ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:36:35 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.06 1.48 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun10-2024 16:36:35 Nodes: 1 Procs: 1 Jun10-2024 16:36:36 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:36:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.59 0.06 1.95 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 16:36:35 Nodes: 1 Procs: 1 Jun10-2024 16:36:36 Nodes: 1 Procs: 1 0 Jun10-2024 16:36:39 Nodes: 1 Procs: 1 Jun10-2024 16:36:40 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:36:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.06 1.83 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 16:36:35 Nodes: 1 Procs: 1 Jun10-2024 16:36:36 Nodes: 1 Procs: 1 0 Jun10-2024 16:36:39 Nodes: 1 Procs: 1 Jun10-2024 16:36:40 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:36:43 Nodes: 1 Procs: 1 Jun10-2024 16:36:44 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:36:47 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.98 0.06 1.38 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 16:36:35 Nodes: 1 Procs: 1 Jun10-2024 16:36:36 Nodes: 1 Procs: 1 0 Jun10-2024 16:36:39 Nodes: 1 Procs: 1 Jun10-2024 16:36:40 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:36:43 Nodes: 1 Procs: 1 Jun10-2024 16:36:44 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:36:47 Nodes: 1 Procs: 1 Jun10-2024 16:36:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:36:51 Hydrogen (TZP) c5-31 c5-31 c5-31 c5-31 c5-31 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.11 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 16:36:35 Nodes: 1 Procs: 1 Jun10-2024 16:36:36 Nodes: 1 Procs: 1 0 Jun10-2024 16:36:39 Nodes: 1 Procs: 1 Jun10-2024 16:36:40 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:36:43 Nodes: 1 Procs: 1 Jun10-2024 16:36:44 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:36:47 Nodes: 1 Procs: 1 Jun10-2024 16:36:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 16:36:51 Nodes: 1 Procs: 1 Jun10-2024 16:36:53 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:36:58 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2193.7381999999993 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun10-2024 16:36:53 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun10-2024 16:36:44 1 1 Arsenic TZP 3p t21.Mo ADF 2019.304 Jun10-2024 16:36:40 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun10-2024 16:36:49 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun10-2024 16:36:36 1 1 Hydrogen TZP 1 1 -15.78719331 0.29155249 0.00100000 F 0.09843629 0.00066667 F 0.29155249 0.09843629 0.24155529 0.01000000 F 0.06591232 0.00666667 F Cartesian 2193.7381999999993 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-1.073199 -1.011629 -1.042033 Rho 0.3190930E+03 3,-3 15 3 -3 0.945204 0.951789 -0.971121 Rho 0.3190299E+03 3,-3 16 3 -3 -0.997484 0.951793 0.990517 Rho 0.3190031E+03 3,-3 17 3 -3 -3.014554 -1.099040 1.175463 Rho 0.3189393E+03 3,-3 18 3 -3 3.049898 -1.133321 -1.111862 Rho 0.3189217E+03 3,-3 19 3 -3 -3.016467 1.200549 -1.077460 Rho 0.3192068E+03 3,-3 20 3 -3 3.019765 1.165204 1.186545 Rho 0.3189335E+03 3,-3 21 3 -3 1.347491 -1.261972 -3.079937 Rho 0.3188151E+03 3,-3 22 3 -3 1.126545 1.160574 2.963778 Rho 0.3189379E+03 3,-3 23 3 -3 -1.134538 1.128606 -2.981206 Rho 0.3189677E+03 3,-3 24 3 -3 -1.156040 -1.137280 3.051048 Rho 0.3188872E+03 3,-3 25 3 -3 -1.166485 3.070471 -1.135202 Rho 0.3190388E+03 3,-3 26 3 -3 -1.213039 -2.980704 1.224558 Rho 0.3189375E+03 3,-3 27 3 -3 1.150397 3.025455 1.116685 Rho 0.3188684E+03 3,-3 28 3 -3 1.193629 -3.090699 -1.158558 Rho 0.3191469E+03 3,-3 29 3 -3 3.372835 -1.493563 1.573355 Rho 0.3191059E+03 3,-3 30 3 -3 -3.464275 -1.563379 -1.553685 Rho 0.3190716E+03 3,-3 31 3 -3 3.442726 1.494279 -1.480291 Rho 0.3190202E+03 3,-3 32 3 -3 -3.450550 1.532258 1.617769 Rho 0.3190175E+03 3,-3 33 3 -3 1.445121 -1.498723 3.458973 Rho 0.3190190E+03 3,-3 34 3 -3 1.540202 1.466773 -3.428254 Rho 0.3191276E+03 3,-3 35 3 -3 -1.502503 1.538765 3.451005 Rho 0.3189585E+03 