ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:34:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.04 1.67 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 Jun12-2024 02:34:05 Nodes: 1 Procs: 1 Jun12-2024 02:34:07 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:34:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.06 2.56 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun12-2024 02:34:05 Nodes: 1 Procs: 1 Jun12-2024 02:34:07 Nodes: 1 Procs: 1 0 Jun12-2024 02:34:09 Nodes: 1 Procs: 1 Jun12-2024 02:34:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:34:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.58 0.06 2.53 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 Jun12-2024 02:34:05 Nodes: 1 Procs: 1 Jun12-2024 02:34:07 Nodes: 1 Procs: 1 0 Jun12-2024 02:34:09 Nodes: 1 Procs: 1 Jun12-2024 02:34:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 02:34:14 Nodes: 1 Procs: 1 Jun12-2024 02:34:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:34:19 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.24 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 Jun12-2024 02:34:05 Nodes: 1 Procs: 1 Jun12-2024 02:34:07 Nodes: 1 Procs: 1 0 Jun12-2024 02:34:09 Nodes: 1 Procs: 1 Jun12-2024 02:34:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 02:34:14 Nodes: 1 Procs: 1 Jun12-2024 02:34:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 02:34:19 Nodes: 1 Procs: 1 Jun12-2024 02:34:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:34:22 Hydrogen (TZP) c2-1 c2-1 c2-1 c2-1 c2-1 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.07 3.09 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 Jun12-2024 02:34:05 Nodes: 1 Procs: 1 Jun12-2024 02:34:07 Nodes: 1 Procs: 1 0 Jun12-2024 02:34:09 Nodes: 1 Procs: 1 Jun12-2024 02:34:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 02:34:14 Nodes: 1 Procs: 1 Jun12-2024 02:34:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 02:34:19 Nodes: 1 Procs: 1 Jun12-2024 02:34:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 02:34:22 Nodes: 1 Procs: 1 Jun12-2024 02:34:24 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:34:29 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2105.838199999998 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224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.039 -6.987 -6.947 -6.899 -6.892 -6.850 -6.788 -6.771 -6.603 -6.544 -4.228 -4.141 -3.917 -3.785 -3.683 -3.464 -3.437 -3.418 -3.310 -3.222 A A A A A A A A A A A A A A A A A A A A 0.00000000079966 0.00039405923707 0.00022836747008 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 42 42 42 42 42 42 42 33 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 0.101389 -2.635141 2.472893 -0.079169 2.568917 2.541653 2.533030 -2.581474 -0.009015 2.590122 2.544326 -0.043670 -2.740320 -2.469898 -0.114292 -2.552045 -0.068174 -2.615072 -2.498752 0.091384 2.651119 -0.068989 -0.062914 -0.052710 0.152278 2.527462 -2.500262 -2.574914 2.476304 0.157144 2.537336 -0.193159 2.581896 2.635819 0.128087 -2.558936 0.957503 -1.006178 0.936856 -1.079905 -1.003632 -1.013980 0.965015 0.925531 -0.999684 -0.977694 0.959638 0.981158 -3.044789 -1.142604 1.226747 3.109307 -1.105798 -1.139572 -3.011816 1.086878 -1.133891 2.993146 1.199533 1.212808 1.378187 -1.212224 -3.102953 1.137583 1.195935 2.982004 -1.129581 1.067177 -3.056000 -1.152553 -1.138121 3.058278 -1.162302 2.899840 -1.178762 -1.188101 -2.977688 1.177288 1.128684 3.064753 1.116063 1.248803 -3.060998 -1.151969 3.421039 -1.462179 1.562335 -3.568438 -1.520967 -1.471991 3.435771 1.553582 -1.474879 -3.435612 1.497434 1.539404 1.452664 -1.479999 3.445317 1.544320 1.478047 -3.417131 -1.532421 1.579405 3.428042 -1.936115 -1.667311 -3.505436 -1.647962 -3.547013 -1.379552 -1.530433 3.415455 1.469011 1.563974 -3.421648 1.555903 1.519459 3.403078 -1.525859 -0.220541 -3.800930 3.701392 3.901899 -0.074569 -3.724017 -0.190839 3.706282 -3.722139 0.223459 3.790513 3.718102 3.794909 -3.746875 -0.218033 3.758872 3.767312 0.270166 -3.768704 3.679425 -0.208686 -3.936201 -3.644727 0.291549 -3.779194 0.385822 -3.736554 -3.698365 -0.193621 3.854981 3.698857 0.173193 3.816101 -1.678458 -2.399384 -2.877057 -0.679233 -3.405829 -1.219907 1.156223 -1.933256 -2.443900 1 3 -3 0.101389 -2.635141 2.472893 Rho 0.1240648E+06 3,-3 2 3 -3 -0.079169 2.568917 2.541653 Rho 0.1240649E+06 3,-3 3 3 -3 2.533030 -2.581474 -0.009015 Rho 0.1240648E+06 3,-3 4 3 -3 2.590122 2.544326 -0.043670 Rho 0.1240649E+06 3,-3 5 3 -3 -2.740320 -2.469898 -0.114292 Rho 0.1240649E+06 3,-3 6 3 -3 -2.552045 -0.068174 -2.615072 Rho 0.1240648E+06 3,-3 7 3 -3 -2.498752 0.091384 2.651119 Rho 0.1240648E+06 3,-3 8 3 -3 -0.068989 -0.062914 -0.052710 Rho 0.4276083E+05 3,-3 9 3 -3 0.152278 2.527462 -2.500262 Rho 0.4361414E+07 3,-3 10 3 -3 -2.574914 2.476304 0.157144 Rho 0.4361414E+07 3,-3 11 3 -3 2.537336 -0.193159 2.581896 Rho 0.4361414E+07 3,-3 12 3 -3 2.635819 0.128087 -2.558936 Rho 0.4361414E+07 3,-3 13 3 -3 0.957503 -1.006178 0.936856 Rho 0.3190219E+03 3,-3 14 3 -3 -1.079905 -1.003632 -1.013980 Rho 0.3191067E+03 3,-3 15 3 -3 0.965015 0.925531 -0.999684 Rho 0.3190037E+03 3,-3 16 3 -3 -0.977694 0.959638 0.981158 Rho 0.3190056E+03 3,-3 17 3 -3 -3.044789 -1.142604 1.226747 Rho 0.3190072E+03 3,-3 18 3 -3 3.109307 -1.105798 -1.139572 Rho 0.3189234E+03 3,-3 19 3 -3 -3.011816 1.086878 -1.133891 Rho 0.3189413E+03 3,-3 20 3 -3 2.993146 1.199533 1.212808 Rho 0.3189759E+03 3,-3 21 3 -3 1.378187 -1.212224 -3.102953 Rho 0.3187342E+03 3,-3 22 3 -3 1.137583 1.195935 2.982004 Rho 0.3189859E+03 3,-3 23 3 -3 -1.129581 1.067177 -3.056000 Rho 0.3189847E+03 3,-3 24 3 -3 -1.152553 -1.138121 3.058278 Rho 0.3190548E+03 3,-3 25 3 -3 -1.162302 2.899840 -1.178762 Rho 0.3188791E+03 3,-3 26 3 -3 -1.188101 -2.977688 1.177288 Rho 0.3190595E+03 3,-3 27 3 -3 1.128684 3.064753 1.116063 Rho 0.3190176E+03 3,-3 28 3 -3 1.248803 -3.060998 -1.151969 Rho 0.3193129E+03 3,-3 29 3 -3 3.421039 -1.462179 1.562335 Rho 0.3190677E+03 3,-3 30 3 -3 -3.568438 -1.520967 -1.471991 Rho 0.3191536E+03 3,-3 31 3 -3 3.435771 1.553582 -1.474879 Rho 0.3190413E+03 3,-3 32 3 -3 -3.435612 1.497434 1.539404 Rho 0.3190416E+03 3,-3 33 3 -3 1.452664 -1.479999 3.445317 Rho 0.3190280E+03 3,-3 34 3 -3 1.544320 1.478047 -3.417131 Rho 0.3189722E+03 3,-3 35 3 -3 -1.532421 1.579405 3.428042 Rho 0.3191006E+03 3,-3 36 3 -3 -1.936115 -1.667311 -3.505436 Rho 0.3188350E+03 3,-3 37 3 -3 -1.647962 -3.547013 -1.379552 Rho 0.3187967E+03 3,-3 38 3 -3 -1.530433 3.415455 1.469011 Rho 0.3190403E+03 3,-3 39 3 -3 1.563974 -3.421648 1.555903 Rho 0.3190967E+03 3,-3 40 3 -3 1.519459 3.403078 -1.525859 Rho 0.3190363E+03 3,-3 41 3 -3 -0.220541 -3.800930 3.701392 Rho 0.3194971E+03 3,-3 42 3 -3 3.901899 -0.074569 -3.724017 Rho 0.3193526E+03 3,-3 43 3 -3 -0.190839 3.706282 -3.722139 Rho 0.3193678E+03 3,-3 44 3 -3 0.223459 3.790513 3.718102 Rho 0.3195004E+03 3,-3 45 3 -3 3.794909 -3.746875 -0.218033 Rho 0.3194653E+03 3,-3 46 3 -3 3.758872 3.767312 0.270166 Rho 0.3195072E+03 3,-3 47 3 -3 -3.768704 3.679425 -0.208686 Rho 0.3193580E+03 3,-3 48 3 -3 -3.936201 -3.644727 0.291549 Rho 0.3194938E+03 3,-3 49 3 -3 -3.779194 0.385822 -3.736554 Rho 0.3195020E+03 3,-3 50 3 -3 -3.698365 -0.193621 3.854981 Rho 0.3194991E+03 3,-3 51 3 -3 3.698857 0.173193 3.816101 Rho 0.3193521E+03 3,-3 52 3 -3 -1.678458 -2.399384 -2.877057 Rho 0.4407905E+00 3,-3 53 3 -3 -0.679233 -3.405829 -1.219907 Rho 0.4486366E+00 3,-3 54 3 -3 1.156223 -1.933256 -2.443900 Rho 0.4346956E+00 3,-3 55 3 +1 -0.533969 -0.567583 1.680955 Rho 0.8262257E-02 |GRAD(Rho)| 0.9221690E-13 GRAD(Rho)x -0.7011688E-13 GRAD(Rho)y 0.4580036E-13 GRAD(Rho)z -0.3859931E-13 Laplacian 0.3202764E-01 (-1/4)Del**2(Rho)) -0.8006909E-02 Diamond 0.8176008E-03 Metallicity 0.7265287E+00 Ellipticity -0.1442992E+01 Gb(Abramov) 0.6307481E-02 Vb(Abramov) -0.4608053E-02 Hb(Abramov) 0.1699428E-02 Ex_ueg -0.1233626E-02 Ec_ueg -0.2898940E-03 Delta_ex -0.1451277E-02 Delta_ec 0.4558003E-03 Delta_et -0.3079196E-02 Pxc 0.4255437E+01 Qxc -0.3184019E+01 3,+1 56 3 +1 -2.933347 0.147564 0.221102 Rho 0.5519271E-02 |GRAD(Rho)| 0.8874286E-15 GRAD(Rho)x -0.6061631E-16 GRAD(Rho)y 0.6942511E-15 GRAD(Rho)z 0.5494274E-15 Laplacian 0.2285063E-01 (-1/4)Del**2(Rho)) -0.5712657E-02 Diamond 0.5695457E-03 Metallicity 0.5198179E+00 Ellipticity -0.2459128E+01 Gb(Abramov) 0.4303362E-02 Vb(Abramov) -0.2894066E-02 Hb(Abramov) 0.1409296E-02 Ex_ueg -0.7203785E-03 Ec_ueg -0.1693272E-03 Delta_ex -0.1126352E-02 Delta_ec 0.6627937E-03 Delta_et -0.3730491E-02 Pxc 0.4254359E+01 Qxc -0.1699401E+01 3,+1 57 3 +1 -1.691779 0.535433 -0.501253 Rho 0.9932832E-02 |GRAD(Rho)| 0.2360128E-16 GRAD(Rho)x -0.6193902E-17 GRAD(Rho)y 0.1579304E-16 GRAD(Rho)z 0.1640842E-16 Laplacian 0.3826949E-01 (-1/4)Del**2(Rho)) -0.9567374E-02 Diamond 0.1232799E-02 Metallicity 0.8264481E+00 Ellipticity -0.1511415E+01 Gb(Abramov) 0.7696072E-02 Vb(Abramov) -0.5824770E-02 Hb(Abramov) 0.1871302E-02 Ex_ueg -0.1576942E-02 Ec_ueg -0.3650025E-03 Delta_ex -0.1808541E-02 Delta_ec 0.5293478E-03 Delta_et -0.3761025E-02 Pxc 0.4320360E+01 Qxc -0.3416545E+01 3,+1 58 3 -1 -2.006207 2.960470 0.854821 Rho 0.1511332E+00 |GRAD(Rho)| 0.2507183E-14 GRAD(Rho)x -0.1339843E-14 GRAD(Rho)y -0.8122978E-15 GRAD(Rho)z -0.1957283E-14 Laplacian 0.5922399E+00 (-1/4)Del**2(Rho)) -0.1480600E+00 Diamond 0.1216224E+01 Metallicity 0.4989406E+01 Ellipticity 0.4727434E-01 Gb(Abramov) 0.2218285E+00 Vb(Abramov) -0.2955971E+00 Hb(Abramov) -0.7376856E-01 Ex_ueg -0.5945637E-01 Ec_ueg -0.8516097E-02 Delta_ex -0.6376962E-01 Delta_ec 0.1508909E-01 Delta_et -0.2012866E+00 Pxc 0.6981645E+01 Qxc -0.4226206E+01 3,-1 59 3 +1 -2.933646 -0.200135 -0.129276 Rho 0.5544677E-02 |GRAD(Rho)| 0.1665712E-15 GRAD(Rho)x -0.1460545E-16 GRAD(Rho)y -0.1340331E-15 GRAD(Rho)z -0.9781502E-16 Laplacian 0.2288533E-01 (-1/4)Del**2(Rho)) -0.5721333E-02 Diamond 0.5803886E-03 Metallicity 0.5230177E+00 Ellipticity -0.2768270E+01 Gb(Abramov) 0.4312948E-02 