ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May07-2024 20:06:56 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 0.67 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 May07-2024 20:06:56 Nodes: 1 Procs: 1 May07-2024 20:06:56 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May07-2024 20:06:57 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.02 0.82 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 May07-2024 20:06:56 Nodes: 1 Procs: 1 May07-2024 20:06:56 Nodes: 1 Procs: 1 0 May07-2024 20:06:57 Nodes: 1 Procs: 1 May07-2024 20:06:58 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May07-2024 20:06:58 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.47 0.01 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 May07-2024 20:06:56 Nodes: 1 Procs: 1 May07-2024 20:06:56 Nodes: 1 Procs: 1 0 May07-2024 20:06:57 Nodes: 1 Procs: 1 May07-2024 20:06:58 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May07-2024 20:06:58 Nodes: 1 Procs: 1 May07-2024 20:06:59 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May07-2024 20:06:59 Phosphorus (TZP, 1s frozen) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.36 0.02 1.46 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 May07-2024 20:06:56 Nodes: 1 Procs: 1 May07-2024 20:06:56 Nodes: 1 Procs: 1 0 May07-2024 20:06:57 Nodes: 1 Procs: 1 May07-2024 20:06:58 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May07-2024 20:06:58 Nodes: 1 Procs: 1 May07-2024 20:06:59 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May07-2024 20:06:59 Nodes: 1 Procs: 1 May07-2024 20:07:00 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May07-2024 20:07:02 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2525.429761000003 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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 May07-2024 20:06:58 1 1 Molybdenum TZP 3d t21.W ADF 2019 May07-2024 20:07:00 1 1 Tungsten TZP 4d t21.O ADF 2019 May07-2024 20:06:59 1 1 Oxygen TZP 1s t21.P ADF 2019 May07-2024 20:06:56 1 1 Phosphorus TZP 1s 1 1 -16.84015519 0.02253995 0.00100000 F 0.00696863 0.00066667 F 0.02253995 0.00696863 0.01003453 0.01000000 F 0.00341501 0.00666667 T Cartesian 2525.429761000003 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-0.920428 -0.894774 Rho 0.3187768E+03 3,-3 15 3 -3 0.904345 0.892406 -0.899599 Rho 0.3187787E+03 3,-3 16 3 -3 -0.903603 0.888542 0.888661 Rho 0.3187783E+03 3,-3 17 3 -3 -3.011819 -1.172185 1.159438 Rho 0.3188798E+03 3,-3 18 3 -3 3.021165 -1.170218 -1.160720 Rho 0.3188748E+03 3,-3 19 3 -3 -3.016045 1.182407 -1.177238 Rho 0.3189545E+03 3,-3 20 3 -3 3.004683 1.173404 1.168919 Rho 0.3188798E+03 3,-3 21 3 -3 1.173176 -1.160250 -3.018728 Rho 0.3188753E+03 3,-3 22 3 -3 1.171847 1.163497 3.036330 Rho 0.3189514E+03 3,-3 23 3 -3 -1.179542 1.175911 -3.038437 Rho 0.3190256E+03 3,-3 24 3 -3 -1.179686 -1.173767 3.020709 Rho 0.3189482E+03 3,-3 25 3 -3 -1.169753 3.025309 -1.171971 Rho 0.3189508E+03 3,-3 26 3 -3 -1.169831 -3.036381 1.171458 Rho 0.3189461E+03 3,-3 27 3 -3 1.173470 3.027946 1.180140 Rho 0.3189487E+03 3,-3 28 3 -3 1.164815 -3.016574 -1.170149 Rho 0.3188749E+03 3,-3 29 3 -3 3.384150 -1.506717 1.500334 Rho 0.3189777E+03 3,-3 30 3 -3 -3.384585 -1.506395 -1.498158 Rho 0.3190453E+03 3,-3 31 3 -3 3.390793 1.500517 -1.490240 Rho 0.3189759E+03 3,-3 32 3 -3 -3.384360 1.495510 1.484933 Rho 0.3189771E+03 3,-3 33 3 -3 1.502408 -1.497952 3.391477 Rho 0.3190446E+03 3,-3 34 3 -3 1.514256 1.499406 -3.384657 Rho 0.3190412E+03 3,-3 35 3 -3 -1.504724 1.492500 3.384666 Rho 0.3190390E+03 3,-3 36 3 -3 -1.495580 -1.487193 -3.391971 Rho 0.3190398E+03 3,-3 37 3 -3 -1.498456 -3.384750 -1.509945 Rho 0.3189776E+03 3,-3 38 3 -3 -1.497134 3.385050 1.505522 Rho 0.3190383E+03 3,-3 39 3 -3 1.496848 -3.391770 1.502109 Rho 0.3190405E+03 3,-3 40 3 -3 1.493296 3.386397 -1.495614 Rho 0.3190379E+03 3,-3 41 3 -3 -0.195304 -3.745349 3.768051 Rho 0.3195535E+03 3,-3 42 3 -3 0.192887 -3.727398 -3.756815 Rho 0.3194045E+03 3,-3 43 3 -3 -0.200656 3.736487 -3.770318 Rho 0.3195510E+03 3,-3 44 3 -3 0.203593 3.744463 3.766392 Rho 0.3195534E+03 3,-3 45 3 -3 3.733538 -3.757693 -0.191266 Rho 0.3194052E+03 3,-3 46 3 -3 3.733806 3.760784 0.183523 Rho 0.3194045E+03 3,-3 47 3 -3 -3.731656 3.760635 -0.187307 Rho 0.3194044E+03 3,-3 48 3 -3 -3.735283 -3.755740 0.195197 Rho 0.3194047E+03 3,-3 49 3 -3 -3.776391 0.190080 -3.741312 Rho 0.3195535E+03 3,-3 50 3 -3 -3.752417 -0.188158 3.733924 Rho 0.3194048E+03 3,-3 51 3 -3 3.753782 0.192338 3.734444 Rho 0.3194041E+03 3,-3 52 3 -3 3.758052 -0.194792 -3.732332 Rho 0.3194050E+03 3,-3 53 3 -3 0.006665 -0.006726 -0.000192 Rho 0.2439501E+04 3,-3 54 3 -1 -1.681290 1.687883 0.484984 Rho 0.4023245E-01 |GRAD(Rho)| 0.2024650E-15 GRAD(Rho)x -0.7389537E-16 GRAD(Rho)y -0.2214864E-16 GRAD(Rho)z 0.1871924E-15 Laplacian 0.1592977E+00 (-1/4)Del**2(Rho)) -0.3982443E-01 Diamond 0.5931125E-01 Metallicity 0.2043452E+01 Ellipticity 0.1145723E-01 Gb(Abramov) 0.4011283E-01 Vb(Abramov) -0.4040124E-01 Hb(Abramov) -0.2884062E-03 Ex_ueg -0.1018170E-01 Ec_ueg -0.1882538E-02 Delta_ex -0.1237426E-01 Delta_ec 0.4673362E-02 Delta_et -0.4650819E-01 Pxc 0.5408498E+01 Qxc -0.2647829E+01 3,-1 55 3 +1 -2.114335 1.191473 1.159766 Rho 0.2560182E-01 |GRAD(Rho)| 0.3476333E-15 GRAD(Rho)x -0.1739832E-15 GRAD(Rho)y -0.1810182E-15 GRAD(Rho)z -0.2404394E-15 Laplacian 0.1033960E+00 (-1/4)Del**2(Rho)) -0.2584900E-01 Diamond 0.1522981E-01 Metallicity 0.1482156E+01 Ellipticity -0.6385162E+01 Gb(Abramov) 0.2361804E-01 Vb(Abramov) -0.2138709E-01 Hb(Abramov) 0.2230957E-02 Ex_ueg -0.5572876E-02 Ec_ueg -0.1119062E-02 Delta_ex -0.6603898E-02 Delta_ec 0.1990597E-02 Delta_et -0.1762298E-01 Pxc 0.4979952E+01 Qxc -0.3317546E+01 3,+1 56 3 +1 -2.002013 -1.989433 -2.007149 Rho 0.1245640E-01 |GRAD(Rho)| 0.2580722E-16 GRAD(Rho)x -0.8511662E-17 GRAD(Rho)y -0.1053132E-16 GRAD(Rho)z 0.2196942E-16 Laplacian 0.5895873E-01 (-1/4)Del**2(Rho)) -0.1473968E-01 Diamond 0.2071528E-02 Metallicity 0.7823225E+00 Ellipticity -0.1161098E+01 Gb(Abramov) 0.1174832E-01 Vb(Abramov) -0.8756955E-02 Hb(Abramov) 0.2991363E-02 Ex_ueg -0.2132595E-02 Ec_ueg -0.4806787E-03 Delta_ex -0.2812674E-02 Delta_ec 0.5615228E-03 Delta_et -0.4402435E-02 Pxc 0.4436633E+01 Qxc -0.5009011E+01 3,+1 57 3 -1 -2.965535 -1.986684 -0.836950 Rho 0.1382581E+00 |GRAD(Rho)| 0.1573083E-15 GRAD(Rho)x -0.8998200E-16 GRAD(Rho)y -0.8283305E-16 GRAD(Rho)z 0.9893345E-16 Laplacian 0.5503527E+00 (-1/4)Del**2(Rho)) -0.1375882E+00 Diamond 0.1017684E+01 Metallicity 0.4628672E+01 Ellipticity 0.2528438E-01 Gb(Abramov) 0.1978672E+00 Vb(Abramov) -0.2581462E+00 Hb(Abramov) -0.6027904E-01 Ex_ueg -0.5280064E-01 Ec_ueg -0.7696155E-02 Delta_ex -0.5800783E-01 Delta_ec 0.1437330E-01 Delta_et -0.1893343E+00 Pxc 0.6860653E+01 Qxc -0.4035804E+01 3,-1 58 3 -1 -2.770588 -1.814957 0.575356 Rho 0.1447256E+00 |GRAD(Rho)| 0.2375445E-15 GRAD(Rho)x 0.4305638E-16 GRAD(Rho)y 0.1751529E-15 GRAD(Rho)z 0.1545801E-15 Laplacian 0.6114151E+00 (-1/4)Del**2(Rho)) -0.1528538E+00 Diamond 0.1190226E+01 Metallicity 0.4496273E+01 Ellipticity 0.8333217E-02 Gb(Abramov) 0.2164479E+00 Vb(Abramov) -0.2800420E+00 Hb(Abramov) -0.6359413E-01 Ex_ueg -0.5611930E-01 Ec_ueg -0.8106737E-02 Delta_ex -0.6512122E-01 Delta_ec 0.1571309E-01 Delta_et -0.2082467E+00 Pxc 0.6922551E+01 Qxc -0.4144394E+01 3,-1 59 3 +3 -0.004899 0.001151 2.362678 Rho 0.4284137E-02 |GRAD(Rho)| 0.6644549E-17 GRAD(Rho)x 0.8677853E-18 GRAD(Rho)y -0.4365925E-17 GRAD(Rho)z -0.4933120E-17 Laplacian 0.1769317E-01 (-1/4)Del**2(Rho)) -0.4423292E-02 Diamond 0.1524927E-03 Metallicity 0.4401288E+00 Ellipticity -0.3005429E+00 Gb(Abramov) 0.3273331E-02 Vb(Abramov) -0.2123370E-02 Hb(Abramov) 0.1149961E-02 Ex_ueg -0.5138892E-03 Ec_ueg -0.1162376E-03 Delta_ex -0.6456224E-03 Delta_ec 0.1848372E-03 Delta_et -0.1110881E-02 Pxc 0.4421025E+01 Qxc -0.3492924E+01 3,+3 60 3 +1 -2.100187 -1.060159 -1.314313 Rho 0.2394554E-01 |GRAD(Rho)| 0.1595444E-16 GRAD(Rho)x -0.1192134E-16 GRAD(Rho)y -0.1068409E-17 GRAD(Rho)z -0.1054914E-16 Laplacian 0.9490955E-01 (-1/4)Del**2(Rho)) -0.2372739E-01 Diamond 0.1215961E-01 Metallicity 0.1444367E+01 Ellipticity -0.4022305E+01 Gb(Abramov) 0.2153010E-01 Vb(Abramov) -0.1933281E-01 Hb(Abramov) 0.2197286E-02 Ex_ueg -0.5097429E-02 Ec_ueg -0.1035771E-02 Delta_ex -0.5888470E-02 Delta_ec 0.1705291E-02 Delta_et -0.1486977E-01 Pxc 0.4921384E+01 Qxc -0.3453058E+01 3,+1 61 3 +3 -2.359432 -0.016954 -0.035083 Rho 0.4330091E-02 |GRAD(Rho)| 0.6627690E-14 GRAD(Rho)x 0.5110459E-14 GRAD(Rho)y 0.2984124E-14 GRAD(Rho)z 0.2984040E-14 Laplacian 0.1793526E-01 (-1/4)Del**2(Rho)) -0.4483816E-02 Diamond 0.1581043E-03 Metallicity 0.4419778E+00 Ellipticity -0.2869233E+00 Gb(Abramov) 0.3319502E-02 Vb(Abramov) -0.2155188E-02 Hb(Abramov) 0.1164314E-02 Ex_ueg -0.5212521E-03 Ec_ueg -0.1181988E-03 Delta_ex -0.6576337E-03 Delta_ec 0.1899263E-03 Delta_et -0.1141353E-02 Pxc 0.4409961E+01 Qxc -0.3462572E+01 3,+3 62 3 +1 -2.901536 -0.082122 -0.097960 Rho 0.4862794E-02 |GRAD(Rho)| 0.1278227E-16 GRAD(Rho)x 0.6373485E-17 GRAD(Rho)y -0.5237640E-17 GRAD(Rho)z -0.9763818E-17 Laplacian 0.2001161E-01 (-1/4)Del**2(Rho)) -0.5002903E-02 Diamond 0.4799729E-03 Metallicity 0.4806263E+00 Ellipticity -0.4771549E+01 Gb(Abramov) 0.3736023E-02 Vb(Abramov) -0.2469143E-02 Hb(Abramov) 0.1266880E-02 Ex_ueg -0.6084612E-03 Ec_ueg -0.1410131E-03 Delta_ex -0.1018968E-02 Delta_ec 0.6825098E-03 Delta_et -0.3654517E-02 Pxc 0.4314928E+01 Qxc -0.1492972E+01 3,+1 63 3 -1 -2.985107 -0.842561 -1.980827 Rho 0.1383401E+00 |GRAD(Rho)| 0.5163251E-14 GRAD(Rho)x 0.1180080E-14 GRAD(Rho)y 0.3829673E-14 GRAD(Rho)z -0.3255791E-14 Laplacian 0.5491390E+00 (-1/4)Del**2(Rho)) -0.1372847E+00 Diamond 0.1001400E+01 Metallicity 0.4643490E+01 Ellipticity 0.4692493E-01 Gb(Abramov) 