3,-3 36 3 -3 -1.817351 -1.455362 -3.820349 Rho 0.3194552E+03 3,-3 37 3 -3 -1.600082 -3.665645 -1.253738 Rho 0.3188180E+03 3,-3 38 3 -3 -1.503468 3.409357 1.525312 Rho 0.3190269E+03 3,-3 39 3 -3 1.516399 -3.413604 1.556038 Rho 0.3189624E+03 3,-3 40 3 -3 1.546636 3.365006 -1.531888 Rho 0.3190356E+03 3,-3 41 3 -3 -0.222476 -3.779630 3.746286 Rho 0.3193289E+03 3,-3 42 3 -3 3.854043 -0.118154 -3.769080 Rho 0.3194521E+03 3,-3 43 3 -3 -0.217803 3.727471 -3.715897 Rho 0.3194723E+03 3,-3 44 3 -3 0.241723 3.769016 3.720243 Rho 0.3193233E+03 3,-3 45 3 -3 3.759430 -3.740490 -0.207470 Rho 0.3192847E+03 3,-3 46 3 -3 3.768724 3.720492 0.222411 Rho 0.3193338E+03 3,-3 47 3 -3 -3.839280 3.730070 -0.171787 Rho 0.3194427E+03 3,-3 48 3 -3 -3.926935 -3.617383 0.276553 Rho 0.3194828E+03 3,-3 49 3 -3 -3.840625 0.359464 -3.621486 Rho 0.3194188E+03 3,-3 50 3 -3 -3.711478 -0.212239 3.823163 Rho 0.3193346E+03 3,-3 51 3 -3 3.708301 0.186380 3.816024 Rho 0.3194617E+03 3,-3 52 3 -3 1.160138 -1.976898 -2.388617 Rho 0.4254609E+00 3,-3 53 3 -3 -0.630470 -3.423216 -1.243257 Rho 0.4383476E+00 3,-3 54 3 -1 -3.336477 -3.102987 0.095248 Rho 0.2337456E+00 |GRAD(Rho)| 0.7915132E-14 GRAD(Rho)x 0.6120701E-14 GRAD(Rho)y -0.2234541E-15 GRAD(Rho)z -0.5013622E-14 Laplacian 0.8584095E+00 (-1/4)Del**2(Rho)) -0.2146024E+00 Diamond 0.2940680E+01 Metallicity 0.7120181E+01 Ellipticity 0.2399121E-02 Gb(Abramov) 0.3977362E+00 Vb(Abramov) -0.5808700E+00 Hb(Abramov) -0.1831338E+00 Ex_ueg -0.1063432E+00 Ec_ueg -0.1400784E-01 Delta_ex -0.1029999E+00 Delta_ec 0.1910809E-01 Delta_et -0.2644051E+00 Pxc 0.7591692E+01 Qxc -0.5390381E+01 3,-1 55 3 +3 -1.140155 -1.116133 1.147272 Rho 0.5389271E-02 |GRAD(Rho)| 0.7272327E-15 GRAD(Rho)x 0.3368076E-15 GRAD(Rho)y 0.6438867E-15 GRAD(Rho)z -0.2894732E-16 Laplacian 0.2101030E-01 (-1/4)Del**2(Rho)) -0.5252574E-02 Diamond 0.1605072E-03 Metallicity 0.5433308E+00 Ellipticity -0.2375625E+00 Gb(Abramov) 0.3977364E-02 Vb(Abramov) -0.2702153E-02 Hb(Abramov) 0.1275211E-02 Ex_ueg -0.6978441E-03 Ec_ueg -0.1637030E-03 Delta_ex -0.7394350E-03 Delta_ec 0.8940584E-04 Delta_et -0.7258549E-03 Pxc 0.4262867E+01 Qxc -0.8270545E+01 3,+3 56 3 +1 0.173529 2.949941 -0.190939 Rho 0.5636232E-02 |GRAD(Rho)| 0.1300161E-13 GRAD(Rho)x -0.1159481E-14 GRAD(Rho)y -0.1989705E-14 GRAD(Rho)z -0.1279604E-13 Laplacian 0.2340012E-01 (-1/4)Del**2(Rho)) -0.5850031E-02 Diamond 0.6208779E-03 Metallicity 0.5256660E+00 Ellipticity -0.2828744E+01 Gb(Abramov) 0.4412547E-02 Vb(Abramov) -0.2975064E-02 Hb(Abramov) 0.1437483E-02 Ex_ueg -0.7408045E-03 Ec_ueg -0.1743944E-03 Delta_ex -0.1174898E-02 Delta_ec 0.7083214E-03 Delta_et -0.3998854E-02 Pxc 0.4247868E+01 Qxc -0.1658708E+01 3,+1 57 3 +1 -2.243802 -1.162779 -1.406690 Rho 0.2970704E-01 |GRAD(Rho)| 0.1141069E-15 GRAD(Rho)x -0.1065431E-15 GRAD(Rho)y -0.3504932E-16 GRAD(Rho)z -0.2098790E-16 Laplacian 0.1239196E+00 (-1/4)Del**2(Rho)) -0.3097989E-01 Diamond 0.2201149E-01 Metallicity 0.1584549E+01 Ellipticity -0.5901758E+01 Gb(Abramov) 0.2883479E-01 Vb(Abramov) -0.2668968E-01 Hb(Abramov) 0.2145104E-02 Ex_ueg -0.6795128E-02 Ec_ueg -0.1328506E-02 Delta_ex -0.8198276E-02 Delta_ec 0.2327225E-02 Delta_et -0.2139290E-01 Pxc 0.5114864E+01 Qxc -0.3522769E+01 3,+1 58 3 +3 -1.161070 1.154929 -1.097426 Rho 0.5195054E-02 |GRAD(Rho)| 0.8244990E-16 GRAD(Rho)x -0.3988977E-16 GRAD(Rho)y -0.7213542E-16 GRAD(Rho)z 0.1809118E-17 Laplacian 0.1993578E-01 (-1/4)Del**2(Rho)) -0.4983945E-02 Diamond 0.1445992E-03 Metallicity 0.5386377E+00 Ellipticity -0.3208303E+00 Gb(Abramov) 0.3770054E-02 Vb(Abramov) -0.2556162E-02 Hb(Abramov) 0.1213892E-02 Ex_ueg -0.6645156E-03 Ec_ueg -0.1553164E-03 Delta_ex -0.6942675E-03 Delta_ec 0.8448689E-04 Delta_et -0.6828156E-03 Pxc 0.4278463E+01 Qxc -0.8217459E+01 3,+3 59 3 -1 -1.797933 1.691994 0.550642 Rho 0.4166392E-01 |GRAD(Rho)| 0.5870911E-13 GRAD(Rho)x 0.2983407E-13 GRAD(Rho)y -0.5045619E-13 GRAD(Rho)z 0.3295649E-14 Laplacian 0.1720855E+00 (-1/4)Del**2(Rho)) -0.4302138E-01 Diamond 0.6935416E-01 Metallicity 0.2005099E+01 Ellipticity 0.1956809E-01 Gb(Abramov) 0.4305794E-01 Vb(Abramov) -0.4309450E-01 Hb(Abramov) -0.3655802E-04 