900E-02 Pxc 0.4442843E+01 Qxc -0.4758069E+01 3,+1 136 3 -1 2.941243 -0.850553 1.979032 Rho 0.1769541E+00 |GRAD(Rho)| 0.1802935E-15 GRAD(Rho)x -0.1534959E-15 GRAD(Rho)y 0.4797595E-16 GRAD(Rho)z 0.8150490E-16 Laplacian 0.6955766E+00 (-1/4)Del**2(Rho)) -0.1738941E+00 Diamond 0.1710425E+01 Metallicity 0.5525469E+01 Ellipticity 0.5084919E-01 Gb(Abramov) 0.2760705E+00 Vb(Abramov) -0.3782470E+00 Hb(Abramov) -0.1021764E+00 Ex_ueg -0.7337236E-01 Ec_ueg -0.1019075E-01 Delta_ex -0.7776080E-01 Delta_ec 0.1679771E-01 Delta_et -0.2278892E+00 Pxc 0.7199897E+01 Qxc -0.4629251E+01 3,-1 137 3 +1 1.516570 -2.013013 -2.025493 Rho 0.6604378E-02 |GRAD(Rho)| 0.8139204E-17 GRAD(Rho)x 0.2728293E-17 GRAD(Rho)y 0.6248139E-17 GRAD(Rho)z -0.4445652E-17 Laplacian 0.2894690E-01 (-1/4)Del**2(Rho)) -0.7236726E-02 Diamond 0.9388811E-03 Metallicity 0.5534320E+00 Ellipticity -0.2410105E+01 Gb(Abramov) 0.5491990E-02 Vb(Abramov) -0.3747254E-02 Hb(Abramov) 0.1744736E-02 Ex_ueg -0.9151543E-03 Ec_ueg -0.2165959E-03 Delta_ex -0.1492909E-02 Delta_ec 0.8625883E-03 Delta_et -0.5110664E-02 Pxc 0.4225168E+01 Qxc -0.1730732E+01 3,+1 138 3 -1 3.177619 0.028766 3.202971 Rho 0.2416157E+00 |GRAD(Rho)| 0.5133730E-15 GRAD(Rho)x -0.7882150E-16 GRAD(Rho)y -0.5724587E-16 GRAD(Rho)z -0.5040456E-15 Laplacian 0.8693152E+00 (-1/4)Del**2(Rho)) -0.2173288E+00 Diamond 0.3107171E+01 Metallicity 0.7429812E+01 Ellipticity 0.5144619E-02 Gb(Abramov) 0.4140046E+00 Vb(Abramov) -0.6106804E+00 Hb(Abramov) -0.1966758E+00 Ex_ueg -0.1111438E+00 Ec_ueg -0.1455087E-01 Delta_ex -0.1052560E+00 Delta_ec 0.1923840E-01 Delta_et -0.2668685E+00 Pxc 0.7638291E+01 Qxc -0.5471139E+01 3,-1 139 3 -1 -3.207727 3.130990 -0.074701 Rho 0.2371975E+00 |GRAD(Rho)| 0.1448366E-12 GRAD(Rho)x 0.1002296E-12 GRAD(Rho)y -0.1021312E-12 GRAD(Rho)z 0.2238053E-13 Laplacian 0.8716019E+00 (-1/4)Del**2(Rho)) -0.2179005E+00 Diamond 0.3031679E+01 Metallicity 0.7185856E+01 Ellipticity 0.6772205E-02 Gb(Abramov) 0.4062339E+00 Vb(Abramov) -0.5945673E+00 Hb(Abramov) -0.1883334E+00 Ex_ueg -0.1084422E+00 Ec_ueg -0.1424560E-01 Delta_ex -0.1049435E+00 Delta_ec 0.1924750E-01 Delta_et -0.2661784E+00 Pxc 0.7612333E+01 Qxc -0.5452318E+01 3,-1 140 3 +1 -1.091375 1.283832 2.133716 Rho 0.2179028E-01 |GRAD(Rho)| 0.7001079E-16 GRAD(Rho)x 0.2423160E-17 GRAD(Rho)y -0.1241607E-16 GRAD(Rho)z -0.6885841E-16 Laplacian 0.8481723E-01 (-1/4)Del**2(Rho)) -0.2120431E-01 Diamond 0.9847955E-02 Metallicity 0.1381127E+01 Ellipticity -0.4499236E+01 Gb(Abramov) 0.1901718E-01 Vb(Abramov) -0.1683005E-01 Hb(Abramov) 0.2187128E-02 Ex_ueg -0.4495059E-02 Ec_ueg -0.9285084E-03 Delta_ex -0.5172758E-02 Delta_ec 0.1594314E-02 Delta_et -0.1355348E-01 Pxc 0.4841161E+01 Qxc -0.3244504E+01 3,+1 141 3 -1 -3.177239 -0.037990 3.260833 Rho 0.2308453E+00 |GRAD(Rho)| 0.1964071E-15 GRAD(Rho)x -0.1895185E-15 GRAD(Rho)y 0.6722053E-17 GRAD(Rho)z 0.5112013E-16 Laplacian 0.8241367E+00 (-1/4)Del**2(Rho)) -0.2060342E+00 Diamond 0.2799865E+01 Metallicity 0.7263551E+01 Ellipticity 0.1214822E-02 Gb(Abramov) 0.3867794E+00 Vb(Abramov) -0.5675247E+00 Hb(Abramov) -0.1807452E+00 Ex_ueg -0.1045875E+00 Ec_ueg -0.1380857E-01 Delta_ex -0.9867156E-01 Delta_ec 0.1859930E-01 Delta_et -0.2580142E+00 Pxc 0.7574100E+01 Qxc -0.5305123E+01 3,-1 142 3 +1 -1.068439 2.109008 1.298498 Rho 0.2516178E-01 |GRAD(Rho)| 0.2039545E-14 GRAD(Rho)x 0.7480335E-15 GRAD(Rho)y 0.1259137E-14 GRAD(Rho)z 0.1419424E-14 Laplacian 0.1015899E+00 (-1/4)Del**2(Rho)) -0.2539749E-01 Diamond 0.1440550E-01 Metallicity 0.1465541E+01 Ellipticity -0.5224632E+01 