ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:16:35 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 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 Jun12-2024 02:16:35 Nodes: 1 Procs: 1 Jun12-2024 02:16:37 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:16:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.47 0.08 2.28 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun12-2024 02:16:35 Nodes: 1 Procs: 1 Jun12-2024 02:16:37 Nodes: 1 Procs: 1 0 Jun12-2024 02:16:40 Nodes: 1 Procs: 1 Jun12-2024 02:16:42 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:16:45 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.59 0.06 2.53 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun12-2024 02:16:35 Nodes: 1 Procs: 1 Jun12-2024 02:16:37 Nodes: 1 Procs: 1 0 Jun12-2024 02:16:40 Nodes: 1 Procs: 1 Jun12-2024 02:16:42 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 02:16:45 Nodes: 1 Procs: 1 Jun12-2024 02:16:47 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:16:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.66 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun12-2024 02:16:35 Nodes: 1 Procs: 1 Jun12-2024 02:16:37 Nodes: 1 Procs: 1 0 Jun12-2024 02:16:40 Nodes: 1 Procs: 1 Jun12-2024 02:16:42 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 02:16:45 Nodes: 1 Procs: 1 Jun12-2024 02:16:47 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 02:16:50 Nodes: 1 Procs: 1 Jun12-2024 02:16:52 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:16:54 Hydrogen (TZP) c2-4 c2-4 c2-4 c2-4 c2-4 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.60 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun12-2024 02:16:35 Nodes: 1 Procs: 1 Jun12-2024 02:16:37 Nodes: 1 Procs: 1 0 Jun12-2024 02:16:40 Nodes: 1 Procs: 1 Jun12-2024 02:16:42 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 02:16:45 Nodes: 1 Procs: 1 Jun12-2024 02:16:47 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 02:16:50 Nodes: 1 Procs: 1 Jun12-2024 02:16:52 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 02:16:54 Nodes: 1 Procs: 1 Jun12-2024 02:16:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:17:02 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2105.838199999998 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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.Mo ADF 2019.304 Jun12-2024 02:16:47 1 1 Molybdenum TZP 3d t21.As ADF 2019.304 Jun12-2024 02:16:42 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun12-2024 02:16:57 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun12-2024 02:16:52 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun12-2024 02:16:37 1 1 Hydrogen TZP 1 1 -15.72599995 0.25594773 0.00100000 F 0.09655390 0.00066667 F 0.25594773 0.09655390 0.29685402 0.01000000 F 0.07167663 0.00666667 F Cartesian 2105.838199999998 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262.206988 53.855986 451.333314 373.397804 36.163482 520.204727 99.678057 105.437367 71.078872 88.035990 71.242610 39.529356 19.993583 112.249576 106.641403 31.475590 250.640612 404.677817 227.970753 14.535336 49.693693 19.972440 26.818024 28.317223 43.425018 94.689343 235.228885 311.699145 69.659382 26.516465 162.299135 19.854135 13.766198 252.877501 144.289834 14.890504 140.660680 171.470144 221.161769 119.136060 201.254269 154.322768 730.620105 532.574150 491.107633 3705.892686 5292.302162 4938.240669 1267.105110 886.737745 10.915741 201.228067 993.458980 1102.870542 1559.124775 1505.195974 568.201952 173.570187 145.791577 54.976554 1299.351586 553.638319 361.950515 574.417873 437.808751 194.682545 175.052383 324.469086 149.873250 90.063928 314.659644 175.691378 211.479348 91.275673 482.509422 930.035199 779.892019 736.797096 1.000000 298.150000 64275.7212 65923.5751 76392.0409 1 NOSYM 298.15 48.826 41.000 225.423 315.248 0.889 0.889 138.983 140.760 2.981 2.981 219.695 225.657 2105.838199999998 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224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.050 -6.985 -6.942 -6.905 -6.891 -6.842 -6.795 -6.779 -6.598 -6.541 -4.257 -4.102 -3.980 -3.808 -3.708 -3.474 -3.419 -3.397 -3.362 -3.293 A A A A A A A A A A A A A A A A A A A A 0.00000000079972 0.00039273352366 0.00022700517444 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 42 42 42 42 42 42 42 33 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 0.077211 -2.611727 2.486822 -0.068067 2.566540 2.546505 2.516326 -2.599894 0.015672 2.591110 2.540162 -0.052697 -2.727362 -2.479659 -0.122362 -2.562577 -0.063492 -2.610775 2.645049 0.099904 -2.558832 -0.067098 -0.063307 -0.053324 0.160604 2.519368 -2.507738 -2.562258 2.491587 0.146873 -2.500874 0.113133 2.621817 2.545449 -0.192943 2.581369 0.956671 -1.003209 0.941210 -1.078892 -1.004851 -1.012851 0.955961 0.937291 -0.989329 -0.986172 0.948402 0.990359 -3.027895 -1.147874 1.226919 3.106128 -1.112177 -1.140779 -3.021673 1.085995 -1.127218 2.991185 1.203529 1.211949 1.363949 -1.220923 -3.101684 1.145029 1.193552 2.991211 -1.141017 1.072874 -3.050271 -1.144291 -1.131520 3.049832 -1.168960 2.900888 -1.173764 -1.181460 -2.991185 1.173541 1.118547 3.061768 1.121454 1.245472 -3.044791 -1.162404 3.428278 -1.456067 1.549701 -3.566989 -1.528299 -1.470116 3.431355 1.570106 -1.477182 -3.432250 1.486529 1.539220 1.470577 -1.482562 3.443627 1.538190 1.480799 -3.412222 -1.528393 1.564514 3.430182 -1.939974 -1.655875 -3.512285 -1.634881 -3.547889 -1.389949 -1.539010 3.407870 1.480748 1.560076 -3.413746 1.557881 1.507103 3.410580 -1.521572 -0.230435 -3.784236 3.712202 3.902260 -0.092731 -3.721667 -0.190328 3.698982 -3.727082 0.228408 3.786841 3.725359 3.781019 -3.759501 -0.207410 3.751778 3.770111 0.267557 -3.764290 3.688147 -0.208266 -3.917563 -3.659115 0.284064 -3.790748 0.388202 -3.731425 -3.700006 -0.186236 3.836592 3.712952 0.172126 3.810359 -1.666038 -2.385985 -2.890242 -0.665515 -3.400111 -1.236363 1.150529 -1.930894 -2.420920 1 3 -3 0.077211 -2.611727 2.486822 Rho 0.1240648E+06 3,-3 2 3 -3 -0.068067 2.566540 2.546505 Rho 0.1240648E+06 3,-3 3 3 -3 2.516326 -2.599894 0.015672 Rho 0.1240648E+06 3,-3 4 3 -3 2.591110 2.540162 -0.052697 Rho 0.1240649E+06 3,-3 5 3 -3 -2.727362 -2.479659 -0.122362 Rho 0.1240649E+06 3,-3 6 3 -3 -2.562577 -0.063492 -2.610775 Rho 0.1240648E+06 3,-3 7 3 -3 2.645049 0.099904 -2.558832 Rho 0.1240649E+06 3,-3 8 3 -3 -0.067098 -0.063307 -0.053324 Rho 0.4276082E+05 3,-3 9 3 -3 0.160604 2.519368 -2.507738 Rho 0.4361414E+07 3,-3 10 3 -3 -2.562258 2.491587 0.146873 Rho 0.4361414E+07 3,-3 11 3 -3 -2.500874 0.113133 2.621817 Rho 0.4361414E+07 3,-3 12 3 -3 2.545449 -0.192943 2.581369 Rho 0.4361414E+07 3,-3 13 3 -3 0.956671 -1.003209 0.941210 Rho 0.3190228E+03 3,-3 14 3 -3 -1.078892 -1.004851 -1.012851 Rho 0.3191054E+03 3,-3 15 3 -3 0.955961 0.937291 -0.989329 Rho 0.3190149E+03 3,-3 16 3 -3 -0.986172 0.948402 0.990359 Rho 0.3189939E+03 3,-3 17 3 -3 -3.027895 -1.147874 1.226919 Rho 0.3189392E+03 3,-3 18 3 -3 3.106128 -1.112177 -1.140779 Rho 0.3190030E+03 3,-3 19 3 -3 -3.021673 1.085995 -1.127218 Rho 0.3189447E+03 3,-3 20 3 -3 2.991185 1.203529 1.211949 Rho 0.3189760E+03 3,-3 21 3 -3 1.363949 -1.220923 -3.101684 Rho 0.3188299E+03 3,-3 22 3 -3 1.145029 1.193552 2.991211 Rho 0.3189848E+03 3,-3 23 3 -3 -1.141017 1.072874 -3.050271 Rho 0.3189849E+03 3,-3 24 3 -3 -1.144291 -1.131520 3.049832 Rho 0.3189463E+03 3,-3 25 3 -3 -1.168960 2.900888 -1.173764 Rho 0.3188699E+03 3,-3 26 3 -3 -1.181460 -2.991185 1.173541 Rho 0.3190610E+03 3,-3 27 3 -3 1.118547 3.061768 1.121454 Rho 0.3190185E+03 3,-3 28 3 -3 1.245472 -3.044791 -1.162404 Rho 0.3193055E+03 3,-3 29 3 -3 3.428278 -1.456067 1.549701 Rho 0.3190666E+03 3,-3 30 3 -3 -3.566989 -1.528299 -1.470116 Rho 0.3191561E+03 3,-3 31 3 -3 3.431355 1.570106 -1.477182 Rho 0.3191104E+03 3,-3 32 3 -3 -3.432250 1.486529 1.539220 Rho 0.3189778E+03 3,-3 33 3 -3 1.470577 -1.482562 3.443627 Rho 0.3190309E+03 3,-3 34 3 -3 1.538190 1.480799 -3.412222 Rho 0.3190400E+03 3,-3 35 3 -3 -1.528393 1.564514 3.430182 Rho 0.3190306E+03 3,-3 36 3 -3 -1.939974 -1.655875 -3.512285 Rho 0.3188341E+03 3,-3 37 3 -3 -1.634881 -3.547889 -1.389949 Rho 0.3187970E+03 3,-3 38 3 -3 -1.539010 3.407870 1.480748 Rho 0.3190370E+03 3,-3 39 3 -3 1.560076 -3.413746 1.557881 Rho 0.3190865E+03 3,-3 40 3 -3 1.507103 3.410580 -1.521572 Rho 0.3190426E+03 3,-3 41 3 -3 -0.230435 -3.784236 3.712202 Rho 0.3194974E+03 3,-3 42 3 -3 3.902260 -0.092731 -3.721667 Rho 0.3194929E+03 3,-3 43 3 -3 -0.190328 3.698982 -3.727082 Rho 0.3193688E+03 3,-3 44 3 -3 0.228408 3.786841 3.725359 Rho 0.3194991E+03 3,-3 45 3 -3 3.781019 -3.759501 -0.207410 Rho 0.3194667E+03 3,-3 46 3 -3 3.751778 3.770111 0.267557 Rho 0.3195056E+03 3,-3 47 3 -3 -3.764290 3.688147 -0.208266 Rho 0.3193600E+03 3,-3 48 3 -3 -3.917563 -3.659115 0.284064 Rho 0.3194966E+03 3,-3 49 3 -3 -3.790748 0.388202 -3.731425 Rho 0.3195028E+03 3,-3 50 3 -3 -3.700006 -0.186236 3.836592 Rho 0.3193585E+03 3,-3 51 3 -3 3.712952 0.172126 3.810359 Rho 0.3193515E+03 3,-3 52 3 -3 -1.666038 -2.385985 -2.890242 Rho 0.4420575E+00 3,-3 53 3 -3 -0.665515 -3.400111 -1.236363 Rho 0.4477969E+00 3,-3 54 3 -3 1.150529 -1.930894 -2.420920 Rho 0.4319054E+00 3,-3 55 3 +1 -0.524937 -0.568081 1.674539 Rho 0.8591430E-02 |GRAD(Rho)| 0.1354393E-13 GRAD(Rho)x 0.1086217E-14 GRAD(Rho)y 0.1308658E-13 GRAD(Rho)z -0.3316551E-14 Laplacian 0.3358282E-01 (-1/4)Del**2(Rho)) -0.8395705E-02 Diamond 0.8849959E-03 Metallicity 0.7395004E+00 Ellipticity -0.1426042E+01 Gb(Abramov) 0.6631908E-02 Vb(Abramov) -0.4868111E-02 Hb(Abramov) 0.1763797E-02 Ex_ueg -0.1299588E-02 Ec_ueg -0.3045967E-03 Delta_ex -0.1528166E-02 Delta_ec 0.4624931E-03 Delta_et -0.3168495E-02 Pxc 0.4266586E+01 Qxc -0.3304192E+01 3,+1 56 3 +3 2.341149 0.014521 0.028082 Rho 0.4185763E-02 |GRAD(Rho)| 0.7460275E-15 GRAD(Rho)x -0.5476330E-15 GRAD(Rho)y 0.3657115E-15 GRAD(Rho)z -0.3505855E-15 Laplacian 0.1703473E-01 (-1/4)Del**2(Rho)) -0.4258683E-02 Diamond 0.1338802E-03 Metallicity 0.4397800E+00 Ellipticity -0.2846630E+00 Gb(Abramov) 0.3151270E-02 Vb(Abramov) -0.2043856E-02 Hb(Abramov) 0.1107414E-02 Ex_ueg -0.4982162E-03 Ec_ueg -0.1120429E-03 Delta_ex -0.6081372E-03 Delta_ec 0.1603285E-03 Delta_et -0.9798217E-03 Pxc 0.4446656E+01 Qxc -0.3793070E+01 3,+3 57 3 +1 -2.184075 1.133484 1.322181 Rho 0.2928446E-01 |GRAD(Rho)| 0.7983867E-11 GRAD(Rho)x 0.1996999E-11 GRAD(Rho)y -0.5921077E-11 GRAD(Rho)z 0.4969404E-11 Laplacian 0.1170943E+00 (-1/4)Del**2(Rho)) -0.2927358E-01 Diamond 0.1937777E-01 Metallicity 0.1637342E+01 Ellipticity -0.5018485E+01 Gb(Abramov) 0.2750419E-01 Vb(Abramov) -0.2573481E-01 Hb(Abramov) 0.1769384E-02 Ex_ueg -0.6666552E-02 Ec_ueg -0.1306758E-02 Delta_ex -0.7627974E-02 Delta_ec 0.2039574E-02 Delta_et -0.1869840E-01 Pxc 0.5101597E+01 Qxc -0.3739984E+01 3,+1 58 3 +1 -2.925642 0.126543 0.201660 Rho 0.5585785E-02 |GRAD(Rho)| 