0.1977699E+00 Vb(Abramov) -0.2582550E+00 Hb(Abramov) -0.6048514E-01 Ex_ueg -0.5284241E-01 Ec_ueg -0.7701345E-02 Delta_ex -0.5772442E-01 Delta_ec 0.1404707E-01 Delta_et -0.1844604E+00 Pxc 0.6861452E+01 Qxc -0.4109357E+01 3,-1 64 3 +1 -1.678985 -0.553252 0.531303 Rho 0.8791113E-02 |GRAD(Rho)| 0.9859754E-15 GRAD(Rho)x 0.4056746E-15 GRAD(Rho)y -0.2537948E-15 GRAD(Rho)z -0.8620695E-15 Laplacian 0.3670313E-01 (-1/4)Del**2(Rho)) -0.9175782E-02 Diamond 0.1065486E-02 Metallicity 0.7030451E+00 Ellipticity -0.1435908E+01 Gb(Abramov) 0.7192352E-02 Vb(Abramov) -0.5208923E-02 Hb(Abramov) 0.1983429E-02 Ex_ueg -0.1340017E-02 Ec_ueg -0.3135391E-03 Delta_ex -0.1709469E-02 Delta_ec 0.5581838E-03 Delta_et -0.3803114E-02 Pxc 0.4273842E+01 Qxc -0.3062555E+01 3,+1 65 3 +1 -1.749783 -1.769122 1.758697 Rho 0.1223898E-01 |GRAD(Rho)| 0.8380611E-16 GRAD(Rho)x -0.6015251E-16 GRAD(Rho)y 0.5835343E-16 GRAD(Rho)z 0.1278131E-18 Laplacian 0.6176490E-01 (-1/4)Del**2(Rho)) -0.1544122E-01 Diamond 0.2541868E-02 Metallicity 0.7251820E+00 Ellipticity -0.1249832E+01 Gb(Abramov) 0.1216043E-01 Vb(Abramov) -0.8879641E-02 Hb(Abramov) 0.3280792E-02 Ex_ueg -0.2083110E-02 Ec_ueg -0.4706125E-03 Delta_ex -0.3051605E-02 Delta_ec 0.8012472E-03 Delta_et -0.6037389E-02 Pxc 0.4426380E+01 Qxc -0.3808568E+01 3,+1 66 3 +1 -1.754953 1.762633 -1.774731 Rho 0.1212456E-01 |GRAD(Rho)| 0.4071846E-13 GRAD(Rho)x 0.2462876E-13 GRAD(Rho)y 0.3198808E-13 GRAD(Rho)z 0.5308527E-14 Laplacian 0.6122419E-01 (-1/4)Del**2(Rho)) -0.1530605E-01 Diamond 0.2496879E-02 Metallicity 0.7202230E+00 Ellipticity -0.1247716E+01 Gb(Abramov) 0.1204133E-01 Vb(Abramov) -0.8776605E-02 Hb(Abramov) 0.3264721E-02 Ex_ueg -0.2057184E-02 Ec_ueg -0.4653224E-03 Delta_ex -0.3020108E-02 Delta_ec 0.7990767E-03 Delta_et -0.6003536E-02 Pxc 0.4420988E+01 Qxc -0.3779498E+01 3,+1 67 3 +1 -1.687409 0.517210 -0.568161 Rho 0.8374306E-02 |GRAD(Rho)| 0.7914720E-15 GRAD(Rho)x -0.5366801E-16 GRAD(Rho)y 0.6900218E-15 GRAD(Rho)z 0.3839499E-15 Laplacian 0.3471989E-01 (-1/4)Del**2(Rho)) -0.8679973E-02 Diamond 0.9664304E-03 Metallicity 0.6854085E+00 Ellipticity -0.1450636E+01 Gb(Abramov) 0.6778204E-02 Vb(Abramov) -0.4876434E-02 Hb(Abramov) 0.1901770E-02 Ex_ueg -0.1255982E-02 Ec_ueg -0.2948933E-03 Delta_ex -0.1608352E-02 Delta_ec 0.5472016E-03 Delta_et -0.3666568E-02 Pxc 0.4259108E+01 Qxc -0.2939232E+01 3,+1 68 3 +1 -1.991562 2.001834 2.001792 Rho 0.1246147E-01 |GRAD(Rho)| 0.1658502E-16 GRAD(Rho)x 0.1895279E-17 GRAD(Rho)y -0.1425576E-16 GRAD(Rho)z 0.8261001E-17 Laplacian 0.5895982E-01 (-1/4)Del**2(Rho)) -0.1473995E-01 Diamond 0.2082870E-02 Metallicity 0.7828394E+00 Ellipticity -0.1167529E+01 Gb(Abramov) 0.1174981E-01 Vb(Abramov) -0.8759657E-02 Hb(Abramov) 0.2990149E-02 Ex_ueg -0.2133754E-02 Ec_ueg -0.4809139E-03 Delta_ex -0.2815827E-02 Delta_ec 0.5665073E-03 Delta_et -0.4436802E-02 Pxc 0.4436872E+01 Qxc -0.4970505E+01 3,+1 69 3 +1 -0.551324 0.531323 -1.700862 Rho 0.8098773E-02 |GRAD(Rho)| 0.6243250E-15 GRAD(Rho)x 0.2063779E-15 GRAD(Rho)y -0.3603346E-15 GRAD(Rho)z 0.4662069E-15 Laplacian 0.3328776E-01 (-1/4)Del**2(Rho)) -0.8321941E-02 Diamond 0.8947805E-03 Metallicity 0.6761254E+00 Ellipticity -0.1458699E+01 Gb(Abramov) 0.6485740E-02 Vb(Abramov) -0.4649539E-02 Hb(Abramov) 0.1836201E-02 Ex_ueg -0.1201187E-02 Ec_ueg -0.2826099E-03 Delta_ex -0.1533923E-02 Delta_ec 0.5328455E-03 Delta_et -0.3532789E-02 Pxc 0.4250336E+01 Qxc -0.2878739E+01 3,+1 70 3 +1 -1.032971 1.328395 2.103120 Rho 0.2398063E-01 |GRAD(Rho)| 0.7684001E-14 GRAD(Rho)x -0.6510811E-14 GRAD(Rho)y -0.2851468E-14 GRAD(Rho)z 0.2919304E-14 Laplacian 0.9475247E-01 (-1/4)Del**2(Rho)) -0.2368812E-01 Diamond 0.1181929E-01 Metallicity 0.1450297E+01 Ellipticity -0.3467990E+01 Gb(Abramov) 0.2151788E-01 Vb(Abramov) -0.1934764E-01 Hb(Abramov) 0.2170237E-02 Ex_ueg -0.5107392E-02 Ec_ueg -0.1037529E-02 Delta_ex -0.5841430E-02 Delta_ec 0.1631825E-02 Delta_et -0.1425178E-01 Pxc 0.4922652E+01 Qxc -0.3579691E+01 3,+1 71 3 +3 2.364302 0.003486 -0.002116 Rho 0.4493636E-02 |GRAD(Rho)| 0.1377115E-16 GRAD(Rho)x 0.6620936E-17 GRAD(Rho)y -0.8716308E-17 GRAD(Rho)z -0.8356658E-17 Laplacian 0.1865214E-01 (-1/4)Del**2(Rho)) -0.4663036E-02 Diamond 0.1716587E-03 Metallicity 0.4520789E+00 Ellipticity -0.2750093E+00 Gb(Abramov) 0.3460034E-02 Vb(Abramov) -0.2257032E-02 Hb(Abramov) 0.1203002E-02 Ex_ueg -0.5476658E-03 Ec_ueg -0.1251874E-03 Delta_ex -0.6889493E-03 Delta_ec 0.1951566E-03 Delta_et -0.1186585E-02 Pxc 0.4374767E+01 Qxc -0.3530239E+01 3,+3 72 3 +1 -1.032596 2.102086 1.331968 Rho 0.2391033E-01 |GRAD(Rho)| 0.4298759E-16 GRAD(Rho)x -0.1694795E-17 GRAD(Rho)y -0.3721229E-16 GRAD(Rho)z -0.2145475E-16 Laplacian 0.9449030E-01 (-1/4)Del**2(Rho)) -0.2362258E-01 Diamond 0.1179301E-01 Metallicity 0.1447222E+01 Ellipticity -0.3533106E+01 Gb(Abramov) 0.2144624E-01 Vb(Abramov) -0.1926990E-01 Hb(Abramov) 0.2176340E-02 Ex_ueg -0.5087438E-02 Ec_ueg -0.1034009E-02 Delta_ex -0.5826941E-02 Delta_ec 0.1638408E-02 Delta_et -0.1429601E-01 Pxc 0.4920111E+01 Qxc -0.3556465E+01 3,+1 73 3 -1 -1.800471 2.790380 -0.577828 Rho 0.1471035E+00 |GRAD(Rho)| 0.4747603E-15 GRAD(Rho)x -0.3249083E-15 GRAD(Rho)y -0.8363265E-16 GRAD(Rho)z 0.3359129E-15 Laplacian 0.6188563E+00 (-1/4)Del**2(Rho)) -0.1547141E+00 Diamond 0.1226912E+01 Metallicity 0.4564521E+01 Ellipticity 0.1297025E-01 Gb(Abramov) 0.2208420E+00 Vb(Abramov) -0.2869699E+00 Hb(Abramov) -0.6612791E-01 Ex_ueg -0.5735208E-01 Ec_ueg -0.8258357E-02 Delta_ex -0.6616066E-01 Delta_ec 0.1581122E-01 Delta_et -0.2099765E+00 Pxc 0.6944733E+01 Qxc -0.4184411E+01 3,-1 74 3 +1 1.691449 -0.543075 -0.536680 Rho 0.8847633E-02 |GRAD(Rho)| 0.7003252E-13 GRAD(Rho)x -0.3422962E-13 GRAD(Rho)y -0.9285135E-14 GRAD(Rho)z 0.6038770E-13 Laplacian 0.3687146E-01 (-1/4)Del**2(Rho)) -0.9217866E-02 Diamond 0.1077197E-02 Metallicity 0.7073505E+00 Ellipticity -0.1437683E+01 Gb(Abramov) 0.7231954E-02 Vb(Abramov) -0.5246042E-02 Hb(Abramov) 0.1985912E-02 Ex_ueg -0.1351516E-02 Ec_ueg -0.3160735E-03 Delta_ex -0.1718956E-02 Delta_ec 0.5587622E-03 Delta_et -0.3814924E-02 Pxc 0.4275955E+01 Qxc -0.3076364E+01 3,+1 75 3 +1 -0.533577 -0.555329 1.688983 Rho 0.8473549E-02 |GRAD(Rho)| 0.1127678E-14 GRAD(Rho)x 0.1215391E-15 GRAD(Rho)y 0.8284389E-15 GRAD(Rho)z -0.7553637E-15 Laplacian 0.3511625E-01 (-1/4)Del**2(Rho)) -0.8779063E-02 Diamond 0.9860908E-03 Metallicity 0.6911101E+00 Ellipticity -0.1447892E+01 Gb(Abramov) 0.6863925E-02 Vb(Abramov) -0.4948788E-02 Hb(Abramov) 0.1915138E-02 Ex_ueg -0.1275867E-02 Ec_ueg -0.2993259E-03 Delta_ex -0.1628171E-02 Delta_ec 0.5475704E-03 Delta_et -0.3684783E-02 Pxc 0.4262469E+01 Qxc -0.2973447E+01 3,+1 76 3 +1 -0.530581 1.687821 -0.554734 Rho 0.8428923E-02 |GRAD(Rho)| 0.7392568E-17 GRAD(Rho)x -0.3616831E-17 GRAD(Rho)y -0.6288373E-17 GRAD(Rho)z 0.1423015E-17 Laplacian 0.3500328E-01 (-1/4)Del**2(Rho)) -0.8750821E-02 Diamond 0.9760383E-03 Metallicity 0.6872655E+00 Ellipticity -0.1443617E+01 Gb(Abramov) 0.6836237E-02 Vb(Abramov) -0.4921653E-02 Hb(Abramov) 0.1914584E-02 Ex_ueg -0.1266916E-02 Ec_ueg -0.2973322E-03 Delta_ex -0.1620881E-02 Delta_ec 0.5459380E-03 Delta_et -0.3668585E-02 Pxc 0.4260945E+01 Qxc -0.2968984E+01 3,+1 77 3 +3 0.005939 2.359531 -0.000003 Rho 0.4252773E-02 |GRAD(Rho)| 0.4388036E-17 GRAD(Rho)x -0.3772369E-17 GRAD(Rho)y -0.1588230E-17 GRAD(Rho)z 0.1581649E-17 Laplacian 0.1754016E-01 (-1/4)Del**2(Rho)) -0.4385039E-02 Diamond 0.1494519E-03 Metallicity 0.4385643E+00 Ellipticity -0.2959528E+00 Gb(Abramov) 0.3243880E-02 Vb(Abramov) -0.2102720E-02 Hb(Abramov) 0.1141160E-02 Ex_ueg -0.5088791E-03 Ec_ueg -0.1148996E-03 Delta_ex -0.6386093E-03 Delta_ec 0.1827761E-03 Delta_et -0.1097050E-02 Pxc 0.4428900E+01 Qxc -0.3493942E+01 3,+3 78 3 -1 1.683121 1.690644 -0.495889 Rho 0.4030396E-01 |GRAD(Rho)| 0.2560604E-13 GRAD(Rho)x 0.1739285E-13 GRAD(Rho)y -0.1288798E-14 GRAD(Rho)z 0.1874825E-13 Laplacian 0.1595816E+00 (-1/4)Del**2(Rho)) -0.3989539E-01 Diamond 0.5948482E-01 Metallicity 0.2045864E+01 Ellipticity 0.1214228E-01 Gb(Abramov) 0.4020035E-01 Vb(Abramov) -0.4050531E-01 Hb(Abramov) -0.3049597E-03 Ex_ueg -0.1020584E-01 Ec_ueg -0.1886377E-02 Delta_ex -0.1239744E-01 Delta_ec 0.4673858E-02 Delta_et -0.4653434E-01 Pxc 0.5410288E+01 Qxc -0.2652506E+01 3,-1 79 3 +3 -0.017825 0.005624 -2.362077 Rho 0.4280846E-02 |GRAD(Rho)| 0.6329591E-17 GRAD(Rho)x -0.3176797E-17 GRAD(Rho)y 0.5360660E-17 GRAD(Rho)z 0.1111307E-17 Laplacian 0.1768352E-01 (-1/4)Del**2(Rho)) -0.4420881E-02 Diamond 0.1520813E-03 Metallicity 0.4398052E+00 Ellipticity -0.3010445E+00 Gb(Abramov) 0.3271308E-02 Vb(Abramov) -0.2121736E-02 Hb(Abramov) 0.1149573E-02 Ex_ueg -0.5133629E-03 Ec_ueg -0.1160971E-03 Delta_ex -0.6449530E-03 Delta_ec 0.1843905E-03 Delta_et -0.1108411E-02 Pxc 0.4421839E+01 Qxc -0.3497756E+01 3,+3 80 3 +3 -1.101630 1.095857 -1.131327 Rho 0.4774556E-02 |GRAD(Rho)| 0.3174134E-16 GRAD(Rho)x -0.2181787E-16 GRAD(Rho)y -0.1426065E-16 GRAD(Rho)z -0.1811428E-16 Laplacian 0.1946529E-01 (-1/4)Del**2(Rho)) -0.4866323E-02 Diamond 0.1381423E-03 Metallicity 0.4792630E+00 Ellipticity -0.7061551E-01 Gb(Abramov) 0.3632923E-02 Vb(Abramov) -0.2399524E-02 Hb(Abramov) 0.1233400E-02 Ex_ueg -0.5937848E-03 Ec_ueg -0.1372240E-03 Delta_ex -0.6743657E-03 Delta_ec 0.1043136E-03 Delta_et -0.7653437E-03 Pxc 0.4327122E+01 Qxc -0.6464793E+01 3,+3 81 3 -1 -0.831441 1.981337 2.977269 Rho 0.1300599E+00 |GRAD(Rho)| 0.7836088E-14 GRAD(Rho)x 0.7401157E-14 GRAD(Rho)y -0.2538612E-14 GRAD(Rho)z 0.4273112E-15 Laplacian 0.5152516E+00 (-1/4)Del**2(Rho)) -0.1288129E+00 Diamond 0.8736024E+00 Metallicity 0.4465116E+01 Ellipticity 0.3749370E-01 Gb(Abramov) 0.1817360E+00 Vb(Abramov) -0.2346592E+00 Hb(Abramov) -0.5292314E-01 Ex_ueg -0.4866793E-01 Ec_ueg -0.7179559E-02 Delta_ex -0.5337074E-01 Delta_ec 0.1340346E-01 Delta_et -0.1743811E+00 Pxc 0.6778680E+01 