Ex_ueg -0.1066756E-01 Ec_ueg -0.1959552E-02 Delta_ex -0.1360332E-01 Delta_ec 0.5259459E-02 Delta_et -0.5286379E-01 Pxc 0.5443879E+01 Qxc -0.2586448E+01 3,-1 60 3 -1 -3.292380 3.153085 -0.031980 Rho 0.2298906E+00 |GRAD(Rho)| 0.4288116E-13 GRAD(Rho)x 0.3125267E-14 GRAD(Rho)y -0.3705180E-13 GRAD(Rho)z -0.2135863E-13 Laplacian 0.8302330E+00 (-1/4)Del**2(Rho)) -0.2075583E+00 Diamond 0.2793161E+01 Metallicity 0.7160587E+01 Ellipticity 0.1183541E-01 Gb(Abramov) 0.3860787E+00 Vb(Abramov) -0.5645991E+00 Hb(Abramov) -0.1785204E+00 Ex_ueg -0.1040112E+00 Ec_ueg -0.1374308E-01 Delta_ex -0.9921913E-01 Delta_ec 0.1862462E-01 Delta_et -0.2577554E+00 Pxc 0.7568259E+01 Qxc -0.5327310E+01 3,-1 61 3 +1 1.327733 -2.209293 1.068734 Rho 0.2954949E-01 |GRAD(Rho)| 0.1478026E-14 GRAD(Rho)x 0.1037047E-14 GRAD(Rho)y -0.7496190E-15 GRAD(Rho)z -0.7397068E-15 Laplacian 0.1180848E+00 (-1/4)Del**2(Rho)) -0.2952120E-01 Diamond 0.1921697E-01 Metallicity 0.1648172E+01 Ellipticity -0.4087718E+01 Gb(Abramov) 0.2779013E-01 Vb(Abramov) -0.2605907E-01 Hb(Abramov) 0.1731066E-02 Ex_ueg -0.6747118E-02 Ec_ueg -0.1320393E-02 Delta_ex -0.7661723E-02 Delta_ec 0.1968579E-02 Delta_et -0.1809542E-01 Pxc 0.5109933E+01 Qxc -0.3892006E+01 3,+1 62 3 -1 -2.991805 0.866002 2.071322 Rho 0.1330850E+00 |GRAD(Rho)| 0.6183278E-15 GRAD(Rho)x 0.2682113E-15 GRAD(Rho)y -0.5192922E-15 GRAD(Rho)z 0.2018107E-15 Laplacian 0.5283136E+00 (-1/4)Del**2(Rho)) -0.1320784E+00 Diamond 0.9280896E+00 Metallicity 0.4524837E+01 Ellipticity 0.4099091E-01 Gb(Abramov) 0.1876578E+00 Vb(Abramov) -0.2432372E+00 Hb(Abramov) -0.5557941E-01 Ex_ueg -0.5018304E-01 Ec_ueg -0.7369667E-02 Delta_ex -0.5511378E-01 Delta_ec 0.1381865E-01 Delta_et -0.1807335E+00 Pxc 0.6809404E+01 Qxc -0.3988363E+01 3,-1 63 3 +1 0.480942 1.668154 0.518554 Rho 0.8182923E-02 |GRAD(Rho)| 0.3701144E-15 GRAD(Rho)x 0.3307202E-15 GRAD(Rho)y 0.1405621E-15 GRAD(Rho)z -0.8860622E-16 Laplacian 0.3232796E-01 (-1/4)Del**2(Rho)) -0.8081989E-02 Diamond 0.7931028E-03 Metallicity 0.7082975E+00 Ellipticity -0.1393088E+01 Gb(Abramov) 0.6342068E-02 Vb(Abramov) -0.4602147E-02 Hb(Abramov) 0.1739921E-02 Ex_ueg -0.1217857E-02 Ec_ueg -0.2863578E-03 Delta_ex -0.1451034E-02 Delta_ec 0.4416855E-03 Delta_et -0.2991396E-02 Pxc 0.4252922E+01 Qxc -0.3285220E+01 3,+1 64 3 +1 -2.205082 1.335865 1.154647 Rho 0.2682687E-01 |GRAD(Rho)| 0.8840777E-14 GRAD(Rho)x -0.4952583E-14 GRAD(Rho)y 0.6130586E-14 GRAD(Rho)z -0.4005894E-14 Laplacian 0.1058956E+00 (-1/4)Del**2(Rho)) -0.2647390E-01 Diamond 0.1522674E-01 Metallicity 0.1564415E+01 Ellipticity -0.3869434E+01 Gb(Abramov) 0.2455196E-01 Vb(Abramov) -0.2263002E-01 Hb(Abramov) 0.1921940E-02 Ex_ueg -0.5931235E-02 Ec_ueg -0.1181127E-02 Delta_ex -0.6708124E-02 Delta_ec 0.1790646E-02 Delta_et -0.1608094E-01 Pxc 0.5021674E+01 Qxc -0.3746203E+01 3,+1 65 3 -1 -3.059668 1.975520 0.915808 Rho 0.1365999E+00 |GRAD(Rho)| 0.5625611E-12 GRAD(Rho)x -0.2189270E-12 GRAD(Rho)y -0.2833080E-12 GRAD(Rho)z 0.4339154E-12 Laplacian 0.5243062E+00 (-1/4)Del**2(Rho)) -0.1310766E+00 Diamond 0.9478931E+00 Metallicity 0.4761881E+01 Ellipticity 0.4637094E-01 Gb(Abramov) 0.1914129E+00 Vb(Abramov) -0.2517492E+00 Hb(Abramov) -0.6033631E-01 Ex_ueg -0.5195796E-01 Ec_ueg -0.7591311E-02 Delta_ex -0.5501445E-01 Delta_ec 0.1357838E-01 Delta_et -0.1782196E+00 Pxc 0.6844398E+01 Qxc -0.4051622E+01 3,-1 66 3 -1 -2.977946 -0.944708 -2.100015 Rho 0.1140142E+00 |GRAD(Rho)| 0.4066621E-13 GRAD(Rho)x -0.2266282E-13 GRAD(Rho)y 0.5273844E-14 GRAD(Rho)z 0.3335152E-13 Laplacian 0.4290290E+00 (-1/4)Del**2(Rho)) -0.1072573E+00 Diamond 0.6320411E+00 Metallicity 0.4305840E+01 Ellipticity 0.3317134E-01 Gb(Abramov) 0.1484769E+00 Vb(Abramov) -0.1896966E+00 Hb(Abramov) -0.4121968E-01 Ex_ueg -0.4083164E-01 Ec_ueg -0.6181534E-02 Delta_ex -0.4322004E-01 Delta_ec 0.1179744E-01 Delta_et -0.1505244E+00 Pxc 0.6605422E+01 Qxc -0.3663510E+01 3,-1 67 3 +1 -2.903458 -0.258541 -0.296344 Rho 0.5221004E-02 |GRAD(Rho)| 0.8280877E-17 GRAD(Rho)x 0.1713907E-18 GRAD(Rho)y 0.6508681E-17 GRAD(Rho)z -0.5116701E-17 Laplacian 0.2168528E-01 (-1/4)Del**2(Rho)) -0.5421319E-02 Diamond 