0.1586240E-15 GRAD(Rho)x 0.2199094E-16 GRAD(Rho)y 0.8241489E-16 GRAD(Rho)z 0.1337376E-15 Laplacian 0.2305784E-01 (-1/4)Del**2(Rho)) -0.5764460E-02 Diamond 0.6019045E-03 Metallicity 0.5255349E+00 Ellipticity -0.2973166E+01 Gb(Abramov) 0.4347878E-02 Vb(Abramov) -0.2931295E-02 Hb(Abramov) 0.1416583E-02 Ex_ueg -0.7319769E-03 Ec_ueg -0.1722080E-03 Delta_ex -0.1153614E-02 Delta_ec 0.6943362E-03 Delta_et -0.3910903E-02 Pxc 0.4250540E+01 Qxc -0.1661463E+01 3,+1 59 3 -1 -1.788027 -0.520865 -1.771738 Rho 0.4701391E-01 |GRAD(Rho)| 0.1408628E-12 GRAD(Rho)x -0.2613648E-13 GRAD(Rho)y -0.6295392E-13 GRAD(Rho)z -0.1232721E-12 Laplacian 0.1912227E+00 (-1/4)Del**2(Rho)) -0.4780568E-01 Diamond 0.9191079E-01 Metallicity 0.2206909E+01 Ellipticity 0.1335359E-01 Gb(Abramov) 0.4945425E-01 Vb(Abramov) -0.5110281E-01 Hb(Abramov) -0.1648569E-02 Ex_ueg -0.1253200E-01 Ec_ueg -0.2250491E-02 Delta_ex -0.1562749E-01 Delta_ec 0.5930784E-02 Delta_et -0.6159050E-01 Pxc 0.5568561E+01 Qxc -0.2634979E+01 3,-1 60 3 +3 1.045285 -1.133196 -1.217054 Rho 0.4510367E-02 |GRAD(Rho)| 0.1310124E-13 GRAD(Rho)x 0.1080010E-13 GRAD(Rho)y 0.3792700E-14 GRAD(Rho)z 0.6373044E-14 Laplacian 0.1736315E-01 (-1/4)Del**2(Rho)) -0.4340789E-02 Diamond 0.1364609E-03 Metallicity 0.4886572E+00 Ellipticity -0.5255878E+00 Gb(Abramov) 0.3247385E-02 Vb(Abramov) -0.2153982E-02 Hb(Abramov) 0.1093403E-02 Ex_ueg -0.5503862E-03 Ec_ueg -0.1259031E-03 Delta_ex -0.6162158E-03 Delta_ec 0.1357502E-03 Delta_et -0.8825839E-03 Pxc 0.4371506E+01 Qxc -0.4539337E+01 3,+3 61 3 -1 -1.774161 -0.554983 2.831521 Rho 0.1591118E+00 |GRAD(Rho)| 0.3522134E-15 GRAD(Rho)x 0.2749266E-15 GRAD(Rho)y -0.2101997E-15 GRAD(Rho)z 0.6546548E-16 Laplacian 0.6629825E+00 (-1/4)Del**2(Rho)) -0.1657456E+00 Diamond 0.1434329E+01 Metallicity 0.4856035E+01 Ellipticity 0.2295486E-01 Gb(Abramov) 0.2446415E+00 Vb(Abramov) -0.3235374E+00 Hb(Abramov) -0.7889588E-01 Ex_ueg -0.6367783E-01 Ec_ueg -0.9029330E-02 Delta_ex -0.7216982E-01 Delta_ec 0.1644616E-01 Delta_et -0.2203445E+00 Pxc 0.7052332E+01 Qxc -0.4388248E+01 3,-1 62 3 +1 -1.067336 1.396167 2.178821 Rho 0.2715666E-01 |GRAD(Rho)| 0.1791864E-15 GRAD(Rho)x 0.1088447E-15 GRAD(Rho)y 0.1418961E-15 GRAD(Rho)z 0.1122811E-16 Laplacian 0.1075935E+00 (-1/4)Del**2(Rho)) -0.2689838E-01 Diamond 0.1507106E-01 Metallicity 0.1571403E+01 Ellipticity -0.3147801E+01 Gb(Abramov) 0.2497695E-01 Vb(Abramov) -0.2305553E-01 Hb(Abramov) 0.1921427E-02 Ex_ueg -0.6028651E-02 Ec_ueg -0.1197900E-02 Delta_ex -0.6773653E-02 Delta_ec 0.1704328E-02 Delta_et -0.1537064E-01 Pxc 0.5032684E+01 Qxc -0.3974384E+01 3,+1 63 3 -1 -3.362938 -3.110938 0.094089 Rho 0.2350488E+00 |GRAD(Rho)| 0.3495599E-15 GRAD(Rho)x 0.6776264E-17 GRAD(Rho)y -0.3209238E-15 GRAD(Rho)z 0.1383984E-15 Laplacian 0.8592327E+00 (-1/4)Del**2(Rho)) -0.2148082E+00 Diamond 0.2963953E+01 Metallicity 0.7179579E+01 Ellipticity 0.2103231E-02 Gb(Abramov) 0.4002442E+00 Vb(Abramov) -0.5856802E+00 Hb(Abramov) -0.1854360E+00 Ex_ueg -0.1071344E+00 Ec_ueg -0.1409752E-01 Delta_ex -0.1032519E+00 Delta_ec 0.1910202E-01 Delta_et -0.2644095E+00 Pxc 0.7599522E+01 Qxc -0.5405283E+01 3,-1 64 3 +1 -2.283966 -2.212679 -2.030067 Rho 0.1177844E-01 |GRAD(Rho)| 0.5268994E-14 GRAD(Rho)x 0.5261317E-14 GRAD(Rho)y -0.1731798E-16 GRAD(Rho)z -0.2838006E-15 Laplacian 0.5184028E-01 (-1/4)Del**2(Rho)) -0.1296007E-01 Diamond 0.1900992E-02 Metallicity 0.8105104E+00 Ellipticity -0.1323911E+01 Gb(Abramov) 0.1039076E-01 Vb(Abramov) -0.7821446E-02 Hb(Abramov) 0.2569311E-02 Ex_ueg -0.1979256E-02 Ec_ueg -0.4493505E-03 Delta_ex -0.2499002E-02 Delta_ec 0.6073808E-03 Delta_et -0.4584447E-02 Pxc 0.4404703E+01 Qxc -0.4114391E+01 3,+1 65 3 -1 -3.068149 -0.827241 -2.000345 Rho 0.9017201E-01 |GRAD(Rho)| 0.4974929E-13 GRAD(Rho)x -0.1957565E-13 GRAD(Rho)y -0.2899435E-13 GRAD(Rho)z 0.3537108E-13 Laplacian 0.3379340E+00 (-1/4)Del**2(Rho)) -0.8448350E-01 Diamond 0.3704941E+00 Metallicity 0.3697438E+01 Ellipticity 0.1158502E-02 Gb(Abramov) 0.1083844E+00 Vb(Abramov) -0.1322853E+00 Hb(Abramov) -0.2390092E-01 Ex_ueg -0.2986396E-01 Ec_ueg -0.4733658E-02 Delta_ex -0.3214539E-01 Delta_ec 0.9621720E-02 Delta_et -0.1170003E+00 Pxc 0.6308855E+01 Qxc -0.3340919E+01 3,-1 66 3 -1 -3.219812 0.176509 -3.209649 Rho 0.2358787E+00 |GRAD(Rho)| 0.5412980E-15 GRAD(Rho)x 0.1684308E-15 GRAD(Rho)y -0.1966201E-15 GRAD(Rho)z 0.4753684E-15 Laplacian 0.8618893E+00 (-1/4)Del**2(Rho)) -0.2154723E+00 Diamond 0.2984724E+01 Metallicity 0.7199619E+01 Ellipticity 0.2703075E-02 Gb(Abramov) 0.4022013E+00 Vb(Abramov) -0.5889303E+00 Hb(Abramov) -0.1867290E+00 Ex_ueg -0.1076391E+00 Ec_ueg -0.1415468E-01 Delta_ex -0.1036607E+00 Delta_ec 0.1913123E-01 Delta_et -0.2648071E+00 Pxc 0.7604485E+01 Qxc -0.5418400E+01 3,-1 67 3 +1 -2.928380 -0.215885 -0.140397 Rho 0.5558334E-02 |GRAD(Rho)| 0.5086497E-15 GRAD(Rho)x -0.4529902E-16 GRAD(Rho)y -0.4193238E-15 GRAD(Rho)z -0.2843240E-15 Laplacian 0.2303402E-01 (-1/4)Del**2(Rho)) -0.5758505E-02 Diamond 0.5700101E-03 Metallicity 0.5217765E+00 Ellipticity -0.2400767E+01 Gb(Abramov) 0.4339779E-02 Vb(Abramov) -0.2921052E-02 Hb(Abramov) 0.1418726E-02 Ex_ueg -0.7271844E-03 Ec_ueg -0.1710188E-03 Delta_ex -0.1129280E-02 Delta_ec 0.6543179E-03 Delta_et -0.3696484E-02 Pxc 0.4252074E+01 Qxc -0.1725888E+01 3,+1 68 3 -1 -2.930894 -0.022386 0.054621 Rho 0.5612890E-02 |GRAD(Rho)| 0.2432261E-17 GRAD(Rho)x 0.1927520E-17 GRAD(Rho)y -0.1390173E-17 GRAD(Rho)z -0.5176701E-18 Laplacian 0.2263182E-01 (-1/4)Del**2(Rho)) -0.5657956E-02 Diamond 0.7005090E-03 Metallicity 0.5397647E+00 Ellipticity 0.2905827E+01 Gb(Abramov) 0.4280965E-02 Vb(Abramov) -0.2903974E-02 Hb(Abramov) 0.1376991E-02 Ex_ueg -0.7367165E-03 Ec_ueg -0.1733825E-03 Delta_ex -0.1217649E-02 Delta_ec 0.8319408E-03 Delta_et -0.4630061E-02 Pxc 0.4249081E+01 Qxc -0.1463625E+01 3,-1 69 3 -1 -3.149671 -0.048025 3.278916 Rho 0.2468027E+00 |GRAD(Rho)| 0.7196142E-12 GRAD(Rho)x 0.4950037E-12 GRAD(Rho)y 0.1307313E-12 GRAD(Rho)z -0.5056929E-12 Laplacian 0.9062670E+00 (-1/4)Del**2(Rho)) -0.2265668E+00 Diamond 0.3299829E+01 Metallicity 0.7383690E+01 Ellipticity 0.2054439E-02 Gb(Abramov) 0.4298610E+00 Vb(Abramov) -0.6331552E+00 Hb(Abramov) -0.2032942E+00 Ex_ueg -0.1143365E+00 Ec_ueg -0.1491063E-01 Delta_ex -0.1102218E+00 Delta_ec 0.1971601E-01 Delta_et -0.2727012E+00 Pxc 0.7668120E+01 Qxc -0.5590472E+01 3,-1 70 3 -1 -2.976951 0.840553 2.035028 Rho 0.1299709E+00 |GRAD(Rho)| 0.1595714E-12 GRAD(Rho)x -0.7293807E-13 GRAD(Rho)y 0.1105530E-12 GRAD(Rho)z -0.8900062E-13 Laplacian 0.5111330E+00 (-1/4)Del**2(Rho)) -0.1277832E+00 Diamond 0.8747011E+00 Metallicity 0.4495964E+01 Ellipticity 0.2864280E-01 Gb(Abramov) 0.1809403E+00 Vb(Abramov) -0.2340974E+00 Hb(Abramov) -0.5315706E-01 Ex_ueg -0.4862354E-01 Ec_ueg -0.7173975E-02 Delta_ex -0.5304142E-01 Delta_ec 0.1348785E-01 Delta_et -0.1758159E+00 Pxc 0.6777768E+01 Qxc -0.3932534E+01 3,-1 71 3 +1 -0.611202 -1.668716 0.515412 Rho 0.9013281E-02 |GRAD(Rho)| 0.1224508E-12 GRAD(Rho)x 0.2630569E-13 GRAD(Rho)y 0.8773776E-13 GRAD(Rho)z -0.8126678E-13 Laplacian 0.3416078E-01 (-1/4)Del**2(Rho)) -0.8540195E-02 Diamond 0.1019324E-02 Metallicity 0.7874511E+00 Ellipticity -0.1562713E+01 Gb(Abramov) 0.6814294E-02 Vb(Abramov) -0.5088393E-02 Hb(Abramov) 0.1725901E-02 Ex_ueg -0.1385359E-02 Ec_ueg -0.3235091E-03 Delta_ex -0.1598221E-02 Delta_ec 0.5144957E-03 Delta_et -0.3532137E-02 Pxc 0.4282286E+01 Qxc -0.3106384E+01 3,+1 72 3 +1 -2.301565 -1.071539 -1.399101 Rho 0.2597714E-01 |GRAD(Rho)| 0.1413335E-16 GRAD(Rho)x 0.8084455E-17 GRAD(Rho)y 0.1099398E-16 GRAD(Rho)z -0.3677686E-17 Laplacian 0.1019809E+00 (-1/4)Del**2(Rho)) -0.2549522E-01 Diamond 0.1332361E-01 Metallicity 0.1539619E+01 Ellipticity -0.2891415E+01 Gb(Abramov) 0.2353897E-01 Vb(Abramov) -0.2158272E-01 Hb(Abramov) 0.1956253E-02 Ex_ueg -0.5682074E-02 Ec_ueg -0.1138037E-02 Delta_ex -0.6331935E-02 Delta_ec 0.1594681E-02 Delta_et -0.1423652E-01 Pxc 0.4992875E+01 Qxc -0.3970658E+01 3,+1 73 3 +1 -0.562581 0.509592 -1.687553 Rho 0.9116726E-02 |GRAD(Rho)| 0.3978837E-14 GRAD(Rho)x 0.1349186E-14 GRAD(Rho)y -0.2311400E-14 GRAD(Rho)z 0.2944192E-14 Laplacian 0.3538071E-01 (-1/4)Del**2(Rho)) -0.8845179E-02 Diamond 0.1044993E-02 Metallicity 0.7748984E+00 Ellipticity -0.1500368E+01 Gb(Abramov) 0.7039138E-02 Vb(Abramov) -0.5233098E-02 Hb(Abramov) 0.1806040E-02 Ex_ueg -0.1406599E-02 Ec_ueg -0.3281587E-03 Delta_ex -0.1648681E-02 Delta_ec 0.5125687E-03 Delta_et -0.3544514E-02 Pxc 0.4286337E+01 Qxc -0.3216507E+01 3,+1 74 3 +1 0.498551 1.684366 0.500972 Rho 0.7733796E-02 |GRAD(Rho)| 0.8145845E-17 GRAD(Rho)x 0.2419148E-18 GRAD(Rho)y -0.3313255E-17 GRAD(Rho)z 0.7437647E-17 Laplacian 0.3028994E-01 (-1/4)Del**2(Rho)) -0.7572484E-02 Diamond 0.7089032E-03 Metallicity 0.6880753E+00 Ellipticity -0.1411044E+01 Gb(Abramov) 0.5916730E-02 Vb(Abramov) -0.4260975E-02 Hb(Abramov) 0.1655755E-02 Ex_ueg -0.1129558E-02 Ec_ueg -0.2663920E-03 Delta_ex -0.1351098E-02 Delta_ec 0.4331071E-03 Delta_et -0.2874523E-02 Pxc 0.4240211E+01 Qxc -0.3119548E+01 3,+1 75 3 -1 -1.865815 -1.705795 -0.550860 Rho 0.4590779E-01 |GRAD(Rho)| 0.1247468E-15 GRAD(Rho)x -0.9467711E-16 GRAD(Rho)y -0.6396094E-16 GRAD(Rho)z 0.5007013E-16 Laplacian 0.1882639E+00 (-1/4)Del**2(Rho)) -0.4706597E-01 Diamond 0.8668045E-01 Metallicity 0.2154385E+01 Ellipticity 0.1103876E-01 Gb(Abramov) 0.4827702E-01 Vb(Abramov) -0.4948807E-01 Hb(Abramov) -0.1211049E-02 Ex_ueg -0.1214041E-01 Ec_ueg -0.2189952E-02 Delta_ex -0.1525017E-01 Delta_ec 0.5759982E-02 Delta_et -0.5942143E-01 Pxc 0.5543690E+01 Qxc -0.2647607E+01 3,-1 76 3 -1 -3.154218 -1.964992 -0.840248 Rho 0.1693375E+00 |GRAD(Rho)| 0.2244095E-15 GRAD(Rho)x -0.3996640E-16 GRAD(Rho)y 0.1227588E-15 GRAD(Rho)z -0.1835554E-15 Laplacian 0.6595233E+00 (-1/4)Del**2(Rho)) -0.1648808E+00 Diamond 0.1527970E+01 Metallicity 0.5415495E+01 Ellipticity 0.9771476E-01 Gb(Abramov) 0.2587391E+00 Vb(Abramov) -0.3525973E+00 Hb(Abramov) -0.9385826E-01 Ex_ueg -0.6919199E-01 Ec_ueg -0.9692674E-02 Delta_ex -0.7283370E-01 Delta_ec 0.1595447E-01 Delta_et -0.2149657E+00 Pxc 0.7138586E+01 Qxc -0.4565097E+01 3,-1 77 3 -1 -2.865923 -1.774891 0.592579 Rho 0.1381342E+00 |GRAD(Rho)| 0.1748374E-15 GRAD(Rho)x -0.1247883E-15 GRAD(Rho)y -0.7128629E-16 GRAD(Rho)z -0.9957042E-16 Laplacian 0.5766138E+00 (-1/4)Del**2(Rho)) -0.1441535E+00 Diamond 0.1045283E+01 Metallicity 0.4411268E+01 Ellipticity 0.1851446E-01 Gb(Abramov) 0.2020856E+00 Vb(Abramov) -0.2600177E+00 Hb(Abramov) -0.5793210E-01 Ex_ueg -0.5273755E-01 Ec_ueg -0.7688314E-02 Delta_ex -0.6054228E-01 Delta_ec 0.1466911E-01 Delta_et -0.1924077E+00 Pxc 0.6859444E+01 Qxc -0.4127195E+01 3,-1 78 3 +1 -1.713645 -0.552848 0.555093 Rho 0.8996993E-02 |GRAD(Rho)| 0.5816866E-12 GRAD(Rho)x 0.3972937E-13 GRAD(Rho)y -0.3841664E-12 GRAD(Rho)z -0.4349679E-12 Laplacian 0.3442420E-01 (-1/4)Del**2(Rho)) -0.8606050E-02 Diamond 0.9895001E-03 Metallicity 0.7790732E+00 Ellipticity -0.1500735E+01 Gb(Abramov) 