ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar25-2024 11:56:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 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 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar25-2024 11:56:11 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.61 0.01 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 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 0 Mar25-2024 11:56:11 Nodes: 1 Procs: 1 Mar25-2024 11:56:11 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar25-2024 11:56:12 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.04 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 0 Mar25-2024 11:56:11 Nodes: 1 Procs: 1 Mar25-2024 11:56:11 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar25-2024 11:56:12 Nodes: 1 Procs: 1 Mar25-2024 11:56:12 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar25-2024 11:56:13 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.03 0.52 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 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 0 Mar25-2024 11:56:11 Nodes: 1 Procs: 1 Mar25-2024 11:56:11 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar25-2024 11:56:12 Nodes: 1 Procs: 1 Mar25-2024 11:56:12 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar25-2024 11:56:13 Nodes: 1 Procs: 1 Mar25-2024 11:56:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar25-2024 11:56:14 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) 1.32 0.04 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 0 Mar25-2024 11:56:11 Nodes: 1 Procs: 1 Mar25-2024 11:56:11 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar25-2024 11:56:12 Nodes: 1 Procs: 1 Mar25-2024 11:56:12 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar25-2024 11:56:13 Nodes: 1 Procs: 1 Mar25-2024 11:56:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar25-2024 11:56:14 Nodes: 1 Procs: 1 Mar25-2024 11:56:15 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar25-2024 11:56:17 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2789.129761000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Mar25-2024 11:56:15 1 1 Tungsten TZP 4d t21.Mo ADF 2019 Mar25-2024 11:56:12 1 1 Molybdenum TZP 3d t21.O ADF 2019 Mar25-2024 11:56:13 1 1 Oxygen TZP 1s t21.P ADF 2019 Mar25-2024 11:56:11 1 1 Phosphorus TZP 1s t21.H ADF 2019 Mar25-2024 11:56:10 1 1 Hydrogen TZP 1 1 -16.26280919 0.23711676 0.00100000 F 0.11128439 0.00066667 F 0.23711676 0.11128439 0.13863728 0.01000000 F 0.05291347 0.00666667 F Cartesian 2789.129761000006 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0.3187850E+03 3,-3 14 3 -3 -0.900216 -0.895725 -0.913047 Rho 0.3187790E+03 3,-3 15 3 -3 0.899874 0.898695 -0.915582 Rho 0.3187785E+03 3,-3 16 3 -3 -0.918280 0.927872 0.854564 Rho 0.3187790E+03 3,-3 17 3 -3 -3.026728 -1.172319 1.175654 Rho 0.3189531E+03 3,-3 18 3 -3 3.020830 -1.173801 -1.172927 Rho 0.3188744E+03 3,-3 19 3 -3 -2.991634 1.165907 -1.144779 Rho 0.3189325E+03 3,-3 20 3 -3 3.012231 1.176447 1.173799 Rho 0.3188753E+03 3,-3 21 3 -3 1.168514 -1.172080 -3.020587 Rho 0.3188764E+03 3,-3 22 3 -3 1.170317 1.181826 3.032856 Rho 0.3188782E+03 3,-3 23 3 -3 -1.169088 1.164981 -3.013275 Rho 0.3188738E+03 3,-3 24 3 -3 -1.183278 -1.186018 3.046558 Rho 0.3189585E+03 3,-3 25 3 -3 -1.167499 2.986931 -1.143445 Rho 0.3189230E+03 3,-3 26 3 -3 -1.177849 -3.007229 1.178123 Rho 0.3188802E+03 3,-3 27 3 -3 1.160343 3.017764 1.165926 Rho 0.3188770E+03 3,-3 28 3 -3 1.177284 -3.024281 -1.171168 Rho 0.3188748E+03 3,-3 29 3 -3 3.375499 -1.489719 1.494629 Rho 0.3189744E+03 3,-3 30 3 -3 -3.379573 -1.483639 -1.496146 Rho 0.3189793E+03 3,-3 31 3 -3 3.373973 1.494767 -1.499419 Rho 0.3189767E+03 3,-3 32 3 -3 -3.361673 1.502360 1.471053 Rho 0.3190702E+03 3,-3 33 3 -3 1.485198 -1.485550 3.376789 Rho 0.3189756E+03 3,-3 34 3 -3 1.497654 1.494455 -3.399731 Rho 0.3189809E+03 3,-3 35 3 -3 -1.497305 1.497568 3.369051 Rho 0.3190441E+03 3,-3 36 3 -3 -1.495679 -1.507632 -3.401203 Rho 0.3189817E+03 3,-3 37 3 -3 -1.493034 -3.374495 -1.495193 Rho 0.3189765E+03 3,-3 38 3 -3 -1.506820 3.358022 1.468941 Rho 0.3190136E+03 3,-3 39 3 -3 1.493548 -3.376603 1.491050 Rho 0.3189747E+03 3,-3 40 3 -3 1.486823 3.380656 -1.500367 Rho 0.3189799E+03 3,-3 41 3 -3 -0.178141 -3.760490 3.744596 Rho 0.3194342E+03 3,-3 42 3 -3 0.205644 -3.764599 -3.737932 Rho 0.3194342E+03 3,-3 43 3 -3 -0.203861 3.746055 -3.741128 Rho 0.3194401E+03 3,-3 44 3 -3 0.176192 3.758957 3.741185 Rho 0.3194411E+03 3,-3 45 3 -3 3.755775 -3.746353 -0.184052 Rho 0.3194356E+03 3,-3 46 3 -3 3.739319 3.752324 0.187112 Rho 0.3194319E+03 3,-3 47 3 -3 -3.797708 3.787721 -0.199926 Rho 0.3186912E+03 3,-3 48 3 -3 -3.752393 -3.742209 0.184753 Rho 0.3194321E+03 3,-3 49 3 -3 -3.741592 0.195448 -3.749010 Rho 0.3194417E+03 3,-3 50 3 -3 -3.761201 -0.192152 3.757146 Rho 0.3195915E+03 3,-3 51 3 -3 3.750307 0.191022 3.746068 Rho 0.3194338E+03 3,-3 52 3 -3 3.756006 -0.201161 -3.744915 Rho 0.3194333E+03 3,-3 53 3 -3 -0.006375 0.008858 -0.019353 Rho 0.2439501E+04 3,-3 54 3 -3 -4.141015 4.021900 -1.089826 Rho 0.4418136E+00 3,-3 55 3 -1 -1.690726 -1.684545 -0.497821 Rho 0.3913125E-01 |GRAD(Rho)| 0.1229948E-15 GRAD(Rho)x -0.4259432E-16 GRAD(Rho)y -0.9222537E-16 GRAD(Rho)z 0.6933928E-16 Laplacian 0.1556546E+00 (-1/4)Del**2(Rho)) -0.3891365E-01 Diamond 0.5560263E-01 Metallicity 0.1996751E+01 Ellipticity 0.1161168E-01 Gb(Abramov) 0.3889258E-01 Vb(Abramov) -0.3887151E-01 Hb(Abramov) 0.2106883E-04 Ex_ueg -0.9811829E-02 Ec_ueg -0.1823545E-02 Delta_ex -0.1199591E-01 Delta_ec 0.4545387E-02 Delta_et -0.4489623E-01 Pxc 0.5380636E+01 Qxc -0.2639140E+01 3,-1 56 3 +1 -1.698017 -0.528765 0.537117 Rho 0.8378397E-02 |GRAD(Rho)| 0.2283583E-16 GRAD(Rho)x -0.1517880E-16 GRAD(Rho)y -0.6449707E-17 GRAD(Rho)z 0.1579494E-16 Laplacian 0.3449797E-01 (-1/4)Del**2(Rho)) -0.8624493E-02 Diamond 0.9582485E-03 Metallicity 0.6903794E+00 Ellipticity -0.1455744E+01 Gb(Abramov) 0.6742024E-02 Vb(Abramov) -0.4859555E-02 Hb(Abramov) 0.1882469E-02 Ex_ueg -0.1256800E-02 Ec_ueg -0.2950759E-03 Delta_ex -0.1597032E-02 Delta_ec 0.5415026E-03 Delta_et -0.3630461E-02 Pxc 0.4259244E+01 Qxc -0.2949261E+01 3,+1 57 3 -1 -3.194590 3.176217 -0.094094 Rho 0.1783153E+00 |GRAD(Rho)| 0.1145533E-13 GRAD(Rho)x 0.1190752E-14 GRAD(Rho)y 0.8115118E-14 GRAD(Rho)z -0.7996967E-14 Laplacian 0.6894685E+00 (-1/4)Del**2(Rho)) -0.1723671E+00 Diamond 0.1748420E+01 Metallicity 0.5646071E+01 Ellipticity 0.1143553E+00 Gb(Abramov) 0.2771109E+00 Vb(Abramov) -0.3818548E+00 Hb(Abramov) -0.1047438E+00 Ex_ueg -0.7412588E-01 Ec_ueg -0.1028012E-01 Delta_ex -0.7752208E-01 Delta_ec 0.1714401E-01 Delta_et -0.2343407E+00 Pxc 0.7210605E+01 Qxc -0.4521816E+01 3,-1 58 3 -1 -1.678359 -0.501172 -1.707878 Rho 0.4111527E-01 |GRAD(Rho)| 0.5628267E-14 GRAD(Rho)x -0.3724247E-14 GRAD(Rho)y 0.1602159E-14 GRAD(Rho)z -0.3903903E-14 Laplacian 0.1645639E+00 (-1/4)Del**2(Rho)) -0.4114097E-01 Diamond 0.6315337E-01 Metallicity 0.2050929E+01 Ellipticity 0.1306484E-01 Gb(Abramov) 0.4149017E-01 Vb(Abramov) -0.4183938E-01 Hb(Abramov) -0.3492084E-03 Ex_ueg -0.1048067E-01 Ec_ueg -0.1929991E-02 Delta_ex -0.1285514E-01 Delta_ec 0.4831719E-02 Delta_et -0.4836516E-01 Pxc 0.5430427E+01 Qxc -0.2660573E+01 3,-1 59 3 +1 -1.677425 0.512069 -0.578836 Rho 0.9307141E-02 |GRAD(Rho)| 0.6686783E-17 GRAD(Rho)x -0.6588052E-17 GRAD(Rho)y 0.7625894E-18 GRAD(Rho)z 0.8538737E-18 Laplacian 0.3990824E-01 (-1/4)Del**2(Rho)) -0.9977059E-02 Diamond 0.1252286E-02 Metallicity 0.7110679E+00 Ellipticity -0.1429183E+01 Gb(Abramov) 0.7833767E-02 Vb(Abramov) -0.5690475E-02 Hb(Abramov) 0.2143292E-02 Ex_ueg -0.1445906E-02 Ec_ueg -0.3367295E-03 Delta_ex -0.1885593E-02 Delta_ec 0.6070280E-03 Delta_et -0.4197961E-02 Pxc 0.4293969E+01 Qxc -0.3106270E+01 3,+1 60 3 +1 -1.346182 1.030143 2.079550 Rho 0.2353208E-01 |GRAD(Rho)| 0.3176237E-16 GRAD(Rho)x -0.6652361E-17 GRAD(Rho)y -0.1757521E-16 GRAD(Rho)z 0.2560677E-16 Laplacian 0.9266811E-01 (-1/4)Del**2(Rho)) -0.2316703E-01 Diamond 0.1144507E-01 Metallicity 0.1436977E+01 Ellipticity -0.3688144E+01 Gb(Abramov) 0.2099310E-01 Vb(Abramov) -0.1881917E-01 Hb(Abramov) 0.2173927E-02 Ex_ueg -0.4980413E-02 Ec_ueg -0.1015094E-02 Delta_ex -0.5705799E-02 Delta_ec 0.1634217E-02 Delta_et -0.1419574E-01 Pxc 0.4906356E+01 Qxc -0.3491457E+01 3,+1 61 3 +3 -2.361637 -0.032338 -0.008222 Rho 0.4452665E-02 |GRAD(Rho)| 0.1509682E-14 GRAD(Rho)x 0.7637507E-15 GRAD(Rho)y -0.9291040E-15 GRAD(Rho)z -0.9124636E-15 Laplacian 0.1869697E-01 (-1/4)Del**2(Rho)) -0.4674243E-02 Diamond 0.1721893E-03 Metallicity 0.4441625E+00 Ellipticity -0.2907194E+00 Gb(Abramov) 0.3462183E-02 Vb(Abramov) -0.2250122E-02 Hb(Abramov) 0.1212060E-02 Ex_ueg -0.5410180E-03 Ec_ueg -0.1234353E-03 Delta_ex -0.6914531E-03 Delta_ec 0.1999619E-03 Delta_et -0.1207695E-02 Pxc 0.4383009E+01 Qxc -0.3457925E+01 3,+3 62 3 +1 0.538773 1.692848 0.517631 Rho 0.8735637E-02 |GRAD(Rho)| 0.1310427E-16 GRAD(Rho)x -0.1038378E-17 GRAD(Rho)y -0.5370742E-17 GRAD(Rho)z -0.1190792E-16 Laplacian 0.3625390E-01 (-1/4)Del**2(Rho)) -0.9063475E-02 Diamond 0.1048152E-02 Metallicity 0.7042866E+00 Ellipticity -0.1444973E+01 Gb(Abramov) 0.7106197E-02 Vb(Abramov) -0.5148920E-02 Hb(Abramov) 0.1957278E-02 Ex_ueg -0.1328754E-02 Ec_ueg -0.3110530E-03 Delta_ex -0.1687967E-02 Delta_ec 0.5550872E-03 Delta_et -0.3772956E-02 Pxc 0.4271792E+01 Qxc -0.3040903E+01 3,+1 63 3 +3 -1.114930 -1.078456 1.124151 Rho 0.4812715E-02 |GRAD(Rho)| 0.3630248E-17 GRAD(Rho)x -0.1114324E-17 GRAD(Rho)y 0.1522046E-17 GRAD(Rho)z 0.3101671E-17 Laplacian 0.1955278E-01 (-1/4)Del**2(Rho)) -0.4888194E-02 Diamond 0.1397587E-03 Metallicity 0.4834908E+00 Ellipticity -0.8897236E-01 Gb(Abramov) 0.3652696E-02 Vb(Abramov) -0.2417197E-02 Hb(Abramov) 0.1235499E-02 Ex_ueg -0.6001206E-03 Ec_ueg -0.1388621E-03 Delta_ex -0.6783583E-03 Delta_ec 0.1038724E-03 Delta_et -0.7654477E-03 Pxc 0.4321703E+01 Qxc -0.6530688E+01 3,+3 64 3 -1 -1.823948 -0.596743 2.808044 Rho 0.1409021E+00 |GRAD(Rho)| 