0.3821429E-03 Metallicity 0.4993116E+00 Ellipticity -0.1360669E+01 Gb(Abramov) 0.4065367E-02 Vb(Abramov) -0.2709415E-02 Hb(Abramov) 0.1355952E-02 Ex_ueg -0.6689451E-03 Ec_ueg -0.1564359E-03 Delta_ex -0.9523907E-03 Delta_ec 0.4421018E-03 Delta_et -0.2529208E-02 Pxc 0.4276161E+01 Qxc -0.2154234E+01 3,+1 68 3 -1 -2.825756 -1.765858 0.571891 Rho 0.1304311E+00 |GRAD(Rho)| 0.1342662E-15 GRAD(Rho)x -0.3535516E-16 GRAD(Rho)y 0.1170938E-15 GRAD(Rho)z 0.5537563E-16 Laplacian 0.5455760E+00 (-1/4)Del**2(Rho)) -0.1363940E+00 Diamond 0.9210925E+00 Metallicity 0.4237014E+01 Ellipticity 0.1506561E-01 Gb(Abramov) 0.1872466E+00 Vb(Abramov) -0.2380991E+00 Hb(Abramov) -0.5085256E-01 Ex_ueg -0.4885324E-01 Ec_ueg -0.7202856E-02 Delta_ex -0.5646555E-01 Delta_ec 0.1403049E-01 Delta_et -0.1823344E+00 Pxc 0.6782482E+01 Qxc -0.4024488E+01 3,-1 69 3 +1 2.159258 1.045478 -1.386118 Rho 0.2532213E-01 |GRAD(Rho)| 0.3393335E-14 GRAD(Rho)x 0.2904819E-14 GRAD(Rho)y -0.1573229E-14 GRAD(Rho)z 0.7756916E-15 Laplacian 0.9947517E-01 (-1/4)Del**2(Rho)) -0.2486879E-01 Diamond 0.1287728E-01 Metallicity 0.1512629E+01 Ellipticity -0.3163699E+01 Gb(Abramov) 0.2284874E-01 Vb(Abramov) -0.2082868E-01 Hb(Abramov) 0.2020056E-02 Ex_ueg -0.5491851E-02 Ec_ueg -0.1104947E-02 Delta_ex -0.6169120E-02 Delta_ec 0.1618570E-02 Delta_et -0.1434766E-01 Pxc 0.4970241E+01 Qxc -0.3811464E+01 3,+1 70 3 -1 -2.761240 -0.530754 1.845303 Rho 0.1375766E+00 |GRAD(Rho)| 0.1214114E-14 GRAD(Rho)x 0.1936656E-15 GRAD(Rho)y 0.6833455E-15 GRAD(Rho)z 0.9846860E-15 Laplacian 0.5705086E+00 (-1/4)Del**2(Rho)) -0.1426271E+00 Diamond 0.1044282E+01 Metallicity 0.4428522E+01 Ellipticity 0.9627506E-02 Gb(Abramov) 0.2003560E+00 Vb(Abramov) -0.2580849E+00 Hb(Abramov) -0.5772887E-01 Ex_ueg -0.5245393E-01 Ec_ueg -0.7653047E-02 Delta_ex -0.6001074E-01 Delta_ec 0.1482911E-01 Delta_et -0.1950109E+00 Pxc 0.6853992E+01 Qxc -0.4046821E+01 3,-1 71 3 -1 -1.719661 0.522993 1.763033 Rho 0.5008781E-01 |GRAD(Rho)| 0.7247419E-16 GRAD(Rho)x 0.6296674E-16 GRAD(Rho)y -0.9997742E-17 GRAD(Rho)z 0.3446365E-16 Laplacian 0.2009098E+00 (-1/4)Del**2(Rho)) -0.5022746E-01 Diamond 0.1010978E+00 Metallicity 0.2334347E+01 Ellipticity 0.1420052E-01 Gb(Abramov) 0.5302636E-01 Vb(Abramov) -0.5582525E-01 Hb(Abramov) -0.2798898E-02 Ex_ueg -0.1363623E-01 Ec_ueg -0.2419728E-02 Delta_ex -0.1650203E-01 Delta_ec 0.5910073E-02 Delta_et -0.6232731E-01 Pxc 0.5635440E+01 Qxc -0.2792188E+01 3,-1 72 3 +1 -0.546919 -0.569112 1.669308 Rho 0.8622134E-02 |GRAD(Rho)| 0.9186122E-14 GRAD(Rho)x 0.6067265E-14 GRAD(Rho)y 0.2196275E-14 GRAD(Rho)z -0.6538311E-14 Laplacian 0.3392823E-01 (-1/4)Del**2(Rho)) -0.8482057E-02 Diamond 0.8898780E-03 Metallicity 0.7363370E+00 Ellipticity -0.1410347E+01 Gb(Abramov) 0.6695646E-02 Vb(Abramov) -0.4909236E-02 Hb(Abramov) 0.1786410E-02 Ex_ueg -0.1305784E-02 Ec_ueg -0.3059706E-03 Delta_ex -0.1541431E-02 Delta_ec 0.4603717E-03 Delta_et -0.3162545E-02 Pxc 0.4267679E+01 Qxc -0.3348231E+01 3,+1 73 3 +1 -0.596105 1.680572 -0.515011 Rho 0.8129830E-02 |GRAD(Rho)| 0.3782799E-13 GRAD(Rho)x 0.4034706E-14 GRAD(Rho)y -0.1260655E-13 GRAD(Rho)z 0.3543661E-13 Laplacian 0.3106816E-01 (-1/4)Del**2(Rho)) -0.7767041E-02 Diamond 0.7709920E-03 Metallicity 0.7290657E+00 Ellipticity -0.1444926E+01 Gb(Abramov) 0.6121808E-02 Vb(Abramov) -0.4476575E-02 Hb(Abramov) 0.1645233E-02 Ex_ueg -0.1207333E-02 Ec_ueg -0.2839927E-03 Delta_ex -0.1399732E-02 Delta_ec 0.4379354E-03 Delta_et -0.2949606E-02 Pxc 0.4251280E+01 Qxc -0.3196207E+01 3,+1 74 3 +1 -1.756980 1.747891 -1.719465 Rho 0.1100234E-01 |GRAD(Rho)| 0.2697988E-16 GRAD(Rho)x -0.8951936E-17 GRAD(Rho)y -0.2343945E-16 GRAD(Rho)z -0.9918091E-17 Laplacian 0.5315184E-01 (-1/4)Del**2(Rho)) -0.1328796E-01 Diamond 0.1929712E-02 Metallicity 0.7056182E+00 Ellipticity -0.1287531E+01 Gb(Abramov) 0.1042134E-01 Vb(Abramov) -0.7554729E-02 Hb(Abramov) 0.2866616E-02 Ex_ueg -0.1807306E-02 Ec_ueg -0.4137115E-03 Delta_ex -0.2566289E-02 Delta_ec 0.7123707E-03 Delta_et -0.5210916E-02 Pxc 0.4368517E+01 Qxc -0.3602462E+01 3,+1 75 3 -1 -2.836466 1.799938 -0.514652 Rho 0.1904091E+00 |GRAD(Rho)| 0.4680324E-15 GRAD(Rho)x 