Vb(Abramov) -0.2904564E-02 Hb(Abramov) 0.1408385E-02 Ex_ueg -0.7248032E-03 Ec_ueg -0.1704273E-03 Delta_ex -0.1134317E-02 Delta_ec 0.6731034E-03 Delta_et -0.3789659E-02 Pxc 0.4252859E+01 Qxc -0.1685205E+01 3,+1 60 3 -1 -3.063948 -0.825783 -2.003235 Rho 0.9045383E-01 |GRAD(Rho)| 0.2819372E-13 GRAD(Rho)x -0.2330933E-13 GRAD(Rho)y 0.4751272E-14 GRAD(Rho)z -0.1513229E-13 Laplacian 0.3389634E+00 (-1/4)Del**2(Rho)) -0.8474084E-01 Diamond 0.3730807E+00 Metallicity 0.3705431E+01 Ellipticity 0.8408174E-03 Gb(Abramov) 0.1088275E+00 Vb(Abramov) -0.1329141E+00 Hb(Abramov) -0.2408661E-01 Ex_ueg -0.2998847E-01 Ec_ueg -0.4750503E-02 Delta_ex -0.3226748E-01 Delta_ec 0.9646462E-02 Delta_et -0.1173802E+00 Pxc 0.6312694E+01 Qxc -0.3345007E+01 3,-1 61 3 -1 -2.936578 -0.045451 0.027514 Rho 0.5575614E-02 |GRAD(Rho)| 0.1398617E-12 GRAD(Rho)x 0.2624954E-13 GRAD(Rho)y -0.1349962E-12 GRAD(Rho)z 0.2546186E-13 Laplacian 0.2244738E-01 (-1/4)Del**2(Rho)) -0.5611844E-02 Diamond 0.6912677E-03 Metallicity 0.5381897E+00 Ellipticity 0.2745637E+01 Gb(Abramov) 0.4244602E-02 Vb(Abramov) -0.2877360E-02 Hb(Abramov) 0.1367242E-02 Ex_ueg -0.7302002E-03 Ec_ueg -0.1717673E-03 Delta_ex -0.1208371E-02 Delta_ec 0.8289766E-03 Delta_et -0.4602920E-02 Pxc 0.4251102E+01 Qxc -0.1457666E+01 3,-1 62 3 -1 -3.208727 0.173052 -3.214323 Rho 0.2356130E+00 |GRAD(Rho)| 0.5496193E-14 GRAD(Rho)x -0.1685772E-14 GRAD(Rho)y -0.3934082E-14 GRAD(Rho)z 0.3448088E-14 Laplacian 0.8622388E+00 (-1/4)Del**2(Rho)) -0.2155597E+00 Diamond 0.2980464E+01 Metallicity 0.7183197E+01 Ellipticity 0.2692950E-02 Gb(Abramov) 0.4017744E+00 Vb(Abramov) -0.5879892E+00 Hb(Abramov) -0.1862147E+00 Ex_ueg -0.1074775E+00 Ec_ueg -0.1413638E-01 Delta_ex -0.1036645E+00 Delta_ec 0.1913146E-01 Delta_et -0.2647389E+00 Pxc 0.7602899E+01 Qxc -0.5418534E+01 3,-1 63 3 -1 -3.140517 -0.059965 3.294699 Rho 0.2359340E+00 |GRAD(Rho)| 0.2617700E-13 GRAD(Rho)x 0.1560015E-13 GRAD(Rho)y -0.8614935E-15 GRAD(Rho)z -0.2100306E-13 Laplacian 0.8488122E+00 (-1/4)Del**2(Rho)) -0.2122030E+00 Diamond 0.2951203E+01 Metallicity 0.7313394E+01 Ellipticity 0.2843514E-02 Gb(Abramov) 0.4001228E+00 Vb(Abramov) -0.5880425E+00 Hb(Abramov) -0.1879197E+00 Ex_ueg -0.1076727E+00 Ec_ueg -0.1415849E-01 Delta_ex -0.1021536E+00 Delta_ec 0.1894599E-01 Delta_et -0.2627050E+00 Pxc 0.7604815E+01 Qxc -0.5391834E+01 3,-1 64 3 -1 -1.873058 -1.700455 -0.547736 Rho 0.4524062E-01 |GRAD(Rho)| 0.5001115E-16 GRAD(Rho)x 0.1935004E-16 GRAD(Rho)y 0.3981182E-16 GRAD(Rho)z 0.2327467E-16 Laplacian 0.1852018E+00 (-1/4)Del**2(Rho)) -0.4630045E-01 Diamond 0.8355385E-01 Metallicity 0.2137218E+01 Ellipticity 0.1163100E-01 Gb(Abramov) 0.4735933E-01 Vb(Abramov) -0.4841820E-01 Hb(Abramov) -0.1058874E-02 Ex_ueg -0.1190574E-01 Ec_ueg -0.2153532E-02 Delta_ex -0.1494577E-01 Delta_ec 0.5663617E-02 Delta_et -0.5819908E-01 Pxc 0.5528470E+01 Qxc -0.2638909E+01 3,-1 65 3 +1 -0.613134 -1.663266 0.515309 Rho 0.9061706E-02 |GRAD(Rho)| 0.7352280E-17 GRAD(Rho)x 0.7119643E-17 GRAD(Rho)y 0.1255078E-17 GRAD(Rho)z 0.1338464E-17 Laplacian 0.3443791E-01 (-1/4)Del**2(Rho)) -0.8609477E-02 Diamond 0.1041185E-02 Metallicity 0.7881212E+00 Ellipticity -0.1570271E+01 Gb(Abramov) 0.6870537E-02 Vb(Abramov) -0.5131596E-02 Hb(Abramov) 0.1738941E-02 Ex_ueg -0.1395292E-02 Ec_ueg -0.3256851E-03 Delta_ex -0.1615905E-02 Delta_ec 0.5232181E-03 Delta_et -0.3593646E-02 Pxc 0.4284174E+01 Qxc -0.3088397E+01 3,+1 66 3 +1 -0.555342 0.506514 -1.691276 Rho 0.9147554E-02 |GRAD(Rho)| 0.7477666E-17 GRAD(Rho)x 0.7288884E-18 GRAD(Rho)y -0.3804812E-17 GRAD(Rho)z 0.6395906E-17 Laplacian 0.3554307E-01 (-1/4)Del**2(Rho)) -0.8885768E-02 Diamond 0.1051953E-02 Metallicity 0.7757109E+00 Ellipticity -0.1497098E+01 Gb(Abramov) 0.7072643E-02 Vb(Abramov) -0.5259518E-02 Hb(Abramov) 0.1813125E-02 Ex_ueg -0.1412944E-02 Ec_ueg -0.3295453E-03 Delta_ex -0.1656551E-02 Delta_ec 0.5129363E-03 Delta_et -0.3551683E-02 Pxc 0.4287558E+01 Qxc -0.3229546E+01 3,+1 67 3 -1 -2.780227 0.538536 -1.827633 Rho 0.1339316E+00 |GRAD(Rho)| 0.2265967E-15 GRAD(Rho)x -0.1433180E-17 GRAD(Rho)y 0.5044251E-16 GRAD(Rho)z 0.2209062E-15 Laplacian 0.5615417E+00 (-1/4)Del**2(Rho)) -0.1403854E+00 Diamond 0.9830689E+00 Metallicity 0.4302324E+01 Ellipticity 0.8065849E-02 Gb(Abramov) 0.1942542E+00 Vb(Abramov) -0.2481230E+00 Hb(Abramov) -0.5386880E-01 Ex_ueg -0.5060918E-01 Ec_ueg -0.7422985E-02 Delta_ex -0.5854336E-01 Delta_ec 0.1443914E-01 Delta_et -0.1885981E+00 Pxc 0.6817902E+01 Qxc -0.4054492E+01 3,-1 68 3 +1 1.073036 -1.368807 2.159595 Rho 0.2634118E-01 |GRAD(Rho)| 0.6471071E-16 GRAD(Rho)x -0.1745641E-16 GRAD(Rho)y -0.5929456E-16 GRAD(Rho)z 0.1915477E-16 Laplacian 0.1039600E+00 (-1/4)Del**2(Rho)) -0.2599001E-01 Diamond 0.1446144E-01 Metallicity 0.1545748E+01 Ellipticity -0.3562547E+01 Gb(Abramov) 0.2402234E-01 Vb(Abramov) -0.2205467E-01 Hb(Abramov) 0.1967670E-02 Ex_ueg -0.5788490E-02 Ec_ueg -0.1156475E-02 Delta_ex -0.6541612E-02 Delta_ec 0.1737032E-02 Delta_et -0.1553476E-01 Pxc 0.5005289E+01 Qxc -0.3765971E+01 3,+1 69 3 -1 -2.970878 0.829079 2.052484 Rho 0.1110409E+00 |GRAD(Rho)| 0.4387317E-15 GRAD(Rho)x 0.2023968E-15 GRAD(Rho)y -0.2076450E-15 GRAD(Rho)z 0.3292485E-15 Laplacian 0.4325155E+00 (-1/4)Del**2(Rho)) -0.1081289E+00 Diamond 0.6056643E+00 Metallicity 0.4087109E+01 Ellipticity 0.2897155E-01 Gb(Abramov) 0.1457417E+00 Vb(Abramov) -0.1833545E+00 Hb(Abramov) -0.3761279E-01 Ex_ueg -0.3941808E-01 Ec_ueg -0.5998589E-02 Delta_ex -0.4312878E-01 Delta_ec 0.1165783E-01 Delta_et -0.1475743E+00 Pxc 0.6571225E+01 Qxc -0.3699554E+01 3,-1 70 3 +1 1.669654 0.519059 0.527066 Rho 0.7577445E-02 |GRAD(Rho)| 0.1346970E-16 GRAD(Rho)x -0.1052268E-16 GRAD(Rho)y 0.1058053E-17 GRAD(Rho)z -0.8341845E-17 Laplacian 0.2984199E-01 (-1/4)Del**2(Rho)) -0.7460498E-02 Diamond 0.6860897E-03 Metallicity 0.6750303E+00 Ellipticity -0.1407455E+01 Gb(Abramov) 0.5813009E-02 Vb(Abramov) -0.4165520E-02 Hb(Abramov) 0.1647489E-02 Ex_ueg -0.1099214E-02 Ec_ueg -0.2594631E-03 Delta_ex -0.1327977E-02 Delta_ec 0.4331856E-03 Delta_et -0.2854442E-02 Pxc 0.4236493E+01 Qxc -0.3065608E+01 3,+1 71 3 +1 -2.302383 -1.076396 -1.392728 Rho 0.2609312E-01 |GRAD(Rho)| 0.1358379E-16 GRAD(Rho)x -0.2141989E-17 GRAD(Rho)y -0.7974306E-17 GRAD(Rho)z -0.1078617E-16 Laplacian 0.1027028E+00 (-1/4)Del**2(Rho)) -0.2567570E-01 Diamond 0.1368128E-01 Metallicity 0.1540190E+01 Ellipticity -0.3029411E+01 Gb(Abramov) 0.2370804E-01 Vb(Abramov) -0.2174038E-01 Hb(Abramov) 0.1967657E-02 Ex_ueg -0.5715923E-02 Ec_ueg -0.1143907E-02 Delta_ex -0.6402990E-02 Delta_ec 0.1639054E-02 Delta_et -0.1464080E-01 Pxc 0.4996842E+01 Qxc -0.3906515E+01 3,+1 72 3 +1 -2.293378 -2.215581 -2.023295 Rho 0.1191256E-01 |GRAD(Rho)| 0.2572852E-14 GRAD(Rho)x -0.1189051E-14 GRAD(Rho)y 0.1632916E-14 GRAD(Rho)z -0.1593521E-14 Laplacian 0.5245788E-01 (-1/4)Del**2(Rho)) -0.1311447E-01 Diamond 0.1956548E-02 Metallicity 0.8162274E+00 Ellipticity -0.1328848E+01 Gb(Abramov) 0.1052704E-01 Vb(Abramov) -0.7939620E-02 Hb(Abramov) 0.2587425E-02 Ex_ueg -0.2009364E-02 Ec_ueg -0.4555341E-03 Delta_ex -0.2537246E-02 Delta_ec 0.6160523E-03 Delta_et -0.4661136E-02 Pxc 0.4411007E+01 Qxc -0.4118556E+01 3,+1 73 3 -1 -3.160917 -1.956708 -0.837488 Rho 0.1690270E+00 |GRAD(Rho)| 0.1079178E-15 GRAD(Rho)x 0.9943489E-16 GRAD(Rho)y 0.4594307E-17 GRAD(Rho)z 0.4168757E-16 Laplacian 0.6570659E+00 (-1/4)Del**2(Rho)) -0.1642665E+00 Diamond 0.1519825E+01 Metallicity 0.5419148E+01 Ellipticity 0.9690593E-01 Gb(Abramov) 0.2578751E+00 Vb(Abramov) -0.3514836E+00 Hb(Abramov) -0.9360857E-01 Ex_ueg -0.6902289E-01 Ec_ueg -0.9672443E-02 Delta_ex -0.7253662E-01 Delta_ec 0.1591624E-01 Delta_et -0.2144443E+00 Pxc 0.7136035E+01 Qxc -0.4557395E+01 3,-1 74 3 +3 -2.372247 -0.006960 0.077276 Rho 0.4882426E-02 |GRAD(Rho)| 0.8620344E-17 GRAD(Rho)x -0.2571749E-17 GRAD(Rho)y 0.6741656E-17 GRAD(Rho)z -0.4716622E-17 Laplacian 0.1997463E-01 (-1/4)Del**2(Rho)) -0.4993658E-02 Diamond 0.1966802E-03 Metallicity 0.4847605E+00 Ellipticity -0.3483717E+00 Gb(Abramov) 0.3732560E-02 Vb(Abramov) -0.2471462E-02 Hb(Abramov) 0.1261098E-02 Ex_ueg -0.6117387E-03 Ec_ueg -0.1418566E-03 Delta_ex -0.7446732E-03 Delta_ec 0.1935151E-03 Delta_et -0.1219975E-02 Pxc 0.4312373E+01 Qxc -0.3848141E+01 3,+3 75 3 -1 -2.880017 -1.767040 0.597519 Rho 0.1413116E+00 |GRAD(Rho)| 0.2079726E-15 GRAD(Rho)x 0.9834730E-16 GRAD(Rho)y -0.5941428E-16 GRAD(Rho)z -0.1733504E-15 Laplacian 0.5854608E+00 (-1/4)Del**2(Rho)) -0.1463652E+00 Diamond 0.1090405E+01 Metallicity 0.4512443E+01 Ellipticity 0.2163817E-01 Gb(Abramov) 0.2076543E+00 Vb(Abramov) -0.2689433E+00 Hb(Abramov) -0.6128905E-01 Ex_ueg -0.5436118E-01 Ec_ueg -0.7889673E-02 Delta_ex -0.6181041E-01 Delta_ec 0.1480528E-01 Delta_et -0.1948307E+00 Pxc 0.6890169E+01 Qxc -0.4174890E+01 3,-1 76 3 +1 -1.059035 2.161738 1.385576 Rho 0.2759970E-01 |GRAD(Rho)| 0.2112404E-13 GRAD(Rho)x 0.1245216E-13 GRAD(Rho)y 0.6422835E-14 GRAD(Rho)z 0.1580874E-13 Laplacian 0.1095150E+00 (-1/4)Del**2(Rho)) -0.2737874E-01 Diamond 0.1530439E-01 Metallicity 0.1586038E+01 Ellipticity -0.2890934E+01 Gb(Abramov) 0.2548978E-01 Vb(Abramov) -0.2360082E-01 Hb(Abramov) 0.1888961E-02 Ex_ueg -0.6160143E-02 Ec_ueg -0.1220475E-02 Delta_ex -0.6888584E-02 Delta_ec 0.1669819E-02 Delta_et -0.1512765E-01 Pxc 0.5047333E+01 Qxc -0.4125348E+01 3,+1 77 3 +1 -1.769218 -1.731831 1.795767 Rho 0.1176466E-01 |GRAD(Rho)| 0.2663285E-16 GRAD(Rho)x 0.1901665E-16 GRAD(Rho)y -0.1846994E-16 GRAD(Rho)z 0.2556752E-17 Laplacian 0.5825124E-01 (-1/4)Del**2(Rho)) -0.1456281E-01 Diamond 0.2272576E-02 Metallicity 0.7199019E+00 Ellipticity -0.1258299E+01 Gb(Abramov) 0.1145584E-01 Vb(Abramov) -0.8348868E-02 Hb(Abramov) 0.3106971E-02 Ex_ueg -0.1976169E-02 Ec_ueg -0.4487156E-03 Delta_ex -0.2848687E-02 Delta_ec 0.7566195E-03 Delta_et -0.5645538E-02 Pxc 0.4404056E+01 Qxc -0.3765019E+01 3,+1 78 3 +3 -1.134609 1.061706 -1.170935 Rho 0.5621306E-02 |GRAD(Rho)| 0.1816400E-17 GRAD(Rho)x -0.1078513E-17 GRAD(Rho)y 0.7486812E-18 GRAD(Rho)z -0.1255227E-17 Laplacian 0.2195932E-01 (-1/4)Del**2(Rho)) -0.5489831E-02 Diamond 0.1748243E-03 Metallicity 0.5576858E+00 Ellipticity -0.2058300E+00 Gb(Abramov) 0.4170154E-02 Vb(Abramov) -0.2850477E-02 Hb(Abramov) 0.1319677E-02 Ex_ueg -0.7381898E-03 Ec_ueg -0.1737473E-03 Delta_ex -0.7796860E-03 Delta_ec 0.8928918E-04 Delta_et -0.7421436E-03 Pxc 0.4248639E+01 Qxc -0.8732145E+01 3,+3 79 3 +1 -1.747121 1.648902 -1.783069 Rho 0.1200156E-01 |GRAD(Rho)| 0.2083075E-16 GRAD(Rho)x 0.2338621E-17 GRAD(Rho)y -0.1222493E-16 GRAD(Rho)z -0.1670335E-16 Laplacian 0.5932594E-01 (-1/4)Del**2(Rho)) -0.1483148E-01 Diamond 0.2353696E-02 Metallicity 0.7307427E+00 Ellipticity -0.1256829E+01 Gb(Abramov) 0.1169399E-01 Vb(Abramov) -0.8556494E-02 Hb(Abramov) 0.3137495E-02 Ex_ueg -0.2029404E-02 Ec_ueg -0.4596408E-03 Delta_ex -0.2909318E-02 Delta_ec 0.7577074E-03 Delta_et -0.5691208E-02 Pxc 0.4415195E+01 Qxc -0.3839632E+01 3,+1 80 3 +1 0.343415 -1.590280 -1.647222 Rho 0.5817091E-02 |GRAD(Rho)| 0.2477909E-15 GRAD(Rho)x 0.1963459E-15 GRAD(Rho)y -0.1455706E-15 GRAD(Rho)z -0.4071633E-16 Laplacian 0.2272324E-01 (-1/4)Del**2(Rho)) -0.5680810E-02 Diamond 0.5137784E-03 Metallicity 0.5705837E+00 Ellipticity -0.1844799E+01 Gb(Abramov) 0.4327436E-02 Vb(Abramov) -0.2974063E-02 Hb(Abramov) 0.1353374E-02 Ex_ueg -0.7726680E-03 Ec_ueg -0.1822433E-03 Delta_ex -0.1060613E-02 Delta_ec 0.5315843E-03 Delta_et -0.3093900E-02 Pxc 0.4239761E+01 Qxc -0.1995192E+01 3,+1 81 3 +1 -1.163713 1.309764 2.183366 Rho 0.2651620E-01 |GRAD(Rho)| 0.2381692E-13 GRAD(Rho)x 0.6365603E-14 GRAD(Rho)y 0.1495996E-13 GRAD(Rho)z 0.1740473E-13 Laplacian 0.1070701E+00 (-1/4)Del**2(Rho)) -0.2676752E-01 Diamond 0.1684150E-01 Metallicity 0.1517506E+01 Ellipticity -0.9709256E+01 Gb(Abramov) 0.2461499E-01 Vb(Abramov) -0.2246247E-01 Hb(Abramov) 0.2152527E-02 Ex_ueg -0.5839828E-02 Ec_ueg -0.1165351E-02 Delta_ex -0.6931134E-02 Delta_ec 0.2113631E-02 Delta_et -0.1887067E-01 Pxc 0.5011217E+01 Qxc -0.3279254E+01 3,+1 82 3 +1 -2.173037 1.027191 1.441268 Rho 0.2706920E-01 |GRAD(Rho)| 0.6699855E-16 GRAD(Rho)x 0.5605196E-16 GRAD(Rho)y -0.2854498E-16 GRAD(Rho)z -0.2306875E-16 Laplacian 0.1059995E+00 (-1/4)Del**2(Rho)) -0.2649989E-01 Diamond 0.1393394E-01 Metallicity 0.1586481E+01 Ellipticity -0.2626235E+01 Gb(Abramov) 0.2467352E-01 Vb(Abramov) -0.2284715E-01 Hb(Abramov) 0.1826367E-02 Ex_ueg -0.6002779E-02 Ec_ueg -0.1193449E-02 Delta_ex -0.6584644E-02 Delta_ec 0.1531202E-02 Delta_et -0.1382628E-01 Pxc 0.5029773E+01 Qxc -0.4300310E+01 3,+1 83 3 -1 -2.790555 1.732458 -0.529908 Rho 0.1369974E+00 |GRAD(Rho)| 0.1864425E-15 GRAD(Rho)x -0.1213358E-15 GRAD(Rho)y -0.1413664E-15 GRAD(Rho)z -0.7345470E-17 Laplacian 0.5772284E+00 (-1/4)Del**2(Rho)) -0.1443071E+00 Diamond 0.1047436E+01 Metallicity 0.4346295E+01 Ellipticity 0.1710707E-01 Gb(Abramov) 0.2007383E+00 Vb(Abramov) -0.2571694E+00 Hb(Abramov) -0.5643117E-01 Ex_ueg -0.5215965E-01 Ec_ueg -0.7616428E-02 Delta_ex -0.6061266E-01 Delta_ec 0.1494275E-01 Delta_et -0.1962237E+00 Pxc 0.6848309E+01 Qxc -0.4056326E+01 3,-1 84 3 +1 0.528240 0.486877 1.660553 Rho 0.8088604E-02 |GRAD(Rho)| 0.6931475E-14 GRAD(Rho)x 0.4242405E-14 GRAD(Rho)y -0.5475306E-14 GRAD(Rho)z -0.2614855E-15 Laplacian 0.3198679E-01 (-1/4)Del**2(Rho)) -0.7996698E-02 Diamond 0.7948047E-03 Metallicity 0.7021530E+00 Ellipticity -0.1417165E+01 Gb(Abramov) 0.6266949E-02 Vb(Abramov) -0.4537201E-02 Hb(Abramov) 0.1729748E-02 Ex_ueg -0.1199177E-02 Ec_ueg -0.2821572E-03 Delta_ex -0.1442451E-02 Delta_ec 0.4565520E-03 Delta_et -0.3066279E-02 Pxc 0.4250030E+01 Qxc -0.3159445E+01 3,+1 85 3 -1 -2.223821 -0.926434 -3.052602 Rho 0.1413755E+00 |GRAD(Rho)| 0.1301480E-15 GRAD(Rho)x -0.1803164E-16 GRAD(Rho)y -0.1278952E-15 GRAD(Rho)z -0.1600553E-16 Laplacian 0.5274778E+00 (-1/4)Del**2(Rho)) -0.1318694E+00 Diamond 0.1010715E+01 Metallicity 0.5012250E+01 Ellipticity 0.1360870E+00 Gb(Abramov) 0.1980734E+00 Vb(Abramov) -0.2642773E+00 Hb(Abramov) -0.6620395E-01 Ex_ueg -0.5439396E-01 Ec_ueg -0.7893730E-02 Delta_ex -0.5599431E-01 Delta_ec 0.1387195E-01 Delta_et -0.1837111E+00 Pxc 0.6890781E+01 Qxc -0.4036514E+01 3,-1 86 3 +3 -1.958086 -1.960696 -1.866205 Rho 0.1076835E-01 |GRAD(Rho)| 0.7613430E-17 GRAD(Rho)x -0.2090575E-17 GRAD(Rho)y 0.6580777E-17 GRAD(Rho)z -0.3207366E-17 Laplacian 0.4857312E-01 (-1/4)Del**2(Rho)) -0.1214328E-01 Diamond 0.9195427E-03 Metallicity 0.7449592E+00 Ellipticity -0.4516346E+00 Gb(Abramov) 0.9603227E-02 Vb(Abramov) -0.7063176E-02 Hb(Abramov) 0.2540052E-02 Ex_ueg -0.1756240E-02 Ec_ueg -0.4030145E-03 Delta_ex -0.2067432E-02 Delta_ec 0.1784199E-03 Delta_et -0.1668917E-02 Pxc 0.4357760E+01 Qxc -0.1158745E+02 3,+3 87 3 +1 -1.722714 -0.541299 0.566125 Rho 0.8739504E-02 |GRAD(Rho)| 0.1311781E-16 GRAD(Rho)x -0.1096833E-16 GRAD(Rho)y -0.6218560E-17 GRAD(Rho)z -0.3619699E-17 Laplacian 0.3316057E-01 (-1/4)Del**2(Rho)) -0.8290143E-02 Diamond 0.9299783E-03 Metallicity 0.7705529E+00 Ellipticity -0.1517217E+01 Gb(Abramov) 0.6591428E-02 Vb(Abramov) -0.4892712E-02 Hb(Abramov) 0.1698715E-02 Ex_ueg -0.1329538E-02 Ec_ueg -0.3112262E-03 Delta_ex -0.1531183E-02 Delta_ec 0.4846390E-03 Delta_et -0.3311649E-02 Pxc 0.4271935E+01 Qxc -0.3159430E+01 3,+1 88 3 +3 -1.155985 -1.103736 1.157817 Rho 0.5131115E-02 |GRAD(Rho)| 0.4195744E-14 GRAD(Rho)x -0.2240437E-14 GRAD(Rho)y 0.2705864E-14 GRAD(Rho)z -0.2294126E-14 Laplacian 0.1979155E-01 (-1/4)Del**2(Rho)) -0.4947886E-02 Diamond 0.1428904E-03 Metallicity 0.5314794E+00 Ellipticity -0.1874803E+00 Gb(Abramov) 0.3736874E-02 Vb(Abramov) -0.2525862E-02 Hb(Abramov) 0.1211012E-02 Ex_ueg -0.6536332E-03 Ec_ueg -0.1525596E-03 Delta_ex -0.6884414E-03 Delta_ec 0.8668590E-04 Delta_et -0.6907343E-03 Pxc 0.4284445E+01 Qxc -0.7941792E+01 3,+3 89 3 -1 -1.783136 -0.522484 -1.774230 Rho 0.4782199E-01 |GRAD(Rho)| 0.8712356E-15 GRAD(Rho)x 0.6516830E-15 GRAD(Rho)y -0.3242309E-15 GRAD(Rho)z 0.4787849E-15 Laplacian 0.1948621E+00 (-1/4)Del**2(Rho)) -0.4871552E-01 Diamond 0.9580425E-01 Metallicity 0.2228086E+01 Ellipticity 0.1386445E-01 Gb(Abramov) 0.5056741E-01 Vb(Abramov) -0.5241929E-01 Hb(Abramov) -0.1851885E-02 Ex_ueg -0.1282002E-01 Ec_ueg -0.2294840E-02 Delta_ex -0.1599029E-01 Delta_ec 0.6038869E-02 Delta_et -0.6299697E-01 Pxc 0.5586454E+01 Qxc -0.2647895E+01 3,-1 90 3 -1 -1.783354 -0.564639 2.845722 Rho 0.1582059E+00 |GRAD(Rho)| 0.1646030E-15 GRAD(Rho)x -0.1620340E-15 GRAD(Rho)y -0.1447410E-16 GRAD(Rho)z -0.2509250E-16 Laplacian 0.6560871E+00 (-1/4)Del**2(Rho)) -0.1640218E+00 Diamond 0.1389198E+01 Metallicity 0.4860595E+01 Ellipticity 0.3546065E-01 Gb(Abramov) 0.2422217E+00 Vb(Abramov) -0.3204217E+00 Hb(Abramov) -0.7819997E-01 Ex_ueg -0.6319488E-01 Ec_ueg -0.8970861E-02 Delta_ex -0.7112782E-01 Delta_ec 0.1595889E-01 Delta_et -0.2128080E+00 Pxc 0.7044461E+01 Qxc -0.4456941E+01 3,-1 91 3 -1 -2.139272 -3.021072 -0.764965 Rho 0.1245759E+00 |GRAD(Rho)| 0.2531336E-15 GRAD(Rho)x 0.1355930E-16 GRAD(Rho)y 0.2059510E-15 GRAD(Rho)z 0.1465503E-15 Laplacian 0.4437742E+00 (-1/4)Del**2(Rho)) -0.1109435E+00 Diamond 0.7330935E+00 Metallicity 0.4825118E+01 Ellipticity 0.1131404E+00 Gb(Abramov) 0.1631816E+00 Vb(Abramov) -0.2154197E+00 Hb(Abramov) -0.5223810E-01 Ex_ueg -0.4595123E-01 Ec_ueg -0.6836473E-02 Delta_ex -0.4573026E-01 Delta_ec 0.1208804E-01 Delta_et -0.1569120E+00 Pxc 0.6721483E+01 Qxc -0.3783100E+01 3,-1 92 3 -1 -1.977570 0.877840 3.040520 Rho 0.1370091E+00 |GRAD(Rho)| 0.9506477E-16 GRAD(Rho)x -0.8463553E-16 GRAD(Rho)y 0.4016969E-16 GRAD(Rho)z 0.1614106E-16 Laplacian 0.5341624E+00 (-1/4)Del**2(Rho)) -0.1335406E+00 Diamond 0.9650756E+00 Metallicity 0.4697379E+01 Ellipticity 0.5449613E-01 Gb(Abramov) 0.1935755E+00 Vb(Abramov) -0.2536105E+00 Hb(Abramov) -0.6003494E-01 Ex_ueg -0.5216561E-01 Ec_ueg -0.7617170E-02 Delta_ex -0.5604314E-01 Delta_ec 0.1374106E-01 Delta_et -0.1802708E+00 Pxc 0.6848425E+01 Qxc -0.4078518E+01 3,-1 93 3 -1 -1.739502 1.679866 0.556659 Rho 0.5245620E-01 |GRAD(Rho)| 0.3977174E-14 GRAD(Rho)x 0.1966691E-14 GRAD(Rho)y 0.1971566E-14 GRAD(Rho)z 0.2839536E-14 Laplacian 0.2117216E+00 (-1/4)Del**2(Rho)) -0.5293041E-01 Diamond 0.1132793E+00 Metallicity 0.2392449E+01 Ellipticity 0.1378037E-01 Gb(Abramov) 0.5639249E-01 Vb(Abramov) -0.5985457E-01 Hb(Abramov) -0.3462079E-02 Ex_ueg -0.1450266E-01 Ec_ueg -0.2551087E-02 Delta_ex -0.1758772E-01 Delta_ec 0.6213904E-02 Delta_et -0.6631665E-01 Pxc 0.5684893E+01 Qxc -0.2830382E+01 3,-1 94 3 -1 -3.017623 1.942591 0.894170 Rho 0.1598507E+00 |GRAD(Rho)| 0.1676825E-15 GRAD(Rho)x -0.7220786E-16 GRAD(Rho)y 0.7245181E-16 GRAD(Rho)z -0.1328690E-15 Laplacian 0.6237084E+00 (-1/4)Del**2(Rho)) -0.1559271E+00 Diamond 0.1369638E+01 Metallicity 0.5201828E+01 Ellipticity 0.5442738E-01 Gb(Abramov) 0.2391357E+00 Vb(Abramov) -0.3223443E+00 Hb(Abramov) -0.8320862E-01 Ex_ueg -0.6407244E-01 Ec_ueg -0.9077056E-02 Delta_ex -0.6808936E-01 Delta_ec 0.1566199E-01 Delta_et -0.2104917E+00 Pxc 0.7058724E+01 Qxc -0.4347426E+01 3,-1 95 3 -1 -1.690427 -2.770697 -2.345262 Rho 0.3051352E-01 |GRAD(Rho)| 0.4758048E-16 GRAD(Rho)x -0.5426697E-17 GRAD(Rho)y 0.4627730E-16 GRAD(Rho)z -0.9636625E-17 Laplacian 0.9034407E-01 (-1/4)Del**2(Rho)) -0.2258602E-01 Diamond 0.3504608E-01 Metallicity 0.2272658E+01 Ellipticity 0.3204054E-01 Gb(Abramov) 0.2361239E-01 Vb(Abramov) -0.2463877E-01 Hb(Abramov) -0.1026376E-02 Ex_ueg -0.7042197E-02 Ec_ueg -0.1370126E-02 Delta_ex -0.7551451E-02 Delta_ec 0.4431410E-02 Delta_et -0.4081991E-01 Pxc 0.5139819E+01 Qxc -0.1704074E+01 3,-1 96 3 +1 -1.547394 -2.031693 -1.916497 Rho 0.1158841E-01 |GRAD(Rho)| 0.2503297E-16 GRAD(Rho)x -0.1717225E-16 GRAD(Rho)y 0.2627815E-17 GRAD(Rho)z 0.1802381E-16 Laplacian 0.5158795E-01 (-1/4)Del**2(Rho)) -0.1289699E-01 Diamond 0.1961353E-02 Metallicity 0.7926919E+00 Ellipticity -0.1354883E+01 Gb(Abramov) 0.1030188E-01 Vb(Abramov) -0.7706775E-02 Hb(Abramov) 0.2595106E-02 Ex_ueg -0.1936794E-02 Ec_ueg -0.4406019E-03 Delta_ex -0.2509784E-02 Delta_ec 0.6646391E-03 Delta_et -0.4945144E-02 Pxc 0.4395791E+01 Qxc -0.3776161E+01 3,+1 97 3 -1 -0.278204 -1.405307 -3.235913 Rho 0.3864176E-02 |GRAD(Rho)| 0.3231222E-15 GRAD(Rho)x -0.2148032E-15 GRAD(Rho)y 0.1175998E-15 GRAD(Rho)z 0.2108028E-15 Laplacian 0.1466016E-01 (-1/4)Del**2(Rho)) -0.3665041E-02 Diamond 0.3627203E-03 Metallicity 0.4472695E+00 Ellipticity 0.9410339E-01 Gb(Abramov) 0.2716571E-02 Vb(Abramov) -0.1768100E-02 Hb(Abramov) 0.9484700E-03 Ex_ueg -0.4478449E-03 Ec_ueg -0.9836599E-04 Delta_ex -0.8524680E-03 Delta_ec 0.7441818E-03 Delta_et -0.3623220E-02 Pxc 0.4552843E+01 Qxc -0.1145510E+01 3,-1 98 3 +3 1.085781 1.102366 1.062835 Rho 0.4551975E-02 |GRAD(Rho)| 0.6974078E-12 GRAD(Rho)x 0.9134234E-14 GRAD(Rho)y 0.6972374E-12 GRAD(Rho)z 0.1242137E-13 Laplacian 0.1792010E-01 (-1/4)Del**2(Rho)) -0.4480024E-02 Diamond 0.1183401E-03 Metallicity 0.4807721E+00 Ellipticity -0.1803629E+00 Gb(Abramov) 0.3345661E-02 Vb(Abramov) -0.2211298E-02 Hb(Abramov) 0.1134363E-02 Ex_ueg -0.5571664E-03 Ec_ueg -0.1276837E-03 Delta_ex -0.6119691E-03 Delta_ec 0.9450849E-04 Delta_et -0.6906701E-03 Pxc 0.4363645E+01 Qxc -0.6475282E+01 3,+3 99 3 +1 -0.152042 0.171201 2.914935 Rho 0.5258304E-02 |GRAD(Rho)| 0.4949563E-14 GRAD(Rho)x 0.1476143E-15 GRAD(Rho)y 0.4889815E-14 GRAD(Rho)z -0.7523915E-15 Laplacian 0.2161007E-01 (-1/4)Del**2(Rho)) -0.5402517E-02 Diamond 0.5547105E-03 Metallicity 0.5070294E+00 Ellipticity -0.4299267E+01 Gb(Abramov) 0.4058217E-02 Vb(Abramov) -0.2713917E-02 Hb(Abramov) 0.1344300E-02 Ex_ueg -0.6753247E-03 Ec_ueg -0.1580455E-03 Delta_ex -0.1098378E-02 Delta_ec 0.7044365E-03 Delta_et -0.3874334E-02 Pxc 0.4272975E+01 Qxc -0.1559230E+01 3,+1 100 3 +1 0.061341 -2.945563 0.040615 Rho 0.4703893E-02 |GRAD(Rho)| 0.7029294E-17 GRAD(Rho)x 0.5905421E-17 GRAD(Rho)y 0.3324965E-18 GRAD(Rho)z -0.3798212E-17 Laplacian 0.1828276E-01 (-1/4)Del**2(Rho)) -0.4570690E-02 Diamond 0.4005053E-03 Metallicity 0.4977377E+00 Ellipticity -0.3958035E+01 Gb(Abramov) 0.3426294E-02 Vb(Abramov) -0.2281898E-02 Hb(Abramov) 0.1144396E-02 Ex_ueg -0.5820965E-03 Ec_ueg -0.1341925E-03 Delta_ex -0.9061984E-03 Delta_ec 0.5896214E-03 Delta_et -0.3138273E-02 Pxc 0.4337774E+01 Qxc -0.1536916E+01 3,+1 101 3 +3 -0.075801 -2.393925 -0.134931 Rho 0.4050143E-02 |GRAD(Rho)| 0.2546396E-17 GRAD(Rho)x 0.8456297E-19 GRAD(Rho)y -0.1358229E-17 GRAD(Rho)z 0.2152253E-17 Laplacian 0.1603182E-01 (-1/4)Del**2(Rho)) -0.4007955E-02 Diamond 0.1189730E-03 Metallicity 0.4423313E+00 Ellipticity -0.4276293E+00 Gb(Abramov) 0.2967444E-02 Vb(Abramov) -0.1926933E-02 Hb(Abramov) 0.1040511E-02 Ex_ueg -0.4768102E-03 Ec_ueg -0.1062684E-03 Delta_ex -0.5657215E-03 Delta_ec 0.1475414E-03 Delta_et -0.8990738E-03 Pxc 0.4486848E+01 Qxc -0.3834325E+01 3,+3 102 3 -1 0.876751 -3.031405 1.976633 Rho 0.1512780E+00 |GRAD(Rho)| 0.1357006E-12 GRAD(Rho)x -0.1070447E-12 GRAD(Rho)y 0.3835329E-13 GRAD(Rho)z 0.7406162E-13 Laplacian 0.5855810E+00 (-1/4)Del**2(Rho)) -0.1463952E+00 Diamond 0.1188948E+01 Metallicity 0.5054199E+01 Ellipticity 0.7209738E-01 Gb(Abramov) 0.2209153E+00 Vb(Abramov) -0.2954353E+00 Hb(Abramov) -0.7452003E-01 Ex_ueg -0.5953229E-01 Ec_ueg -0.8525372E-02 Delta_ex -0.6291987E-01 Delta_ec 0.1465239E-01 Delta_et -0.1948755E+00 Pxc 0.6982955E+01 Qxc -0.4294170E+01 3,-1 103 3 -1 0.140861 -1.987543 -1.042500 Rho 0.7726741E-02 |GRAD(Rho)| 0.5132376E-17 GRAD(Rho)x -0.1101545E-17 GRAD(Rho)y -0.8980704E-18 GRAD(Rho)z 0.4931668E-17 Laplacian 0.2946970E-01 (-1/4)Del**2(Rho)) -0.7367426E-02 Diamond 0.1407329E-02 Metallicity 0.7061517E+00 Ellipticity 0.5884930E+00 Gb(Abramov) 0.5778704E-02 Vb(Abramov) -0.4189982E-02 Hb(Abramov) 0.1588722E-02 Ex_ueg -0.1128185E-02 Ec_ueg -0.2660791E-03 Delta_ex -0.1687625E-02 Delta_ec 0.1088075E-02 Delta_et -0.6670431E-02 Pxc 0.4240035E+01 Qxc -0.1551019E+01 3,-1 104 3 +1 -0.182207 -2.323221 -1.106822 Rho 0.7108110E-02 |GRAD(Rho)| 0.4361987E-14 GRAD(Rho)x -0.1789926E-14 GRAD(Rho)y -0.3943179E-14 GRAD(Rho)z -0.5238636E-15 Laplacian 0.2780102E-01 (-1/4)Del**2(Rho)) -0.6950256E-02 Diamond 0.7469840E-03 Metallicity 0.6513423E+00 Ellipticity -0.1737542E+01 Gb(Abramov) 0.5388003E-02 Vb(Abramov) -0.3825750E-02 Hb(Abramov) 0.1562253E-02 Ex_ueg -0.1009386E-02 Ec_ueg -0.2387317E-03 Delta_ex -0.1311227E-02 Delta_ec 0.5705640E-03 Delta_et -0.3558992E-02 Pxc 0.4228118E+01 Qxc -0.2298125E+01 3,+1 105 3 +1 -0.556009 1.584810 -0.550126 Rho 0.9558878E-02 |GRAD(Rho)| 0.1563047E-16 GRAD(Rho)x -0.4414643E-17 GRAD(Rho)y 0.1423390E-16 GRAD(Rho)z -0.4713675E-17 Laplacian 0.3721921E-01 (-1/4)Del**2(Rho)) -0.9304803E-02 Diamond 0.1132418E-02 Metallicity 0.7971209E+00 Ellipticity -0.1472943E+01 Gb(Abramov) 0.7439378E-02 Vb(Abramov) -0.5573952E-02 Hb(Abramov) 0.1865426E-02 Ex_ueg -0.1498285E-02 Ec_ueg -0.3480846E-03 Delta_ex -0.1739578E-02 Delta_ec 0.5110960E-03 Delta_et -0.3599132E-02 Pxc 0.4304369E+01 Qxc -0.3403622E+01 3,+1 106 3 +1 -0.202768 2.892267 0.164406 Rho 0.5444793E-02 |GRAD(Rho)| 0.1890935E-15 GRAD(Rho)x -0.1357023E-15 GRAD(Rho)y 0.1674663E-16 GRAD(Rho)z 0.1306170E-15 Laplacian 0.2268722E-01 (-1/4)Del**2(Rho)) -0.5671804E-02 Diamond 0.5432687E-03 Metallicity 0.5118400E+00 Ellipticity -0.2177661E+01 Gb(Abramov) 0.4265045E-02 Vb(Abramov) -0.2858287E-02 Hb(Abramov) 0.1406759E-02 Ex_ueg -0.7074464E-03 Ec_ueg -0.1661040E-03 Delta_ex -0.1105335E-02 Delta_ec 0.6403587E-03 Delta_et -0.3597385E-02 Pxc 0.4259057E+01 Qxc -0.1726118E+01 3,+1 107 3 +3 0.014587 2.275767 0.001595 Rho 0.4676084E-02 |GRAD(Rho)| 0.8927660E-14 GRAD(Rho)x 0.4261596E-14 GRAD(Rho)y -0.6367701E-14 GRAD(Rho)z -0.4581954E-14 Laplacian 0.1912284E-01 (-1/4)Del**2(Rho)) -0.4780709E-02 Diamond 0.1681897E-03 Metallicity 0.4711922E+00 Ellipticity -0.2916671E+00 Gb(Abramov) 0.3562578E-02 Vb(Abramov) -0.2344447E-02 Hb(Abramov) 0.1218131E-02 Ex_ueg -0.5775126E-03 Ec_ueg -0.1330001E-03 Delta_ex -0.6955936E-03 Delta_ec 0.1682544E-03 Delta_et -0.1072182E-02 Pxc 0.4342196E+01 Qxc -0.4134178E+01 3,+3 108 3 +3 0.031180 -0.035139 2.317368 Rho 0.4446950E-02 |GRAD(Rho)| 0.9655638E-11 GRAD(Rho)x 0.6412438E-11 GRAD(Rho)y 0.5950599E-11 GRAD(Rho)z -0.4086852E-11 Laplacian 0.1812830E-01 (-1/4)Del**2(Rho)) -0.4532075E-02 Diamond 0.1506704E-03 Metallicity 0.4571160E+00 Ellipticity -0.3228375E+00 Gb(Abramov) 0.3366664E-02 Vb(Abramov) -0.2201253E-02 Hb(Abramov) 0.1165411E-02 Ex_ueg -0.5400924E-03 Ec_ueg -0.1231910E-03 Delta_ex -0.6528469E-03 Delta_ec 0.1628833E-03 Delta_et -0.1020750E-02 Pxc 0.4384187E+01 Qxc -0.4008066E+01 3,+3 109 3 -1 -0.843064 2.992819 1.963923 Rho 0.1193183E+00 |GRAD(Rho)| 0.8848006E-14 GRAD(Rho)x 0.6400364E-14 GRAD(Rho)y -0.2945828E-14 GRAD(Rho)z 0.5352069E-14 Laplacian 0.4647754E+00 (-1/4)Del**2(Rho)) -0.1161939E+00 Diamond 0.7104622E+00 Metallicity 0.4287611E+01 Ellipticity 0.3508548E-01 Gb(Abramov) 0.1604949E+00 Vb(Abramov) -0.2047960E+00 Hb(Abramov) -0.4430106E-01 Ex_ueg -0.4338384E-01 Ec_ueg -0.6509472E-02 Delta_ex -0.4715576E-01 Delta_ec 0.1234007E-01 Delta_et -0.1582553E+00 Pxc 0.6664725E+01 Qxc -0.3821353E+01 3,-1 110 3 +1 -0.335263 -1.295949 -2.724841 Rho 0.3427209E-02 |GRAD(Rho)| 0.2534991E-17 GRAD(Rho)x 0.2231545E-17 GRAD(Rho)y -0.9120393E-18 GRAD(Rho)z 0.7839454E-18 Laplacian 0.1357077E-01 (-1/4)Del**2(Rho)) -0.3392693E-02 Diamond 0.1477112E-03 Metallicity 0.3955880E+00 Ellipticity -0.1406504E+01 Gb(Abramov) 0.2485480E-02 Vb(Abramov) -0.1578267E-02 Hb(Abramov) 0.9072128E-03 Ex_ueg -0.3816271E-03 Ec_ueg -0.7987007E-04 Delta_ex -0.5627580E-03 Delta_ec 0.3097278E-03 Delta_et -0.1549780E-02 Pxc 0.4778100E+01 Qxc -0.1816944E+01 3,+1 111 3 +1 0.469376 -0.790697 -1.771935 Rho 0.5909773E-02 |GRAD(Rho)| 0.1328152E-16 GRAD(Rho)x -0.9863951E-17 GRAD(Rho)y 0.9945499E-18 GRAD(Rho)z 0.8838109E-17 Laplacian 0.2314090E-01 (-1/4)Del**2(Rho)) -0.5785224E-02 Diamond 0.5235845E-03 Metallicity 0.5752425E+00 Ellipticity -0.1798416E+01 Gb(Abramov) 0.4411467E-02 Vb(Abramov) -0.3037710E-02 Hb(Abramov) 0.1373757E-02 Ex_ueg -0.7891255E-03 Ec_ueg -0.1862717E-03 Delta_ex -0.1075705E-02 Delta_ec 0.5268760E-03 Delta_et -0.3088225E-02 Pxc 0.4236422E+01 Qxc -0.2041665E+01 3,+1 112 3 +1 0.135160 -0.119777 2.946777 Rho 0.5228580E-02 |GRAD(Rho)| 0.3651995E-17 GRAD(Rho)x 0.3043828E-17 GRAD(Rho)y 0.1946964E-17 GRAD(Rho)z -0.5305782E-18 Laplacian 0.2125705E-01 (-1/4)Del**2(Rho)) -0.5314262E-02 Diamond 0.5148283E-03 Metallicity 0.5106028E+00 Ellipticity -0.2861723E+01 Gb(Abramov) 0.3995088E-02 Vb(Abramov) -0.2675913E-02 Hb(Abramov) 0.1319175E-02 Ex_ueg -0.6702397E-03 Ec_ueg -0.1567628E-03 Delta_ex -0.1055922E-02 Delta_ec 0.6512593E-03 Delta_et -0.3591947E-02 Pxc 0.4275503E+01 Qxc -0.1621354E+01 3,+1 113 3 -1 -0.561586 -0.515042 -0.516106 Rho 0.1927604E+00 |GRAD(Rho)| 0.2619375E-15 GRAD(Rho)x 0.9020562E-16 GRAD(Rho)y 0.6938894E-16 GRAD(Rho)z 0.2359224E-15 Laplacian 0.5289654E+00 (-1/4)Del**2(Rho)) -0.1322413E+00 Diamond 0.1451148E+01 Metallicity 0.8379449E+01 Ellipticity 0.1813989E-01 Gb(Abramov) 0.2728458E+00 Vb(Abramov) -0.4134503E+00 Hb(Abramov) -0.1406045E+00 Ex_ueg -0.8223854E-01 Ec_ueg -0.1123501E-01 Delta_ex -0.6049665E-01 Delta_ec 0.1260879E-01 Delta_et -0.1728978E+00 Pxc 0.7319848E+01 Qxc -0.4797975E+01 3,-1 114 3 +1 2.161829 1.374775 -1.050868 Rho 0.2580066E-01 |GRAD(Rho)| 0.5693593E-16 GRAD(Rho)x -0.5535790E-16 GRAD(Rho)y -0.1329130E-16 GRAD(Rho)z -0.7376822E-18 Laplacian 0.1022156E+00 (-1/4)Del**2(Rho)) -0.2555389E-01 Diamond 0.1402962E-01 Metallicity 0.1518731E+01 Ellipticity -0.3729909E+01 Gb(Abramov) 0.2350417E-01 Vb(Abramov) -0.2145446E-01 Hb(Abramov) 0.2049716E-02 Ex_ueg -0.5630662E-02 Ec_ueg -0.1129110E-02 Delta_ex -0.6418138E-02 Delta_ec 0.1747153E-02 Delta_et -0.1553888E-01 Pxc 0.4986814E+01 Qxc -0.3673483E+01 3,+1 115 3 -1 -0.000433 -3.271069 -1.201521 Rho 0.2272076E-01 |GRAD(Rho)| 0.1022012E-15 GRAD(Rho)x 0.7520915E-16 GRAD(Rho)y -0.6905631E-16 GRAD(Rho)z -0.4461575E-17 Laplacian 0.7747749E-01 (-1/4)Del**2(Rho)) -0.1936937E-01 Diamond 0.2118371E-01 Metallicity 0.1621098E+01 Ellipticity 0.6633526E-02 Gb(Abramov) 0.1814619E-01 Vb(Abramov) -0.1692301E-01 Hb(Abramov) 0.1223183E-02 Ex_ueg -0.4752794E-02 Ec_ueg -0.9746572E-03 Delta_ex -0.6214969E-02 Delta_ec 