ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.04 1.96 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.07 1.87 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:28 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.59 0.06 2.60 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:44 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.06 1.36 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:54 Hydrogen (TZP) c5-56 c5-56 c5-56 c5-56 c5-56 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.06 4.09 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Jun10-2024 15:29:00 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:18 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2185.561199999999 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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 2019.304 Jun10-2024 15:29:00 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun10-2024 15:28:48 1 1 Oxygen TZP 1s t21.Mo ADF 2019.304 Jun10-2024 15:28:36 1 1 Molybdenum TZP 3d t21.As ADF 2019.304 Jun10-2024 15:28:21 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun10-2024 15:28:12 1 1 Hydrogen TZP 1 1 -13.98364466 0.24707000 0.00100000 F 0.09674864 0.00066667 F 0.24707000 0.09674864 0.23508696 0.01000000 F 0.05411017 0.00666667 F Cartesian 2185.561199999999 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-1.740766 -0.099123 3.174619 Rho 0.3187052E+03 3,-3 19 3 -3 2.836250 1.255419 -1.267724 Rho 0.3188607E+03 3,-3 20 3 -3 -2.157163 2.191461 -1.809654 Rho 0.3187119E+03 3,-3 21 3 -3 3.332984 -0.939193 0.008091 Rho 0.3188691E+03 3,-3 22 3 -3 -2.207419 2.191378 1.734741 Rho 0.3193388E+03 3,-3 23 3 -3 0.901499 -3.238479 0.018407 Rho 0.3188021E+03 3,-3 24 3 -3 0.118931 1.744500 2.944349 Rho 0.3189054E+03 3,-3 25 3 -3 -1.288214 -3.196822 -1.622016 Rho 0.3192636E+03 3,-3 26 3 -3 2.889716 1.269414 1.360141 Rho 0.3188743E+03 3,-3 27 3 -3 -1.759013 -0.106186 -3.194771 Rho 0.3191878E+03 3,-3 28 3 -3 2.069956 -0.067089 -3.478618 Rho 0.3189701E+03 3,-3 29 3 -3 -0.759240 4.456811 -2.842018 Rho 0.3192518E+03 3,-3 30 3 -3 1.404967 3.497046 -1.355028 Rho 0.3189412E+03 3,-3 31 3 -3 0.173582 -1.978735 3.575390 Rho 0.3189262E+03 3,-3 32 3 -3 2.487971 -2.353966 -2.083371 Rho 0.3190013E+03 3,-3 33 3 -3 -0.966864 3.909546 -0.083515 Rho 0.3189767E+03 3,-3 34 3 -3 2.461212 -2.375375 2.164007 Rho 0.3190190E+03 3,-3 35 3 -3 0.802601 -4.601293 2.545750 Rho 0.3192083E+03 3,-3 36 3 -3 2.078079 -0.063861 3.457587 Rho 0.3189291E+03 3,-3 37 3 -3 0.231101 -2.044836 -3.576547 Rho 0.3188998E+03 3,-3 38 3 -3 1.357968 3.516464 1.299085 Rho 0.3190158E+03 3,-3 39 3 -3 0.893727 -4.630697 -2.505838 Rho 0.3192075E+03 3,-3 40 3 -3 4.661219 -0.599091 -2.523867 Rho 0.3192315E+03 3,-3 41 3 -3 -0.925592 4.452167 2.730771 Rho 0.3193549E+03 3,-3 42 3 -3 4.691561 -0.691409 2.478773 Rho 0.3192442E+03 3,-3 43 3 -3 -0.660887 3.063370 1.695801 Rho 0.1240649E+06 3,-3 44 3 -3 -0.333463 -0.091302 -0.008190 Rho 0.4276109E+05 3,-3 45 3 -3 -2.007825 0.593360 2.508250 Rho 0.4420898E+00 3,-3 46 3 -3 -2.101995 1.269890 -2.205058 Rho 0.4351732E+00 3,-3 47 3 +1 -1.764430 0.319836 -1.529562 Rho 0.6179143E-02 |GRAD(Rho)| 0.2156951E-17 GRAD(Rho)x 0.1279942E-17 GRAD(Rho)y -0.1006937E-17 GRAD(Rho)z -0.1414306E-17 Laplacian 0.2186802E-01 (-1/4)Del**2(Rho)) -0.5467004E-02 Diamond 0.4462195E-03 Metallicity 0.6556683E+00 Ellipticity -0.1672350E+01 Gb(Abramov) 0.4242093E-02 Vb(Abramov) -0.3017182E-02 Hb(Abramov) 0.1224911E-02 Ex_ueg -0.8374445E-03 Ec_ueg -0.1980038E-03 Delta_ex -0.9710318E-03 Delta_ec 0.3988332E-03 Delta_et -0.2421608E-02 Pxc 0.4229437E+01 Qxc -0.2434681E+01 3,+1 48 3 -1 -1.866608 0.875029 -0.990385 Rho 0.7905411E-02 |GRAD(Rho)| 0.1774727E-16 GRAD(Rho)x -0.3362844E-17 GRAD(Rho)y 0.1189471E-16 GRAD(Rho)z -0.1273471E-16 Laplacian 0.2909808E-01 (-1/4)Del**2(Rho)) -0.7274519E-02 Diamond 0.1321543E-02 Metallicity 0.7429444E+00 Ellipticity 0.2735199E+00 Gb(Abramov) 0.5750440E-02 Vb(Abramov) -0.4226361E-02 Hb(Abramov) 0.1524079E-02 Ex_ueg -0.1163102E-02 Ec_ueg -0.2740103E-03 Delta_ex -0.1617584E-02 Delta_ec 0.9740094E-03 Delta_et -0.6044420E-02 Pxc 0.4244738E+01 Qxc -0.1660748E+01 3,-1 49 3 +3 -0.937033 0.723372 -1.646025 Rho 0.4920601E-02 |GRAD(Rho)| 0.1325662E-16 GRAD(Rho)x -0.2189441E-17 GRAD(Rho)y 0.1300770E-16 GRAD(Rho)z -0.1320594E-17 Laplacian 0.1861387E-01 (-1/4)Del**2(Rho)) -0.4653467E-02 Diamond 0.1494095E-03 Metallicity 0.5269952E+00 Ellipticity -0.4636401E+00 Gb(Abramov) 0.3511037E-02 Vb(Abramov) -0.2368607E-02 Hb(Abramov) 0.1142430E-02 Ex_ueg -0.6181244E-03 Ec_ueg -0.1434975E-03 Delta_ex -0.6613443E-03 Delta_ec 0.1196647E-03 Delta_et -0.8356844E-03 Pxc 0.4307561E+01 Qxc -0.5526646E+01 3,+3 50 3 -1 -1.904020 0.924961 0.940849 Rho 0.8315175E-02 |GRAD(Rho)| 0.4772745E-15 GRAD(Rho)x 0.3821810E-15 GRAD(Rho)y -0.1806345E-15 GRAD(Rho)z -0.2215848E-15 Laplacian 0.3026037E-01 (-1/4)Del**2(Rho)) -0.7565093E-02 Diamond 0.1510568E-02 Metallicity 0.7771852E+00 Ellipticity 0.3469762E+00 Gb(Abramov) 0.6023309E-02 Vb(Abramov) -0.4481524E-02 Hb(Abramov) 0.1541785E-02 Ex_ueg -0.1244171E-02 Ec_ueg -0.2922543E-03 Delta_ex -0.1718064E-02 Delta_ec 0.1046012E-02 Delta_et -0.6578756E-02 Pxc 0.4257153E+01 Qxc -0.1642489E+01 3,-1 51 3 +1 -1.877340 0.561068 1.396168 Rho 0.7137832E-02 |GRAD(Rho)| 0.2074510E-16 GRAD(Rho)x 0.4549986E-17 GRAD(Rho)y -0.1604005E-16 GRAD(Rho)z -0.1234397E-16 Laplacian 0.2544560E-01 (-1/4)Del**2(Rho)) -0.6361399E-02 Diamond 0.6207560E-03 Metallicity 0.7166015E+00 Ellipticity -0.1733474E+01 Gb(Abramov) 0.5000697E-02 Vb(Abramov) -0.3639996E-02 Hb(Abramov) 0.1360702E-02 Ex_ueg -0.1015017E-02 Ec_ueg -0.2400416E-03 Delta_ex -0.1162690E-02 Delta_ec 0.4533145E-03 Delta_et -0.2871271E-02 Pxc 0.4228507E+01 Qxc -0.2564863E+01 3,+1 52 3 +1 0.098839 0.892630 -1.582007 Rho 0.8173850E-02 |GRAD(Rho)| 0.5127597E-15 GRAD(Rho)x 0.9767907E-16 GRAD(Rho)y -0.3365772E-15 GRAD(Rho)z 0.3742954E-15 Laplacian 0.3226945E-01 (-1/4)Del**2(Rho)) -0.8067363E-02 Diamond 0.7699484E-03 Metallicity 0.7082708E+00 Ellipticity -0.1364030E+01 Gb(Abramov) 0.6330555E-02 Vb(Abramov) -0.4593747E-02 Hb(Abramov) 0.1736808E-02 Ex_ueg -0.1216057E-02 Ec_ueg -0.2859535E-03 Delta_ex -0.1438105E-02 Delta_ec 0.4232181E-03 Delta_et -0.2880515E-02 Pxc 0.4252639E+01 Qxc -0.3398024E+01 3,+1 53 3 +1 -1.198258 1.231068 -2.643129 Rho 0.1447002E-01 |GRAD(Rho)| 0.2649584E-16 GRAD(Rho)x 0.1392487E-16 GRAD(Rho)y 0.2251297E-16 GRAD(Rho)z -0.1137367E-17 Laplacian 0.6754576E-01 (-1/4)Del**2(Rho)) -0.1688644E-01 Diamond 0.3511730E-02 Metallicity 0.8765905E+00 Ellipticity -0.1407083E+01 Gb(Abramov) 0.1372471E-01 Vb(Abramov) -0.1056298E-01 Hb(Abramov) 0.3161731E-02 Ex_ueg -0.2604217E-02 Ec_ueg -0.5747614E-03 Delta_ex -0.3492109E-02 Delta_ec 0.8814978E-03 Delta_et -0.6913117E-02 Pxc 0.4530953E+01 Qxc -0.3961563E+01 3,+1 54 3 -1 -2.054770 1.152414 2.260748 Rho 0.3631304E-01 |GRAD(Rho)| 0.1878567E-13 GRAD(Rho)x -0.5991441E-14 GRAD(Rho)y 0.1579478E-13 GRAD(Rho)z -0.8217621E-14 Laplacian 0.1109849E+00 (-1/4)Del**2(Rho)) -0.2774622E-01 Diamond 0.5406992E-01 Metallicity 0.2472410E+01 Ellipticity 0.1126231E-01 Gb(Abramov) 0.2993081E-01 Vb(Abramov) -0.3211541E-01 Hb(Abramov) -0.2184596E-02 Ex_ueg -0.8881136E-02 Ec_ueg -0.1673608E-02 Delta_ex -0.9601740E-02 Delta_ec 0.5394489E-02 Delta_et -0.5233474E-01 Pxc 0.5306582E+01 Qxc -0.1779917E+01 3,-1 55 3 -1 -1.564473 -0.120408 -1.599670 Rho 0.6656211E-02 |GRAD(Rho)| 0.5103347E-15 GRAD(Rho)x 0.1453755E-15 GRAD(Rho)y -0.4814473E-15 GRAD(Rho)z 0.8669489E-16 Laplacian 0.2352434E-01 (-1/4)Del**2(Rho)) -0.5881084E-02 Diamond 0.7587535E-03 Metallicity 0.6899340E+00 Ellipticity 0.3402561E+01 Gb(Abramov) 0.4596983E-02 Vb(Abramov) -0.3312881E-02 Hb(Abramov) 0.1284101E-02 Ex_ueg -0.9247432E-03 Ec_ueg -0.2188681E-03 Delta_ex -0.1207372E-02 Delta_ec 0.6870438E-03 Delta_et -0.4085761E-02 Pxc 0.4225117E+01 Qxc -0.1757344E+01 3,-1 56 3 +1 -1.244946 1.291078 2.548012 Rho 0.1335182E-01 |GRAD(Rho)| 0.1367970E-16 GRAD(Rho)x -0.1140103E-16 GRAD(Rho)y -0.7364341E-17 GRAD(Rho)z -0.1708037E-17 Laplacian 0.6241240E-01 (-1/4)Del**2(Rho)) -0.1560310E-01 Diamond 0.2896685E-02 Metallicity 0.8296787E+00 Ellipticity -0.1370128E+01 Gb(Abramov) 0.1255966E-01 Vb(Abramov) -0.9516220E-02 Hb(Abramov) 0.3043440E-02 Ex_ueg -0.2339407E-02 Ec_ueg -0.5223281E-03 Delta_ex -0.3156123E-02 Delta_ec 0.8106495E-03 Delta_et -0.6238060E-02 Pxc 0.4478808E+01 Qxc -0.3893326E+01 3,+1 57 3 -1 -1.968846 0.819801 -2.546739 Rho 0.4218844E-01 |GRAD(Rho)| 0.3609974E-16 GRAD(Rho)x 0.5163657E-17 GRAD(Rho)y -0.3296838E-16 GRAD(Rho)z -0.1377005E-16 Laplacian 0.1193933E+00 (-1/4)Del**2(Rho)) -0.2984833E-01 Diamond 0.7270315E-01 Metallicity 0.2950907E+01 Ellipticity 0.8953868E-02 Gb(Abramov) 0.3457883E-01 Vb(Abramov) -0.3930933E-01 Hb(Abramov) -0.4730499E-02 Ex_ueg -0.1084700E-01 Ec_ueg -0.1987862E-02 Delta_ex -0.1075163E-01 Delta_ec 0.5941859E-02 Delta_et -0.6026390E-01 Pxc 0.5456616E+01 Qxc -0.1809472E+01 3,-1 58 3 +1 -1.441933 1.062127 -0.910949 Rho 0.7459936E-02 |GRAD(Rho)| 0.2258316E-15 GRAD(Rho)x 0.2220109E-15 GRAD(Rho)y 0.8873550E-17 GRAD(Rho)z 0.4040203E-16 Laplacian 0.2705156E-01 (-1/4)Del**2(Rho)) -0.6762891E-02 Diamond 0.7738512E-03 Metallicity 0.7255143E+00 Ellipticity -0.2079294E+01 Gb(Abramov) 0.5326356E-02 Vb(Abramov) -0.3889822E-02 Hb(Abramov) 0.1436535E-02 Ex_ueg -0.1076544E-02 Ec_ueg -0.2542629E-03 Delta_ex -0.1288999E-02 Delta_ec 0.5531260E-03 Delta_et -0.3498538E-02 Pxc 0.4233980E+01 Qxc -0.2330390E+01 3,+1 59 3 +1 0.096873 0.898025 1.555575 Rho 0.8145357E-02 |GRAD(Rho)| 0.8076772E-14 GRAD(Rho)x -0.7903825E-14 GRAD(Rho)y 0.1549820E-14 GRAD(Rho)z 0.6015404E-15 Laplacian 0.3185310E-01 (-1/4)Del**2(Rho)) -0.7963275E-02 Diamond 0.7580819E-03 Metallicity 0.7133648E+00 Ellipticity -0.1373327E+01 Gb(Abramov) 0.6255637E-02 Vb(Abramov) -0.4547998E-02 Hb(Abramov) 0.1707638E-02 Ex_ueg -0.1210408E-02 Ec_ueg -0.2846843E-03 Delta_ex -0.1419100E-02 Delta_ec 0.4192079E-03 Delta_et -0.2849415E-02 Pxc 0.4251757E+01 Qxc -0.3385193E+01 3,+1 60 3 -1 -1.766060 -0.010521 1.559962 Rho 0.8222250E-02 |GRAD(Rho)| 0.4714148E-13 GRAD(Rho)x 0.3111441E-13 GRAD(Rho)y -0.6786345E-15 GRAD(Rho)z 0.3540837E-13 Laplacian 0.3040648E-01 (-1/4)Del**2(Rho)) -0.7601621E-02 Diamond 0.1503292E-02 Metallicity 0.7590984E+00 Ellipticity 0.3270538E+00 Gb(Abramov) 0.6029477E-02 Vb(Abramov) -0.4457333E-02 Hb(Abramov) 0.1572144E-02 Ex_ueg -0.1225667E-02 Ec_ueg -0.2881103E-03 Delta_ex -0.1726409E-02 Delta_ec 0.1058112E-02 Delta_et -0.6630076E-02 Pxc 0.4254159E+01 Qxc -0.1631594E+01 3,-1 61 3 -1 -1.946094 0.437975 2.657782 Rho 0.3173740E+00 |GRAD(Rho)| 0.7526493E-14 GRAD(Rho)x -0.4183425E-14 GRAD(Rho)y -0.4585901E-14 GRAD(Rho)z 0.4256356E-14 Laplacian -0.1601718E+01 (-1/4)Del**2(Rho)) 0.4004296E+00 Diamond 0.5574343E+01 Metallicity -0.6353005E+01 Ellipticity 0.4990424E-02 Gb(Abramov) 0.1570355E+00 Vb(Abramov) -0.7145006E+00 Hb(Abramov) -0.5574651E+00 Ex_ueg -0.1598871E+00 Ec_ueg -0.1995208E-01 Delta_ex 0.1588720E+00 Delta_ec 0.5609045E-01 Delta_et -0.1326215E+01 Pxc 0.8013557E+01 Qxc 0.2832426E+01 3,-1 62 3 +1 -1.187731 -0.132393 1.639011 Rho 0.7276881E-02 |GRAD(Rho)| 0.8408635E-12 GRAD(Rho)x -0.8006159E-12 GRAD(Rho)y 0.2569737E-12 GRAD(Rho)z -0.5491926E-14 Laplacian 0.2679633E-01 (-1/4)Del**2(Rho)) -0.6699084E-02 Diamond 0.6982732E-03 Metallicity 0.7027160E+00 Ellipticity -0.1776460E+01 Gb(Abramov) 0.5250648E-02 Vb(Abramov) -0.3802212E-02 Hb(Abramov) 0.1448436E-02 Ex_ueg -0.1041467E-02 Ec_ueg -0.2461748E-03 Delta_ex -0.1245372E-02 Delta_ec 0.5047619E-03 Delta_et -0.3195691E-02 Pxc 0.4230598E+01 Qxc -0.2467247E+01 3,+1 63 3 +1 -1.444629 1.094583 0.865286 Rho 0.7740172E-02 |GRAD(Rho)| 0.3819365E-13 GRAD(Rho)x -0.1476049E-13 GRAD(Rho)y -0.3276109E-13 GRAD(Rho)z -0.1294580E-13 Laplacian 0.2778876E-01 (-1/4)Del**2(Rho)) -0.6947190E-02 Diamond 0.8145067E-03 Metallicity 0.7510376E+00 Ellipticity -0.2027518E+01 Gb(Abramov) 0.5501060E-02 Vb(Abramov) -0.4054930E-02 Hb(Abramov) 0.1446130E-02 Ex_ueg -0.1130800E-02 Ec_ueg -0.2666748E-03 Delta_ex -0.1324520E-02 Delta_ec 0.5486266E-03 Delta_et -0.3517396E-02 Pxc 0.4240371E+01 Qxc -0.2414247E+01 3,+1 64 3 +1 -1.451692 -0.129727 -1.607147 Rho 0.6650579E-02 |GRAD(Rho)| 0.1119888E-15 GRAD(Rho)x 0.9635786E-16 GRAD(Rho)y 0.2485964E-17 GRAD(Rho)z 0.5701301E-16 Laplacian 0.2355598E-01 (-1/4)Del**2(Rho)) -0.5888996E-02 Diamond 0.6875397E-03 Metallicity 0.6880357E+00 Ellipticity -0.5230874E+01 Gb(Abramov) 0.4601304E-02 Vb(Abramov) -0.3313612E-02 Hb(Abramov) 0.1287692E-02 Ex_ueg -0.9237000E-03 Ec_ueg -0.2186211E-03 Delta_ex -0.1163482E-02 Delta_ec 0.6070830E-03 Delta_et -0.3643102E-02 Pxc 0.4225118E+01 Qxc -0.1916512E+01 3,+1 65 3 +1 1.339349 0.657976 -0.865890 Rho 0.6969630E-02 |GRAD(Rho)| 0.1243205E-16 GRAD(Rho)x -0.1240538E-16 GRAD(Rho)y -0.8117837E-18 GRAD(Rho)z 0.5827529E-19 Laplacian 0.2757886E-01 (-1/4)Del**2(Rho)) -0.6894715E-02 Diamond 0.5579822E-03 Metallicity 0.6354086E+00 Ellipticity -0.1359226E+01 Gb(Abramov) 0.5326637E-02 Vb(Abramov) -0.3758559E-02 Hb(Abramov) 0.1568078E-02 Ex_ueg -0.9832517E-03 Ec_ueg -0.2326345E-03 Delta_ex -0.1197353E-02 Delta_ec 0.3918548E-03 Delta_et -0.2533226E-02 Pxc 0.4226595E+01 Qxc -0.3055603E+01 3,+1 66 3 +1 1.377358 0.694998 0.868841 Rho 0.6513315E-02 |GRAD(Rho)| 0.3017942E-17 GRAD(Rho)x 0.7908757E-19 GRAD(Rho)y -0.1277204E-17 GRAD(Rho)z -0.2733216E-17 Laplacian 0.2547193E-01 (-1/4)Del**2(Rho)) -0.6367983E-02 Diamond 0.4681288E-03 Metallicity 0.6145464E+00 Ellipticity -0.1343039E+01 Gb(Abramov) 0.4897559E-02 Vb(Abramov) -0.3427135E-02 Hb(Abramov) 0.1470424E-02 Ex_ueg -0.8983684E-03 Ec_ueg -0.2126071E-03 Delta_ex -0.1086271E-02 Delta_ec 0.3596514E-03 Delta_et -0.2286154E-02 Pxc 0.4225486E+01 Qxc -0.3020345E+01 3,+1 67 3 +1 1.291552 -0.412346 -2.400710 Rho 0.2370377E-01 |GRAD(Rho)| 0.1371189E-16 GRAD(Rho)x -0.1981483E-17 GRAD(Rho)y -0.7700297E-17 GRAD(Rho)z 0.1117117E-16 Laplacian 0.9080062E-01 (-1/4)Del**2(Rho)) -0.2270015E-01 Diamond 0.1158661E-01 Metallicity 0.1484408E+01 Ellipticity -0.4991284E+01 Gb(Abramov) 0.2074949E-01 Vb(Abramov) -0.1879882E-01 Hb(Abramov) 0.1950668E-02 Ex_ueg -0.5028923E-02 Ec_ueg -0.1023675E-02 Delta_ex -0.5631834E-02 Delta_ec 0.1655313E-02 Delta_et -0.1439119E-01 Pxc 0.4912617E+01 Qxc -0.3402278E+01 3,+1 68 3 -1 -1.123247 -0.225809 0.008968 Rho 0.2091206E+00 |GRAD(Rho)| 0.5111680E-14 GRAD(Rho)x 0.5044576E-14 GRAD(Rho)y 0.8196568E-15 GRAD(Rho)z -0.9844556E-16 Laplacian 0.6090458E+00 (-1/4)Del**2(Rho)) -0.1522614E+00 Diamond 0.1760618E+01 Metallicity 0.8336002E+01 Ellipticity 0.1618058E-02 Gb(Abramov) 0.3130496E+00 Vb(Abramov) -0.4738377E+00 Hb(Abramov) -0.1607881E+00 Ex_ueg -0.9167426E-01 Ec_ueg -0.1233069E-01 Delta_ex -0.7059280E-01 Delta_ec 0.1326094E-01 Delta_et -0.1796598E+00 Pxc 0.7434644E+01 Qxc -0.5323365E+01 3,-1 69 3 -1 0.075034 -0.410377 -0.677864 Rho 0.1610283E+00 |GRAD(Rho)| 0.2328963E-14 GRAD(Rho)x -0.1103284E-14 GRAD(Rho)y 0.7251144E-15 GRAD(Rho)z 0.1918604E-14 Laplacian 0.3836985E+00 (-1/4)Del**2(Rho)) -0.9592464E-01 Diamond 0.8664007E+00 Metallicity 0.8559733E+01 Ellipticity 0.4513729E-02 Gb(Abramov) 0.2007980E+00 Vb(Abramov) -0.3056713E+00 Hb(Abramov) -0.1048733E+00 Ex_ueg -0.6470256E-01 Ec_ueg -0.9153184E-02 Delta_ex -0.4211227E-01 Delta_ec 0.9881833E-02 Delta_et -0.1336060E+00 Pxc 0.7068859E+01 Qxc -0.4261584E+01 3,-1 70 3 -1 -0.842438 -0.062750 3.372811 Rho 0.1410732E+00 |GRAD(Rho)| 0.4059906E-13 GRAD(Rho)x 0.3762135E-13 GRAD(Rho)y -0.1825191E-14 GRAD(Rho)z 0.1515208E-13 Laplacian 0.5364257E+00 (-1/4)Del**2(Rho)) -0.1341064E+00 Diamond 0.1026557E+01 Metallicity 0.4911089E+01 Ellipticity 0.1118594E+00 Gb(Abramov) 0.1991724E+00 Vb(Abramov) -0.2642384E+00 Hb(Abramov) -0.6506597E-01 Ex_ueg -0.5423893E-01 Ec_ueg -0.7874543E-02 Delta_ex -0.5692904E-01 Delta_ec 0.1414035E-01 Delta_et -0.1872572E+00 Pxc 0.6887883E+01 Qxc -0.4025998E+01 3,-1 71 3 +1 1.462470 -1.565074 -1.729143 Rho 0.2516234E-01 |GRAD(Rho)| 0.8093594E-16 GRAD(Rho)x 0.6574016E-16 GRAD(Rho)y -0.4274473E-16 GRAD(Rho)z -0.2004360E-16 Laplacian 0.9980938E-01 (-1/4)Del**2(Rho)) -0.2495234E-01 Diamond 0.1442221E-01 Metallicity 0.1491741E+01 Ellipticity -0.7305902E+01 Gb(Abramov) 0.2283864E-01 Vb(Abramov) -0.2072493E-01 Hb(Abramov) 0.2113709E-02 Ex_ueg -0.5445691E-02 Ec_ueg -0.1096891E-02 Delta_ex -0.6353088E-02 Delta_ec 0.1934260E-02 Delta_et -0.1704642E-01 Pxc 0.4964660E+01 Qxc -0.3284506E+01 3,+1 72 3 +3 -0.925380 0.748060 1.632592 Rho 0.4933355E-02 |GRAD(Rho)| 0.1667628E-14 GRAD(Rho)x -0.6735375E-15 GRAD(Rho)y 0.9616022E-15 GRAD(Rho)z 0.1184336E-14 Laplacian 0.1852363E-01 (-1/4)Del**2(Rho)) -0.4630908E-02 Diamond 0.1390882E-03 Metallicity 0.5318522E+00 Ellipticity -0.2452346E+00 Gb(Abramov) 0.3497765E-02 Vb(Abramov) -0.2364622E-02 