Qxc -0.3981863E+01 3,-1 82 3 -1 -0.577559 2.776954 -1.831965 Rho 0.1295649E+00 |GRAD(Rho)| 0.5960780E-16 GRAD(Rho)x -0.8077306E-17 GRAD(Rho)y 0.5686302E-16 GRAD(Rho)z 0.1595132E-16 Laplacian 0.5451288E+00 (-1/4)Del**2(Rho)) -0.1362822E+00 Diamond 0.9183047E+00 Metallicity 0.4193657E+01 Ellipticity 0.6271108E-02 Gb(Abramov) 0.1861083E+00 Vb(Abramov) -0.2359343E+00 Hb(Abramov) -0.4982606E-01 Ex_ueg -0.4842112E-01 Ec_ueg -0.7148507E-02 Delta_ex -0.5639256E-01 Delta_ec 0.1415627E-01 Delta_et -0.1839925E+00 Pxc 0.6773598E+01 Qxc -0.3983576E+01 3,-1 83 3 -1 -0.586139 1.812689 -2.802936 Rho 0.1416881E+00 |GRAD(Rho)| 0.1882907E-15 GRAD(Rho)x -0.2743031E-16 GRAD(Rho)y -0.1636332E-15 GRAD(Rho)z -0.8902316E-16 Laplacian 0.5941757E+00 (-1/4)Del**2(Rho)) -0.1485439E+00 Diamond 0.1109189E+01 Metallicity 0.4466016E+01 Ellipticity 0.2085296E-01 Gb(Abramov) 0.2095959E+00 Vb(Abramov) -0.2706478E+00 Hb(Abramov) -0.6105196E-01 Ex_ueg -0.5455435E-01 Ec_ueg -0.7913571E-02 Delta_ex -0.6276073E-01 Delta_ec 0.1499685E-01 Delta_et -0.1973867E+00 Pxc 0.6893771E+01 Qxc -0.4184928E+01 3,-1 84 3 -1 -0.827458 2.971383 1.994429 Rho 0.1298927E+00 |GRAD(Rho)| 0.1001530E-11 GRAD(Rho)x -0.7267224E-12 GRAD(Rho)y 0.4038020E-12 GRAD(Rho)z -0.5584631E-12 Laplacian 0.5150685E+00 (-1/4)Del**2(Rho)) -0.1287671E+00 Diamond 0.8719626E+00 Metallicity 0.4457135E+01 Ellipticity 0.3706201E-01 Gb(Abramov) 0.1815002E+00 Vb(Abramov) -0.2342332E+00 Hb(Abramov) -0.5273304E-01 Ex_ueg -0.4858451E-01 Ec_ueg -0.7169066E-02 Delta_ex -0.5333543E-01 Delta_ec 0.1340326E-01 Delta_et -0.1743433E+00 Pxc 0.6776965E+01 Qxc -0.3979288E+01 3,-1 85 3 +1 0.538800 1.689066 0.552706 Rho 0.8350297E-02 |GRAD(Rho)| 0.1429539E-16 GRAD(Rho)x -0.9994989E-18 GRAD(Rho)y -0.9053088E-17 GRAD(Rho)z -0.1101820E-16 Laplacian 0.3447122E-01 (-1/4)Del**2(Rho)) -0.8617805E-02 Diamond 0.9501978E-03 Metallicity 0.6870574E+00 Ellipticity -0.1447744E+01 Gb(Abramov) 0.6732024E-02 Vb(Abramov) -0.4846244E-02 Hb(Abramov) 0.1885780E-02 Ex_ueg -0.1251183E-02 Ec_ueg -0.2938216E-03 Delta_ex -0.1593089E-02 Delta_ec 0.5386213E-03 Delta_et -0.3609743E-02 Pxc 0.4258310E+01 Qxc -0.2957715E+01 3,+1 86 3 +1 0.547844 -0.544181 -1.682689 Rho 0.8821326E-02 |GRAD(Rho)| 0.2119338E-16 GRAD(Rho)x -0.2168404E-17 GRAD(Rho)y 0.1198043E-16 GRAD(Rho)z 0.1734723E-16 Laplacian 0.3682969E-01 (-1/4)Del**2(Rho)) -0.9207424E-02 Diamond 0.1069771E-02 Metallicity 0.7046469E+00 Ellipticity -0.1432810E+01 Gb(Abramov) 0.7219613E-02 Vb(Abramov) -0.5231802E-02 Hb(Abramov) 0.1987811E-02 Ex_ueg -0.1346161E-02 Ec_ueg -0.3148937E-03 Delta_ex -0.1714922E-02 Delta_ec 0.5566902E-03 Delta_et -0.3798895E-02 Pxc 0.4274969E+01 Qxc -0.3080569E+01 3,+1 87 3 +1 0.559938 -1.688049 -0.524444 Rho 0.8886850E-02 |GRAD(Rho)| 0.2102738E-14 GRAD(Rho)x 0.1839813E-14 GRAD(Rho)y -0.8658032E-15 GRAD(Rho)z 0.5357043E-15 Laplacian 0.3711626E-01 (-1/4)Del**2(Rho)) -0.9279065E-02 Diamond 0.1088638E-02 Metallicity 0.7078839E+00 Ellipticity -0.1434910E+01 Gb(Abramov) 0.7280793E-02 Vb(Abramov) -0.5282522E-02 Hb(Abramov) 0.1998271E-02 Ex_ueg -0.1359509E-02 Ec_ueg -0.3178328E-03 Delta_ex -0.1731311E-02 Delta_ec 0.5607299E-03 Delta_et -0.3834088E-02 Pxc 0.4277436E+01 Qxc -0.3087602E+01 3,+1 88 3 +3 1.115702 -1.110339 -1.108268 Rho 0.5061772E-02 |GRAD(Rho)| 0.2484023E-15 GRAD(Rho)x 0.2463380E-15 GRAD(Rho)y -0.2486042E-16 GRAD(Rho)z -0.2008173E-16 Laplacian 0.2086172E-01 (-1/4)Del**2(Rho)) -0.5215430E-02 Diamond 0.1563796E-03 Metallicity 0.4929097E+00 Ellipticity -0.3244633E-01 Gb(Abramov) 0.3905409E-02 Vb(Abramov) -0.2595389E-02 Hb(Abramov) 0.1310021E-02 Ex_ueg -0.6418819E-03 Ec_ueg -0.1495721E-03 Delta_ex -0.7307324E-03 Delta_ec 0.1053103E-03 Delta_et -0.7967463E-03 Pxc 0.4291456E+01 Qxc -0.6938848E+01 3,+3 89 3 +3 -1.087922 -1.125553 1.118050 Rho 0.4917197E-02 |GRAD(Rho)| 0.5275159E-16 GRAD(Rho)x 0.3583278E-16 GRAD(Rho)y 0.7071878E-17 GRAD(Rho)z -0.3806219E-16 Laplacian 0.2014373E-01 (-1/4)Del**2(Rho)) -0.5035933E-02 Diamond 0.1467760E-03 Metallicity 0.4864101E+00 Ellipticity -0.5711033E-01 Gb(Abramov) 0.3765543E-02 Vb(Abramov) -0.2495154E-02 Hb(Abramov) 0.1270390E-02 Ex_ueg -0.6175544E-03 Ec_ueg -0.1433512E-03 Delta_ex -0.7015519E-03 Delta_ec 0.1044774E-03 Delta_et -0.7791605E-03 Pxc 0.4307982E+01 Qxc -0.6714865E+01 3,+3 90 3 +1 -0.062919 -0.047393 -2.918937 Rho 0.4855142E-02 |GRAD(Rho)| 0.7906496E-17 GRAD(Rho)x -0.3873270E-17 GRAD(Rho)y 0.6867743E-17 GRAD(Rho)z 0.5869938E-18 Laplacian 0.1981375E-01 (-1/4)Del**2(Rho)) -0.4953438E-02 Diamond 0.4902262E-03 Metallicity 0.4841534E+00 Ellipticity -0.1052451E+02 Gb(Abramov) 0.3701996E-02 Vb(Abramov) -0.2450554E-02 Hb(Abramov) 0.1251442E-02 Ex_ueg -0.6071849E-03 Ec_ueg -0.1406843E-03 Delta_ex -0.1024051E-02 Delta_ec 0.7033536E-03 Delta_et -0.3753998E-02 Pxc 0.4315939E+01 Qxc -0.1455955E+01 3,+1 91 3 -1 0.373649 -0.365174 0.366163 Rho 0.2021853E+00 |GRAD(Rho)| 0.3593574E-15 GRAD(Rho)x 0.3214933E-15 GRAD(Rho)y -0.1460216E-15 GRAD(Rho)z 0.6676455E-16 Laplacian 0.7229028E+00 (-1/4)Del**2(Rho)) -0.1807257E+00 Diamond 0.2331559E+01 Metallicity 0.6639203E+01 Ellipticity 0.3458393E-02 Gb(Abramov) 0.3204629E+00 Vb(Abramov) -0.4602001E+00 Hb(Abramov) -0.1397372E+00 Ex_ueg -0.8764312E-01 Ec_ueg -0.1186439E-01 Delta_ex -0.8523487E-01 Delta_ec 0.1977238E-01 Delta_et -0.2818763E+00 Pxc 0.7387074E+01 Qxc -0.4310806E+01 3,-1 92 3 +1 1.756136 -1.753083 -1.754453 Rho 0.1237609E-01 |GRAD(Rho)| 0.3127347E-13 GRAD(Rho)x -0.2253173E-13 GRAD(Rho)y -0.2717247E-14 GRAD(Rho)z -0.2151668E-13 Laplacian 0.6244988E-01 (-1/4)Del**2(Rho)) -0.1561247E-01 Diamond 0.2595795E-02 Metallicity 0.7306690E+00 Ellipticity -0.1242648E+01 Gb(Abramov) 0.1230957E-01 Vb(Abramov) -0.9006672E-02 Hb(Abramov) 0.3302898E-02 Ex_ueg -0.2114283E-02 Ec_ueg -0.4769584E-03 Delta_ex -0.3090706E-02 Delta_ec 0.8032779E-03 Delta_et -0.6074344E-02 Pxc 0.4432845E+01 Qxc -0.3847618E+01 3,+1 93 3 +1 1.053680 -1.317833 2.115283 Rho 0.2459281E-01 |GRAD(Rho)| 0.2767136E-14 GRAD(Rho)x -0.1138087E-14 GRAD(Rho)y -0.2046501E-14 GRAD(Rho)z 0.1474325E-14 Laplacian 0.9806118E-01 (-1/4)Del**2(Rho)) -0.2451530E-01 Diamond 0.1293516E-01 Metallicity 0.1461491E+01 Ellipticity -0.3907079E+01 Gb(Abramov) 0.2231501E-01 Vb(Abramov) -0.2011473E-01 Hb(Abramov) 0.2200283E-02 Ex_ueg -0.5281969E-02 Ec_ueg -0.1068235E-02 Delta_ex -0.6116213E-02 Delta_ec 0.1742612E-02 Delta_et -0.1530149E-01 Pxc 0.4944578E+01 Qxc -0.3509796E+01 3,+1 94 3 +3 1.088018 1.122866 1.120676 Rho 0.4909654E-02 |GRAD(Rho)| 0.4596225E-17 GRAD(Rho)x 0.2862124E-17 GRAD(Rho)y -0.1952411E-17 GRAD(Rho)z -0.3020202E-17 Laplacian 0.2011311E-01 (-1/4)Del**2(Rho)) -0.5028277E-02 Diamond 0.1463920E-03 Metallicity 0.4859059E+00 Ellipticity -0.3360189E-01 Gb(Abramov) 0.3759396E-02 Vb(Abramov) -0.2490515E-02 Hb(Abramov) 0.1268881E-02 Ex_ueg -0.6162916E-03 Ec_ueg -0.1430269E-03 Delta_ex -0.7003302E-03 Delta_ec 0.1045673E-03 Delta_et -0.7789931E-03 Pxc 0.4308920E+01 Qxc -0.6697413E+01 3,+3 95 3 +1 1.685770 0.544280 0.534329 Rho 0.8904180E-02 |GRAD(Rho)| 0.1661128E-12 GRAD(Rho)x -0.1127335E-12 GRAD(Rho)y -0.1193042E-12 GRAD(Rho)z -0.2551698E-13 Laplacian 0.3733994E-01 (-1/4)Del**2(Rho)) -0.9334985E-02 Diamond 0.1104686E-02 Metallicity 0.7059318E+00 Ellipticity -0.1437739E+01 Gb(Abramov) 0.7321634E-02 Vb(Abramov) -0.5308283E-02 Hb(Abramov) 0.2013351E-02 Ex_ueg -0.1363045E-02 Ec_ueg -0.3186104E-03 Delta_ex -0.1745425E-02 Delta_ec 0.5691608E-03 Delta_et -0.3889936E-02 Pxc 0.4278094E+01 Qxc -0.3066664E+01 3,+1 96 3 +1 0.530749 0.554859 1.694694 Rho 0.8434617E-02 |GRAD(Rho)| 0.8371206E-17 GRAD(Rho)x 0.5692061E-17 GRAD(Rho)y 0.4824700E-17 GRAD(Rho)z 0.3794708E-17 Laplacian 0.3491087E-01 (-1/4)Del**2(Rho)) -0.8727719E-02 Diamond 0.9717371E-03 Metallicity 0.6898606E+00 Ellipticity -0.1444517E+01 Gb(Abramov) 0.6821964E-02 Vb(Abramov) -0.4916209E-02 Hb(Abramov) 0.1905755E-02 Ex_ueg -0.1268057E-02 Ec_ueg -0.2975865E-03 Delta_ex -0.1615662E-02 Delta_ec 0.5423344E-03 Delta_et -0.3646614E-02 Pxc 0.4261138E+01 Qxc -0.2979088E+01 3,+1 97 3 +1 1.993247 2.003444 -2.000624 Rho 0.1245951E-01 |GRAD(Rho)| 0.3092935E-16 GRAD(Rho)x 0.2629692E-16 GRAD(Rho)y -0.6349752E-17 GRAD(Rho)z 0.1499259E-16 Laplacian 0.5892016E-01 (-1/4)Del**2(Rho)) -0.1473004E-01 Diamond 0.2071797E-02 Metallicity 0.7831608E+00 Ellipticity -0.1164546E+01 Gb(Abramov) 0.1174269E-01 Vb(Abramov) -0.8755343E-02 Hb(Abramov) 0.2987348E-02 Ex_ueg -0.2133306E-02 Ec_ueg -0.4808230E-03 Delta_ex -0.2811277E-02 Delta_ec 0.5616019E-03 Delta_et -0.4402835E-02 Pxc 0.4436779E+01 Qxc -0.5005818E+01 3,+1 98 3 +1 1.745629 1.763014 1.770902 Rho 0.1225348E-01 |GRAD(Rho)| 0.4170525E-16 GRAD(Rho)x -0.3221395E-16 GRAD(Rho)y 0.2390213E-16 GRAD(Rho)z 0.1141392E-16 Laplacian 0.6186647E-01 (-1/4)Del**2(Rho)) -0.1546662E-01 Diamond 0.2548427E-02 Metallicity 0.7254207E+00 Ellipticity -0.1245837E+01 Gb(Abramov) 0.1218105E-01 Vb(Abramov) -0.8895475E-02 Hb(Abramov) 0.3285572E-02 Ex_ueg -0.2086399E-02 Ec_ueg -0.4712830E-03 Delta_ex -0.3057085E-02 Delta_ec 0.8016826E-03 Delta_et -0.6043085E-02 Pxc 0.4427063E+01 Qxc -0.3813335E+01 3,+1 99 3 -1 1.804310 2.792451 0.575874 Rho 0.1424768E+00 |GRAD(Rho)| 0.2372217E-15 GRAD(Rho)x -0.1452560E-15 GRAD(Rho)y 0.9343790E-16 GRAD(Rho)z 0.1626168E-15 Laplacian 0.5991721E+00 (-1/4)Del**2(Rho)) -0.1497930E+00 Diamond 0.1145522E+01 Metallicity 0.4469942E+01 Ellipticity 0.1205602E-01 Gb(Abramov) 0.2114564E+00 Vb(Abramov) -0.2731197E+00 Hb(Abramov) -0.6166335E-01 Ex_ueg -0.5495965E-01 Ec_ueg -0.7963674E-02 Delta_ex -0.6358290E-01 Delta_ec 0.1547410E-01 Delta_et -0.2046417E+00 Pxc 0.6901293E+01 Qxc -0.4108988E+01 3,-1 100 3 +3 1.826567 1.842490 -1.842103 Rho 0.1217277E-01 |GRAD(Rho)| 0.2762030E-13 GRAD(Rho)x -0.1542836E-13 GRAD(Rho)y -0.1620304E-13 GRAD(Rho)z 0.1619594E-13 Laplacian 0.5570142E-01 (-1/4)Del**2(Rho)) -0.1392535E-01 Diamond 0.1225627E-02 Metallicity 0.7968853E+00 Ellipticity -0.6706982E+00 Gb(Abramov) 0.1113305E-01 Vb(Abramov) -0.8340755E-02 Hb(Abramov) 0.2792300E-02 Ex_ueg -0.2068097E-02 Ec_ueg -0.4675504E-03 Delta_ex -0.2450472E-02 Delta_ec 0.1912237E-03 Delta_et -0.1844399E-02 Pxc 0.4423259E+01 Qxc -0.1281468E+02 3,+3 101 3 -1 1.966938 2.982491 -0.848832 Rho 0.1521288E+00 |GRAD(Rho)| 0.2390279E-15 GRAD(Rho)x 0.2025425E-15 GRAD(Rho)y -0.6868421E-16 GRAD(Rho)z 0.1067397E-15 Laplacian 0.6047118E+00 (-1/4)Del**2(Rho)) -0.1511780E+00 Diamond 0.1250882E+01 Metallicity 0.4940269E+01 Ellipticity 0.4026377E-01 Gb(Abramov) 0.2252619E+00 Vb(Abramov) -0.2993459E+00 Hb(Abramov) -0.7408397E-01 Ex_ueg -0.5997917E-01 Ec_ueg -0.8579929E-02 Delta_ex -0.6521005E-01 Delta_ec 0.1536800E-01 Delta_et -0.2051619E+00 Pxc 0.6990637E+01 Qxc -0.4243235E+01 3,-1 102 3 +1 2.118592 1.191192 -1.170041 Rho 0.2554632E-01 |GRAD(Rho)| 0.6900588E-16 GRAD(Rho)x 0.6147904E-16 GRAD(Rho)y 0.2395944E-16 GRAD(Rho)z -0.2020108E-16 Laplacian 0.1027133E+00 (-1/4)Del**2(Rho)) -0.2567832E-01 Diamond 0.1498374E-01 Metallicity 0.1486621E+01 Ellipticity -0.6072996E+01 Gb(Abramov) 0.2348120E-01 Vb(Abramov) -0.2128409E-01 Hb(Abramov) 0.2197117E-02 Ex_ueg -0.5556774E-02 Ec_ueg -0.1116260E-02 Delta_ex -0.6545958E-02 Delta_ec 0.1958521E-02 Delta_et -0.1733307E-01 Pxc 0.4978031E+01 Qxc -0.3342296E+01 3,+1 103 3 +1 2.900170 0.054764 -0.049410 Rho 0.5035767E-02 |GRAD(Rho)| 0.1269772E-16 GRAD(Rho)x -0.1360009E-18 GRAD(Rho)y 0.8637717E-17 GRAD(Rho)z 0.9306100E-17 Laplacian 0.2055243E-01 (-1/4)Del**2(Rho)) -0.5138107E-02 Diamond 0.5287597E-03 Metallicity 0.4960506E+00 Ellipticity -0.1391777E+02 Gb(Abramov) 0.3850198E-02 Vb(Abramov) -0.2562289E-02 Hb(Abramov) 0.1287909E-02 Ex_ueg -0.6374887E-03 Ec_ueg -0.1484523E-03 Delta_ex -0.1064515E-02 Delta_ec 0.7208504E-03 Delta_et -0.3893450E-02 Pxc 0.4294233E+01 Qxc -0.1476749E+01 3,+1 104 3 -1 2.767550 1.818375 0.568208 Rho 0.1372619E+00 |GRAD(Rho)| 0.2327775E-15 GRAD(Rho)x 0.1123708E-15 GRAD(Rho)y -0.1505144E-15 GRAD(Rho)z 0.1374904E-15 Laplacian 0.5797964E+00 (-1/4)Del**2(Rho)) -0.1449491E+00 Diamond 0.1060382E+01 Metallicity 0.4340977E+01 Ellipticity 0.9751947E-02 Gb(Abramov) 0.2015029E+00 Vb(Abramov) -0.2580566E+00 Hb(Abramov) -0.5655375E-01 Ex_ueg -0.5229397E-01 Ec_ueg -0.7633146E-02 Delta_ex -0.6097640E-01 Delta_ec 0.1511923E-01 Delta_et -0.1988373E+00 Pxc 0.6850907E+01 Qxc -0.4033036E+01 3,-1 105 3 -1 2.970885 1.984381 -0.843870 Rho 0.1434328E+00 |GRAD(Rho)| 0.3452337E-14 GRAD(Rho)x -0.1050565E-14 GRAD(Rho)y 0.2043247E-14 GRAD(Rho)z 0.2576837E-14 Laplacian 0.5721291E+00 (-1/4)Del**2(Rho)) -0.1430323E+00 Diamond 0.1104334E+01 Metallicity 0.4733693E+01 Ellipticity 0.2891194E-01 Gb(Abramov) 0.2082000E+00 Vb(Abramov) -0.2733677E+00 Hb(Abramov) -0.6516773E-01 Ex_ueg -0.5545191E-01 Ec_ueg -0.8024456E-02 Delta_ex -0.6083018E-01 Delta_ec 0.1478349E-01 Delta_et -0.1957712E+00 Pxc 0.6910364E+01 Qxc -0.4114738E+01 3,-1 106 3 -1 3.183087 3.210919 0.047742 Rho 0.2532463E+00 |GRAD(Rho)| 0.6333241E-13 GRAD(Rho)x -0.5347394E-13 GRAD(Rho)y -0.3272382E-13 GRAD(Rho)z -0.8982398E-14 Laplacian 0.9127237E+00 (-1/4)Del**2(Rho)) -0.2281809E+00 Diamond 0.3438865E+01 Metallicity 0.7653247E+01 Ellipticity 0.1319732E-02 Gb(Abramov) 0.4431748E+00 Vb(Abramov) -0.6581686E+00 Hb(Abramov) -0.2149939E+00 Ex_ueg -0.1183339E+00 Ec_ueg -0.1535959E-01 Delta_ex -0.1118145E+00 Delta_ec 0.1979697E-01 Delta_et -0.2744120E+00 Pxc 0.7704234E+01 Qxc -0.5648062E+01 3,-1 107 3 -1 -1.800111 -2.795497 0.583024 Rho 0.1489861E+00 |GRAD(Rho)| 0.1466573E-12 GRAD(Rho)x 0.8952854E-13 GRAD(Rho)y -0.1113164E-12 GRAD(Rho)z -0.3319163E-13 Laplacian 0.6260858E+00 (-1/4)Del**2(Rho)) -0.1565214E+00 Diamond 0.1259662E+01 Metallicity 0.4608459E+01 Ellipticity 0.1244730E-01 Gb(Abramov) 0.2245681E+00 Vb(Abramov) -0.2926147E+00 Hb(Abramov) -0.6804663E-01 Ex_ueg -0.5833280E-01 Ec_ueg -0.8378644E-02 Delta_ex -0.6713575E-01 Delta_ec 0.1593339E-01 Delta_et -0.2119529E+00 Pxc 0.6962082E+01 Qxc -0.4213526E+01 3,-1 108 3 -1 -2.777343 -0.574648 1.800252 Rho 0.1408376E+00 |GRAD(Rho)| 0.1047198E-15 GRAD(Rho)x 0.1245477E-16 GRAD(Rho)y -0.6109479E-16 GRAD(Rho)z -0.8413409E-16 Laplacian 0.5953040E+00 (-1/4)Del**2(Rho)) -0.1488260E+00 Diamond 0.1122529E+01 Metallicity 0.4413050E+01 Ellipticity 0.8708772E-02 Gb(Abramov) 0.2086801E+00 Vb(Abramov) -0.2685342E+00 Hb(Abramov) -0.5985410E-01 Ex_ueg -0.5411820E-01 Ec_ueg -0.7859595E-02 Delta_ex -0.6299577E-01 Delta_ec 0.1541983E-01 Delta_et -0.2035752E+00 Pxc 0.6885622E+01 Qxc -0.4085373E+01 3,-1 109 3 +1 -1.345683 -1.022398 -2.103131 Rho 0.2408095E-01 |GRAD(Rho)| 0.6349100E-16 GRAD(Rho)x -0.1719132E-16 GRAD(Rho)y -0.1036791E-16 GRAD(Rho)z -0.6023348E-16 Laplacian 0.9494741E-01 (-1/4)Del**2(Rho)) -0.2373685E-01 Diamond 0.1166920E-01 Metallicity 0.1457424E+01 Ellipticity -0.3195627E+01 Gb(Abramov) 0.2159035E-01 Vb(Abramov) -0.1944384E-01 Hb(Abramov) 0.2146507E-02 Ex_ueg -0.5135899E-02 Ec_ueg -0.1042553E-02 Delta_ex -0.5832246E-02 Delta_ec 0.1585727E-02 Delta_et -0.1387605E-01 Pxc 0.4926269E+01 Qxc -0.3677963E+01 3,+1 110 3 -1 -3.221675 0.055133 -3.186973 Rho 0.2429168E+00 |GRAD(Rho)| 0.2082095E-14 GRAD(Rho)x -0.1772508E-14 GRAD(Rho)y -0.1088417E-14 GRAD(Rho)z -0.9318718E-16 Laplacian 0.8538872E+00 (-1/4)Del**2(Rho)) -0.2134718E+00 Diamond 0.3091060E+01 Metallicity 0.7632061E+01 Ellipticity 0.4856431E-03 Gb(Abramov) 0.4138529E+00 Vb(Abramov) -0.6142339E+00 Hb(Abramov) -0.2003810E+00 Ex_ueg -0.1119425E+00 Ec_ueg -0.1464098E-01 Delta_ex -0.1036339E+00 Delta_ec 0.1904675E-01 Delta_et -0.2650609E+00 Pxc 0.7645838E+01 Qxc -0.5441029E+01 3,-1 111 3 -1 -3.199152 -0.053915 3.186218 Rho 0.2532458E+00 |GRAD(Rho)| 0.1645065E-10 GRAD(Rho)x -0.1152234E-10 GRAD(Rho)y -0.2788252E-11 GRAD(Rho)z 0.1140550E-10 Laplacian 0.9132485E+00 (-1/4)Del**2(Rho)) -0.2283121E+00 Diamond 0.3440249E+01 Metallicity 0.7648821E+01 Ellipticity 0.1004829E-02 Gb(Abramov) 0.4432612E+00 Vb(Abramov) -0.6582102E+00 Hb(Abramov) -0.2149490E+00 Ex_ueg -0.1183336E+00 Ec_ueg -0.1535956E-01 Delta_ex -0.1118759E+00 Delta_ec 0.1980320E-01 Delta_et -0.2744738E+00 Pxc 0.7704231E+01 Qxc -0.5649383E+01 3,-1 112 3 -1 -1.688549 0.486229 1.678168 Rho 0.4067218E-01 |GRAD(Rho)| 0.1193946E-15 GRAD(Rho)x -0.7916455E-16 GRAD(Rho)y -0.3570498E-16 GRAD(Rho)z 0.8193413E-16 Laplacian 0.1612139E+00 (-1/4)Del**2(Rho)) -0.4030347E-01 Diamond 0.6094359E-01 Metallicity 0.2056079E+01 Ellipticity 0.1124053E-01 Gb(Abramov) 0.4068016E-01 Vb(Abramov) -0.4105686E-01 Hb(Abramov) -0.3766959E-03 Ex_ueg -0.1033035E-01 Ec_ueg -0.1906156E-02 Delta_ex -0.1255844E-01 Delta_ec 0.4731759E-02 Delta_et -0.4722710E-01 Pxc 0.5419465E+01 Qxc -0.2654074E+01 3,-1 113 3 -1 -1.995372 -0.830388 -2.972229 Rho 0.1303717E+00 |GRAD(Rho)| 0.8538159E-16 GRAD(Rho)x 0.5799126E-16 GRAD(Rho)y 0.4736608E-16 GRAD(Rho)z 0.4103028E-16 Laplacian 0.5159022E+00 (-1/4)Del**2(Rho)) -0.1289756E+00 Diamond 0.8769979E+00 Metallicity 0.4477318E+01 Ellipticity 0.3740908E-01 Gb(Abramov) 0.1822278E+00 Vb(Abramov) -0.2354800E+00 Hb(Abramov) -0.5325224E-01 Ex_ueg -0.4882356E-01 Ec_ueg -0.7199125E-02 Delta_ex -0.5346633E-01 Delta_ec 0.1340779E-01 Delta_et -0.1744950E+00 Pxc 0.6781874E+01 Qxc -0.3987706E+01 3,-1 114 3 +3 -1.842271 -1.823478 -1.844311 Rho 0.1216576E-01 |GRAD(Rho)| 0.6585394E-17 GRAD(Rho)x -0.5011318E-17 GRAD(Rho)y 0.3966920E-17 GRAD(Rho)z 0.1586711E-17 Laplacian 0.5568983E-01 (-1/4)Del**2(Rho)) -0.1392246E-01 Diamond 0.1221121E-02 Metallicity 0.7962860E+00 Ellipticity -0.6768193E+00 Gb(Abramov) 0.1112935E-01 Vb(Abramov) -0.8336239E-02 Hb(Abramov) 0.2793110E-02 Ex_ueg -0.2066508E-02 Ec_ueg -0.4672263E-03 Delta_ex -0.2448619E-02 Delta_ec 0.1895324E-03 Delta_et -0.1832775E-02 Pxc 0.4422929E+01 Qxc -0.1291927E+02 3,+3 115 3 -1 -1.700625 -0.503936 -1.690845 Rho 0.3415548E-01 |GRAD(Rho)| 0.3997127E-16 GRAD(Rho)x -0.5900643E-18 GRAD(Rho)y -0.2982175E-16 GRAD(Rho)z 0.2660859E-16 Laplacian 0.1407594E+00 (-1/4)Del**2(Rho)) -0.3518985E-01 Diamond 0.4330723E-01 Metallicity 0.1760231E+01 Ellipticity 0.9241852E-02 Gb(Abramov) 0.3378362E-01 Vb(Abramov) -0.3237738E-01 Hb(Abramov) 0.1406239E-02 Ex_ueg -0.8184628E-02 Ec_ueg -0.1559877E-02 Delta_ex -0.1059809E-01 Delta_ec 0.4307862E-02 Delta_et -0.4101282E-01 Pxc 0.5246971E+01 Qxc -0.2460175E+01 3,-1 116 3 -1 -1.813399 -0.575991 2.778502 Rho 0.1429344E+00 |GRAD(Rho)| 0.4762877E-15 GRAD(Rho)x 0.4046920E-15 GRAD(Rho)y -0.2437015E-15 GRAD(Rho)z 0.6069499E-16 Laplacian 0.6010506E+00 (-1/4)Del**2(Rho)) -0.1502627E+00 Diamond 0.1153127E+01 Metallicity 0.4479848E+01 Ellipticity 0.1112993E-01 Gb(Abramov) 0.2123674E+00 Vb(Abramov) -0.2744722E+00 Hb(Abramov) -0.6210476E-01 Ex_ueg -0.5519512E-01 Ec_ueg -0.7992758E-02 Delta_ex -0.6382768E-01 Delta_ec 0.1550248E-01 Delta_et -0.2050976E+00 Pxc 0.6905641E+01 Qxc -0.4117257E+01 3,-1 117 3 +1 0.106450 -2.916280 0.113829 Rho 0.4965990E-02 |GRAD(Rho)| 0.1770029E-15 GRAD(Rho)x 0.1299140E-15 GRAD(Rho)y -0.4555723E-17 GRAD(Rho)z 0.1201316E-15 Laplacian 0.2044554E-01 (-1/4)Del**2(Rho)) -0.5111384E-02 Diamond 0.4900961E-03 Metallicity 0.4871817E+00 Ellipticity -0.3714972E+01 Gb(Abramov) 0.3822618E-02 Vb(Abramov) -0.2533852E-02 Hb(Abramov) 0.1288766E-02 Ex_ueg -0.6257384E-03 Ec_ueg -0.1454495E-03 Delta_ex -0.1031742E-02 Delta_ec 0.6733586E-03 Delta_et -0.3637460E-02 Pxc 0.4302101E+01 Qxc -0.1532233E+01 3,+1 118 3 -1 -0.844151 -2.966602 -1.985499 Rho 0.1432840E+00 |GRAD(Rho)| 0.1146122E-11 GRAD(Rho)x -0.8253229E-12 GRAD(Rho)y -0.4836961E-12 GRAD(Rho)z 0.6312499E-12 Laplacian 0.5713158E+00 (-1/4)Del**2(Rho)) -0.1428290E+00 Diamond 0.1101442E+01 Metallicity 0.4732238E+01 Ellipticity 0.3015183E-01 Gb(Abramov) 0.2078694E+00 Vb(Abramov) -0.2729099E+00 Hb(Abramov) -0.6504046E-01 