Gb(Abramov) 0.2313517E-01 Vb(Abramov) -0.2087285E-01 Hb(Abramov) 0.2262320E-02 Ex_ueg -0.5445530E-02 Ec_ueg -0.1096863E-02 Delta_ex -0.6436932E-02 Delta_ec 0.1916177E-02 Delta_et -0.1689744E-01 Pxc 0.4964641E+01 Qxc -0.3359257E+01 3,+1 143 3 -1 1.341476 -2.128334 -2.147743 Rho 0.6696885E-02 |GRAD(Rho)| 0.1022206E-14 GRAD(Rho)x 0.7511598E-15 GRAD(Rho)y 0.5129530E-15 GRAD(Rho)z 0.4664149E-15 Laplacian 0.2749073E-01 (-1/4)Del**2(Rho)) -0.6872683E-02 Diamond 0.1209993E-02 Metallicity 0.5964147E+00 Ellipticity 0.1044626E+01 Gb(Abramov) 0.5264950E-02 Vb(Abramov) -0.3657217E-02 Hb(Abramov) 0.1607733E-02 Ex_ueg -0.9322854E-03 Ec_ueg -0.2206520E-03 Delta_ex -0.1611462E-02 Delta_ec 0.1157722E-02 Delta_et -0.6749339E-02 Pxc 0.4225139E+01 Qxc -0.1391925E+01 3,-1 144 3 -1 1.583639 -1.765832 0.410898 Rho 0.4089856E-01 |GRAD(Rho)| 0.5261893E-16 GRAD(Rho)x -0.3195559E-16 GRAD(Rho)y 0.3207227E-16 GRAD(Rho)z 0.2681346E-16 Laplacian 0.1580244E+00 (-1/4)Del**2(Rho)) -0.3950611E-01 Diamond 0.6085177E-01 Metallicity 0.2117072E+01 Ellipticity 0.1190150E-01 Gb(Abramov) 0.4027695E-01 Vb(Abramov) -0.4104780E-01 Hb(Abramov) -0.7708455E-03 Ex_ueg -0.1040709E-01 Ec_ueg -0.1918330E-02 Delta_ex -0.1236426E-01 Delta_ec 0.4704487E-02 Delta_et -0.4703354E-01 Pxc 0.5425077E+01 Qxc -0.2628184E+01 3,-1 145 3 +3 1.775428 -1.825561 1.824004 Rho 0.1202760E-01 |GRAD(Rho)| 0.3693689E-16 GRAD(Rho)x -0.1178437E-16 GRAD(Rho)y 0.2811321E-16 GRAD(Rho)z -0.2085929E-16 Laplacian 0.5470334E-01 (-1/4)Del**2(Rho)) -0.1367584E-01 Diamond 0.1143016E-02 Metallicity 0.7953608E+00 Ellipticity -0.5115972E+00 Gb(Abramov) 0.1093009E-01 Vb(Abramov) -0.8184353E-02 Hb(Abramov) 0.2745741E-02 Ex_ueg -0.2035277E-02 Ec_ueg -0.4608432E-03 Delta_ex -0.2386351E-02 Delta_ec 0.1669453E-03 Delta_et -0.1669364E-02 Pxc 0.4416421E+01 Qxc -0.1429421E+02 3,+3 146 3 +1 1.195077 -1.132164 2.096621 Rho 0.2298446E-01 |GRAD(Rho)| 0.2728429E-16 GRAD(Rho)x -0.3036908E-17 GRAD(Rho)y 0.2852915E-17 GRAD(Rho)z -0.2696425E-16 Laplacian 0.8835666E-01 (-1/4)Del**2(Rho)) -0.2208917E-01 Diamond 0.1066033E-01 Metallicity 0.1449098E+01 Ellipticity -0.4214139E+01 Gb(Abramov) 0.2006101E-01 Vb(Abramov) -0.1803285E-01 Hb(Abramov) 0.2028160E-02 Ex_ueg -0.4826484E-02 Ec_ueg -0.9877803E-03 Delta_ex -0.5418174E-02 Delta_ec 0.1578858E-02 Delta_et -0.1362848E-01 Pxc 0.4886192E+01 Qxc -0.3431705E+01 3,+1 147 3 -1 1.938734 -0.841733 2.991967 Rho 0.1454408E+00 |GRAD(Rho)| 0.4722372E-15 GRAD(Rho)x 0.1364604E-15 GRAD(Rho)y 0.4520581E-15 GRAD(Rho)z -0.5475221E-17 Laplacian 0.5775888E+00 (-1/4)Del**2(Rho)) -0.1443972E+00 Diamond 0.1132625E+01 Metallicity 0.4798863E+01 Ellipticity 0.3128180E-01 Gb(Abramov) 0.2117552E+00 Vb(Abramov) -0.2791132E+00 Hb(Abramov) -0.6735801E-01 Ex_ueg -0.5648939E-01 Ec_ueg -0.8152304E-02 Delta_ex -0.6160892E-01 Delta_ec 0.1485491E-01 Delta_et -0.1970786E+00 Pxc 0.6929255E+01 Qxc -0.4147378E+01 3,-1 148 3 -1 2.794389 1.819172 0.579605 Rho 0.1421546E+00 |GRAD(Rho)| 0.1185975E-13 GRAD(Rho)x 0.6220468E-14 GRAD(Rho)y 0.1006851E-13 GRAD(Rho)z -0.7645523E-15 Laplacian 0.5982841E+00 (-1/4)Del**2(Rho)) -0.1495710E+00 Diamond 0.1141054E+01 Metallicity 0.4459714E+01 Ellipticity 0.1261319E-01 Gb(Abramov) 0.2108880E+00 Vb(Abramov) -0.2722050E+00 Hb(Abramov) -0.6131699E-01 Ex_ueg -0.5479397E-01 Ec_ueg -0.7943199E-02 Delta_ex -0.6345722E-01 Delta_ec 0.1546615E-01 Delta_et -0.2044811E+00 Pxc 0.6898224E+01 Qxc -0.4102975E+01 3,-1 149 3 -1 -2.075219 -0.902359 -3.243895 Rho 0.2335323E+00 |GRAD(Rho)| 0.9850659E-15 GRAD(Rho)x 0.3047692E-15 