0.6854823E-02 Vb(Abramov) -0.5103597E-02 Hb(Abramov) 0.1751226E-02 Ex_ueg -0.1382022E-02 Ec_ueg -0.3227775E-03 Delta_ex -0.1594898E-02 Delta_ec 0.4918329E-03 Delta_et -0.3394883E-02 Pxc 0.4281655E+01 Qxc -0.3242765E+01 3,+1 79 3 -1 -2.790027 1.738924 -0.530459 Rho 0.1351980E+00 |GRAD(Rho)| 0.2816010E-15 GRAD(Rho)x -0.5002577E-16 GRAD(Rho)y -0.3951917E-16 GRAD(Rho)z -0.2742896E-15 Laplacian 0.5690527E+00 (-1/4)Del**2(Rho)) -0.1422632E+00 Diamond 0.1015537E+01 Metallicity 0.4312653E+01 Ellipticity 0.1670991E-01 Gb(Abramov) 0.1970974E+00 Vb(Abramov) -0.2519316E+00 Hb(Abramov) -0.5483423E-01 Ex_ueg -0.5124822E-01 Ec_ueg -0.7502817E-02 Delta_ex -0.5955365E-01 Delta_ec 0.1476215E-01 Delta_et -0.1934240E+00 Pxc 0.6830531E+01 Qxc -0.4034214E+01 3,-1 80 3 -1 -3.008339 1.944156 0.887481 Rho 0.1497920E+00 |GRAD(Rho)| 0.1393525E-15 GRAD(Rho)x -0.4828765E-16 GRAD(Rho)y 0.1220812E-15 GRAD(Rho)z 0.4672911E-16 Laplacian 0.5860815E+00 (-1/4)Del**2(Rho)) -0.1465204E+00 Diamond 0.1191027E+01 Metallicity 0.4967479E+01 Ellipticity 0.4518481E-01 Gb(Abramov) 0.2189864E+00 Vb(Abramov) -0.2914524E+00 Hb(Abramov) -0.7246602E-01 Ex_ueg -0.5875386E-01 Ec_ueg -0.8430198E-02 Delta_ex -0.6297116E-01 Delta_ec 0.1496999E-01 Delta_et -0.1994594E+00 Pxc 0.6969452E+01 Qxc -0.4206494E+01 3,-1 81 3 -1 -3.212473 3.138841 -0.044421 Rho 0.2468632E+00 |GRAD(Rho)| 0.8757381E-15 GRAD(Rho)x 0.6461845E-15 GRAD(Rho)y -0.5822166E-15 GRAD(Rho)z 0.1019150E-15 Laplacian 0.9101118E+00 (-1/4)Del**2(Rho)) -0.2275280E+00 Diamond 0.3310741E+01 Metallicity 0.7355501E+01 Ellipticity 0.2289494E-02 Gb(Abramov) 0.4306157E+00 Vb(Abramov) -0.6337034E+00 Hb(Abramov) -0.2030877E+00 Ex_ueg -0.1143739E+00 Ec_ueg -0.1491483E-01 Delta_ex -0.1106757E+00 Delta_ec 0.1976098E-01 Delta_et -0.2731532E+00 Pxc 0.7668464E+01 Qxc -0.5600719E+01 3,-1 82 3 -1 -2.126042 -3.026075 -0.774286 Rho 0.1255442E+00 |GRAD(Rho)| 0.1648764E-15 GRAD(Rho)x -0.3454539E-16 GRAD(Rho)y 0.1002006E-15 GRAD(Rho)z 0.1262960E-15 Laplacian 0.4468855E+00 (-1/4)Del**2(Rho)) -0.1117214E+00 Diamond 0.7456655E+00 Metallicity 0.4853757E+01 Ellipticity 0.1147264E+00 Gb(Abramov) 0.1648590E+00 Vb(Abramov) -0.2179966E+00 Hb(Abramov) -0.5313761E-01 Ex_ueg -0.4642807E-01 Ec_ueg -0.6896903E-02 Delta_ex -0.4614266E-01 Delta_ec 0.1216274E-01 Delta_et -0.1581142E+00 Pxc 0.6731727E+01 Qxc -0.3793771E+01 3,-1 83 3 +3 -1.955252 -1.960690 -1.874796 Rho 0.1070005E-01 |GRAD(Rho)| 0.8500036E-12 GRAD(Rho)x 0.2496368E-12 GRAD(Rho)y -0.7597896E-12 GRAD(Rho)z 0.2879364E-12 Laplacian 0.4817340E-01 (-1/4)Del**2(Rho)) -0.1204335E-01 Diamond 0.9087398E-03 Metallicity 0.7432165E+00 Ellipticity -0.4509329E+00 Gb(Abramov) 0.9520704E-02 Vb(Abramov) -0.6998056E-02 Hb(Abramov) 0.2522647E-02 Ex_ueg -0.1741403E-02 Ec_ueg -0.3998962E-03 Delta_ex -0.2048224E-02 Delta_ec 0.1798637E-03 Delta_et -0.1673039E-02 Pxc 0.4354638E+01 Qxc -0.1138765E+02 3,+3 84 3 +1 -0.571091 1.585464 -0.535577 Rho 0.9533594E-02 |GRAD(Rho)| 0.1359247E-14 GRAD(Rho)x 0.1253990E-14 GRAD(Rho)y -0.4251300E-15 GRAD(Rho)z -0.3071259E-15 Laplacian 0.3713538E-01 (-1/4)Del**2(Rho)) -0.9283845E-02 Diamond 0.1125177E-02 Metallicity 0.7954014E+00 Ellipticity -0.1470646E+01 Gb(Abramov) 0.7419961E-02 Vb(Abramov) -0.5556076E-02 Hb(Abramov) 0.1863885E-02 Ex_ueg -0.1493003E-02 Ec_ueg -0.3469429E-03 Delta_ex -0.1734240E-02 Delta_ec 0.5095159E-03 Delta_et -0.3585941E-02 Pxc 0.4303310E+01 Qxc -0.3403702E+01 3,+1 85 3 +3 -1.141283 1.061009 -1.165909 Rho 0.5599817E-02 |GRAD(Rho)| 0.3685966E-17 GRAD(Rho)x 0.3030543E-17 GRAD(Rho)y -0.2062032E-17 GRAD(Rho)z 0.3875275E-18 Laplacian 0.2186268E-01 (-1/4)Del**2(Rho)) -0.5465669E-02 Diamond 0.1732564E-03 Metallicity 0.5565867E+00 Ellipticity -0.2038203E+00 Gb(Abramov) 0.4150799E-02 Vb(Abramov) -0.2835929E-02 Hb(Abramov) 0.1314870E-02 Ex_ueg -0.7344295E-03 Ec_ueg -0.1728160E-03 Delta_ex -0.7755108E-03 Delta_ec 0.8906067E-04 Delta_et -0.7392928E-03 Pxc 0.4249778E+01 Qxc -0.8707669E+01 3,+3 86 3 +1 0.418612 -1.746884 -0.705974 Rho 0.7324323E-02 |GRAD(Rho)| 0.3543328E-13 GRAD(Rho)x 0.2670951E-13 GRAD(Rho)y -0.2294531E-13 GRAD(Rho)z -0.3953768E-14 Laplacian 0.2789915E-01 (-1/4)Del**2(Rho)) -0.6974788E-02 Diamond 0.7813148E-03 Metallicity 0.6822883E+00 Ellipticity -0.1860260E+01 Gb(Abramov) 0.5442995E-02 Vb(Abramov) -0.3911202E-02 Hb(Abramov) 0.1531793E-02 Ex_ueg -0.1050530E-02 Ec_ueg -0.2482695E-03 Delta_ex -0.1325329E-02 Delta_ec 0.5732433E-03 Delta_et -0.3605544E-02 Pxc 0.4231409E+01 Qxc -0.2311983E+01 3,+1 87 3 +1 -1.697157 0.532831 -0.497353 Rho 0.9832828E-02 |GRAD(Rho)| 0.8699074E-17 GRAD(Rho)x 0.2541853E-17 GRAD(Rho)y 0.7941642E-17 GRAD(Rho)z 0.2478547E-17 Laplacian 0.3785052E-01 (-1/4)Del**2(Rho)) -0.9462629E-02 Diamond 0.1201961E-02 Metallicity 0.8216220E+00 Ellipticity -0.1506956E+01 Gb(Abramov) 0.7604203E-02 Vb(Abramov) -0.5745778E-02 Hb(Abramov) 0.1858426E-02 Ex_ueg -0.1555809E-02 Ec_ueg -0.3604724E-03 Delta_ex -0.1783867E-02 Delta_ec 0.5231459E-03 Delta_et -0.3707761E-02 Pxc 0.4316028E+01 Qxc -0.3409883E+01 3,+1 88 3 +1 -1.756018 1.651200 -1.777393 Rho 0.1200383E-01 |GRAD(Rho)| 0.2726453E-15 GRAD(Rho)x 0.9383922E-16 GRAD(Rho)y -0.1232606E-15 GRAD(Rho)z -0.2243580E-15 Laplacian 0.5943536E-01 (-1/4)Del**2(Rho)) -0.1485884E-01 Diamond 0.2361236E-02 Metallicity 0.7296280E+00 Ellipticity -0.1256690E+01 Gb(Abramov) 0.1171280E-01 Vb(Abramov) -0.8566755E-02 Hb(Abramov) 0.3146042E-02 Ex_ueg -0.2029917E-02 Ec_ueg -0.4597460E-03 Delta_ex -0.2915577E-02 Delta_ec 0.7604380E-03 Delta_et -0.5710940E-02 Pxc 0.4415302E+01 Qxc -0.3834076E+01 3,+1 89 3 -1 -1.679605 -2.763147 -2.355446 Rho 0.2973952E-01 |GRAD(Rho)| 0.1444322E-15 GRAD(Rho)x -0.5105163E-16 GRAD(Rho)y -0.5938463E-16 GRAD(Rho)z 0.1213584E-15 Laplacian 0.8893994E-01 (-1/4)Del**2(Rho)) -0.2223499E-01 Diamond 0.3319630E-01 Metallicity 0.2211768E+01 Ellipticity 0.3177685E-01 Gb(Abramov) 0.2301976E-01 Vb(Abramov) -0.2380453E-01 Hb(Abramov) -0.7847746E-03 Ex_ueg -0.6805033E-02 Ec_ueg -0.1330179E-02 Delta_ex -0.7382850E-02 Delta_ec 0.4343150E-02 Delta_et -0.3970077E-01 Pxc 0.5115878E+01 Qxc -0.1699884E+01 3,-1 90 3 +3 -1.145839 -1.121011 1.142667 Rho 0.5240891E-02 |GRAD(Rho)| 0.3306729E-15 GRAD(Rho)x 0.2891580E-15 GRAD(Rho)y -0.1203947E-15 GRAD(Rho)z -0.1060061E-15 Laplacian 0.2031323E-01 (-1/4)Del**2(Rho)) -0.5078308E-02 Diamond 0.1498577E-03 Metallicity 0.5364255E+00 Ellipticity -0.1973774E+00 Gb(Abramov) 0.3839561E-02 Vb(Abramov) -0.2600814E-02 Hb(Abramov) 0.1238747E-02 Ex_ueg -0.6723446E-03 Ec_ueg -0.1572940E-03 Delta_ex -0.7097899E-03 Delta_ec 0.8723040E-04 Delta_et -0.7025942E-03 Pxc 0.4274445E+01 Qxc -0.8136956E+01 3,+3 91 3 +1 -1.755556 -1.742077 1.787252 Rho 0.1194885E-01 |GRAD(Rho)| 0.1738117E-16 GRAD(Rho)x 0.2627814E-17 GRAD(Rho)y 0.1055965E-16 GRAD(Rho)z 0.1355336E-16 Laplacian 0.5940576E-01 (-1/4)Del**2(Rho)) -0.1485144E-01 Diamond 0.2363876E-02 Metallicity 0.7244270E+00 Ellipticity -0.1261058E+01 Gb(Abramov) 0.1169409E-01 Vb(Abramov) -0.8536741E-02 Hb(Abramov) 0.3157349E-02 Ex_ueg -0.2017529E-02 Ec_ueg -0.4572081E-03 Delta_ex -0.2916006E-02 Delta_ec 0.7697272E-03 Delta_et -0.5766690E-02 Pxc 0.4412714E+01 Qxc -0.3788363E+01 3,+1 92 3 -1 -2.230336 -0.918260 -3.054002 Rho 0.1407647E+00 |GRAD(Rho)| 0.5003024E-15 GRAD(Rho)x 0.3451829E-16 GRAD(Rho)y -0.4838794E-15 GRAD(Rho)z -0.1223590E-15 Laplacian 0.5259281E+00 (-1/4)Del**2(Rho)) -0.1314820E+00 Diamond 0.1001976E+01 Metallicity 0.4990871E+01 Ellipticity 0.1360222E+00 Gb(Abramov) 0.1970230E+00 Vb(Abramov) -0.2625639E+00 Hb(Abramov) -0.6554096E-01 Ex_ueg -0.5408083E-01 Ec_ueg -0.7854968E-02 Delta_ex -0.5576529E-01 Delta_ec 0.1383519E-01 Delta_et -0.1830804E+00 Pxc 0.6884921E+01 Qxc -0.4030686E+01 3,-1 93 3 -1 -2.005035 2.963400 0.857486 Rho 0.1538746E+00 |GRAD(Rho)| 0.6193733E-13 GRAD(Rho)x 0.1391152E-13 GRAD(Rho)y -0.5909579E-13 GRAD(Rho)z -0.1226336E-13 Laplacian 0.6045618E+00 (-1/4)Del**2(Rho)) -0.1511405E+00 Diamond 0.1266431E+01 Metallicity 0.5036368E+01 Ellipticity 0.5075055E-01 Gb(Abramov) 0.2276268E+00 Vb(Abramov) -0.3041131E+00 Hb(Abramov) -0.7648634E-01 Ex_ueg -0.6089866E-01 Ec_ueg -0.8692006E-02 Delta_ex -0.6536383E-01 Delta_ec 0.1529654E-01 Delta_et -0.2044702E+00 Pxc 0.7006284E+01 Qxc -0.4273112E+01 3,-1 94 3 -1 -1.726597 -2.220492 -3.028185 Rho 0.3180103E+00 |GRAD(Rho)| 0.6121652E-15 GRAD(Rho)x -0.1808149E-15 GRAD(Rho)y 0.5705461E-15 GRAD(Rho)z -0.1285665E-15 Laplacian -0.1619249E+01 (-1/4)Del**2(Rho)) 0.4048123E+00 Diamond 0.5636746E+01 Metallicity -0.6305237E+01 Ellipticity 0.3021783E-02 Gb(Abramov) 0.1555314E+00 Vb(Abramov) -0.7158750E+00 Hb(Abramov) -0.5603437E+00 Ex_ueg -0.1603147E+00 Ec_ueg -0.1999879E-01 Delta_ex 0.1607820E+00 Delta_ec 0.5662465E-01 Delta_et -0.1340235E+01 Pxc 0.8016219E+01 Qxc 0.2839434E+01 3,-1 95 3 +1 -1.541783 -2.029753 -1.924973 Rho 0.1152223E-01 |GRAD(Rho)| 0.1991566E-16 GRAD(Rho)x 0.7376762E-17 GRAD(Rho)y 0.1584803E-16 GRAD(Rho)z 0.9542373E-17 Laplacian 0.5113934E-01 (-1/4)Del**2(Rho)) -0.1278483E-01 Diamond 0.1924676E-02 Metallicity 0.7920499E+00 Ellipticity -0.1353758E+01 Gb(Abramov) 0.1021093E-01 Vb(Abramov) -0.7637021E-02 Hb(Abramov) 0.2573907E-02 Ex_ueg -0.1922062E-02 Ec_ueg -0.4375588E-03 Delta_ex -0.2482863E-02 Delta_ec 0.6564525E-03 Delta_et -0.4879292E-02 Pxc 0.4392693E+01 Qxc -0.3782242E+01 3,+1 96 3 -1 -1.738550 1.682075 0.557391 Rho 0.5136615E-01 |GRAD(Rho)| 0.9355726E-16 GRAD(Rho)x -0.4578721E-16 GRAD(Rho)y 0.7910822E-16 GRAD(Rho)z -0.1995948E-16 Laplacian 0.2068210E+00 (-1/4)Del**2(Rho)) -0.5170525E-01 Diamond 0.1072780E+00 Metallicity 0.2364904E+01 Ellipticity 0.1332712E-01 Gb(Abramov) 0.5484983E-01 Vb(Abramov) -0.5799441E-01 Hb(Abramov) -0.3144577E-02 Ex_ueg -0.1410223E-01 Ec_ueg -0.2490528E-02 Delta_ex -0.1707853E-01 Delta_ec 0.6051434E-02 Delta_et -0.6422711E-01 Pxc 0.5662346E+01 Qxc -0.2822228E+01 3,-1 97 3 -1 -1.818254 2.694263 -0.552721 Rho 0.1317085E+00 |GRAD(Rho)| 0.2514677E-15 GRAD(Rho)x -0.1227859E-16 GRAD(Rho)y -0.5234325E-16 GRAD(Rho)z 0.2456531E-15 Laplacian 0.5554508E+00 (-1/4)Del**2(Rho)) -0.1388627E+00 Diamond 0.9664699E+00 Metallicity 0.4229842E+01 Ellipticity 0.1061389E-01 Gb(Abramov) 0.1904697E+00 Vb(Abramov) -0.2420766E+00 Hb(Abramov) -0.5160697E-01 Ex_ueg -0.4949222E-01 Ec_ueg -0.7283092E-02 Delta_ex -0.5783277E-01 Delta_ec 0.1462439E-01 Delta_et -0.1910677E+00 Pxc 0.6795496E+01 Qxc -0.3954542E+01 3,-1 98 3 -1 -1.972340 0.885965 3.034413 Rho 0.1497359E+00 |GRAD(Rho)| 0.3173467E-15 GRAD(Rho)x 0.2971934E-15 GRAD(Rho)y 0.5112013E-16 GRAD(Rho)z 0.9885213E-16 Laplacian 0.5895785E+00 (-1/4)Del**2(Rho)) -0.1473946E+00 Diamond 0.1197226E+01 Metallicity 0.4934936E+01 Ellipticity 0.4594280E-01 Gb(Abramov) 0.2194936E+00 Vb(Abramov) -0.2915926E+00 Hb(Abramov) -0.7209896E-01 Ex_ueg -0.5872455E-01 Ec_ueg -0.8426611E-02 Delta_ex -0.6333740E-01 Delta_ec 0.1505413E-01 Delta_et -0.2005550E+00 Pxc 0.6968940E+01 Qxc -0.4207309E+01 3,-1 99 3 +1 -0.206977 2.891198 0.166532 Rho 0.5485985E-02 |GRAD(Rho)| 0.2765584E-17 GRAD(Rho)x 0.1673117E-17 GRAD(Rho)y 0.1305955E-17 GRAD(Rho)z 0.1773025E-17 Laplacian 0.2284818E-01 (-1/4)Del**2(Rho)) -0.5712044E-02 Diamond 0.5620952E-03 Metallicity 0.5146587E+00 Ellipticity -0.2314217E+01 Gb(Abramov) 0.4297988E-02 Vb(Abramov) -0.2883932E-02 Hb(Abramov) 0.1414056E-02 Ex_ueg -0.7145915E-03 Ec_ueg -0.1678863E-03 Delta_ex -0.1122587E-02 Delta_ec 0.6586624E-03 Delta_et -0.3702344E-02 Pxc 0.4256402E+01 Qxc -0.1704344E+01 3,+1 100 3 -1 0.005376 -3.261748 -1.215209 Rho 0.2352760E-01 |GRAD(Rho)| 0.4207348E-16 GRAD(Rho)x -0.4135431E-16 GRAD(Rho)y -0.2705821E-17 GRAD(Rho)z -0.7257936E-17 Laplacian 0.7970631E-01 (-1/4)Del**2(Rho)) -0.1992658E-01 Diamond 0.2281094E-01 Metallicity 0.1670128E+01 Ellipticity 0.5897847E-02 Gb(Abramov) 0.1883104E-01 Vb(Abramov) -0.1773550E-01 Hb(Abramov) 0.1095537E-02 Ex_ueg -0.4979149E-02 Ec_ueg -0.1014870E-02 Delta_ex -0.6434740E-02 Delta_ec 0.4132453E-02 Delta_et -0.3517781E-01 Pxc 0.4906192E+01 Qxc -0.1557124E+01 3,-1 101 3 +1 0.068037 -2.939289 0.042338 Rho 0.4725203E-02 |GRAD(Rho)| 0.9897900E-17 GRAD(Rho)x 0.9703593E-17 GRAD(Rho)y 0.1774527E-17 GRAD(Rho)z -0.8122679E-18 Laplacian 0.1840465E-01 (-1/4)Del**2(Rho)) -0.4601162E-02 Diamond 0.4058956E-03 Metallicity 0.4981801E+00 Ellipticity -0.4010553E+01 Gb(Abramov) 0.3449476E-02 Vb(Abramov) -0.2297790E-02 Hb(Abramov) 0.1151686E-02 Ex_ueg -0.5856152E-03 Ec_ueg -0.1351064E-03 Delta_ex -0.9132865E-03 Delta_ec 0.5940249E-03 Delta_et -0.3165833E-02 Pxc 0.4334474E+01 Qxc -0.1537455E+01 3,+1 102 3 -1 -1.913252 -2.731133 0.554654 Rho 0.9328848E-01 |GRAD(Rho)| 0.2381914E-15 GRAD(Rho)x -0.2252803E-15 GRAD(Rho)y 0.4601930E-17 GRAD(Rho)z -0.7721891E-16 Laplacian 0.3832274E+00 (-1/4)Del**2(Rho)) -0.9580684E-01 Diamond 0.4366642E+00 Metallicity 0.3450404E+01 Ellipticity 0.1492379E-01 Gb(Abramov) 0.1189666E+00 Vb(Abramov) -0.1421264E+00 Hb(Abramov) -0.2315978E-01 Ex_ueg -0.3124801E-01 Ec_ueg -0.4920318E-02 Delta_ex -0.3671957E-01 Delta_ec 0.1079517E-01 Delta_et -0.1321634E+00 Pxc 0.6350812E+01 Qxc -0.3401481E+01 3,-1 103 3 +3 -0.072640 -2.391866 -0.129363 Rho 0.4082126E-02 |GRAD(Rho)| 0.7178061E-16 GRAD(Rho)x 0.3908106E-16 GRAD(Rho)y 0.5516716E-16 GRAD(Rho)z -0.2411869E-16 Laplacian 0.1616096E-01 (-1/4)Del**2(Rho)) -0.4040240E-02 Diamond 0.1216871E-03 Metallicity 0.4445870E+00 Ellipticity -0.4288983E+00 Gb(Abramov) 0.2992866E-02 Vb(Abramov) -0.1945493E-02 Hb(Abramov) 0.1047374E-02 Ex_ueg -0.4818372E-03 Ec_ueg -0.1076293E-03 Delta_ex -0.5719864E-03 Delta_ec 0.1497520E-03 Delta_et -0.9128484E-03 Pxc 0.4476820E+01 Qxc -0.3819558E+01 3,+3 104 3 -1 1.739914 1.708706 -0.514207 Rho 0.3733150E-01 |GRAD(Rho)| 0.1755093E-16 GRAD(Rho)x 0.2965674E-18 GRAD(Rho)y 0.9284434E-17 GRAD(Rho)z 0.1489116E-16 Laplacian 0.1524994E+00 (-1/4)Del**2(Rho)) -0.3812486E-01 Diamond 0.5275604E-01 Metallicity 0.1884245E+01 Ellipticity 0.1420067E-01 Gb(Abramov) 0.3738934E-01 Vb(Abramov) -0.3665381E-01 Hb(Abramov) 0.7355244E-03 Ex_ueg -0.9214795E-02 Ec_ueg -0.1727617E-02 Delta_ex -0.1172194E-01 Delta_ec 0.4643151E-02 Delta_et -0.4529662E-01 Pxc 0.5333819E+01 Qxc -0.2524565E+01 3,-1 105 3 -1 -0.285721 -1.406218 -3.239330 Rho 0.3942825E-02 |GRAD(Rho)| 0.4239702E-17 GRAD(Rho)x 0.4231011E-17 GRAD(Rho)y 0.1848175E-18 GRAD(Rho)z 0.1986462E-18 Laplacian 0.1497668E-01 (-1/4)Del**2(Rho)) -0.3744171E-02 Diamond 0.3802919E-03 Metallicity 0.4527690E+00 Ellipticity 0.9831219E-01 Gb(Abramov) 0.2778655E-02 Vb(Abramov) -0.1813139E-02 Hb(Abramov) 0.9655163E-03 Ex_ueg -0.4600395E-03 Ec_ueg -0.1017058E-03 Delta_ex -0.8730269E-03 Delta_ec 0.7593493E-03 Delta_et -0.3720700E-02 Pxc 0.4523235E+01 Qxc -0.1149704E+01 3,-1 106 3 +1 -1.053908 2.153472 1.403552 Rho 0.2727464E-01 |GRAD(Rho)| 0.3172344E-12 GRAD(Rho)x 0.1445623E-13 GRAD(Rho)y 0.3158349E-12 GRAD(Rho)z -0.2601923E-13 Laplacian 0.1075972E+00 (-1/4)Del**2(Rho)) -0.2689931E-01 Diamond 0.1461072E-01 Metallicity 0.1582743E+01 Ellipticity -0.2780228E+01 Gb(Abramov) 0.2502865E-01 Vb(Abramov) -0.2315800E-01 Hb(Abramov) 0.1870653E-02 Ex_ueg -0.6063598E-02 Ec_ueg -0.1203907E-02 Delta_ex -0.6728550E-02 Delta_ec 0.1609212E-02 Delta_et -0.1454467E-01 Pxc 0.5036601E+01 Qxc -0.4181270E+01 3,+1 107 3 -1 0.890037 1.953373 -2.972241 Rho 0.1415705E+00 |GRAD(Rho)| 0.6080667E-15 GRAD(Rho)x 0.3546290E-15 GRAD(Rho)y -0.3314948E-15 GRAD(Rho)z -0.3661893E-15 Laplacian 0.5545244E+00 (-1/4)Del**2(Rho)) -0.1386311E+00 Diamond 0.1053520E+01 Metallicity 0.4778746E+01 Ellipticity 0.3932233E-01 Gb(Abramov) 0.2028345E+00 Vb(Abramov) -0.2670380E+00 Hb(Abramov) -0.6420344E-01 Ex_ueg -0.5449403E-01 Ec_ueg -0.7906110E-02 Delta_ex -0.5876915E-01 Delta_ec 0.1437126E-01 Delta_et -0.1899345E+00 Pxc 0.6892647E+01 Qxc -0.4089351E+01 3,-1 108 3 +1 -0.343977 -1.300184 -2.721228 Rho 0.3479363E-02 |GRAD(Rho)| 0.3138457E-17 GRAD(Rho)x 0.2825921E-17 GRAD(Rho)y 0.1298530E-17 GRAD(Rho)z -0.4217813E-18 Laplacian 0.1379556E-01 (-1/4)Del**2(Rho)) -0.3448890E-02 Diamond 0.1519046E-03 Metallicity 0.3990617E+00 Ellipticity -0.1403235E+01 Gb(Abramov) 0.2528647E-02 Vb(Abramov) -0.1608403E-02 Hb(Abramov) 0.9202435E-03 Ex_ueg -0.3893899E-03 Ec_ueg -0.8207224E-04 Delta_ex -0.5718334E-03 Delta_ec 0.3112777E-03 Delta_et -0.1566473E-02 Pxc 0.4744478E+01 Qxc -0.1837052E+01 3,+1 109 3 +3 1.082027 1.099428 1.071916 Rho 0.4541343E-02 |GRAD(Rho)| 0.2750150E-16 GRAD(Rho)x 0.1038365E-16 GRAD(Rho)y -0.1908207E-16 GRAD(Rho)z -0.1686378E-16 Laplacian 0.1789562E-01 (-1/4)Del**2(Rho)) -0.4473905E-02 Diamond 0.1178212E-03 Metallicity 0.4795569E+00 Ellipticity -0.1666376E+00 Gb(Abramov) 0.3340186E-02 Vb(Abramov) -0.2206466E-02 Hb(Abramov) 0.1133720E-02 Ex_ueg -0.5554318E-03 Ec_ueg -0.1272286E-03 Delta_ex -0.6107652E-03 Delta_ec 0.9441580E-04 Delta_et -0.6895920E-03 Pxc 0.4365620E+01 Qxc -0.6468888E+01 3,+3 110 3 +1 2.964706 -0.090188 0.161206 Rho 0.4920244E-02 |GRAD(Rho)| 0.9963296E-17 GRAD(Rho)x 0.1165728E-18 GRAD(Rho)y -0.7620830E-17 GRAD(Rho)z 0.6416902E-17 Laplacian 0.1991282E-01 (-1/4)Del**2(Rho)) -0.4978204E-02 Diamond 0.4648070E-03 Metallicity 0.4925589E+00 Ellipticity -0.3527933E+01 Gb(Abramov) 0.3727479E-02 Vb(Abramov) -0.2476754E-02 Hb(Abramov) 0.1250725E-02 Ex_ueg -0.6180647E-03 Ec_ueg -0.1434822E-03 Delta_ex -0.9968186E-03 Delta_ec 0.6446009E-03 Delta_et -0.3476745E-02 Pxc 0.4307605E+01 Qxc -0.1546412E+01 3,+1 111 3 +1 2.175037 -1.431007 1.016906 Rho 0.2545395E-01 |GRAD(Rho)| 0.9808870E-16 GRAD(Rho)x -0.2567520E-16 GRAD(Rho)y -0.1588863E-16 GRAD(Rho)z 0.9332592E-16 Laplacian 0.9866391E-01 (-1/4)Del**2(Rho)) -0.2466598E-01 Diamond 0.1179040E-01 Metallicity 0.1538321E+01 Ellipticity -0.2460418E+01 Gb(Abramov) 0.2276801E-01 Vb(Abramov) -0.2087005E-01 Hb(Abramov) 0.1897962E-02 Ex_ueg -0.5530003E-02 Ec_ueg -0.1111597E-02 Delta_ex -0.6013531E-02 Delta_ec 0.1402134E-02 Delta_et -0.1249104E-01 Pxc 0.4974827E+01 Qxc -0.4288841E+01 3,+1 112 3 +3 0.045463 -0.029120 2.315659 Rho 0.4534333E-02 |GRAD(Rho)| 0.2568041E-15 GRAD(Rho)x 0.1064859E-15 GRAD(Rho)y -0.2256896E-15 GRAD(Rho)z 0.6060748E-16 Laplacian 0.1853774E-01 (-1/4)Del**2(Rho)) -0.4634435E-02 Diamond 0.1568206E-03 Metallicity 0.4617555E+00 Ellipticity -0.3292058E+00 Gb(Abramov) 0.3446286E-02 Vb(Abramov) -0.2258137E-02 Hb(Abramov) 0.1188149E-02 Ex_ueg -0.5542890E-03 Ec_ueg -0.1269286E-03 Delta_ex -0.6694696E-03 Delta_ec 0.1639619E-03 Delta_et -0.1036007E-02 Pxc 0.4366935E+01 Qxc -0.4083082E+01 3,+3 113 3 +1 0.524917 0.489195 1.668217 Rho 0.8002227E-02 |GRAD(Rho)| 0.2743060E-14 GRAD(Rho)x 0.2356019E-14 GRAD(Rho)y -0.1107446E-14 GRAD(Rho)z 0.8643595E-15 Laplacian 0.3170999E-01 (-1/4)Del**2(Rho)) -0.7927497E-02 Diamond 0.7771713E-03 Metallicity 0.6957212E+00 Ellipticity -0.1411572E+01 Gb(Abramov) 0.6204219E-02 Vb(Abramov) -0.4480941E-02 Hb(Abramov) 0.1723278E-02 Ex_ueg -0.1182133E-02 Ec_ueg -0.2783140E-03 Delta_ex -0.1426456E-02 Delta_ec 0.4532004E-03 Delta_et -0.3034822E-02 Pxc 0.4247479E+01 Qxc -0.3147518E+01 3,+1 114 3 +3 -2.371836 -0.016426 0.062840 Rho 0.4937726E-02 |GRAD(Rho)| 0.6354606E-16 GRAD(Rho)x 0.3939824E-16 GRAD(Rho)y 0.4903739E-16 GRAD(Rho)z 0.9011962E-17 Laplacian 0.2026681E-01 (-1/4)Del**2(Rho)) -0.5066703E-02 Diamond 0.2023199E-03 Metallicity 0.4868247E+00 Ellipticity -0.3145701E+00 Gb(Abramov) 0.3788901E-02 Vb(Abramov) -0.2511100E-02 Hb(Abramov) 0.1277802E-02 Ex_ueg -0.6209944E-03 Ec_ueg -0.1442339E-03 Delta_ex -0.7574462E-03 Delta_ec 0.1958181E-03 Delta_et -0.1238554E-02 Pxc 0.4305469E+01 Qxc -0.3868112E+01 3,+3 115 3 -1 -0.883262 -3.431278 -1.268741 Rho 0.3246594E+00 |GRAD(Rho)| 0.1970009E-12 GRAD(Rho)x 0.6849395E-14 GRAD(Rho)y -0.1190895E-12 GRAD(Rho)z -0.1567805E-12 Laplacian -0.1687873E+01 (-1/4)Del**2(Rho)) 0.4219682E+00 Diamond 0.5886404E+01 Metallicity -0.6261140E+01 Ellipticity 0.5080799E-02 Gb(Abramov) 0.1590215E+00 Vb(Abramov) -0.7400113E+00 Hb(Abramov) -0.5809897E+00 Ex_ueg -0.1647994E+00 Ec_ueg -0.2048825E-01 Delta_ex 0.1694512E+00 Delta_ec 0.5815364E-01 Delta_et -0.1391362E+01 Pxc 0.8043607E+01 Qxc 0.2913853E+01 3,-1 116 3 -1 0.506422 -1.773536 1.681820 Rho 0.4481911E-01 |GRAD(Rho)| 0.8738758E-11 GRAD(Rho)x -0.5209915E-12 GRAD(Rho)y 0.6172343E-11 GRAD(Rho)z -0.6164142E-11 Laplacian 0.1846778E+00 (-1/4)Del**2(Rho)) -0.4616946E-01 Diamond 0.8224942E-01 Metallicity 0.2110104E+01 Ellipticity 0.1109944E-01 Gb(Abramov) 0.4701670E-01 Vb(Abramov) -0.4786394E-01 Hb(Abramov) -0.8472391E-03 Ex_ueg -0.1175807E-01 Ec_ueg -0.2130561E-02 Delta_ex -0.1486811E-01 Delta_ec 0.5646638E-02 Delta_et -0.5787949E-01 Pxc 0.5518768E+01 Qxc -0.2633091E+01 3,-1 117 3 -1 -0.528469 1.750568 -2.779487 Rho 0.1140968E+00 |GRAD(Rho)| 0.1707259E-15 GRAD(Rho)x 0.1414206E-15 GRAD(Rho)y 0.1341700E-17 GRAD(Rho)z 0.9563341E-16 Laplacian 0.4775793E+00 (-1/4)Del**2(Rho)) -0.1193948E+00 Diamond 0.6999742E+00 Metallicity 0.3872787E+01 Ellipticity 0.1418851E-01 Gb(Abramov) 0.1566617E+00 Vb(Abramov) -0.1939285E+00 Hb(Abramov) -0.3726684E-01 Ex_ueg -0.4087111E-01 Ec_ueg -0.6186629E-02 Delta_ex -0.4805887E-01 Delta_ec 0.1302261E-01 Delta_et -0.1660174E+00 Pxc 0.6606362E+01 Qxc -0.3690418E+01 3,-1 118 3 -1 -0.520444 1.725475 1.735621 Rho 0.4171233E-01 |GRAD(Rho)| 0.1637000E-13 GRAD(Rho)x 0.6100509E-14 GRAD(Rho)y 0.1098781E-13 GRAD(Rho)z 0.1048946E-13 Laplacian 0.1725390E+00 (-1/4)Del**2(Rho)) -0.4313475E-01 Diamond 0.6967856E-01 Metallicity 0.2003703E+01 Ellipticity 0.1280024E-01 Gb(Abramov) 0.4316137E-01 Vb(Abramov) -0.4318799E-01 Hb(Abramov) -0.2662119E-04 Ex_ueg -0.1068409E-01 Ec_ueg -0.1962163E-02 Delta_ex -0.1364483E-01 Delta_ec 0.5276396E-02 Delta_et -0.5305107E-01 Pxc 0.5445060E+01 Qxc -0.2586013E+01 3,-1 119 3 +1 -0.120809 0.153577 2.918228 Rho 0.5385107E-02 |GRAD(Rho)| 0.3387942E-16 GRAD(Rho)x -0.1982138E-16 GRAD(Rho)y 0.2747234E-16 GRAD(Rho)z -0.4450449E-18 Laplacian 0.2200501E-01 (-1/4)Del**2(Rho)) -0.5501252E-02 Diamond 0.5977276E-03 