0.4023898E-02 Delta_et -0.3389088E-01 Pxc 0.4876374E+01 Qxc -0.1544515E+01 3,-1 116 3 -1 -1.923118 -2.719949 0.560119 Rho 0.9295050E-01 |GRAD(Rho)| 0.1353377E-15 GRAD(Rho)x 0.8906382E-16 GRAD(Rho)y -0.1152642E-16 GRAD(Rho)z 0.1012475E-15 Laplacian 0.3824381E+00 (-1/4)Del**2(Rho)) -0.9560952E-01 Diamond 0.4338376E+00 Metallicity 0.3436673E+01 Ellipticity 0.1487044E-01 Gb(Abramov) 0.1185028E+00 Vb(Abramov) -0.1413961E+00 Hb(Abramov) -0.2289327E-01 Ex_ueg -0.3109716E-01 Ec_ueg -0.4900034E-02 Delta_ex -0.3661285E-01 Delta_ec 0.1078070E-01 Delta_et -0.1318866E+00 Pxc 0.6346314E+01 Qxc -0.3396148E+01 3,-1 117 3 +1 0.515966 1.686023 0.486037 Rho 0.7689484E-02 |GRAD(Rho)| 0.1491024E-13 GRAD(Rho)x -0.1336413E-13 GRAD(Rho)y -0.5695996E-14 GRAD(Rho)z 0.3357223E-14 Laplacian 0.3005532E-01 (-1/4)Del**2(Rho)) -0.7513829E-02 Diamond 0.6979074E-03 Metallicity 0.6868373E+00 Ellipticity -0.1410935E+01 Gb(Abramov) 0.5869349E-02 Vb(Abramov) -0.4224869E-02 Hb(Abramov) 0.1644480E-02 Ex_ueg -0.1120937E-02 Ec_ueg -0.2644271E-03 Delta_ex -0.1338695E-02 Delta_ec 0.4297269E-03 Delta_et -0.2847852E-02 Pxc 0.4239116E+01 Qxc -0.3115223E+01 3,+1 118 3 -1 -0.525689 1.751080 -2.779457 Rho 0.1139584E+00 |GRAD(Rho)| 0.1800654E-15 GRAD(Rho)x 0.1717512E-15 GRAD(Rho)y 0.2303930E-16 GRAD(Rho)z -0.4893140E-16 Laplacian 0.4757545E+00 (-1/4)Del**2(Rho)) -0.1189386E+00 Diamond 0.6960338E+00 Metallicity 0.3879784E+01 Ellipticity 0.1526905E-01 Gb(Abramov) 0.1562018E+00 Vb(Abramov) -0.1934649E+00 Hb(Abramov) -0.3726315E-01 Ex_ueg -0.4080501E-01 Ec_ueg -0.6178097E-02 Delta_ex -0.4785794E-01 Delta_ec 0.1297010E-01 Delta_et -0.1653018E+00 Pxc 0.6604787E+01 Qxc -0.3689867E+01 3,-1 119 3 -1 -0.520293 1.731868 1.727475 Rho 0.4265988E-01 |GRAD(Rho)| 0.1050236E-15 GRAD(Rho)x -0.5602488E-16 GRAD(Rho)y -0.5831504E-16 GRAD(Rho)z -0.6701132E-16 Laplacian 0.1766726E+00 (-1/4)Del**2(Rho)) -0.4416814E-01 Diamond 0.7368368E-01 Metallicity 0.2031468E+01 Ellipticity 0.1568199E-01 Gb(Abramov) 0.4439979E-01 Vb(Abramov) -0.4463144E-01 Hb(Abramov) -0.2316496E-03 Ex_ueg -0.1100892E-01 Ec_ueg -0.2013348E-02 Delta_ex -0.1405617E-01 Delta_ec 0.5413800E-02 Delta_et -0.5476474E-01 Pxc 0.5467964E+01 Qxc -0.2596360E+01 3,-1 120 3 -1 -0.846082 2.035367 2.988656 Rho 0.1265842E+00 |GRAD(Rho)| 0.3658847E-14 GRAD(Rho)x -0.2885679E-14 GRAD(Rho)y -0.1768815E-14 GRAD(Rho)z 0.1389717E-14 Laplacian 0.4951217E+00 (-1/4)Del**2(Rho)) -0.1237804E+00 Diamond 0.8142664E+00 Metallicity 0.4441544E+01 Ellipticity 0.4405702E-01 Gb(Abramov) 0.1741497E+00 Vb(Abramov) -0.2245189E+00 Hb(Abramov) -0.5036923E-01 Ex_ueg -0.4694161E-01 Ec_ueg -0.6961883E-02 Delta_ex -0.5097269E-01 Delta_ec 0.1300092E-01 Delta_et -0.1684698E+00 Pxc 0.6742660E+01 Qxc -0.3920697E+01 3,-1 121 3 -1 -0.553002 -1.842543 2.765303 Rho 0.1036027E+00 |GRAD(Rho)| 0.5286405E-12 GRAD(Rho)x 0.3106601E-12 GRAD(Rho)y -0.4155879E-12 GRAD(Rho)z -0.1011817E-12 Laplacian 0.4254350E+00 (-1/4)Del**2(Rho)) -0.1063588E+00 Diamond 0.5506801E+00 Metallicity 0.3701676E+01 Ellipticity 0.1350187E-01 Gb(Abramov) 0.1365235E+00 Vb(Abramov) -0.1666882E+00 Hb(Abramov) -0.3016470E-01 Ex_ueg -0.3593739E-01 Ec_ueg -0.5543804E-02 Delta_ex -0.4177895E-01 Delta_ec 0.1172631E-01 Delta_et -0.1466231E+00 Pxc 0.6482443E+01 Qxc -0.3562838E+01 3,-1 122 3 -1 0.252457 -1.166774 -1.918097 Rho 0.6302956E-02 |GRAD(Rho)| 0.1552563E-16 GRAD(Rho)x 0.1143321E-16 GRAD(Rho)y 0.8933401E-17 GRAD(Rho)z 0.5524615E-17 Laplacian 0.2488641E-01 (-1/4)Del**2(Rho)) -0.6221603E-02 Diamond 0.9347040E-03 Metallicity 0.5955132E+00 Ellipticity 0.3980952E+00 Gb(Abramov) 0.4765243E-02 Vb(Abramov) -0.3308883E-02 Hb(Abramov) 0.1456360E-02 Ex_ueg -0.8598924E-03 Ec_ueg -0.2034082E-03 Delta_ex -0.1391846E-02 Delta_ec 0.9567841E-03 Delta_et -0.5501742E-02 Pxc 0.4227423E+01 Qxc -0.1454712E+01 3,-1 123 3 +1 0.410609 -1.759719 -0.712853 Rho 0.7177773E-02 |GRAD(Rho)| 0.1486647E-14 GRAD(Rho)x -0.3712490E-16 GRAD(Rho)y 0.9767805E-15 GRAD(Rho)z 0.1120108E-14 Laplacian 0.2732766E-01 (-1/4)Del**2(Rho)) -0.6831915E-02 Diamond 0.7564872E-03 Metallicity 0.6734835E+00 Ellipticity -0.1889273E+01 Gb(Abramov) 0.5321474E-02 Vb(Abramov) -0.3811032E-02 Hb(Abramov) 0.1510441E-02 Ex_ueg -0.1022597E-02 Ec_ueg -0.2418024E-03 Delta_ex -0.1298941E-02 Delta_ec 0.5736114E-03 Delta_et -0.3580362E-02 Pxc 0.4229062E+01 Qxc -0.2264496E+01 3,+1 124 3 +1 1.725146 1.809986 1.741066 Rho 0.1225152E-01 |GRAD(Rho)| 0.4789328E-14 GRAD(Rho)x 0.3886368E-14 GRAD(Rho)y -0.2685518E-14 GRAD(Rho)z -0.7885395E-15 Laplacian 0.6142111E-01 (-1/4)Del**2(Rho)) -0.1535528E-01 Diamond 0.2525985E-02 Metallicity 0.7304863E+00 Ellipticity -0.1258224E+01 Gb(Abramov) 0.1210632E-01 Vb(Abramov) -0.8857366E-02 Hb(Abramov) 0.3248956E-02 Ex_ueg -0.2085955E-02 Ec_ueg -0.4711924E-03 Delta_ex -0.3033954E-02 Delta_ec 0.7941337E-03 Delta_et -0.5987302E-02 Pxc 0.4426971E+01 Qxc -0.3820457E+01 3,+1 125 3 -1 -0.032469 3.164832 -3.161414 Rho 0.2472482E+00 |GRAD(Rho)| 0.2203483E-13 GRAD(Rho)x -0.1576571E-13 GRAD(Rho)y -0.1299557E-13 GRAD(Rho)z -0.8251754E-14 Laplacian 0.9165364E+00 (-1/4)Del**2(Rho)) -0.2291341E+00 Diamond 0.3336135E+01 Metallicity 0.7322938E+01 Ellipticity 0.2914632E-02 Gb(Abramov) 0.4324119E+00 Vb(Abramov) -0.6356896E+00 Hb(Abramov) -0.2032778E+00 Ex_ueg -0.1146118E+00 Ec_ueg -0.1494160E-01 Delta_ex -0.1114809E+00 Delta_ec 0.1985239E-01 Delta_et -0.2742470E+00 Pxc 0.7670650E+01 Qxc -0.5615490E+01 3,-1 126 3 -1 0.029747 2.891160 -0.064505 Rho 0.5535444E-02 |GRAD(Rho)| 0.2699511E-15 GRAD(Rho)x -0.1007455E-15 GRAD(Rho)y 0.2320784E-15 GRAD(Rho)z 0.9414655E-16 Laplacian 0.2228148E-01 (-1/4)Del**2(Rho)) -0.5570369E-02 Diamond 0.6858075E-03 Metallicity 0.5357021E+00 Ellipticity 0.3223950E+01 Gb(Abramov) 0.4210922E-02 Vb(Abramov) -0.2851476E-02 Hb(Abramov) 0.1359447E-02 Ex_ueg -0.7231944E-03 Ec_ueg -0.1700274E-03 Delta_ex -0.1202932E-02 Delta_ec 0.8319452E-03 Delta_et -0.4606154E-02 Pxc 0.4253398E+01 Qxc -0.1445927E+01 3,-1 127 3 -1 0.081544 3.222271 3.170773 Rho 0.2362526E+00 |GRAD(Rho)| 0.5014493E-14 GRAD(Rho)x 0.1725955E-14 GRAD(Rho)y -0.4613551E-14 GRAD(Rho)z -0.9388107E-15 Laplacian 0.8494783E+00 (-1/4)Del**2(Rho)) -0.2123696E+00 Diamond 0.2958236E+01 Metallicity 0.7324116E+01 Ellipticity 0.2746186E-02 Gb(Abramov) 0.4008163E+00 Vb(Abramov) -0.5892630E+00 Hb(Abramov) -0.1884467E+00 Ex_ueg -0.1078666E+00 Ec_ueg -0.1418045E-01 Delta_ex -0.1022693E+00 Delta_ec 0.1895254E-01 Delta_et -0.2628067E+00 Pxc 0.7606715E+01 Qxc -0.5396074E+01 3,-1 128 3 -1 0.426613 0.412712 -0.509849 Rho 0.1788201E+00 |GRAD(Rho)| 0.3814657E-15 GRAD(Rho)x 0.2844947E-15 GRAD(Rho)y 0.2081668E-16 GRAD(Rho)z -0.2532696E-15 Laplacian 0.4744896E+00 (-1/4)Del**2(Rho)) -0.1186224E+00 Diamond 0.1211005E+01 Metallicity 0.8242903E+01 Ellipticity 0.3524887E-02 Gb(Abramov) 0.2420471E+00 Vb(Abramov) -0.3654718E+00 Hb(Abramov) -0.1234247E+00 Ex_ueg -0.7440578E-01 Ec_ueg -0.1031329E-01 Delta_ex -0.5341698E-01 Delta_ec 0.1184126E-01 Delta_et -0.1620583E+00 Pxc 0.7214557E+01 Qxc -0.4511090E+01 3,-1 129 3 -1 -0.046328 0.064592 2.927547 Rho 0.5266974E-02 |GRAD(Rho)| 0.1427047E-14 GRAD(Rho)x -0.1294171E-14 GRAD(Rho)y 0.5625280E-15 GRAD(Rho)z -0.2124803E-15 Laplacian 0.2116464E-01 (-1/4)Del**2(Rho)) -0.5291160E-02 Diamond 0.6078923E-03 Metallicity 0.5191239E+00 Ellipticity 0.4600381E+01 Gb(Abramov) 0.3985234E-02 Vb(Abramov) -0.2679309E-02 Hb(Abramov) 0.1305925E-02 Ex_ueg -0.6768098E-03 Ec_ueg -0.1584198E-03 Delta_ex -0.1131014E-02 Delta_ec 0.7879991E-03 Delta_et -0.4297997E-02 Pxc 0.4272255E+01 Qxc -0.1435299E+01 3,-1 130 3 +1 1.702074 -0.549520 -0.539199 Rho 0.8174884E-02 |GRAD(Rho)| 0.3239804E-13 GRAD(Rho)x 0.1244073E-13 GRAD(Rho)y -0.2906684E-13 GRAD(Rho)z 0.7069675E-14 Laplacian 0.3209011E-01 (-1/4)Del**2(Rho)) -0.8022528E-02 Diamond 0.7860758E-03 Metallicity 0.7123793E+00 Ellipticity -0.1397826E+01 Gb(Abramov) 0.6300866E-02 Vb(Abramov) -0.4579204E-02 Hb(Abramov) 0.1721662E-02 Ex_ueg -0.1216262E-02 Ec_ueg -0.2859996E-03 Delta_ex -0.1439933E-02 Delta_ec 0.4383168E-03 Delta_et -0.2967935E-02 Pxc 0.4252671E+01 Qxc -0.3285143E+01 3,+1 131 3 -1 -0.069878 -3.258016 3.130121 Rho 0.2354077E+00 |GRAD(Rho)| 0.6900715E-15 GRAD(Rho)x 0.2015532E-15 GRAD(Rho)y 0.5709409E-15 GRAD(Rho)z -0.3310611E-15 Laplacian 0.8522397E+00 (-1/4)Del**2(Rho)) -0.2130599E+00 Diamond 0.2950892E+01 Metallicity 0.7256924E+01 Ellipticity 0.4921822E-02 Gb(Abramov) 0.3997332E+00 Vb(Abramov) -0.5864065E+00 Hb(Abramov) -0.1866733E+00 Ex_ueg -0.1073526E+00 Ec_ueg -0.1412224E-01 Delta_ex -0.1024832E+00 Delta_ec 0.1899325E-01 Delta_et -0.2631574E+00 Pxc 0.7601671E+01 Qxc -0.5395767E+01 3,-1 132 3 -1 0.810520 -2.013618 2.963442 Rho 0.1098716E+00 |GRAD(Rho)| 0.6916091E-14 GRAD(Rho)x -0.4609458E-14 GRAD(Rho)y -0.4512880E-14 GRAD(Rho)z -0.2493817E-14 Laplacian 0.4260633E+00 (-1/4)Del**2(Rho)) -0.1065158E+00 Diamond 0.5896223E+00 Metallicity 0.4076446E+01 Ellipticity 0.2477381E-01 Gb(Abramov) 0.1433782E+00 Vb(Abramov) -0.1802406E+00 Hb(Abramov) -0.3686238E-01 Ex_ueg -0.3886564E-01 Ec_ueg -0.5926825E-02 Delta_ex -0.4238744E-01 Delta_ec 0.1152655E-01 Delta_et -0.1456501E+00 Pxc 0.6557582E+01 Qxc -0.3677375E+01 3,-1 133 3 -1 0.518246 -1.785849 1.673263 Rho 0.4485127E-01 |GRAD(Rho)| 0.6536545E-16 GRAD(Rho)x -0.2596950E-16 GRAD(Rho)y -0.5972810E-16 GRAD(Rho)z 0.5548066E-17 Laplacian 0.1852442E+00 (-1/4)Del**2(Rho)) -0.4631104E-01 Diamond 0.8261316E-01 Metallicity 0.2106169E+01 Ellipticity 0.1005777E-01 Gb(Abramov) 0.4713051E-01 Vb(Abramov) -0.4794998E-01 Hb(Abramov) -0.8194681E-03 Ex_ueg -0.1176932E-01 Ec_ueg -0.2132313E-02 Delta_ex -0.1491791E-01 Delta_ec 0.5666687E-02 Delta_et -0.5809667E-01 Pxc 0.5519511E+01 Qxc -0.2632563E+01 3,-1 134 3 -1 0.546041 1.686282 -1.714955 Rho 0.5395426E-01 |GRAD(Rho)| 0.4087035E-15 GRAD(Rho)x -0.7639644E-16 GRAD(Rho)y 0.2968588E-15 GRAD(Rho)z -0.2703276E-15 Laplacian 0.2172987E+00 (-1/4)Del**2(Rho)) -0.5432466E-01 Diamond 0.1211197E+00 Metallicity 0.2443050E+01 Ellipticity 0.1356292E-01 Gb(Abramov) 0.5833609E-01 