Hb(Abramov) 0.1133143E-02 Ex_ueg -0.6202616E-03 Ec_ueg -0.1440459E-03 Delta_ex -0.6490263E-03 Delta_ec 0.1019991E-03 Delta_et -0.7465846E-03 Pxc 0.4305999E+01 Qxc -0.6363059E+01 3,+3 73 3 -1 -0.489721 -3.124761 -1.737779 Rho 0.2295786E+00 |GRAD(Rho)| 0.8560827E-11 GRAD(Rho)x -0.8440622E-11 GRAD(Rho)y -0.7262913E-12 GRAD(Rho)z 0.1231328E-11 Laplacian 0.8903702E+00 (-1/4)Del**2(Rho)) -0.2225925E+00 Diamond 0.2950828E+01 Metallicity 0.6661851E+01 Ellipticity 0.1071961E-01 Gb(Abramov) 0.3955414E+00 Vb(Abramov) -0.5684903E+00 Hb(Abramov) -0.1729489E+00 Ex_ueg -0.1038230E+00 Ec_ueg -0.1372169E-01 Delta_ex -0.1061439E+00 Delta_ec 0.1958062E-01 Delta_et -0.2693007E+00 Pxc 0.7566344E+01 Qxc -0.5420863E+01 3,-1 74 3 -1 1.075416 -0.097520 -3.536237 Rho 0.9569438E-01 |GRAD(Rho)| 0.9592244E-16 GRAD(Rho)x -0.8916208E-16 GRAD(Rho)y -0.9283481E-18 GRAD(Rho)z -0.3536066E-16 Laplacian 0.3849155E+00 (-1/4)Del**2(Rho)) -0.9622888E-01 Diamond 0.4507419E+00 Metallicity 0.3584197E+01 Ellipticity 0.5494207E-02 Gb(Abramov) 0.1216365E+00 Vb(Abramov) -0.1470440E+00 Hb(Abramov) -0.2540758E-01 Ex_ueg -0.3232712E-01 Ec_ueg -0.5064979E-02 Delta_ex -0.3707127E-01 Delta_ec 0.1073297E-01 Delta_et -0.1320316E+00 Pxc 0.6382478E+01 Qxc -0.3453961E+01 3,-1 75 3 +1 1.427640 1.642764 -1.978978 Rho 0.5793820E-02 |GRAD(Rho)| 0.6252392E-14 GRAD(Rho)x -0.9469231E-15 GRAD(Rho)y 0.5642961E-14 GRAD(Rho)z 0.2520463E-14 Laplacian 0.2411155E-01 (-1/4)Del**2(Rho)) -0.6027889E-02 Diamond 0.6854464E-03 Metallicity 0.5341496E+00 Ellipticity -0.3535359E+01 Gb(Abramov) 0.4555225E-02 Vb(Abramov) -0.3082561E-02 Hb(Abramov) 0.1472664E-02 Ex_ueg -0.7685492E-03 Ec_ueg -0.1812324E-03 Delta_ex -0.1233702E-02 Delta_ec 0.7591455E-03 Delta_et -0.4309090E-02 Pxc 0.4240682E+01 Qxc -0.1625119E+01 3,+1 76 3 +1 -0.419042 2.722118 0.133572 Rho 0.2768820E-01 |GRAD(Rho)| 0.9454619E-16 GRAD(Rho)x -0.4583617E-16 GRAD(Rho)y 0.8247949E-16 GRAD(Rho)z -0.5929775E-17 Laplacian 0.1094133E+00 (-1/4)Del**2(Rho)) -0.2735333E-01 Diamond 0.1646490E-01 Metallicity 0.1596005E+01 Ellipticity -0.4039799E+01 Gb(Abramov) 0.2551156E-01 Vb(Abramov) -0.2366979E-01 Hb(Abramov) 0.1841770E-02 Ex_ueg -0.6186494E-02 Ec_ueg -0.1224990E-02 Delta_ex -0.6993125E-02 Delta_ec 0.1855591E-02 Delta_et -0.1679059E-01 Pxc 0.5050239E+01 Qxc -0.3768678E+01 3,+1 77 3 -1 -0.801333 3.805566 2.247147 Rho 0.2187534E+00 |GRAD(Rho)| 0.8977504E-13 GRAD(Rho)x -0.5202574E-13 GRAD(Rho)y -0.6854781E-13 GRAD(Rho)z -0.2557492E-13 Laplacian 0.8073233E+00 (-1/4)Del**2(Rho)) -0.2018308E+00 Diamond 0.2556653E+01 Metallicity 0.6778868E+01 Ellipticity 0.1470760E-01 Gb(Abramov) 0.3625846E+00 Vb(Abramov) -0.5233384E+00 Hb(Abramov) -0.1607538E+00 Ex_ueg -0.9734753E-01 Ec_ueg -0.1298278E-01 Delta_ex -0.9523653E-01 Delta_ec 0.1834988E-01 Delta_et -0.2532068E+00 Pxc 0.7498204E+01 Qxc -0.5190036E+01 3,-1 78 3 +1 1.507049 1.263542 -2.222291 Rho 0.5742619E-02 |GRAD(Rho)| 0.2709730E-16 GRAD(Rho)x -0.2153381E-16 GRAD(Rho)y 0.2400753E-17 GRAD(Rho)z -0.1627252E-16 Laplacian 0.2384191E-01 (-1/4)Del**2(Rho)) -0.5960476E-02 Diamond 0.6314919E-03 Metallicity 0.5322581E+00 Ellipticity -0.2493932E+01 Gb(Abramov) 0.4502403E-02 Vb(Abramov) -0.3044329E-02 Hb(Abramov) 0.1458074E-02 Ex_ueg -0.7595070E-03 Ec_ueg -0.1790094E-03 Delta_ex -0.1188249E-02 Delta_ec 0.6979447E-03 Delta_et -0.3972120E-02 Pxc 0.4242833E+01 Qxc -0.1702498E+01 3,+1 79 3 -1 -0.957579 -0.111552 -3.394662 Rho 0.2135877E+00 |GRAD(Rho)| 0.3414932E-08 GRAD(Rho)x 0.3302578E-08 GRAD(Rho)y -0.4885401E-10 GRAD(Rho)z -0.8673837E-09 Laplacian 0.8251561E+00 (-1/4)Del**2(Rho)) -0.2062890E+00 Diamond 0.2518448E+01 Metallicity 0.6373395E+01 Ellipticity 0.1980564E-01 Gb(Abramov) 0.3566529E+00 Vb(Abramov) -0.5070168E+00 Hb(Abramov) -0.1503639E+00 Ex_ueg -0.9429458E-01 Ec_ueg -0.1263245E-01 Delta_ex -0.9661360E-01 Delta_ec 0.1865312E-01 Delta_et -0.2561441E+00 Pxc 0.7464474E+01 Qxc -0.5179488E+01 3,-1 80 3 -1 -0.713980 3.517088 -0.864768 Rho 0.1443535E+00 |GRAD(Rho)| 0.3944042E-15 GRAD(Rho)x 0.9889279E-16 GRAD(Rho)y -0.8302956E-16 GRAD(Rho)z -0.3726674E-15 Laplacian 0.5680312E+00 (-1/4)Del**2(Rho)) -0.1420078E+00 Diamond 0.1105005E+01 Metallicity 0.4818956E+01 Ellipticity 0.5098226E-01 Gb(Abramov) 0.2087268E+00 Vb(Abramov) -0.2754457E+00 Hb(Abramov) -0.6671896E-01 Ex_ueg -0.5592698E-01 Ec_ueg -0.8083040E-02 Delta_ex -0.6049015E-01 Delta_ec 0.1465694E-01 Delta_et -0.1942840E+00 Pxc 0.6919052E+01 Qxc -0.4127065E+01 3,-1 81 3 -1 -0.810584 3.490637 0.751793 Rho 0.1192967E+00 |GRAD(Rho)| 0.5664452E-12 GRAD(Rho)x 0.1572544E-13 GRAD(Rho)y -0.1812655E-12 GRAD(Rho)z 0.5364286E-12 Laplacian 0.4552667E+00 (-1/4)Del**2(Rho)) -0.1138167E+00 Diamond 0.7018447E+00 Metallicity 0.4375838E+01 Ellipticity 0.4009428E-01 Gb(Abramov) 0.1588850E+00 Vb(Abramov) -0.2039533E+00 Hb(Abramov) -0.4506832E-01 Ex_ueg -0.4337334E-01 Ec_ueg -0.6508129E-02 Delta_ex -0.4627106E-01 Delta_ec 0.1223462E-01 Delta_et -0.1571393E+00 Pxc 0.6664487E+01 Qxc -0.3781977E+01 3,-1 82 3 -1 -0.141363 2.306572 -0.873606 Rho 0.4822866E-01 |GRAD(Rho)| 0.2943440E-16 GRAD(Rho)x 0.8883258E-19 GRAD(Rho)y 0.2932216E-16 GRAD(Rho)z -0.2566510E-17 Laplacian 0.1845601E+00 (-1/4)Del**2(Rho)) -0.4614003E-01 Diamond 0.8732040E-01 Metallicity 0.2385891E+01 Ellipticity 0.1728073E-01 Gb(Abramov) 0.4910753E-01 Vb(Abramov) -0.5207504E-01 Hb(Abramov) -0.2967504E-02 Ex_ueg -0.1296558E-01 Ec_ueg -0.2317197E-02 Delta_ex -0.1497479E-01 Delta_ec 0.5358434E-02 Delta_et -0.5593632E-01 Pxc 0.5595372E+01 Qxc -0.2794620E+01 3,-1 83 3 -1 -0.610163 3.837520 -2.347730 Rho 0.2342982E+00 |GRAD(Rho)| 0.4931494E-12 GRAD(Rho)x 0.9141944E-13 GRAD(Rho)y -0.3780893E-12 GRAD(Rho)z 0.3031292E-12 Laplacian 0.8682268E+00 (-1/4)Del**2(Rho)) -0.2170567E+00 Diamond 0.2975531E+01 Metallicity 0.7067434E+01 Ellipticity 0.3230856E-02 Gb(Abramov) 0.4003768E+00 Vb(Abramov) -0.5836968E+00 Hb(Abramov) -0.1833201E+00 Ex_ueg -0.1066786E+00 Ec_ueg -0.1404586E-01 Delta_ex -0.1042021E+00 Delta_ec 0.1924215E-01 Delta_et -0.2659811E+00 Pxc 0.7595019E+01 Qxc -0.5415306E+01 3,-1 84 3 -1 -0.248657 2.288367 0.827419 Rho 0.4586982E-01 |GRAD(Rho)| 0.6951119E-13 GRAD(Rho)x 0.6657643E-13 GRAD(Rho)y 0.9009106E-14 GRAD(Rho)z -0.1783873E-13 Laplacian 0.1786556E+00 (-1/4)Del**2(Rho)) -0.4466391E-01 Diamond 0.8166375E-01 Metallicity 0.2267122E+01 Ellipticity 0.9604491E-02 Gb(Abramov) 0.4665236E-01 Vb(Abramov) -0.4864081E-01 Hb(Abramov) -0.1988452E-02 Ex_ueg -0.1212703E-01 Ec_ueg -0.2187878E-02 Delta_ex -0.1444468E-01 Delta_ec 0.5422846E-02 Delta_et -0.5592212E-01 Pxc 0.5542828E+01 Qxc -0.2663672E+01 3,-1 85 3 -1 -0.540298 -3.087315 1.733950 Rho 0.2318097E+00 |GRAD(Rho)| 0.7662511E-14 GRAD(Rho)x -0.2940248E-14 GRAD(Rho)y -0.3465896E-14 GRAD(Rho)z -0.6169002E-14 Laplacian 0.8978628E+00 (-1/4)Del**2(Rho)) -0.2244657E+00 Diamond 0.3012840E+01 Metallicity 0.6713606E+01 Ellipticity 0.1037079E-01 Gb(Abramov) 0.4008062E+00 Vb(Abramov) -0.5771466E+00 Hb(Abramov) -0.1763405E+00 Ex_ueg -0.1051705E+00 Ec_ueg -0.1387478E-01 Delta_ex -0.1073204E+00 Delta_ec 0.1971275E-01 Delta_et -0.2713153E+00 Pxc 0.7579975E+01 Qxc -0.5444214E+01 3,-1 86 3 +3 1.370991 -1.355229 -2.725542 Rho 0.1183063E-01 |GRAD(Rho)| 0.2338222E-16 GRAD(Rho)x 0.2039688E-17 GRAD(Rho)y 0.1654189E-16 GRAD(Rho)z 0.1639920E-16 Laplacian 0.5373457E-01 (-1/4)Del**2(Rho)) -0.1343364E-01 Diamond 0.1298401E-02 Metallicity 0.7877217E+00 Ellipticity -0.8010224E+00 Gb(Abramov) 0.1071942E-01 Vb(Abramov) -0.8005204E-02 Hb(Abramov) 0.2714219E-02 Ex_ueg -0.1990960E-02 Ec_ueg -0.4517562E-03 Delta_ex -0.2391922E-02 Delta_ec 0.2698868E-03 Delta_et -0.2347730E-02 Pxc 0.4407155E+01 Qxc -0.8862685E+01 3,+3 87 3 -1 0.346500 -0.397448 2.457544 Rho 0.4666418E-01 |GRAD(Rho)| 0.7320540E-09 GRAD(Rho)x -0.1113962E-09 GRAD(Rho)y 0.2000712E-09 GRAD(Rho)z 0.6953168E-09 Laplacian 0.1785125E+00 (-1/4)Del**2(Rho)) -0.4462813E-01 Diamond 0.8048265E-01 Metallicity 0.2334805E+01 Ellipticity 0.2317843E-01 Gb(Abramov) 0.4711841E-01 Vb(Abramov) -0.4960870E-01 Hb(Abramov) -0.2490287E-02 Ex_ueg -0.1240785E-01 Ec_ueg -0.2231329E-02 Delta_ex -0.1435129E-01 Delta_ec 0.5161162E-02 Delta_et -0.5340934E-01 Pxc 0.5560745E+01 Qxc -0.2780631E+01 3,-1 88 3 +1 1.640948 -0.722379 -0.042850 Rho 0.6049075E-02 |GRAD(Rho)| 0.8597353E-11 GRAD(Rho)x 0.4950012E-11 GRAD(Rho)y 0.1152790E-12 GRAD(Rho)z -0.7028411E-11 Laplacian 0.2344287E-01 (-1/4)Del**2(Rho)) -0.5860716E-02 