0.4248717E-17 GRAD(Rho)y 0.4454987E-15 GRAD(Rho)z 0.1434128E-15 Laplacian 0.7641740E+00 (-1/4)Del**2(Rho)) -0.1910435E+00 Diamond 0.2011504E+01 Metallicity 0.5682861E+01 Ellipticity 0.3020559E-01 Gb(Abramov) 0.3083079E+00 Vb(Abramov) -0.4255724E+00 Hb(Abramov) -0.1172644E+00 Ex_ueg -0.8090374E-01 Ec_ueg -0.1107877E-01 Delta_ex -0.8673241E-01 Delta_ec 0.1757388E-01 Delta_et -0.2384509E+00 Pxc 0.7302594E+01 Qxc -0.4935303E+01 3,-1 76 3 +3 -0.054499 2.293696 0.019376 Rho 0.4549564E-02 |GRAD(Rho)| 0.1566913E-16 GRAD(Rho)x 0.1089576E-16 GRAD(Rho)y -0.1026752E-16 GRAD(Rho)z -0.4624063E-17 Laplacian 0.1862165E-01 (-1/4)Del**2(Rho)) -0.4655413E-02 Diamond 0.1512048E-03 Metallicity 0.4622511E+00 Ellipticity -0.3525052E+00 Gb(Abramov) 0.3462270E-02 Vb(Abramov) -0.2269127E-02 Hb(Abramov) 0.1193143E-02 Ex_ueg -0.5567729E-03 Ec_ueg -0.1275805E-03 Delta_ex -0.6656607E-03 Delta_ec 0.1514585E-03 Delta_et -0.9770076E-03 Pxc 0.4364091E+01 Qxc -0.4395002E+01 3,+3 77 3 -1 -2.073904 -3.103223 -0.702524 Rho 0.1394549E+00 |GRAD(Rho)| 0.3536544E-15 GRAD(Rho)x 0.1938350E-15 GRAD(Rho)y -0.2513045E-15 GRAD(Rho)z -0.1560302E-15 Laplacian 0.5094750E+00 (-1/4)Del**2(Rho)) -0.1273688E+00 Diamond 0.9631286E+00 Metallicity 0.5072397E+01 Ellipticity 0.1282499E+00 Gb(Abramov) 0.1925900E+00 Vb(Abramov) -0.2578112E+00 Hb(Abramov) -0.6522123E-01 Ex_ueg -0.5341093E-01 Ec_ueg -0.7771932E-02 Delta_ex -0.5393505E-01 Delta_ec 0.1349807E-01 Delta_et -0.1784932E+00 Pxc 0.6872285E+01 Qxc -0.3995760E+01 3,-1 78 3 +1 -0.660818 -1.670829 0.500812 Rho 0.8935765E-02 |GRAD(Rho)| 0.5766623E-15 GRAD(Rho)x -0.5855347E-18 GRAD(Rho)y 0.3254879E-15 GRAD(Rho)z -0.4760217E-15 Laplacian 0.3391098E-01 (-1/4)Del**2(Rho)) -0.8477745E-02 Diamond 0.9731974E-03 Metallicity 0.7819142E+00 Ellipticity -0.1517813E+01 Gb(Abramov) 0.6756641E-02 Vb(Abramov) -0.5035538E-02 Hb(Abramov) 0.1721104E-02 Ex_ueg -0.1369496E-02 Ec_ueg -0.3200281E-03 Delta_ex -0.1571607E-02 Delta_ec 0.4902199E-03 Delta_et -0.3373285E-02 Pxc 0.4279299E+01 Qxc -0.3205923E+01 3,+1 79 3 +1 -0.228637 -2.337321 -1.109014 Rho 0.7568732E-02 |GRAD(Rho)| 0.4225315E-17 GRAD(Rho)x 0.2734725E-17 GRAD(Rho)y 0.2742213E-17 GRAD(Rho)z 0.1689626E-17 Laplacian 0.2989970E-01 (-1/4)Del**2(Rho)) -0.7474925E-02 Diamond 0.8912042E-03 Metallicity 0.6724369E+00 Ellipticity -0.1802821E+01 Gb(Abramov) 0.5821019E-02 Vb(Abramov) -0.4167113E-02 Hb(Abramov) 0.1653906E-02 Ex_ueg -0.1097529E-02 Ec_ueg -0.2590773E-03 Delta_ex -0.1439611E-02 Delta_ec 0.6294308E-03 Delta_et -0.3986892E-02 Pxc 0.4236298E+01 Qxc -0.2287164E+01 3,+1 80 3 -1 -1.894879 -2.740527 0.589304 Rho 0.1077624E+00 |GRAD(Rho)| 0.1659374E-15 GRAD(Rho)x 0.1060417E-15 GRAD(Rho)y -0.6204686E-16 GRAD(Rho)z 0.1115373E-15 Laplacian 0.4431487E+00 (-1/4)Del**2(Rho)) -0.1107872E+00 Diamond 0.5996464E+00 Metallicity 0.3794684E+01 Ellipticity 0.2018424E-01 Gb(Abramov) 0.1439252E+00 Vb(Abramov) -0.1770631E+00 Hb(Abramov) -0.3313798E-01 Ex_ueg -0.3787400E-01 Ec_ueg -0.5797621E-02 Delta_ex -0.4389423E-01 Delta_ec 0.1205643E-01 Delta_et -0.1518177E+00 Pxc 0.6532680E+01 Qxc -0.3640732E+01 3,-1 81 3 -1 -1.830713 -1.724042 -0.559652 Rho 0.4718550E-01 |GRAD(Rho)| 0.1145258E-15 GRAD(Rho)x -0.5660425E-16 GRAD(Rho)y -0.9268743E-16 GRAD(Rho)z 0.3634788E-16 Laplacian 0.1930215E+00 (-1/4)Del**2(Rho)) -0.4825538E-01 Diamond 0.9234842E-01 Metallicity 0.2199657E+01 Ellipticity 0.2599483E-01 Gb(Abramov) 0.4986113E-01 Vb(Abramov) -0.5146689E-01 Hb(Abramov) -0.1605754E-02 Ex_ueg -0.1259302E-01 Ec_ueg -0.2259899E-02 Delta_ex -0.1574748E-01 Delta_ec 0.5912658E-02 Delta_et -0.6144509E-01 Pxc 0.5572379E+01 Qxc -0.2663350E+01 3,-1 82 3 +3 -0.124798 -2.411522 -0.120626 Rho 0.4096440E-02 |GRAD(Rho)| 0.3176427E-17 GRAD(Rho)x -0.5330081E-18 GRAD(Rho)y 0.2859186E-17 GRAD(Rho)z 0.1276966E-17 Laplacian 0.1643436E-01 (-1/4)Del**2(Rho)) -0.4108591E-02 Diamond 0.1211513E-03 Metallicity 0.4397488E+00 Ellipticity -0.3041740E+00 Gb(Abramov) 0.3040185E-02 Vb(Abramov) -0.1971779E-02 Hb(Abramov) 0.1068406E-02 Ex_ueg -0.4840912E-03 Ec_ueg -0.1082386E-03 Delta_ex -0.5783227E-03 Delta_ec 0.1454024E-03 Delta_et -0.8967074E-03 Pxc 0.4472446E+01 Qxc -0.3977394E+01 3,+3 83 3 +1 0.389197 -1.767745 -0.706051 Rho 0.7464181E-02 |GRAD(Rho)| 0.6744215E-13 GRAD(Rho)x 0.6168305E-13 GRAD(Rho)y -0.2691823E-13 GRAD(Rho)z -0.4365061E-14 Laplacian 0.2865344E-01 (-1/4)Del**2(Rho)) -0.7163360E-02 Diamond 0.7938721E-03 Metallicity 0.6856040E+00 Ellipticity -0.1757488E+01 Gb(Abramov) 0.5594111E-02 Vb(Abramov) -0.4024863E-02 Hb(Abramov) 0.1569249E-02 Ex_ueg -0.1077361E-02 Ec_ueg -0.2544507E-03 Delta_ex -0.1351121E-02 Delta_ec 0.5601929E-03 Delta_et -0.3558732E-02 Pxc 0.4234067E+01 Qxc -0.2411885E+01 3,+1 84 3 +1 -1.697136 -0.548260 0.521024 Rho 0.9551217E-02 |GRAD(Rho)| 0.1287179E-13 GRAD(Rho)x -0.3199175E-14 GRAD(Rho)y -0.1239872E-13 GRAD(Rho)z 0.1311531E-14 Laplacian 0.3646571E-01 (-1/4)Del**2(Rho)) -0.9116428E-02 Diamond 0.1147019E-02 Metallicity 0.8125056E+00 Ellipticity -0.1544713E+01 Gb(Abramov) 0.7312144E-02 Vb(Abramov) -0.5507859E-02 Hb(Abramov) 0.1804285E-02 Ex_ueg -0.1496684E-02 Ec_ueg -0.3477386E-03 Delta_ex -0.1719186E-02 Delta_ec 0.5278464E-03 Delta_et -0.3694554E-02 Pxc 0.4304048E+01 Qxc -0.3256983E+01 3,+1 85 3 +1 -1.167663 1.288426 2.192862 Rho 0.2830915E-01 |GRAD(Rho)| 0.1135273E-14 GRAD(Rho)x -0.9932250E-15 GRAD(Rho)y 0.5392172E-15 GRAD(Rho)z -0.1076689E-15 Laplacian 0.1127818E+00 (-1/4)Del**2(Rho)) -0.2819546E-01 Diamond 0.1788895E-01 Metallicity 0.1606640E+01 Ellipticity -0.4898323E+01 Gb(Abramov) 0.2634696E-01 Vb(Abramov) -0.2449847E-01 Hb(Abramov) 0.1848492E-02 Ex_ueg -0.6372171E-02 Ec_ueg -0.1256725E-02 Delta_ex -0.7287496E-02 Delta_ec 0.1976873E-02 Delta_et -0.1797456E-01 Pxc 0.5070456E+01 Qxc -0.3686375E+01 3,+1 86 3 -1 -1.873328 2.780382 -0.531907 Rho 0.1021285E+00 |GRAD(Rho)| 0.2827868E-13 GRAD(Rho)x 0.2495250E-13 GRAD(Rho)y -0.1279387E-13 GRAD(Rho)z -0.3656946E-14 Laplacian 0.4177024E+00 (-1/4)Del**2(Rho)) -0.1044256E+00 Diamond 0.5319710E+00 Metallicity 0.3681214E+01 Ellipticity 0.8108075E-02 Gb(Abramov) 0.1336859E+00 Vb(Abramov) -0.1629462E+00 Hb(Abramov) -0.2926030E-01 Ex_ueg -0.3525718E-01 Ec_ueg -0.5454168E-02 Delta_ex -0.4089164E-01 Delta_ec 0.1156671E-01 Delta_et -0.1442463E+00 Pxc 0.6464264E+01 Qxc -0.3535287E+01 3,-1 87 3 -1 -2.040387 2.954783 0.859331 Rho 0.1074361E+00 |GRAD(Rho)| 0.2338299E-15 GRAD(Rho)x 0.6635317E-16 GRAD(Rho)y 0.1824170E-15 GRAD(Rho)z 0.1303753E-15 Laplacian 0.4237914E+00 (-1/4)Del**2(Rho)) -0.1059478E+00 Diamond 0.5681256E+00 Metallicity 0.3948010E+01 Ellipticity 0.1999691E-01 Gb(Abramov) 0.1403457E+00 Vb(Abramov) -0.1747437E+00 Hb(Abramov) -0.3439790E-01 Ex_ueg -0.3772120E-01 Ec_ueg -0.5777666E-02 Delta_ex -0.4189659E-01 Delta_ec 0.1144788E-01 Delta_et -0.1439479E+00 Pxc 0.6528795E+01 Qxc -0.3659768E+01 3,-1 88 3 +3 -2.365892 -0.021741 -0.034513 Rho 0.4939701E-02 |GRAD(Rho)| 0.1256426E-15 GRAD(Rho)x 0.9361132E-16 GRAD(Rho)y 0.6185640E-16 GRAD(Rho)z 0.5654001E-16 Laplacian 0.2014778E-01 (-1/4)Del**2(Rho)) -0.5036944E-02 Diamond 0.2069214E-03 Metallicity 0.4900275E+00 Ellipticity -0.5881643E+00 Gb(Abramov) 0.3769336E-02 Vb(Abramov) -0.2501728E-02 Hb(Abramov) 0.1267608E-02 Ex_ueg -0.6213256E-03 Ec_ueg -0.1443188E-03 Delta_ex -0.7584350E-03 Delta_ec 0.2042391E-03 Delta_et -0.1279314E-02 Pxc 0.4305230E+01 Qxc -0.3713467E+01 3,+3 89 3 -1 -1.962961 0.873523 3.040770 Rho 0.1461965E+00 |GRAD(Rho)| 0.6950509E-16 GRAD(Rho)x 0.5936007E-16 GRAD(Rho)y -0.3527723E-16 GRAD(Rho)z -0.7928228E-17 Laplacian 0.5734711E+00 (-1/4)Del**2(Rho)) -0.1433678E+00 Diamond 0.1128622E+01 Metallicity 0.4875247E+01 Ellipticity 0.4577568E-01 Gb(Abramov) 0.2120707E+00 Vb(Abramov) -0.2807737E+00 Hb(Abramov) -0.6870296E-01 Ex_ueg -0.5688107E-01 Ec_ueg -0.8200482E-02 Delta_ex -0.6121687E-01 Delta_ec 0.1467594E-01 Delta_et -0.1947311E+00 Pxc 0.6936308E+01 Qxc -0.4171239E+01 3,-1 90 3 +1 -1.710663 0.517993 -0.544340 Rho 0.9222664E-02 |GRAD(Rho)| 0.9448862E-16 GRAD(Rho)x -0.1166229E-16 GRAD(Rho)y 0.8848538E-16 GRAD(Rho)z 0.3102302E-16 Laplacian 0.3506252E-01 (-1/4)Del**2(Rho)) -0.8765631E-02 Diamond 0.1100357E-02 Metallicity 0.7971326E+00 Ellipticity -0.1600565E+01 Gb(Abramov) 0.7008316E-02 Vb(Abramov) -0.5251001E-02 