Vb(Abramov) -0.6234751E-01 Hb(Abramov) -0.4011421E-02 Ex_ueg -0.1505749E-01 Ec_ueg -0.2634589E-02 Delta_ex -0.1819281E-01 Delta_ec 0.6398354E-02 Delta_et -0.6878966E-01 Pxc 0.5715311E+01 Qxc -0.2843358E+01 3,-1 135 3 +1 1.344420 1.093649 -2.178434 Rho 0.2937001E-01 |GRAD(Rho)| 0.8844283E-16 GRAD(Rho)x 0.4607285E-16 GRAD(Rho)y -0.1756293E-16 GRAD(Rho)z -0.7342323E-16 Laplacian 0.1189530E+00 (-1/4)Del**2(Rho)) -0.2973825E-01 Diamond 0.2007438E-01 Metallicity 0.1619613E+01 Ellipticity -0.5389625E+01 Gb(Abramov) 0.2785291E-01 Vb(Abramov) -0.2596757E-01 Hb(Abramov) 0.1885342E-02 Ex_ueg -0.6692533E-02 Ec_ueg -0.1311157E-02 Delta_ex -0.7782272E-02 Delta_ec 0.2120401E-02 Delta_et -0.1944796E-01 Pxc 0.5104294E+01 Qxc -0.3670189E+01 3,+1 136 3 -1 1.763589 0.516917 -1.745200 Rho 0.4436801E-01 |GRAD(Rho)| 0.5158631E-16 GRAD(Rho)x 0.3158289E-16 GRAD(Rho)y -0.2365424E-16 GRAD(Rho)z -0.3322868E-16 Laplacian 0.1762554E+00 (-1/4)Del**2(Rho)) -0.4406384E-01 Diamond 0.7458244E-01 Metallicity 0.2173973E+01 Ellipticity 0.2268354E-01 Gb(Abramov) 0.4534149E-01 Vb(Abramov) -0.4661914E-01 Hb(Abramov) -0.1277650E-02 Ex_ueg -0.1160054E-01 Ec_ueg -0.2106008E-02 Delta_ex -0.1401067E-01 Delta_ec 0.5132832E-02 Delta_et -0.5242356E-01 Pxc 0.5508308E+01 Qxc -0.2729618E+01 3,-1 137 3 -1 0.564988 1.837613 2.757006 Rho 0.1505794E+00 |GRAD(Rho)| 0.1196532E-11 GRAD(Rho)x -0.8865049E-12 GRAD(Rho)y 0.7512167E-13 GRAD(Rho)z -0.8000963E-12 Laplacian 0.6329696E+00 (-1/4)Del**2(Rho)) -0.1582424E+00 Diamond 0.1265949E+01 Metallicity 0.4639874E+01 Ellipticity 0.2565054E-01 Gb(Abramov) 0.2278657E+00 Vb(Abramov) -0.2974891E+00 Hb(Abramov) -0.6962334E-01 Ex_ueg -0.5916603E-01 Ec_ueg -0.8480614E-02 Delta_ex -0.6781430E-01 Delta_ec 0.1564257E-01 Delta_et -0.2074126E+00 Pxc 0.6976621E+01 Qxc -0.4335241E+01 3,-1 138 3 +1 0.147422 2.887656 -0.176901 Rho 0.5521444E-02 |GRAD(Rho)| 0.8810436E-15 GRAD(Rho)x 0.5356682E-15 GRAD(Rho)y 0.4277711E-16 GRAD(Rho)z -0.6981887E-15 Laplacian 0.2272162E-01 (-1/4)Del**2(Rho)) -0.5680406E-02 Diamond 0.6055127E-03 Metallicity 0.5231123E+00 Ellipticity -0.3605060E+01 Gb(Abramov) 0.4282186E-02 Vb(Abramov) -0.2883965E-02 Hb(Abramov) 0.1398220E-02 Ex_ueg -0.7207566E-03 Ec_ueg -0.1694212E-03 Delta_ex -0.1151714E-02 Delta_ec 0.7155272E-03 Delta_et -0.4003284E-02 Pxc 0.4254228E+01 Qxc -0.1609602E+01 3,+1 139 3 -1 0.559279 2.812379 1.784272 Rho 0.1342627E+00 |GRAD(Rho)| 0.5417902E-15 GRAD(Rho)x -0.3586676E-15 GRAD(Rho)y -0.1140377E-15 GRAD(Rho)z 0.3897300E-15 Laplacian 0.5584402E+00 (-1/4)Del**2(Rho)) -0.1396100E+00 Diamond 0.9806880E+00 Metallicity 0.4344058E+01 Ellipticity 0.1204114E-01 Gb(Abramov) 0.1941524E+00 Vb(Abramov) -0.2486947E+00 Hb(Abramov) -0.5454234E-01 Ex_ueg -0.5077606E-01 Ec_ueg -0.7443846E-02 Delta_ex -0.5825659E-01 Delta_ec 0.1435378E-01 Delta_et -0.1875606E+00 Pxc 0.6821213E+01 Qxc -0.4058625E+01 3,-1 140 3 -1 0.424151 -0.517295 0.423996 Rho 0.1814218E+00 |GRAD(Rho)| 0.3724659E-14 GRAD(Rho)x -0.2286366E-14 GRAD(Rho)y 0.2015749E-14 GRAD(Rho)z -0.2140649E-14 Laplacian 0.4835407E+00 (-1/4)Del**2(Rho)) -0.1208852E+00 Diamond 0.1256977E+01 Metallicity 0.8285702E+01 Ellipticity 0.2868933E-02 Gb(Abramov) 0.2475266E+00 Vb(Abramov) -0.3741679E+00 Hb(Abramov) -0.1266414E+00 Ex_ueg -0.7585271E-01 Ec_ueg -0.1048447E-01 Delta_ex -0.5464302E-01 Delta_ec 0.1203955E-01 Delta_et -0.1650941E+00 Pxc 0.7234767E+01 Qxc -0.4538627E+01 3,-1 141 3 +3 1.021819 -1.154741 -1.223994 Rho 0.4460594E-02 |GRAD(Rho)| 0.7324951E-17 GRAD(Rho)x 0.2094046E-17 GRAD(Rho)y 0.2688034E-17 GRAD(Rho)z -0.6484161E-17 Laplacian 0.1725372E-01 (-1/4)Del**2(Rho)) -0.4313430E-02 Diamond 0.1350732E-03 Metallicity 0.4827456E+00 Ellipticity -0.5641849E+00 Gb(Abramov) 0.3222668E-02 Vb(Abramov) -0.2131906E-02 Hb(Abramov) 0.1090762E-02 Ex_ueg -0.5423030E-03 Ec_ueg -0.1237743E-03 Delta_ex -0.6121873E-03 Delta_ec 0.1377947E-03 Delta_et -0.8888395E-03 Pxc 0.4381385E+01 Qxc -0.4442751E+01 3,+3 142 3 -1 0.888276 1.956097 -2.969987 Rho 0.1337434E+00 |GRAD(Rho)| 0.2380967E-15 GRAD(Rho)x -0.2096169E-15 GRAD(Rho)y 0.1111443E-15 GRAD(Rho)z -0.1994254E-16 Laplacian 0.5261552E+00 (-1/4)Del**2(Rho)) -0.1315388E+00 Diamond 0.9323203E+00 Metallicity 0.4580927E+01 Ellipticity 0.3276268E-01 Gb(Abramov) 0.1881208E+00 Vb(Abramov) -0.2447028E+00 Hb(Abramov) -0.5658201E-01 Ex_ueg -0.5051438E-01 Ec_ueg -0.7411129E-02 Delta_ex -0.5498349E-01 Delta_ec 0.1379820E-01 Delta_et -0.1807091E+00 Pxc 0.6816017E+01 Qxc -0.3984830E+01 3,-1 143 3 -1 1.211136 -2.297301 -1.997943 Rho 0.4274118E-01 |GRAD(Rho)| 0.4531851E-16 GRAD(Rho)x 0.1044325E-16 GRAD(Rho)y 0.8192093E-17 GRAD(Rho)z 0.4333122E-16 Laplacian 0.1216268E+00 (-1/4)Del**2(Rho)) -0.3040670E-01 Diamond 0.7624589E-01 Metallicity 0.2960248E+01 Ellipticity 0.1529699E-01 Gb(Abramov) 0.3527303E-01 Vb(Abramov) -0.4013935E-01 Hb(Abramov) -0.4866329E-02 Ex_ueg -0.1103690E-01 Ec_ueg -0.2017747E-02 Delta_ex -0.1103005E-01 Delta_ec 0.6135122E-02 Delta_et -0.6247066E-01 Pxc 0.5469911E+01 Qxc -0.1797853E+01 3,-1 144 3 +1 1.403065 -2.198677 1.032578 Rho 0.2676411E-01 |GRAD(Rho)| 0.4725446E-16 GRAD(Rho)x -0.1959414E-17 GRAD(Rho)y 0.4021929E-16 GRAD(Rho)z -0.2472962E-16 Laplacian 0.1057192E+00 (-1/4)Del**2(Rho)) -0.2642981E-01 Diamond 0.1468434E-01 Metallicity 0.1560919E+01 Ellipticity -0.3251551E+01 Gb(Abramov) 0.2449567E-01 Vb(Abramov) -0.2256154E-01 Hb(Abramov) 0.1934137E-02 Ex_ueg -0.5912739E-02 Ec_ueg -0.1177938E-02 Delta_ex -0.6646325E-02 Delta_ec 0.1704790E-02 Delta_et -0.1531639E-01 Pxc 0.5019568E+01 Qxc -0.3898617E+01 3,+1 145 3 +1 2.175822 -1.437695 1.007884 Rho 0.2543260E-01 |GRAD(Rho)| 0.1039921E-15 GRAD(Rho)x 0.7686519E-17 GRAD(Rho)y -0.9139028E-16 GRAD(Rho)z -0.4902143E-16 Laplacian 0.9837238E-01 (-1/4)Del**2(Rho)) -0.2459309E-01 Diamond 0.1161522E-01 Metallicity 0.1540723E+01 Ellipticity -0.2401903E+01 Gb(Abramov) 0.2271059E-01 Vb(Abramov) -0.2082808E-01 Hb(Abramov) 0.1882506E-02 Ex_ueg -0.5523819E-02 Ec_ueg -0.1110520E-02 Delta_ex -0.5980932E-02 Delta_ec 0.1373976E-02 Delta_et -0.1224416E-01 Pxc 0.4974085E+01 Qxc -0.4353011E+01 3,+1 146 3 -1 0.883172 2.977962 -1.970073 Rho 0.1621083E+00 |GRAD(Rho)| 0.2507217E-13 GRAD(Rho)x -0.2421950E-13 GRAD(Rho)y -0.1932170E-14 GRAD(Rho)z 0.6188369E-14 Laplacian 0.6352100E+00 (-1/4)Del**2(Rho)) -0.1588025E+00 Diamond 0.1415332E+01 Metallicity 0.5228432E+01 Ellipticity 0.5917919E-01 Gb(Abramov) 0.2442497E+00 Vb(Abramov) -0.3296969E+00 Hb(Abramov) -0.8544718E-01 Ex_ueg -0.6528182E-01 Ec_ueg -0.9223075E-02 Delta_ex -0.6955718E-01 Delta_ec 0.1584209E-01 Delta_et -0.2131610E+00 Pxc 0.7078097E+01 Qxc -0.4390657E+01 3,-1 147 3 +1 2.966402 -0.109505 0.183699 Rho 0.4985269E-02 |GRAD(Rho)| 0.4759700E-17 GRAD(Rho)x -0.1495035E-17 GRAD(Rho)y 0.2496310E-17 GRAD(Rho)z 0.3766703E-17 Laplacian 0.2034602E-01 (-1/4)Del**2(Rho)) -0.5086506E-02 Diamond 0.4699812E-03 Metallicity 0.4927364E+00 Ellipticity -0.2880468E+01 Gb(Abramov) 0.3808722E-02 Vb(Abramov) -0.2530938E-02 Hb(Abramov) 0.1277784E-02 Ex_ueg -0.6289796E-03 Ec_ueg -0.1462789E-03 Delta_ex -0.1008574E-02 Delta_ec 0.6363342E-03 Delta_et -0.3454526E-02 Pxc 0.4299865E+01 Qxc -0.1584975E+01 3,+1 148 3 -1 1.791846 0.541455 2.777949 Rho 0.1163819E+00 |GRAD(Rho)| 0.2041831E-15 GRAD(Rho)x -0.9807964E-16 GRAD(Rho)y 0.1712701E-15 GRAD(Rho)z -0.5232292E-16 Laplacian 0.4898479E+00 (-1/4)Del**2(Rho)) -0.1224620E+00 Diamond 0.7357936E+00 Metallicity 0.3902662E+01 Ellipticity 0.1826224E-01 Gb(Abramov) 0.1612960E+00 Vb(Abramov) -0.2001299E+00 Hb(Abramov) -0.3883397E-01 Ex_ueg -0.4196614E-01 Ec_ueg -0.6327676E-02 Delta_ex -0.4953253E-01 Delta_ec 0.1330891E-01 Delta_et -0.1702975E+00 Pxc 0.6632157E+01 Qxc -0.3721757E+01 3,-1 149 3 -1 1.844155 -2.830326 -0.615198 Rho 0.2013783E+00 |GRAD(Rho)| 0.3807206E-15 GRAD(Rho)x -0.9183192E-16 GRAD(Rho)y 0.1637145E-16 GRAD(Rho)z -0.3691166E-15 Laplacian 0.7702573E+00 (-1/4)Del**2(Rho)) -0.1925643E+00 Diamond 0.2189910E+01 Metallicity 0.6189635E+01 Ellipticity 0.7366592E-02 Gb(Abramov) 0.3270267E+00 Vb(Abramov) -0.4614891E+00 Hb(Abramov) -0.1344624E+00 Ex_ueg -0.8717699E-01 Ec_ueg -0.1181030E-01 Delta_ex -0.8882830E-01 Delta_ec 0.1769693E-01 Delta_et -0.2420466E+00 Pxc 0.7381436E+01 Qxc -0.5019418E+01 3,-1 150 3 +1 1.914818 -1.776790 -1.732271 Rho 0.1364724E-01 |GRAD(Rho)| 0.3031342E-13 GRAD(Rho)x 0.6461585E-14 GRAD(Rho)y -0.1624289E-13 GRAD(Rho)z 0.2476529E-13 Laplacian 0.6439534E-01 (-1/4)Del**2(Rho)) -0.1609884E-01 Diamond 0.3084048E-02 Metallicity 0.8340009E+00 Ellipticity -0.1370490E+01 Gb(Abramov) 0.1297030E-01 Vb(Abramov) -0.9841760E-02 Hb(Abramov) 0.3128538E-02 Ex_ueg -0.2408674E-02 Ec_ueg -0.5361353E-03 Delta_ex -0.3276419E-02 Delta_ec 0.8381917E-03 Delta_et -0.6482939E-02 Pxc 0.4492660E+01 Qxc -0.3908914E+01 3,+1 151 3 -1 2.014695 -3.001324 0.815591 Rho 0.1108348E+00 |GRAD(Rho)| 0.2490289E-15 GRAD(Rho)x -0.1639110E-15 GRAD(Rho)y 0.6403908E-16 GRAD(Rho)z -0.1762032E-15 Laplacian 0.4254651E+00 (-1/4)Del**2(Rho)) -0.1063663E+00 Diamond 0.6021928E+00 Metallicity 0.4141991E+01 Ellipticity 0.2530063E-01 Gb(Abramov) 0.1443389E+00 Vb(Abramov) -0.1823115E+00 Hb(Abramov) -0.3797261E-01 Ex_ueg -0.3932056E-01 Ec_ueg -0.5985932E-02 Delta_ex -0.4252240E-01 Delta_ec 0.1167855E-01 Delta_et -0.1480880E+00 Pxc 0.6568829E+01 Qxc -0.3641069E+01 3,-1 152 3 -1 1.713539 -1.760472 0.455652 Rho 0.4247421E-01 |GRAD(Rho)| 0.2499478E-15 GRAD(Rho)x 0.1923705E-15 GRAD(Rho)y -0.1256963E-15 GRAD(Rho)z -0.9832570E-16 Laplacian 0.1729717E+00 (-1/4)Del**2(Rho)) -0.4324292E-01 Diamond 0.7202499E-01 Metallicity 0.2059904E+01 Ellipticity 0.8752590E-02 Gb(Abramov) 0.4367466E-01 Vb(Abramov) -0.4410640E-01 Hb(Abramov) -0.4317400E-03 Ex_ueg -0.1094508E-01 Ec_ueg -0.2003307E-02 Delta_ex -0.1376356E-01 Delta_ec 0.5330312E-02 Delta_et -0.5386146E-01 Pxc 0.5463506E+01 Qxc -0.2582129E+01 3,-1 153 3 +1 1.452088 2.128182 -1.002773 Rho 0.2550397E-01 |GRAD(Rho)| 0.3593867E-16 GRAD(Rho)x 0.2228622E-16 GRAD(Rho)y 0.2819407E-16 GRAD(Rho)z 0.8141277E-19 Laplacian 0.9874310E-01 (-1/4)Del**2(Rho)) -0.2468577E-01 Diamond 0.1138747E-01 Metallicity 0.1542124E+01 Ellipticity -0.2279291E+01 Gb(Abramov) 0.2280194E-01 Vb(Abramov) -0.2091810E-01 Hb(Abramov) 0.1883835E-02 Ex_ueg -0.5544497E-02 Ec_ueg -0.1114122E-02 Delta_ex -0.5974596E-02 Delta_ec 0.1319341E-02 Delta_et -0.1178052E-01 Pxc 0.4976563E+01 Qxc -0.4528471E+01 3,+1 154 3 -1 1.745157 1.705493 -0.516517 Rho 0.3650276E-01 |GRAD(Rho)| 0.2244539E-16 GRAD(Rho)x 0.1261793E-16 GRAD(Rho)y 0.1083662E-16 GRAD(Rho)z 0.1507152E-16 Laplacian 0.1487473E+00 (-1/4)Del**2(Rho)) -0.3718683E-01 Diamond 0.4972641E-01 Metallicity 0.1860831E+01 Ellipticity 0.1606772E-01 Gb(Abramov) 0.3632429E-01 Vb(Abramov) -0.3546174E-01 Hb(Abramov) 0.8625448E-03 Ex_ueg -0.8943057E-02 Ec_ueg -0.1683653E-02 Delta_ex -0.1135866E-01 Delta_ec 0.4507852E-02 Delta_et -0.4370635E-01 Pxc 0.5311698E+01 Qxc -0.2519750E+01 3,-1 155 3 -1 1.813597 2.800576 0.569163 Rho 0.1332239E+00 |GRAD(Rho)| 0.3090413E-15 GRAD(Rho)x -0.3066124E-15 GRAD(Rho)y 0.3615137E-16 GRAD(Rho)z 0.1372871E-16 Laplacian 0.5527856E+00 (-1/4)Del**2(Rho)) -0.1381964E+00 Diamond 0.9606053E+00 Metallicity 0.4332047E+01 Ellipticity 0.8731009E-02 Gb(Abramov) 0.1919098E+00 Vb(Abramov) -0.2456232E+00 Hb(Abramov) -0.5371342E-01 Ex_ueg -0.5025290E-01 Ec_ueg -0.7378412E-02 Delta_ex -0.5754482E-01 Delta_ec 0.1421154E-01 Delta_et -0.1854324E+00 Pxc 0.6810801E+01 Qxc -0.4049162E+01 3,-1 156 3 -1 2.013079 2.974855 -0.820892 Rho 0.1114186E+00 |GRAD(Rho)| 0.2666303E-15 GRAD(Rho)x 0.2030711E-15 GRAD(Rho)y -0.1072276E-15 GRAD(Rho)z 0.1354846E-15 Laplacian 0.4349844E+00 (-1/4)Del**2(Rho)) -0.1087461E+00 Diamond 0.6125034E+00 Metallicity 0.4086981E+01 Ellipticity 0.2444991E-01 Gb(Abramov) 0.1465713E+00 Vb(Abramov) -0.1843964E+00 Hb(Abramov) -0.3782517E-01 Ex_ueg -0.3959699E-01 Ec_ueg -0.6021798E-02 Delta_ex -0.4342297E-01 Delta_ec 0.1173868E-01 Delta_et -0.1487247E+00 Pxc 0.6575610E+01 Qxc -0.3699135E+01 3,-1 157 3 -1 2.043539 0.845959 -2.997502 Rho 0.1452885E+00 |GRAD(Rho)| 0.1208262E-11 GRAD(Rho)x -0.6960035E-12 GRAD(Rho)y 0.8439484E-12 GRAD(Rho)z -0.5130562E-12 Laplacian 0.5714572E+00 (-1/4)Del**2(Rho)) -0.1428643E+00 Diamond 0.1121570E+01 Metallicity 0.4841888E+01 Ellipticity 0.3774450E-01 Gb(Abramov) 0.2105317E+00 Vb(Abramov) -0.2781991E+00 Hb(Abramov) -0.6766740E-01 Ex_ueg -0.5641050E-01 Ec_ueg -0.8142594E-02 Delta_ex -0.6096399E-01 Delta_ec 0.1474514E-01 Delta_et -0.1956889E+00 Pxc 0.6927829E+01 Qxc -0.4134516E+01 3,-1 158 3 +3 2.339189 0.012120 0.035390 Rho 0.4236013E-02 |GRAD(Rho)| 0.8022088E-17 GRAD(Rho)x -0.3311634E-17 GRAD(Rho)y 0.7236054E-17 GRAD(Rho)z 0.1013164E-17 Laplacian 0.1732906E-01 (-1/4)Del**2(Rho)) -0.4332264E-02 Diamond 0.1373685E-03 Metallicity 0.4409951E+00 Ellipticity -0.2778193E+00 Gb(Abramov) 0.3206594E-02 Vb(Abramov) -0.2080924E-02 Hb(Abramov) 0.1125670E-02 Ex_ueg -0.5062070E-03 Ec_ueg -0.1141850E-03 Delta_ex -0.6193025E-03 Delta_ec 0.1609356E-03 Delta_et -0.9893604E-03 Pxc 0.4433220E+01 Qxc -0.3848139E+01 3,+3 159 3 -1 1.709866 -0.586025 1.722137 Rho 0.4399984E-01 |GRAD(Rho)| 0.6741079E-16 GRAD(Rho)x -0.1249670E-16 GRAD(Rho)y -0.1439225E-16 GRAD(Rho)z 0.6465995E-16 Laplacian 0.1760535E+00 (-1/4)Del**2(Rho)) -0.4401339E-01 Diamond 0.7378183E-01 Metallicity 0.2146447E+01 Ellipticity 0.2436485E-01 Gb(Abramov) 0.4508766E-01 Vb(Abramov) -0.4616194E-01 Hb(Abramov) -0.1074275E-02 Ex_ueg -0.1147237E-01 Ec_ueg -0.2085995E-02 Delta_ex -0.1397177E-01 Delta_ec 0.5138601E-02 Delta_et -0.5236912E-01 Pxc 0.5499712E+01 Qxc -0.2718983E+01 3,-1 160 3 -1 2.762450 0.544227 1.853052 Rho 0.1182319E+00 |GRAD(Rho)| 0.3542719E-15 GRAD(Rho)x 0.1574770E-15 GRAD(Rho)y 0.6863000E-16 GRAD(Rho)z -0.3098379E-15 Laplacian 0.4952982E+00 (-1/4)Del**2(Rho)) -0.1238246E+00 Diamond 0.7608147E+00 Metallicity 0.3962513E+01 Ellipticity 0.1768449E-01 Gb(Abramov) 0.1643258E+00 Vb(Abramov) -0.2048270E+00 Hb(Abramov) -0.4050122E-01 Ex_ueg -0.4285793E-01 Ec_ueg -0.6442138E-02 Delta_ex -0.5030686E-01 Delta_ec 0.1347121E-01 Delta_et -0.1729620E+00 Pxc 0.6652749E+01 Qxc -0.3734399E+01 3,-1 161 3 -1 2.996926 -0.871865 2.024751 Rho 0.1806523E+00 |GRAD(Rho)| 0.2743417E-15 GRAD(Rho)x -0.3865181E-16 GRAD(Rho)y -0.1166059E-15 GRAD(Rho)z -0.2453007E-15 Laplacian 0.7016586E+00 (-1/4)Del**2(Rho)) -0.1754147E+00 Diamond 0.1776331E+01 Metallicity 0.5669694E+01 Ellipticity 0.5390326E-01 Gb(Abramov) 0.2827010E+00 Vb(Abramov) -0.3899874E+00 Hb(Abramov) -0.1072863E+00 Ex_ueg -0.7542400E-01 Ec_ueg -0.1043380E-01 Delta_ex -0.7890905E-01 Delta_ec 0.1695727E-01 Delta_et -0.2308673E+00 Pxc 0.7228817E+01 Qxc -0.4653406E+01 3,-1 162 3 -1 2.869036 -0.531657 -1.801150 Rho 0.1407731E+00 |GRAD(Rho)| 0.3557858E-12 GRAD(Rho)x -0.4312229E-13 GRAD(Rho)y 0.2344801E-12 GRAD(Rho)z -0.2640891E-12 Laplacian 0.5791161E+00 (-1/4)Del**2(Rho)) -0.1447790E+00 Diamond 0.1090115E+01 Metallicity 0.4532943E+01 Ellipticity 0.1661711E-01 Gb(Abramov) 0.2058985E+00 Vb(Abramov) -0.2670180E+00 Hb(Abramov) -0.6111949E-01 Ex_ueg -0.5408513E-01 Ec_ueg -0.7855500E-02 Delta_ex -0.6126193E-01 Delta_ec 0.1497726E-01 Delta_et -0.1976664E+00 Pxc 0.6885002E+01 Qxc -0.4090329E+01 3,-1 163 3 -1 3.165803 0.004518 3.249609 Rho 0.2461829E+00 |GRAD(Rho)| 0.2742252E-10 GRAD(Rho)x 0.1835800E-10 GRAD(Rho)y 0.5833988E-11 GRAD(Rho)z 0.1951777E-10 Laplacian 0.8988875E+00 (-1/4)Del**2(Rho)) -0.2247219E+00 Diamond 0.3269680E+01 Metallicity 0.7413174E+01 Ellipticity 0.3241528E-02 Gb(Abramov) 0.4274650E+00 Vb(Abramov) -0.6302081E+00 Hb(Abramov) -0.2027431E+00 Ex_ueg -0.1139538E+00 Ec_ueg -0.1486756E-01 Delta_ex -0.1092863E+00 Delta_ec 0.1963106E-01 Delta_et -0.2717893E+00 Pxc 0.7664592E+01 Qxc -0.5567007E+01 3,-1 164 3 -1 3.207622 -3.205089 -0.119611 Rho 0.2316932E+00 |GRAD(Rho)| 0.4555079E-10 GRAD(Rho)x 0.3323533E-10 GRAD(Rho)y -0.3067536E-10 GRAD(Rho)z -0.5413841E-11 Laplacian 0.8394361E+00 (-1/4)Del**2(Rho)) -0.2098590E+00 Diamond 0.2852189E+01 Metallicity 0.7174874E+01 Ellipticity 0.1152374E-01 Gb(Abramov) 0.3908581E+00 Vb(Abramov) -0.5718571E+00 Hb(Abramov) -0.1809990E+00 Ex_ueg -0.1051000E+00 Ec_ueg -0.1386678E-01 Delta_ex -0.1005306E+00 Delta_ec 0.1880232E-01 Delta_et -0.2603660E+00 Pxc 0.7579267E+01 Qxc -0.5346713E+01 3,-1 165 3 -1 3.043644 0.883141 -1.971238 Rho 0.1359040E+00 |GRAD(Rho)| 0.1932366E-15 GRAD(Rho)x -0.3024246E-16 GRAD(Rho)y -0.1653273E-15 GRAD(Rho)z -0.9535558E-16 Laplacian 0.5478280E+00 (-1/4)Del**2(Rho)) -0.1369570E+00 Diamond 0.9906962E+00 Metallicity 0.4518797E+01 Ellipticity 0.2683732E-01 Gb(Abramov) 0.1944515E+00 Vb(Abramov) -0.2519460E+00 Hb(Abramov) -0.5749447E-01 Ex_ueg -0.5160536E-01 Ec_ueg -0.7547370E-02 Delta_ex -0.5748331E-01 Delta_ec 0.1433363E-01 Delta_et -0.1882409E+00 Pxc 0.6837529E+01 Qxc -0.4010382E+01 3,-1 166 3 -1 2.785432 1.828364 0.621619 Rho 0.1510559E+00 |GRAD(Rho)| 0.1546511E-15 GRAD(Rho)x 0.4086087E-16 GRAD(Rho)y 0.1165924E-15 GRAD(Rho)z -0.9302455E-16 Laplacian 0.6386506E+00 (-1/4)Del**2(Rho)) -0.1596626E+00 Diamond 0.1280780E+01 Metallicity 0.4622880E+01 Ellipticity 0.2879087E-01 Gb(Abramov) 0.2294586E+00 Vb(Abramov) -0.2992546E+00 Hb(Abramov) -0.6979598E-01 Ex_ueg -0.5941579E-01 Ec_ueg -0.8511140E-02 Delta_ex -0.6846272E-01 Delta_ec 0.1574597E-01 Delta_et -0.2088121E+00 Pxc 0.6980944E+01 Qxc -0.4347951E+01 3,-1 167 3 -1 3.015864 2.009332 -0.801370 Rho 0.1371119E+00 |GRAD(Rho)| 0.2697219E-15 GRAD(Rho)x -0.1216136E-15 GRAD(Rho)y -0.1715682E-15 GRAD(Rho)z 0.1688916E-15 Laplacian 0.5402743E+00 (-1/4)Del**2(Rho)) -0.1350686E+00 Diamond 0.9762724E+00 Metallicity 0.4650046E+01 Ellipticity 0.4439602E-01 Gb(Abramov) 0.1947249E+00 Vb(Abramov) -0.2543813E+00 Hb(Abramov) -0.5965634E-01 Ex_ueg -0.5221779E-01 Ec_ueg -0.7623665E-02 Delta_ex -0.5668659E-01 Delta_ec 0.1388121E-01 Delta_et -0.1821006E+00 Pxc 0.6849434E+01 Qxc -0.4083694E+01 3,-1 168 3 -1 2.978380 -1.983806 0.814096 Rho 0.8663326E-01 |GRAD(Rho)| 0.2087710E-15 GRAD(Rho)x 0.5401021E-16 GRAD(Rho)y 0.3263618E-16 GRAD(Rho)z 0.1990053E-15 Laplacian 0.3437083E+00 (-1/4)Del**2(Rho)) -0.8592708E-01 Diamond 0.3562033E+00 Metallicity 0.3400668E+01 Ellipticity 0.2612762E-02 Gb(Abramov) 0.1059863E+00 Vb(Abramov) -0.1260455E+00 Hb(Abramov) -0.2005921E-01 Ex_ueg -0.2831161E-01 Ec_ueg -0.4522728E-02 Delta_ex -0.3233791E-01 Delta_ec 0.9765772E-02 Delta_et -0.1176459E+00 Pxc 0.6259853E+01 Qxc -0.3311353E+01 3,-1 169 3 -1 2.820872 -1.798560 -0.605186 Rho 0.1299993E+00 |GRAD(Rho)| 0.3806629E-13 GRAD(Rho)x 0.3325699E-13 GRAD(Rho)y -0.1508583E-13 GRAD(Rho)z -0.1074396E-13 Laplacian 0.5363344E+00 (-1/4)Del**2(Rho)) -0.1340836E+00 Diamond 0.9086330E+00 Metallicity 0.4286268E+01 Ellipticity 0.1016480E-01 Gb(Abramov) 0.1851754E+00 Vb(Abramov) -0.2362672E+00 Hb(Abramov) -0.5109183E-01 Ex_ueg -0.4863771E-01 Ec_ueg -0.7175757E-02 Delta_ex -0.5554580E-01 Delta_ec 0.1394902E-01 Delta_et -0.1814570E+00 Pxc 0.6778059E+01 Qxc -0.3982057E+01 3,-1 170 3 -1 3.215315 3.198850 0.123370 Rho 0.2377956E+00 |GRAD(Rho)| 0.2030893E-12 GRAD(Rho)x -0.1415159E-12 GRAD(Rho)y -0.1396494E-12 GRAD(Rho)z -0.4143143E-13 Laplacian 0.8439014E+00 (-1/4)Del**2(Rho)) -0.2109754E+00 Diamond 0.2971406E+01 Metallicity 0.7452943E+01 Ellipticity 0.6516811E-03 Gb(Abramov) 0.4027148E+00 Vb(Abramov) -0.5944543E+00 Hb(Abramov) -0.1917395E+00 Ex_ueg -0.1088070E+00 Ec_ueg -0.1428686E-01 Delta_ex -0.1018215E+00 Delta_ec 0.1888330E-01 Delta_et -0.2623101E+00 Pxc 0.7615877E+01 Qxc -0.5392144E+01 3,-1 171 3 -1 3.320940 0.018787 -3.189585 Rho 0.2472638E+00 |GRAD(Rho)| 0.1018194E-14 GRAD(Rho)x -0.8027433E-15 GRAD(Rho)y 0.9448822E-16 GRAD(Rho)z 0.6191879E-15 Laplacian 0.8994315E+00 (-1/4)Del**2(Rho)) -0.2248579E+00 Diamond 0.3287333E+01 Metallicity 0.7462988E+01 Ellipticity 0.2648336E-02 Gb(Abramov) 0.4295905E+00 Vb(Abramov) -0.6343232E+00 Hb(Abramov) -0.2047326E+00 Ex_ueg -0.1146214E+00 Ec_ueg -0.1494269E-01 Delta_ex -0.1094697E+00 Delta_ec 0.1960217E-01 Delta_et -0.2713501E+00 Pxc 0.7670739E+01 Qxc -0.5584573E+01 3,-1 172 3 -1 -3.378949 -3.098700 0.101887 Rho 