GRAD(Rho)y -0.7843119E-15 GRAD(Rho)z -0.5121771E-15 Laplacian 0.9019795E+00 (-1/4)Del**2(Rho)) -0.2254949E+00 Diamond 0.3043680E+01 Metallicity 0.6765937E+01 Ellipticity 0.1508266E-01 Gb(Abramov) 0.4046106E+00 Vb(Abramov) -0.5837263E+00 Hb(Abramov) -0.1791157E+00 Ex_ueg -0.1062138E+00 Ec_ueg -0.1399316E-01 Delta_ex -0.1079654E+00 Delta_ec 0.1966082E-01 Delta_et -0.2702411E+00 Pxc 0.7590406E+01 Qxc -0.5491400E+01 3,-1 150 3 -1 -1.772980 0.495271 -2.836725 Rho 0.1310320E+00 |GRAD(Rho)| 0.7150578E-15 GRAD(Rho)x -0.1688374E-15 GRAD(Rho)y -0.6946754E-15 GRAD(Rho)z 0.1508735E-16 Laplacian 0.5449965E+00 (-1/4)Del**2(Rho)) -0.1362491E+00 Diamond 0.9519490E+00 Metallicity 0.4274137E+01 Ellipticity 0.1427453E-01 Gb(Abramov) 0.1878906E+00 Vb(Abramov) -0.2395322E+00 Hb(Abramov) -0.5164152E-01 Ex_ueg -0.4915355E-01 Ec_ueg -0.7240584E-02 Delta_ex -0.5678741E-01 Delta_ec 0.1456954E-01 Delta_et -0.1905729E+00 Pxc 0.6788616E+01 Qxc -0.3897679E+01 3,-1 151 3 +1 -1.782609 -1.759634 1.814608 Rho 0.1220605E-01 |GRAD(Rho)| 0.1084921E-14 GRAD(Rho)x 0.1376880E-15 GRAD(Rho)y 0.6700034E-15 GRAD(Rho)z 0.8421351E-15 Laplacian 0.6093420E-01 (-1/4)Del**2(Rho)) -0.1523355E-01 Diamond 0.2483978E-02 Metallicity 0.7317741E+00 Ellipticity -0.1257935E+01 Gb(Abramov) 0.1201362E-01 Vb(Abramov) -0.8793690E-02 Hb(Abramov) 0.3219930E-02 Ex_ueg -0.2075639E-02 Ec_ueg -0.4690892E-03 Delta_ex -0.3004338E-02 Delta_ec 0.7831830E-03 Delta_et -0.5902947E-02 Pxc 0.4424827E+01 Qxc -0.3836062E+01 3,+1 152 3 -1 -0.613341 -2.803828 1.857372 Rho 0.1620884E+00 |GRAD(Rho)| 0.1622783E-13 GRAD(Rho)x -0.1567933E-13 GRAD(Rho)y 0.4126670E-14 GRAD(Rho)z 0.6868692E-15 Laplacian 0.6774672E+00 (-1/4)Del**2(Rho)) -0.1693668E+00 Diamond 0.1499042E+01 Metallicity 0.4901304E+01 Ellipticity 0.3190041E-01 Gb(Abramov) 0.2512642E+00 Vb(Abramov) -0.3331617E+00 Hb(Abramov) -0.8189743E-01 Ex_ueg -0.6527113E-01 Ec_ueg -0.9221787E-02 Delta_ex -0.7409036E-01 Delta_ec 0.1673255E-01 Delta_et -0.2247172E+00 Pxc 0.7077927E+01 Qxc -0.4427918E+01 3,-1 153 3 -1 0.797629 -1.972020 2.998956 Rho 0.1358005E+00 |GRAD(Rho)| 0.2204530E-14 GRAD(Rho)x -0.1672395E-14 GRAD(Rho)y -0.1271363E-14 GRAD(Rho)z -0.6683429E-15 Laplacian 0.5419403E+00 (-1/4)Del**2(Rho)) -0.1354851E+00 Diamond 0.9758633E+00 Metallicity 0.4562093E+01 Ellipticity 0.2760959E-01 Gb(Abramov) 0.1933393E+00 Vb(Abramov) -0.2511935E+00 Hb(Abramov) -0.5785423E-01 Ex_ueg -0.5155297E-01 Ec_ueg -0.7540836E-02 Delta_ex -0.5681762E-01 Delta_ec 0.1411539E-01 Delta_et -0.1852206E+00 Pxc 0.6836505E+01 Qxc -0.4025224E+01 3,-1 154 3 -1 1.730098 -2.964563 -0.589531 Rho 0.2211250E+00 |GRAD(Rho)| 0.8441420E-15 GRAD(Rho)x -0.7232713E-15 GRAD(Rho)y -0.2290106E-15 GRAD(Rho)z -0.3701466E-15 Laplacian 0.8648910E+00 (-1/4)Del**2(Rho)) -0.2162228E+00 Diamond 0.2740957E+01 Metallicity 0.6442409E+01 Ellipticity 0.2568121E-01 Gb(Abramov) 0.3763144E+00 Vb(Abramov) -0.5364060E+00 Hb(Abramov) -0.1600916E+00 Ex_ueg -0.9875724E-01 Ec_ueg -0.1314411E-01 Delta_ex -0.1021119E+00 Delta_ec 0.1924024E-01 Delta_et -0.2642364E+00 Pxc 0.7513423E+01 Qxc -0.5307206E+01 3,-1 155 3 -1 3.026077 1.980529 -0.845492 Rho 0.1886011E+00 |GRAD(Rho)| 0.9996406E-15 GRAD(Rho)x 0.6616073E-15 GRAD(Rho)y 0.7213468E-15 GRAD(Rho)z 0.2030169E-15 Laplacian 0.7371788E+00 (-1/4)Del**2(Rho)) -0.1842947E+00 Diamond 0.1957979E+01 Metallicity 0.5798035E+01 Ellipticity 0.4721499E-01 Gb(Abramov) 0.3009543E+00 Vb(Abramov) -0.4176140E+00 Hb(Abramov) -0.1166596E+00 Ex_ueg -0.7988112E-01 Ec_ueg -0.1095885E-01 Delta_ex -0.8375624E-01 