Diamond 0.4018210E-03 Metallicity 0.5903154E+00 Ellipticity -0.1355582E+01 Gb(Abramov) 0.4483756E-02 Vb(Abramov) -0.3106796E-02 Hb(Abramov) 0.1376960E-02 Ex_ueg -0.8140237E-03 Ec_ueg -0.1923344E-03 Delta_ex -0.9904812E-03 Delta_ec 0.3465819E-03 Delta_et -0.2147055E-02 Pxc 0.4232335E+01 Qxc -0.2857856E+01 3,+1 89 3 -1 0.283097 -2.454600 2.760721 Rho 0.1210748E+00 |GRAD(Rho)| 0.5578084E-13 GRAD(Rho)x -0.7685706E-14 GRAD(Rho)y 0.5138641E-13 GRAD(Rho)z 0.2029456E-13 Laplacian 0.4639121E+00 (-1/4)Del**2(Rho)) -0.1159780E+00 Diamond 0.7364648E+00 Metallicity 0.4401496E+01 Ellipticity 0.2793578E-01 Gb(Abramov) 0.1623981E+00 Vb(Abramov) -0.2088183E+00 Hb(Abramov) -0.4642012E-01 Ex_ueg -0.4423744E-01 Ec_ueg -0.6618503E-02 Delta_ex -0.4742841E-01 Delta_ec 0.1262408E-01 Delta_et -0.1628937E+00 Pxc 0.6683904E+01 Qxc -0.3756978E+01 3,-1 90 3 -1 0.125575 0.894814 3.254610 Rho 0.1431707E+00 |GRAD(Rho)| 0.1897768E-12 GRAD(Rho)x -0.1593872E-12 GRAD(Rho)y -0.1029933E-12 GRAD(Rho)z 0.1826623E-14 Laplacian 0.5931148E+00 (-1/4)Del**2(Rho)) -0.1482787E+00 Diamond 0.1132090E+01 Metallicity 0.4552305E+01 Ellipticity 0.1441705E-01 Gb(Abramov) 0.2113541E+00 Vb(Abramov) -0.2744295E+00 Hb(Abramov) -0.6307542E-01 Ex_ueg -0.5531683E-01 Ec_ueg -0.8007785E-02 Delta_ex -0.6292478E-01 Delta_ec 0.1513885E-01 Delta_et -0.2000083E+00 Pxc 0.6907882E+01 Qxc -0.4156509E+01 3,-1 91 3 -1 0.239189 -0.432169 -2.473539 Rho 0.4889569E-01 |GRAD(Rho)| 0.1357635E-14 GRAD(Rho)x 0.2205698E-15 GRAD(Rho)y -0.1338646E-14 GRAD(Rho)z -0.5048401E-16 Laplacian 0.1875956E+00 (-1/4)Del**2(Rho)) -0.4689890E-01 Diamond 0.9102145E-01 Metallicity 0.2401641E+01 Ellipticity 0.1439969E-01 Gb(Abramov) 0.5003833E-01 Vb(Abramov) -0.5317775E-01 Hb(Abramov) -0.3139423E-02 Ex_ueg -0.1320523E-01 Ec_ueg -0.2353923E-02 Delta_ex -0.1530024E-01 Delta_ec 0.5492869E-02 Delta_et -0.5755789E-01 Pxc 0.5609880E+01 Qxc -0.2785473E+01 3,-1 92 3 -1 0.059929 0.853293 -3.276245 Rho 0.1277705E+00 |GRAD(Rho)| 0.2976511E-15 GRAD(Rho)x 0.3532805E-16 GRAD(Rho)y 0.2455853E-15 GRAD(Rho)z 0.1644260E-15 Laplacian 0.5246075E+00 (-1/4)Del**2(Rho)) -0.1311519E+00 Diamond 0.8839223E+00 Metallicity 0.4257583E+01 Ellipticity 0.1271464E-01 Gb(Abramov) 0.1804996E+00 Vb(Abramov) -0.2298473E+00 Hb(Abramov) -0.4934772E-01 Ex_ueg -0.4752907E-01 Ec_ueg -0.7036088E-02 Delta_ex -0.5427076E-01 Delta_ec 0.1399654E-01 Delta_et -0.1821098E+00 Pxc 0.6755043E+01 Qxc -0.3877442E+01 3,-1 93 3 -1 -0.096689 0.719137 -0.011495 Rho 0.1631544E+00 |GRAD(Rho)| 0.2111301E-12 GRAD(Rho)x -0.1032317E-12 GRAD(Rho)y -0.1841340E-12 GRAD(Rho)z 0.3719044E-14 Laplacian 0.3925945E+00 (-1/4)Del**2(Rho)) -0.9814863E-01 Diamond 0.8998983E+00 Metallicity 0.8550673E+01 Ellipticity 0.5746098E-02 Gb(Abramov) 0.2053052E+00 Vb(Abramov) -0.3124618E+00 Hb(Abramov) -0.1071566E+00 Ex_ueg -0.6584409E-01 Ec_ueg -0.9290836E-02 Delta_ex -0.4322238E-01 Delta_ec 0.1006722E-01 Delta_et -0.1363253E+00 Pxc 0.7086994E+01 Qxc -0.4293378E+01 3,-1 94 3 -1 0.114083 -1.143401 -3.586561 Rho 0.1450823E+00 |GRAD(Rho)| 0.9744479E-13 GRAD(Rho)x -0.4162923E-14 GRAD(Rho)y 0.9670539E-13 GRAD(Rho)z -0.1123501E-13 Laplacian 0.5628141E+00 (-1/4)Del**2(Rho)) -0.1407035E+00 Diamond 0.1103352E+01 Metallicity 0.4904620E+01 Ellipticity 0.5329762E-01 Gb(Abramov) 0.2088186E+00 Vb(Abramov) -0.2769336E+00 Hb(Abramov) -0.6811504E-01 Ex_ueg -0.5630377E-01 Ec_ueg -0.8129454E-02 Delta_ex -0.6002765E-01 Delta_ec 0.1453886E-01 Delta_et -0.1929366E+00 Pxc 0.6925898E+01 Qxc -0.4128773E+01 3,-1 95 3 +1 0.331385 -1.368933 -2.470995 Rho 0.2999722E-01 |GRAD(Rho)| 0.7419333E-14 GRAD(Rho)x -0.1557818E-14 GRAD(Rho)y -0.4083837E-14 GRAD(Rho)z -0.5995163E-14 Laplacian 0.1212450E+00 (-1/4)Del**2(Rho)) -0.3031124E-01 Diamond 0.2145228E-01 Metallicity 0.1645955E+01 Ellipticity -0.7490947E+01 Gb(Abramov) 0.2852265E-01 Vb(Abramov) -0.2673406E-01 Hb(Abramov) 0.1788593E-02 Ex_ueg -0.6883771E-02 Ec_ueg -0.1343464E-02 Delta_ex -0.8010236E-02 Delta_ec 0.2220119E-02 Delta_et -0.2046181E-01 Pxc 0.5123898E+01 Qxc -0.3608022E+01 3,+1 96 3 +1 0.487043 -1.714988 -0.018659 Rho 0.9439460E-02 |GRAD(Rho)| 0.1069414E-16 GRAD(Rho)x 0.1709286E-19 GRAD(Rho)y 0.9703272E-17 GRAD(Rho)z -0.4495655E-17 Laplacian 0.3789370E-01 (-1/4)Del**2(Rho)) -0.9473426E-02 Diamond 0.1097177E-02 Metallicity 0.7666987E+00 Ellipticity -0.1396382E+01 Gb(Abramov) 0.7526161E-02 Vb(Abramov) -0.5578896E-02 Hb(Abramov) 0.1947265E-02 Ex_ueg -0.1473379E-02 Ec_ueg -0.3426946E-03 Delta_ex -0.1751018E-02 Delta_ec 0.4946784E-03 Delta_et -0.3493155E-02 Pxc 0.4299395E+01 Qxc -0.3539710E+01 3,+1 97 3 +1 0.342402 -1.337218 2.453220 Rho 0.2945805E-01 |GRAD(Rho)| 0.2406056E-12 GRAD(Rho)x 0.4627829E-14 GRAD(Rho)y -0.2302161E-12 GRAD(Rho)z -0.6978674E-13 Laplacian 0.1189875E+00 (-1/4)Del**2(Rho)) -0.2974688E-01 Diamond 0.2059375E-01 Metallicity 0.1627240E+01 Ellipticity -0.6977632E+01 Gb(Abramov) 0.2789880E-01 Vb(Abramov) -0.2605073E-01 Hb(Abramov) 0.1848073E-02 Ex_ueg -0.6719294E-02 Ec_ueg -0.1315687E-02 Delta_ex -0.7828351E-02 Delta_ec 0.2188109E-02 Delta_et -0.2007681E-01 Pxc 0.5107063E+01 Qxc -0.3577678E+01 3,+1 98 3 -1 0.165833 -1.079062 3.585292 Rho 0.1509693E+00 |GRAD(Rho)| 0.5157048E-13 GRAD(Rho)x 0.4389448E-13 GRAD(Rho)y -0.2541714E-13 GRAD(Rho)z 0.9314406E-14 Laplacian 0.5944321E+00 (-1/4)Del**2(Rho)) -0.1486080E+00 Diamond 0.1216329E+01 Metallicity 0.4962023E+01 Ellipticity 0.5945341E-01 Gb(Abramov) 0.2219714E+00 Vb(Abramov) -0.2953348E+00 Hb(Abramov) -0.7336340E-01 Ex_ueg -0.5937041E-01 Ec_ueg -0.8505594E-02 Delta_ex -0.6396088E-01 Delta_ec 0.1509952E-01 Delta_et -0.2012807E+00 Pxc 0.6980160E+01 Qxc -0.4235954E+01 3,-1 99 3 -1 -0.138837 2.362217 -2.402520 Rho 0.1467637E+00 |GRAD(Rho)| 0.1402820E-14 GRAD(Rho)x -0.3973533E-15 GRAD(Rho)y 0.1110846E-14 GRAD(Rho)z 0.7589686E-15 Laplacian 0.6108588E+00 (-1/4)Del**2(Rho)) -0.1527147E+00 Diamond 0.1202904E+01 Metallicity 0.4606490E+01 Ellipticity 0.1685939E-01 Gb(Abramov) 0.2190563E+00 Vb(Abramov) -0.2853978E+00 Hb(Abramov) -0.6634155E-01 Ex_ueg -0.5717550E-01 Ec_ueg -0.8236668E-02 Delta_ex -0.6521952E-01 Delta_ec 0.1552804E-01 Delta_et -0.2059519E+00 Pxc 0.6941581E+01 Qxc -0.4200112E+01 3,-1 100 3 +1 1.441889 -1.612115 1.739897 Rho 0.2514150E-01 |GRAD(Rho)| 0.2107080E-15 GRAD(Rho)x 0.9082852E-17 GRAD(Rho)y -0.2014496E-15 GRAD(Rho)z 0.6110175E-16 Laplacian 0.9904078E-01 (-1/4)Del**2(Rho)) -0.2476020E-01 Diamond 0.1395688E-01 Metallicity 0.1501244E+01 Ellipticity -0.5728740E+01 Gb(Abramov) 0.2270198E-01 Vb(Abramov) -0.2064376E-01 Hb(Abramov) 0.2058217E-02 Ex_ueg -0.5439681E-02 Ec_ueg -0.1095841E-02 Delta_ex -0.6266366E-02 Delta_ec 0.1854316E-02 Delta_et -0.1635141E-01 Pxc 0.4963931E+01 Qxc -0.3379341E+01 3,+1 101 3 -1 -0.253216 2.358392 2.341222 Rho 0.1212468E+00 |GRAD(Rho)| 0.1056390E-15 GRAD(Rho)x -0.3976989E-16 GRAD(Rho)y 0.8579427E-16 GRAD(Rho)z 0.4708826E-16 Laplacian 0.4921649E+00 (-1/4)Del**2(Rho)) -0.1230412E+00 Diamond 0.7687666E+00 Metallicity 0.4158658E+01 Ellipticity 0.1046882E-01 Gb(Abramov) 0.1673086E+00 Vb(Abramov) -0.2115759E+00 Hb(Abramov) -0.4426731E-01 Ex_ueg -0.4432128E-01 Ec_ueg -0.6629195E-02 Delta_ex -0.5015016E-01 Delta_ec 0.1306052E-01 Delta_et -0.1680288E+00 Pxc 0.6685770E+01 Qxc -0.3839828E+01 3,-1 102 3 +1 0.926237 2.480094 -0.570975 Rho 0.2525008E-01 |GRAD(Rho)| 0.3604357E-16 GRAD(Rho)x -0.3098803E-16 GRAD(Rho)y -0.5206657E-17 GRAD(Rho)z 0.1765706E-16 Laplacian 0.9593347E-01 (-1/4)Del**2(Rho)) -0.2398337E-01 Diamond 0.1212695E-01 Metallicity 0.1561041E+01 Ellipticity -0.3275191E+01 Gb(Abramov) 0.2222875E-01 Vb(Abramov) -0.2047413E-01 Hb(Abramov) 0.1754621E-02 Ex_ueg -0.5471025E-02 Ec_ueg -0.1101313E-02 Delta_ex -0.5918855E-02 Delta_ec 0.1514410E-02 Delta_et -0.1342606E-01 Pxc 0.4967727E+01 Qxc -0.3908358E+01 3,+1 103 3 +1 0.520843 3.390562 -0.014597 Rho 0.1191127E-01 |GRAD(Rho)| 0.6005302E-15 GRAD(Rho)x 0.4452231E-15 GRAD(Rho)y -0.4025587E-15 GRAD(Rho)z 0.1895796E-16 Laplacian 0.5499823E-01 (-1/4)Del**2(Rho)) -0.1374956E-01 Diamond 0.1682236E-02 Metallicity 0.7783847E+00 Ellipticity -0.1096127E+01 Gb(Abramov) 0.1095011E-01 Vb(Abramov) -0.8150667E-02 Hb(Abramov) 0.2799445E-02 Ex_ueg -0.2009072E-02 Ec_ueg -0.4554742E-03 Delta_ex -0.2552417E-02 Delta_ec 0.4537378E-03 Delta_et -0.3596801E-02 Pxc 0.4410946E+01 Qxc -0.5625313E+01 3,+1 104 3 -1 0.689300 -3.900204 -2.215064 Rho 0.2271364E+00 |GRAD(Rho)| 0.4650637E-15 GRAD(Rho)x -0.5692061E-16 GRAD(Rho)y -0.1320558E-15 GRAD(Rho)z -0.4422732E-15 Laplacian 0.8471750E+00 (-1/4)Del**2(Rho)) -0.2117937E+00 Diamond 0.2799030E+01 Metallicity 0.6877828E+01 Ellipticity 0.2050218E-01 Gb(Abramov) 0.3839760E+00 Vb(Abramov) -0.5561582E+00 Hb(Abramov) -0.1721822E+00 Ex_ueg -0.1023530E+00 Ec_ueg -0.1355442E-01 Delta_ex -0.1008697E+00 Delta_ec 0.1896783E-01 Delta_et -0.2619294E+00 Pxc 0.7551264E+01 Qxc -0.5317936E+01 3,-1 105 3 -1 0.616577 -3.873557 2.236274 Rho 0.2270510E+00 |GRAD(Rho)| 0.1320202E-11 GRAD(Rho)x -0.3004613E-12 GRAD(Rho)y 0.1181486E-11 GRAD(Rho)z -0.5067018E-12 Laplacian 0.8465326E+00 (-1/4)Del**2(Rho)) -0.2116332E+00 Diamond 0.2795616E+01 Metallicity 0.6878736E+01 Ellipticity 0.2065570E-01 Gb(Abramov) 0.3837169E+00 Vb(Abramov) -0.5558006E+00 Hb(Abramov) -0.1720837E+00 Ex_ueg -0.1023018E+00 Ec_ueg -0.1354858E-01 Delta_ex -0.1007832E+00 Delta_ec 0.1895522E-01 Delta_et -0.2617494E+00 Pxc 0.7550734E+01 Qxc -0.5316911E+01 3,-1 106 3 +3 1.739181 0.236100 0.018794 Rho 0.3778865E-02 |GRAD(Rho)| 0.1074253E-14 GRAD(Rho)x 0.6374577E-15 GRAD(Rho)y -0.4002280E-15 GRAD(Rho)z -0.7664760E-15 Laplacian 0.1483904E-01 (-1/4)Del**2(Rho)) -0.3709761E-02 Diamond 0.8110896E-04 Metallicity 0.4257384E+00 Ellipticity -0.2720129E+00 Gb(Abramov) 0.2736405E-02 Vb(Abramov) -0.1763049E-02 Hb(Abramov) 0.9733556E-03 Ex_ueg -0.4347105E-03 Ec_ueg -0.9474690E-04 Delta_ex -0.4887451E-03 Delta_ec 0.9046691E-04 Delta_et -0.6071962E-03 Pxc 0.4588124E+01 Qxc -0.5402474E+01 3,+3 107 3 -1 0.095276 -0.407270 0.652620 Rho 0.1594923E+00 |GRAD(Rho)| 0.1374738E-13 GRAD(Rho)x -0.8753415E-14 GRAD(Rho)y -0.2544839E-14 GRAD(Rho)z -0.1029038E-13 Laplacian 0.3771444E+00 (-1/4)Del**2(Rho)) -0.9428610E-01 Diamond 0.8414263E+00 Metallicity 0.8570475E+01 Ellipticity 0.6022442E-02 Gb(Abramov) 0.1975368E+00 Vb(Abramov) -0.3007876E+00 Hb(Abramov) -0.1032507E+00 Ex_ueg -0.6388093E-01 Ec_ueg -0.9053899E-02 Delta_ex -0.4129137E-01 Delta_ec 0.9729276E-02 Delta_et -0.1313549E+00 Pxc 0.7055627E+01 Qxc -0.4244033E+01 3,-1 108 3 +1 1.447288 -1.419270 2.862021 Rho 0.1204018E-01 |GRAD(Rho)| 0.2193487E-16 GRAD(Rho)x -0.1655161E-16 GRAD(Rho)y 0.1378110E-16 GRAD(Rho)z 0.4155019E-17 Laplacian 0.5581331E-01 (-1/4)Del**2(Rho)) -0.1395333E-01 Diamond 0.1798996E-02 Metallicity 0.7809034E+00 Ellipticity -0.1129966E+01 Gb(Abramov) 0.1111825E-01 Vb(Abramov) -0.8283176E-02 Hb(Abramov) 0.2835076E-02 Ex_ueg -0.2038118E-02 Ec_ueg -0.4614244E-03 Delta_ex -0.2617083E-02 Delta_ec 0.4944807E-03 Delta_et -0.3887229E-02 Pxc 0.4417013E+01 Qxc -0.5292588E+01 3,+1 109 3 -1 -0.036527 0.007375 -4.580000 Rho 0.2296470E+00 |GRAD(Rho)| 0.1558127E-15 GRAD(Rho)x -0.1481461E-17 GRAD(Rho)y 0.9137114E-16 GRAD(Rho)z -0.1262011E-15 Laplacian 0.8535927E+00 (-1/4)Del**2(Rho)) -0.2133982E+00 Diamond 0.2857541E+01 Metallicity 0.6952333E+01 Ellipticity 0.1397588E-01 Gb(Abramov) 0.3895347E+00 Vb(Abramov) -0.5656711E+00 Hb(Abramov) -0.1761365E+00 Ex_ueg -0.1038643E+00 Ec_ueg -0.1372638E-01 Delta_ex -0.1019232E+00 Delta_ec 0.1904822E-01 Delta_et -0.2631623E+00 Pxc 0.7566764E+01 Qxc -0.5350796E+01 3,-1 110 3 +3 1.087520 1.047998 -1.605703 Rho 0.4432899E-02 |GRAD(Rho)| 0.1978268E-15 GRAD(Rho)x -0.9037809E-16 GRAD(Rho)y 0.5549381E-16 GRAD(Rho)z 0.1669960E-15 Laplacian 0.1812167E-01 (-1/4)Del**2(Rho)) -0.4530416E-02 Diamond 0.1340664E-03 Metallicity 0.4548778E+00 Ellipticity -0.2609715E+00 Gb(Abramov) 0.3363742E-02 Vb(Abramov) -0.2197067E-02 Hb(Abramov) 0.1166674E-02 Ex_ueg -0.5378182E-03 Ec_ueg -0.1225903E-03 Delta_ex -0.6347415E-03 Delta_ec 0.1318675E-03 Delta_et -0.8701239E-03 Pxc 0.4387117E+01 Qxc -0.4813480E+01 3,+3 111 3 +1 0.586300 2.555603 0.743170 Rho 0.2509731E-01 |GRAD(Rho)| 0.5219789E-16 GRAD(Rho)x 0.1717232E-16 GRAD(Rho)y 0.3366474E-16 GRAD(Rho)z 0.3600579E-16 Laplacian 0.9725245E-01 (-1/4)Del**2(Rho)) -0.2431311E-01 Diamond 0.1268890E-01 Metallicity 0.1524372E+01 Ellipticity -0.3584051E+01 Gb(Abramov) 0.2238578E-01 Vb(Abramov) -0.2045845E-01 Hb(Abramov) 0.1927331E-02 Ex_ueg -0.5426934E-02 Ec_ueg -0.1093615E-02 Delta_ex -0.6044176E-02 Delta_ec 0.1631233E-02 Delta_et -0.1441725E-01 Pxc 0.4962382E+01 Qxc -0.3705280E+01 3,+1 112 3 +1 1.512952 1.320731 2.215347 Rho 0.5771204E-02 |GRAD(Rho)| 0.1655269E-16 GRAD(Rho)x 0.1388152E-16 GRAD(Rho)y -0.8899313E-17 GRAD(Rho)z -0.1448245E-17 Laplacian 0.2388102E-01 (-1/4)Del**2(Rho)) -0.5970256E-02 Diamond 0.6841824E-03 Metallicity 0.5358020E+00 Ellipticity -0.3765255E+01 Gb(Abramov) 0.4513316E-02 Vb(Abramov) -0.3056377E-02 Hb(Abramov) 0.1456939E-02 Ex_ueg -0.7645519E-03 Ec_ueg -0.1802504E-03 Delta_ex -0.1227754E-02 Delta_ec 0.7640094E-03 Delta_et -0.4326812E-02 Pxc 0.4241611E+01 Qxc -0.1606988E+01 3,+1 113 3 -1 0.101535 0.077462 4.574295 Rho 0.2352383E+00 |GRAD(Rho)| 0.9424700E-15 GRAD(Rho)x -0.8859287E-16 GRAD(Rho)y 0.1646361E-15 GRAD(Rho)z 0.9237403E-15 Laplacian 0.8693459E+00 (-1/4)Del**2(Rho)) -0.2173365E+00 Diamond 0.2994641E+01 Metallicity 0.7105599E+01 Ellipticity 0.3210396E-02 Gb(Abramov) 0.4022753E+00 Vb(Abramov) -0.5872141E+00 Hb(Abramov) -0.1849388E+00 Ex_ueg -0.1072496E+00 Ec_ueg -0.1411057E-01 Delta_ex -0.1044502E+00 Delta_ec 0.1925290E-01 Delta_et -0.2662078E+00 Pxc 0.7600658E+01 Qxc -0.5425169E+01 3,-1 114 3 -1 0.466364 -1.848305 1.589576 Rho 0.5558345E-01 |GRAD(Rho)| 0.1778002E-15 GRAD(Rho)x -0.8350051E-17 GRAD(Rho)y -0.1764895E-15 GRAD(Rho)z 0.1986546E-16 Laplacian 0.2112322E+00 (-1/4)Del**2(Rho)) -0.5280805E-01 Diamond 0.1227220E+00 Metallicity 0.2640962E+01 Ellipticity 0.1855069E-01 Gb(Abramov) 0.5844938E-01 Vb(Abramov) -0.6409070E-01 Hb(Abramov) -0.5641326E-02 Ex_ueg -0.1566675E-01 Ec_ueg -0.2725754E-02 Delta_ex -0.1782369E-01 Delta_ec 0.6226556E-02 Delta_et -0.6745821E-01 Pxc 0.5747678E+01 Qxc -0.2862527E+01 3,-1 115 3 -1 0.335558 -2.499215 -2.763416 Rho 0.1280156E+00 |GRAD(Rho)| 0.5792351E-14 GRAD(Rho)x -0.5569055E-14 GRAD(Rho)y -0.4028692E-15 GRAD(Rho)z -0.1540990E-14 Laplacian 0.4907040E+00 (-1/4)Del**2(Rho)) -0.1226760E+00 Diamond 0.8323397E+00 Metallicity 0.4566304E+01 Ellipticity 0.3439295E-01 Gb(Abramov) 0.1751467E+00 Vb(Abramov) -0.2276173E+00 Hb(Abramov) -0.5247066E-01 Ex_ueg -0.4765064E-01 Ec_ueg -0.7051426E-02 Delta_ex -0.5083152E-01 Delta_ec 0.1316595E-01 Delta_et -0.1715016E+00 Pxc 0.6757589E+01 Qxc -0.3860832E+01 3,-1 116 3 -1 0.470258 -1.863248 -1.606024 Rho 0.5461202E-01 |GRAD(Rho)| 0.2800773E-16 GRAD(Rho)x 0.2637052E-17 GRAD(Rho)y -0.2161882E-16 GRAD(Rho)z -0.1760981E-16 Laplacian 0.2093584E+00 (-1/4)Del**2(Rho)) -0.5233961E-01 Diamond 0.1188556E+00 Metallicity 0.2587437E+01 Ellipticity 0.1694786E-01 Gb(Abramov) 0.5746398E-01 Vb(Abramov) -0.6258835E-01 Hb(Abramov) -0.5124370E-02 Ex_ueg -0.1530275E-01 Ec_ueg -0.2671352E-02 Delta_ex -0.1759059E-01 Delta_ec 0.6179242E-02 Delta_et -0.6664655E-01 Pxc 0.5728466E+01 Qxc -0.2846722E+01 3,-1 117 3 +3 1.105967 1.077933 1.576883 Rho 0.4289699E-02 |GRAD(Rho)| 0.5231564E-16 GRAD(Rho)x -0.1171786E-16 GRAD(Rho)y 0.2744048E-16 GRAD(Rho)z -0.4297252E-16 Laplacian 0.1746924E-01 (-1/4)Del**2(Rho)) -0.4367310E-02 Diamond 0.1221097E-03 Metallicity 0.4467356E+00 Ellipticity -0.2373165E+00 Gb(Abramov) 0.3236712E-02 Vb(Abramov) -0.2106114E-02 Hb(Abramov) 0.1130598E-02 Ex_ueg -0.5147790E-03 Ec_ueg -0.1164749E-03 Delta_ex -0.6049469E-03 Delta_ec 0.1240962E-03 Delta_et -0.8182361E-03 Pxc 0.4419656E+01 Qxc -0.4874821E+01 3,+3 118 3 +1 1.427182 1.715962 1.973399 Rho 0.5696452E-02 |GRAD(Rho)| 0.7380002E-17 GRAD(Rho)x -0.5826005E-17 GRAD(Rho)y 0.4499254E-17 GRAD(Rho)z -0.5280249E-18 Laplacian 0.2373995E-01 (-1/4)Del**2(Rho)) -0.5934988E-02 Diamond 0.6156654E-03 Metallicity 0.5274007E+00 Ellipticity -0.2350346E+01 Gb(Abramov) 0.4478345E-02 Vb(Abramov) -0.3021702E-02 Hb(Abramov) 0.1456643E-02 Ex_ueg -0.7513766E-03 Ec_ueg -0.1770060E-03 Delta_ex -0.1176303E-02 Delta_ec 0.6861403E-03 Delta_et -0.3899357E-02 Pxc 0.4244921E+01 Qxc -0.1714377E+01 3,+1 119 3 -1 1.483887 1.450627 2.132977 Rho 0.5785202E-02 |GRAD(Rho)| 0.8850412E-17 GRAD(Rho)x 0.8390910E-17 GRAD(Rho)y -0.8393092E-18 GRAD(Rho)z -0.2686631E-17 Laplacian 0.2340996E-01 (-1/4)Del**2(Rho)) -0.5852491E-02 Diamond 0.7710849E-03 Metallicity 0.5487947E+00 Ellipticity 0.3437342E+01 Gb(Abramov) 0.4436964E-02 Vb(Abramov) -0.3021436E-02 Hb(Abramov) 0.1415528E-02 Ex_ueg -0.7670254E-03 Ec_ueg -0.1808582E-03 Delta_ex -0.1279183E-02 Delta_ec 0.8829792E-03 Delta_et -0.4951874E-02 