0.2168152E-12 GRAD(Rho)x -0.1576885E-12 GRAD(Rho)y 0.1430674E-12 GRAD(Rho)z -0.4092509E-13 Laplacian 0.5943570E+00 (-1/4)Del**2(Rho)) -0.1485892E+00 Diamond 0.1103627E+01 Metallicity 0.4423457E+01 Ellipticity 0.1605931E-01 Gb(Abramov) 0.2086059E+00 Vb(Abramov) -0.2686225E+00 Hb(Abramov) -0.6001661E-01 Ex_ueg -0.5415126E-01 Ec_ueg -0.7863688E-02 Delta_ex -0.6271055E-01 Delta_ec 0.1505076E-01 Delta_et -0.1979987E+00 Pxc 0.6886241E+01 Qxc -0.4166604E+01 3,-1 65 3 -1 -1.800147 0.561326 -2.792439 Rho 0.1449281E+00 |GRAD(Rho)| 0.1769452E-15 GRAD(Rho)x -0.6853513E-16 GRAD(Rho)y -0.1537263E-15 GRAD(Rho)z -0.5459636E-16 Laplacian 0.6136768E+00 (-1/4)Del**2(Rho)) -0.1534192E+00 Diamond 0.1195763E+01 Metallicity 0.4490154E+01 Ellipticity 0.9887277E-02 Gb(Abramov) 0.2170921E+00 Vb(Abramov) -0.2807650E+00 Hb(Abramov) -0.6367289E-01 Ex_ueg -0.5622402E-01 Ec_ueg -0.8119635E-02 Delta_ex -0.6537534E-01 Delta_ec 0.1574953E-01 Delta_et -0.2087367E+00 Pxc 0.6924452E+01 Qxc -0.4150940E+01 3,-1 66 3 -1 -1.704758 0.492579 1.686784 Rho 0.3279604E-01 |GRAD(Rho)| 0.6289042E-16 GRAD(Rho)x -0.4084869E-16 GRAD(Rho)y -0.2794531E-16 GRAD(Rho)z 0.3880269E-16 Laplacian 0.1353509E+00 (-1/4)Del**2(Rho)) -0.3383771E-01 Diamond 0.3942307E-01 Metallicity 0.1710755E+01 Ellipticity 0.1528930E-01 Gb(Abramov) 0.3220648E-01 Vb(Abramov) -0.3057525E-01 Hb(Abramov) 0.1631231E-02 Ex_ueg -0.7753187E-02 Ec_ueg -0.1488712E-02 Delta_ex -0.1009206E-01 Delta_ec 0.4145456E-02 Delta_et -0.3902566E-01 Pxc 0.5207985E+01 Qxc -0.2434488E+01 3,-1 67 3 +1 -0.593334 -0.506968 1.690702 Rho 0.7938357E-02 |GRAD(Rho)| 0.1087652E-16 GRAD(Rho)x 0.5980135E-17 GRAD(Rho)y -0.1365830E-17 GRAD(Rho)z -0.8981711E-17 Laplacian 0.3244637E-01 (-1/4)Del**2(Rho)) -0.8111592E-02 Diamond 0.8371613E-03 Metallicity 0.6709108E+00 Ellipticity -0.1441134E+01 Gb(Abramov) 0.6314754E-02 Vb(Abramov) -0.4517916E-02 Hb(Abramov) 0.1796838E-02 Ex_ueg -0.1169569E-02 Ec_ueg -0.2754743E-03 Delta_ex -0.1482005E-02 Delta_ec 0.5089888E-03 Delta_et -0.3364274E-02 Pxc 0.4245656E+01 Qxc -0.2911665E+01 3,+1 68 3 -1 -2.757652 0.557785 -1.814591 Rho 0.1250307E+00 |GRAD(Rho)| 0.2354160E-15 GRAD(Rho)x 0.8711903E-16 GRAD(Rho)y -0.1976772E-15 GRAD(Rho)z -0.9356665E-16 Laplacian 0.5224867E+00 (-1/4)Del**2(Rho)) -0.1306217E+00 Diamond 0.8617838E+00 Metallicity 0.4123179E+01 Ellipticity 0.1399971E-01 Gb(Abramov) 0.1768439E+00 Vb(Abramov) -0.2230661E+00 Hb(Abramov) -0.4622220E-01 Ex_ueg -0.4617502E-01 Ec_ueg -0.6864846E-02 Delta_ex -0.5382314E-01 Delta_ec 0.1410375E-01 Delta_et -0.1829945E+00 Pxc 0.6726302E+01 Qxc -0.3816229E+01 3,-1 69 3 +1 -0.044413 0.032990 2.921188 Rho 0.4688079E-02 |GRAD(Rho)| 0.8214830E-13 GRAD(Rho)x 0.9799230E-14 GRAD(Rho)y 0.8018830E-13 GRAD(Rho)z -0.1490488E-13 Laplacian 0.1917439E-01 (-1/4)Del**2(Rho)) -0.4793596E-02 Diamond 0.4524347E-03 Metallicity 0.4719361E+00 Ellipticity -0.6834605E+01 Gb(Abramov) 0.3572776E-02 Vb(Abramov) -0.2351956E-02 Hb(Abramov) 0.1220820E-02 Ex_ueg -0.5794886E-03 Ec_ueg -0.1335143E-03 Delta_ex -0.9844860E-03 Delta_ec 0.6803295E-03 Delta_et -0.3592777E-02 Pxc 0.4340272E+01 Qxc -0.1447072E+01 3,+1 70 3 -1 -1.982780 0.820902 2.974452 Rho 0.1327217E+00 |GRAD(Rho)| 0.2237981E-13 GRAD(Rho)x -0.1777846E-13 GRAD(Rho)y -0.1300097E-13 GRAD(Rho)z 0.3969528E-14 Laplacian 0.5277935E+00 (-1/4)Del**2(Rho)) -0.1319484E+00 Diamond 0.9154539E+00 Metallicity 0.4508710E+01 Ellipticity 0.3852123E-01 Gb(Abramov) 0.1871184E+00 Vb(Abramov) -0.2422884E+00 Hb(Abramov) -0.5517002E-01 Ex_ueg -0.5000048E-01 Ec_ueg -0.7346806E-02 Delta_ex -0.5492133E-01 Delta_ec 0.1363232E-01 Delta_et -0.1778699E+00 Pxc 0.6805745E+01 Qxc -0.4028757E+01 3,-1 71 3 +1 -1.742848 1.738245 -1.756177 Rho 0.1274792E-01 |GRAD(Rho)| 0.1044080E-13 GRAD(Rho)x 0.8863821E-14 GRAD(Rho)y 0.3811792E-14 GRAD(Rho)z -0.3989146E-14 Laplacian 0.6481327E-01 (-1/4)Del**2(Rho)) -0.1620332E-01 Diamond 0.2809891E-02 Metallicity 0.7396306E+00 Ellipticity -0.1256073E+01 Gb(Abramov) 0.1279962E-01 Vb(Abramov) -0.9395929E-02 Hb(Abramov) 0.3403694E-02 Ex_ueg -0.2199400E-02 Ec_ueg -0.4942048E-03 Delta_ex -0.3234045E-02 Delta_ec 0.8356503E-03 Delta_et -0.6363235E-02 Pxc 0.4450382E+01 Qxc -0.3870094E+01 3,+1 72 3 +3 -1.833031 1.811091 1.851585 Rho 0.1246023E-01 |GRAD(Rho)| 0.1617443E-14 GRAD(Rho)x 0.1393601E-14 GRAD(Rho)y 0.5830922E-15 GRAD(Rho)z 0.5779296E-15 Laplacian 0.5862281E-01 (-1/4)Del**2(Rho)) -0.1465570E-01 Diamond 0.1382437E-02 Metallicity 0.7872092E+00 Ellipticity -0.6666350E+00 Gb(Abramov) 0.1169332E-01 Vb(Abramov) -0.8730936E-02 Hb(Abramov) 0.2962384E-02 Ex_ueg -0.2133470E-02 Ec_ueg -0.4808565E-03 Delta_ex -0.2610504E-02 Delta_ec 0.2255544E-03 Delta_et -0.2109881E-02 Pxc 0.4436814E+01 Qxc -0.1157372E+02 3,+3 73 3 +1 -2.092855 0.937983 1.413747 Rho 0.2455438E-01 |GRAD(Rho)| 0.2891604E-16 GRAD(Rho)x 0.2170782E-16 GRAD(Rho)y -0.1089090E-16 GRAD(Rho)z 0.1569382E-16 Laplacian 0.9809727E-01 (-1/4)Del**2(Rho)) -0.2452432E-01 Diamond 0.1072530E-01 Metallicity 0.1457151E+01 Ellipticity -0.2110012E+01 Gb(Abramov) 0.2230548E-01 Vb(Abramov) -0.2008665E-01 Hb(Abramov) 0.2218834E-02 Ex_ueg -0.5270967E-02 Ec_ueg -0.1066304E-02 Delta_ex -0.5872664E-02 Delta_ec 0.1308924E-02 Delta_et -0.1159030E-01 Pxc 0.4943212E+01 Qxc -0.4486636E+01 3,+1 74 3 +3 0.040349 2.354602 -0.030291 Rho 0.4602918E-02 |GRAD(Rho)| 0.2640278E-16 GRAD(Rho)x -0.8701900E-17 GRAD(Rho)y -0.2097616E-16 GRAD(Rho)z 0.1346791E-16 Laplacian 0.1935169E-01 (-1/4)Del**2(Rho)) -0.4837922E-02 Diamond 0.1833230E-03 Metallicity 0.4535408E+00 Ellipticity -0.3150401E+00 Gb(Abramov) 0.3590981E-02 Vb(Abramov) -0.2344039E-02 Hb(Abramov) 0.1246941E-02 Ex_ueg -0.5654958E-03 Ec_ueg -0.1298650E-03 Delta_ex -0.7184100E-03 Delta_ec 0.2012351E-03 Delta_et -0.1232404E-02 Pxc 0.4354491E+01 Qxc -0.3570003E+01 3,+3 75 3 +1 -0.999731 2.105392 1.348006 Rho 0.2671664E-01 |GRAD(Rho)| 0.1657178E-16 GRAD(Rho)x -0.1439303E-16 GRAD(Rho)y 0.5171551E-17 GRAD(Rho)z -0.6381199E-17 Laplacian 0.1054501E+00 (-1/4)Del**2(Rho)) -0.2636253E-01 Diamond 0.1381706E-01 Metallicity 0.1560279E+01 Ellipticity -0.2688531E+01 Gb(Abramov) 0.2443051E-01 Vb(Abramov) -0.2249848E-01 Hb(Abramov) 0.1932025E-02 Ex_ueg -0.5898760E-02 Ec_ueg -0.1175527E-02 Delta_ex -0.6547292E-02 Delta_ec 0.1559521E-02 Delta_et -0.1403253E-01 Pxc 0.5017973E+01 Qxc -0.4198272E+01 3,+1 76 3 +1 -1.992293 1.976641 2.001052 Rho 0.1273813E-01 |GRAD(Rho)| 0.7523459E-17 GRAD(Rho)x -0.6708911E-17 GRAD(Rho)y -0.3112078E-17 GRAD(Rho)z -0.1381273E-17 Laplacian 0.6173737E-01 (-1/4)Del**2(Rho)) -0.1543434E-01 Diamond 0.2275412E-02 Metallicity 0.7754865E+00 Ellipticity -0.1166742E+01 Gb(Abramov) 0.1228442E-01 Vb(Abramov) -0.9134489E-02 Hb(Abramov) 0.3149927E-02 Ex_ueg -0.2197147E-02 Ec_ueg -0.4937498E-03 Delta_ex -0.2973642E-02 Delta_ec 0.6062118E-03 Delta_et -0.4757257E-02 Pxc 0.4449920E+01 Qxc -0.4905284E+01 3,+1 77 3 +3 -1.095756 1.090190 -1.142668 Rho 0.5241572E-02 |GRAD(Rho)| 0.2582240E-15 GRAD(Rho)x -0.1432236E-15 GRAD(Rho)y 0.1315761E-15 GRAD(Rho)z -0.1698658E-15 Laplacian 0.2212682E-01 (-1/4)Del**2(Rho)) -0.5531704E-02 Diamond 0.1758928E-03 Metallicity 0.4925649E+00 Ellipticity -0.1626703E+00 Gb(Abramov) 0.4141923E-02 Vb(Abramov) -0.2752143E-02 Hb(Abramov) 0.1389781E-02 Ex_ueg -0.6724611E-03 Ec_ueg -0.1573234E-03 Delta_ex -0.7841985E-03 Delta_ec 0.1146753E-03 Delta_et -0.8657113E-03 Pxc 0.4274387E+01 Qxc -0.6838426E+01 3,+3 78 3 -1 0.577415 2.779152 1.811800 Rho 0.1441016E+00 |GRAD(Rho)| 0.9778197E-16 GRAD(Rho)x -0.9192679E-16 GRAD(Rho)y 0.1792999E-16 GRAD(Rho)z 0.2809439E-16 Laplacian 0.6089452E+00 (-1/4)Del**2(Rho)) -0.1522363E+00 Diamond 0.1176960E+01 Metallicity 0.4482116E+01 Ellipticity 0.8265398E-02 Gb(Abramov) 0.2152143E+00 Vb(Abramov) -0.2781924E+00 Hb(Abramov) -0.6297803E-01 Ex_ueg -0.5579692E-01 Ec_ueg -0.8067009E-02 Delta_ex -0.6476532E-01 Delta_ec 0.1562266E-01 Delta_et -0.2068230E+00 Pxc 0.6916680E+01 Qxc -0.4145600E+01 3,-1 79 3 -1 -1.786234 2.737237 -0.564773 Rho 0.1574826E+00 |GRAD(Rho)| 0.3222073E-15 GRAD(Rho)x 0.1352813E-15 GRAD(Rho)y 0.9297711E-16 GRAD(Rho)z 0.2772576E-15 Laplacian 0.6653263E+00 (-1/4)Del**2(Rho)) -0.1663316E+00 Diamond 0.1419320E+01 Metallicity 0.4756630E+01 Ellipticity 0.1635273E-01 Gb(Abramov) 0.2427507E+00 Vb(Abramov) -0.3191698E+00 Hb(Abramov) -0.7641911E-01 Ex_ueg -0.6280995E-01 Ec_ueg -0.8924216E-02 Delta_ex -0.7221800E-01 Delta_ec 0.1650745E-01 Delta_et -0.2207759E+00 Pxc 0.7038148E+01 Qxc -0.4374872E+01 3,-1 80 3 +1 0.128309 2.897963 -0.125438 Rho 0.5166413E-02 |GRAD(Rho)| 0.1877186E-14 GRAD(Rho)x 0.1335196E-14 GRAD(Rho)y 0.7599510E-16 GRAD(Rho)z -0.1317309E-14 Laplacian 0.2157042E-01 (-1/4)Del**2(Rho)) -0.5392605E-02 Diamond 0.5293371E-03 Metallicity 0.4932531E+00 Ellipticity -0.3010026E+01 Gb(Abramov) 0.4038390E-02 Vb(Abramov) -0.2684175E-02 Hb(Abramov) 0.1354215E-02 Ex_ueg -0.6596354E-03 Ec_ueg -0.1540813E-03 Delta_ex -0.1082541E-02 Delta_ec 0.6850716E-03 Delta_et -0.3754913E-02 Pxc 0.4281087E+01 Qxc -0.1580186E+01 3,+1 81 3 +1 -0.538464 0.540878 -1.691428 Rho 0.8976027E-02 |GRAD(Rho)| 0.9139443E-15 GRAD(Rho)x -0.4028480E-15 GRAD(Rho)y -0.7670284E-15 GRAD(Rho)z 0.2909899E-15 Laplacian 0.3752756E-01 (-1/4)Del**2(Rho)) -0.9381890E-02 Diamond 0.1125084E-02 Metallicity 0.7118740E+00 Ellipticity -0.1447066E+01 Gb(Abramov) 0.7367714E-02 Vb(Abramov) -0.5353538E-02 Hb(Abramov) 0.2014176E-02 Ex_ueg -0.1377729E-02 Ec_ueg -0.3218358E-03 Delta_ex -0.1758848E-02 Delta_ec 0.5740169E-03 Delta_et -0.3929909E-02 Pxc 0.4280845E+01 Qxc -0.3064105E+01 3,+1 82 3 +1 0.513440 0.580793 1.679526 Rho 0.8301468E-02 |GRAD(Rho)| 0.5023048E-15 GRAD(Rho)x -0.4408415E-15 GRAD(Rho)y 0.1218876E-15 GRAD(Rho)z -0.2076352E-15 Laplacian 0.3411757E-01 (-1/4)Del**2(Rho)) -0.8529392E-02 Diamond 0.9172374E-03 Metallicity 0.6874270E+00 Ellipticity -0.1431563E+01 Gb(Abramov) 0.6663484E-02 Vb(Abramov) -0.4797576E-02 Hb(Abramov) 0.1865908E-02 Ex_ueg -0.1241438E-02 Ec_ueg -0.2916428E-03 Delta_ex -0.1567023E-02 Delta_ec 0.5198229E-03 