Delta_ec 0.1751685E-01 Delta_et -0.2392052E+00 Pxc 0.7289190E+01 Qxc -0.4781467E+01 3,-1 156 3 -1 3.244055 3.192617 0.037009 Rho 0.2408262E+00 |GRAD(Rho)| 0.1494048E-11 GRAD(Rho)x -0.1016642E-11 GRAD(Rho)y -0.1055242E-11 GRAD(Rho)z -0.2916876E-12 Laplacian 0.8686079E+00 (-1/4)Del**2(Rho)) -0.2171520E+00 Diamond 0.3091577E+01 Metallicity 0.7395408E+01 Ellipticity 0.3477310E-02 Gb(Abramov) 0.4124226E+00 Vb(Abramov) -0.6076931E+00 Hb(Abramov) -0.1952706E+00 Ex_ueg -0.1106598E+00 Ec_ueg -0.1449624E-01 Delta_ex -0.1050759E+00 Delta_ec 0.1923330E-01 Delta_et -0.2667318E+00 Pxc 0.7633690E+01 Qxc -0.5463229E+01 3,-1 157 3 -1 -3.285397 -3.132514 0.091394 Rho 0.2308235E+00 |GRAD(Rho)| 0.1251953E-11 GRAD(Rho)x 0.9102011E-12 GRAD(Rho)y 0.8190784E-12 GRAD(Rho)z -0.2608274E-12 Laplacian 0.8388156E+00 (-1/4)Del**2(Rho)) -0.2097039E+00 Diamond 0.2838403E+01 Metallicity 0.7135318E+01 Ellipticity 0.2115622E-02 Gb(Abramov) 0.3891866E+00 Vb(Abramov) -0.5686693E+00 Hb(Abramov) -0.1794827E+00 Ex_ueg -0.1045743E+00 Ec_ueg -0.1380707E-01 Delta_ex -0.1003648E+00 Delta_ec 0.1882090E-01 Delta_et -0.2606288E+00 Pxc 0.7573967E+01 Qxc -0.5332626E+01 3,-1 158 3 -1 -2.756843 -0.544333 1.865046 Rho 0.1165309E+00 |GRAD(Rho)| 0.3140214E-15 GRAD(Rho)x 0.4802846E-16 GRAD(Rho)y 0.1931100E-15 GRAD(Rho)z 0.2429223E-15 Laplacian 0.4805066E+00 (-1/4)Del**2(Rho)) -0.1201267E+00 Diamond 0.7130941E+00 Metallicity 0.3987023E+01 Ellipticity 0.7520846E-02 Gb(Abramov) 0.1599091E+00 Vb(Abramov) -0.1996915E+00 Hb(Abramov) -0.3978240E-01 Ex_ueg -0.4203777E-01 Ec_ueg -0.6336883E-02 Delta_ex -0.4846629E-01 Delta_ec 0.1280772E-01 Delta_et -0.1635424E+00 Pxc 0.6633825E+01 Qxc -0.3784147E+01 3,-1 159 3 -1 -3.202732 0.041369 -3.190708 Rho 0.2325903E+00 |GRAD(Rho)| 0.1558291E-15 GRAD(Rho)x -0.1413800E-15 GRAD(Rho)y -0.2531612E-16 GRAD(Rho)z 0.6044427E-16 Laplacian 0.8622433E+00 (-1/4)Del**2(Rho)) -0.2155608E+00 Diamond 0.2932813E+01 Metallicity 0.7030226E+01 Ellipticity 0.2290311E-01 Gb(Abramov) 0.3962808E+00 Vb(Abramov) -0.5770007E+00 Hb(Abramov) -0.1807199E+00 Ex_ueg -0.1056429E+00 Ec_ueg -0.1392840E-01 Delta_ex -0.1033074E+00 Delta_ec 0.1918716E-01 Delta_et -0.2652997E+00 Pxc 0.7584712E+01 Qxc -0.5384197E+01 3,-1 160 3 -1 -2.744044 0.478283 -1.845087 Rho 0.7900842E-01 |GRAD(Rho)| 0.3358487E-15 GRAD(Rho)x -0.8601027E-16 GRAD(Rho)y 0.2949064E-15 GRAD(Rho)z 0.1357455E-15 Laplacian 0.3337652E+00 (-1/4)Del**2(Rho)) -0.8344130E-01 Diamond 0.3130579E+00 Metallicity 0.3003501E+01 Ellipticity 0.4137331E-02 Gb(Abramov) 0.9739687E-01 Vb(Abramov) -0.1113524E+00 Hb(Abramov) -0.1395557E-01 Ex_ueg -0.2503896E-01 Ec_ueg -0.4072117E-02 Delta_ex -0.3083663E-01 Delta_ec 0.9821509E-02 Delta_et -0.1160831E+00 Pxc 0.6148880E+01 Qxc -0.3139704E+01 3,-1 161 3 -1 -0.567822 1.797079 -2.771158 Rho 0.1406262E+00 |GRAD(Rho)| 0.4617397E-13 GRAD(Rho)x 0.5990976E-14 GRAD(Rho)y 0.4054050E-13 GRAD(Rho)z -0.2127467E-13 Laplacian 0.6000819E+00 (-1/4)Del**2(Rho)) -0.1500205E+00 Diamond 0.1104316E+01 Metallicity 0.4366963E+01 Ellipticity 0.3016616E-01 Gb(Abramov) 0.2092027E+00 Vb(Abramov) -0.2683848E+00 Hb(Abramov) -0.5918217E-01 Ex_ueg -0.5400989E-01 Ec_ueg -0.7846181E-02 Delta_ex -0.6320477E-01 Delta_ec 0.1506118E-01 Delta_et -0.1977764E+00 Pxc 0.6883589E+01 Qxc -0.4196534E+01 3,-1 162 3 -1 3.223537 -0.102578 -3.214770 Rho 0.2335826E+00 |GRAD(Rho)| 0.7332548E-15 GRAD(Rho)x -0.5457874E-15 GRAD(Rho)y -0.6742382E-17 GRAD(Rho)z 0.4896257E-15 Laplacian 0.8524170E+00 (-1/4)Del**2(Rho)) -0.2131043E+00 Diamond 0.2923116E+01 