Pxc 0.4241032E+01 Qxc -0.1448713E+01 3,-1 120 3 +1 1.479780 -0.450253 2.260467 Rho 0.2382686E-01 |GRAD(Rho)| 0.5083860E-16 GRAD(Rho)x 0.4912134E-16 GRAD(Rho)y -0.9280983E-17 GRAD(Rho)z -0.9247707E-17 Laplacian 0.8869543E-01 (-1/4)Del**2(Rho)) -0.2217386E-01 Diamond 0.1019980E-01 Metallicity 0.1532816E+01 Ellipticity -0.3067818E+01 Gb(Abramov) 0.2044731E-01 Vb(Abramov) -0.1872076E-01 Hb(Abramov) 0.1726546E-02 Ex_ueg -0.5063772E-02 Ec_ueg -0.1029832E-02 Delta_ex -0.5369928E-02 Delta_ec 0.1369053E-02 Delta_et -0.1197917E-01 Pxc 0.4917087E+01 Qxc -0.3922366E+01 3,+1 121 3 -1 1.177042 -0.065129 3.524171 Rho 0.1473791E+00 |GRAD(Rho)| 0.5894212E-13 GRAD(Rho)x 0.2674900E-13 GRAD(Rho)y -0.7448623E-14 GRAD(Rho)z -0.5199213E-13 Laplacian 0.5944547E+00 (-1/4)Del**2(Rho)) -0.1486137E+00 Diamond 0.1177534E+01 Metallicity 0.4766735E+01 Ellipticity 0.4800472E-01 Gb(Abramov) 0.2171428E+00 Vb(Abramov) -0.2856719E+00 Hb(Abramov) -0.6852910E-01 Ex_ueg -0.5749539E-01 Ec_ueg -0.8275951E-02 Delta_ex -0.6354385E-01 Delta_ec 0.1511426E-01 Delta_et -0.2006251E+00 Pxc 0.6947284E+01 Qxc -0.4204231E+01 3,-1 122 3 +1 1.455244 -1.423363 -2.865650 Rho 0.1189641E-01 |GRAD(Rho)| 0.5485860E-17 GRAD(Rho)x -0.2124830E-18 GRAD(Rho)y -0.5461821E-17 GRAD(Rho)z 0.4669389E-18 Laplacian 0.5459640E-01 (-1/4)Del**2(Rho)) -0.1364910E-01 Diamond 0.1736040E-02 Metallicity 0.7824845E+00 Ellipticity -0.1132862E+01 Gb(Abramov) 0.1087943E-01 Vb(Abramov) -0.8109769E-02 Hb(Abramov) 0.2769665E-02 Ex_ueg -0.2005732E-02 Ec_ueg -0.4547890E-03 Delta_ex -0.2553051E-02 Delta_ec 0.4864228E-03 Delta_et -0.3811199E-02 Pxc 0.4410248E+01 Qxc -0.5248625E+01 3,+1 123 3 +3 1.640358 -1.586145 -0.048503 Rho 0.3996921E-02 |GRAD(Rho)| 0.9647949E-17 GRAD(Rho)x -0.7308689E-17 GRAD(Rho)y 0.5654430E-18 GRAD(Rho)z -0.6272661E-17 Laplacian 0.1642767E-01 (-1/4)Del**2(Rho)) -0.4106918E-02 Diamond 0.1219797E-03 Metallicity 0.4222598E+00 Ellipticity -0.1760658E+00 Gb(Abramov) 0.3026977E-02 Vb(Abramov) -0.1947035E-02 Hb(Abramov) 0.1079942E-02 Ex_ueg -0.4684744E-03 Ec_ueg -0.1040050E-03 Delta_ex -0.5805534E-03 Delta_ec 0.1561783E-03 Delta_et -0.9416169E-03 Pxc 0.4504347E+01 Qxc -0.3717247E+01 3,+3 124 3 +3 1.368972 -1.353630 2.712471 Rho 0.1196868E-01 |GRAD(Rho)| 0.1236213E-16 GRAD(Rho)x -0.1127203E-16 GRAD(Rho)y -0.1029649E-17 GRAD(Rho)z 0.4970252E-17 Laplacian 0.5471550E-01 (-1/4)Del**2(Rho)) -0.1367887E-01 Diamond 0.1330949E-02 Metallicity 0.7887026E+00 Ellipticity -0.8022758E+00 Gb(Abramov) 0.1091734E-01 Vb(Abramov) -0.8155813E-02 Hb(Abramov) 0.2761531E-02 Ex_ueg -0.2021995E-02 Ec_ueg -0.4581234E-03 Delta_ex -0.2440104E-02 Delta_ec 0.2682259E-03 Delta_et -0.2350084E-02 Pxc 0.4413647E+01 Qxc -0.9097197E+01 3,+3 125 3 -1 1.271995 2.052037 0.031964 Rho 0.3844841E-01 |GRAD(Rho)| 0.1972818E-14 GRAD(Rho)x 0.1803061E-14 GRAD(Rho)y 0.7967837E-15 GRAD(Rho)z 0.7820968E-16 Laplacian 0.1454162E+00 (-1/4)Del**2(Rho)) -0.3635405E-01 Diamond 0.4999096E-01 Metallicity 0.2075539E+01 Ellipticity 0.4429672E-01 Gb(Abramov) 0.3681175E-01 Vb(Abramov) -0.3726944E-01 Hb(Abramov) -0.4576936E-03 Ex_ueg -0.9584208E-02 Ec_ueg -0.1787077E-02 Delta_ex -0.1111362E-01 Delta_ec 0.4167662E-02 Delta_et -0.4096348E-01 Pxc 0.5363065E+01 Qxc -0.2666631E+01 3,-1 126 3 -1 1.474209 -2.666837 2.017690 Rho 0.7862501E-01 |GRAD(Rho)| 0.2880055E-12 GRAD(Rho)x 0.1332237E-12 GRAD(Rho)y 0.2547710E-12 GRAD(Rho)z -0.1704022E-13 Laplacian 0.3158969E+00 (-1/4)Del**2(Rho)) -0.7897421E-01 Diamond 0.2901595E+00 Metallicity 0.3147766E+01 Ellipticity 0.7088814E-02 Gb(Abramov) 0.9408153E-01 Vb(Abramov) -0.1091888E+00 Hb(Abramov) -0.1510732E-01 Ex_ueg -0.2487708E-01 Ec_ueg -0.4049603E-02 Delta_ex -0.2905019E-01 Delta_ec 0.9119963E-02 Delta_et -0.1075275E+00 Pxc 0.6143090E+01 Qxc -0.3185341E+01 3,-1 127 3 -1 1.513195 -2.665674 -1.976726 Rho 0.8250352E-01 |GRAD(Rho)| 0.1340119E-12 GRAD(Rho)x 0.4611520E-13 GRAD(Rho)y 0.1219457E-12 GRAD(Rho)z 0.3101336E-13 Laplacian 0.3310523E+00 (-1/4)Del**2(Rho)) -0.8276309E-01 Diamond 0.3224462E+00 Metallicity 0.3254648E+01 Ellipticity 0.1006381E-01 Gb(Abramov) 0.1000695E+00 Vb(Abramov) -0.1173759E+00 Hb(Abramov) -0.1730642E-01 Ex_ueg -0.2652661E-01 Ec_ueg -0.4277995E-02 Delta_ex -0.3078080E-01 Delta_ec 0.9466128E-02 Delta_et -0.1128054E+00 Pxc 0.6200710E+01 Qxc -0.3251679E+01 3,-1 128 3 +1 2.081488 -2.054637 -0.102341 Rho 0.4727625E-02 |GRAD(Rho)| 0.4505958E-15 GRAD(Rho)x 0.8700151E-16 GRAD(Rho)y 0.1458563E-16 GRAD(Rho)z -0.4418762E-15 Laplacian 0.1909832E-01 (-1/4)Del**2(Rho)) -0.4774579E-02 Diamond 0.4366558E-03 Metallicity 0.4804960E+00 Ellipticity -0.4325365E+01 Gb(Abramov) 0.3565414E-02 Vb(Abramov) -0.2356249E-02 Hb(Abramov) 0.1209165E-02 Ex_ueg -0.5860155E-03 Ec_ueg -0.1352103E-03 Delta_ex -0.9629808E-03 Delta_ec 0.6435171E-03 Delta_et -0.3419376E-02 Pxc 0.4334104E+01 Qxc -0.1496434E+01 3,+1 129 3 -1 1.727589 -0.662488 -1.649839 Rho 0.3340898E-01 |GRAD(Rho)| 0.3654018E-13 GRAD(Rho)x -0.3555364E-13 GRAD(Rho)y -0.2480071E-14 GRAD(Rho)z 0.8060585E-14 Laplacian 0.1252325E+00 (-1/4)Del**2(Rho)) -0.3130813E-01 Diamond 0.3467630E-01 Metallicity 0.1906930E+01 Ellipticity 0.6704966E-01 Gb(Abramov) 0.3082249E-01 Vb(Abramov) -0.3033685E-01 Hb(Abramov) 0.4856429E-03 Ex_ueg -0.7946990E-02 Ec_ueg -0.1520750E-02 Delta_ex -0.9178295E-02 Delta_ec 0.3475644E-02 Delta_et -0.3288646E-01 Pxc 0.5225705E+01 Qxc -0.2640747E+01 3,-1 130 3 -1 1.774392 -0.696861 1.584494 Rho 0.3396113E-01 |GRAD(Rho)| 0.1108417E-14 GRAD(Rho)x 0.9710989E-15 GRAD(Rho)y -0.4430572E-15 GRAD(Rho)z 0.2987554E-15 Laplacian 0.1262395E+00 (-1/4)Del**2(Rho)) -0.3155988E-01 Diamond 0.3589777E-01 Metallicity 0.1944113E+01 Ellipticity 0.6395351E-01 Gb(Abramov) 0.3126591E-01 Vb(Abramov) -0.3097195E-01 Hb(Abramov) 0.2939650E-03 Ex_ueg -0.8122592E-02 Ec_ueg -0.1549679E-02 Delta_ex -0.9300948E-02 Delta_ec 0.3523087E-02 Delta_et -0.3348387E-01 Pxc 0.5241467E+01 Qxc -0.2639999E+01 3,-1 131 3 -1 1.454872 1.498305 -2.066555 Rho 0.5810952E-02 |GRAD(Rho)| 0.3419516E-17 GRAD(Rho)x -0.3346911E-17 GRAD(Rho)y -0.3084465E-18 GRAD(Rho)z -0.6293969E-18 Laplacian 0.2356727E-01 (-1/4)Del**2(Rho)) -0.5891819E-02 Diamond 0.7759562E-03 Metallicity 0.5491815E+00 Ellipticity 0.3390685E+01 Gb(Abramov) 0.4467159E-02 Vb(Abramov) -0.3042499E-02 Hb(Abramov) 0.1424660E-02 Ex_ueg -0.7715808E-03 Ec_ueg -0.1819766E-03 Delta_ex -0.1285069E-02 Delta_ec 0.8821866E-03 Delta_et -0.4956354E-02 Pxc 0.4240001E+01 Qxc -0.1456686E+01 3,-1 132 3 -1 1.879067 3.052817 -0.679741 Rho 0.1274313E+00 |GRAD(Rho)| 0.1492467E-13 GRAD(Rho)x -0.7674911E-14 GRAD(Rho)y -0.5040361E-14 GRAD(Rho)z -0.1176590E-13 Laplacian 0.5030968E+00 (-1/4)Del**2(Rho)) -0.1257742E+00 Diamond 0.8441639E+00 Metallicity 0.4419994E+01 Ellipticity 0.1698834E-01 Gb(Abramov) 0.1765030E+00 Vb(Abramov) -0.2272318E+00 Hb(Abramov) -0.5072880E-01 Ex_ueg -0.4736088E-01 Ec_ueg -0.7014857E-02 Delta_ex -0.5200226E-01 Delta_ec 0.1341316E-01 Delta_et -0.1744097E+00 Pxc 0.6751511E+01 Qxc -0.3876959E+01 3,-1 133 3 -1 2.713537 -1.524377 -2.010692 Rho 0.1796648E+00 |GRAD(Rho)| 0.1296571E-13 GRAD(Rho)x -0.1180149E-13 GRAD(Rho)y -0.4172877E-14 GRAD(Rho)z 0.3379580E-14 Laplacian 0.6918183E+00 (-1/4)Del**2(Rho)) -0.1729546E+00 Diamond 0.1739817E+01 Metallicity 0.5698050E+01 Ellipticity 0.4066623E-01 Gb(Abramov) 0.2795537E+00 Vb(Abramov) -0.3861528E+00 Hb(Abramov) -0.1065991E+00 Ex_ueg -0.7487483E-01 Ec_ueg -0.1036883E-01 Delta_ex -0.7769425E-01 Delta_ec 0.1674207E-01 Delta_et -0.2278021E+00 Pxc 0.7221148E+01 Qxc -0.4640661E+01 3,-1 134 3 -1 2.722684 -1.572671 2.011760 Rho 0.1839908E+00 |GRAD(Rho)| 0.4709774E-13 GRAD(Rho)x -0.4422199E-13 GRAD(Rho)y -0.5902559E-14 GRAD(Rho)z -0.1509212E-13 Laplacian 0.7118375E+00 (-1/4)Del**2(Rho)) -0.1779594E+00 Diamond 0.1838719E+01 Metallicity 0.5761814E+01 Ellipticity 0.4816220E-01 Gb(Abramov) 0.2895344E+00 Vb(Abramov) -0.4011094E+00 Hb(Abramov) -0.1115750E+00 Ex_ueg -0.7728822E-01 Ec_ueg -0.1065388E-01 Delta_ex -0.8039804E-01 Delta_ec 0.1707334E-01 Delta_et -0.2327389E+00 Pxc 0.7254465E+01 Qxc -0.4708983E+01 3,-1 135 3 -1 2.523083 -0.340503 2.687872 Rho 0.1306396E+00 |GRAD(Rho)| 0.1885166E-12 GRAD(Rho)x 0.5166362E-13 GRAD(Rho)y 0.1172781E-12 GRAD(Rho)z -0.1382578E-12 Laplacian 0.5157983E+00 (-1/4)Del**2(Rho)) -0.1289496E+00 Diamond 0.8919865E+00 Metallicity 0.4493570E+01 Ellipticity 0.1380651E-01 Gb(Abramov) 0.1825404E+00 Vb(Abramov) -0.2361312E+00 