Ex_ueg -0.5537522E-01 Ec_ueg -0.8014992E-02 Delta_ex -0.6072888E-01 Delta_ec 0.1476720E-01 Delta_et -0.1955275E+00 Pxc 0.6908956E+01 Qxc -0.4112416E+01 3,-1 119 3 -1 -0.485488 1.690469 1.697119 Rho 0.3459348E-01 |GRAD(Rho)| 0.1283486E-15 GRAD(Rho)x 0.2744419E-16 GRAD(Rho)y 0.1164796E-15 GRAD(Rho)z 0.4639697E-16 Laplacian 0.1425815E+00 (-1/4)Del**2(Rho)) -0.3564537E-01 Diamond 0.4473749E-01 Metallicity 0.1775035E+01 Ellipticity 0.7423321E-02 Gb(Abramov) 0.3430888E-01 Vb(Abramov) -0.3297239E-01 Hb(Abramov) 0.1336491E-02 Ex_ueg -0.8324868E-02 Ec_ueg -0.1582888E-02 Delta_ex -0.1077591E-01 Delta_ec 0.4376310E-02 Delta_et -0.4181151E-01 Pxc 0.5259290E+01 Qxc -0.2462328E+01 3,-1 120 3 +1 1.028321 2.104515 -1.341321 Rho 0.2419048E-01 |GRAD(Rho)| 0.2713581E-16 GRAD(Rho)x -0.6225538E-17 GRAD(Rho)y 0.2176232E-16 GRAD(Rho)z 0.1496651E-16 Laplacian 0.9574157E-01 (-1/4)Del**2(Rho)) -0.2393539E-01 Diamond 0.1202065E-01 Metallicity 0.1456309E+01 Ellipticity -0.3389886E+01 Gb(Abramov) 0.2176648E-01 Vb(Abramov) -0.1959757E-01 Hb(Abramov) 0.2168910E-02 Ex_ueg -0.5167071E-02 Ec_ueg -0.1048043E-02 Delta_ex -0.5908600E-02 Delta_ec 0.1635480E-02 Delta_et -0.1431787E-01 Pxc 0.4930208E+01 Qxc -0.3612761E+01 3,+1 121 3 +1 1.051755 -2.109535 1.326586 Rho 0.2429975E-01 |GRAD(Rho)| 0.1524554E-16 GRAD(Rho)x 0.1361886E-16 GRAD(Rho)y -0.2020194E-17 GRAD(Rho)z 0.6547668E-17 Laplacian 0.9639456E-01 (-1/4)Del**2(Rho)) -0.2409864E-01 Diamond 0.1244217E-01 Metallicity 0.1457349E+01 Ellipticity -0.3790953E+01 Gb(Abramov) 0.2191912E-01 Vb(Abramov) -0.1973959E-01 Hb(Abramov) 0.2179525E-02 Ex_ueg -0.5198213E-02 Ec_ueg -0.1053523E-02 Delta_ex -0.5985848E-02 Delta_ec 0.1699850E-02 Delta_et -0.1488462E-01 Pxc 0.4934126E+01 Qxc -0.3521397E+01 3,+1 122 3 +3 1.829278 -1.850206 1.850537 Rho 0.1219576E-01 |GRAD(Rho)| 0.1695553E-16 GRAD(Rho)x -0.1510097E-16 GRAD(Rho)y 0.7462506E-17 GRAD(Rho)z -0.1939555E-17 Laplacian 0.5596126E-01 (-1/4)Del**2(Rho)) -0.1399031E-01 Diamond 0.1243768E-02 Metallicity 0.7956833E+00 Ellipticity -0.6944397E+00 Gb(Abramov) 0.1118219E-01 Vb(Abramov) -0.8374058E-02 Hb(Abramov) 0.2808128E-02 Ex_ueg -0.2073306E-02 Ec_ueg -0.4686133E-03 Delta_ex -0.2465869E-02 Delta_ec 0.1967389E-03 Delta_et -0.1884530E-02 Pxc 0.4424342E+01 Qxc -0.1253371E+02 3,+3 123 3 +1 1.988841 -2.005085 2.005440 Rho 0.1245498E-01 |GRAD(Rho)| 0.9880738E-17 GRAD(Rho)x -0.4946186E-17 GRAD(Rho)y -0.7845810E-17 GRAD(Rho)z -0.3406979E-17 Laplacian 0.5898006E-01 (-1/4)Del**2(Rho)) -0.1474502E-01 Diamond 0.2062673E-02 Metallicity 0.7818908E+00 Ellipticity -0.1156690E+01 Gb(Abramov) 0.1175151E-01 Vb(Abramov) -0.8758003E-02 Hb(Abramov) 0.2993506E-02 Ex_ueg -0.2132270E-02 Ec_ueg -0.4806128E-03 Delta_ex -0.2811052E-02 Delta_ec 0.5571708E-03 Delta_et -0.4372882E-02 Pxc 0.4436566E+01 Qxc -0.5045225E+01 3,+1 124 3 -1 0.839153 -1.983450 2.984003 Rho 0.1356289E+00 |GRAD(Rho)| 0.1345996E-11 GRAD(Rho)x 0.9771323E-12 GRAD(Rho)y 0.7523420E-12 GRAD(Rho)z 0.5393497E-12 Laplacian 0.5371536E+00 (-1/4)Del**2(Rho)) -0.1342884E+00 Diamond 0.9569297E+00 Metallicity 0.4593055E+01 Ellipticity 0.4521004E-01 Gb(Abramov) 0.1923246E+00 Vb(Abramov) -0.2503608E+00 Hb(Abramov) -0.5803619E-01 Ex_ueg -0.5146610E-01 Ec_ueg -0.7530002E-02 Delta_ex -0.5619773E-01 Delta_ec 0.1381506E-01 Delta_et -0.1808870E+00 Pxc 0.6834805E+01 Qxc -0.4067859E+01 3,-1 125 3 -1 1.687786 -1.688596 0.493309 Rho 0.4067167E-01 |GRAD(Rho)| 0.3330689E-16 GRAD(Rho)x -0.2343910E-16 GRAD(Rho)y -0.2253531E-16 GRAD(Rho)z 0.7219262E-17 Laplacian 0.1608166E+00 (-1/4)Del**2(Rho)) -0.4020414E-01 Diamond 0.6066290E-01 Metallicity 0.2061115E+01 Ellipticity 0.1112655E-01 Gb(Abramov) 0.4061366E-01 Vb(Abramov) -0.4102317E-01 Hb(Abramov) -0.4095157E-03 Ex_ueg -0.1033017E-01 Ec_ueg -0.1906129E-02 Delta_ex -0.1252010E-01 Delta_ec 0.4706979E-02 Delta_et -0.4697793E-01 Pxc 0.5419452E+01 Qxc -0.2659902E+01 3,-1 126 3 -1 1.693694 0.484750 -1.681076 Rho 0.4086658E-01 |GRAD(Rho)| 0.5347295E-15 GRAD(Rho)x 0.3968803E-15 GRAD(Rho)y -0.1435500E-15 GRAD(Rho)z -0.3283521E-15 Laplacian 0.1618358E+00 (-1/4)Del**2(Rho)) -0.4045895E-01 Diamond 0.6154453E-01 Metallicity 0.2064520E+01 Ellipticity 0.1057330E-01 Gb(Abramov) 0.4089401E-01 Vb(Abramov) -0.4132908E-01 Hb(Abramov) -0.4350658E-03 Ex_ueg -0.1039623E-01 Ec_ueg -0.1916609E-02 Delta_ex -0.1262004E-01 Delta_ec 0.4746620E-02 Delta_et -0.4743554E-01 Pxc 0.5424285E+01 Qxc -0.2658743E+01 3,-1 127 3 +1 1.054146 1.312851 -2.111769 Rho 0.2440844E-01 |GRAD(Rho)| 0.1013927E-15 GRAD(Rho)x -0.9052931E-16 GRAD(Rho)y -0.6168008E-17 GRAD(Rho)z -0.4524238E-16 Laplacian 0.9716617E-01 (-1/4)Del**2(Rho)) -0.2429154E-01 Diamond 0.1271750E-01 Metallicity 0.1456570E+01 Ellipticity -0.3943198E+01 Gb(Abramov) 0.2209142E-01 Vb(Abramov) -0.1989129E-01 Hb(Abramov) 0.2200124E-02 Ex_ueg -0.5229238E-02 Ec_ueg -0.1058976E-02 Delta_ex -0.6051951E-02 Delta_ec 0.1733181E-02 Delta_et -0.1518862E-01 Pxc 0.4938012E+01 Qxc -0.3491818E+01 3,+1 128 3 -1 1.811496 0.573655 2.785047 Rho 0.1420473E+00 |GRAD(Rho)| 0.1785712E-15 GRAD(Rho)x 0.1701384E-15 GRAD(Rho)y -0.2012550E-16 GRAD(Rho)z 0.5035441E-16 Laplacian 0.5964213E+00 (-1/4)Del**2(Rho)) -0.1491053E+00 Diamond 0.1136079E+01 Metallicity 0.4468019E+01 Ellipticity 0.1067761E-01 Gb(Abramov) 0.2104378E+00 Vb(Abramov) -0.2717702E+00 Hb(Abramov) -0.6133246E-01 Ex_ueg -0.5473886E-01 Ec_ueg -0.7936387E-02 Delta_ex -0.6324381E-01 Delta_ec 0.1541334E-01 Delta_et -0.2037440E+00 Pxc 0.6897201E+01 Qxc -0.4103187E+01 3,-1 129 3 -1 1.988960 0.841890 -2.968143 Rho 0.1428003E+00 |GRAD(Rho)| 0.4473802E-15 GRAD(Rho)x -0.3023975E-15 GRAD(Rho)y 0.3280796E-15 GRAD(Rho)z -0.3268870E-16 Laplacian 0.5674086E+00 (-1/4)Del**2(Rho)) -0.1418522E+00 Diamond 0.1090282E+01 Metallicity 0.4738045E+01 Ellipticity 0.3012611E-01 Gb(Abramov) 0.2065851E+00 Vb(Abramov) -0.2713180E+00 Hb(Abramov) -0.6473292E-01 Ex_ueg -0.5512610E-01 Ec_ueg -0.7984235E-02 Delta_ex -0.6027242E-01 Delta_ec 0.1469366E-01 Delta_et -0.1944886E+00 Pxc 0.6904368E+01 Qxc -0.4101933E+01 3,-1 130 3 -1 1.980928 -0.840772 2.971785 Rho 0.1407304E+00 |GRAD(Rho)| 0.1375427E-15 GRAD(Rho)x -0.6750514E-16 GRAD(Rho)y 0.3999351E-16 GRAD(Rho)z 0.1129671E-15 Laplacian 0.5589312E+00 (-1/4)Del**2(Rho)) -0.1397328E+00 Diamond 0.1055468E+01 Metallicity 0.4694269E+01 Ellipticity 0.2905229E-01 Gb(Abramov) 0.2024791E+00 Vb(Abramov) -0.2652253E+00 Hb(Abramov) -0.6274628E-01 Ex_ueg -0.5406326E-01 Ec_ueg -0.7852791E-02 Delta_ex -0.5916277E-01 Delta_ec 0.1452856E-01 Delta_et -0.1918870E+00 Pxc 0.6884591E+01 Qxc -0.4072170E+01 3,-1 131 3 -1 0.485545 1.683198 -1.708167 Rho 0.3561139E-01 |GRAD(Rho)| 0.1293439E-14 GRAD(Rho)x -0.3432295E-15 GRAD(Rho)y 0.8905332E-15 GRAD(Rho)z -0.8729997E-15 Laplacian 0.1473198E+00 (-1/4)Del**2(Rho)) -0.3682994E-01 Diamond 0.4819751E-01 Metallicity 0.1803019E+01 Ellipticity 0.8716940E-02 Gb(Abramov) 0.3562081E-01 Vb(Abramov) -0.3441168E-01 Hb(Abramov) 0.1209132E-02 Ex_ueg -0.8653072E-02 Ec_ueg -0.1636519E-02 Delta_ex -0.1122077E-01 Delta_ec 0.4534916E-02 Delta_et -0.4367488E-01 Pxc 0.5287488E+01 Qxc -0.2474307E+01 3,-1 132 3 -1 2.777111 -1.813503 -0.570200 Rho 0.1412373E+00 |GRAD(Rho)| 0.3510384E-14 GRAD(Rho)x -0.5884778E-15 GRAD(Rho)y -0.2699623E-14 GRAD(Rho)z 0.2165301E-14 Laplacian 0.5957067E+00 (-1/4)Del**2(Rho)) -0.1489267E+00 Diamond 0.1126712E+01 Metallicity 0.4430943E+01 Ellipticity 0.8912328E-02 Gb(Abramov) 0.2092654E+00 Vb(Abramov) -0.2696041E+00 Hb(Abramov) -0.6033872E-01 Ex_ueg -0.5432305E-01 Ec_ueg -0.7884955E-02 Delta_ex -0.6307751E-01 Delta_ec 0.1541178E-01 Delta_et -0.2035392E+00 Pxc 0.6889456E+01 Qxc -0.4092811E+01 3,-1 133 3 -1 2.967710 -1.985148 0.843807 Rho 0.1417649E+00 |GRAD(Rho)| 0.1399682E-15 GRAD(Rho)x 0.7832005E-16 GRAD(Rho)y -0.1077290E-15 GRAD(Rho)z 0.4302927E-16 Laplacian 0.5647814E+00 (-1/4)Del**2(Rho)) -0.1411953E+00 Diamond 0.1074967E+01 Metallicity 0.4702701E+01 Ellipticity 0.2814544E-01 Gb(Abramov) 0.2047968E+00 Vb(Abramov) -0.2683983E+00 Hb(Abramov) -0.6360146E-01 Ex_ueg -0.5459380E-01 Ec_ueg -0.7918451E-02 Delta_ex -0.5987824E-01 Delta_ec 0.1463585E-01 Delta_et -0.1934789E+00 Pxc 0.6894505E+01 Qxc -0.4091204E+01 3,-1 134 3 +1 2.120329 -1.207329 1.162173 Rho 0.2596492E-01 |GRAD(Rho)| 0.1229071E-15 GRAD(Rho)x 0.1170363E-15 GRAD(Rho)y -0.3549434E-16 GRAD(Rho)z 0.1219863E-16 Laplacian 0.1049356E+00 (-1/4)Del**2(Rho)) -0.2623391E-01 Diamond 0.1570292E-01 Metallicity 0.1495094E+01 Ellipticity -0.6373080E+01 Gb(Abramov) 0.2402630E-01 Vb(Abramov) -0.2181869E-01 Hb(Abramov) 0.2207608E-02 Ex_ueg -0.5678510E-02 Ec_ueg -0.1137418E-02 Delta_ex -0.6721301E-02 Delta_ec 0.2009999E-02 Delta_et -0.1786032E-01 Pxc 0.4992456E+01 Qxc -0.3343932E+01 3,+1 135 3 -1 -3.182779 -3.206418 0.064625 Rho 0.2532371E+00 |GRAD(Rho)| 0.1185406E-13 GRAD(Rho)x -0.2783472E-14 GRAD(Rho)y -0.1078207E-13 GRAD(Rho)z -0.4064240E-14 Laplacian 0.9128770E+00 (-1/4)Del**2(Rho)) -0.2282193E+00 Diamond 0.3438903E+01 Metallicity 0.7651500E+01 Ellipticity 0.1154197E-02 Gb(Abramov) 0.4431828E+00 Vb(Abramov) -0.6581463E+00 Hb(Abramov) -0.2149635E+00 Ex_ueg -0.1183282E+00 Ec_ueg -0.1535895E-01 Delta_ex -0.1118303E+00 Delta_ec 0.1979706E-01 Delta_et -0.2743967E+00 Pxc 0.7704183E+01 Qxc -0.5648833E+01 3,-1 136 3 -1 -1.968269 2.980559 0.848047 Rho 0.1474524E+00 |GRAD(Rho)| 0.1332833E-15 GRAD(Rho)x 0.7898413E-16 GRAD(Rho)y -0.1942077E-16 GRAD(Rho)z -0.1055877E-15 Laplacian 0.5869693E+00 (-1/4)Del**2(Rho)) -0.1467423E+00 Diamond 0.1170912E+01 Metallicity 0.4831523E+01 Ellipticity 0.3491896E-01 Gb(Abramov) 0.2159930E+00 Vb(Abramov) -0.2852437E+00 Hb(Abramov) -0.6925072E-01 Ex_ueg -0.5753349E-01 Ec_ueg -0.8280629E-02 Delta_ex -0.6282789E-01 Delta_ec 0.1505877E-01 Delta_et -0.2002108E+00 Pxc 0.6947962E+01 Qxc -0.4172179E+01 3,-1 137 3 -1 -1.979490 