Metallicity 0.7161906E+01 Ellipticity 0.1783216E-01 Gb(Abramov) 0.3964416E+00 Vb(Abramov) -0.5797789E+00 Hb(Abramov) -0.1833373E+00 Ex_ueg -0.1062443E+00 Ec_ueg -0.1399663E-01 Delta_ex -0.1022921E+00 Delta_ec 0.1903192E-01 Delta_et -0.2635712E+00 Pxc 0.7590710E+01 Qxc -0.5374768E+01 3,-1 163 3 -1 2.953992 0.781629 -2.002545 Rho 0.7918815E-01 |GRAD(Rho)| 0.1066367E-14 GRAD(Rho)x -0.5251384E-15 GRAD(Rho)y -0.6888733E-15 GRAD(Rho)z -0.6219509E-15 Laplacian 0.3207676E+00 (-1/4)Del**2(Rho)) -0.8019191E-01 Diamond 0.2981416E+00 Metallicity 0.3137061E+01 Ellipticity 0.3853346E-02 Gb(Abramov) 0.9538909E-01 Vb(Abramov) -0.1105863E+00 Hb(Abramov) -0.1519718E-01 Ex_ueg -0.2511493E-01 Ec_ueg -0.4082675E-02 Delta_ex -0.2956796E-01 Delta_ec 0.9286457E-02 Delta_et -0.1096971E+00 Pxc 0.6151587E+01 Qxc -0.3183988E+01 3,-1 164 3 -1 -1.781082 -1.670947 -0.497523 Rho 0.3999432E-01 |GRAD(Rho)| 0.3235000E-14 GRAD(Rho)x -0.2130701E-14 GRAD(Rho)y 0.1040203E-14 GRAD(Rho)z -0.2200754E-14 Laplacian 0.1621353E+00 (-1/4)Del**2(Rho)) -0.4053381E-01 Diamond 0.6247204E-01 Metallicity 0.1987923E+01 Ellipticity 0.1804158E-01 Gb(Abramov) 0.4045222E-01 Vb(Abramov) -0.4037063E-01 Hb(Abramov) 0.8158941E-04 Ex_ueg -0.1010143E-01 Ec_ueg -0.1869762E-02 Delta_ex -0.1272643E-01 Delta_ec 0.5025183E-02 Delta_et -0.4996114E-01 Pxc 0.5402521E+01 Qxc -0.2532531E+01 3,-1 165 3 -1 -0.400692 0.344669 0.322882 Rho 0.1973274E+00 |GRAD(Rho)| 0.1567679E-12 GRAD(Rho)x -0.7198350E-13 GRAD(Rho)y 0.8957915E-13 GRAD(Rho)z 0.1066308E-12 Laplacian 0.6655499E+00 (-1/4)Del**2(Rho)) -0.1663875E+00 Diamond 0.2073920E+01 Metallicity 0.6924867E+01 Ellipticity 0.6846352E-02 Gb(Abramov) 0.3029602E+00 Vb(Abramov) -0.4395329E+00 Hb(Abramov) -0.1365727E+00 Ex_ueg -0.8484668E-01 Ec_ueg -0.1153936E-01 Delta_ex -0.7792615E-01 Delta_ec 0.1818238E-01 Delta_et -0.2580019E+00 Pxc 0.7352805E+01 Qxc -0.4285805E+01 3,-1 166 3 -1 0.317531 0.309424 -0.416320 Rho 0.1970825E+00 |GRAD(Rho)| 0.7394907E-13 GRAD(Rho)x -0.5250958E-13 GRAD(Rho)y -0.1806442E-13 GRAD(Rho)z 0.4883529E-13 Laplacian 0.6593890E+00 (-1/4)Del**2(Rho)) -0.1648473E+00 Diamond 0.2059676E+01 Metallicity 0.6975116E+01 Ellipticity 0.6964649E-02 Gb(Abramov) 0.3015363E+00 Vb(Abramov) -0.4382253E+00 Hb(Abramov) -0.1366890E+00 Ex_ueg -0.8470630E-01 Ec_ueg -0.1152301E-01 Delta_ex -0.7723655E-01 Delta_ec 0.1811882E-01 Delta_et -0.2573477E+00 Pxc 0.7351056E+01 Qxc -0.4262779E+01 3,-1 167 3 -1 1.644564 -0.548527 1.661379 Rho 0.3342067E-01 |GRAD(Rho)| 0.7765859E-16 GRAD(Rho)x -0.5949496E-16 GRAD(Rho)y -0.2312771E-16 GRAD(Rho)z -0.4423026E-16 Laplacian 0.1268717E+00 (-1/4)Del**2(Rho)) -0.3171793E-01 Diamond 0.3570018E-01 Metallicity 0.1883390E+01 Ellipticity 0.5677954E-01 Gb(Abramov) 0.3110149E-01 Vb(Abramov) -0.3048506E-01 Hb(Abramov) 0.6164354E-03 Ex_ueg -0.7950699E-02 Ec_ueg -0.1521362E-02 Delta_ex -0.9340041E-02 Delta_ec 0.3593978E-02 Delta_et -0.3400977E-01 Pxc 0.5226041E+01 Qxc -0.2598803E+01 3,-1 168 3 -1 -1.866668 -2.779274 0.616072 Rho 0.1104720E+00 |GRAD(Rho)| 0.5016046E-13 GRAD(Rho)x -0.3765351E-13 GRAD(Rho)y 0.8605009E-14 GRAD(Rho)z -0.3200372E-13 Laplacian 0.4549427E+00 (-1/4)Del**2(Rho)) -0.1137357E+00 Diamond 0.6354128E+00 Metallicity 0.3852508E+01 Ellipticity 0.1581855E-01 Gb(Abramov) 0.1488517E+00 Vb(Abramov) -0.1839677E+00 Hb(Abramov) -0.3511603E-01 Ex_ueg -0.3914906E-01 Ec_ueg -0.5963661E-02 Delta_ex -0.4534404E-01 Delta_ec 0.1233746E-01 Delta_et -0.1561190E+00 Pxc 0.6564602E+01 Qxc -0.3675314E+01 3,-1 169 3 -1 -0.829325 2.973897 1.989159 Rho 