Delta_et -0.3488177E-02 Pxc 0.4256706E+01 Qxc -0.3014531E+01 3,+1 83 3 -1 -0.376167 0.382451 0.331168 Rho 0.2003314E+00 |GRAD(Rho)| 0.2436823E-13 GRAD(Rho)x 0.1318933E-13 GRAD(Rho)y -0.1533013E-13 GRAD(Rho)z -0.1359556E-13 Laplacian 0.7015353E+00 (-1/4)Del**2(Rho)) -0.1753838E+00 Diamond 0.2247165E+01 Metallicity 0.6737190E+01 Ellipticity 0.1345720E-01 Gb(Abramov) 0.3138549E+00 Vb(Abramov) -0.4523260E+00 Hb(Abramov) -0.1384711E+00 Ex_ueg -0.8657328E-01 Ec_ueg -0.1174020E-01 Delta_ex -0.8259056E-01 Delta_ec 0.1934686E-01 Delta_et -0.2758202E+00 Pxc 0.7374090E+01 Qxc -0.4268939E+01 3,-1 84 3 +3 -0.053007 0.036244 2.357024 Rho 0.4122874E-02 |GRAD(Rho)| 0.1878897E-15 GRAD(Rho)x 0.1242962E-15 GRAD(Rho)y -0.1168989E-15 GRAD(Rho)z 0.7866147E-16 Laplacian 0.1690805E-01 (-1/4)Del**2(Rho)) -0.4227012E-02 Diamond 0.1356686E-03 Metallicity 0.4320359E+00 Ellipticity -0.2427473E+00 Gb(Abramov) 0.3122378E-02 Vb(Abramov) -0.2017744E-02 Hb(Abramov) 0.1104634E-02 Ex_ueg -0.4882608E-03 Ec_ueg -0.1093640E-03 Delta_ex -0.6078957E-03 Delta_ec 0.1708918E-03 Delta_et -0.1024366E-02 Pxc 0.4464547E+01 Qxc -0.3557198E+01 3,+3 85 3 +1 0.060461 0.055453 -2.898360 Rho 0.5037637E-02 |GRAD(Rho)| 0.6746713E-17 GRAD(Rho)x 0.5915396E-17 GRAD(Rho)y -0.3033087E-17 GRAD(Rho)z 0.1151787E-17 Laplacian 0.2054370E-01 (-1/4)Del**2(Rho)) -0.5135925E-02 Diamond 0.5254517E-03 Metallicity 0.4965687E+00 Ellipticity -0.1104445E+02 Gb(Abramov) 0.3849006E-02 Vb(Abramov) -0.2562088E-02 Hb(Abramov) 0.1286918E-02 Ex_ueg -0.6378045E-03 Ec_ueg -0.1485328E-03 Delta_ex -0.1061059E-02 Delta_ec 0.7150502E-03 Delta_et -0.3864550E-02 Pxc 0.4294030E+01 Qxc -0.1483895E+01 3,+1 86 3 +3 0.004281 -0.003111 -2.366681 Rho 0.4504274E-02 |GRAD(Rho)| 0.2055527E-15 GRAD(Rho)x -0.1283003E-15 GRAD(Rho)y -0.1215945E-15 GRAD(Rho)z -0.1049083E-15 Laplacian 0.1863263E-01 (-1/4)Del**2(Rho)) -0.4658157E-02 Diamond 0.1715573E-03 Metallicity 0.4543393E+00 Ellipticity -0.2781220E+00 Gb(Abramov) 0.3458169E-02 Vb(Abramov) -0.2258180E-02 Hb(Abramov) 0.1199988E-02 Ex_ueg -0.5493950E-03 Ec_ueg -0.1256424E-03 Delta_ex -0.6881320E-03 Delta_ec 0.1940526E-03 Delta_et -0.1181674E-02 Pxc 0.4372687E+01 Qxc -0.3546110E+01 3,+3 87 3 +1 -0.506606 1.676861 -0.581467 Rho 0.9401750E-02 |GRAD(Rho)| 0.2696268E-16 GRAD(Rho)x -0.3086396E-17 GRAD(Rho)y -0.2677734E-16 GRAD(Rho)z -0.6588030E-18 Laplacian 0.4032635E-01 (-1/4)Del**2(Rho)) -0.1008159E-01 Diamond 0.1278731E-02 Metallicity 0.7156578E+00 Ellipticity -0.1429192E+01 Gb(Abramov) 0.7923554E-02 Vb(Abramov) -0.5765519E-02 Hb(Abramov) 0.2158035E-02 Ex_ueg -0.1465537E-02 Ec_ueg -0.3409939E-03 Delta_ex -0.1908507E-02 Delta_ec 0.6103594E-03 Delta_et -0.4234361E-02 Pxc 0.4297839E+01 Qxc -0.3126858E+01 3,+1 88 3 +3 1.109878 -1.112214 -1.103080 Rho 0.4970924E-02 |GRAD(Rho)| 0.1574732E-16 GRAD(Rho)x -0.1366660E-16 GRAD(Rho)y 0.7714362E-17 GRAD(Rho)z 0.1300287E-17 Laplacian 0.2035914E-01 (-1/4)Del**2(Rho)) -0.5089785E-02 Diamond 0.1502720E-03 Metallicity 0.4900596E+00 Ellipticity -0.8688465E-02 Gb(Abramov) 0.3808906E-02 Vb(Abramov) -0.2528028E-02 Hb(Abramov) 0.1280879E-02 Ex_ueg -0.6265675E-03 Ec_ueg -0.1456617E-03 Delta_ex -0.7108926E-03 Delta_ec 0.1051031E-03 Delta_et -0.7866394E-03 Pxc 0.4301524E+01 Qxc -0.6763763E+01 3,+3 89 3 +1 -0.005101 -2.896730 -0.002170 Rho 0.4823158E-02 |GRAD(Rho)| 0.5377222E-17 GRAD(Rho)x 0.3811440E-17 GRAD(Rho)y -0.2361738E-18 GRAD(Rho)z -0.3785719E-17 Laplacian 0.1969482E-01 (-1/4)Del**2(Rho)) -0.4923705E-02 Diamond 0.4853585E-03 Metallicity 0.4817410E+00 Ellipticity -0.1287703E+02 Gb(Abramov) 0.3677795E-02 Vb(Abramov) -0.2431885E-02 Hb(Abramov) 0.1245910E-02 Ex_ueg -0.6018575E-03 Ec_ueg -0.1393105E-03 Delta_ex -0.1018989E-02 Delta_ec 0.7032735E-03 Delta_et -0.3744546E-02 Pxc 0.4320259E+01 Qxc -0.1448923E+01 3,+1 90 3 -1 -0.494853 1.700246 1.670843 Rho 0.3781591E-01 |GRAD(Rho)| 0.8799210E-13 GRAD(Rho)x 0.3742333E-13 GRAD(Rho)y -0.7952726E-13 GRAD(Rho)z -0.4185507E-14 Laplacian 0.1487028E+00 (-1/4)Del**2(Rho)) -0.3717570E-01 Diamond 0.5062741E-01 Metallicity 0.1974323E+01 Ellipticity 0.1272536E-01 Gb(Abramov) 0.3701661E-01 Vb(Abramov) -0.3685752E-01 Hb(Abramov) 0.1590918E-03 Ex_ueg -0.9374565E-02 Ec_ueg -0.1753375E-02 Delta_ex -0.1135846E-01 Delta_ec 0.4334606E-02 Delta_et -0.4242085E-01 Pxc 0.5346582E+01 Qxc -0.2620413E+01 3,-1 91 3 -1 0.499332 1.680753 -1.704263 Rho 0.4106642E-01 |GRAD(Rho)| 0.2297584E-15 GRAD(Rho)x 0.2280001E-17 GRAD(Rho)y 0.9016327E-16 GRAD(Rho)z -0.2113157E-15 Laplacian 0.1643278E+00 (-1/4)Del**2(Rho)) -0.4108196E-01 Diamond 0.6291517E-01 Metallicity 0.2049809E+01 Ellipticity 0.1150469E-01 Gb(Abramov) 0.4142301E-01 Vb(Abramov) -0.4176405E-01 Hb(Abramov) -0.3410435E-03 Ex_ueg -0.1046408E-01 Ec_ueg -0.1927362E-02 Delta_ex -0.1283034E-01 Delta_ec 0.4820249E-02 Delta_et -0.4823438E-01 Pxc 0.5429223E+01 Qxc -0.2661759E+01 3,-1 92 3 +3 1.094756 1.107415 1.110268 Rho 0.4945108E-02 |GRAD(Rho)| 0.6137710E-17 GRAD(Rho)x 0.3240436E-17 GRAD(Rho)y 0.3612992E-17 GRAD(Rho)z -0.3757307E-17 Laplacian 0.2019043E-01 (-1/4)Del**2(Rho)) -0.5047609E-02 Diamond 0.1479683E-03 Metallicity 0.4898847E+00 Ellipticity -0.8302138E-01 Gb(Abramov) 0.3777197E-02 Vb(Abramov) -0.2506785E-02 Hb(Abramov) 0.1270412E-02 Ex_ueg -0.6222326E-03 Ec_ueg -0.1445513E-03 Delta_ex -0.7039953E-03 Delta_ec 0.1042303E-03 Delta_et -0.7793493E-03 Pxc 0.4304579E+01 Qxc -0.6754230E+01 3,+3 93 3 -1 0.584140 1.812556 2.794376 Rho 0.1500258E+00 |GRAD(Rho)| 0.1704121E-15 GRAD(Rho)x 0.7949912E-16 GRAD(Rho)y -0.1030263E-15 GRAD(Rho)z 0.1100262E-15 Laplacian 0.6332876E+00 (-1/4)Del**2(Rho)) -0.1583219E+00 Diamond 0.1286002E+01 Metallicity 0.4609161E+01 Ellipticity 0.1010326E-01 Gb(Abramov) 0.2271698E+00 Vb(Abramov) -0.2960177E+00 Hb(Abramov) -0.6884789E-01 Ex_ueg -0.5887616E-01 Ec_ueg -0.8445163E-02 Delta_ex -0.6803569E-01 Delta_ec 0.1610960E-01 Delta_et -0.2145533E+00 Pxc 0.6971584E+01 Qxc -0.4223302E+01 3,-1 94 3 +1 1.750813 1.759122 1.761368 Rho 0.1244818E-01 |GRAD(Rho)| 0.1292139E-13 GRAD(Rho)x -0.4665503E-14 GRAD(Rho)y -0.4893388E-14 GRAD(Rho)z 0.1101136E-13 Laplacian 0.6302964E-01 (-1/4)Del**2(Rho)) -0.1575741E-01 Diamond 0.2643917E-02 Metallicity 0.7309899E+00 Ellipticity -0.1244496E+01 Gb(Abramov) 0.1242469E-01 Vb(Abramov) -0.9091973E-02 Hb(Abramov) 0.3332719E-02 Ex_ueg -0.2130719E-02 Ec_ueg -0.4802979E-03 Delta_ex -0.3125043E-02 Delta_ec 0.8122382E-03 Delta_et -0.6149635E-02 Pxc 0.4436245E+01 Qxc -0.3847446E+01 3,+1 95 3 +1 1.678037 0.554102 0.534276 Rho 0.8609347E-02 |GRAD(Rho)| 0.1498476E-16 GRAD(Rho)x 0.7855012E-17 GRAD(Rho)y 0.1215477E-16 GRAD(Rho)z 0.3886293E-17 Laplacian 0.3579939E-01 (-1/4)Del**2(Rho)) -0.8949848E-02 Diamond 0.1017350E-02 Metallicity 0.6961260E+00 Ellipticity -0.1439756E+01 Gb(Abramov) 0.7004935E-02 Vb(Abramov) -0.5060023E-02 Hb(Abramov) 0.1944912E-02 Ex_ueg -0.1303203E-02 Ec_ueg -0.3053983E-03 Delta_ex -0.1661953E-02 Delta_ec 0.5502619E-03 Delta_et -0.3724296E-02 Pxc 0.4267223E+01 Qxc -0.3020295E+01 3,+1 96 3 +1 1.758556 -1.759554 -1.758047 Rho 0.1244812E-01 |GRAD(Rho)| 0.8748104E-12 GRAD(Rho)x 0.6842254E-12 GRAD(Rho)y 0.5225093E-12 GRAD(Rho)z -0.1552831E-12 Laplacian 0.6309118E-01 (-1/4)Del**2(Rho)) -0.1577279E-01 Diamond 0.2648564E-02 Metallicity 0.7302716E+00 Ellipticity -0.1242891E+01 Gb(Abramov) 0.1243493E-01 Vb(Abramov) -0.9097073E-02 Hb(Abramov) 0.3337861E-02 Ex_ueg -0.2130707E-02 Ec_ueg -0.4802953E-03 Delta_ex -0.3128663E-02 Delta_ec 0.8140538E-03 Delta_et -0.6162599E-02 Pxc 0.4436242E+01 Qxc -0.3843312E+01 3,+1 97 3 -1 1.817739 -2.786178 -0.577270 Rho 0.1418462E+00 |GRAD(Rho)| 0.2913924E-15 GRAD(Rho)x -0.2158104E-15 GRAD(Rho)y -0.1059943E-15 GRAD(Rho)z -0.1646225E-15 Laplacian 0.6007267E+00 (-1/4)Del**2(Rho)) -0.1501817E+00 Diamond 0.1142547E+01 Metallicity 0.4425537E+01 Ellipticity 0.8988654E-02 Gb(Abramov) 0.2108935E+00 Vb(Abramov) -0.2716054E+00 Hb(Abramov) -0.6071187E-01 Ex_ueg -0.5463557E-01 Ec_ueg -0.7923617E-02 Delta_ex -0.6368064E-01 Delta_ec 0.1553405E-01 Delta_et -0.2053047E+00 Pxc 0.6895282E+01 Qxc -0.4099424E+01 3,-1 98 3 -1 1.978433 -2.970738 0.838392 Rho 0.1439193E+00 |GRAD(Rho)| 0.4293493E-15 GRAD(Rho)x 0.2559259E-15 GRAD(Rho)y 0.7935005E-16 GRAD(Rho)z 0.3354793E-15 Laplacian 0.5768050E+00 (-1/4)Del**2(Rho)) -0.1442013E+00 Diamond 0.1117289E+01 Metallicity 0.4721888E+01 Ellipticity 0.2627157E-01 Gb(Abramov) 0.2096179E+00 Vb(Abramov) -0.2750345E+00 Hb(Abramov) -0.6541662E-01 Ex_ueg -0.5570279E-01 Ec_ueg -0.8055403E-02 Delta_ex -0.6137164E-01 Delta_ec 0.1488057E-01 Delta_et -0.1971311E+00 Pxc 0.6914961E+01 Qxc -0.4124280E+01 3,-1 99 3 +1 1.989576 -1.989130 1.992406 Rho 0.1267030E-01 |GRAD(Rho)| 0.5321585E-16 GRAD(Rho)x -0.1810383E-16 GRAD(Rho)y 0.1498655E-16 GRAD(Rho)z -0.4774497E-16 Laplacian 0.6011142E-01 (-1/4)Del**2(Rho)) -0.1502785E-01 Diamond 0.2169272E-02 Metallicity 0.7894070E+00 Ellipticity -0.1163419E+01 Gb(Abramov) 0.1199575E-01 Vb(Abramov) -0.8963649E-02 Hb(Abramov) 0.3032103E-02 Ex_ueg -0.2181562E-02 Ec_ueg -0.4906001E-03 Delta_ex -0.2883032E-02 Delta_ec 0.5758719E-03 Delta_et -0.4528077E-02 Pxc 0.4446721E+01 Qxc -0.5006377E+01 3,+1 100 3 +3 1.816607 -1.816191 1.817676 Rho 0.1231382E-01 |GRAD(Rho)| 0.1794498E-16 GRAD(Rho)x -0.4204235E-17 GRAD(Rho)y 0.1694948E-16 GRAD(Rho)z -0.4130613E-17 Laplacian 0.5628281E-01 (-1/4)Del**2(Rho)) -0.1407070E-01 Diamond 0.1224884E-02 Metallicity 0.8039436E+00 Ellipticity -0.6596997E+00 Gb(Abramov) 0.1126581E-01 Vb(Abramov) -0.8460918E-02 Hb(Abramov) 0.2804893E-02 Ex_ueg -0.2100111E-02 Ec_ueg -0.4740755E-03 Delta_ex -0.2475094E-02 Delta_ec 0.1763990E-03 Delta_et -0.1750973E-02 Pxc 0.4429909E+01 Qxc -0.1403122E+02 3,+3 101 3 -1 0.588934 -2.792077 -1.808793 Rho 0.1467603E+00 |GRAD(Rho)| 0.1275299E-15 GRAD(Rho)x 0.7647691E-16 GRAD(Rho)y -0.5803870E-16 GRAD(Rho)z 0.8394435E-16 Laplacian 0.6204252E+00 (-1/4)Del**2(Rho)) -0.1551063E+00 Diamond 0.1228216E+01 Metallicity 0.4535287E+01 Ellipticity 0.8960918E-02 Gb(Abramov) 0.2206461E+00 Vb(Abramov) -0.2861860E+00 