Hb(Abramov) -0.5359080E-01 Ex_ueg -0.4895740E-01 Ec_ueg -0.7215946E-02 Delta_ex -0.5363778E-01 Delta_ec 0.1367645E-01 Delta_et -0.1785771E+00 Pxc 0.6784613E+01 Qxc -0.3921907E+01 3,-1 136 3 +3 0.498574 3.262292 -0.010366 Rho 0.1188471E-01 |GRAD(Rho)| 0.1191050E-13 GRAD(Rho)x -0.1192621E-14 GRAD(Rho)y -0.1162030E-13 GRAD(Rho)z -0.2325140E-14 Laplacian 0.5431018E-01 (-1/4)Del**2(Rho)) -0.1357755E-01 Diamond 0.1356731E-02 Metallicity 0.7853190E+00 Ellipticity -0.8690504E+00 Gb(Abramov) 0.1082881E-01 Vb(Abramov) -0.8080084E-02 Hb(Abramov) 0.2748731E-02 Ex_ueg -0.2003102E-02 Ec_ueg -0.4542494E-03 Delta_ex -0.2431295E-02 Delta_ec 0.2916174E-03 Delta_et -0.2500740E-02 Pxc 0.4409697E+01 Qxc -0.8337277E+01 3,+3 137 3 -1 2.958965 0.359445 1.578061 Rho 0.1222373E+00 |GRAD(Rho)| 0.2746421E-13 GRAD(Rho)x -0.2235579E-13 GRAD(Rho)y 0.1147250E-13 GRAD(Rho)z -0.1108529E-13 Laplacian 0.5131106E+00 (-1/4)Del**2(Rho)) -0.1282776E+00 Diamond 0.8173259E+00 Metallicity 0.4043354E+01 Ellipticity 0.1388478E-01 Gb(Abramov) 0.1719638E+00 Vb(Abramov) -0.2156499E+00 Hb(Abramov) -0.4368611E-01 Ex_ueg -0.4480468E-01 Ec_ueg -0.6690785E-02 Delta_ex -0.5249057E-01 Delta_ec 0.1377641E-01 Delta_et -0.1778028E+00 Pxc 0.6696476E+01 Qxc -0.3810178E+01 3,-1 138 3 -1 3.220144 3.118790 0.060963 Rho 0.2338493E+00 |GRAD(Rho)| 0.6786740E-14 GRAD(Rho)x -0.5464379E-14 GRAD(Rho)y 0.6838605E-15 GRAD(Rho)z -0.3966452E-14 Laplacian 0.8528005E+00 (-1/4)Del**2(Rho)) -0.2132001E+00 Diamond 0.2927367E+01 Metallicity 0.7172312E+01 Ellipticity 0.4839850E-02 Gb(Abramov) 0.3969897E+00 Vb(Abramov) -0.5807793E+00 Hb(Abramov) -0.1837896E+00 Ex_ueg -0.1064061E+00 Ec_ueg -0.1401497E-01 Delta_ex -0.1023626E+00 Delta_ec 0.1902348E-01 Delta_et -0.2634216E+00 Pxc 0.7592317E+01 Qxc -0.5380855E+01 3,-1 139 3 -1 2.905654 0.390498 -1.572537 Rho 0.1328467E+00 |GRAD(Rho)| 0.5287190E-16 GRAD(Rho)x -0.7209944E-17 GRAD(Rho)y 0.4786753E-16 GRAD(Rho)z 0.2126392E-16 Laplacian 0.5571631E+00 (-1/4)Del**2(Rho)) -0.1392908E+00 Diamond 0.9772888E+00 Metallicity 0.4277752E+01 Ellipticity 0.1460896E-01 Gb(Abramov) 0.1921691E+00 Vb(Abramov) -0.2450474E+00 Hb(Abramov) -0.5287830E-01 Ex_ueg -0.5006331E-01 Ec_ueg -0.7354674E-02 Delta_ex -0.5810549E-01 Delta_ec 0.1459255E-01 Delta_et -0.1908261E+00 Pxc 0.6807005E+01 Qxc -0.3981859E+01 3,-1 140 3 +1 2.993743 0.522046 0.040080 Rho 0.1251113E-01 |GRAD(Rho)| 0.1351958E-16 GRAD(Rho)x 0.1237481E-17 GRAD(Rho)y -0.1101038E-16 GRAD(Rho)z -0.7747205E-17 Laplacian 0.6252426E-01 (-1/4)Del**2(Rho)) -0.1563107E-01 Diamond 0.2614939E-02 Metallicity 0.7431193E+00 Ellipticity -0.1257747E+01 Gb(Abramov) 0.1235667E-01 Vb(Abramov) -0.9082271E-02 Hb(Abramov) 0.3274397E-02 Ex_ueg -0.2145097E-02 Ec_ueg -0.4832155E-03 Delta_ex -0.3097024E-02 Delta_ec 0.7930380E-03 Delta_et -0.6021228E-02 Pxc 0.4439214E+01 Qxc -0.3905265E+01 3,+1 141 3 -1 3.166876 -0.759481 -0.908793 Rho 0.1160335E+00 |GRAD(Rho)| 0.3102618E-15 GRAD(Rho)x -0.2053343E-15 GRAD(Rho)y 0.1000939E-15 GRAD(Rho)z 0.2099558E-15 Laplacian 0.4901631E+00 (-1/4)Del**2(Rho)) -0.1225408E+00 Diamond 0.7366495E+00 Metallicity 0.3880713E+01 Ellipticity 0.1348544E-01 Gb(Abramov) 0.1609515E+00 Vb(Abramov) -0.1993621E+00 Hb(Abramov) -0.3841068E-01 Ex_ueg -0.4179872E-01 Ec_ueg -0.6306147E-02 Delta_ex -0.4957174E-01 Delta_ec 0.1340264E-01 Delta_et -0.1715220E+00 Pxc 0.6628250E+01 Qxc -0.3698653E+01 3,-1 142 3 -1 3.192459 -0.795811 0.860122 Rho 0.1635051E+00 |GRAD(Rho)| 0.1603174E-14 GRAD(Rho)x -0.1131636E-16 GRAD(Rho)y 0.1019828E-16 GRAD(Rho)z 0.1603101E-14 Laplacian 0.6851645E+00 (-1/4)Del**2(Rho)) -0.1712911E+00 Diamond 0.1534910E+01 Metallicity 0.4917039E+01 Ellipticity 0.2330815E-01 Gb(Abramov) 0.2545683E+00 Vb(Abramov) -0.3378454E+00 Hb(Abramov) -0.8327715E-01 Ex_ueg -0.6603284E-01 Ec_ueg -0.9313564E-02 Delta_ex -0.7512042E-01 Delta_ec 0.1693119E-01 Delta_et -0.2277487E+00 Pxc 0.7089965E+01 Qxc -0.4436807E+01 3,-1 143 3 -1 3.899254 -0.589525 -2.258216 Rho 0.2331015E+00 |GRAD(Rho)| 0.2682027E-15 GRAD(Rho)x 0.1325979E-15 GRAD(Rho)y -0.3642242E-17 GRAD(Rho)z -0.2331035E-15 Laplacian 0.8442943E+00 (-1/4)Del**2(Rho)) -0.2110736E+00 Diamond 0.2891253E+01 Metallicity 0.7206003E+01 Ellipticity 0.3954396E-02 Gb(Abramov) 0.3942152E+00 Vb(Abramov) -0.5773568E+00 Hb(Abramov) -0.1831416E+00 Ex_ueg -0.1059527E+00 Ec_ueg -0.1396354E-01 Delta_ex -0.1012806E+00 Delta_ec 0.1889320E-01 Delta_et -0.2617597E+00 Pxc 0.7587805E+01 Qxc -0.5360690E+01 3,-1 144 3 -1 3.940389 -0.676475 2.188003 Rho 0.2346181E+00 |GRAD(Rho)| 0.2274160E-14 GRAD(Rho)x -0.2199955E-14 GRAD(Rho)y 0.5408814E-16 GRAD(Rho)z -0.5736514E-15 Laplacian 0.8496996E+00 (-1/4)Del**2(Rho)) -0.2124249E+00 Diamond 0.2931465E+01 Metallicity 0.7237971E+01 Ellipticity 0.3350093E-02 Gb(Abramov) 0.3978708E+00 Vb(Abramov) -0.5833167E+00 Hb(Abramov) -0.1854459E+00 Ex_ueg -0.1068727E+00 Ec_ueg -0.1406787E-01 Delta_ex -0.1020951E+00 Delta_ec 0.1896745E-01 Delta_et -0.2628157E+00 Pxc 0.7596940E+01 Qxc -0.5382649E+01 3,-1 145 3 -1 0.543914 3.300458 -1.536996 Rho 0.1487772E+00 |GRAD(Rho)| 0.1659693E-12 GRAD(Rho)x -0.1591068E-12 GRAD(Rho)y -0.3102961E-13 GRAD(Rho)z -0.3560899E-13 Laplacian 0.6007501E+00 (-1/4)Del**2(Rho)) -0.1501875E+00 Diamond 0.1202975E+01 Metallicity 0.4791591E+01 Ellipticity 0.5218874E-01 Gb(Abramov) 0.2200645E+00 Vb(Abramov) -0.2899416E+00 Hb(Abramov) -0.6987702E-01 Ex_ueg -0.5822373E-01 Ec_ueg -0.8365280E-02 Delta_ex -0.6435976E-01 Delta_ec 0.1522784E-01 Delta_et -0.2023769E+00 Pxc 0.6960165E+01 Qxc -0.4226454E+01 3,-1 146 3 -1 0.397519 3.283540 1.476914 Rho 0.9052969E-01 |GRAD(Rho)| 0.5499583E-13 GRAD(Rho)x 0.1597316E-13 GRAD(Rho)y 0.3833193E-13 GRAD(Rho)z -0.3605638E-13 Laplacian 0.3660196E+00 (-1/4)Del**2(Rho)) -0.9150489E-01 Diamond 0.3993020E+00 Metallicity 0.3436323E+01 Ellipticity 0.1581970E-01 Gb(Abramov) 0.1134100E+00 Vb(Abramov) -0.1353151E+00 Hb(Abramov) -0.2190509E-01 Ex_ueg -0.3002201E-01 Ec_ueg -0.4755039E-02 Delta_ex -0.3477233E-01 Delta_ec 0.1027626E-01 Delta_et -0.1249235E+00 Pxc 0.6313726E+01 Qxc -0.3383752E+01 3,-1 147 3 -1 0.654531 -3.125846 0.882350 Rho 0.1425520E+00 |GRAD(Rho)| 0.4459913E-12 GRAD(Rho)x -0.1024752E-12 GRAD(Rho)y 0.1877128E-13 GRAD(Rho)z 0.4336527E-12 Laplacian 0.5877073E+00 (-1/4)Del**2(Rho)) -0.1469268E+00 Diamond 0.1125192E+01 Metallicity 0.4561148E+01 Ellipticity 0.4863933E-02 Gb(Abramov) 0.2096437E+00 Vb(Abramov) -0.2723606E+00 Hb(Abramov) -0.6271689E-01 Ex_ueg -0.5499831E-01 Ec_ueg -0.7968451E-02 Delta_ex -0.6238364E-01 Delta_ec 0.1519274E-01 Delta_et -0.2009720E+00 Pxc 0.6902008E+01 Qxc -0.4106148E+01 3,-1 148 3 -1 0.678960 -3.136215 -0.865539 Rho 0.1348968E+00 |GRAD(Rho)| 0.2917825E-13 GRAD(Rho)x -0.6222958E-14 GRAD(Rho)y 0.1115900E-14 GRAD(Rho)z -0.2848508E-13 Laplacian 0.5577398E+00 (-1/4)Del**2(Rho)) -0.1394349E+00 Diamond 0.1001430E+01 Metallicity 0.4383802E+01 Ellipticity 0.4304055E-02 Gb(Abramov) 0.1948325E+00 Vb(Abramov) -0.2502300E+00 Hb(Abramov) -0.5539754E-01 Ex_ueg -0.5109604E-01 Ec_ueg -0.7483818E-02 Delta_ex -0.5843851E-01 Delta_ec 0.1465565E-01 Delta_et -0.1923163E+00 Pxc 0.6827536E+01 Qxc -0.3987438E+01 3,-1 149 3 -1 1.848269 3.070266 0.725645 Rho 0.1689340E+00 |GRAD(Rho)| 0.1289672E-13 GRAD(Rho)x 0.9554803E-15 GRAD(Rho)y -0.1031090E-13 GRAD(Rho)z 0.7687508E-14 Laplacian 0.6595243E+00 (-1/4)Del**2(Rho)) -0.1648811E+00 Diamond 0.1540104E+01 Metallicity 0.5393998E+01 Ellipticity 0.4490295E-01 Gb(Abramov) 0.2581487E+00 Vb(Abramov) -0.3514164E+00 Hb(Abramov) -0.9326767E-01 Ex_ueg -0.6897226E-01 Ec_ueg -0.9666384E-02 Delta_ex -0.7293060E-01 Delta_ec 0.1621487E-01 Delta_et -0.2191120E+00 Pxc 0.7135270E+01 Qxc -0.4497760E+01 3,-1 150 3 -1 2.491093 -0.304089 -2.755259 Rho 0.1734664E+00 |GRAD(Rho)| 0.3856183E-13 GRAD(Rho)x 0.3836840E-13 GRAD(Rho)y -0.3819617E-14 GRAD(Rho)z -0.5397701E-15 Laplacian 0.6765039E+00 (-1/4)Del**2(Rho)) -0.1691260E+00 Diamond 0.1633803E+01 Metallicity 0.5495854E+01 Ellipticity 0.4457394E-01 Gb(Abramov) 0.2676659E+00 Vb(Abramov) -0.3662059E+00 Hb(Abramov) -0.9853996E-01 Ex_ueg -0.7145055E-01 Ec_ueg -0.9962263E-02 Delta_ex -0.7533001E-01 Delta_ec 0.1656277E-01 Delta_et -0.2246186E+00 Pxc 0.7172121E+01 Qxc -0.4548152E+01 3,-1 151 3 -1 2.640617 1.866594 -0.631545 Rho 0.1434907E+00 |GRAD(Rho)| 0.1984808E-12 GRAD(Rho)x -0.3326634E-13 GRAD(Rho)y 0.1493046E-12 GRAD(Rho)z 0.1264757E-12 Laplacian 0.6045936E+00 (-1/4)Del**2(Rho)) -0.1511484E+00 