0.1434068E+00 |GRAD(Rho)| 0.5973989E-15 GRAD(Rho)x -0.2156614E-15 GRAD(Rho)y -0.5295108E-15 GRAD(Rho)z -0.1731877E-15 Laplacian 0.5600625E+00 (-1/4)Del**2(Rho)) -0.1400156E+00 Diamond 0.1066203E+01 Metallicity 0.4834219E+01 Ellipticity 0.5090701E-01 Gb(Abramov) 0.2061548E+00 Vb(Abramov) -0.2722940E+00 Hb(Abramov) -0.6613917E-01 Ex_ueg -0.5543850E-01 Ec_ueg -0.8022801E-02 Delta_ex -0.5939013E-01 Delta_ec 0.1419655E-01 Delta_et -0.1874023E+00 Pxc 0.6910118E+01 Qxc -0.4183419E+01 3,-1 170 3 -1 1.854232 -0.640682 -3.020932 Rho 0.2377323E+00 |GRAD(Rho)| 0.2709525E-13 GRAD(Rho)x -0.2461264E-13 GRAD(Rho)y -0.4298970E-14 GRAD(Rho)z 0.1048283E-13 Laplacian 0.9085415E+00 (-1/4)Del**2(Rho)) -0.2271354E+00 Diamond 0.3147696E+01 Metallicity 0.6919619E+01 Ellipticity 0.1309662E-01 Gb(Abramov) 0.4133719E+00 Vb(Abramov) -0.5996085E+00 Hb(Abramov) -0.1862366E+00 Ex_ueg -0.1087684E+00 Ec_ueg -0.1428250E-01 Delta_ex -0.1093420E+00 Delta_ec 0.1984730E-01 Delta_et -0.2736078E+00 Pxc 0.7615503E+01 Qxc -0.5509161E+01 3,-1 171 3 -1 2.700647 -1.862586 -0.626072 Rho 0.1421844E+00 |GRAD(Rho)| 0.4747918E-13 GRAD(Rho)x -0.9555745E-14 GRAD(Rho)y -0.3630843E-13 GRAD(Rho)z 0.2906302E-13 Laplacian 0.5871721E+00 (-1/4)Del**2(Rho)) -0.1467930E+00 Diamond 0.1122349E+01 Metallicity 0.4545704E+01 Ellipticity 0.7456281E-02 Gb(Abramov) 0.2090750E+00 Vb(Abramov) -0.2713569E+00 Hb(Abramov) -0.6228194E-01 Ex_ueg -0.5480933E-01 Ec_ueg -0.7945098E-02 Delta_ex -0.6230540E-01 Delta_ec 0.1522022E-01 Delta_et -0.2013252E+00 Pxc 0.6898509E+01 Qxc -0.4093593E+01 3,-1 172 3 -1 -1.995465 2.919562 0.847107 Rho 0.1194709E+00 |GRAD(Rho)| 0.1285004E-09 GRAD(Rho)x 0.6773612E-10 GRAD(Rho)y 0.5501514E-10 GRAD(Rho)z 0.9432656E-10 Laplacian 0.4785580E+00 (-1/4)Del**2(Rho)) -0.1196395E+00 Diamond 0.7391818E+00 Metallicity 0.4173002E+01 Ellipticity 0.1828794E-01 Gb(Abramov) 0.1629690E+00 Vb(Abramov) -0.2062985E+00 Hb(Abramov) -0.4332949E-01 Ex_ueg -0.4345781E-01 Ec_ueg -0.6518932E-02 Delta_ex -0.4865701E-01 Delta_ec 0.1285943E-01 Delta_et -0.1652118E+00 Pxc 0.6666399E+01 Qxc -0.3783761E+01 3,-1 173 3 -1 -1.680918 0.513169 1.723231 Rho 0.3403213E-01 |GRAD(Rho)| 0.1311967E-15 GRAD(Rho)x -0.7783216E-16 GRAD(Rho)y -0.4838220E-16 GRAD(Rho)z 0.9388227E-16 Laplacian 0.1373783E+00 (-1/4)Del**2(Rho)) -0.3434458E-01 Diamond 0.4200107E-01 Metallicity 0.1792710E+01 Ellipticity 0.1147036E-01 Gb(Abramov) 0.3315803E-01 Vb(Abramov) -0.3197149E-01 Hb(Abramov) 0.1186547E-02 Ex_ueg -0.8145239E-02 Ec_ueg -0.1553403E-02 Delta_ex -0.1033021E-01 Delta_ec 0.4196943E-02 Delta_et -0.3991680E-01 Pxc 0.5243480E+01 Qxc -0.2461365E+01 3,-1 174 3 -1 -0.814968 2.003767 2.979883 Rho 0.1062600E+00 |GRAD(Rho)| 0.6368325E-16 GRAD(Rho)x -0.5739495E-16 GRAD(Rho)y -0.2327647E-17 GRAD(Rho)z -0.2749469E-16 Laplacian 0.4185732E+00 (-1/4)Del**2(Rho)) -0.1046433E+00 Diamond 0.5574999E+00 Metallicity 0.3924562E+01 Ellipticity 0.2268926E-01 Gb(Abramov) 0.1382087E+00 Vb(Abramov) -0.1717741E+00 Hb(Abramov) -0.3356542E-01 Ex_ueg -0.3717160E-01 Ec_ueg -0.5705794E-02 Delta_ex -0.4133279E-01 Delta_ec 0.1144114E-01 Delta_et -0.1437123E+00 Pxc 0.6514712E+01 Qxc -0.3612647E+01 3,-1 175 3 -1 1.922141 -3.017451 0.839271 Rho 0.1271291E+00 |GRAD(Rho)| 0.5480641E-15 GRAD(Rho)x -0.1524456E-15 GRAD(Rho)y -0.1086371E-15 GRAD(Rho)z -0.5151045E-15 Laplacian 0.4959061E+00 (-1/4)Del**2(Rho)) -0.1239765E+00 Diamond 0.8345620E+00 Metallicity 0.4466379E+01 Ellipticity 0.1927895E-01 Gb(Abramov) 0.1749387E+00 Vb(Abramov) -0.2259009E+00 Hb(Abramov) -0.5096217E-01 Ex_ueg -0.4721121E-01 Ec_ueg -0.6995955E-02 Delta_ex -0.5128986E-01 Delta_ec 0.1333606E-01 Delta_et -0.1735293E+00 Pxc 0.6748359E+01 Qxc -0.3845952E+01 3,-1 176 3 -1 -0.559761 2.768501 -1.785619 Rho 0.1265371E+00 |GRAD(Rho)| 0.2443591E-15 GRAD(Rho)x 0.2315788E-15 GRAD(Rho)y -0.6663778E-16 GRAD(Rho)z -0.4052206E-16 Laplacian 0.5258242E+00 (-1/4)Del**2(Rho)) -0.1314561E+00 Diamond 0.8564735E+00 Metallicity 0.4179608E+01 Ellipticity 0.9202439E-02 Gb(Abramov) 0.1792098E+00 Vb(Abramov) -0.2269636E+00 Hb(Abramov) -0.4775378E-01 Ex_ueg -0.4691828E-01 Ec_ueg -0.6958934E-02 Delta_ex -0.5402994E-01 Delta_ec 0.1363210E-01 Delta_et -0.1763207E+00 Pxc 0.6742166E+01 Qxc -0.3963434E+01 3,-1 177 3 -1 -0.458049 -0.380288 -0.414788 Rho 0.2080119E+00 |GRAD(Rho)| 0.2601865E-15 GRAD(Rho)x -0.1088573E-15 GRAD(Rho)y -0.1322646E-15 GRAD(Rho)z -0.1958397E-15 Laplacian 0.7760984E+00 (-1/4)Del**2(Rho)) -0.1940246E+00 Diamond 0.2540490E+01 Metallicity 0.6484007E+01 Ellipticity 0.3428604E-01 Gb(Abramov) 0.3390259E+00 Vb(Abramov) -0.4840272E+00 Hb(Abramov) -0.1450013E+00 Ex_ueg -0.9102683E-01 Ec_ueg -0.1225597E-01 Delta_ex -0.9183650E-01 Delta_ec 0.2050365E-01 Delta_et -0.2915754E+00 Pxc 0.7427144E+01 Qxc -0.4479031E+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 76 117 152 153 86 79 83 177 166 165 120 161 176 119 123 124 110 121 122 174 169 126 144 171 154 101 175 100 128 148 131 155 132 156 111 57 103 59 172 139 164 105 168 104 61 157 63 160 150 106 149 159 173 158 68 56 109 141 167 94 93 136 147 138 88 133 170 163 91 162 143 80 125 78 115 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 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1.883674 1.962001 1.917391 1.740726 1.573200 1.544390 1.570734 1.569858 2.452028 1.912074 1.958284 1.921336 1.976415 1.730598 2.482255 1.920541 1.874545 2.039424 1.919721 1.734357 2.456920 1.934188 1.772300 2.121668 1.989522 1.750051 2.543809 1.933121 2.020318 1.835051 1.927518 1.742436 2.419991 1.824727 1.926834 1.971095 2.015624 1.748022 2.442331 1.910527 2.013241 1.920938 1.935061 1.731063 2.348675 2.170856 1.964556 1.975195 1.753038 1.755592 2.515305 1.993110 1.927998 1.938293 1.887727 1.731605 2.547830 1.940665 1.970800 1.859629 1.934727 1.741247 2.475915 1.934438 1.747265 2.180416 1.991540 1.754079 3.105878 3.109580 3.277408 1.717272 1.008364 29 23 23 23 26 22 24 21 22 22 27 24 24 23 28 23 29 27 26 24 23 23 29 25 22 25 24 22 29 23 25 23 23 21 29 22 23 23 27 21 27 23 23 23 25 22 27 25 23 27 21 22 29 23 25 23 28 20 29 25 25 22 26 20 29 23 22 27 25 23 33 33 35 24 20 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 W P Mo Mo W W W Mo W Mo 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 H 2.4550 2.2968 2.3105 2.3094 2.3884 2.4309 2.4290 2.3117 2.3756 2.3004 2.4504 2.3364 -1.0509 -0.9884 -1.0468 -1.0424 -0.9001 -0.9912 -0.9253 -0.9717 -0.7600 -0.9306 -0.9398 -0.9255 -0.9339 -0.9314 -0.9167 -0.8323 -0.9590 -0.9485 -0.9431 -0.9385 -0.9748 -0.9388 -0.9037 -0.7867 -0.7598 -0.9376 -0.9812 -0.9380 -0.8001 -0.8341 -0.7194 -0.7348 -0.8259 -0.8061 -0.8175 -0.7205 -0.8296 -0.7267 -0.8050 0.3217 2.0888 2.5130 1.9624 1.9580 2.1208 2.0991 2.0977 1.9803 2.1293 1.9451 2.0943 2.1336 1.8957 1.9000 1.8976 1.8951 1.9401 1.9308 1.9427 1.9311 1.9686 1.9362 1.9356 1.9361 1.9354 1.9352 1.9400 1.9622 1.9441 1.9434 1.9476 1.9449 1.9399 1.9439 1.9472 1.9603 1.8790 1.9463 1.9401 1.9418 1.9644 1.9590 1.9759 1.9737 1.9606 1.9636 1.9615 1.9750 1.9577 1.9750 1.9641 0.5233 6.0956 7.3668 6.0879 6.0867 6.1117 6.1015 6.1002 6.0810 6.1011 6.0925 