Hb(Abramov) -0.6553983E-01 Ex_ueg -0.5717373E-01 Ec_ueg -0.8236451E-02 Delta_ex -0.6630726E-01 Delta_ec 0.1589048E-01 Delta_et -0.2110254E+00 Pxc 0.6941550E+01 Qxc -0.4172766E+01 3,-1 102 3 -1 3.206483 -0.068634 -3.197466 Rho 0.2569472E+00 |GRAD(Rho)| 0.2781958E-14 GRAD(Rho)x 0.1879464E-14 GRAD(Rho)y -0.1929744E-14 GRAD(Rho)z 0.6949736E-15 Laplacian 0.9210998E+00 (-1/4)Del**2(Rho)) -0.2302750E+00 Diamond 0.3531377E+01 Metallicity 0.7769260E+01 Ellipticity 0.1238878E-02 Gb(Abramov) 0.4516943E+00 Vb(Abramov) -0.6731137E+00 Hb(Abramov) -0.2214194E+00 Ex_ueg -0.1206453E+00 Ec_ueg -0.1561849E-01 Delta_ex -0.1132711E+00 Delta_ec 0.1988827E-01 Delta_et -0.2757323E+00 Pxc 0.7724518E+01 Qxc -0.5695374E+01 3,-1 103 3 +3 2.354729 -0.000838 -0.000133 Rho 0.4330272E-02 |GRAD(Rho)| 0.4941008E-15 GRAD(Rho)x -0.3743059E-15 GRAD(Rho)y 0.2288017E-15 GRAD(Rho)z -0.2273332E-15 Laplacian 0.1788243E-01 (-1/4)Del**2(Rho)) -0.4470606E-02 Diamond 0.1559124E-03 Metallicity 0.4433147E+00 Ellipticity -0.2679475E+00 Gb(Abramov) 0.3310718E-02 Vb(Abramov) -0.2150831E-02 Hb(Abramov) 0.1159888E-02 Ex_ueg -0.5212811E-03 Ec_ueg -0.1182065E-03 Delta_ex -0.6537514E-03 Delta_ec 0.1858823E-03 Delta_et -0.1121308E-02 Pxc 0.4409919E+01 Qxc -0.3517017E+01 3,+3 104 3 -1 3.201450 0.060439 3.197722 Rho 0.2571019E+00 |GRAD(Rho)| 0.2986520E-14 GRAD(Rho)x 0.2044914E-14 GRAD(Rho)y 0.2125714E-14 GRAD(Rho)z -0.4679417E-15 Laplacian 0.9200589E+00 (-1/4)Del**2(Rho)) -0.2300147E+00 Diamond 0.3531615E+01 Metallicity 0.7785858E+01 Ellipticity 0.1225077E-02 Gb(Abramov) 0.4518201E+00 Vb(Abramov) -0.6736255E+00 Hb(Abramov) -0.2218054E+00 Ex_ueg -0.1207421E+00 Ec_ueg -0.1562933E-01 Delta_ex -0.1131691E+00 Delta_ec 0.1987660E-01 Delta_et -0.2756428E+00 Pxc 0.7725358E+01 Qxc -0.5693586E+01 3,-1 105 3 -1 2.787331 -0.584057 -1.812062 Rho 0.1452105E+00 |GRAD(Rho)| 0.3676857E-12 GRAD(Rho)x -0.5482486E-13 GRAD(Rho)y 0.2388210E-12 GRAD(Rho)z -0.2741379E-12 Laplacian 0.6137409E+00 (-1/4)Del**2(Rho)) -0.1534352E+00 Diamond 0.1200024E+01 Metallicity 0.4504272E+01 Ellipticity 0.8761638E-02 Gb(Abramov) 0.2174758E+00 Vb(Abramov) -0.2815164E+00 Hb(Abramov) -0.6404059E-01 Ex_ueg -0.5637012E-01 Ec_ueg -0.8137623E-02 Delta_ex -0.6542721E-01 Delta_ec 0.1576847E-01 Delta_et -0.2091015E+00 Pxc 0.6927099E+01 Qxc -0.4149242E+01 3,-1 106 3 -1 1.677950 -0.476044 1.688800 Rho 0.3869561E-01 |GRAD(Rho)| 0.2522034E-12 GRAD(Rho)x -0.1947708E-12 GRAD(Rho)y -0.1490428E-12 GRAD(Rho)z -0.5879722E-13 Laplacian 0.1537118E+00 (-1/4)Del**2(Rho)) -0.3842794E-01 Diamond 0.5420752E-01 Metallicity 0.1984612E+01 Ellipticity 0.1138241E-01 Gb(Abramov) 0.3832939E-01 Vb(Abramov) -0.3823083E-01 Hb(Abramov) 0.9855443E-04 Ex_ueg -0.9666458E-02 Ec_ueg -0.1800269E-02 Delta_ex -0.1182110E-01 Delta_ec 0.4502911E-02 Delta_et -0.4434421E-01 Pxc 0.5369453E+01 Qxc -0.2625212E+01 3,-1 107 3 -1 2.971947 0.835813 -1.978740 Rho 0.1443203E+00 |GRAD(Rho)| 0.4059123E-13 GRAD(Rho)x 0.2787126E-13 GRAD(Rho)y -0.7778974E-14 GRAD(Rho)z 0.2846627E-13 Laplacian 0.5754495E+00 (-1/4)Del**2(Rho)) -0.1438624E+00 Diamond 0.1117448E+01 Metallicity 0.4755015E+01 Ellipticity 0.2982256E-01 Gb(Abramov) 0.2099195E+00 Vb(Abramov) -0.2759767E+00 Hb(Abramov) -0.6605716E-01 Ex_ueg -0.5590987E-01 Ec_ueg -0.8080931E-02 Delta_ex -0.6125908E-01 Delta_ec 0.1481773E-01 Delta_et -0.1963407E+00 Pxc 0.6918741E+01 Qxc -0.4134174E+01 3,-1 108 3 -1 2.780338 0.582524 1.812155 Rho 0.1439972E+00 |GRAD(Rho)| 0.5118733E-15 GRAD(Rho)x 0.4189086E-16 GRAD(Rho)y 0.2647080E-15 GRAD(Rho)z -0.4361068E-15 Laplacian 0.6088257E+00 (-1/4)Del**2(Rho)) -0.1522064E+00 Diamond 0.1177273E+01 Metallicity 0.4477583E+01 Ellipticity 0.8256081E-02 Gb(Abramov) 0.2150571E+00 Vb(Abramov) -0.2779078E+00 Hb(Abramov) -0.6285068E-01 Ex_ueg -0.5574302E-01 Ec_ueg -0.8060363E-02 Delta_ex -0.6475763E-01 Delta_ec 0.1565181E-01 Delta_et -0.2072508E+00 Pxc 0.6915696E+01 Qxc -0.4137389E+01 3,-1 109 3 +1 0.539102 -0.540474 -1.694176 Rho 0.8799425E-02 |GRAD(Rho)| 0.5190869E-13 GRAD(Rho)x -0.3537879E-13 GRAD(Rho)y 0.3643325E-13 GRAD(Rho)z 0.1074577E-13 Laplacian 0.3670856E-01 (-1/4)Del**2(Rho)) -0.9177139E-02 Diamond 0.1071491E-02 Metallicity 0.7040492E+00 Ellipticity -0.1441629E+01 Gb(Abramov) 0.7194952E-02 Vb(Abramov) -0.5212765E-02 Hb(Abramov) 0.1982187E-02 Ex_ueg -0.1341706E-02 Ec_ueg -0.3139117E-03 Delta_ex -0.1712082E-02 Delta_ec 0.5617586E-03 Delta_et -0.3825811E-02 Pxc 0.4274151E+01 Qxc -0.3047718E+01 3,+1 110 3 -1 -2.962444 -0.847615 -1.988703 Rho 0.1459277E+00 |GRAD(Rho)| 0.4851256E-15 GRAD(Rho)x 0.2268015E-15 GRAD(Rho)y 0.4271214E-15 GRAD(Rho)z 0.3840786E-16 Laplacian 0.5827917E+00 (-1/4)Del**2(Rho)) -0.1456979E+00 Diamond 0.1146221E+01 Metallicity 0.4782586E+01 Ellipticity 0.3117613E-01 Gb(Abramov) 0.2132674E+00 Vb(Abramov) -0.2808369E+00 Hb(Abramov) -0.6756950E-01 Ex_ueg -0.5674167E-01 Ec_ueg -0.8183341E-02 Delta_ex -0.6220229E-01 Delta_ec 0.1495422E-01 Delta_et -0.1984437E+00 Pxc 0.6933803E+01 Qxc -0.4159514E+01 3,-1 111 3 +1 -2.903066 -0.096499 -0.082204 Rho 0.5000189E-02 |GRAD(Rho)| 0.6446456E-17 GRAD(Rho)x -0.2440024E-17 GRAD(Rho)y -0.5937668E-17 GRAD(Rho)z 0.5892165E-18 Laplacian 0.2076361E-01 (-1/4)Del**2(Rho)) -0.5190903E-02 Diamond 0.5144140E-03 Metallicity 0.4852374E+00 Ellipticity -0.4526419E+01 Gb(Abramov) 0.3880406E-02 Vb(Abramov) -0.2569908E-02 Hb(Abramov) 0.1310498E-02 Ex_ueg -0.6314907E-03 Ec_ueg -0.1469209E-03 Delta_ex -0.1060377E-02 Delta_ec 0.7038630E-03 Delta_et -0.3802382E-02 Pxc 0.4298167E+01 Qxc -0.1506510E+01 3,+1 112 3 -1 -2.784420 -0.587927 1.833446 Rho 0.1344886E+00 |GRAD(Rho)| 0.1596347E-15 GRAD(Rho)x -0.1002989E-15 GRAD(Rho)y 0.1201838E-15 GRAD(Rho)z 0.3129279E-16 Laplacian 0.5670849E+00 (-1/4)Del**2(Rho)) -0.1417712E+00 Diamond 0.9950851E+00 Metallicity 0.4289840E+01 Ellipticity 0.1138443E-01 Gb(Abramov) 0.1958768E+00 Vb(Abramov) -0.2499824E+00 Hb(Abramov) -0.5410557E-01 Ex_ueg -0.5089001E-01 Ec_ueg -0.7458085E-02 Delta_ex -0.5915035E-01 Delta_ec 0.1451248E-01 Delta_et -0.1895690E+00 Pxc 0.6823469E+01 Qxc -0.4075825E+01 3,-1 113 3 +1 -1.982933 -1.987512 -1.994617 Rho 0.1264335E-01 |GRAD(Rho)| 0.1492271E-16 GRAD(Rho)x 0.1100672E-16 GRAD(Rho)y 0.5645483E-17 GRAD(Rho)z -0.8346732E-17 Laplacian 0.5972833E-01 (-1/4)Del**2(Rho)) -0.1493208E-01 Diamond 0.2097559E-02 Metallicity 0.7916555E+00 Ellipticity -0.1150052E+01 Gb(Abramov) 0.1192490E-01 Vb(Abramov) -0.8917716E-02 Hb(Abramov) 0.3007183E-02 Ex_ueg -0.2175377E-02 Ec_ueg -0.4893490E-03 Delta_ex -0.2849081E-02 Delta_ec 0.5473881E-03 Delta_et -0.4327230E-02 Pxc 0.4445450E+01 Qxc -0.5204864E+01 3,+1 114 3 -1 -3.185545 0.047381 -3.212284 Rho 0.2571764E+00 |GRAD(Rho)| 0.4305982E-12 GRAD(Rho)x 0.3032795E-12 GRAD(Rho)y -0.8290230E-13 GRAD(Rho)z 0.2942168E-12 Laplacian 0.9253999E+00 (-1/4)Del**2(Rho)) -0.2313500E+00 Diamond 0.3549189E+01 Metallicity 0.7744660E+01 Ellipticity 0.2709628E-02 Gb(Abramov) 0.4528545E+00 Vb(Abramov) -0.6743589E+00 Hb(Abramov) -0.2215045E+00 Ex_ueg -0.1207888E+00 Ec_ueg -0.1563454E-01 Delta_ex -0.1138146E+00 Delta_ec 0.1995410E-01 Delta_et -0.2765443E+00 Pxc 0.7725763E+01 Qxc -0.5703820E+01 3,-1 115 3 +1 -1.114963 -1.252046 -2.126777 Rho 0.2534144E-01 |GRAD(Rho)| 0.4011454E-16 GRAD(Rho)x -0.1256920E-16 GRAD(Rho)y -0.1183688E-16 GRAD(Rho)z -0.3620884E-16 Laplacian 0.1009863E+00 (-1/4)Del**2(Rho)) -0.2524658E-01 Diamond 0.1426674E-01 Metallicity 0.1491887E+01 Ellipticity -0.5117436E+01 Gb(Abramov) 0.2310856E-01 Vb(Abramov) -0.2097054E-01 Hb(Abramov) 0.2138019E-02 Ex_ueg -0.5497434E-02 Ec_ueg -0.1105920E-02 Delta_ex -0.6389990E-02 Delta_ec 0.1867885E-02 Delta_et -0.1650863E-01 Pxc 0.4970913E+01 Qxc -0.3420977E+01 3,+1 116 3 -1 -2.747794 1.776864 -0.566610 Rho 0.1629015E+00 |GRAD(Rho)| 0.1429457E-12 GRAD(Rho)x 0.6644668E-13 GRAD(Rho)y -0.1243435E-12 GRAD(Rho)z -0.2360121E-13 Laplacian 0.6897947E+00 (-1/4)Del**2(Rho)) -0.1724487E+00 Diamond 0.1532344E+01 Metallicity 0.4854020E+01 Ellipticity 0.1645018E-01 Gb(Abramov) 0.2544773E+00 Vb(Abramov) -0.3365060E+00 Hb(Abramov) -0.8202867E-01 Ex_ueg -0.6570801E-01 Ec_ueg -0.9274444E-02 Delta_ex -0.7550417E-01 Delta_ec 0.1696469E-01 Delta_et -0.2278426E+00 Pxc 0.7084847E+01 Qxc -0.4450666E+01 3,-1 117 3 -1 -1.815887 -2.775284 0.580679 Rho 0.1425974E+00 |GRAD(Rho)| 0.4353574E-09 GRAD(Rho)x 0.3120988E-09 GRAD(Rho)y -0.9732085E-10 GRAD(Rho)z 0.2875049E-09 Laplacian 0.6033273E+00 (-1/4)Del**2(Rho)) -0.1508318E+00 Diamond 0.1154398E+01 Metallicity 0.4445423E+01 Ellipticity 0.9977607E-02 Gb(Abramov) 0.2123064E+00 Vb(Abramov) -0.2737810E+00 Hb(Abramov) -0.6147460E-01 Ex_ueg -0.5502170E-01 Ec_ueg -0.7971341E-02 Delta_ex -0.6403448E-01 Delta_ec 0.1557360E-01 Delta_et -0.2059736E+00 Pxc 0.6902441E+01 Qxc -0.4111734E+01 3,-1 118 3 +3 -1.836499 -1.844036 -1.851070 Rho 0.1243362E-01 |GRAD(Rho)| 0.2441570E-13 GRAD(Rho)x 0.1406538E-13 GRAD(Rho)y 0.1428824E-13 GRAD(Rho)z 0.1393332E-13 Laplacian 0.5708189E-01 (-1/4)Del**2(Rho)) -0.1427047E-01 Diamond 0.1315371E-02 Metallicity 0.8055844E+00 Ellipticity -0.7222572E+00 Gb(Abramov) 0.1142966E-01 Vb(Abramov) -0.8588847E-02 Hb(Abramov) 0.2840813E-02 Ex_ueg -0.2127398E-02 Ec_ueg -0.4796234E-03 Delta_ex -0.2532925E-02 Delta_ec 0.2064881E-03 Delta_et -0.1964566E-02 Pxc 0.4435558E+01 Qxc -0.1226669E+02 3,+3 119 3 +1 -1.187076 -2.107493 -1.179677 Rho 0.2566033E-01 |GRAD(Rho)| 0.2547827E-16 GRAD(Rho)x 0.9548004E-17 GRAD(Rho)y 0.1610315E-16 GRAD(Rho)z 0.1728198E-16 Laplacian 0.1044804E+00 (-1/4)Del**2(Rho)) -0.2612010E-01 Diamond 0.1580732E-01 Metallicity 0.1472365E+01 Ellipticity -0.8383963E+01 Gb(Abramov) 0.2382312E-01 Vb(Abramov) -0.2152614E-01 Hb(Abramov) 0.2296980E-02 Ex_ueg -0.5589866E-02 Ec_ueg -0.1122018E-02 Delta_ex -0.6715908E-02 Delta_ec 0.2080666E-02 Delta_et -0.1841806E-01 Pxc 0.4981975E+01 Qxc -0.3227768E+01 3,+1 120 3 +1 -1.767146 -1.750154 1.774702 Rho 0.1233208E-01 |GRAD(Rho)| 0.4289765E-16 GRAD(Rho)x -0.1743527E-17 GRAD(Rho)y 0.3253982E-16 GRAD(Rho)z 0.2789855E-16 Laplacian 0.6249960E-01 (-1/4)Del**2(Rho)) -0.1562490E-01 Diamond 0.2599384E-02 Metallicity 0.7257660E+00 Ellipticity -0.1242722E+01 Gb(Abramov) 0.1230660E-01 Vb(Abramov) -0.8988307E-02 Hb(Abramov) 0.3318297E-02 Ex_ueg -0.2104264E-02 Ec_ueg -0.4749207E-03 Delta_ex -0.3094206E-02 Delta_ec 0.8109773E-03 Delta_et -0.6121862E-02 Pxc 0.4430770E+01 Qxc -0.3815404E+01 3,+1 121 3 +1 -0.553821 -1.676260 0.534489 Rho 0.8582103E-02 |GRAD(Rho)| 0.1444734E-16 GRAD(Rho)x -0.4645238E-18 GRAD(Rho)y 0.4680162E-17 GRAD(Rho)z -0.1366038E-16 Laplacian 0.3576220E-01 (-1/4)Del**2(Rho)) -0.8940550E-02 Diamond 0.1015407E-02 Metallicity 0.6931786E+00 Ellipticity -0.1440003E+01 Gb(Abramov) 0.6993266E-02 Vb(Abramov) -0.5045983E-02 Hb(Abramov) 0.1947284E-02 Ex_ueg -0.1297707E-02 Ec_ueg -0.3041794E-03 Delta_ex -0.1660493E-02 Delta_ec 0.5525046E-03 Delta_et -0.3734267E-02 Pxc 0.4266255E+01 Qxc -0.3005391E+01 3,+1 122 3 +1 1.232963 1.131211 -2.128190 Rho 0.2562606E-01 |GRAD(Rho)| 0.7676145E-15 GRAD(Rho)x 0.9623706E-16 GRAD(Rho)y 0.7487413E-15 GRAD(Rho)z 0.1391290E-15 Laplacian 0.1028454E+00 (-1/4)Del**2(Rho)) -0.2571134E-01 Diamond 0.1495622E-01 Metallicity 0.1492444E+01 Ellipticity -0.5734709E+01 Gb(Abramov) 0.2353635E-01 Vb(Abramov) -0.2136136E-01 Hb(Abramov) 0.2174990E-02 Ex_ueg -0.5579914E-02 Ec_ueg -0.1120287E-02 Delta_ex -0.6548062E-02 Delta_ec 0.1940186E-02 Delta_et -0.1718833E-01 Pxc 0.4980791E+01 Qxc -0.3374967E+01 3,+1 123 3 -1 -0.368531 -0.356791 -0.381617 Rho 0.2034884E+00 |GRAD(Rho)| 0.2738469E-15 GRAD(Rho)x 0.1382093E-15 GRAD(Rho)y 0.1031106E-15 GRAD(Rho)z 0.2127405E-15 Laplacian 0.7376779E+00 (-1/4)Del**2(Rho)) -0.1844195E+00 Diamond 0.2399752E+01 Metallicity 0.6576262E+01 Ellipticity 0.1178050E-02 Gb(Abramov) 0.3250781E+00 Vb(Abramov) -0.4657368E+00 Hb(Abramov) -0.1406586E+00 Ex_ueg -0.8839708E-01 Ec_ueg -0.1195180E-01 Delta_ex -0.8712976E-01 Delta_ec 0.2016841E-01 Delta_et -0.2878332E+00 Pxc 0.7396131E+01 Qxc -0.4320111E+01 3,-1 124 3 +1 0.548332 -1.682272 -0.542944 Rho 0.8480862E-02 |GRAD(Rho)| 0.6711471E-17 GRAD(Rho)x -0.5746376E-17 GRAD(Rho)y -0.2557179E-17 GRAD(Rho)z -0.2341759E-17 Laplacian 0.3503942E-01 (-1/4)Del**2(Rho)) -0.8759856E-02 Diamond 0.9795613E-03 Metallicity 0.6936220E+00 Ellipticity -0.1445150E+01 Gb(Abramov) 0.6852576E-02 Vb(Abramov) -0.4945295E-02 Hb(Abramov) 0.1907281E-02 Ex_ueg -0.1277336E-02 Ec_ueg -0.2996527E-03 Delta_ex -0.1622420E-02 Delta_ec 0.5418420E-03 Delta_et -0.3650401E-02 Pxc 0.4262720E+01 Qxc -0.2994267E+01 3,+1 125 3 +1 1.681926 -0.548299 -0.540964 Rho 0.8538539E-02 |GRAD(Rho)| 0.1920814E-16 GRAD(Rho)x 0.1300448E-16 GRAD(Rho)y 0.3060631E-17 GRAD(Rho)z -0.1380104E-16 Laplacian 0.3535858E-01 (-1/4)Del**2(Rho)) -0.8839645E-02 Diamond 0.9976867E-03 Metallicity 0.6951699E+00 Ellipticity -0.1445426E+01 Gb(Abramov) 0.6917273E-02 Vb(Abramov) -0.4994900E-02 Hb(Abramov) 0.1922372E-02 Ex_ueg -0.1288931E-02 Ec_ueg -0.3022310E-03 Delta_ex -0.1639979E-02 Delta_ec 0.5468125E-03 Delta_et -0.3690444E-02 Pxc 0.4264722E+01 Qxc -0.2999161E+01 3,+1 126 3 +1 1.166582 -1.167754 2.108525 Rho 0.2526509E-01 |GRAD(Rho)| 0.2936187E-16 GRAD(Rho)x 0.1371581E-16 GRAD(Rho)y -0.1053894E-16 GRAD(Rho)z 0.2372608E-16 Laplacian 0.1028911E+00 (-1/4)Del**2(Rho)) -0.2572278E-01 Diamond 0.1525018E-01 Metallicity 0.1456923E+01 Ellipticity -0.7925032E+01 Gb(Abramov) 0.2339454E-01 Vb(Abramov) -0.2106630E-01 Hb(Abramov) 0.2328240E-02 Ex_ueg -0.5475361E-02 Ec_ueg -0.1102070E-02 Delta_ex -0.6588278E-02 Delta_ec 0.2051199E-02 Delta_et -0.1808455E-01 Pxc 0.4968251E+01 Qxc -0.3211916E+01 3,+1 127 3 -1 0.350577 -0.348991 0.354404 Rho 0.2047331E+00 |GRAD(Rho)| 0.4609211E-16 GRAD(Rho)x 0.3035618E-16 GRAD(Rho)y 0.2855784E-16 GRAD(Rho)z 0.1968337E-16 Laplacian 0.7468929E+00 (-1/4)Del**2(Rho)) -0.1867232E+00 Diamond 0.2441578E+01 Metallicity 0.6561475E+01 Ellipticity 0.2203680E-02 Gb(Abramov) 0.3286788E+00 Vb(Abramov) -0.4706343E+00 Hb(Abramov) -0.1419555E+00 Ex_ueg -0.8911874E-01 Ec_ueg -0.1203538E-01 Delta_ex -0.8831233E-01 Delta_ec 0.2031789E-01 Delta_et -0.2899760E+00 Pxc 0.7404731E+01 Qxc -0.4346530E+01 3,-1 128 3 -1 0.360132 0.369213 -0.382584 Rho 0.2034087E+00 |GRAD(Rho)| 0.1611601E-15 GRAD(Rho)x 0.7654279E-16 GRAD(Rho)y 0.1367214E-15 GRAD(Rho)z 0.3769685E-16 Laplacian 0.7378367E+00 (-1/4)Del**2(Rho)) -0.1844592E+00 Diamond 0.2398857E+01 Metallicity 0.6570555E+01 Ellipticity 0.5315810E-03 Gb(Abramov) 0.3249726E+00 Vb(Abramov) -0.4654861E+00 Hb(Abramov) -0.1405135E+00 Ex_ueg -0.8835092E-01 Ec_ueg -0.1194645E-01 Delta_ex -0.8713817E-01 Delta_ec 0.2017143E-01 Delta_et -0.2878518E+00 Pxc 0.7395579E+01 Qxc -0.4319882E+01 3,-1 129 3 +1 1.984348 1.982980 -1.995979 Rho 0.1265958E-01 |GRAD(Rho)| 0.2743270E-14 GRAD(Rho)x -0.1597026E-14 GRAD(Rho)y -0.1588083E-14 GRAD(Rho)z 0.1566215E-14 Laplacian 0.5986131E-01 (-1/4)Del**2(Rho)) -0.1496533E-01 Diamond 0.2101013E-02 Metallicity 0.7915878E+00 Ellipticity -0.1147098E+01 Gb(Abramov) 0.1195128E-01 Vb(Abramov) -0.8937233E-02 Hb(Abramov) 0.3014047E-02 Ex_ueg -0.2179101E-02 Ec_ueg -0.4901025E-03 Delta_ex -0.2855108E-02 Delta_ec 0.5462311E-03 Delta_et -0.4321762E-02 Pxc 0.4446216E+01 Qxc -0.5226922E+01 3,+1 130 3 -1 1.803373 2.782930 0.574235 Rho 0.1423137E+00 |GRAD(Rho)| 0.1856269E-15 GRAD(Rho)x 0.1025520E-15 GRAD(Rho)y -0.1543701E-15 GRAD(Rho)z 0.1050321E-16 Laplacian 0.6005887E+00 (-1/4)Del**2(Rho)) -0.1501472E+00 Diamond 0.1145656E+01 Metallicity 0.4450893E+01 Ellipticity 0.9175893E-02 Gb(Abramov) 0.2114796E+00 Vb(Abramov) -0.2728120E+00 Hb(Abramov) -0.6133243E-01 Ex_ueg -0.5487577E-01 Ec_ueg -0.7953309E-02 Delta_ex -0.6370479E-01 Delta_ec 0.1549604E-01 Delta_et -0.2048565E+00 Pxc 0.6899740E+01 Qxc -0.4111036E+01 3,-1 131 3 -1 1.969931 2.972952 -0.843517 Rho 0.1423416E+00 |GRAD(Rho)| 0.4569132E-15 GRAD(Rho)x 0.1081492E-15 GRAD(Rho)y -0.1320287E-15 GRAD(Rho)z 0.4238417E-15 Laplacian 0.5681356E+00 (-1/4)Del**2(Rho)) -0.1420339E+00 Diamond 0.1086680E+01 Metallicity 0.4706673E+01 Ellipticity 0.2666118E-01 Gb(Abramov) 0.2061071E+00 Vb(Abramov) -0.2701803E+00 Hb(Abramov) -0.6407322E-01 Ex_ueg -0.5489010E-01 Ec_ueg -0.7955080E-02 Delta_ex -0.6029392E-01 Delta_ec 0.1470901E-01 Delta_et -0.1945662E+00 Pxc 0.6900006E+01 Qxc -0.4099114E+01 3,-1 132 3 -1 1.686205 1.689295 -0.499507 Rho 0.3937830E-01 |GRAD(Rho)| 0.1992348E-15 GRAD(Rho)x -0.1289061E-15 GRAD(Rho)y -0.1354482E-15 GRAD(Rho)z -0.6878596E-16 Laplacian 0.1567582E+00 (-1/4)Del**2(Rho)) -0.3918954E-01 Diamond 0.5649312E-01 Metallicity 0.2003601E+01 Ellipticity 0.1117054E-01 Gb(Abramov) 0.3921306E-01 Vb(Abramov) -0.3923658E-01 Hb(Abramov) -0.2352002E-04 Ex_ueg -0.9894511E-02 Ec_ueg -0.1836760E-02 Delta_ex -0.1210075E-01 Delta_ec 0.4578999E-02 Delta_et -0.4530499E-01 Pxc 0.5386937E+01 Qxc -0.2642662E+01 3,-1 133 3 +1 2.109206 1.196971 -1.173758 Rho 0.2583879E-01 |GRAD(Rho)| 0.4552795E-16 GRAD(Rho)x -0.3647539E-16 GRAD(Rho)y 0.2090068E-16 GRAD(Rho)z 0.1747860E-16 Laplacian 0.1052734E+00 (-1/4)Del**2(Rho)) -0.2631836E-01 Diamond 0.1603241E-01 Metallicity 0.1478251E+01 Ellipticity -0.8176023E+01 Gb(Abramov) 0.2402976E-01 Vb(Abramov) -0.2174116E-01 Hb(Abramov) 0.2288598E-02 Ex_ueg -0.5641761E-02 Ec_ueg -0.1131038E-02 Delta_ex -0.6774227E-02 Delta_ec 0.2087717E-02 Delta_et -0.1851490E-01 Pxc 0.4988126E+01 Qxc -0.3244801E+01 3,+1 134 3 +3 1.843784 1.840271 -1.854424 Rho 0.1246132E-01 |GRAD(Rho)| 0.3481559E-15 GRAD(Rho)x -0.1922232E-15 GRAD(Rho)y -0.2043205E-15 GRAD(Rho)z 0.2061939E-15 Laplacian 0.5730859E-01 (-1/4)Del**2(Rho)) -0.1432715E-01 Diamond 0.1330898E-02 Metallicity 0.8053790E+00 Ellipticity -0.7311318E+00 Gb(Abramov) 0.1147456E-01 Vb(Abramov) -0.8621977E-02 Hb(Abramov) 0.2852585E-02 Ex_ueg -0.2133719E-02 Ec_ueg -0.4809069E-03 Delta_ex -0.2546354E-02 Delta_ec 0.2103354E-03 Delta_et -0.1993340E-02 Pxc 0.4436865E+01 Qxc -0.1210616E+02 3,+3 135 3 -1 2.777314 1.814584 0.578232 Rho 0.1428989E+00 |GRAD(Rho)| 0.3684254E-15 GRAD(Rho)x -0.1808585E-16 GRAD(Rho)y -0.3069647E-15 GRAD(Rho)z 0.2029355E-15 Laplacian 0.6040680E+00 (-1/4)Del**2(Rho)) -0.1510170E+00 Diamond 0.1158402E+01 Metallicity 0.4455627E+01 Ellipticity 0.9774340E-02 Gb(Abramov) 0.2128239E+00 Vb(Abramov) -0.2746308E+00 Hb(Abramov) -0.6180690E-01 Ex_ueg -0.5517685E-01 Ec_ueg -0.7990502E-02 Delta_ex -0.6414242E-01 Delta_ec 0.1557805E-01 Delta_et -0.2060830E+00 Pxc 0.6905304E+01 Qxc -0.4117487E+01 3,-1 136 3 -1 2.966695 1.976705 -0.842926 Rho 0.1430777E+00 |GRAD(Rho)| 0.2431048E-15 GRAD(Rho)x 0.1451205E-15 GRAD(Rho)y 0.1881904E-15 GRAD(Rho)z 0.5122855E-16 Laplacian 0.5703637E+00 (-1/4)Del**2(Rho)) -0.1425909E+00 Diamond 0.1096754E+01 Metallicity 0.4728765E+01 Ellipticity 0.2789836E-01 Gb(Abramov) 0.2074404E+00 Vb(Abramov) -0.2722899E+00 Hb(Abramov) -0.6484951E-01 Ex_ueg -0.5526890E-01 Ec_ueg -0.8001868E-02 Delta_ex -0.6059628E-01 Delta_ec 0.1472980E-01 Delta_et -0.1949520E+00 Pxc 0.6907000E+01 Qxc -0.4113858E+01 3,-1 137 3 +1 -2.109871 -1.223632 -1.143137 Rho 0.2585534E-01 |GRAD(Rho)| 0.7779174E-15 GRAD(Rho)x 0.4928531E-15 GRAD(Rho)y -0.3620993E-15 GRAD(Rho)z -0.4807654E-15 Laplacian 0.1046321E+00 (-1/4)Del**2(Rho)) -0.2615802E-01 Diamond 0.1563735E-01 Metallicity 0.1488899E+01 Ellipticity -0.6625605E+01 Gb(Abramov) 0.2392979E-01 Vb(Abramov) -0.2170156E-01 Hb(Abramov) 0.2228230E-02 Ex_ueg -0.5646578E-02 Ec_ueg -0.1131875E-02 Delta_ex -0.6701746E-02 Delta_ec 0.2017266E-02 Delta_et -0.1790329E-01 Pxc 0.4988695E+01 Qxc -0.3322193E+01 3,+1 138 3 -1 -3.199884 -0.072540 3.210704 Rho 0.2467120E+00 |GRAD(Rho)| 0.1164847E-13 GRAD(Rho)x 0.1023769E-13 GRAD(Rho)y -0.5358358E-14 GRAD(Rho)z -0.1471262E-14 Laplacian 0.8608389E+00 (-1/4)Del**2(Rho)) -0.2152097E+00 Diamond 0.3183156E+01 Metallicity 0.7768581E+01 Ellipticity 0.1284861E-02 Gb(Abramov) 0.4221188E+00 Vb(Abramov) -0.6290280E+00 Hb(Abramov) -0.2069091E+00 Ex_ueg -0.1142805E+00 Ec_ueg -0.1490433E-01 Delta_ex -0.1049438E+00 Delta_ec 0.1918895E-01 Delta_et -0.2675233E+00 Pxc 0.7667604E+01 Qxc -0.5468973E+01 3,-1 139 3 -1 -2.960620 0.820568 1.986761 