Diamond 0.1161763E+01 Metallicity 0.4482525E+01 Ellipticity 0.8446001E-02 Gb(Abramov) 0.2136867E+00 Vb(Abramov) -0.2762250E+00 Hb(Abramov) -0.6253828E-01 Ex_ueg -0.5548176E-01 Ec_ueg -0.8028138E-02 Delta_ex -0.6422691E-01 Delta_ec 0.1551136E-01 Delta_et -0.2051875E+00 Pxc 0.6910912E+01 Qxc -0.4140637E+01 3,-1 152 3 -1 2.671918 1.870140 0.751739 Rho 0.1587704E+00 |GRAD(Rho)| 0.3266820E-15 GRAD(Rho)x -0.4746773E-16 GRAD(Rho)y -0.3157739E-15 GRAD(Rho)z -0.6895526E-16 Laplacian 0.6610162E+00 (-1/4)Del**2(Rho)) -0.1652541E+00 Diamond 0.1435303E+01 Metallicity 0.4853075E+01 Ellipticity 0.2181876E-01 Gb(Abramov) 0.2438344E+00 Vb(Abramov) -0.3224148E+00 Hb(Abramov) -0.7858037E-01 Ex_ueg -0.6349573E-01 Ec_ueg -0.9007290E-02 Delta_ex -0.7199975E-01 Delta_ec 0.1655326E-01 Delta_et -0.2220898E+00 Pxc 0.7049371E+01 Qxc -0.4349581E+01 3,-1 153 3 -1 -2.112598 1.477005 -2.116235 Rho 0.3109463E+00 |GRAD(Rho)| 0.5435985E-15 GRAD(Rho)x 0.1375174E-15 GRAD(Rho)y -0.5207245E-15 GRAD(Rho)z 0.7371770E-16 Laplacian -0.1548512E+01 (-1/4)Del**2(Rho)) 0.3871281E+00 Diamond 0.5312092E+01 Metallicity -0.6350982E+01 Ellipticity 0.4727664E-02 Gb(Abramov) 0.1516885E+00 Vb(Abramov) -0.6905052E+00 Hb(Abramov) -0.5388166E+00 Ex_ueg -0.1555843E+00 Ec_ueg -0.1948150E-01 Delta_ex 0.1521602E+00 Delta_ec 0.5459177E-01 Delta_et -0.1278672E+01 Pxc 0.7986256E+01 Qxc 0.2787238E+01 3,-1 154 3 -1 -1.335402 2.601505 -1.795419 Rho 0.1426213E+00 |GRAD(Rho)| 0.3611736E-15 GRAD(Rho)x -0.3545612E-15 GRAD(Rho)y -0.6696304E-16 GRAD(Rho)z -0.1576879E-16 Laplacian 0.5406679E+00 (-1/4)Del**2(Rho)) -0.1351670E+00 Diamond 0.1047743E+01 Metallicity 0.4961997E+01 Ellipticity 0.1123093E+00 Gb(Abramov) 0.2018943E+00 Vb(Abramov) -0.2686217E+00 Hb(Abramov) -0.6672736E-01 Ex_ueg -0.5503397E-01 Ec_ueg -0.7972856E-02 Delta_ex -0.5752525E-01 Delta_ec 0.1420345E-01 Delta_et -0.1883853E+00 Pxc 0.6902667E+01 Qxc -0.4050090E+01 3,-1 155 3 -1 -1.481350 2.592199 1.715428 Rho 0.2060315E+00 |GRAD(Rho)| 0.5471116E-15 GRAD(Rho)x 0.5188992E-15 GRAD(Rho)y 0.1734181E-15 GRAD(Rho)z 0.9757820E-18 Laplacian 0.7963358E+00 (-1/4)Del**2(Rho)) -0.1990839E+00 Diamond 0.2320524E+01 Metallicity 0.6219271E+01 Ellipticity 0.2052653E-01 Gb(Abramov) 0.3390821E+00 Vb(Abramov) -0.4790803E+00 Hb(Abramov) -0.1399982E+00 Ex_ueg -0.8987311E-01 Ec_ueg -0.1212266E-01 Delta_ex -0.9233291E-01 Delta_ec 0.1810386E-01 Delta_et -0.2477334E+00 Pxc 0.7413648E+01 Qxc -0.5100178E+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 68 116 148 73 127 115 104 109 84 155 101 81 146 77 130 142 137 134 135 144 91 92 79 74 94 138 125 151 152 132 149 113 87 70 90 98 121 114 85 147 89 126 105 129 139 141 150 133 143 82 99 154 83 145 80 69 60 48 50 55 68 93 107 131 61 153 54 119 57 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 18 19 21 23 25 28 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 19 21 23 28 36 36 36 20 45 46 45 27 46 2.341448 1.953893 1.759565 2.165451 1.988419 1.764367 1.760027 2.397421 1.775851 1.976463 1.993891 2.106764 1.752138 2.543651 1.878815 1.994594 1.845976 1.978144 1.752203 2.387511 1.977969 1.788441 2.103804 1.937645 1.753340 2.485954 1.931266 1.891246 1.988565 1.879622 1.750797 2.408636 1.955496 1.932750 1.921753 1.928760 2.336296 1.755607 1.932627 2.010853 2.184730 1.764623 2.549633 1.961120 2.013219 1.867229 1.855509 1.754685 2.394434 1.922388 1.951858 1.752338 1.925616 1.939876 1.763262 3.166095 3.156448 3.086868 3.238153 1.642765 1.757242 1.767581 3.226736 0.997446 1.004331 1.786565 3.226867 1.729380 2.342858 1.954271 1.759599 2.165998 1.988976 1.764390 1.760050 2.398973 1.776061 1.976958 1.994669 2.107458 1.752169 2.545142 1.879253 1.994980 1.846354 1.978678 1.752218 2.389058 1.978284 1.788534 2.104314 1.938211 1.753348 2.487694 1.931714 1.891673 1.989061 1.880060 1.750808 2.410169 1.956609 1.933366 1.922359 1.929313 2.337574 1.755636 1.933027 2.011444 2.185224 1.764642 2.551117 1.961572 2.013585 1.867598 1.855915 1.754703 2.396100 1.922972 1.952835 1.752344 1.926158 1.940455 1.763282 3.283680 3.206721 3.116547 3.321942 1.642772 1.757275 1.767598 3.230314 0.997533 1.004409 1.794460 3.230374 1.733787 30 25 25 29 25 24 24 27 22 28 24 25 27 32 24 28 25 27 24 27 25 25 30 25 24 31 24 25 26 25 26 27 28 25 28 27 30 23 24 25 28 24 33 26 26 22 25 23 27 26 24 22 25 25 25 36 37 35 36 23 25 25 35 23 19 28 35 27 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 W O Mo W W W W O O W W W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H 2.3495 -0.8525 2.2162 2.4430 2.3649 2.4567 2.4303 -0.8427 -0.8277 2.3576 2.4309 2.4251 -1.0958 -0.8829 -1.0903 -1.0937 -0.8056 -0.9764 -0.8094 -0.9773 -0.8164 -0.9719 -0.7879 -0.9932 -0.9511 -0.8137 -0.9698 -0.8681 -0.9795 -0.8306 -0.9849 -0.9893 -0.9716 -0.9598 -0.9639 2.2212 -0.8607 -0.9857 -1.0047 -0.9606 -0.8611 -0.8489 -0.7749 -0.8402 0.2753 0.2724 2.1328 1.9543 2.0069 2.0982 2.1242 2.0915 2.1072 1.9568 1.9575 2.1319 2.1015 2.1088 1.9304 1.9588 1.9307 1.9294 1.9571 1.9288 1.8740 1.9291 1.8739 1.9306 1.9663 1.9285 1.9318 1.9562 1.9310 1.9538 1.9398 1.9569 1.9393 1.9389 1.9416 1.9407 1.9434 0.8920 1.9533 1.9376 1.9372 1.9414 1.9532 1.9559 1.9654 1.9575 0.5726 0.5689 6.1133 4.8663 6.1049 6.0904 6.1148 6.0897 6.1060 4.8529 4.8369 6.1092 6.0929 6.1110 5.1323 4.8906 5.1268 5.1317 4.8151 5.0181 4.9051 5.0196 4.9121 5.0115 4.7910 5.0359 4.9922 4.8248 5.0089 4.8818 5.0092 4.8406 5.0143 5.0198 5.0006 4.9913 4.9903 1.3353 4.8760 5.0167 5.0365 4.9913 4.8765 4.8602 4.7799 4.8495 0.1522 0.1587 3.3757 0.0319 3.6721 3.3390 3.3671 3.3322 3.3271 0.0330 0.0333 3.3726 3.3453 3.3257 0.0332 0.0335 0.0328 0.0326 0.0333 0.0295 0.0303 0.0285 0.0305 0.0299 0.0305 0.0288 0.0271 0.0327 0.0299 0.0325 0.0304 0.0331 0.0313 0.0306 0.0295 0.0279 0.0302 10.5515 0.0313 0.0315 0.0310 0.0279 0.0313 0.0329 0.0296 0.0332 0.0000 0.0000 14.0287 0.0000 0.0000 14.0296 14.0290 14.0299 14.0294 0.0000 0.0000 14.0286 14.0295 14.0295 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 W O Mo W W W W O O W W W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H 2.474193 -0.905303 3.146747 2.496638 2.477691 2.503606 2.506350 -0.888872 -0.875861 2.472371 2.494152 2.506962 -1.093102 -0.971335 -1.137439 -1.094887 -0.870355 -0.978493 -0.656203 -0.989131 -0.666336 -0.979009 -0.987149 -0.993284 -1.089139 -0.880342 -0.979601 -0.844908 -0.982847 -0.880395 -0.976711 -0.972124 -0.982411 -1.078093 -0.973481 2.274454 -0.914372 -0.977444 -0.987388 -1.062806 -0.915351 -0.896514 -1.057678 -0.885528 0.037583 0.033145 1.934547 -0.819639 2.329876 1.927977 1.922303 1.927682 1.947801 -0.802067 -0.776827 1.937013 1.926408 1.944758 -0.726002 -0.805171 -0.786215 -0.729775 -0.774711 -0.731563 -0.816947 -0.731161 -0.820987 -0.742936 -0.803781 -0.726852 -0.836011 -0.791091 -0.743023 -0.760086 -0.829214 -0.779984 -0.804569 -0.790966 -0.834207 -0.875122 -0.827525 1.752462 -0.833781 -0.797885 -0.813522 -0.903611 -0.834920 -0.812130 -0.857164 -0.798677 0.289763 0.277530 2.027493 -0.795716 2.427139 2.031834 2.023521 2.028031 2.055055 -0.766033 -0.757375 2.023828 2.028239 2.060141 -0.786859 -0.740653 -0.848927 -0.797867 -0.779739 -0.826551 -0.868727 -0.823925 -0.849067 -0.838238 -0.870456 -0.826205 -0.925048 -0.798700 -0.822565 -0.813638 -0.851116 -0.757946 -0.844571 -0.850183 -0.856575 -0.935459 -0.851739 1.702075 -0.810644 -0.836176 -0.873281 -0.930626 -0.810734 -0.778975 -0.834104 -0.763705 0.383253 0.331513 -21.16512337 1.91890553 2.44101500 21.39166193 72.37894798 16.66664652 0.67281410 -36.59117654 1.02469544 -35.78777144 -315.2972 358.9763 -27.4786 -352.6573 -60.9984 -397.4553 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:12 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Jun10-2024 15:28:48 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Jun10-2024 15:29:00 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:18 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -13.98364466 -14.33657127 -14.36890469 -14.52078274 -14.55155826 -14.57130726 -14.57854037 -14.58633036 -14.58928357 -14.59375243 -14.59563887 -14.59649214 -14.59908698 -14.59988035 -14.60071773 -14.60208307 -14.60329376 -14.60396496 -14.60477964 -14.60523219 -14.60559603 -14.60587919 -14.60606469 -14.60606289 -14.60617743 -14.60614477 -14.60617293 -14.60618257 -14.60618671 -14.60618950 -14.60619380 -14.60620092 -14.60620924 -14.60621528 GEOMETRY CONVERGED