0.2346909E+00 |GRAD(Rho)| 0.3183676E-12 GRAD(Rho)x 0.2383093E-12 GRAD(Rho)y 0.2040143E-12 GRAD(Rho)z -0.5426578E-13 Laplacian 0.8569574E+00 (-1/4)Del**2(Rho)) -0.2142394E+00 Diamond 0.2951642E+01 Metallicity 0.7180382E+01 Ellipticity 0.1684452E-02 Gb(Abramov) 0.3992130E+00 Vb(Abramov) -0.5841866E+00 Hb(Abramov) -0.1849736E+00 Ex_ueg -0.1069170E+00 Ec_ueg -0.1407288E-01 Delta_ex -0.1029428E+00 Delta_ec 0.1906930E-01 Delta_et -0.2639805E+00 Pxc 0.7597376E+01 Qxc -0.5398352E+01 3,-1 173 3 -1 -3.220439 3.127075 -0.039958 Rho 0.2461214E+00 |GRAD(Rho)| 0.9962217E-16 GRAD(Rho)x -0.4629543E-16 GRAD(Rho)y 0.7914676E-16 GRAD(Rho)z 0.3894996E-16 Laplacian 0.9102792E+00 (-1/4)Del**2(Rho)) -0.2275698E+00 Diamond 0.3298209E+01 Metallicity 0.7317355E+01 Ellipticity 0.1630996E-02 Gb(Abramov) 0.4292480E+00 Vb(Abramov) -0.6309263E+00 Hb(Abramov) -0.2016782E+00 Ex_ueg -0.1139159E+00 Ec_ueg -0.1486329E-01 Delta_ex -0.1106027E+00 Delta_ec 0.1977187E-01 Delta_et -0.2732360E+00 Pxc 0.7664241E+01 Qxc -0.5593941E+01 3,-1 174 3 -1 -2.769810 -0.557129 1.894069 Rho 0.1248444E+00 |GRAD(Rho)| 0.3230787E-15 GRAD(Rho)x 0.1056758E-16 GRAD(Rho)y 0.1742787E-15 GRAD(Rho)z 0.2718366E-15 Laplacian 0.5209151E+00 (-1/4)Del**2(Rho)) -0.1302288E+00 Diamond 0.8420717E+00 Metallicity 0.4125355E+01 Ellipticity 0.4975922E-02 Gb(Abramov) 0.1763592E+00 Vb(Abramov) -0.2224895E+00 Hb(Abramov) -0.4613039E-01 Ex_ueg -0.4608332E-01 Ec_ueg -0.6853222E-02 Delta_ex -0.5344388E-01 Delta_ec 0.1371228E-01 Delta_et -0.1772607E+00 Pxc 0.6724329E+01 Qxc -0.3897521E+01 3,-1 175 3 -1 -1.709268 0.515980 1.780507 Rho 0.4247677E-01 |GRAD(Rho)| 0.6515791E-16 GRAD(Rho)x 0.3916299E-16 GRAD(Rho)y -0.8077518E-18 GRAD(Rho)z -0.5206881E-16 Laplacian 0.1748081E+00 (-1/4)Del**2(Rho)) -0.4370201E-01 Diamond 0.7224177E-01 Metallicity 0.2038469E+01 Ellipticity 0.9175809E-02 Gb(Abramov) 0.4398221E-01 Vb(Abramov) -0.4426241E-01 Hb(Abramov) -0.2801964E-03 Ex_ueg -0.1094595E-01 Ec_ueg -0.2003445E-02 Delta_ex -0.1388022E-01 Delta_ec 0.5333931E-02 Delta_et -0.5389088E-01 Pxc 0.5463567E+01 Qxc -0.2602249E+01 3,-1 176 3 -1 -1.735368 -2.233527 -3.016391 Rho 0.3169443E+00 |GRAD(Rho)| 0.5430750E-15 GRAD(Rho)x -0.6267821E-16 GRAD(Rho)y -0.5316851E-15 GRAD(Rho)z 0.9117463E-16 Laplacian -0.1611430E+01 (-1/4)Del**2(Rho)) 0.4028575E+00 Diamond 0.5593106E+01 Metallicity -0.6300476E+01 Ellipticity 0.3056814E-02 Gb(Abramov) 0.1544607E+00 Vb(Abramov) -0.7117788E+00 Hb(Abramov) -0.5573182E+00 Ex_ueg -0.1595986E+00 Ec_ueg -0.1992055E-01 Delta_ex 0.1597719E+00 Delta_ec 0.5639184E-01 Delta_et -0.1332737E+01 Pxc 0.8011756E+01 Qxc 0.2833246E+01 3,-1 177 3 -1 -1.796755 0.536633 -2.830247 Rho 0.1559510E+00 |GRAD(Rho)| 0.3420353E-15 GRAD(Rho)x 0.9007010E-16 GRAD(Rho)y 0.3139172E-15 GRAD(Rho)z 0.1016440E-15 Laplacian 0.6472344E+00 (-1/4)Del**2(Rho)) -0.1618086E+00 Diamond 0.1351294E+01 Metallicity 0.4810592E+01 Ellipticity 0.2785765E-01 Gb(Abramov) 0.2376049E+00 Vb(Abramov) -0.3134013E+00 Hb(Abramov) -0.7579634E-01 Ex_ueg -0.6199681E-01 Ec_ueg -0.8825546E-02 Delta_ex -0.6995835E-01 Delta_ec 0.1587340E-01 Delta_et -0.2114745E+00 Pxc 0.7024699E+01 Qxc -0.4407269E+01 3,-1 178 3 -1 -1.821921 2.686703 -0.548872 Rho 0.1230350E+00 |GRAD(Rho)| 0.1841833E-12 GRAD(Rho)x -0.1383865E-12 GRAD(Rho)y -0.2217933E-13 GRAD(Rho)z 0.1195021E-12 Laplacian 0.5191507E+00 (-1/4)Del**2(Rho)) -0.1297877E+00 Diamond 0.8337946E+00 Metallicity 0.4039871E+01 Ellipticity 0.1158128E-01 Gb(Abramov) 0.1739127E+00 Vb(Abramov) -0.2180377E+00 Hb(Abramov) -0.4412502E-01 Ex_ueg -0.4519496E-01 Ec_ueg -0.6740437E-02 Delta_ex -0.5319564E-01 Delta_ec 0.1392560E-01 Delta_et -0.1799440E+00 Pxc 0.6705048E+01 Qxc -0.3819990E+01 3,-1 179 3 -1 -0.896896 -3.435556 -1.253643 Rho 0.3253433E+00 |GRAD(Rho)| 0.4514489E-15 GRAD(Rho)x -0.9507860E-16 GRAD(Rho)y 0.3522462E-15 GRAD(Rho)z 0.2658736E-15 Laplacian -0.1692568E+01 (-1/4)Del**2(Rho)) 0.4231421E+00 Diamond 0.5913844E+01 Metallicity -0.6265707E+01 Ellipticity 0.5143321E-02 Gb(Abramov) 0.1597860E+00 Vb(Abramov) -0.7427140E+00 Hb(Abramov) -0.5829281E+00 Ex_ueg -0.1652625E+00 Ec_ueg -0.2053874E-01 Delta_ex 0.1700761E+00 Delta_ec 0.5829130E-01 Delta_et -0.1395953E+01 Pxc 0.8046380E+01 Qxc 0.2917693E+01 3,-1 180 3 -1 -0.506325 0.429796 0.443787 Rho 0.1791272E+00 |GRAD(Rho)| 0.2937989E-15 GRAD(Rho)x 0.1422473E-15 GRAD(Rho)y -0.1353084E-15 GRAD(Rho)z -0.2185752E-15 Laplacian 0.4773411E+00 (-1/4)Del**2(Rho)) -0.1193353E+00 Diamond 0.1219185E+01 Metallicity 0.8217129E+01 Ellipticity 0.4426086E-02 Gb(Abramov) 0.2429891E+00 Vb(Abramov) -0.3666429E+00 Hb(Abramov) -0.1236538E+00 Ex_ueg -0.7457622E-01 Ec_ueg -0.1033347E-01 Delta_ex -0.5374840E-01 Delta_ec 0.1188451E-01 Delta_et -0.1626170E+00 Pxc 0.7216956E+01 Qxc -0.4522561E+01 3,-1 181 3 -1 -0.549644 2.709213 -1.791934 Rho 0.1541188E+00 |GRAD(Rho)| 0.2948434E-15 GRAD(Rho)x 0.2901054E-15 GRAD(Rho)y 0.4702727E-16 GRAD(Rho)z -0.2366271E-16 Laplacian 0.6522687E+00 (-1/4)Del**2(Rho)) -0.1630672E+00 Diamond 0.1356586E+01 Metallicity 0.4680363E+01 Ellipticity 0.1599529E-01 Gb(Abramov) 0.2359137E+00 Vb(Abramov) -0.3087602E+00 Hb(Abramov) -0.7284653E-01 Ex_ueg -0.6102756E-01 Ec_ueg -0.8707698E-02 Delta_ex -0.7043036E-01 Delta_ec 0.1628461E-01 Delta_et -0.2172167E+00 Pxc 0.7008461E+01 Qxc -0.4324964E+01 3,-1 182 3 -1 1.206552 -1.770278 -2.590103 Rho 0.3119882E+00 |GRAD(Rho)| 0.1060015E-14 GRAD(Rho)x 0.2813854E-16 GRAD(Rho)y 0.6603799E-15 GRAD(Rho)z 0.8286972E-15 Laplacian -0.1573250E+01 (-1/4)Del**2(Rho)) 0.3933125E+00 Diamond 0.5391772E+01 Metallicity -0.6286067E+01 Ellipticity 0.3573734E-02 Gb(Abramov) 0.1498565E+00 Vb(Abramov) -0.6930254E+00 Hb(Abramov) -0.5431690E+00 Ex_ueg -0.1562797E+00 Ec_ueg -0.1955762E-01 Delta_ex 0.1548961E+00 Delta_ec 0.5528281E-01 Delta_et -0.1297277E+01 Pxc 0.7990732E+01 Qxc 0.2801886E+01 3,-1 183 3 -1 1.947014 -0.879404 3.026366 Rho 0.1628898E+00 |GRAD(Rho)| 0.1668219E-15 GRAD(Rho)x -0.7733072E-16 GRAD(Rho)y 0.6036296E-16 GRAD(Rho)z -0.1349290E-15 Laplacian 0.6353012E+00 (-1/4)Del**2(Rho)) -0.1588253E+00 Diamond 0.1426604E+01 Metallicity 0.5269748E+01 Ellipticity 0.5213488E-01 Gb(Abramov) 0.2453784E+00 Vb(Abramov) -0.3319315E+00 Hb(Abramov) -0.8655312E-01 Ex_ueg -0.6570173E-01 Ec_ueg -0.9273687E-02 Delta_ex -0.6967590E-01 Delta_ec 0.1587073E-01 Delta_et -0.2137938E+00 Pxc 0.7084747E+01 Qxc -0.4390212E+01 3,-1 184 3 -1 1.966815 -0.594732 -2.819373 Rho 0.1544935E+00 |GRAD(Rho)| 0.3652778E-15 GRAD(Rho)x 0.1513004E-15 GRAD(Rho)y 0.3011372E-15 GRAD(Rho)z 0.1408988E-15 Laplacian 0.5925778E+00 (-1/4)Del**2(Rho)) -0.1481444E+00 Diamond 0.1268240E+01 Metallicity 0.5172708E+01 Ellipticity 0.1137952E+00 Gb(Abramov) 0.2264810E+00 Vb(Abramov) -0.3048175E+00 Hb(Abramov) -0.7833652E-01 Ex_ueg -0.6122543E-01 Ec_ueg -0.8731778E-02 Delta_ex -0.6433187E-01 Delta_ec 0.1533592E-01 Delta_et -0.2059656E+00 Pxc 0.7011794E+01 Qxc -0.4194850E+01 3,-1 185 3 -1 -0.586585 -2.795877 1.784756 Rho 0.1614596E+00 |GRAD(Rho)| 0.2082583E-15 GRAD(Rho)x -0.1141394E-15 GRAD(Rho)y 0.1696776E-15 GRAD(Rho)z -0.3941075E-16 Laplacian 0.6694292E+00 (-1/4)Del**2(Rho)) -0.1673573E+00 Diamond 0.1447284E+01 Metallicity 0.4928125E+01 Ellipticity 0.3527068E-01 Gb(Abramov) 0.2490312E+00 Vb(Abramov) -0.3307050E+00 Hb(Abramov) -0.8167385E-01 Ex_ueg -0.6493372E-01 Ec_ueg -0.9181085E-02 Delta_ex -0.7289610E-01 Delta_ec 0.1611394E-01 Delta_et -0.2151778E+00 Pxc 0.7072554E+01 Qxc -0.4523792E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 133 121 185 132 102 131 140 113 128 180 134 118 181 142 146 125 119 137 139 120 109 127 152 169 149 168 151 164 154 166 155 167 156 170 93 83 178 94 58 173 64 75 116 73 91 172 89 67 177 60 85 62 175 174 90 69 92 63 159 160 148 161 183 163 136 162 184 165 157 171 122 103 61 97 182 129 126 115 143 176 95 179 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 17 21 21 22 25 28 28 36 37 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 19 36 54 24 27 53 54 52 52 53 2.397052 2.038655 1.859762 2.026304 1.897003 1.723923 1.709583 1.682539 1.715503 1.714713 2.340610 2.021000 1.900828 1.969695 1.893501 1.732146 2.415009 1.886657 1.933149 1.968949 1.993328 1.722763 2.420437 1.946246 1.784804 2.123799 2.023346 1.730371 2.485041 1.884047 1.936911 1.935215 2.020064 1.720514 2.351677 1.946320 1.989850 1.899903 1.921962 1.733917 2.390890 1.911229 2.082166 1.851917 1.988544 1.724836 2.367651 1.933761 1.872656 2.109573 1.931155 1.723291 2.419969 1.962070 1.868077 2.022522 1.936908 1.723248 2.421369 2.005432 2.012207 1.852255 1.891551 1.733957 2.420489 1.939397 1.916775 1.961412 1.936559 1.732468 3.232574 3.110414 3.247197 3.369525 1.001751 3.270835 3.246849 1.959808 1.717399 0.998587 1.886930 0.991895 2.398786 2.039141 1.860390 2.027124 1.897696 1.723942 1.709597 1.682584 1.715519 1.714717 2.342233 2.021310 1.901249 1.970369 1.894021 1.732156 2.416655 1.887152 1.933689 1.969709 1.994268 1.722776 2.421946 1.946699 1.784997 2.124666 2.024058 1.730401 2.486537 1.884536 1.937481 1.936008 2.020879 1.720525 2.353336 1.946806 1.990185 1.900448 1.922541 1.733923 2.393204 1.911958 2.082699 1.852522 1.990140 1.724859 2.369642 1.934298 1.873137 2.110334 1.932811 1.723306 2.421441 1.962663 1.868729 2.023331 1.937659 1.723263 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Nodes: 1 Procs: 1 Jun12-2024 02:34:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 02:34:22 Nodes: 1 Procs: 1 Jun12-2024 02:34:24 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 02:34:29 Nodes: 1 Procs: 5 *** (NO TITLE) *** -4 -15.72565533 -16.11908046 -15.78414503 -16.08542174 -16.22407546 -16.25135315 -16.26984486 -16.27135293 -16.27231077 -16.27323746 -16.27472374 -16.27579321 -16.27912862 -16.28041610 -16.27968972 -16.28045526 -16.28155166 -16.28383624 -16.28467445 -16.28535667 -16.28571436 -16.28592128 -16.28643509 -16.28663145 -16.28686623 -16.28698920 -16.28710652 -16.28716390 -16.28722428 -16.28724734 -16.28726587 -16.28727418 -16.28728453 -16.28729507 -16.28730582 GEOMETRY CONVERGED