Metallicity 0.5181023E+00 Ellipticity -0.7566758E+01 Gb(Abramov) 0.4142537E-02 Vb(Abramov) -0.2783821E-02 Hb(Abramov) 0.1358716E-02 Ex_ueg -0.6971253E-03 Ec_ueg -0.1635230E-03 Delta_ex -0.1135778E-02 Delta_ec 0.7390699E-03 Delta_et -0.4085650E-02 Pxc 0.4263164E+01 Qxc -0.1536767E+01 3,+1 120 3 +1 2.175847 1.134883 -1.308726 Rho 0.2519184E-01 |GRAD(Rho)| 0.2199615E-16 GRAD(Rho)x 0.1900249E-16 GRAD(Rho)y 0.9933661E-17 GRAD(Rho)z -0.4904933E-17 Laplacian 0.1011332E+00 (-1/4)Del**2(Rho)) -0.2528329E-01 Diamond 0.1487375E-01 Metallicity 0.1475093E+01 Ellipticity -0.8289594E+01 Gb(Abramov) 0.2307140E-01 Vb(Abramov) -0.2085950E-01 Hb(Abramov) 0.2211898E-02 Ex_ueg -0.5454206E-02 Ec_ueg -0.1098378E-02 Delta_ex -0.6464773E-02 Delta_ec 0.2005351E-02 Delta_et -0.1766921E-01 Pxc 0.4965692E+01 Qxc -0.3223761E+01 3,+1 121 3 -1 -0.838630 2.026476 2.991056 Rho 0.1231941E+00 |GRAD(Rho)| 0.5958497E-15 GRAD(Rho)x 0.4044277E-15 GRAD(Rho)y 0.4375162E-15 GRAD(Rho)z -0.7386127E-17 Laplacian 0.4835441E+00 (-1/4)Del**2(Rho)) -0.1208860E+00 Diamond 0.7682422E+00 Metallicity 0.4346705E+01 Ellipticity 0.3965462E-01 Gb(Abramov) 0.1681666E+00 Vb(Abramov) -0.2154473E+00 Hb(Abramov) -0.4728063E-01 Ex_ueg -0.4527288E-01 Ec_ueg -0.6750343E-02 Delta_ex -0.4943846E-01 Delta_ec 0.1274521E-01 Delta_et -0.1643511E+00 Pxc 0.6706753E+01 Qxc -0.3878984E+01 3,-1 122 3 +1 1.917301 -1.765732 -1.729096 Rho 0.1381599E-01 |GRAD(Rho)| 0.5042056E-13 GRAD(Rho)x 0.1414404E-13 GRAD(Rho)y -0.2174833E-13 GRAD(Rho)z 0.4323412E-13 Laplacian 0.6566765E-01 (-1/4)Del**2(Rho)) -0.1641691E-01 Diamond 0.3243534E-02 Metallicity 0.8347668E+00 Ellipticity -0.1383019E+01 Gb(Abramov) 0.1322866E-01 Vb(Abramov) -0.1004040E-01 Hb(Abramov) 0.3188255E-02 Ex_ueg -0.2448468E-02 Ec_ueg -0.5440374E-03 Delta_ex -0.3362885E-02 Delta_ec 0.8739881E-03 Delta_et -0.6766352E-02 Pxc 0.4500552E+01 Qxc -0.3847746E+01 3,+1 123 3 -1 -0.562145 -1.827036 2.767801 Rho 0.1137799E+00 |GRAD(Rho)| 0.1223042E-15 GRAD(Rho)x -0.4460814E-16 GRAD(Rho)y -0.1133669E-15 GRAD(Rho)z 0.1078781E-16 Laplacian 0.4710608E+00 (-1/4)Del**2(Rho)) -0.1177652E+00 Diamond 0.6807621E+00 Metallicity 0.3908221E+01 Ellipticity 0.9651000E-02 Gb(Abramov) 0.1552189E+00 Vb(Abramov) -0.1926725E+00 Hb(Abramov) -0.3745367E-01 Ex_ueg -0.4071984E-01 Ec_ueg -0.6167099E-02 Delta_ex -0.4726589E-01 Delta_ec 0.1266405E-01 Delta_et -0.1610805E+00 Pxc 0.6602753E+01 Qxc -0.3732288E+01 3,-1 124 3 +1 -0.186023 -2.318864 -1.114680 Rho 0.7297094E-02 |GRAD(Rho)| 0.3876668E-14 GRAD(Rho)x -0.2360300E-15 GRAD(Rho)y -0.3838430E-14 GRAD(Rho)z -0.4891815E-15 Laplacian 0.2864442E-01 (-1/4)Del**2(Rho)) -0.7161106E-02 Diamond 0.7902465E-03 Metallicity 0.6604242E+00 Ellipticity -0.1729758E+01 Gb(Abramov) 0.5562298E-02 Vb(Abramov) -0.3963491E-02 Hb(Abramov) 0.1598807E-02 Ex_ueg -0.1045326E-02 Ec_ueg -0.2470672E-03 Delta_ex -0.1355131E-02 Delta_ec 0.5806392E-03 Delta_et -0.3652848E-02 Pxc 0.4230937E+01 Qxc -0.2333861E+01 3,+1 125 3 -1 0.138312 -1.980615 -1.050441 Rho 0.7954277E-02 |GRAD(Rho)| 0.1946402E-17 GRAD(Rho)x 0.1699239E-17 GRAD(Rho)y 0.9480321E-18 GRAD(Rho)z 0.4798232E-19 Laplacian 0.3041453E-01 (-1/4)Del**2(Rho)) -0.7603631E-02 Diamond 0.1505395E-02 Metallicity 0.7181248E+00 Ellipticity 0.5417997E+00 Gb(Abramov) 0.5979147E-02 Vb(Abramov) -0.4354663E-02 Hb(Abramov) 0.1624484E-02 Ex_ueg -0.1172697E-02 Ec_ueg -0.2761819E-03 Delta_ex -0.1749145E-02 Delta_ec 0.1118541E-02 Delta_et -0.6919068E-02 Pxc 0.4246105E+01 Qxc -0.1563773E+01 3,-1 126 3 -1 0.246752 -1.186309 -1.911794 Rho 0.6450877E-02 |GRAD(Rho)| 0.1038365E-16 GRAD(Rho)x -0.2968695E-17 GRAD(Rho)y 0.2766144E-17 GRAD(Rho)z 0.9558007E-17 Laplacian 0.2550918E-01 (-1/4)Del**2(Rho)) -0.6377295E-02 Diamond 0.9849985E-03 Metallicity 0.6038762E+00 Ellipticity 0.4490931E+00 Gb(Abramov) 0.4893380E-02 Vb(Abramov) -0.3409464E-02 Hb(Abramov) 0.1483916E-02 Ex_ueg -0.8869042E-03 Ec_ueg -0.2098745E-03 Delta_ex -0.1430568E-02 Delta_ec 0.9766557E-03 Delta_et -0.5657143E-02 Pxc 0.4225879E+01 Qxc -0.1464762E+01 3,-1 127 3 +1 0.156871 2.886918 -0.189242 Rho 0.5525036E-02 |GRAD(Rho)| 0.3471311E-16 GRAD(Rho)x 0.1818190E-16 GRAD(Rho)y 0.2353696E-17 GRAD(Rho)z -0.2947674E-16 Laplacian 0.2280669E-01 (-1/4)Del**2(Rho)) -0.5701672E-02 Diamond 0.5852039E-03 Metallicity 0.5217264E+00 Ellipticity -0.2804746E+01 Gb(Abramov) 0.4296900E-02 Vb(Abramov) -0.2892128E-02 Hb(Abramov) 0.1404772E-02 Ex_ueg -0.7213819E-03 Ec_ueg -0.1695768E-03 Delta_ex -0.1137390E-02 Delta_ec 0.6846720E-03 Delta_et -0.3844789E-02 Pxc 0.4254014E+01 Qxc -0.1661220E+01 3,+1 128 3 -1 -0.000192 2.891219 -0.038536 Rho 0.5557947E-02 |GRAD(Rho)| 0.6656773E-14 GRAD(Rho)x 0.3998685E-14 GRAD(Rho)y 0.1978990E-14 GRAD(Rho)z -0.4940319E-14 Laplacian 0.2231937E-01 (-1/4)Del**2(Rho)) -0.5579842E-02 Diamond 0.6968829E-03 Metallicity 0.5384210E+00 Ellipticity 0.2561923E+01 Gb(Abramov) 0.4220612E-02 Vb(Abramov) -0.2861382E-02 Hb(Abramov) 0.1359230E-02 Ex_ueg -0.7271170E-03 Ec_ueg -0.1710020E-03 Delta_ex -0.1210841E-02 Delta_ec 0.8422205E-03 Delta_et -0.4665829E-02 Pxc 0.4252096E+01 Qxc -0.1437677E+01 3,-1 129 3 +3 -0.005762 2.274046 0.017542 Rho 0.4689706E-02 |GRAD(Rho)| 0.1150278E-15 GRAD(Rho)x 0.6879382E-16 GRAD(Rho)y -0.8295764E-16 GRAD(Rho)z -0.4020976E-16 Laplacian 0.1919258E-01 (-1/4)Del**2(Rho)) -0.4798144E-02 Diamond 0.1690441E-03 Metallicity 0.4717615E+00 Ellipticity -0.2892337E+00 Gb(Abramov) 0.3576026E-02 Vb(Abramov) -0.2353908E-02 Hb(Abramov) 0.1222118E-02 Ex_ueg -0.5797568E-03 Ec_ueg -0.1335841E-03 Delta_ex -0.6982218E-03 Delta_ec 0.1680964E-03 Delta_et -0.1073033E-02 Pxc 0.4340013E+01 Qxc -0.4153699E+01 3,+3 130 3 +1 1.701652 -0.545374 -0.545262 Rho 0.8032328E-02 |GRAD(Rho)| 0.9274005E-13 GRAD(Rho)x -0.7552294E-13 GRAD(Rho)y 0.8245038E-14 GRAD(Rho)z 0.5318855E-13 Laplacian 0.3128339E-01 (-1/4)Del**2(Rho)) -0.7820847E-02 Diamond 0.7588806E-03 Metallicity 0.7096351E+00 Ellipticity -0.1413832E+01 Gb(Abramov) 0.6138890E-02 Vb(Abramov) -0.4456932E-02 Hb(Abramov) 0.1681958E-02 Ex_ueg -0.1188065E-02 Ec_ueg -0.2796529E-03 Delta_ex -0.1402786E-02 Delta_ec 0.4367376E-03 Delta_et -0.2935887E-02 Pxc 0.4248357E+01 Qxc -0.3211965E+01 3,+1 131 3 -1 1.799829 0.540614 2.782395 Rho 0.1161929E+00 |GRAD(Rho)| 0.5983527E-15 GRAD(Rho)x 0.2718637E-15 GRAD(Rho)y -0.5326482E-15 GRAD(Rho)z -0.2005096E-16 Laplacian 0.4885220E+00 (-1/4)Del**2(Rho)) -0.1221305E+00 Diamond 0.7322955E+00 Metallicity 0.3902670E+01 Ellipticity 0.1783740E-01 Gb(Abramov) 0.1608595E+00 Vb(Abramov) -0.1995885E+00 Hb(Abramov) -0.3872901E-01 Ex_ueg -0.4187531E-01 Ec_ueg -0.6315997E-02 Delta_ex -0.4937840E-01 Delta_ec 0.1327602E-01 Delta_et -0.1698242E+00 Pxc 0.6630039E+01 Qxc -0.3719367E+01 3,-1 132 3 +1 0.486749 -0.773889 -1.759267 Rho 0.5941379E-02 |GRAD(Rho)| 0.2300338E-12 GRAD(Rho)x -0.8305574E-13 GRAD(Rho)y -0.2034041E-12 GRAD(Rho)z -0.6814740E-13 Laplacian 0.2311372E-01 (-1/4)Del**2(Rho)) -0.5778431E-02 Diamond 0.5124722E-03 Metallicity 0.5810613E+00 Ellipticity -0.1743033E+01 Gb(Abramov) 0.4411891E-02 Vb(Abramov) -0.3045351E-02 Hb(Abramov) 0.1366540E-02 Ex_ueg -0.7947576E-03 Ec_ueg -0.1876464E-03 Delta_ex -0.1065163E-02 Delta_ec 0.5074536E-03 Delta_et -0.2989219E-02 Pxc 0.4235400E+01 Qxc -0.2099036E+01 3,+1 133 3 +1 0.164945 -0.137095 2.946085 Rho 0.5316623E-02 |GRAD(Rho)| 0.6933983E-17 GRAD(Rho)x 0.4712960E-17 GRAD(Rho)y -0.4711831E-17 GRAD(Rho)z -0.1914882E-17 Laplacian 0.2178134E-01 (-1/4)Del**2(Rho)) -0.5445335E-02 Diamond 0.5212508E-03 Metallicity 0.5123755E+00 Ellipticity -0.2446244E+01 Gb(Abramov) 0.4095233E-02 Vb(Abramov) -0.2745131E-02 Hb(Abramov) 0.1350102E-02 Ex_ueg -0.6853298E-03 Ec_ueg -0.1605637E-03 Delta_ex -0.1069898E-02 Delta_ec 0.6394330E-03 Delta_et -0.3555886E-02 Pxc 0.4268272E+01 Qxc -0.1673198E+01 3,+1 134 3 -1 -0.028418 3.157131 -3.167382 Rho 0.2469934E+00 |GRAD(Rho)| 0.5892485E-15 GRAD(Rho)x -0.6930762E-16 GRAD(Rho)y 0.4224052E-15 GRAD(Rho)z -0.4049495E-15 Laplacian 0.9179739E+00 (-1/4)Del**2(Rho)) -0.2294935E+00 Diamond 0.3336455E+01 Metallicity 0.7298915E+01 Ellipticity 0.2645993E-02 Gb(Abramov) 0.4321712E+00 Vb(Abramov) -0.6348489E+00 Hb(Abramov) -0.2026777E+00 Ex_ueg -0.1144543E+00 Ec_ueg -0.1492388E-01 Delta_ex -0.1116216E+00 Delta_ec 0.1988272E-01 Delta_et -0.2746276E+00 Pxc 0.7669203E+01 Qxc -0.5614000E+01 3,-1 135 3 -1 0.089345 3.219268 3.177017 Rho 0.2365157E+00 |GRAD(Rho)| 0.1704544E-15 GRAD(Rho)x -0.6099992E-16 GRAD(Rho)y -0.1495115E-15 GRAD(Rho)z 0.5458958E-16 Laplacian 0.8476901E+00 (-1/4)Del**2(Rho)) -0.2119225E+00 Diamond 0.2957841E+01 Metallicity 0.7353194E+01 Ellipticity 0.2263271E-02 Gb(Abramov) 0.4009996E+00 Vb(Abramov) -0.5900767E+00 Hb(Abramov) -0.1890771E+00 Ex_ueg -0.1080268E+00 Ec_ueg -0.1419859E-01 Delta_ex -0.1020938E+00 Delta_ec 0.1892464E-01 Delta_et -0.2625101E+00 Pxc 0.7608282E+01 Qxc -0.5394754E+01 3,-1 136 3 -1 0.544418 1.687683 -1.712666 Rho 0.5484632E-01 |GRAD(Rho)| 0.1417220E-15 GRAD(Rho)x 0.5866847E-16 GRAD(Rho)y 0.4918805E-16 GRAD(Rho)z -0.1192631E-15 Laplacian 0.2216620E+00 (-1/4)Del**2(Rho)) -0.5541549E-01 Diamond 0.1264926E+00 Metallicity 0.2461319E+01 Ellipticity 0.1457958E-01 Gb(Abramov) 0.5967619E-01 Vb(Abramov) -0.6393689E-01 Hb(Abramov) -0.4260701E-02 Ex_ueg -0.1539035E-01 Ec_ueg -0.2684461E-02 Delta_ex -0.1864146E-01 Delta_ec 0.6536557E-02 Delta_et -0.7057577E-01 Pxc 0.5733123E+01 Qxc -0.2851877E+01 3,-1 137 3 -1 0.423016 0.419401 -0.504955 Rho 0.1811333E+00 |GRAD(Rho)| 0.1448053E-15 GRAD(Rho)x 0.1006140E-15 GRAD(Rho)y -0.9020562E-16 GRAD(Rho)z -0.5204170E-16 Laplacian 0.4840815E+00 (-1/4)Del**2(Rho)) -0.1210204E+00 Diamond 0.1253599E+01 Metallicity 0.8254519E+01 Ellipticity 0.4274254E-02 Gb(Abramov) 0.2471744E+00 Vb(Abramov) -0.3733285E+00 Hb(Abramov) -0.1261540E+00 Ex_ueg -0.7569190E-01 Ec_ueg -0.1046547E-01 Delta_ex -0.5466388E-01 Delta_ec 0.1202507E-01 Delta_et -0.1647698E+00 Pxc 0.7232539E+01 Qxc -0.4545825E+01 3,-1 138 3 +1 1.667487 0.520773 0.531557 Rho 0.7596753E-02 |GRAD(Rho)| 0.7190666E-15 GRAD(Rho)x -0.5061401E-15 GRAD(Rho)y -0.3173100E-15 GRAD(Rho)z -0.4002416E-15 Laplacian 0.2993360E-01 (-1/4)Del**2(Rho)) -0.7483400E-02 Diamond 0.6912858E-03 Metallicity 0.6758250E+00 Ellipticity -0.1409115E+01 Gb(Abramov) 0.5831845E-02 Vb(Abramov) -0.4180290E-02 Hb(Abramov) 0.1651555E-02 Ex_ueg -0.1102950E-02 Ec_ueg -0.2603182E-03 Delta_ex -0.1333272E-02 Delta_ec 0.4351836E-03 Delta_et -0.2868970E-02 Pxc 0.4236930E+01 Qxc -0.3063700E+01 3,+1 139 3 +1 1.725012 1.809806 1.744595 Rho 0.1223736E-01 |GRAD(Rho)| 0.2306640E-16 GRAD(Rho)x -0.2030545E-16 GRAD(Rho)y 0.9498899E-17 GRAD(Rho)z 0.5433105E-17 Laplacian 0.6127690E-01 (-1/4)Del**2(Rho)) -0.1531923E-01 Diamond 0.2515301E-02 Metallicity 0.7307952E+00 Ellipticity -0.1259029E+01 Gb(Abramov) 0.1207869E-01 Vb(Abramov) -0.8838147E-02 Hb(Abramov) 0.3240539E-02 Ex_ueg -0.2082741E-02 Ec_ueg -0.4705372E-03 Delta_ex -0.3025692E-02 Delta_ec 0.7918886E-03 Delta_et -0.5968982E-02 Pxc 0.4426303E+01 Qxc -0.3820855E+01 3,+1 140 3 -1 0.861898 -3.014852 1.984612 Rho 0.1412250E+00 |GRAD(Rho)| 0.5451005E-16 GRAD(Rho)x 0.2817570E-16 GRAD(Rho)y 0.4580077E-16 GRAD(Rho)z 0.8931115E-17 Laplacian 0.5474520E+00 (-1/4)Del**2(Rho)) -0.1368630E+00 Diamond 0.1024197E+01 Metallicity 0.4820804E+01 Ellipticity 0.6503468E-01 Gb(Abramov) 0.2012070E+00 Vb(Abramov) -0.2655509E+00 Hb(Abramov) -0.6434396E-01 Ex_ueg -0.5431673E-01 Ec_ueg -0.7884173E-02 Delta_ex -0.5784651E-01 Delta_ec 0.1394900E-01 Delta_et -0.1837672E+00 Pxc 0.6889338E+01 Qxc -0.4147000E+01 3,-1 141 3 -1 0.808920 -2.004477 2.968490 Rho 0.1081010E+00 |GRAD(Rho)| 0.8720778E-14 GRAD(Rho)x -0.1280450E-14 GRAD(Rho)y -0.4446022E-14 GRAD(Rho)z 0.7392246E-14 Laplacian 0.4208105E+00 (-1/4)Del**2(Rho)) -0.1052026E+00 Diamond 0.5710914E+00 Metallicity 0.4017068E+01 Ellipticity 0.2309911E-01 Gb(Abramov) 0.1405694E+00 Vb(Abramov) -0.1759363E+00 Hb(Abramov) -0.3536681E-01 Ex_ueg -0.3803276E-01 Ec_ueg -0.5818339E-02 Delta_ex -0.4170498E-01 Delta_ec 0.1142723E-01 Delta_et -0.1439606E+00 Pxc 0.6536703E+01 Qxc -0.3649616E+01 3,-1 142 3 +1 0.332930 -1.579017 -1.652170 Rho 0.6039944E-02 |GRAD(Rho)| 0.1029976E-16 GRAD(Rho)x 0.3166874E-17 GRAD(Rho)y -0.8772736E-17 GRAD(Rho)z -0.4369795E-17 Laplacian 0.2372509E-01 (-1/4)Del**2(Rho)) -0.5931271E-02 Diamond 0.5768315E-03 Metallicity 0.5818266E+00 Ellipticity -0.1945186E+01 Gb(Abramov) 0.4529343E-02 Vb(Abramov) -0.3127414E-02 Hb(Abramov) 0.1401929E-02 Ex_ueg -0.8123858E-03 Ec_ueg -0.1919368E-03 Delta_ex -0.1125463E-02 Delta_ec 0.5711187E-03 Delta_et -0.3351712E-02 Pxc 0.4232570E+01 Qxc -0.1970629E+01 3,+1 143 3 -1 1.809161 2.797018 0.566764 Rho 0.1275576E+00 |GRAD(Rho)| 0.1655123E-15 GRAD(Rho)x 0.6842671E-16 GRAD(Rho)y -0.7337677E-16 GRAD(Rho)z -0.1316357E-15 Laplacian 0.5296721E+00 (-1/4)Del**2(Rho)) -0.1324180E+00 Diamond 0.8746830E+00 Metallicity 0.4205166E+01 Ellipticity 0.5869547E-02 Gb(Abramov) 0.1810853E+00 Vb(Abramov) -0.2297526E+00 Hb(Abramov) -0.4866729E-01 Ex_ueg -0.4742348E-01 Ec_ueg -0.7022760E-02 Delta_ex -0.5457513E-01 Delta_ec 0.1378436E-01 Delta_et -0.1786674E+00 Pxc 0.6752827E+01 Qxc -0.3959208E+01 3,-1 144 3 -1 0.574021 1.835061 2.764408 Rho 0.1510750E+00 |GRAD(Rho)| 0.1330600E-14 GRAD(Rho)x 0.1091521E-14 GRAD(Rho)y -0.7483570E-15 GRAD(Rho)z 0.1379918E-15 Laplacian 0.6347350E+00 (-1/4)Del**2(Rho)) -0.1586837E+00 Diamond 0.1274467E+01 Metallicity 0.4652380E+01 Ellipticity 0.2506586E-01 Gb(Abramov) 0.2288320E+00 Vb(Abramov) -0.2989803E+00 Hb(Abramov) -0.7014827E-01 Ex_ueg -0.5942584E-01 Ec_ueg -0.8512367E-02 Delta_ex -0.6805838E-01 Delta_ec 0.1567263E-01 Delta_et -0.2078997E+00 Pxc 0.6981118E+01 Qxc -0.4342499E+01 3,-1 145 3 -1 0.880109 2.978620 -1.970893 Rho 0.1626937E+00 |GRAD(Rho)| 0.5517764E-13 GRAD(Rho)x -0.2435199E-13 GRAD(Rho)y 0.2192146E-13 GRAD(Rho)z -0.4439596E-13 Laplacian 0.6382543E+00 (-1/4)Del**2(Rho)) -0.1595636E+00 Diamond 0.1428999E+01 Metallicity 0.5234845E+01 Ellipticity 0.5953715E-01 Gb(Abramov) 0.2455908E+00 Vb(Abramov) -0.3316180E+00 Hb(Abramov) -0.8602722E-01 Ex_ueg -0.6559628E-01 Ec_ueg -0.9260981E-02 Delta_ex -0.6995949E-01 Delta_ec 0.1591484E-01 Delta_et -0.2142663E+00 Pxc 0.7083081E+01 Qxc -0.4395865E+01 3,-1 146 3 -1 0.559905 2.809745 1.788956 Rho 0.1391015E+00 |GRAD(Rho)| 0.4357424E-12 GRAD(Rho)x -0.2652315E-12 GRAD(Rho)y -0.5821395E-13 GRAD(Rho)z 0.3407856E-12 Laplacian 0.5770947E+00 (-1/4)Del**2(Rho)) -0.1442737E+00 Diamond 0.1055383E+01 Metallicity 0.4459151E+01 Ellipticity 0.1416624E-01 Gb(Abramov) 0.2034055E+00 Vb(Abramov) -0.2625373E+00 Hb(Abramov) -0.5913179E-01 Ex_ueg -0.5323051E-01 Ec_ueg -0.7749543E-02 Delta_ex -0.6070072E-01 Delta_ec 0.1466457E-01 Delta_et -0.1925646E+00 Pxc 0.6868858E+01 Qxc -0.4139277E+01 3,-1 147 3 -1 0.424818 -0.516088 0.425723 Rho 0.1816758E+00 |GRAD(Rho)| 0.2068897E-13 GRAD(Rho)x -0.1006140E-13 GRAD(Rho)y 0.7861767E-14 GRAD(Rho)z -0.1627865E-13 Laplacian 0.4847704E+00 (-1/4)Del**2(Rho)) -0.1211926E+00 Diamond 0.1262100E+01 Metallicity 0.8283978E+01 Ellipticity 0.2756164E-02 Gb(Abramov) 0.2481212E+00 Vb(Abramov) -0.3750498E+00 Hb(Abramov) -0.1269286E+00 Ex_ueg -0.7599434E-01 Ec_ueg -0.1050120E-01 Delta_ex -0.5479969E-01 Delta_ec 0.1206311E-01 Delta_et -0.1654354E+00 Pxc 0.7236726E+01 Qxc -0.4542750E+01 3,-1 148 3 +1 1.071289 -1.369948 2.163255 Rho 0.2628917E-01 |GRAD(Rho)| 0.8609637E-16 GRAD(Rho)x 0.4020737E-17 GRAD(Rho)y -0.2559144E-16 GRAD(Rho)z 0.8210662E-16 Laplacian 0.1037199E+00 (-1/4)Del**2(Rho)) -0.2592998E-01 Diamond 0.1432934E-01 Metallicity 0.1544232E+01 Ellipticity -0.3476677E+01 Gb(Abramov) 0.2396031E-01 Vb(Abramov) -0.2199063E-01 Hb(Abramov) 0.1969677E-02 Ex_ueg -0.5773258E-02 Ec_ueg -0.1153839E-02 Delta_ex -0.6517000E-02 Delta_ec 0.1722236E-02 Delta_et -0.1539724E-01 Pxc 0.5003523E+01 Qxc -0.3784035E+01 3,+1 149 3 +1 1.373159 -2.194003 1.064712 Rho 0.2729013E-01 |GRAD(Rho)| 0.2103447E-14 GRAD(Rho)x 0.3950916E-15 GRAD(Rho)y -0.1972437E-14 GRAD(Rho)z 0.6147254E-15 Laplacian 0.1090065E+00 (-1/4)Del**2(Rho)) -0.2725163E-01 Diamond 0.1634000E-01 Metallicity 0.1563760E+01 Ellipticity -0.4206753E+01 Gb(Abramov) 0.2527025E-01 Vb(Abramov) -0.2328888E-01 Hb(Abramov) 0.1981375E-02 Ex_ueg -0.6068191E-02 Ec_ueg -0.1204696E-02 Delta_ex -0.6965217E-02 Delta_ec 0.1893603E-02 Delta_et -0.1706744E-01 Pxc 0.5037114E+01 Qxc -0.3678289E+01 3,+1 150 3 +1 1.448879 0.990744 -2.160356 Rho 0.2752953E-01 |GRAD(Rho)| 0.5602995E-14 GRAD(Rho)x 0.4396472E-14 GRAD(Rho)y -0.2928104E-14 GRAD(Rho)z -0.1868364E-14 Laplacian 0.1097313E+00 (-1/4)Del**2(Rho)) -0.2743283E-01 Diamond 0.1499090E-01 Metallicity 0.1576210E+01 Ellipticity -0.2683317E+01 Gb(Abramov) 0.2549520E-01 Vb(Abramov) -0.2355757E-01 Hb(Abramov) 0.1937627E-02 Ex_ueg -0.6139272E-02 Ec_ueg -0.1216897E-02 Delta_ex -0.6869711E-02 Delta_ec 0.1623681E-02 Delta_et -0.1470986E-01 Pxc 0.5045024E+01 Qxc -0.4230949E+01 3,+1 151 3 +1 1.441191 2.137234 -1.003134 Rho 0.2569534E-01 |GRAD(Rho)| 0.3763079E-16 GRAD(Rho)x -0.9614052E-17 GRAD(Rho)y -0.1610628E-16 GRAD(Rho)z 0.3262261E-16 Laplacian 0.9987748E-01 (-1/4)Del**2(Rho)) -0.2496937E-01 Diamond 0.1165474E-01 Metallicity 0.1543724E+01 Ellipticity -0.2279557E+01 Gb(Abramov) 0.2307055E-01 Vb(Abramov) -0.2117173E-01 Hb(Abramov) 0.1898821E-02 Ex_ueg -0.5600038E-02 Ec_ueg -0.1123787E-02 Delta_ex -0.6057476E-02 Delta_ec 0.1337609E-02 Delta_et -0.1196247E-01 Pxc 0.4983184E+01 Qxc -0.4528587E+01 3,+1 152 3 -1 1.202731 -2.289944 -1.992381 Rho 0.4668361E-01 |GRAD(Rho)| 0.5935817E-16 GRAD(Rho)x 0.5187153E-16 GRAD(Rho)y -0.7832205E-17 GRAD(Rho)z -0.2777397E-16 Laplacian 0.1264138E+00 (-1/4)Del**2(Rho)) -0.3160346E-01 Diamond 0.9137895E-01 Metallicity 0.3299332E+01 Ellipticity 0.1052046E-01 Gb(Abramov) 0.3844735E-01 Vb(Abramov) -0.4529125E-01 Hb(Abramov) -0.6843898E-02 Ex_ueg -0.1241474E-01 Ec_ueg -0.2232393E-02 Delta_ex -0.1178643E-01 Delta_ec 0.6551675E-02 Delta_et -0.6848688E-01 Pxc 0.5561181E+01 Qxc -0.1798995E+01 3,-1 153 3 -1 1.199034 -1.769817 -2.572113 Rho 0.3080757E+00 |GRAD(Rho)| 0.2701165E-13 GRAD(Rho)x -0.4657697E-15 GRAD(Rho)y 0.2279459E-13 GRAD(Rho)z 0.1448513E-13 Laplacian -0.1529362E+01 (-1/4)Del**2(Rho)) 0.3823404E+00 Diamond 0.5222550E+01 Metallicity -0.6331870E+01 Ellipticity 0.4257230E-02 Gb(Abramov) 0.1485947E+00 Vb(Abramov) -0.6795299E+00 Hb(Abramov) -0.5309352E+00 Ex_ueg -0.1536721E+00 Ec_ueg -0.1927208E-01 Delta_ex 0.1495985E+00 Delta_ec 0.5415266E-01 Delta_et -0.1262733E+01 Pxc 0.7973818E+01 Qxc 0.2762533E+01 3,-1 154 3 -1 1.705034 -1.767638 0.469802 Rho 0.4283368E-01 |GRAD(Rho)| 0.2651968E-15 GRAD(Rho)x 0.7957070E-16 GRAD(Rho)y -0.2311163E-15 GRAD(Rho)z 0.1028741E-15 Laplacian 0.1751917E+00 (-1/4)Del**2(Rho)) -0.4379793E-01 Diamond 0.7374222E-01 Metallicity 0.2062569E+01 Ellipticity 0.6496833E-02 Gb(Abramov) 0.4425466E-01 Vb(Abramov) -0.4471140E-01 Hb(Abramov) -0.4567350E-03 Ex_ueg -0.1106876E-01 Ec_ueg -0.2022754E-02 Delta_ex -0.1396676E-01 Delta_ec 0.5393935E-02 Delta_et -0.5462757E-01 Pxc 0.5472123E+01 Qxc -0.2589345E+01 3,-1 155 3 -1 1.767211 0.510637 -1.744146 Rho 0.3911774E-01 |GRAD(Rho)| 0.3340739E-13 GRAD(Rho)x 0.2294945E-13 GRAD(Rho)y -0.1154105E-13 GRAD(Rho)z -0.2135838E-13 Laplacian 0.1607890E+00 (-1/4)Del**2(Rho)) -0.4019726E-01 Diamond 0.5925704E-01 Metallicity 0.1931878E+01 Ellipticity 0.2274086E-01 Gb(Abramov) 0.3974087E-01 Vb(Abramov) -0.3928449E-01 Hb(Abramov) 0.4563840E-03 Ex_ueg -0.9807315E-02 Ec_ueg -0.1822823E-02 Delta_ex -0.1250099E-01 Delta_ec 0.4892515E-02 Delta_et -0.4834060E-01 Pxc 0.5380290E+01 Qxc -0.2555125E+01 3,-1 156 3 -1 2.765406 0.546215 1.852369 Rho 0.1180114E+00 |GRAD(Rho)| 0.1440397E-09 GRAD(Rho)x 0.2970682E-10 GRAD(Rho)y 0.1003127E-09 GRAD(Rho)z -0.9900654E-10 Laplacian 0.4952639E+00 (-1/4)Del**2(Rho)) -0.1238160E+00 Diamond 0.7592814E+00 Metallicity 0.3950477E+01 Ellipticity 0.1766144E-01 Gb(Abramov) 0.1640660E+00 Vb(Abramov) -0.2043161E+00 Hb(Abramov) -0.4025005E-01 Ex_ueg -0.4275139E-01 Ec_ueg -0.6428482E-02 Delta_ex -0.5028419E-01 Delta_ec 0.1348161E-01 Delta_et -0.1730466E+00 Pxc 0.6650308E+01 Qxc -0.3729836E+01 3,-1 157 3 -1 1.835354 -2.829182 -0.609847 Rho 0.1992074E+00 |GRAD(Rho)| 0.9240351E-16 GRAD(Rho)x -0.6993104E-16 GRAD(Rho)y 0.3301396E-16 GRAD(Rho)z 0.5057803E-16 Laplacian 0.7630311E+00 (-1/4)Del**2(Rho)) -0.1907578E+00 Diamond 0.2142444E+01 Metallicity 0.6136396E+01 Ellipticity 0.8853103E-02 Gb(Abramov) 0.3222661E+00 Vb(Abramov) -0.4537744E+00 Hb(Abramov) -0.1315083E+00 Ex_ueg -0.8592622E-01 Ec_ueg -0.1166499E-01 Delta_ex -0.8775892E-01 Delta_ec 0.1759754E-01 Delta_et -0.2405415E+00 Pxc 0.7366162E+01 Qxc -0.4986999E+01 3,-1 158 3 -1 2.003533 -3.007150 0.829649 Rho 0.1207750E+00 |GRAD(Rho)| 0.3036914E-15 GRAD(Rho)x -0.1492879E-15 GRAD(Rho)y 0.2935139E-16 GRAD(Rho)z -0.2628309E-15 Laplacian 0.4628991E+00 (-1/4)Del**2(Rho)) -0.1157248E+00 Diamond 0.7260622E+00 Metallicity 0.4392938E+01 Ellipticity 0.3205319E-01 Gb(Abramov) 0.1618785E+00 Vb(Abramov) -0.2080322E+00 Hb(Abramov) -0.4615371E-01 Ex_ueg -0.4409145E-01 Ec_ueg -0.6599878E-02 Delta_ex -0.4720910E-01 Delta_ec 0.1244689E-01 Delta_et -0.1602809E+00 Pxc 0.6680646E+01 Qxc -0.3792842E+01 3,-1 159 3 -1 2.006940 2.977104 -0.822407 Rho 0.1107536E+00 |GRAD(Rho)| 0.3701843E-16 GRAD(Rho)x -0.1067600E-16 GRAD(Rho)y 0.2289699E-16 GRAD(Rho)z 0.2705762E-16 Laplacian 0.4325011E+00 (-1/4)Del**2(Rho)) -0.1081253E+00 Diamond 0.6050749E+00 Metallicity 0.4069635E+01 Ellipticity 0.2379230E-01 Gb(Abramov) 0.1454219E+00 Vb(Abramov) -0.1827186E+00 Hb(Abramov) -0.3729664E-01 Ex_ueg -0.3928216E-01 Ec_ueg -0.5980946E-02 Delta_ex -0.4312056E-01 Delta_ec 0.1169945E-01 Delta_et -0.1480822E+00 Pxc 0.6567883E+01 Qxc -0.3685690E+01 3,-1 160 3 -1 2.048910 0.828062 -2.987812 Rho 0.1277020E+00 |GRAD(Rho)| 0.6147521E-13 GRAD(Rho)x -0.5191228E-13 GRAD(Rho)y 0.2451892E-13 GRAD(Rho)z 0.2198043E-13 Laplacian 0.5004772E+00 (-1/4)Del**2(Rho)) -0.1251193E+00 Diamond 0.8330855E+00 Metallicity 0.4458872E+01 Ellipticity 0.4068002E-01 Gb(Abramov) 0.1763947E+00 Vb(Abramov) -0.2276701E+00 Hb(Abramov) -0.5127539E-01 Ex_ueg -0.4749508E-01 Ec_ueg -0.7031798E-02 Delta_ex -0.5164886E-01 Delta_ec 0.1314205E-01 Delta_et -0.1705958E+00 Pxc 0.6754330E+01 Qxc -0.3930045E+01 3,-1 161 3 +1 2.954223 0.159282 -0.085080 Rho 0.4933078E-02 |GRAD(Rho)| 0.1709884E-12 GRAD(Rho)x 0.5138422E-13 GRAD(Rho)y 0.1508589E-12 GRAD(Rho)z 0.6195396E-13 Laplacian 0.2020489E-01 (-1/4)Del**2(Rho)) -0.5051223E-02 Diamond 0.4946234E-03 Metallicity 0.4875508E+00 Ellipticity -0.5093527E+01 Gb(Abramov) 0.3777937E-02 Vb(Abramov) -0.2504651E-02 Hb(Abramov) 0.1273286E-02 Ex_ueg -0.6202152E-03 Ec_ueg -0.1440340E-03 Delta_ex -0.1032121E-02 Delta_ec 0.6900839E-03 Delta_et -0.3710795E-02 Pxc 0.4306033E+01 Qxc -0.1495646E+01 3,+1 162 3 -1 3.004349 -0.868355 2.017911 Rho 0.1796266E+00 |GRAD(Rho)| 0.1553353E-11 GRAD(Rho)x 0.7221461E-12 GRAD(Rho)y -0.1058012E-11 GRAD(Rho)z -0.8786470E-12 Laplacian 0.6971660E+00 (-1/4)Del**2(Rho)) -0.1742915E+00 Diamond 0.1753104E+01 Metallicity 0.5652337E+01 Ellipticity 0.5342656E-01 Gb(Abramov) 0.2803867E+00 Vb(Abramov) -0.3864819E+00 Hb(Abramov) -0.1060952E+00 Ex_ueg -0.7485358E-01 Ec_ueg -0.1036631E-01 Delta_ex -0.7829287E-01 Delta_ec 0.1687643E-01 Delta_et -0.2296372E+00 Pxc 0.7220850E+01 Qxc -0.4639184E+01 3,-1 163 3 -1 2.867247 -0.544689 -1.806807 Rho 0.1388358E+00 |GRAD(Rho)| 0.2124979E-15 GRAD(Rho)x -0.2507218E-18 GRAD(Rho)y -0.6156913E-16 GRAD(Rho)z 0.2033828E-15 Laplacian 0.5683249E+00 (-1/4)Del**2(Rho)) -0.1420812E+00 Diamond 0.1037009E+01 Metallicity 0.4513558E+01 Ellipticity 0.1602242E-01 Gb(Abramov) 0.2016028E+00 Vb(Abramov) -0.2611244E+00 Hb(Abramov) -0.5952158E-01 Ex_ueg -0.5309502E-01 Ec_ueg -0.7732723E-02 Delta_ex -0.5975092E-01 Delta_ec 0.1444942E-01 Delta_et -0.1896878E+00 Pxc 0.6866278E+01 Qxc -0.4135176E+01 3,-1 164 3 -1 2.958876 0.062727 0.011499 Rho 0.4938544E-02 |GRAD(Rho)| 0.1302141E-14 GRAD(Rho)x -0.1888919E-15 GRAD(Rho)y 0.1287224E-14 GRAD(Rho)z -0.5427253E-16 Laplacian 0.1983082E-01 (-1/4)Del**2(Rho)) -0.4957705E-02 Diamond 0.5278363E-03 Metallicity 0.4976653E+00 Ellipticity 0.5999004E+01 Gb(Abramov) 0.3716350E-02 Vb(Abramov) -0.2474994E-02 Hb(Abramov) 0.1241355E-02 Ex_ueg -0.6211316E-03 Ec_ueg -0.1442690E-03 Delta_ex -0.1052538E-02 Delta_ec 0.7475018E-03 Delta_et -0.3994697E-02 Pxc 0.4305370E+01 Qxc -0.1408074E+01 3,-1 165 3 -1 3.177149 0.004045 3.246265 Rho 0.2461489E+00 |GRAD(Rho)| 0.7149240E-14 GRAD(Rho)x -0.5048804E-14 GRAD(Rho)y -0.1584480E-14 GRAD(Rho)z -0.4807352E-14 Laplacian 0.8985336E+00 (-1/4)Del**2(Rho)) -0.2246334E+00 Diamond 0.3268289E+01 Metallicity 0.7414387E+01 Ellipticity 0.2799262E-02 Gb(Abramov) 0.4273421E+00 Vb(Abramov) -0.6300508E+00 Hb(Abramov) -0.2027087E+00 Ex_ueg -0.1139328E+00 Ec_ueg -0.1486520E-01 Delta_ex -0.1092415E+00 Delta_ec 0.1962819E-01 Delta_et -0.2717670E+00 Pxc 0.7664398E+01 Qxc -0.5565544E+01 3,-1 166 3 -1 3.039988 0.872205 -1.976559 Rho 0.1202821E+00 |GRAD(Rho)| 0.2086273E-12 GRAD(Rho)x -0.1166670E-12 GRAD(Rho)y -0.1509113E-12 GRAD(Rho)z -0.8449803E-13 Laplacian 0.4834427E+00 (-1/4)Del**2(Rho)) -0.1208607E+00 Diamond 0.7469059E+00 Metallicity 0.4177693E+01 Ellipticity 0.2980646E-01 Gb(Abramov) 0.1647269E+00 Vb(Abramov) -0.2085932E+00 Hb(Abramov) -0.4386624E-01 Ex_ueg -0.4385170E-01 Ec_ueg -0.6569272E-02 Delta_ex -0.4915380E-01 Delta_ec 0.1282883E-01 Delta_et -0.1647808E+00 Pxc 0.6675276E+01 Qxc -0.3831511E+01 3,-1 167 3 -1 2.784706 1.828658 0.617178 Rho 0.1514010E+00 |GRAD(Rho)| 0.2415769E-13 GRAD(Rho)x -0.1660273E-14 GRAD(Rho)y 0.1768178E-13 GRAD(Rho)z -0.1637658E-13 Laplacian 0.6400754E+00 (-1/4)Del**2(Rho)) -0.1600189E+00 Diamond 0.1287523E+01 Metallicity 0.4630167E+01 Ellipticity 0.2940032E-01 Gb(Abramov) 0.2301649E+00 Vb(Abramov) -0.3003110E+00 Hb(Abramov) -0.7014605E-01 Ex_ueg -0.5959687E-01 Ec_ueg -0.8533259E-02 Delta_ex -0.6865779E-01 Delta_ec 0.1577838E-01 Delta_et -0.2093197E+00 Pxc 0.6984068E+01 Qxc -0.4351383E+01 3,-1 168 3 -1 3.015275 2.016064 -0.807533 Rho 0.1437170E+00 |GRAD(Rho)| 0.3600862E-15 GRAD(Rho)x 0.3294416E-15 GRAD(Rho)y -0.8204700E-16 GRAD(Rho)z -0.1199941E-15 Laplacian 0.5629254E+00 (-1/4)Del**2(Rho)) -0.1407314E+00 Diamond 0.1077404E+01 Metallicity 0.4826985E+01 Ellipticity 0.4982131E-01 Gb(Abramov) 0.2070389E+00 Vb(Abramov) -0.2733465E+00 Hb(Abramov) -0.6630756E-01 Ex_ueg -0.5559844E-01 Ec_ueg -0.8042533E-02 Delta_ex -0.5975660E-01 Delta_ec 0.1431736E-01 Delta_et -0.1891782E+00 Pxc 0.6913051E+01 Qxc -0.4173715E+01 3,-1 169 3 -1 2.810869 -1.810741 -0.591823 Rho 0.1216613E+00 |GRAD(Rho)| 0.7409237E-16 GRAD(Rho)x -0.6566199E-17 GRAD(Rho)y -0.6614311E-16 GRAD(Rho)z 0.3273613E-16 Laplacian 0.4966035E+00 (-1/4)Del**2(Rho)) -0.1241509E+00 Diamond 0.7787965E+00 Metallicity 0.4144994E+01 Ellipticity 0.1320352E-01 Gb(Abramov) 0.1685347E+00 Vb(Abramov) -0.2129185E+00 Hb(Abramov) -0.4438382E-01 Ex_ueg -0.4452338E-01 Ec_ueg -0.6654957E-02 Delta_ex -0.5064255E-01 Delta_ec 0.1316558E-01 Delta_et -0.1694757E+00 Pxc 0.6690258E+01 Qxc -0.3846586E+01 3,-1 170 3 -1 2.974505 -1.988578 0.818862 Rho 0.8748805E-01 |GRAD(Rho)| 0.3908111E-15 GRAD(Rho)x 0.1200584E-16 GRAD(Rho)y -0.2666815E-15 GRAD(Rho)z -0.2854298E-15 Laplacian 0.3470603E+00 (-1/4)Del**2(Rho)) -0.8676508E-01 Diamond 0.3637132E+00 Metallicity 0.3423387E+01 Ellipticity 0.1441095E-02 Gb(Abramov) 0.1073485E+00 Vb(Abramov) -0.1279319E+00 Hb(Abramov) -0.2058339E-01 Ex_ueg -0.2868468E-01 Ec_ueg -0.4573577E-02 Delta_ex -0.3272153E-01 Delta_ec 0.9830918E-02 Delta_et -0.1186693E+00 Pxc 0.6271827E+01 Qxc -0.3328430E+01 3,-1 171 3 -1 3.211827 3.198392 0.117767 Rho 0.2373303E+00 |GRAD(Rho)| 0.4691594E-15 GRAD(Rho)x 0.4121595E-15 GRAD(Rho)y 0.2237251E-15 GRAD(Rho)z 0.1349832E-16 Laplacian 0.8447073E+00 (-1/4)Del**2(Rho)) -0.2111768E+00 Diamond 0.2965579E+01 Metallicity 0.7421567E+01 Ellipticity 0.4381135E-03 Gb(Abramov) 0.4019950E+00 Vb(Abramov) -0.5928132E+00 Hb(Abramov) -0.1908182E+00 Ex_ueg -0.1085232E+00 Ec_ueg -0.1425476E-01 Delta_ex -0.1018577E+00 Delta_ec 0.1889617E-01 Delta_et -0.2623985E+00 Pxc 0.7613121E+01 Qxc -0.5390392E+01 3,-1 172 3 -1 3.317483 -0.002479 -3.180983 Rho 0.2360191E+00 |GRAD(Rho)| 0.5667922E-15 GRAD(Rho)x -0.4326509E-15 GRAD(Rho)y 0.1110765E-15 GRAD(Rho)z 0.3488963E-15 Laplacian 0.8426690E+00 (-1/4)Del**2(Rho)) -0.2106673E+00 Diamond 0.2935153E+01 Metallicity 0.7371142E+01 Ellipticity 0.9812504E-03 Gb(Abramov) 0.3992545E+00 Vb(Abramov) -0.5878418E+00 Hb(Abramov) -0.1885873E+00 Ex_ueg -0.1077245E+00 Ec_ueg -0.1416436E-01 Delta_ex -0.1014458E+00 Delta_ec 0.1884611E-01 Delta_et -0.2614925E+00 Pxc 0.7605323E+01 Qxc -0.5382853E+01 3,-1 173 3 -1 -1.710164 0.520456 1.766822 Rho 0.4924182E-01 |GRAD(Rho)| 0.4487067E-16 GRAD(Rho)x 0.1909509E-16 GRAD(Rho)y -0.2426686E-16 GRAD(Rho)z 0.3255571E-16 Laplacian 0.1975968E+00 (-1/4)Del**2(Rho)) -0.4939920E-01 Diamond 0.9687233E-01 Metallicity 0.2307048E+01 Ellipticity 0.1321667E-01 Gb(Abramov) 0.5192719E-01 Vb(Abramov) -0.5445518E-01 Hb(Abramov) -0.2527989E-02 Ex_ueg -0.1333001E-01 Ec_ueg -0.2373007E-02 Delta_ex -0.1614791E-01 Delta_ec 0.5791231E-02 Delta_et -0.6079757E-01 Pxc 0.5617349E+01 Qxc -0.2788338E+01 3,-1 174 3 -1 -2.790087 0.540527 -1.822016 Rho 0.1345751E+00 |GRAD(Rho)| 0.6277139E-12 GRAD(Rho)x -0.1400577E-12 GRAD(Rho)y 0.3713954E-12 GRAD(Rho)z 0.4862859E-12 Laplacian 0.5635761E+00 (-1/4)Del**2(Rho)) -0.1408940E+00 Diamond 0.9910853E+00 Metallicity 0.4321174E+01 Ellipticity 0.8447652E-02 Gb(Abramov) 0.1954006E+00 Vb(Abramov) -0.2499072E+00 Hb(Abramov) -0.5450659E-01 Ex_ueg -0.5093363E-01 Ec_ueg -0.7463535E-02 Delta_ex -0.5880958E-01 Delta_ec 0.1444908E-01 Delta_et -0.1888166E+00 Pxc 0.6824331E+01 Qxc -0.4070128E+01 3,-1 175 3 -1 -2.765327 -0.555984 1.875051 Rho 0.1352825E+00 |GRAD(Rho)| 0.4396651E-15 GRAD(Rho)x -0.1595810E-16 GRAD(Rho)y -0.1749902E-15 GRAD(Rho)z -0.4030251E-15 Laplacian 0.5694886E+00 (-1/4)Del**2(Rho)) -0.1423721E+00 Diamond 0.1025683E+01 Metallicity 0.4313844E+01 Ellipticity 0.1120633E-01 Gb(Abramov) 0.1972766E+00 Vb(Abramov) -0.2521811E+00 Hb(Abramov) -0.5490449E-01 Ex_ueg -0.5129095E-01 Ec_ueg -0.7508150E-02 Delta_ex -0.5970668E-01 Delta_ec 0.1494685E-01 Delta_et -0.1962119E+00 Pxc 0.6831370E+01 Qxc -0.3994600E+01 3,-1 176 3 -1 -1.807516 0.541349 -2.825570 Rho 0.1560896E+00 |GRAD(Rho)| 0.1218841E-14 GRAD(Rho)x -0.9885755E-15 GRAD(Rho)y 0.6833184E-15 GRAD(Rho)z -0.2033896E-15 Laplacian 0.6481264E+00 (-1/4)Del**2(Rho)) -0.1620316E+00 Diamond 0.1355203E+01 Metallicity 0.4811089E+01 Ellipticity 0.2724994E-01 Gb(Abramov) 0.2379458E+00 Vb(Abramov) -0.3138600E+00 Hb(Abramov) -0.7591422E-01 Ex_ueg -0.6207028E-01 Ec_ueg -0.8834469E-02 Delta_ex -0.7007590E-01 Delta_ec 0.1590184E-01 Delta_et -0.2119025E+00 Pxc 0.7025921E+01 Qxc -0.4406779E+01 3,-1 177 3 -1 -0.841887 2.987482 1.972816 Rho 0.1168484E+00 |GRAD(Rho)| 0.8843865E-14 GRAD(Rho)x -0.1428511E-14 GRAD(Rho)y -0.7525773E-14 GRAD(Rho)z -0.4419960E-14 Laplacian 0.4548178E+00 (-1/4)Del**2(Rho)) -0.1137045E+00 Diamond 0.6780414E+00 Metallicity 0.4231366E+01 Ellipticity 0.3108308E-01 Gb(Abramov) 0.1559905E+00 Vb(Abramov) -0.1982765E+00 Hb(Abramov) -0.4228603E-01 Ex_ueg -0.4219059E-01 Ec_ueg -0.6356518E-02 Delta_ex -0.4591685E-01 Delta_ec 0.1213659E-01 Delta_et -0.1550810E+00 Pxc 0.6637374E+01 Qxc -0.3783340E+01 3,-1 178 3 -1 -0.509784 0.422848 0.448019 Rho 0.1770372E+00 |GRAD(Rho)| 0.6222412E-15 GRAD(Rho)x 0.3400058E-15 GRAD(Rho)y -0.3087808E-15 GRAD(Rho)z -0.4198031E-15 Laplacian 0.4697311E+00 (-1/4)Del**2(Rho)) -0.1174328E+00 Diamond 0.1183930E+01 Metallicity 0.8188504E+01 Ellipticity 0.1328758E-02 Gb(Abramov) 0.2385550E+00 Vb(Abramov) -0.3596772E+00 Hb(Abramov) -0.1211222E+00 Ex_ueg -0.7341830E-01 Ec_ueg -0.1019620E-01 Delta_ex -0.5274428E-01 Delta_ec 0.1174452E-01 Delta_et -0.1605241E+00 Pxc 0.7200553E+01 Qxc -0.4490969E+01 3,-1 179 3 -1 -0.594373 -2.792078 1.788760 Rho 0.1621839E+00 |GRAD(Rho)| 0.6729351E-15 GRAD(Rho)x -0.6544515E-15 GRAD(Rho)y -0.7169287E-16 GRAD(Rho)z -0.1392658E-15 Laplacian 0.6736803E+00 (-1/4)Del**2(Rho)) -0.1684201E+00 Diamond 0.1463813E+01 Metallicity 0.4933695E+01 Ellipticity 0.3616564E-01 Gb(Abramov) 0.2507689E+00 Vb(Abramov) -0.3331178E+00 Hb(Abramov) -0.8234884E-01 Ex_ueg -0.6532239E-01 Ec_ueg -0.9227968E-02 Delta_ex -0.7343653E-01 Delta_ec 0.1618932E-01 Delta_et -0.2162749E+00 Pxc 0.7078741E+01 Qxc -0.4536110E+01 3,-1 180 3 -1 -0.547969 2.705803 -1.793760 Rho 0.1461125E+00 |GRAD(Rho)| 0.2416918E-12 GRAD(Rho)x 0.1650050E-12 GRAD(Rho)y -0.3498226E-13 GRAD(Rho)z -0.1731027E-12 Laplacian 0.6190011E+00 (-1/4)Del**2(Rho)) -0.1547503E+00 Diamond 0.1211075E+01 Metallicity 0.4512327E+01 Ellipticity 0.1192690E-01 Gb(Abramov) 0.2195475E+00 Vb(Abramov) -0.2843447E+00 Hb(Abramov) -0.6479723E-01 Ex_ueg -0.5683748E-01 Ec_ueg -0.8195123E-02 Delta_ex -0.6600270E-01 Delta_ec 0.1572711E-01 Delta_et -0.2084039E+00 Pxc 0.6935525E+01 Qxc -0.4196747E+01 3,-1 181 3 -1 -0.560141 -0.515970 -0.515707 Rho 0.1927502E+00 |GRAD(Rho)| 0.2159435E-15 GRAD(Rho)x -0.1144917E-15 GRAD(Rho)y -0.1630640E-15 GRAD(Rho)z 0.8326673E-16 Laplacian 0.5291168E+00 (-1/4)Del**2(Rho)) -0.1322792E+00 Diamond 0.1451157E+01 Metallicity 0.8376317E+01 Ellipticity 0.1869568E-01 Gb(Abramov) 0.2728549E+00 Vb(Abramov) -0.4134306E+00 Hb(Abramov) -0.1405757E+00 Ex_ueg -0.8223277E-01 Ec_ueg -0.1123433E-01 Delta_ex -0.6051092E-01 Delta_ec 0.1260857E-01 Delta_et -0.1728809E+00 Pxc 0.7319774E+01 Qxc -0.4799189E+01 3,-1 182 3 -1 -0.086170 -3.238394 3.142332 Rho 0.2356028E+00 |GRAD(Rho)| 0.4424281E-15 GRAD(Rho)x -0.1693795E-15 GRAD(Rho)y -0.2617264E-15 GRAD(Rho)z 0.3139307E-15 Laplacian 0.8521678E+00 (-1/4)Del**2(Rho)) -0.2130420E+00 Diamond 0.2954451E+01 Metallicity 0.7267560E+01 Ellipticity 0.4806238E-02 Gb(Abramov) 0.4000772E+00 Vb(Abramov) -0.5871124E+00 Hb(Abramov) -0.1870352E+00 Ex_ueg -0.1074712E+00 Ec_ueg -0.1413567E-01 Delta_ex -0.1025014E+00 Delta_ec 0.1899546E-01 Delta_et -0.2632331E+00 Pxc 0.7602837E+01 Qxc -0.5396096E+01 3,-1 183 3 -1 -0.066150 0.098177 2.924626 Rho 0.5386464E-02 |GRAD(Rho)| 0.7551819E-17 GRAD(Rho)x -0.5248184E-18 GRAD(Rho)y -0.7441218E-17 GRAD(Rho)z 0.1175934E-17 Laplacian 0.2174818E-01 (-1/4)Del**2(Rho)) -0.5437044E-02 Diamond 0.6296203E-03 Metallicity 0.5244410E+00 Ellipticity 0.7456496E+01 Gb(Abramov) 0.4099931E-02 Vb(Abramov) -0.2762818E-02 Hb(Abramov) 0.1337113E-02 Ex_ueg -0.6973596E-03 Ec_ueg -0.1635817E-03 Delta_ex -0.1155089E-02 Delta_ec 0.7884936E-03 Delta_et -0.4337393E-02 Pxc 0.4263067E+01 Qxc -0.1464932E+01 3,-1 184 3 -1 1.713355 -0.584442 1.724181 Rho 0.4378884E-01 |GRAD(Rho)| 0.1829493E-15 GRAD(Rho)x -0.1273569E-15 GRAD(Rho)y -0.4224704E-16 GRAD(Rho)z -0.1243618E-15 Laplacian 0.1753143E+00 (-1/4)Del**2(Rho)) -0.4382857E-01 Diamond 0.7301118E-01 Metallicity 0.2138299E+01 Ellipticity 0.2394187E-01 Gb(Abramov) 0.4483881E-01 Vb(Abramov) -0.4584904E-01 Hb(Abramov) -0.1010238E-02 Ex_ueg -0.1139908E-01 Ec_ueg -0.2074535E-02 Delta_ex -0.1389728E-01 Delta_ec 0.5118846E-02 Delta_et -0.5210174E-01 Pxc 0.5494761E+01 Qxc -0.2714924E+01 3,-1 185 3 -1 1.967822 -0.605761 -2.815892 Rho 0.1454863E+00 |GRAD(Rho)| 0.4029772E-13 GRAD(Rho)x -0.2070894E-14 GRAD(Rho)y 0.3942646E-13 GRAD(Rho)z -0.8072915E-14 Laplacian 0.5468682E+00 (-1/4)Del**2(Rho)) -0.1367170E+00 Diamond 0.1079584E+01 Metallicity 0.5071084E+01 Ellipticity 0.1151107E+00 Gb(Abramov) 0.2066953E+00 Vb(Abramov) -0.2766736E+00 Hb(Abramov) -0.6997826E-01 Ex_ueg -0.5651295E-01 Ec_ueg -0.8155203E-02 Delta_ex -0.5840707E-01 Delta_ec 0.1418966E-01 Delta_et -0.1885376E+00 Pxc 0.6929680E+01 Qxc -0.4116171E+01 3,-1 186 3 -1 1.960007 -0.880589 3.025807 Rho 0.1646690E+00 |GRAD(Rho)| 0.2569754E-15 GRAD(Rho)x 0.1281798E-15 GRAD(Rho)y 0.1948853E-15 GRAD(Rho)z 0.1078239E-15 Laplacian 0.6426211E+00 (-1/4)Del**2(Rho)) -0.1606553E+00 Diamond 0.1461445E+01 Metallicity 0.5304907E+01 Ellipticity 0.5288812E-01 Gb(Abramov) 0.2491470E+00 Vb(Abramov) -0.3376388E+00 Hb(Abramov) -0.8849178E-01 Ex_ueg -0.6666031E-01 Ec_ueg -0.9389058E-02 Delta_ex -0.7066434E-01 Delta_ec 0.1600069E-01 Delta_et -0.2158145E+00 Pxc 0.7099787E+01 Qxc -0.4416329E+01 3,-1 187 3 -1 3.192542 -3.220145 -0.102665 Rho 0.2317198E+00 |GRAD(Rho)| 0.5926562E-15 GRAD(Rho)x 0.4824700E-15 GRAD(Rho)y -0.3435295E-15 GRAD(Rho)z 0.2125036E-16 Laplacian 0.8403455E+00 (-1/4)Del**2(Rho)) -0.2100864E+00 Diamond 0.2854850E+01 Metallicity 0.7168482E+01 Ellipticity 0.1148782E-01 Gb(Abramov) 0.3910576E+00 Vb(Abramov) -0.5720289E+00 Hb(Abramov) -0.1809713E+00 Ex_ueg -0.1051161E+00 Ec_ueg -0.1386861E-01 Delta_ex -0.1006379E+00 Delta_ec 0.1881386E-01 Delta_et -0.2604926E+00 Pxc 0.7579429E+01 Qxc -0.5349138E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 116 123 179 141 140 182 147 181 137 178 136 117 180 107 145 134 118 144 146 121 177 135 154 169 157 170 158 187 104 167 143 168 159 171 96 79 97 80 93 81 75 77 102 76 82 63 59 174 176 65 92 66 173 175 61 70 98 69 184 156 131 162 186 165 155 163 185 166 160 172 126 125 68 164 105 153 183 128 100 152 94 89 115 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 17 18 21 21 22 25 28 28 36 37 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 19 20 36 54 24 27 53 54 52 52 53 2.397853 2.000016 1.858211 2.032721 1.924852 1.723653 1.708981 1.682535 1.709956 1.719746 2.332622 2.020125 1.921662 1.947937 1.892047 1.732467 2.425464 1.885327 1.919394 1.979266 2.001836 1.722420 2.416309 1.974474 1.789096 2.119727 1.988763 1.730289 2.473902 1.883077 1.954263 1.917336 2.022447 1.721188 2.361554 1.951937 1.962878 1.925008 1.914637 1.732848 2.384425 1.919514 2.081067 1.851081 1.985298 1.724203 2.375045 1.932105 1.872250 2.110830 1.932884 1.722872 2.377741 1.952852 1.890151 1.981337 1.925014 1.732979 2.422987 2.006023 2.012838 1.854510 1.887314 1.734000 2.453075 1.921616 1.918460 1.987395 1.964761 1.723332 3.221395 3.096189 3.245331 3.303186 3.357631 1.006502 3.263492 3.244471 1.945146 1.683343 0.997516 1.897860 0.992521 2.399568 2.000590 1.858841 2.033552 1.925603 1.723669 1.708996 1.682579 1.709976 1.719750 2.334331 2.020454 1.922100 1.948584 1.892557 1.732473 2.427036 1.885813 1.919934 1.980092 2.002794 1.722432 2.417818 1.974991 1.789265 2.120591 1.989550 1.730317 2.475492 1.883570 1.954855 1.918067 2.023256 1.721200 2.363145 1.952411 1.963229 1.925619 1.915215 1.732854 2.386727 1.920184 2.081630 1.851683 1.986894 1.724227 2.377052 1.932649 1.872713 2.111590 1.934565 1.722887 2.379388 1.953314 1.890669 1.981980 1.925614 1.732985 2.424922 2.006448 2.013294 1.854936 1.887840 1.734005 2.454691 1.922310 1.919790 1.988227 1.965593 1.723343 3.273172 3.102562 3.252474 3.310137 3.362835 1.006609 3.277472 3.251382 1.946932 1.687958 0.997638 1.904993 0.992668 30 26 25 27 26 23 22 23 22 22 30 26 28 27 28 23 30 30 29 28 28 24 31 27 24 29 26 24 33 30 29 27 29 25 30 27 28 27 29 23 30 26 27 25 27 23 30 29 27 29 28 23 30 27 27 27 28 23 29 27 27 24 26 22 31 27 26 28 26 23 35 35 35 35 37 19 35 35 28 25 23 30 24 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 Mo As W Mo Mo Mo W Mo Mo W W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.3625 2.4397 2.4771 2.3882 2.2895 2.3649 2.4855 2.3442 2.3790 2.4812 2.4535 2.3536 -1.1247 -1.0363 -1.1233 -1.1360 -0.9211 -0.9172 -0.9236 -0.9128 -0.7305 -0.9131 -0.9140 -0.9233 -0.9565 -0.8986 -0.9041 -0.8243 -0.9201 -0.8796 -0.8950 -0.9509 -0.9229 -0.9182 -0.9271 -0.7302 -0.7963 -0.9224 -0.9062 -0.9176 -0.6899 -0.6905 -0.7582 -0.6898 -0.7069 -0.6863 -0.7638 -0.6893 -0.6849 -0.7655 -0.7691 0.2998 0.3240 0.2974 1.9310 0.8237 2.0921 1.9389 1.9623 1.9299 2.0881 1.9555 1.9535 2.0863 2.0939 1.9377 1.9372 1.9489 1.9360 1.9323 1.9380 1.9415 1.9376 1.9417 1.8831 1.9419 1.9436 1.9381 1.9335 1.9469 1.9417 1.9753 1.9506 1.9545 1.9502 1.9469 1.9479 1.9497 1.9476 1.8850 1.8852 1.9477 1.9495 1.9494 1.9809 1.9800 1.9706 1.9811 1.9782 1.9820 1.9697 1.9800 1.9807 1.9700 1.9691 0.5611 0.5434 0.5378 6.0710 1.1791 6.0927 6.0524 6.0881 6.0678 6.0905 6.0749 6.0630 6.0897 6.0950 6.0755 5.1504 5.0498 5.1504 5.1664 4.9547 4.9495 4.9582 4.9429 4.8168 4.9436 4.9422 4.9565 4.9934 4.9250 4.9357 4.8177 4.9392 4.8953 4.9166 4.9716 4.9442 4.9392 4.9489 4.8155 4.8806 4.9444 4.9285 4.9371 4.6746 4.6759 4.7507 4.6740 4.6953 4.6694 4.7573 4.6749 4.6696 4.7588 4.7634 0.1390 0.1326 0.1648 3.6355 10.5575 3.3090 3.6205 3.6601 3.6374 3.3066 3.6254 3.6045 3.3135 3.3288 3.6332 0.0371 0.0375 0.0369 0.0373 0.0285 0.0262 0.0278 0.0281 0.0306 0.0276 0.0282 0.0287 0.0297 0.0267 0.0267 0.0312 0.0303 0.0299 0.0282 0.0324 0.0308 0.0293 0.0305 0.0297 0.0305 0.0302 0.0282 0.0312 0.0345 0.0345 0.0369 0.0347 0.0334 0.0350 0.0367 0.0344 0.0346 0.0367 0.0366 0.0000 0.0000 0.0000 0.0000 0.0000 14.0291 0.0000 0.0000 0.0000 14.0292 0.0000 0.0000 14.0293 14.0288 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 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 Mo As W Mo Mo Mo W Mo Mo W W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 3.172570 2.313170 2.518072 3.180047 3.150613 3.178326 2.517498 3.177280 3.184401 2.514877 2.507347 3.174867 -1.177046 -1.115853 -1.166561 -1.143212 -1.069584 -1.176259 -1.069771 -1.067699 -0.723399 -1.070801 -1.069462 -1.046693 -0.951360 -1.154576 -1.179541 -0.906315 -1.000190 -1.115002 -1.147481 -0.925303 -1.018084 -1.026268 -1.032258 -0.691727 -0.655690 -1.024254 -1.151975 -1.010800 -0.956812 -0.960945 -0.785355 -0.956955 -0.978747 -0.952142 -0.792489 -0.955674 -0.949544 -0.793391 -0.798099 0.064394 0.066266 0.047592 2.373872 1.687515 1.960351 2.374008 2.346522 2.378631 1.948486 2.354214 2.352263 1.955247 1.964602 2.351785 -0.868544 -0.840307 -0.857105 -0.817812 -0.805976 -0.915169 -0.803538 -0.817705 -0.799534 -0.819902 -0.804756 -0.810314 -0.709105 -0.905727 -0.909059 -0.728936 -0.833517 -0.906656 -0.916112 -0.754297 -0.835231 -0.812695 -0.836983 -0.806682 -0.820797 -0.839005 -0.923004 -0.829652 -0.716381 -0.706708 -0.663906 -0.721143 -0.738130 -0.709550 -0.678055 -0.700040 -0.695809 -0.675269 -0.674343 0.360106 0.315672 0.284182 2.453884 1.671662 2.051763 2.455864 2.415302 2.459146 2.041959 2.499424 2.503273 2.053490 2.056757 2.451511 -0.874396 -0.911395 -0.872117 -0.849016 -0.892362 -0.995251 -0.881758 -0.896652 -0.858689 -0.897846 -0.897398 -0.880548 -0.799577 -1.018705 -0.980174 -0.810911 -0.866486 -0.976421 -0.965161 -0.787425 -0.869037 -0.864518 -0.873516 -0.896277 -0.929992 -0.872085 -0.974713 -0.865681 -0.677209 -0.683120 -0.627567 -0.683653 -0.703457 -0.669713 -0.645756 -0.688851 -0.694846 -0.639814 -0.640058 0.529323 0.416501 0.352296 0.50446551 -2.60186286 -3.18120759 4.14056247 -14.03142079 5.04015581 -1.78742556 12.33036261 15.30620933 1.70105818 -351.7269 407.7657 -124.4156 -356.1054 -18.7021 -443.1843 Jun12-2024 02:16:35 Nodes: 1 Procs: 1 Jun12-2024 02:16:37 Nodes: 1 Procs: 1 0 Jun12-2024 02:16:40 Nodes: 1 Procs: 1 Jun12-2024 02:16:42 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 02:16:45 Nodes: 1 Procs: 1 Jun12-2024 02:16:47 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 02:16:50 Nodes: 1 Procs: 1 Jun12-2024 02:16:52 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 02:16:54 Nodes: 1 Procs: 1 Jun12-2024 02:16:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 02:17:02 Nodes: 1 Procs: 5 *** (NO TITLE) *** -4 -15.72599995 -16.12416132 -15.81831518 -16.07344445 -16.21718431 -16.24515305 -16.26941190 -16.27127107 -16.27162649 -16.27209675 -16.27422569 -16.27623956 -16.27954097 -16.28087614 -16.28008365 -16.28078130 -16.28180893 -16.28382777 -16.28442009 -16.28514733 -16.28540891 -16.28584371 -16.28604046 -16.28629886 -16.28640229 -16.28655207 -16.28662105 -16.28666347 -16.28669883 -16.28671469 -16.28672053 -16.28672505 GEOMETRY CONVERGED