Rho 0.1193646E+00 |GRAD(Rho)| 0.1082960E-15 GRAD(Rho)x 0.9159137E-16 GRAD(Rho)y 0.5778120E-16 GRAD(Rho)z 0.6098637E-18 Laplacian 0.4763994E+00 (-1/4)Del**2(Rho)) -0.1190999E+00 Diamond 0.7308079E+00 Metallicity 0.4185697E+01 Ellipticity 0.4458219E-01 Gb(Abramov) 0.1624859E+00 Vb(Abramov) -0.2058719E+00 Hb(Abramov) -0.4338604E-01 Ex_ueg -0.4340626E-01 Ec_ueg -0.6512341E-02 Delta_ex -0.4836982E-01 Delta_ec 0.1270152E-01 Delta_et -0.1629905E+00 Pxc 0.6665233E+01 Qxc -0.3808193E+01 3,-1 140 3 -1 -1.960083 2.933287 0.829345 Rho 0.1565873E+00 |GRAD(Rho)| 0.6000160E-12 GRAD(Rho)x 0.3227749E-12 GRAD(Rho)y 0.2629283E-12 GRAD(Rho)z 0.4320928E-12 Laplacian 0.6199430E+00 (-1/4)Del**2(Rho)) -0.1549858E+00 Diamond 0.1318259E+01 Metallicity 0.5056567E+01 Ellipticity 0.2384484E-01 Gb(Abramov) 0.2339398E+00 Vb(Abramov) -0.3128939E+00 Hb(Abramov) -0.7895406E-01 Ex_ueg -0.6233432E-01 Ec_ueg -0.8866523E-02 Delta_ex -0.6724180E-01 Delta_ec 0.1548388E-01 Delta_et -0.2071338E+00 Pxc 0.7030300E+01 Qxc -0.4342696E+01 3,-1 141 3 -1 -1.682783 1.679965 0.466244 Rho 0.5062238E-01 |GRAD(Rho)| 0.1547286E-15 GRAD(Rho)x 0.1080052E-15 GRAD(Rho)y -0.1009909E-15 GRAD(Rho)z 0.4557037E-16 Laplacian 0.2041062E+00 (-1/4)Del**2(Rho)) -0.5102656E-01 Diamond 0.1022402E+00 Metallicity 0.2338808E+01 Ellipticity 0.7662996E-02 Gb(Abramov) 0.5390792E-01 Vb(Abramov) -0.5678929E-01 Hb(Abramov) -0.2881367E-02 Ex_ueg -0.1383063E-01 Ec_ueg -0.2449306E-02 Delta_ex -0.1672652E-01 Delta_ec 0.5855306E-02 Delta_et -0.6187597E-01 Pxc 0.5646754E+01 Qxc -0.2856643E+01 3,-1 142 3 -1 -0.055864 3.190931 -3.203331 Rho 0.2570794E+00 |GRAD(Rho)| 0.2379213E-14 GRAD(Rho)x 0.2683671E-15 GRAD(Rho)y -0.2093811E-14 GRAD(Rho)z 0.1097538E-14 Laplacian 0.9247566E+00 (-1/4)Del**2(Rho)) -0.2311891E+00 Diamond 0.3545256E+01 Metallicity 0.7745173E+01 Ellipticity 0.2032889E-02 Gb(Abramov) 0.4525594E+00 Vb(Abramov) -0.6739297E+00 Hb(Abramov) -0.2213703E+00 Ex_ueg -0.1207280E+00 Ec_ueg -0.1562774E-01 Delta_ex -0.1137248E+00 Delta_ec 0.1994380E-01 Delta_et -0.2764064E+00 Pxc 0.7725236E+01 Qxc -0.5702264E+01 3,-1 143 3 -1 0.056115 3.201746 3.199225 Rho 0.2572761E+00 |GRAD(Rho)| 0.1947644E-11 GRAD(Rho)x -0.3096690E-12 GRAD(Rho)y -0.1376896E-11 GRAD(Rho)z -0.1342229E-11 Laplacian 0.9204658E+00 (-1/4)Del**2(Rho)) -0.2301164E+00 Diamond 0.3539993E+01 Metallicity 0.7791206E+01 Ellipticity 0.2071467E-02 Gb(Abramov) 0.4522251E+00 Vb(Abramov) -0.6743337E+00 Hb(Abramov) -0.2221086E+00 Ex_ueg -0.1208512E+00 Ec_ueg -0.1564153E-01 Delta_ex -0.1132585E+00 Delta_ec 0.1991532E-01 Delta_et -0.2763469E+00 Pxc 0.7726304E+01 Qxc -0.5687001E+01 3,-1 144 3 -1 0.583427 -1.817411 -2.781905 Rho 0.1434691E+00 |GRAD(Rho)| 0.2200811E-13 GRAD(Rho)x -0.2137852E-13 GRAD(Rho)y 0.6325100E-15 GRAD(Rho)z -0.5188036E-14 Laplacian 0.6053658E+00 (-1/4)Del**2(Rho)) -0.1513414E+00 Diamond 0.1164586E+01 Metallicity 0.4475680E+01 Ellipticity 0.8403967E-02 Gb(Abramov) 0.2137870E+00 Vb(Abramov) -0.2762325E+00 Hb(Abramov) -0.6244550E-01 Ex_ueg -0.5547058E-01 Ec_ueg -0.8026759E-02 Delta_ex -0.6432296E-01 Delta_ec 0.1556101E-01 Delta_et -0.2059030E+00 Pxc 0.6910707E+01 Qxc -0.4133597E+01 3,-1 145 3 +1 1.208275 -2.095274 1.141108 Rho 0.2451370E-01 |GRAD(Rho)| 0.2009298E-14 GRAD(Rho)x 0.1877438E-14 GRAD(Rho)y 0.6742104E-15 GRAD(Rho)z 0.2407229E-15 Laplacian 0.9822518E-01 (-1/4)Del**2(Rho)) -0.2455630E-01 Diamond 0.1372778E-01 Metallicity 0.1451237E+01 Ellipticity -0.6442650E+01 Gb(Abramov) 0.2231036E-01 Vb(Abramov) -0.2006443E-01 Hb(Abramov) 0.2245931E-02 Ex_ueg -0.5259326E-02 Ec_ueg -0.1064261E-02 Delta_ex -0.6213557E-02 Delta_ec 0.1910393E-02 Delta_et -0.1672261E-01 Pxc 0.4941765E+01 Qxc -0.3252502E+01 3,+1 146 3 -1 0.480157 -1.680552 1.689953 Rho 0.3843966E-01 |GRAD(Rho)| 0.5423650E-16 GRAD(Rho)x 0.2081531E-16 GRAD(Rho)y 0.1876051E-16 GRAD(Rho)z -0.4643668E-16 Laplacian 0.1527041E+00 (-1/4)Del**2(Rho)) -0.3817602E-01 Diamond 0.5334625E-01 Metallicity 0.1975734E+01 Ellipticity 0.1275503E-01 Gb(Abramov) 0.3802162E-01 Vb(Abramov) -0.3786723E-01 Hb(Abramov) 0.1543947E-03 Ex_ueg -0.9581302E-02 Ec_ueg -0.1786610E-02 Delta_ex -0.1172294E-01 Delta_ec 0.4471175E-02 Delta_et -0.4395274E-01 Pxc 0.5362838E+01 Qxc -0.2621893E+01 3,-1 147 3 -1 0.836909 -1.974639 2.971177 Rho 0.1447508E+00 |GRAD(Rho)| 0.2285325E-15 GRAD(Rho)x -0.1652595E-15 GRAD(Rho)y 0.8008188E-16 GRAD(Rho)z -0.1360267E-15 Laplacian 0.5783888E+00 (-1/4)Del**2(Rho)) -0.1445972E+00 Diamond 0.1127168E+01 Metallicity 0.4754394E+01 Ellipticity 0.2885450E-01 Gb(Abramov) 0.2109768E+00 Vb(Abramov) -0.2773564E+00 Hb(Abramov) -0.6637960E-01 Ex_ueg -0.5613235E-01 Ec_ueg -0.8108344E-02 Delta_ex -0.6161668E-01 Delta_ec 0.1488231E-01 Delta_et -0.1972820E+00 Pxc 0.6922788E+01 Qxc -0.4140263E+01 3,-1 148 3 +3 0.000275 -2.356809 -0.000790 Rho 0.4298582E-02 |GRAD(Rho)| 0.3340259E-17 GRAD(Rho)x 0.3133131E-18 GRAD(Rho)y -0.2571809E-17 GRAD(Rho)z -0.2108309E-17 Laplacian 0.1774147E-01 (-1/4)Del**2(Rho)) -0.4435368E-02 Diamond 0.1540707E-03 Metallicity 0.4413999E+00 Ellipticity -0.2614121E+00 Gb(Abramov) 0.3283207E-02 Vb(Abramov) -0.2131046E-02 Hb(Abramov) 0.1152161E-02 Ex_ueg -0.5162009E-03 Ec_ueg -0.1168539E-03 Delta_ex -0.6484542E-03 Delta_ec 0.1862806E-03 Delta_et -0.1119339E-02 Pxc 0.4417488E+01 Qxc -0.3481061E+01 3,+3 149 3 -1 1.680829 -1.677808 0.492717 Rho 0.3651553E-01 |GRAD(Rho)| 0.6209725E-16 GRAD(Rho)x -0.3059652E-16 GRAD(Rho)y 0.4601231E-16 GRAD(Rho)z 0.2833352E-16 Laplacian 0.1430639E+00 (-1/4)Del**2(Rho)) -0.3576598E-01 Diamond 0.4623939E-01 Metallicity 0.1935883E+01 Ellipticity 0.1069512E-01 Gb(Abramov) 0.3538378E-01 Vb(Abramov) -0.3500158E-01 Hb(Abramov) 0.3822024E-03 Ex_ueg -0.8947230E-02 Ec_ueg -0.1684330E-02 Delta_ex -0.1082010E-01 Delta_ec 0.4147249E-02 Delta_et -0.4020345E-01 Pxc 0.5312042E+01 Qxc -0.2608983E+01 3,-1 150 3 +1 2.095315 -1.207251 1.140518 Rho 0.2457548E-01 |GRAD(Rho)| 0.1503464E-15 GRAD(Rho)x 0.8404116E-16 GRAD(Rho)y 0.6757302E-16 GRAD(Rho)z 0.1047617E-15 Laplacian 0.9845807E-01 (-1/4)Del**2(Rho)) -0.2461452E-01 Diamond 0.1379490E-01 Metallicity 0.1453891E+01 Ellipticity -0.6432002E+01 Gb(Abramov) 0.2237415E-01 Vb(Abramov) -0.2013378E-01 Hb(Abramov) 0.2240369E-02 Ex_ueg -0.5277008E-02 Ec_ueg -0.1067364E-02 Delta_ex -0.6230931E-02 Delta_ec 0.1912334E-02 Delta_et -0.1675095E-01 Pxc 0.4943962E+01 Qxc -0.3258286E+01 3,+1 151 3 -1 2.971142 -0.835920 1.975709 Rho 0.1452509E+00 |GRAD(Rho)| 0.2208198E-15 GRAD(Rho)x -0.9629071E-16 GRAD(Rho)y 0.1675499E-15 GRAD(Rho)z 0.1068481E-15 Laplacian 0.5814139E+00 (-1/4)Del**2(Rho)) -0.1453535E+00 Diamond 0.1138969E+01 Metallicity 0.4756920E+01 Ellipticity 0.2821890E-01 Gb(Abramov) 0.2121415E+00 Vb(Abramov) -0.2789294E+00 Hb(Abramov) -0.6678799E-01 Ex_ueg -0.5639105E-01 Ec_ueg -0.8140200E-02 Delta_ex -0.6200367E-01 Delta_ec 0.1496980E-01 Delta_et -0.1985906E+00 Pxc 0.6927477E+01 Qxc -0.4141917E+01 3,-1 152 3 -1 2.787057 -1.813036 -0.578431 Rho 0.1429056E+00 |GRAD(Rho)| 0.5221086E-13 GRAD(Rho)x 0.2711508E-13 GRAD(Rho)y -0.4441166E-13 GRAD(Rho)z 0.4283832E-14 Laplacian 0.6052571E+00 (-1/4)Del**2(Rho)) -0.1513143E+00 Diamond 0.1160694E+01 Metallicity 0.4447219E+01 Ellipticity 0.8997662E-02 Gb(Abramov) 0.2130308E+00 Vb(Abramov) -0.2747474E+00 Hb(Abramov) -0.6171654E-01 Ex_ueg -0.5518029E-01 Ec_ueg -0.7990927E-02 Delta_ex -0.6426886E-01 Delta_ec 0.1560753E-01 Delta_et -0.2064723E+00 Pxc 0.6905368E+01 Qxc -0.4117811E+01 3,-1 153 3 -1 -3.202736 -3.194113 0.055150 Rho 0.2567957E+00 |GRAD(Rho)| 0.2339353E-14 GRAD(Rho)x -0.9027067E-15 GRAD(Rho)y 0.1684850E-14 GRAD(Rho)z -0.1348693E-14 Laplacian 0.9193613E+00 (-1/4)Del**2(Rho)) -0.2298403E+00 Diamond 0.3524286E+01 Metallicity 0.7776304E+01 Ellipticity 0.1152480E-02 Gb(Abramov) 0.4511116E+00 Vb(Abramov) -0.6723829E+00 Hb(Abramov) -0.2212713E+00 Ex_ueg -0.1205504E+00 Ec_ueg -0.1560787E-01 Delta_ex -0.1130499E+00 Delta_ec 0.1987236E-01 Delta_et -0.2755965E+00 Pxc 0.7723694E+01 Qxc -0.5688799E+01 3,-1 154 3 -1 -1.965854 -0.862712 -2.998176 Rho 0.1543621E+00 |GRAD(Rho)| 0.5624340E-12 GRAD(Rho)x 0.3096618E-12 GRAD(Rho)y -0.4066925E-12 GRAD(Rho)z -0.2346118E-12 Laplacian 0.6122410E+00 (-1/4)Del**2(Rho)) -0.1530603E+00 Diamond 0.1289121E+01 Metallicity 0.4999487E+01 Ellipticity 0.3826014E-01 Gb(Abramov) 0.2295773E+00 Vb(Abramov) -0.3060943E+00 Hb(Abramov) -0.7651703E-01 Ex_ueg -0.6115606E-01 Ec_ueg -0.8723336E-02 Delta_ex -0.6626224E-01 Delta_ec 0.1550808E-01 Delta_et -0.2074572E+00 Pxc 0.7010627E+01 Qxc -0.4272755E+01 3,-1 155 3 -1 -0.839034 2.959887 1.970948 Rho 0.1331617E+00 |GRAD(Rho)| 0.1354283E-14 GRAD(Rho)x 0.8372616E-15 GRAD(Rho)y -0.7038505E-15 GRAD(Rho)z 0.7985420E-15 Laplacian 0.5352802E+00 (-1/4)Del**2(Rho)) -0.1338200E+00 Diamond 0.9477052E+00 Metallicity 0.4470240E+01 Ellipticity 0.3754132E-01 Gb(Abramov) 0.1889146E+00 Vb(Abramov) -0.2440093E+00 Hb(Abramov) -0.5509460E-01 Ex_ueg -0.5022163E-01 Ec_ueg -0.7374498E-02 Delta_ex -0.5592684E-01 Delta_ec 0.1413913E-01 Delta_et -0.1852127E+00 Pxc 0.6810176E+01 Qxc -0.3955466E+01 3,-1 156 3 -1 -0.566730 1.801134 -2.787936 Rho 0.1424442E+00 |GRAD(Rho)| 0.4458625E-13 GRAD(Rho)x 0.3034835E-13 GRAD(Rho)y 0.3218979E-13 GRAD(Rho)z 0.5543383E-14 Laplacian 0.6030880E+00 (-1/4)Del**2(Rho)) -0.1507720E+00 Diamond 0.1152551E+01 Metallicity 0.4439225E+01 Ellipticity 0.9971268E-02 Gb(Abramov) 0.2120665E+00 Vb(Abramov) -0.2733609E+00 Hb(Abramov) -0.6129446E-01 Ex_ueg -0.5494288E-01 Ec_ueg -0.7961602E-02 Delta_ex -0.6399337E-01 Delta_ec 0.1557343E-01 Delta_et -0.2059425E+00 Pxc 0.6900983E+01 Qxc -0.4109138E+01 3,-1 157 3 -1 -0.836495 1.974538 2.970289 Rho 0.1453552E+00 |GRAD(Rho)| 0.2222928E-15 GRAD(Rho)x 0.1036633E-15 GRAD(Rho)y 0.1108597E-15 GRAD(Rho)z -0.1624135E-15 Laplacian 0.5792550E+00 (-1/4)Del**2(Rho)) -0.1448137E+00 Diamond 0.1135060E+01 Metallicity 0.4780363E+01 Ellipticity 0.3012902E-01 Gb(Abramov) 0.2119195E+00 Vb(Abramov) -0.2790253E+00 Hb(Abramov) -0.6710579E-01 Ex_ueg -0.5644503E-01 Ec_ueg -0.8146844E-02 Delta_ex -0.6177744E-01 Delta_ec 0.1489938E-01 Delta_et -0.1976505E+00 Pxc 0.6928453E+01 Qxc -0.4146309E+01 3,-1 158 3 -1 0.852877 1.968247 -2.992235 Rho 0.1517050E+00 |GRAD(Rho)| 0.1884085E-15 GRAD(Rho)x -0.1795168E-15 GRAD(Rho)y -0.5126921E-16 GRAD(Rho)z 0.2535678E-16 Laplacian 0.6017204E+00 (-1/4)Del**2(Rho)) -0.1504301E+00 Diamond 0.1240997E+01 Metallicity 0.4941796E+01 Ellipticity 0.3584191E-01 Gb(Abramov) 0.2241859E+00 Vb(Abramov) -0.2979416E+00 Hb(Abramov) -0.7375577E-01 Ex_ueg -0.5975645E-01 Ec_ueg -0.8552746E-02 Delta_ex -0.6484753E-01 Delta_ec 0.1531079E-01 Delta_et -0.2043384E+00 Pxc 0.6986815E+01 Qxc -0.4235415E+01 3,-1 159 3 +1 1.222008 2.110398 -1.149119 Rho 0.2581677E-01 |GRAD(Rho)| 0.9084172E-17 GRAD(Rho)x 0.8309334E-17 GRAD(Rho)y -0.7826409E-18 GRAD(Rho)z 0.3586730E-17 Laplacian 0.1042818E+00 (-1/4)Del**2(Rho)) -0.2607044E-01 Diamond 0.1551504E-01 Metallicity 0.1490188E+01 Ellipticity -0.6476792E+01 Gb(Abramov) 0.2385528E-01 Vb(Abramov) -0.2164011E-01 Hb(Abramov) 0.2215169E-02 Ex_ueg -0.5635350E-02 Ec_ueg -0.1129925E-02 Delta_ex -0.6672737E-02 Delta_ec 0.2003446E-02 Delta_et -0.1777521E-01 Pxc 0.4987368E+01 Qxc -0.3330629E+01 3,+1 160 3 -1 1.981312 0.834323 -2.981985 Rho 0.1376684E+00 |GRAD(Rho)| 0.8773698E-12 GRAD(Rho)x 0.5151054E-12 GRAD(Rho)y -0.6269925E-12 GRAD(Rho)z 0.3336534E-12 Laplacian 0.5502247E+00 (-1/4)Del**2(Rho)) -0.1375562E+00 Diamond 0.1010962E+01 Metallicity 0.4596887E+01 Ellipticity 0.2433543E-01 Gb(Abramov) 0.1970925E+00 Vb(Abramov) -0.2566288E+00 Hb(Abramov) -0.5953629E-01 Ex_ueg -0.5250060E-01 Ec_ueg -0.7658853E-02 Delta_ex -0.5792000E-01 Delta_ec 0.1435939E-01 Delta_et -0.1889746E+00 Pxc 0.6854891E+01 Qxc -0.4033596E+01 3,-1 161 3 -1 3.206523 -3.198679 -0.054691 Rho 0.2574070E+00 |GRAD(Rho)| 0.4306986E-12 GRAD(Rho)x -0.2977034E-12 GRAD(Rho)y 0.3027267E-12 GRAD(Rho)z 0.7232211E-13 Laplacian 0.9175460E+00 (-1/4)Del**2(Rho)) -0.2293865E+00 Diamond 0.3530661E+01 Metallicity 0.7822625E+01 Ellipticity 0.8262405E-03 Gb(Abramov) 0.4519918E+00 Vb(Abramov) -0.6745970E+00 Hb(Abramov) -0.2226053E+00 Ex_ueg -0.1209332E+00 Ec_ueg -0.1565070E-01 Delta_ex -0.1129130E+00 Delta_ec 0.1984676E-01 Delta_et -0.2753864E+00 Pxc 0.7727014E+01 Qxc -0.5689243E+01 3,-1 162 3 -1 -2.943677 1.949587 0.831813 Rho 0.1616105E+00 |GRAD(Rho)| 0.2855429E-15 GRAD(Rho)x 0.2020140E-15 GRAD(Rho)y -0.1035684E-15 GRAD(Rho)z -0.1732013E-15 Laplacian 0.6366730E+00 (-1/4)Del**2(Rho)) -0.1591683E+00 Diamond 0.1405657E+01 Metallicity 0.5189743E+01 Ellipticity 0.3030964E-01 Gb(Abramov) 0.2437859E+00 Vb(Abramov) -0.3284035E+00 Hb(Abramov) -0.8461764E-01 Ex_ueg -0.6501462E-01 Ec_ueg -0.9190847E-02 Delta_ex -0.6959470E-01 Delta_ec 0.1576693E-01 Delta_et -0.2117495E+00 Pxc 0.7073845E+01 Qxc -0.4413968E+01 3,-1 163 3 -1 -0.832275 -2.974943 -1.974419 Rho 0.1441332E+00 |GRAD(Rho)| 0.9723927E-16 GRAD(Rho)x 0.1603264E-16 GRAD(Rho)y 0.6610923E-16 GRAD(Rho)z -0.6948381E-16 Laplacian 0.5751749E+00 (-1/4)Del**2(Rho)) -0.1437937E+00 Diamond 0.1115137E+01 Metallicity 0.4747006E+01 Ellipticity 0.2912056E-01 Gb(Abramov) 0.2096274E+00 Vb(Abramov) -0.2754611E+00 Hb(Abramov) -0.6583370E-01 Ex_ueg -0.5581320E-01 Ec_ueg -0.8069016E-02 Delta_ex -0.6121005E-01 Delta_ec 0.1481466E-01 Delta_et -0.1962611E+00 Pxc 0.6916978E+01 Qxc -0.4131720E+01 3,-1 164 3 -1 -0.579133 -2.780534 1.815399 Rho 0.1432001E+00 |GRAD(Rho)| 0.4374119E-15 GRAD(Rho)x -0.3551033E-15 GRAD(Rho)y -0.2016345E-15 GRAD(Rho)z -0.1567621E-15 Laplacian 0.6063325E+00 (-1/4)Del**2(Rho)) -0.1515831E+00 Diamond 0.1164916E+01 Metallicity 0.4454591E+01 Ellipticity 0.8427351E-02 Gb(Abramov) 0.2135955E+00 Vb(Abramov) -0.2756080E+00 Hb(Abramov) -0.6201243E-01 Ex_ueg -0.5533197E-01 Ec_ueg -0.8009653E-02 Delta_ex -0.6440778E-01 Delta_ec 0.1561378E-01 Delta_et -0.2065887E+00 Pxc 0.6908161E+01 Qxc -0.4125061E+01 3,-1 165 3 -1 -0.563673 2.757874 -1.808217 Rho 0.1294524E+00 |GRAD(Rho)| 0.1357216E-14 GRAD(Rho)x 0.8359063E-15 GRAD(Rho)y -0.6583479E-16 GRAD(Rho)z -0.1067221E-14 Laplacian 0.5408043E+00 (-1/4)Del**2(Rho)) -0.1352011E+00 Diamond 0.9279395E+00 Metallicity 0.4221075E+01 Ellipticity 0.1461070E-01 Gb(Abramov) 0.1852497E+00 Vb(Abramov) -0.2352983E+00 Hb(Abramov) -0.5004862E-01 Ex_ueg -0.4836506E-01 Ec_ueg -0.7141452E-02 Delta_ex -0.5615010E-01 Delta_ec 0.1443370E-01 Delta_et -0.1882974E+00 Pxc 0.6772441E+01 Qxc -0.3890209E+01 3,-1 166 3 -1 1.812885 -0.582475 -2.783940 Rho 0.1423172E+00 |GRAD(Rho)| 0.2108531E-15 GRAD(Rho)x 0.1746514E-15 GRAD(Rho)y 0.6556713E-16 GRAD(Rho)z 0.9826937E-16 Laplacian 0.6004697E+00 (-1/4)Del**2(Rho)) -0.1501174E+00 Diamond 0.1144497E+01 Metallicity 0.4451959E+01 Ellipticity 0.8569952E-02 Gb(Abramov) 0.2114644E+00 Vb(Abramov) -0.2728113E+00 Hb(Abramov) -0.6134697E-01 Ex_ueg -0.5487759E-01 Ec_ueg -0.7953534E-02 Delta_ex -0.6368223E-01 Delta_ec 0.1547445E-01 Delta_et -0.2045325E+00 Pxc 0.6899774E+01 Qxc -0.4115315E+01 3,-1 167 3 -1 1.691679 0.485385 -1.697127 Rho 0.3994159E-01 |GRAD(Rho)| 0.1386112E-12 GRAD(Rho)x 0.1277334E-12 GRAD(Rho)y 0.1288476E-13 GRAD(Rho)z -0.5226120E-13 Laplacian 0.1592286E+00 (-1/4)Del**2(Rho)) -0.3980715E-01 Diamond 0.5863417E-01 Metallicity 0.2019766E+01 Ellipticity 0.1269082E-01 Gb(Abramov) 0.3993828E-01 Vb(Abramov) -0.4006942E-01 Hb(Abramov) -0.1311354E-03 Ex_ueg -0.1008367E-01 Ec_ueg -0.1866934E-02 Delta_ex -0.1234258E-01 Delta_ec 0.4664374E-02 Delta_et -0.4632760E-01 Pxc 0.5401194E+01 Qxc -0.2646139E+01 3,-1 168 3 -1 -2.787747 -1.809466 0.579954 Rho 0.1426601E+00 |GRAD(Rho)| 0.1358832E-15 GRAD(Rho)x 0.6266011E-16 GRAD(Rho)y 0.5484708E-16 GRAD(Rho)z -0.1073767E-15 Laplacian 0.5994067E+00 (-1/4)Del**2(Rho)) -0.1498517E+00 Diamond 0.1146685E+01 Metallicity 0.4477778E+01 Ellipticity 0.1132904E-01 Gb(Abramov) 0.2117349E+00 Vb(Abramov) -0.2736181E+00 Hb(Abramov) -0.6188320E-01 Ex_ueg -0.5505395E-01 Ec_ueg -0.7975324E-02 Delta_ex -0.6361649E-01 Delta_ec 0.1545521E-01 Delta_et -0.2043881E+00 Pxc 0.6903036E+01 Qxc -0.4116184E+01 3,-1 169 3 -1 -1.976350 -2.967535 -0.840239 Rho 0.1432940E+00 |GRAD(Rho)| 0.3851780E-13 GRAD(Rho)x -0.2344861E-13 GRAD(Rho)y 0.1271517E-13 GRAD(Rho)z 0.2778683E-13 Laplacian 0.5719560E+00 (-1/4)Del**2(Rho)) -0.1429890E+00 Diamond 0.1101661E+01 Metallicity 0.4727492E+01 Ellipticity 0.2752353E-01 Gb(Abramov) 0.2079892E+00 Vb(Abramov) -0.2729894E+00 Hb(Abramov) -0.6500022E-01 Ex_ueg -0.5538038E-01 Ec_ueg -0.8015628E-02 Delta_ex -0.6078624E-01 Delta_ec 0.1476257E-01 Delta_et -0.1954233E+00 Pxc 0.6909051E+01 Qxc -0.4117593E+01 3,-1 170 3 -1 -0.831970 -1.989661 -2.980366 Rho 0.1356375E+00 |GRAD(Rho)| 0.2390403E-15 GRAD(Rho)x -0.2187513E-15 GRAD(Rho)y -0.9405454E-16 GRAD(Rho)z -0.2101997E-16 Laplacian 0.5428728E+00 (-1/4)Del**2(Rho)) -0.1357182E+00 Diamond 0.9800950E+00 Metallicity 0.4545151E+01 Ellipticity 0.2186862E-01 Gb(Abramov) 0.1932887E+00 Vb(Abramov) -0.2508593E+00 Hb(Abramov) -0.5757055E-01 Ex_ueg -0.5147049E-01 Ec_ueg -0.7530550E-02 Delta_ex -0.5694394E-01 Delta_ec 0.1422436E-01 Delta_et -0.1867754E+00 Pxc 0.6834891E+01 Qxc -0.4003269E+01 3,-1 171 3 -1 -0.581477 -1.823048 2.797618 Rho 0.1382725E+00 |GRAD(Rho)| 0.5883638E-14 GRAD(Rho)x 0.4149188E-14 GRAD(Rho)y -0.4079202E-14 GRAD(Rho)z -0.8726676E-15 Laplacian 0.5824628E+00 (-1/4)Del**2(Rho)) -0.1456157E+00 Diamond 0.1076549E+01 Metallicity 0.4374260E+01 Ellipticity 0.1013535E-01 Gb(Abramov) 0.2032373E+00 Vb(Abramov) -0.2608589E+00 Hb(Abramov) -0.5762159E-01 Ex_ueg -0.5280797E-01 Ec_ueg -0.7697064E-02 Delta_ex -0.6138666E-01 Delta_ec 0.1519872E-01 Delta_et -0.2001844E+00 Pxc 0.6860793E+01 Qxc -0.4038936E+01 3,-1 172 3 -1 -0.483695 -1.692803 -1.693873 Rho 0.3925917E-01 |GRAD(Rho)| 0.6321222E-16 GRAD(Rho)x 0.1945084E-16 GRAD(Rho)y -0.2602170E-16 GRAD(Rho)z -0.5422472E-16 Laplacian 0.1558749E+00 (-1/4)Del**2(Rho)) -0.3896873E-01 Diamond 0.5598872E-01 Metallicity 0.2004805E+01 Ellipticity 0.1445692E-01 Gb(Abramov) 0.3899994E-01 Vb(Abramov) -0.3903115E-01 Hb(Abramov) -0.3120725E-04 Ex_ueg -0.9854621E-02 Ec_ueg -0.1830386E-02 Delta_ex -0.1202619E-01 Delta_ec 0.4558061E-02 Delta_et -0.4506161E-01 Pxc 0.5383902E+01 Qxc -0.2638443E+01 3,-1 173 3 -1 0.845642 2.966068 -1.986309 Rho 0.1466918E+00 |GRAD(Rho)| 0.6543634E-13 GRAD(Rho)x 0.2761642E-13 GRAD(Rho)y -0.2863644E-13 GRAD(Rho)z 0.5195386E-13 Laplacian 0.5859079E+00 (-1/4)Del**2(Rho)) -0.1464770E+00 Diamond 0.1159704E+01 Metallicity 0.4798735E+01 Ellipticity 0.3221919E-01 Gb(Abramov) 0.2148020E+00 Vb(Abramov) -0.2831271E+00 Hb(Abramov) -0.6832504E-01 Ex_ueg -0.5713814E-01 Ec_ueg -0.8232078E-02 Delta_ex -0.6261592E-01 Delta_ec 0.1501675E-01 Delta_et -0.1994280E+00 Pxc 0.6940914E+01 Qxc -0.4169739E+01 3,-1 174 3 -1 3.192211 3.202089 0.055913 Rho 0.2568533E+00 |GRAD(Rho)| 0.1261935E-13 GRAD(Rho)x -0.1634977E-15 GRAD(Rho)y 0.7299716E-14 GRAD(Rho)z 0.1029249E-13 Laplacian 0.9198495E+00 (-1/4)Del**2(Rho)) -0.2299624E+00 Diamond 0.3525987E+01 Metallicity 0.7775081E+01 Ellipticity 0.9515848E-03 Gb(Abramov) 0.4513043E+00 Vb(Abramov) -0.6726462E+00 Hb(Abramov) -0.2213419E+00 Ex_ueg -0.1205865E+00 Ec_ueg -0.1561191E-01 Delta_ex -0.1131111E+00 Delta_ec 0.1987181E-01 Delta_et -0.2755427E+00 Pxc 0.7724007E+01 Qxc -0.5692040E+01 3,-1 175 3 -1 0.841837 -2.974557 1.974601 Rho 0.1459602E+00 |GRAD(Rho)| 0.3373853E-15 GRAD(Rho)x 0.2799952E-15 GRAD(Rho)y -0.1104260E-15 GRAD(Rho)z -0.1524388E-15 Laplacian 0.5846830E+00 (-1/4)Del**2(Rho)) -0.1461708E+00 Diamond 0.1151537E+01 Metallicity 0.4768883E+01 Ellipticity 0.2908402E-01 Gb(Abramov) 0.2136257E+00 Vb(Abramov) -0.2810807E+00 Hb(Abramov) -0.6745496E-01 Ex_ueg -0.5675850E-01 Ec_ueg -0.8185411E-02 Delta_ex -0.6242086E-01 Delta_ec 0.1502570E-01 Delta_et -0.1994512E+00 Pxc 0.6934105E+01 Qxc -0.4154272E+01 3,-1 176 3 -1 1.971982 -0.833161 2.970086 Rho 0.1433123E+00 |GRAD(Rho)| 0.1283127E-13 GRAD(Rho)x 0.7032501E-14 GRAD(Rho)y 0.9926386E-14 GRAD(Rho)z -0.4080720E-14 Laplacian 0.5727455E+00 (-1/4)Del**2(Rho)) -0.1431864E+00 Diamond 0.1103307E+01 Metallicity 0.4721976E+01 Ellipticity 