Hb(Abramov) 0.1757315E-02 Ex_ueg -0.1428434E-02 Ec_ueg -0.3329252E-03 Delta_ex -0.1658477E-02 Delta_ec 0.5433708E-03 Delta_et -0.3741419E-02 Pxc 0.4290556E+01 Qxc -0.3052201E+01 3,+1 91 3 +1 -1.781573 -1.713076 1.787667 Rho 0.1234200E-01 |GRAD(Rho)| 0.3191596E-13 GRAD(Rho)x 0.1597953E-13 GRAD(Rho)y -0.2641857E-13 GRAD(Rho)z -0.8083479E-14 Laplacian 0.6174162E-01 (-1/4)Del**2(Rho)) -0.1543541E-01 Diamond 0.2547659E-02 Metallicity 0.7356605E+00 Ellipticity -0.1258735E+01 Gb(Abramov) 0.1218281E-01 Vb(Abramov) -0.8930208E-02 Hb(Abramov) 0.3252599E-02 Ex_ueg -0.2106520E-02 Ec_ueg -0.4753797E-03 Delta_ex -0.3050918E-02 Delta_ec 0.7896955E-03 Delta_et -0.5971045E-02 Pxc 0.4431237E+01 Qxc -0.3863411E+01 3,+1 92 3 +1 0.020685 -2.962361 0.066659 Rho 0.4737085E-02 |GRAD(Rho)| 0.1130827E-12 GRAD(Rho)x 0.1092999E-12 GRAD(Rho)y -0.2452155E-13 GRAD(Rho)z -0.1548951E-13 Laplacian 0.1874309E-01 (-1/4)Del**2(Rho)) -0.4685774E-02 Diamond 0.3953033E-03 Metallicity 0.4912364E+00 Ellipticity -0.2741292E+01 Gb(Abramov) 0.3507486E-02 Vb(Abramov) -0.2329199E-02 Hb(Abramov) 0.1178287E-02 Ex_ueg -0.5875795E-03 Ec_ueg -0.1356161E-03 Delta_ex -0.9111112E-03 Delta_ec 0.5702885E-03 Delta_et -0.3055380E-02 Pxc 0.4332668E+01 Qxc -0.1597632E+01 3,+1 93 3 +1 -0.359992 -1.127471 -2.756788 Rho 0.3578638E-02 |GRAD(Rho)| 0.3597564E-17 GRAD(Rho)x 0.1725589E-17 GRAD(Rho)y -0.1232638E-17 GRAD(Rho)z -0.2906099E-17 Laplacian 0.1437606E-01 (-1/4)Del**2(Rho)) -0.3594016E-02 Diamond 0.1545259E-03 Metallicity 0.4013310E+00 Ellipticity -0.1346186E+01 Gb(Abramov) 0.2636409E-02 Vb(Abramov) -0.1678802E-02 Hb(Abramov) 0.9576070E-03 Ex_ueg -0.4042736E-03 Ec_ueg -0.8626814E-04 Delta_ex -0.5850194E-03 Delta_ec 0.2988154E-03 Delta_et -0.1530913E-02 Pxc 0.4686244E+01 Qxc -0.1957795E+01 3,+1 94 3 -1 -1.742885 -0.618840 -1.846600 Rho 0.5236750E-01 |GRAD(Rho)| 0.5130235E-16 GRAD(Rho)x 0.3791828E-16 GRAD(Rho)y 0.1451476E-16 GRAD(Rho)z 0.3136012E-16 Laplacian 0.2156061E+00 (-1/4)Del**2(Rho)) -0.5390153E-01 Diamond 0.1207148E+00 Metallicity 0.2342727E+01 Ellipticity 0.1283937E-01 Gb(Abramov) 0.5698045E-01 Vb(Abramov) -0.6005937E-01 Hb(Abramov) -0.3078920E-02 Ex_ueg -0.1446996E-01 Ec_ueg -0.2546152E-02 Delta_ex -0.1813056E-01 Delta_ec 0.6734757E-02 Delta_et -0.7197820E-01 Pxc 0.5683071E+01 Qxc -0.2692088E+01 3,-1 95 3 -1 -1.784176 -0.555908 2.828936 Rho 0.1567307E+00 |GRAD(Rho)| 0.6854106E-12 GRAD(Rho)x -0.4915604E-12 GRAD(Rho)y 0.4541422E-12 GRAD(Rho)z -0.1480234E-12 Laplacian 0.6620878E+00 (-1/4)Del**2(Rho)) -0.1655220E+00 Diamond 0.1406189E+01 Metallicity 0.4741919E+01 Ellipticity 0.2176079E-01 Gb(Abramov) 0.2411633E+00 Vb(Abramov) -0.3168046E+00 Hb(Abramov) -0.7564131E-01 Ex_ueg -0.6241041E-01 Ec_ueg -0.8875756E-02 Delta_ex -0.7179888E-01 Delta_ec 0.1647843E-01 Delta_et -0.2203304E+00 Pxc 0.7031559E+01 Qxc -0.4357144E+01 3,-1 96 3 +3 0.999972 -1.136945 -1.229978 Rho 0.4600851E-02 |GRAD(Rho)| 0.4352234E-17 GRAD(Rho)x 0.6094005E-18 GRAD(Rho)y 0.1445571E-17 GRAD(Rho)z 0.4059667E-17 Laplacian 0.1783216E-01 (-1/4)Del**2(Rho)) -0.4458040E-02 Diamond 0.1445257E-03 Metallicity 0.4918199E+00 Ellipticity -0.4338988E+00 Gb(Abramov) 0.3337452E-02 Vb(Abramov) -0.2216865E-02 Hb(Abramov) 0.1120588E-02 Ex_ueg -0.5651572E-03 Ec_ueg -0.1297764E-03 Delta_ex -0.6367138E-03 Delta_ec 0.1404222E-03 Delta_et -0.9154425E-03 Pxc 0.4354852E+01 Qxc -0.4534281E+01 3,+3 97 3 +1 -1.441509 2.148420 1.054597 Rho 0.2686580E-01 |GRAD(Rho)| 0.2175791E-16 GRAD(Rho)x 0.9945394E-17 GRAD(Rho)y -0.1650202E-16 GRAD(Rho)z -0.1010836E-16 Laplacian 0.1055552E+00 (-1/4)Del**2(Rho)) -0.2638879E-01 Diamond 0.1411187E-01 Metallicity 0.1573258E+01 Ellipticity -0.2806402E+01 Gb(Abramov) 0.2451192E-01 Vb(Abramov) -0.2263505E-01 Hb(Abramov) 0.1876869E-02 Ex_ueg -0.5942712E-02 Ec_ueg -0.1183105E-02 Delta_ex -0.6580996E-02 Delta_ec 0.1591771E-02 Delta_et -0.1433465E-01 Pxc 0.5022978E+01 Qxc -0.4134385E+01 3,+1 98 3 -1 -1.766861 0.468041 -2.846721 Rho 0.1273077E+00 |GRAD(Rho)| 0.1137680E-12 GRAD(Rho)x 0.3674090E-14 GRAD(Rho)y 0.1020317E-12 GRAD(Rho)z 0.5019156E-13 Laplacian 0.5227115E+00 (-1/4)Del**2(Rho)) -0.1306779E+00 