6.0982 6.1197 5.1164 5.0491 5.1105 5.1081 4.9347 5.0306 4.9522 5.0109 4.7554 4.9674 4.9766 4.9614 4.9706 4.9672 4.9488 4.8368 4.9845 4.9751 4.9645 4.9641 5.0031 4.9653 4.9287 4.7927 4.8526 4.9633 5.0090 4.9664 4.8005 4.8420 4.7103 4.7286 4.8316 4.8075 4.8219 4.7126 4.8390 4.7187 4.8058 0.1549 3.3309 0.8235 3.6393 3.6458 3.3505 3.3394 3.3434 3.6270 3.3654 3.6620 3.3279 3.3821 0.0387 0.0393 0.0387 0.0392 0.0252 0.0298 0.0305 0.0297 0.0360 0.0270 0.0276 0.0279 0.0278 0.0290 0.0279 0.0333 0.0304 0.0300 0.0310 0.0295 0.0318 0.0296 0.0278 0.0336 0.0283 0.0280 0.0320 0.0297 0.0352 0.0331 0.0331 0.0325 0.0337 0.0350 0.0341 0.0330 0.0329 0.0330 0.0351 0.0000 14.0296 0.0000 0.0000 0.0000 14.0287 14.0292 14.0296 0.0000 14.0286 0.0000 14.0293 14.0282 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 W P Mo Mo W W W Mo W Mo 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 H 2.512237 2.004214 3.180044 3.179093 2.483552 2.501560 2.500619 3.187301 2.497553 3.175859 2.505988 2.468634 -1.030678 -1.015989 -1.064574 -1.097040 -1.183914 -0.978806 -0.945153 -0.967467 -0.821513 -1.089493 -1.083174 -1.079762 -1.078052 -1.053103 -1.091341 -0.794190 -0.954331 -1.072218 -0.945929 -1.068749 -0.958911 -1.072213 -1.167249 -0.835610 -0.730133 -1.078602 -0.960429 -1.061271 -0.834502 -0.879111 -0.989908 -1.006891 -0.869038 -0.842294 -0.856964 -0.989231 -0.872817 -0.996969 -0.841078 0.062044 1.947327 1.578008 2.366689 2.368523 1.919610 1.946161 1.941135 2.362620 1.957004 2.371363 1.940486 1.933189 -0.739587 -0.760955 -0.788358 -0.844419 -0.915581 -0.722950 -0.732963 -0.719395 -0.707718 -0.828786 -0.813661 -0.822592 -0.820839 -0.811816 -0.838065 -0.662830 -0.797737 -0.850329 -0.794496 -0.863317 -0.775639 -0.865254 -0.952329 -0.733991 -0.863024 -0.878154 -0.780760 -0.861287 -0.733951 -0.786620 -0.771804 -0.784111 -0.778971 -0.737748 -0.750660 -0.754179 -0.781868 -0.771243 -0.743151 0.309019 2.052478 1.547173 2.460569 2.456511 2.011087 2.045683 2.040004 2.505458 2.043999 2.462006 2.045080 2.018152 -0.799843 -0.826713 -0.837084 -0.878197 -0.999027 -0.803818 -0.794377 -0.813335 -0.717669 -0.904948 -0.907727 -0.899011 -0.894749 -0.929851 -0.907460 -0.741285 -0.828431 -0.896519 -0.822398 -0.909027 -0.805900 -0.915362 -0.984341 -0.723390 -0.916614 -0.922976 -0.824524 -0.893515 -0.696852 -0.756628 -0.733740 -0.742450 -0.747393 -0.703334 -0.710506 -0.740430 -0.760717 -0.730926 -0.711632 0.444498 -1.44089739 0.08852473 3.07686405 3.39869303 -17.26348372 7.72286738 -5.52205187 14.34354688 6.44728710 2.91993684 -365.5019 401.3042 -63.6995 -382.0333 -42.8656 -452.7962 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 0 Apr29-2024 21:00:55 Nodes: 1 Procs: 1 Apr29-2024 21:00:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr29-2024 21:00:57 Nodes: 1 Procs: 1 Apr29-2024 21:00:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr29-2024 21:00:58 Nodes: 1 Procs: 1 Apr29-2024 21:00:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr29-2024 21:00:58 Nodes: 1 Procs: 1 Apr29-2024 21:00:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr29-2024 21:01:01 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -15.96203331 -16.40632257 -16.17477102 -16.42582190 -16.55866654 -16.59199241 -16.60774889 -16.61252784 -16.61682012 -16.62249959 -16.62768953 -16.62915067 -16.63509473 -16.63780852 -16.63834054 -16.63889133 -16.63910933 -16.63931509 -16.63942018 -16.63959650 -16.63971699 -16.63981791 -16.63988197 -16.63991228 -16.63992876 -16.63994567 -16.63995454 GEOMETRY CONVERGED