0.2719878E-01 Gb(Abramov) 0.2081447E+00 Vb(Abramov) -0.2731030E+00 Hb(Abramov) -0.6495832E-01 Ex_ueg -0.5538977E-01 Ec_ueg -0.8016787E-02 Delta_ex -0.6087158E-01 Delta_ec 0.1478166E-01 Delta_et -0.1956780E+00 Pxc 0.6909223E+01 Qxc -0.4118048E+01 3,-1 177 3 -1 -0.049786 -3.209542 3.197766 Rho 0.2570253E+00 |GRAD(Rho)| 0.2746529E-14 GRAD(Rho)x 0.1563040E-14 GRAD(Rho)y -0.2255899E-14 GRAD(Rho)z -0.1060350E-15 Laplacian 0.9196197E+00 (-1/4)Del**2(Rho)) -0.2299049E+00 Diamond 0.3529675E+01 Metallicity 0.7785707E+01 Ellipticity 0.1321130E-02 Gb(Abramov) 0.4515987E+00 Vb(Abramov) -0.6732925E+00 Hb(Abramov) -0.2216938E+00 Ex_ueg -0.1206942E+00 Ec_ueg -0.1562396E-01 Delta_ex -0.1131112E+00 Delta_ec 0.1987772E-01 Delta_et -0.2756995E+00 Pxc 0.7724942E+01 Qxc -0.5690350E+01 3,-1 178 3 -1 -2.972942 -1.968605 -0.840945 Rho 0.1427495E+00 |GRAD(Rho)| 0.3820698E-09 GRAD(Rho)x -0.1560799E-09 GRAD(Rho)y 0.2137442E-09 GRAD(Rho)z -0.2755537E-09 Laplacian 0.5697219E+00 (-1/4)Del**2(Rho)) -0.1424305E+00 Diamond 0.1093171E+01 Metallicity 0.4716006E+01 Ellipticity 0.2756351E-01 Gb(Abramov) 0.2069042E+00 Vb(Abramov) -0.2713779E+00 Hb(Abramov) -0.6447368E-01 Ex_ueg -0.5509993E-01 Ec_ueg -0.7981003E-02 Delta_ex -0.6050133E-01 Delta_ec 0.1473419E-01 Delta_et -0.1949707E+00 Pxc 0.6903885E+01 Qxc -0.4106186E+01 3,-1 179 3 -1 1.812480 0.584504 2.790032 Rho 0.1388280E+00 |GRAD(Rho)| 0.1477342E-12 GRAD(Rho)x 0.1024233E-12 GRAD(Rho)y -0.1016170E-12 GRAD(Rho)z -0.3176239E-13 Laplacian 0.5875628E+00 (-1/4)Del**2(Rho)) -0.1468907E+00 Diamond 0.1090682E+01 Metallicity 0.4365368E+01 Ellipticity 0.7715442E-02 Gb(Abramov) 0.2047991E+00 Vb(Abramov) -0.2627075E+00 Hb(Abramov) -0.5790841E-01 Ex_ueg -0.5309104E-01 Ec_ueg -0.7732228E-02 Delta_ex -0.6197853E-01 Delta_ec 0.1530634E-01 Delta_et -0.2017049E+00 Pxc 0.6866202E+01 Qxc -0.4049207E+01 3,-1 180 3 -1 2.972938 -1.973703 0.840433 Rho 0.1445284E+00 |GRAD(Rho)| 0.1518361E-12 GRAD(Rho)x -0.4886042E-13 GRAD(Rho)y -0.9321794E-13 GRAD(Rho)z -0.1094407E-12 Laplacian 0.5789942E+00 (-1/4)Del**2(Rho)) -0.1447485E+00 Diamond 0.1126879E+01 Metallicity 0.4737267E+01 Ellipticity 0.2746058E-01 Gb(Abramov) 0.2107844E+00 Vb(Abramov) -0.2768203E+00 Hb(Abramov) -0.6603590E-01 Ex_ueg -0.5601739E-01 Ec_ueg -0.8094181E-02 Delta_ex -0.6166441E-01 Delta_ec 0.1491495E-01 Delta_et -0.1976950E+00 Pxc 0.6920699E+01 Qxc -0.4134402E+01 3,-1 181 3 -1 0.073765 -3.214005 -3.191632 Rho 0.2570798E+00 |GRAD(Rho)| 0.1236395E-15 GRAD(Rho)x -0.6827763E-16 GRAD(Rho)y 0.5908902E-16 GRAD(Rho)z 0.8445935E-16 Laplacian 0.9204961E+00 (-1/4)Del**2(Rho)) -0.2301240E+00 Diamond 0.3532329E+01 Metallicity 0.7781045E+01 Ellipticity 0.1505646E-02 Gb(Abramov) 0.4518502E+00 Vb(Abramov) -0.6735764E+00 Hb(Abramov) -0.2217262E+00 Ex_ueg -0.1207283E+00 Ec_ueg -0.1562778E-01 Delta_ex -0.1132175E+00 Delta_ec 0.1988138E-01 Delta_et -0.2756838E+00 Pxc 0.7725238E+01 Qxc -0.5694646E+01 3,-1 182 3 -1 -4.063890 3.968352 -0.896770 Rho 0.3265076E+00 |GRAD(Rho)| 0.4532292E-13 GRAD(Rho)x -0.1032941E-13 GRAD(Rho)y 0.2282137E-13 GRAD(Rho)z 0.3777110E-13 Laplacian -0.1820309E+01 (-1/4)Del**2(Rho)) 0.4550772E+00 Diamond 0.6377610E+01 Metallicity -0.5860802E+01 Ellipticity 0.1793620E-02 Gb(Abramov) 0.1411347E+00 Vb(Abramov) -0.7373466E+00 Hb(Abramov) -0.5962119E+00 Ex_ueg -0.1660515E+00 Ec_ueg -0.2062475E-01 Delta_ex 0.1832024E+00 Delta_ec 0.6262900E-01 Delta_et -0.1502266E+01 Pxc 0.8051082E+01 Qxc 0.2925201E+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 77 146 171 164 147 175 177 172 144 101 170 163 181 91 156 165 158 173 142 90 93 78 157 155 143 149 152 97 180 98 161 132 135 130 136 131 174 141 116 79 162 140 57 55 168 117 178 169 153 58 68 65 110 154 114 66 112 64 139 70 138 106 108 179 151 176 104 167 105 166 107 160 102 127 123 128 83 182 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 54 2.479259 1.943445 1.929270 1.935518 1.931673 1.718241 2.471739 1.929068 1.919615 1.960934 1.937468 1.718184 2.451910 1.931538 1.970955 1.917510 1.930582 1.718058 2.489670 1.911172 1.927335 1.934630 1.967574 1.717845 2.504307 1.929942 1.932833 1.935693 1.937278 1.717748 2.470068 1.930283 1.932044 1.940492 1.942353 1.718512 2.355641 1.880156 1.893900 1.894874 1.906509 1.851648 2.472675 1.931626 1.931012 1.941165 1.939727 1.718590 2.451196 1.984579 1.924726 1.932672 1.910510 1.717900 2.528410 1.930729 1.911626 1.988409 1.946446 1.706731 2.476698 1.927271 1.941291 1.933719 1.939447 1.718142 2.463741 1.923833 1.932171 1.937072 1.955273 1.718364 1.551729 1.554319 1.554452 1.562014 0.982151 2.480268 1.943886 1.929643 1.936208 1.932302 1.718246 2.472706 1.929486 1.919981 1.961634 1.938132 1.718185 2.452970 1.931920 1.971338 1.918118 1.931232 1.718064 2.490649 1.911587 1.927704 1.935268 1.967982 1.717848 2.505245 1.930361 1.933250 1.936339 1.937970 1.717753 2.471064 1.930699 1.932418 1.941143 1.943043 1.718516 2.356692 1.880721 1.894481 1.895658 1.907358 1.853350 2.473668 1.932089 1.931372 1.941820 1.940412 1.718591 2.452267 1.984948 1.925171 1.933330 1.911104 1.717903 2.529319 1.931256 1.912146 1.988988 1.947299 1.706737 2.477714 1.927651 1.941657 1.934396 1.940101 1.718147 2.464726 1.924243 1.932592 1.937768 1.955940 1.718366 1.551733 1.554327 1.554462 1.562081 0.982450 29 25 23 26 23 21 29 25 23 26 23 21 29 23 23 23 23 22 29 26 23 23 23 21 29 25 26 23 26 21 29 26 23 23 26 22 27 23 25 23 26 25 29 25 23 23 26 21 29 23 25 23 23 22 29 23 25 23 23 20 29 23 23 26 23 23 29 25 26 26 23 20 20 20 21 22 18 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 W W W W W W W W 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 O P H 2.5320 2.5341 2.5371 2.5253 2.5311 2.5357 2.6382 2.5320 2.5368 2.4049 2.5352 2.5338 -1.0425 -1.0520 -1.0523 -1.0507 -0.9122 -0.9458 -0.9243 -0.9467 -0.9460 -0.9446 -0.9478 -0.9095 -0.9284 -0.9445 -0.9459 -0.9454 -0.9412 -0.9395 -0.9418 -0.8929 -0.9411 -0.9382 -0.9063 -0.9377 -0.9425 -0.9230 -0.9414 -0.9396 -0.7165 -0.7167 -0.7137 -0.7140 -0.7163 -0.7181 -0.6690 -0.7177 -0.7124 -0.6341 -0.7166 -0.7172 2.4049 0.3049 2.0778 2.0798 2.0772 2.0787 2.0798 2.0794 2.0681 2.0781 2.0775 1.9404 2.0795 2.0800 1.8920 1.8915 1.8912 1.8937 1.9399 1.9355 1.9405 1.9354 1.9355 1.9359 1.9353 1.9408 1.9396 1.9361 1.9355 1.9354 1.9479 1.9482 1.9481 1.9521 1.9479 1.9488 1.9503 1.9490 1.9482 1.9514 1.9480 1.9483 1.9784 1.9787 1.9788 1.9795 1.9790 1.9784 1.8793 1.9782 1.9789 1.9915 1.9785 1.9785 2.4835 0.5966 6.0785 6.0803 6.0790 6.0837 6.0815 6.0795 6.0859 6.0784 6.0784 6.0490 6.0795 6.0803 5.1096 5.1191 5.1195 5.1153 4.9438 4.9795 4.9525 4.9807 4.9800 4.9777 4.9819 4.9398 4.9578 4.9778 4.9798 4.9789 4.9595 4.9577 4.9603 4.9091 4.9598 4.9555 4.9250 4.9547 4.9610 4.9376 4.9596 4.9577 4.6985 4.6984 4.6952 4.6947 4.6977 4.7003 4.7570 4.7000 4.6938 4.6048 4.6985 4.6992 7.2749 0.0984 3.2830 3.2769 3.2779 3.2835 3.2786 3.2766 3.1768 3.2827 3.2785 3.6056 3.2769 3.2771 0.0409 0.0414 0.0416 0.0416 0.0286 0.0309 0.0314 0.0306 0.0305 0.0310 0.0306 0.0290 0.0310 0.0306 0.0306 0.0310 0.0338 0.0335 0.0333 0.0317 0.0334 0.0339 0.0310 0.0340 0.0333 0.0339 0.0338 0.0337 0.0396 0.0395 0.0397 0.0397 0.0396 0.0395 0.0327 0.0395 0.0397 0.0378 0.0396 0.0395 0.8367 0.0000 14.0289 14.0289 14.0288 14.0289 14.0289 14.0289 14.0310 14.0288 14.0288 0.0000 14.0289 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W W W W W W W W 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 O P H 2.530086 2.530097 2.530652 2.528479 2.530008 2.530196 2.580709 2.528854 2.530601 3.188869 2.531639 2.530557 -1.033468 -1.035130 -1.035549 -1.056564 -1.044351 -0.929275 -0.909193 -0.930025 -0.930861 -0.927857 -0.930620 -1.046837 -0.914821 -0.927162 -0.930571 -0.928951 -0.902203 -0.901734 -0.902877 -0.987609 -0.902528 -0.899104 -1.013916 -0.898290 -0.903196 -0.884920 -0.902139 -0.901595 -0.735520 -0.735915 -0.731529 -0.731540 -0.734976 -0.737600 -0.493319 -0.737214 -0.730289 -0.897055 -0.735918 -0.736603 2.006546 0.171529 1.961640 1.955282 1.956784 1.960461 1.954786 1.954095 1.843829 1.958873 1.957712 2.382680 1.956349 1.955051 -0.778833 -0.777268 -0.774228 -0.800274 -0.794854 -0.695671 -0.661209 -0.696037 -0.697003 -0.697619 -0.693982 -0.800277 -0.663410 -0.694139 -0.694772 -0.696131 -0.724499 -0.722287 -0.727220 -0.775090 -0.722296 -0.727077 -0.811005 -0.726589 -0.725880 -0.684847 -0.723724 -0.725993 -0.612106 -0.614756 -0.608056 -0.604098 -0.614064 -0.617604 -0.618419 -0.614719 -0.605960 -0.645167 -0.615367 -0.615911 1.548615 0.452288 2.058903 2.051961 2.051402 2.052896 2.051533 2.051765 2.066334 2.057056 2.051264 2.457715 2.052883 2.052223 -0.831445 -0.825429 -0.823271 -0.843156 -0.867744 -0.769639 -0.763186 -0.771173 -0.771382 -0.770603 -0.767996 -0.871028 -0.765826 -0.772249 -0.770493 -0.769206 -0.761635 -0.757301 -0.763744 -0.820988 -0.756564 -0.759865 -0.854834 -0.759085 -0.763400 -0.735325 -0.760540 -0.762207 -0.579346 -0.582612 -0.575940 -0.568682 -0.581563 -0.585336 -0.615460 -0.582316 -0.573866 -0.605293 -0.582871 -0.583776 1.516315 0.454122 -8.57901948 7.31060168 -1.35991589 11.35314245 11.75687490 -34.16905857 6.97353476 5.52580793 -10.36448707 -17.28268283 -421.8247 405.8710 -54.0329 -386.6742 -5.0992 -461.7601 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 Mar25-2024 11:56:10 Nodes: 1 Procs: 1 0 Mar25-2024 11:56:11 Nodes: 1 Procs: 1 Mar25-2024 11:56:11 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar25-2024 11:56:12 Nodes: 1 Procs: 1 Mar25-2024 11:56:12 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar25-2024 11:56:13 Nodes: 1 Procs: 1 Mar25-2024 11:56:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar25-2024 11:56:14 Nodes: 1 Procs: 1 Mar25-2024 11:56:15 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar25-2024 11:56:17 Nodes: 1 Procs: 24 *** (NO TITLE) *** -2 -16.26280919 -16.77467035 -16.22369423 -16.91943160 -16.95723055 -16.96488496 -16.96653376 -16.96812232 -16.96891740 -16.96907350 -16.96928565 -16.96934443 -16.96937032 GEOMETRY CONVERGED