0.842523 2.970851 Rho 0.1470548E+00 |GRAD(Rho)| 0.3013808E-15 GRAD(Rho)x -0.7685638E-16 GRAD(Rho)y 0.1634706E-15 GRAD(Rho)z 0.2412485E-15 Laplacian 0.5852383E+00 (-1/4)Del**2(Rho)) -0.1463096E+00 Diamond 0.1163879E+01 Metallicity 0.4824058E+01 Ellipticity 0.3467618E-01 Gb(Abramov) 0.2151740E+00 Vb(Abramov) -0.2840385E+00 Hb(Abramov) -0.6886447E-01 Ex_ueg -0.5732677E-01 Ec_ueg -0.8255248E-02 Delta_ex -0.6260327E-01 Delta_ec 0.1502801E-01 Delta_et -0.1997324E+00 Pxc 0.6944282E+01 Qxc -0.4165772E+01 3,-1 138 3 +3 -1.817771 1.837013 1.836078 Rho 0.1214289E-01 |GRAD(Rho)| 0.3553222E-11 GRAD(Rho)x -0.3038895E-11 GRAD(Rho)y -0.1289629E-11 GRAD(Rho)z -0.1314290E-11 Laplacian 0.5548405E-01 (-1/4)Del**2(Rho)) -0.1387101E-01 Diamond 0.1205324E-02 Metallicity 0.7967376E+00 Ellipticity -0.6561180E+00 Gb(Abramov) 0.1108927E-01 Vb(Abramov) -0.8307523E-02 Hb(Abramov) 0.2781745E-02 Ex_ueg -0.2061332E-02 Ec_ueg -0.4661695E-03 Delta_ex -0.2435915E-02 Delta_ec 0.1847311E-03 Delta_et -0.1798057E-02 Pxc 0.4421851E+01 Qxc -0.1318628E+02 3,+3 139 3 -1 -0.362563 0.355349 0.359388 Rho 0.2030062E+00 |GRAD(Rho)| 0.1084512E-12 GRAD(Rho)x 0.6230923E-13 GRAD(Rho)y -0.6303409E-13 GRAD(Rho)z -0.6249734E-13 Laplacian 0.7291776E+00 (-1/4)Del**2(Rho)) -0.1822944E+00 Diamond 0.2362972E+01 Metallicity 0.6626668E+01 Ellipticity 0.3770281E-02 Gb(Abramov) 0.3228637E+00 Vb(Abramov) -0.4634329E+00 Hb(Abramov) -0.1405693E+00 Ex_ueg -0.8811787E-01 Ec_ueg -0.1191944E-01 Delta_ex -0.8605923E-01 Delta_ec 0.1991984E-01 Delta_et -0.2841149E+00 Pxc 0.7392786E+01 Qxc -0.4320276E+01 3,-1 140 3 -1 0.497474 -1.692505 1.707347 Rho 0.3571020E-01 |GRAD(Rho)| 0.1077252E-14 GRAD(Rho)x -0.3916070E-15 GRAD(Rho)y -0.6572755E-15 GRAD(Rho)z 0.7583569E-15 Laplacian 0.1479374E+00 (-1/4)Del**2(Rho)) -0.3698435E-01 Diamond 0.4850291E-01 Metallicity 0.1803802E+01 Ellipticity 0.8621504E-02 Gb(Abramov) 0.3577498E-01 Vb(Abramov) -0.3456560E-01 Hb(Abramov) 0.1209374E-02 Ex_ueg -0.8685098E-02 Ec_ueg -0.1641736E-02 Delta_ex -0.1127008E-01 Delta_ec 0.4544302E-02 Delta_et -0.4379825E-01 Pxc 0.5290193E+01 Qxc -0.2480046E+01 3,-1 141 3 +3 0.025135 -2.365914 0.037574 Rho 0.4403997E-02 |GRAD(Rho)| 0.4416383E-12 GRAD(Rho)x -0.2174430E-12 GRAD(Rho)y 0.3132789E-12 GRAD(Rho)z -0.2227540E-12 Laplacian 0.1823829E-01 (-1/4)Del**2(Rho)) -0.4559573E-02 Diamond 0.1619855E-03 Metallicity 0.4470685E+00 Ellipticity -0.3016222E+00 Gb(Abramov) 0.3379456E-02 Vb(Abramov) -0.2199338E-02 Hb(Abramov) 0.1180117E-02 Ex_ueg -0.5331480E-03 Ec_ueg -0.1213552E-03 Delta_ex -0.6688003E-03 Delta_ec 0.1881894E-03 Delta_et -0.1141737E-02 Pxc 0.4393284E+01 Qxc -0.3553868E+01 3,+3 142 3 -1 1.800502 -2.784362 -0.576073 Rho 0.1452729E+00 |GRAD(Rho)| 0.1136463E-15 GRAD(Rho)x -0.5502326E-16 GRAD(Rho)y -0.8032583E-16 GRAD(Rho)z 0.5861468E-16 Laplacian 0.6135958E+00 (-1/4)Del**2(Rho)) -0.1533989E+00 Diamond 0.1198764E+01 Metallicity 0.4508568E+01 Ellipticity 0.9786873E-02 Gb(Abramov) 0.2175342E+00 Vb(Abramov) -0.2816695E+00 Hb(Abramov) -0.6413528E-01 Ex_ueg -0.5640245E-01 Ec_ueg -0.8141603E-02 Delta_ex -0.6540203E-01 Delta_ec 0.1573345E-01 Delta_et -0.2085853E+00 Pxc 0.6927684E+01 Qxc -0.4156877E+01 3,-1 143 3 -1 1.970444 -2.981810 0.846071 Rho 0.1457725E+00 |GRAD(Rho)| 0.1998988E-15 GRAD(Rho)x -0.1072005E-16 GRAD(Rho)y 0.2283601E-16 GRAD(Rho)z -0.1983006E-15 Laplacian 0.5795697E+00 (-1/4)Del**2(Rho)) -0.1448924E+00 Diamond 0.1140652E+01 Metallicity 0.4800651E+01 Ellipticity 0.3397350E-01 Gb(Abramov) 0.2125246E+00 Vb(Abramov) -0.2801568E+00 Hb(Abramov) -0.6763219E-01 Ex_ueg -0.5666121E-01 Ec_ueg -0.8173445E-02 Delta_ex -0.6186530E-01 Delta_ec 0.1491652E-01 Delta_et -0.1980034E+00 Pxc 0.6932354E+01 Qxc -0.4147436E+01 3,-1 144 3 -1 2.975285 -0.846493 1.972537 Rho 0.1442595E+00 |GRAD(Rho)| 0.2017980E-14 GRAD(Rho)x -0.7958451E-15 GRAD(Rho)y 0.1644897E-14 GRAD(Rho)z 0.8562622E-15 Laplacian 0.5754988E+00 (-1/4)Del**2(Rho)) -0.1438747E+00 Diamond 0.1117544E+01 Metallicity 0.4751267E+01 Ellipticity 0.3251842E-01 Gb(Abramov) 0.2098476E+00 Vb(Abramov) -0.2758206E+00 Hb(Abramov) -0.6597294E-01 Ex_ueg -0.5587844E-01 Ec_ueg -0.8077057E-02 Delta_ex -0.6126396E-01 Delta_ec 0.1483114E-01 Delta_et -0.1965292E+00 Pxc 0.6918168E+01 Qxc -0.4130765E+01 3,-1 145 3 -1 2.786388 -0.577808 -1.798294 Rho 0.1446245E+00 |GRAD(Rho)| 0.1283807E-15 GRAD(Rho)x 0.8649900E-16 GRAD(Rho)y 0.1776736E-16 GRAD(Rho)z 0.9318718E-16 Laplacian 0.6109576E+00 (-1/4)Del**2(Rho)) -0.1527394E+00 Diamond 0.1187283E+01 Metallicity 0.4494401E+01 Ellipticity 0.9039371E-02 Gb(Abramov) 0.2162383E+00 Vb(Abramov) -0.2797372E+00 Hb(Abramov) -0.6349887E-01 Ex_ueg -0.5606702E-01 Ec_ueg -0.8100296E-02 Delta_ex -0.6505035E-01 Delta_ec 0.1568434E-01 Delta_et -0.2078016E+00 Pxc 0.6921601E+01 Qxc -0.4147472E+01 3,-1 146 3 -1 3.206311 -0.060751 -3.183198 Rho 0.2533923E+00 |GRAD(Rho)| 0.3824522E-15 GRAD(Rho)x -0.9898766E-16 GRAD(Rho)y 0.1195333E-15 GRAD(Rho)z 0.3495468E-15 Laplacian 0.9138912E+00 (-1/4)Del**2(Rho)) -0.2284728E+00 Diamond 0.3444111E+01 Metallicity 0.7650817E+01 Ellipticity 0.9167111E-03 Gb(Abramov) 0.4436491E+00 Vb(Abramov) -0.6588254E+00 Hb(Abramov) -0.2151763E+00 Ex_ueg -0.1184249E+00 Ec_ueg -0.1536980E-01 Delta_ex -0.1119669E+00 Delta_ec 0.1980516E-01 Delta_et -0.2744637E+00 Pxc 0.7705041E+01 Qxc -0.5653418E+01 3,-1 147 3 -1 3.202087 0.059390 3.184566 Rho 0.2530661E+00 |GRAD(Rho)| 0.4357138E-15 GRAD(Rho)x -0.3329585E-15 GRAD(Rho)y -0.1253609E-15 GRAD(Rho)z -0.2515349E-15 Laplacian 0.9143613E+00 (-1/4)Del**2(Rho)) -0.2285903E+00 Diamond 0.3439728E+01 Metallicity 0.7630481E+01 Ellipticity 0.1173184E-02 Gb(Abramov) 0.4431025E+00 Vb(Abramov) -0.6576148E+00 Hb(Abramov) -0.2145122E+00 Ex_ueg -0.1182216E+00 Ec_ueg -0.1534701E-01 Delta_ex -0.1119825E+00 Delta_ec 0.1981595E-01 Delta_et -0.2745728E+00 Pxc 0.7703238E+01 Qxc -0.5651130E+01 3,-1 148 3 -1 -1.669916 -1.703203 -0.482496 Rho 0.4050063E-01 |GRAD(Rho)| 0.1125825E-12 GRAD(Rho)x -0.7510840E-13 GRAD(Rho)y -0.7362609E-13 GRAD(Rho)z 0.4015909E-13 Laplacian 0.1600990E+00 (-1/4)Del**2(Rho)) -0.4002475E-01 Diamond 0.6011757E-01 Metallicity 0.2055863E+01 Ellipticity 0.1317485E-01 Gb(Abramov) 0.4039740E-01 Vb(Abramov) -0.4077005E-01 Hb(Abramov) -0.3726479E-03 Ex_ueg -0.1027229E-01 Ec_ueg -0.1896938E-02 Delta_ex -0.1245519E-01 Delta_ec 0.4693293E-02 Delta_et -0.4678940E-01 Pxc 0.5415197E+01 Qxc -0.2653828E+01 3,-1 149 3 -1 -2.965703 1.981182 0.835884 Rho 0.1418341E+00 |GRAD(Rho)| 0.3960942E-12 GRAD(Rho)x 0.1333851E-12 GRAD(Rho)y 0.2453370E-12 GRAD(Rho)z -0.2809071E-12 Laplacian 0.5664161E+00 (-1/4)Del**2(Rho)) -0.1416040E+00 Diamond 0.1078057E+01 Metallicity 0.4692942E+01 Ellipticity 0.2841685E-01 Gb(Abramov) 0.2051592E+00 Vb(Abramov) -0.2687145E+00 Hb(Abramov) -0.6355523E-01 Ex_ueg -0.5462932E-01 Ec_ueg -0.7922843E-02 Delta_ex -0.6005168E-01 Delta_ec 0.1466394E-01 Delta_et -0.1938380E+00 Pxc 0.6895166E+01 Qxc -0.4095194E+01 3,-1 150 3 -1 -3.180696 3.210021 -0.055043 Rho 0.2531064E+00 |GRAD(Rho)| 0.3200999E-10 GRAD(Rho)x -0.2232913E-10 GRAD(Rho)y 0.2230329E-10 GRAD(Rho)z -0.5349063E-11 Laplacian 0.9122235E+00 (-1/4)Del**2(Rho)) -0.2280559E+00 Diamond 0.3435346E+01 Metallicity 0.7650396E+01 Ellipticity 0.1188959E-02 Gb(Abramov) 0.4428235E+00 Vb(Abramov) -0.6575912E+00 Hb(Abramov) -0.2147677E+00 Ex_ueg -0.1182468E+00 Ec_ueg -0.1534982E-01 Delta_ex -0.1117403E+00 Delta_ec 0.1979522E-01 Delta_et -0.2744123E+00 Pxc 0.7703461E+01 Qxc -0.5644809E+01 3,-1 151 3 -1 -1.969338 -2.978428 -0.844290 Rho 0.1429376E+00 |GRAD(Rho)| 0.2275699E-13 GRAD(Rho)x -0.1367931E-13 GRAD(Rho)y 0.7447683E-14 GRAD(Rho)z 0.1659184E-13 Laplacian 0.5698514E+00 (-1/4)Del**2(Rho)) -0.1424629E+00 Diamond 0.1094756E+01 Metallicity 0.4725297E+01 Ellipticity 0.3076187E-01 Gb(Abramov) 0.2071718E+00 Vb(Abramov) -0.2718807E+00 Hb(Abramov) -0.6470892E-01 Ex_ueg -0.5519678E-01 Ec_ueg -0.7992964E-02 Delta_ex -0.6053032E-01 Delta_ec 0.1472530E-01 Delta_et -0.1948753E+00 Pxc 0.6905672E+01 Qxc -0.4110633E+01 3,-1 152 3 +1 -0.516039 -1.701562 0.564992 Rho 0.8465952E-02 |GRAD(Rho)| 0.1441029E-16 GRAD(Rho)x -0.9754431E-17 GRAD(Rho)y -0.8409343E-17 GRAD(Rho)z 0.6464555E-17 Laplacian 0.3508167E-01 (-1/4)Del**2(Rho)) -0.8770417E-02 Diamond 0.9821643E-03 Metallicity 0.6907581E+00 Ellipticity -0.1445406E+01 Gb(Abramov) 0.6856651E-02 Vb(Abramov) -0.4942884E-02 Hb(Abramov) 0.1913766E-02 Ex_ueg -0.1274342E-02 Ec_ueg -0.2989865E-03 Delta_ex -0.1625399E-02 Delta_ec 0.5455903E-03 Delta_et -0.3671651E-02 Pxc 0.4262208E+01 Qxc -0.2979157E+01 3,+1 153 3 -1 -0.351904 -0.377552 -0.362155 Rho 0.2025321E+00 |GRAD(Rho)| 0.2587305E-15 GRAD(Rho)x -0.1385461E-15 GRAD(Rho)y 0.5345242E-16 GRAD(Rho)z -0.2118709E-15 Laplacian 0.7255805E+00 (-1/4)Del**2(Rho)) -0.1813951E+00 Diamond 0.2345022E+01 Metallicity 0.6633622E+01 Ellipticity 0.4281015E-02 Gb(Abramov) 0.3214812E+00 Vb(Abramov) -0.4615673E+00 Hb(Abramov) -0.1400861E+00 Ex_ueg -0.8784363E-01 Ec_ueg -0.1188764E-01 Delta_ex -0.8558702E-01 Delta_ec 0.1983699E-01 Delta_et -0.2828596E+00 Pxc 0.7389490E+01 Qxc -0.4314516E+01 3,-1 154 3 -1 -0.570246 -2.790027 1.828947 Rho 0.1280728E+00 |GRAD(Rho)| 0.6011428E-13 GRAD(Rho)x 0.1740290E-13 GRAD(Rho)y 0.2402439E-13 GRAD(Rho)z -0.5228474E-13 Laplacian 0.5383513E+00 (-1/4)Del**2(Rho)) -0.1345878E+00 Diamond 0.8936370E+00 Metallicity 0.4165262E+01 Ellipticity 0.7714813E-02 Gb(Abramov) 0.1831575E+00 Vb(Abramov) -0.2317271E+00 Hb(Abramov) -0.4856965E-01 Ex_ueg -0.4767906E-01 Ec_ueg -0.7055011E-02 Delta_ex -0.5552711E-01 Delta_ec 0.1400341E-01 Delta_et -0.1816375E+00 Pxc 0.6758183E+01 Qxc -0.3965258E+01 3,-1 155 3 +1 -1.201457 -2.124814 -1.156853 Rho 0.2602360E-01 |GRAD(Rho)| 0.9972243E-16 GRAD(Rho)x 0.1615309E-16 GRAD(Rho)y 0.9822457E-16 GRAD(Rho)z 0.5964491E-17 Laplacian 0.1052907E+00 (-1/4)Del**2(Rho)) -0.2632267E-01 Diamond 0.1578979E-01 Metallicity 0.1495669E+01 Ellipticity -0.6297141E+01 Gb(Abramov) 0.2411011E-01 Vb(Abramov) -0.2189756E-01 Hb(Abramov) 0.2212557E-02 Ex_ueg -0.5695627E-02 Ec_ueg -0.1140388E-02 Delta_ex -0.6746479E-02 Delta_ec 0.2014009E-02 Delta_et -0.1790668E-01 Pxc 0.4994465E+01 Qxc -0.3349776E+01 3,+1 156 3 -1 -0.481484 -1.689440 -1.687197 Rho 0.4234537E-01 |GRAD(Rho)| 0.1253855E-12 GRAD(Rho)x -0.1685310E-13 GRAD(Rho)y -0.1155194E-12 GRAD(Rho)z -0.4574659E-13 Laplacian 0.1690539E+00 (-1/4)Del**2(Rho)) -0.4226348E-01 Diamond 0.6773759E-01 Metallicity 0.2096997E+01 Ellipticity 0.1059383E-01 Gb(Abramov) 0.4294672E-01 Vb(Abramov) -0.4362996E-01 Hb(Abramov) -0.6832368E-03 Ex_ueg -0.1090083E-01 Ec_ueg -0.1996342E-02 Delta_ex -0.1331446E-01 Delta_ec 0.4982461E-02 Delta_et -0.5027135E-01 Pxc 0.5460404E+01 Qxc -0.2672265E+01 3,-1 157 3 -1 -2.792729 0.577769 -1.819756 Rho 0.1359281E+00 |GRAD(Rho)| 0.5394746E-14 GRAD(Rho)x 0.5448082E-15 GRAD(Rho)y -0.3544094E-14 GRAD(Rho)z -0.4030616E-14 Laplacian 0.5741794E+00 (-1/4)Del**2(Rho)) -0.1435448E+00 Diamond 0.1021333E+01 Metallicity 0.4312685E+01 Ellipticity 0.1534297E-01 Gb(Abramov) 0.1988738E+00 Vb(Abramov) -0.2542028E+00 Hb(Abramov) -0.5532900E-01 Ex_ueg -0.5161756E-01 Ec_ueg -0.7548890E-02 Delta_ex -0.6005511E-01 Delta_ec 0.1467283E-01 Delta_et -0.1920084E+00 Pxc 0.6837768E+01 Qxc -0.4092946E+01 3,-1 158 3 -1 0.837681 1.976729 -2.983270 Rho 0.1338841E+00 |GRAD(Rho)| 0.3711620E-15 GRAD(Rho)x -0.1647987E-16 GRAD(Rho)y 0.3602939E-15 GRAD(Rho)z 0.8762386E-16 Laplacian 0.5303865E+00 (-1/4)Del**2(Rho)) -0.1325966E+00 Diamond 0.9306273E+00 Metallicity 0.4552353E+01 Ellipticity 0.4348606E-01 Gb(Abramov) 0.1890022E+00 Vb(Abramov) -0.2454078E+00 Hb(Abramov) -0.5640557E-01 Ex_ueg -0.5058525E-01 Ec_ueg -0.7419992E-02 Delta_ex -0.5531945E-01 Delta_ec 0.1369086E-01 Delta_et -0.1789168E+00 Pxc 0.6817426E+01 Qxc -0.4040610E+01 3,-1 159 3 -1 0.580644 1.815305 2.796557 Rho 0.1348567E+00 |GRAD(Rho)| 0.1889382E-15 GRAD(Rho)x -0.1664521E-15 GRAD(Rho)y 0.8844379E-16 GRAD(Rho)z 0.1300026E-16 Laplacian 0.5680269E+00 (-1/4)Del**2(Rho)) -0.1420067E+00 Diamond 0.1001393E+01 Metallicity 0.4302280E+01 Ellipticity 0.1254189E-01 Gb(Abramov) 0.1964966E+00 Vb(Abramov) -0.2509865E+00 Hb(Abramov) -0.5448989E-01 Ex_ueg -0.5107581E-01 Ec_ueg -0.7481293E-02 Delta_ex -0.5930381E-01 Delta_ec 0.1455515E-01 Delta_et -0.1902624E+00 Pxc 0.6827137E+01 Qxc -0.4074420E+01 3,-1 160 3 -1 0.581150 2.786280 1.830265 Rho 0.1348469E+00 |GRAD(Rho)| 0.1577869E-15 GRAD(Rho)x -0.4411348E-16 GRAD(Rho)y -0.1779108E-16 GRAD(Rho)z 0.1504466E-15 Laplacian 0.5691122E+00 (-1/4)Del**2(Rho)) -0.1422781E+00 Diamond 0.1003781E+01 Metallicity 0.4293553E+01 Ellipticity 0.1207109E-01 Gb(Abramov) 0.1966651E+00 Vb(Abramov) -0.2510521E+00 Hb(Abramov) -0.5438703E-01 Ex_ueg -0.5107083E-01 Ec_ueg -0.7480672E-02 Delta_ex -0.5942252E-01 Delta_ec 0.1459476E-01 Delta_et -0.1908010E+00 Pxc 0.6827039E+01 Qxc -0.4071498E+01 3,-1 161 3 -1 0.824331 2.963325 -1.994996 Rho 0.1245426E+00 |GRAD(Rho)| 0.1939934E-15 GRAD(Rho)x 0.1421796E-15 GRAD(Rho)y -0.1124453E-15 GRAD(Rho)z 0.6909756E-16 Laplacian 0.4925897E+00 (-1/4)Del**2(Rho)) -0.1231474E+00 Diamond 0.7930655E+00 Metallicity 0.4345010E+01 Ellipticity 0.3123113E-01 Gb(Abramov) 0.1712778E+00 Vb(Abramov) -0.2194081E+00 Hb(Abramov) -0.4813033E-01 Ex_ueg -0.4593483E-01 Ec_ueg -0.6834392E-02 Delta_ex -0.5049690E-01 Delta_ec 0.1295349E-01 Delta_et -0.1673478E+00 Pxc 0.6721129E+01 Qxc -0.3898325E+01 3,-1 162 3 -1 0.070927 3.191686 3.209621 Rho 0.2429785E+00 |GRAD(Rho)| 0.6469077E-15 GRAD(Rho)x -0.1497283E-15 GRAD(Rho)y -0.3754592E-15 GRAD(Rho)z -0.5050756E-15 Laplacian 0.8546231E+00 (-1/4)Del**2(Rho)) -0.2136558E+00 Diamond 0.3094096E+01 Metallicity 0.7628720E+01 Ellipticity 0.3606760E-03 Gb(Abramov) 0.4140905E+00 Vb(Abramov) -0.6145252E+00 Hb(Abramov) -0.2004347E+00 Ex_ueg -0.1119804E+00 Ec_ueg -0.1464525E-01 Delta_ex -0.1037271E+00 Delta_ec 0.1905637E-01 Delta_et -0.2651734E+00 Pxc 0.7646195E+01 Qxc -0.5443172E+01 3,-1 163 3 -1 -0.843816 -1.963430 -2.980798 Rho 0.1465239E+00 |GRAD(Rho)| 0.2733618E-15 GRAD(Rho)x -0.1180696E-15 GRAD(Rho)y 0.2465340E-15 GRAD(Rho)z 0.2683400E-17 Laplacian 0.5823965E+00 (-1/4)Del**2(Rho)) -0.1455991E+00 Diamond 0.1153162E+01 Metallicity 0.4818464E+01 Ellipticity 0.3498042E-01 Gb(Abramov) 0.2139935E+00 Vb(Abramov) -0.2823878E+00 Hb(Abramov) -0.6839432E-01 Ex_ueg -0.5705098E-01 Ec_ueg -0.8221368E-02 Delta_ex -0.6224369E-01 Delta_ec 0.1496752E-01 Delta_et -0.1988226E+00 Pxc 0.6939354E+01 Qxc -0.4158584E+01 3,-1 164 3 -1 -0.576508 -1.820676 2.790811 Rho 0.1336804E+00 |GRAD(Rho)| 0.5261215E-14 GRAD(Rho)x 0.3578287E-14 GRAD(Rho)y -0.3824686E-14 GRAD(Rho)z -0.4980215E-15 Laplacian 0.5639877E+00 (-1/4)Del**2(Rho)) -0.1409969E+00 Diamond 0.9843523E+00 Metallicity 0.4270280E+01 Ellipticity 0.1272806E-01 Gb(Abramov) 0.1943473E+00 Vb(Abramov) -0.2476977E+00 Hb(Abramov) -0.5335041E-01 Ex_ueg -0.5048263E-01 Ec_ueg -0.7407157E-02 Delta_ex -0.5876257E-01 Delta_ec 0.1449259E-01 Delta_et -0.1892096E+00 Pxc 0.6815385E+01 Qxc -0.4054664E+01 3,-1 165 3 -1 0.370640 0.356814 -0.364105 Rho 0.2025938E+00 |GRAD(Rho)| 0.4258388E-14 GRAD(Rho)x -0.2897961E-14 GRAD(Rho)y -0.1499692E-14 GRAD(Rho)z 0.2736169E-14 Laplacian 0.7256139E+00 (-1/4)Del**2(Rho)) -0.1814035E+00 Diamond 0.2345539E+01 Metallicity 0.6636685E+01 Ellipticity 0.2672039E-02 Gb(Abramov) 0.3215886E+00 Vb(Abramov) -0.4617738E+00 Hb(Abramov) -0.1401851E+00 Ex_ueg -0.8787931E-01 Ec_ueg -0.1189178E-01 Delta_ex -0.8559443E-01 Delta_ec 0.1983101E-01 Delta_et -0.2827692E+00 Pxc 0.7389919E+01 Qxc -0.4316192E+01 3,-1 166 3 -1 1.814424 -0.572136 -2.775883 Rho 0.1434473E+00 |GRAD(Rho)| 0.1113795E-13 GRAD(Rho)x 0.8290691E-14 GRAD(Rho)y 0.7225747E-14 GRAD(Rho)z 0.1762642E-14 Laplacian 0.6055610E+00 (-1/4)Del**2(Rho)) -0.1513903E+00 Diamond 0.1167159E+01 Metallicity 0.4473107E+01 Ellipticity 0.8618614E-02 Gb(Abramov) 0.2137910E+00 Vb(Abramov) -0.2761917E+00 Hb(Abramov) -0.6240071E-01 Ex_ueg -0.5545937E-01 Ec_ueg -0.8025376E-02 Delta_ex -0.6436679E-01 Delta_ec 0.1561209E-01 Delta_et -0.2066723E+00 Pxc 0.6910501E+01 Qxc -0.4122881E+01 3,-1 167 3 -1 1.695017 -0.485317 1.684114 Rho 0.4182302E-01 |GRAD(Rho)| 0.6202150E-16 GRAD(Rho)x -0.3832676E-16 GRAD(Rho)y -0.3816932E-16 GRAD(Rho)z -0.3034517E-16 Laplacian 0.1664490E+00 (-1/4)Del**2(Rho)) -0.4161226E-01 Diamond 0.6546942E-01 Metallicity 0.2086208E+01 Ellipticity 0.1109428E-01 Gb(Abramov) 0.4221014E-01 Vb(Abramov) -0.4280802E-01 Hb(Abramov) -0.5978824E-03 Ex_ueg -0.1072191E-01 Ec_ueg -0.1968134E-02 Delta_ex -0.1306289E-01 Delta_ec 0.4895545E-02 Delta_et -0.4922942E-01 Pxc 0.5447755E+01 Qxc -0.2668322E+01 3,-1 168 3 -1 3.183864 -3.206585 -0.057065 Rho 0.2534202E+00 |GRAD(Rho)| 0.3899398E-15 GRAD(Rho)x -0.3806634E-15 GRAD(Rho)y 0.1940722E-16 GRAD(Rho)z 0.8229094E-16 Laplacian 0.9136650E+00 (-1/4)Del**2(Rho)) -0.2284162E+00 Diamond 0.3444064E+01 Metallicity 0.7654112E+01 Ellipticity 0.9336109E-03 Gb(Abramov) 0.4436648E+00 Vb(Abramov) -0.6589133E+00 Hb(Abramov) -0.2152485E+00 Ex_ueg -0.1184422E+00 Ec_ueg -0.1537174E-01 Delta_ex -0.1119441E+00 Delta_ec 0.1980269E-01 Delta_et -0.2744445E+00 Pxc 0.7705194E+01 Qxc -0.5652977E+01 3,-1 169 3 -1 -2.772204 1.821418 -0.578115 Rho 0.1395965E+00 |GRAD(Rho)| 0.6529172E-15 GRAD(Rho)x -0.1830608E-15 GRAD(Rho)y -0.4914282E-15 GRAD(Rho)z -0.3889575E-15 Laplacian 0.5873545E+00 (-1/4)Del**2(Rho)) -0.1468386E+00 Diamond 0.1096858E+01 Metallicity 0.4407278E+01 Ellipticity 0.1030863E-01 Gb(Abramov) 0.2057522E+00 Vb(Abramov) -0.2646658E+00 Hb(Abramov) -0.5891356E-01 Ex_ueg -0.5348325E-01 Ec_ueg -0.7780904E-02 Delta_ex -0.6203214E-01 Delta_ec 0.1526692E-01 Delta_et -0.2013279E+00 Pxc 0.6873655E+01 Qxc -0.4063173E+01 3,-1 170 3 -1 0.576263 -1.796577 -2.784193 Rho 0.1432722E+00 |GRAD(Rho)| 0.1038175E-15 GRAD(Rho)x 0.8482527E-16 GRAD(Rho)y 0.4239230E-16 GRAD(Rho)z -0.4225678E-16 Laplacian 0.6055881E+00 (-1/4)Del**2(Rho)) -0.1513970E+00 Diamond 0.1165044E+01 Metallicity 0.4463811E+01 Ellipticity 0.8666978E-02 Gb(Abramov) 0.2135660E+00 Vb(Abramov) -0.2757349E+00 Hb(Abramov) -0.6216894E-01 Ex_ueg -0.5536913E-01 Ec_ueg -0.8014239E-02 Delta_ex -0.6434565E-01 Delta_ec 0.1560883E-01 Delta_et -0.2065733E+00 Pxc 0.6908844E+01 Qxc -0.4122388E+01 3,-1 171 3 -1 2.776042 0.579650 1.802632 Rho 0.1469205E+00 |GRAD(Rho)| 0.1246285E-15 GRAD(Rho)x 0.4385598E-16 GRAD(Rho)y 0.3793352E-16 GRAD(Rho)z 0.1103176E-15 Laplacian 0.6212542E+00 (-1/4)Del**2(Rho)) -0.1553135E+00 Diamond 0.1229498E+01 Metallicity 0.4537480E+01 Ellipticity 0.9876763E-02 Gb(Abramov) 0.2209977E+00 Vb(Abramov) -0.2866819E+00 Hb(Abramov) -0.6568416E-01 Ex_ueg -0.5725697E-01 Ec_ueg -0.8246676E-02 Delta_ex -0.6639341E-01 Delta_ec 0.1587138E-01 Delta_et -0.2107245E+00 Pxc 0.6943037E+01 Qxc -0.4183215E+01 3,-1 172 3 -1 2.980428 0.843077 -1.966885 Rho 0.1435512E+00 |GRAD(Rho)| 0.3178888E-15 GRAD(Rho)x 0.1158877E-15 GRAD(Rho)y -0.2938188E-16 GRAD(Rho)z 0.2945506E-15 Laplacian 0.5731432E+00 (-1/4)Del**2(Rho)) -0.1432858E+00 Diamond 0.1106765E+01 Metallicity 0.4731817E+01 Ellipticity 0.3095620E-01 Gb(Abramov) 0.2085242E+00 Vb(Abramov) -0.2737627E+00 Hb(Abramov) -0.6523843E-01 Ex_ueg -0.5551292E-01 Ec_ueg -0.8031983E-02 Delta_ex -0.6094369E-01 Delta_ec 0.1479497E-01 Delta_et -0.1959220E+00 Pxc 0.6911484E+01 Qxc -0.4119217E+01 3,-1 173 3 -1 0.056822 -3.178717 -3.204799 Rho 0.2532224E+00 |GRAD(Rho)| 0.3253818E-15 GRAD(Rho)x -0.1273124E-15 GRAD(Rho)y 0.5193328E-16 GRAD(Rho)z 0.2949030E-15 Laplacian 0.9155721E+00 (-1/4)Del**2(Rho)) -0.2288930E+00 Diamond 0.3445459E+01 Metallicity 0.7628237E+01 Ellipticity 0.9605767E-03 Gb(Abramov) 0.4436037E+00 Vb(Abramov) -0.6583144E+00 Hb(Abramov) -0.2147107E+00 Ex_ueg -0.1183190E+00 Ec_ueg -0.1535792E-01 Delta_ex -0.1121421E+00 Delta_ec 0.1982618E-01 Delta_et -0.2746594E+00 Pxc 0.7704102E+01 Qxc -0.5656264E+01 3,-1 174 3 -1 -0.058618 -3.191719 3.212902 Rho 0.2428729E+00 |GRAD(Rho)| 0.2238833E-13 GRAD(Rho)x -0.1708193E-13 GRAD(Rho)y -0.1087205E-13 GRAD(Rho)z 0.9552146E-14 Laplacian 0.8562979E+00 (-1/4)Del**2(Rho)) -0.2140745E+00 Diamond 0.3096438E+01 Metallicity 0.7608287E+01 Ellipticity 0.5313513E-03 Gb(Abramov) 0.4141729E+00 Vb(Abramov) -0.6142714E+00 Hb(Abramov) -0.2000985E+00 Ex_ueg -0.1119156E+00 Ec_ueg -0.1463794E-01 Delta_ex -0.1039076E+00 Delta_ec 0.1907652E-01 Delta_et -0.2653627E+00 Pxc 0.7645584E+01 Qxc -0.5446883E+01 3,-1 175 3 -1 -0.069221 3.179068 -3.217320 Rho 0.2425151E+00 |GRAD(Rho)| 0.3536452E-12 GRAD(Rho)x 0.6388852E-13 GRAD(Rho)y -0.2458175E-12 GRAD(Rho)z 0.2460831E-12 Laplacian 0.8551441E+00 (-1/4)Del**2(Rho)) -0.2137860E+00 Diamond 0.3087031E+01 Metallicity 0.7599852E+01 Ellipticity 0.7450646E-03 Gb(Abramov) 0.4133144E+00 Vb(Abramov) -0.6128427E+00 Hb(Abramov) -0.1995284E+00 Ex_ueg -0.1116958E+00 Ec_ueg -0.1461315E-01 Delta_ex -0.1037290E+00 Delta_ec 0.1906147E-01 Delta_et -0.2651495E+00 Pxc 0.7643512E+01 Qxc -0.5441812E+01 3,-1 176 3 -1 -2.973298 0.843476 1.965884 Rho 0.1443920E+00 |GRAD(Rho)| 0.3567084E-15 GRAD(Rho)x -0.8264331E-16 GRAD(Rho)y 0.3250574E-15 GRAD(Rho)z -0.1214442E-15 Laplacian 0.5762853E+00 (-1/4)Del**2(Rho)) -0.1440713E+00 Diamond 0.1120716E+01 Metallicity 0.4752046E+01 Ellipticity 0.3059420E-01 Gb(Abramov) 0.2101532E+00 Vb(Abramov) -0.2762350E+00 Hb(Abramov) -0.6608183E-01 Ex_ueg -0.5594687E-01 Ec_ueg -0.8085491E-02 Delta_ex -0.6136575E-01 Delta_ec 0.1485576E-01 Delta_et -0.1968986E+00 Pxc 0.6919415E+01 Qxc -0.4130773E+01 3,-1 177 3 -1 0.834960 -2.974978 1.994553 Rho 0.1313947E+00 |GRAD(Rho)| 0.1000211E-14 GRAD(Rho)x 0.6136449E-15 GRAD(Rho)y 0.1641279E-15 GRAD(Rho)z -0.7726092E-15 Laplacian 0.5202512E+00 (-1/4)Del**2(Rho)) -0.1300628E+00 Diamond 0.8929256E+00 Metallicity 0.4498109E+01 Ellipticity 0.3890368E-01 Gb(Abramov) 0.1842146E+00 Vb(Abramov) -0.2383665E+00 Hb(Abramov) -0.5415183E-01 Ex_ueg -0.4933505E-01 Ec_ueg -0.7263371E-02 Delta_ex -0.5402131E-01 Delta_ec 0.1349946E-01 Delta_et -0.1759143E+00 Pxc 0.6792308E+01 Qxc -0.4001739E+01 3,-1 178 3 -1 -1.837099 0.571699 -2.788248 Rho 0.1258995E+00 |GRAD(Rho)| 0.2714429E-15 GRAD(Rho)x -0.1707076E-15 GRAD(Rho)y -0.2064118E-15 GRAD(Rho)z 0.4398134E-16 Laplacian 0.5249922E+00 (-1/4)Del**2(Rho)) -0.1312480E+00 Diamond 0.8552493E+00 Metallicity 0.4151139E+01 Ellipticity 0.7742561E-02 Gb(Abramov) 0.1783035E+00 Vb(Abramov) -0.2253590E+00 Hb(Abramov) -0.4705546E-01 Ex_ueg -0.4660336E-01 Ec_ueg -0.6919096E-02 Delta_ex -0.5394554E-01 Delta_ec 0.1374617E-01 Delta_et -0.1778657E+00 Pxc 0.6735470E+01 Qxc -0.3924404E+01 3,-1 179 3 -1 0.571130 -2.772770 -1.812353 Rho 0.1404313E+00 |GRAD(Rho)| 0.1280022E-12 GRAD(Rho)x -0.8679563E-13 GRAD(Rho)y 0.2212233E-13 GRAD(Rho)z -0.9144222E-13 Laplacian 0.5924786E+00 (-1/4)Del**2(Rho)) -0.1481196E+00 Diamond 0.1113291E+01 Metallicity 0.4412796E+01 Ellipticity 0.8126916E-02 Gb(Abramov) 0.2076834E+00 Vb(Abramov) -0.2672472E+00 Hb(Abramov) -0.5956376E-01 Ex_ueg -0.5391014E-01 Ec_ueg -0.7833824E-02 Delta_ex -0.6265227E-01 Delta_ec 0.1535667E-01 Delta_et -0.2026512E+00 Pxc 0.6881714E+01 Qxc -0.4079807E+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 76 140 164 154 124 177 174 156 170 179 163 118 173 131 83 82 158 161 175 119 159 160 81 84 162 125 132 142 133 143 168 78 104 99 105 101 106 54 169 73 149 136 150 148 58 107 57 151 135 115 157 178 63 113 110 112 108 116 176 137 111 167 171 128 144 130 147 126 145 166 172 129 146 91 153 165 139 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 2.490416 1.932971 1.950584 1.938423 1.951260 1.712531 2.438301 1.929436 1.937688 1.931873 1.940260 1.723651 2.491330 1.910648 1.945873 1.943552 1.973132 1.713105 2.504710 1.929689 1.929540 1.955260 1.955665 1.712424 2.457481 1.935473 1.924137 1.944563 1.933936 1.723406 2.460515 1.946571 1.932109 1.939582 1.917059 1.723651 2.460799 1.940367 1.919652 1.943984 1.929163 1.723857 2.458798 1.925665 1.914988 1.954741 1.941223 1.723679 2.510467 1.926108 1.958477 1.930017 1.954474 1.712522 2.456322 1.936201 1.931083 1.936913 1.930335 1.723649 2.444145 1.919697 1.933721 1.937452 1.948112 1.723896 2.454878 1.925947 1.929187 1.939167 1.942275 1.723439 1.557521 1.556712 1.556664 1.555684 2.491383 1.933514 1.951130 1.939245 1.952082 1.712539 2.439399 1.929820 1.938067 1.932492 1.940919 1.723652 2.492299 1.911225 1.946386 1.944371 1.973987 1.713112 2.505657 1.930233 1.930066 1.956097 1.956494 1.712430 2.458537 1.935890 1.924568 1.945193 1.934554 1.723409 2.461583 1.946938 1.932528 1.940190 1.917662 1.723655 2.461855 1.940802 1.920121 1.944611 1.929765 1.723859 2.459847 1.926073 1.915405 1.955402 1.941858 1.723680 2.511393 1.926653 1.959052 1.930824 1.955318 1.712530 2.457391 1.936576 1.931543 1.937536 1.930940 1.723652 2.445221 1.920067 1.934174 1.938069 1.948777 1.723900 2.455942 1.926325 1.929559 1.939799 1.942935 1.723442 1.557535 1.556726 1.556680 1.555692 29 23 23 27 23 20 27 23 23 23 27 21 29 23 23 23 23 20 29 23 23 23 23 20 29 26 26 23 23 21 29 23 23 23 23 22 29 25 25 23 23 20 29 25 23 27 23 21 29 23 23 26 26 20 29 23 25 23 23 22 27 23 26 23 26 23 29 23 23 23 26 21 22 23 21 22 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 Mo W Mo Mo W W W W Mo 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 O O O O O O O O O O O O O O O O O P 2.3907 2.5089 2.3939 2.3837 2.5083 2.5039 2.4991 2.5045 2.3893 2.5054 2.5062 2.5080 -1.0523 -1.0511 -1.0510 -1.0486 -0.9477 -0.9507 -0.9151 -0.9489 -0.9490 -0.9149 -0.8931 -0.9166 -0.9162 -0.9194 -0.9159 -0.9500 -0.9456 -0.9096 -0.9453 -0.9456 -0.9089 -0.9113 -0.9113 -0.9110 -0.9457 -0.9128 -0.9112 -0.9126 -0.6554 -0.7354 -0.6573 -0.6556 -0.7359 -0.7359 -0.7358 -0.7359 -0.6565 -0.7355 -0.7361 -0.7357 2.3204 1.9422 2.0851 1.9357 1.9485 2.0849 2.0837 2.0828 2.0836 1.9375 2.0837 2.0834 2.0851 1.8930 1.8930 1.8933 1.8932 1.9358 1.9349 1.9402 1.9357 1.9351 1.9395 1.9436 1.9392 1.9399 1.9390 1.9392 1.9351 1.9483 1.9501 1.9482 1.9482 1.9497 1.9495 1.9492 1.9492 1.9482 1.9491 1.9493 1.9491 1.9873 1.9754 1.9870 1.9874 1.9758 1.9754 1.9753 1.9755 1.9872 1.9754 1.9754 1.9757 2.4916 6.0566 6.0884 6.0541 6.0578 6.0894 6.0884 6.0875 6.0883 6.0557 6.0877 6.0875 6.0895 5.1185 5.1174 5.1171 5.1149 4.9814 4.9853 4.9465 4.9829 4.9832 4.9469 4.9230 4.9489 4.9479 4.9519 4.9482 4.9845 4.9640 4.9287 4.9638 4.9642 4.9284 4.9309 4.9312 4.9309 4.9642 4.9327 4.9309 4.9327 4.6315 4.7215 4.6339 4.6315 4.7216 4.7220 4.7220 4.7219 4.6327 4.7216 4.7222 4.7215 7.3525 3.6105 3.2885 3.6163 3.6101 3.2884 3.2950 3.3016 3.2945 3.6175 3.2942 3.2938 3.2883 0.0408 0.0407 0.0407 0.0405 0.0305 0.0305 0.0283 0.0303 0.0306 0.0285 0.0266 0.0284 0.0285 0.0285 0.0285 0.0305 0.0332 0.0308 0.0333 0.0332 0.0308 0.0309 0.0309 0.0309 0.0332 0.0310 0.0309 0.0308 0.0366 0.0385 0.0365 0.0366 0.0385 0.0385 0.0385 0.0385 0.0366 0.0385 0.0385 0.0385 0.8356 0.0000 14.0291 0.0000 0.0000 14.0291 14.0290 14.0290 14.0291 0.0000 14.0291 14.0291 14.0291 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 Mo W Mo Mo W W W W Mo 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 O O O O O O O O O O O O O O O O O P 3.188273 2.528181 3.187167 3.188248 2.526296 2.525122 2.524194 2.525031 3.186250 2.525977 2.525705 2.526929 -1.068490 -1.066300 -1.067631 -1.066010 -0.934587 -0.937696 -1.050187 -0.935144 -0.936167 -1.051110 -1.163163 -1.050580 -1.045231 -1.046596 -1.051301 -0.936958 -0.910340 -1.026116 -0.910507 -0.910461 -1.023351 -1.023453 -1.020336 -1.020049 -0.910234 -1.020426 -1.020898 -1.016243 -0.920344 -0.757415 -0.921546 -0.920551 -0.757245 -0.757503 -0.757404 -0.757403 -0.920349 -0.757224 -0.757762 -0.757272 2.004206 2.377567 1.955874 2.383173 2.377649 1.954920 1.960661 1.965699 1.960346 2.383153 1.960445 1.959814 1.954829 -0.814217 -0.815812 -0.817299 -0.819564 -0.697541 -0.699107 -0.799162 -0.699473 -0.697605 -0.799288 -0.902903 -0.798564 -0.798395 -0.800916 -0.798370 -0.699391 -0.733971 -0.822678 -0.732824 -0.729564 -0.819720 -0.818893 -0.819868 -0.819218 -0.730913 -0.818822 -0.822411 -0.820540 -0.678175 -0.638377 -0.676388 -0.678020 -0.637904 -0.635378 -0.632638 -0.635038 -0.674473 -0.635382 -0.636140 -0.638182 1.548991 2.460091 2.052387 2.465605 2.459475 2.052330 2.058046 2.063903 2.057864 2.465725 2.057879 2.057856 2.052078 -0.853775 -0.855189 -0.856072 -0.857650 -0.775954 -0.776152 -0.878028 -0.779540 -0.773416 -0.872754 -0.973368 -0.874541 -0.873809 -0.874422 -0.873034 -0.775955 -0.775645 -0.861852 -0.774241 -0.769250 -0.855916 -0.857531 -0.857045 -0.855121 -0.771121 -0.855987 -0.860609 -0.856177 -0.638899 -0.602555 -0.637227 -0.638614 -0.601911 -0.599816 -0.596505 -0.598741 -0.635183 -0.599383 -0.599915 -0.601900 1.521561 -1.01156721 0.84769833 0.02915036 1.32011758 -6.22260788 -0.05306576 4.13837081 0.96649151 -3.83371200 5.25611636 -398.9618 407.5115 -81.6687 -374.9223 -10.3133 -458.3546 May07-2024 20:06:56 Nodes: 1 Procs: 1 May07-2024 20:06:56 Nodes: 1 Procs: 1 0 May07-2024 20:06:57 Nodes: 1 Procs: 1 May07-2024 20:06:58 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May07-2024 20:06:58 Nodes: 1 Procs: 1 May07-2024 20:06:59 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May07-2024 20:06:59 Nodes: 1 Procs: 1 May07-2024 20:07:00 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 May07-2024 20:07:02 Nodes: 1 Procs: 24 *** (NO TITLE) *** -3 -16.84015519 -16.84140484 -16.84208202 -16.84228273 -16.84264508 -16.84309512 -16.84345921 -16.84372448 -16.84391503 -16.84399748 -16.84408427 -16.84412322 -16.84414498 -16.84417092 -16.84420104 -16.84422239 GEOMETRY CONVERGED