Diamond 0.8684683E+00 Metallicity 0.4247260E+01 Ellipticity 0.1500857E-01 Gb(Abramov) 0.1796224E+00 Vb(Abramov) -0.2285669E+00 Hb(Abramov) -0.4894453E-01 Ex_ueg -0.4729965E-01 Ec_ueg -0.7007124E-02 Delta_ex -0.5392311E-01 Delta_ec 0.1377142E-01 Delta_et -0.1787390E+00 Pxc 0.6750222E+01 Qxc -0.3915582E+01 3,-1 99 3 +1 -0.572413 0.513182 -1.657621 Rho 0.9571910E-02 |GRAD(Rho)| 0.8981771E-17 GRAD(Rho)x 0.3605641E-17 GRAD(Rho)y -0.1602236E-17 GRAD(Rho)z -0.8068730E-17 Laplacian 0.3706069E-01 (-1/4)Del**2(Rho)) -0.9265172E-02 Diamond 0.1187752E-02 Metallicity 0.8023503E+00 Ellipticity -0.1548270E+01 Gb(Abramov) 0.7415767E-02 Vb(Abramov) -0.5566362E-02 Hb(Abramov) 0.1849405E-02 Ex_ueg -0.1501009E-02 Ec_ueg -0.3486731E-03 Delta_ex -0.1755453E-02 Delta_ec 0.5494114E-03 Delta_et -0.3837767E-02 Pxc 0.4304916E+01 Qxc -0.3195153E+01 3,+1 100 3 -1 0.102781 -2.012202 -1.065237 Rho 0.8218692E-02 |GRAD(Rho)| 0.3105190E-16 GRAD(Rho)x -0.2008356E-16 GRAD(Rho)y 0.2350387E-16 GRAD(Rho)z 0.2905039E-17 Laplacian 0.3159887E-01 (-1/4)Del**2(Rho)) -0.7899718E-02 Diamond 0.1633141E-02 Metallicity 0.7299270E+00 Ellipticity 0.5108907E+00 Gb(Abramov) 0.6227515E-02 Vb(Abramov) -0.4555312E-02 Hb(Abramov) 0.1672203E-02 Ex_ueg -0.1224960E-02 Ec_ueg -0.2879518E-03 Delta_ex -0.1828327E-02 Delta_ec 0.1160975E-02 Delta_et -0.7253230E-02 Pxc 0.4254047E+01 Qxc -0.1574821E+01 3,-1 101 3 +1 1.965537 -1.992502 2.020313 Rho 0.1218368E-01 |GRAD(Rho)| 0.2935806E-16 GRAD(Rho)x 0.6649554E-18 GRAD(Rho)y -0.1993941E-16 GRAD(Rho)z -0.2153771E-16 Laplacian 0.5696394E-01 (-1/4)Del**2(Rho)) -0.1424099E-01 Diamond 0.1783005E-02 Metallicity 0.7803882E+00 Ellipticity -0.1081679E+01 Gb(Abramov) 0.1134624E-01 Vb(Abramov) -0.8451495E-02 Hb(Abramov) 0.2894746E-02 Ex_ueg -0.2070569E-02 Ec_ueg -0.4680550E-03 Delta_ex -0.2656205E-02 Delta_ec 0.4625231E-03 Delta_et -0.3692082E-02 Pxc 0.4423773E+01 Qxc -0.5742860E+01 3,+1 102 3 -1 -0.846984 2.009086 2.994505 Rho 0.1336198E+00 |GRAD(Rho)| 0.4171694E-15 GRAD(Rho)x 0.3313728E-15 GRAD(Rho)y 0.1604077E-15 GRAD(Rho)z -0.1961932E-15 Laplacian 0.5255762E+00 (-1/4)Del**2(Rho)) -0.1313940E+00 Diamond 0.9312517E+00 Metallicity 0.4578913E+01 Ellipticity 0.3200150E-01 Gb(Abramov) 0.1878697E+00 Vb(Abramov) -0.2443453E+00 Hb(Abramov) -0.5647563E-01 Ex_ueg -0.5045214E-01 Ec_ueg -0.7403344E-02 Delta_ex -0.5492223E-01 Delta_ec 0.1380665E-01 Delta_et -0.1808329E+00 Pxc 0.6814778E+01 Qxc -0.3977955E+01 3,-1 103 3 +1 -0.216216 2.977913 0.192103 Rho 0.5547642E-02 |GRAD(Rho)| 0.3251602E-17 GRAD(Rho)x 0.2084617E-17 GRAD(Rho)y -0.8540000E-18 GRAD(Rho)z 0.2344775E-17 Laplacian 0.2302908E-01 (-1/4)Del**2(Rho)) -0.5757271E-02 Diamond 0.5551314E-03 Metallicity 0.5202163E+00 Ellipticity -0.2081403E+01 Gb(Abramov) 0.4337352E-02 Vb(Abramov) -0.2917432E-02 Hb(Abramov) 0.1419919E-02 Ex_ueg -0.7253200E-03 Ec_ueg -0.1705557E-03 Delta_ex -0.1117860E-02 Delta_ec 0.6350083E-03 Delta_et -0.3593832E-02 Pxc 0.4252687E+01 Qxc -0.1760386E+01 3,+1 104 3 +3 1.909317 -1.935778 1.958335 Rho 0.1217014E-01 |GRAD(Rho)| 0.1342663E-15 GRAD(Rho)x -0.7576538E-16 GRAD(Rho)y 0.7556617E-16 GRAD(Rho)z -0.8109744E-16 Laplacian 0.5653730E-01 (-1/4)Del**2(Rho)) -0.1413432E-01 Diamond 0.1504954E-02 Metallicity 0.7848211E+00 Ellipticity -0.8953426E+00 Gb(Abramov) 0.1127170E-01 Vb(Abramov) -0.8409080E-02 Hb(Abramov) 0.2862622E-02 Ex_ueg -0.2067501E-02 Ec_ueg -0.4674289E-03 Delta_ex -0.2561195E-02 Delta_ec 0.3264080E-03 Delta_et -0.2766697E-02 Pxc 0.4423135E+01 Qxc -0.7846605E+01 3,+3 105 3 -1 -0.852229 2.998605 1.976131 Rho 0.1569435E+00 |GRAD(Rho)| 0.1185436E-14 GRAD(Rho)x 0.8910516E-15 GRAD(Rho)y -0.2956348E-15 GRAD(Rho)z 0.7237998E-15 Laplacian 0.6150984E+00 (-1/4)Del**2(Rho)) -0.1537746E+00 Diamond 0.1315605E+01 Metallicity 0.5115726E+01 Ellipticity 0.4719159E-01 Gb(Abramov) 0.2336279E+00 Vb(Abramov) -0.3134811E+00 Hb(Abramov) -0.7985327E-01 Ex_ueg -0.6252342E-01 Ec_ueg -0.8889468E-02 Delta_ex -0.6679207E-01 Delta_ec 0.1542230E-01 Delta_et -0.2065398E+00 Pxc 0.7033427E+01 Qxc -0.4330875E+01 3,-1 106 3 -1 -0.565460 -1.815192 2.787706 Rho 0.1235468E+00 |GRAD(Rho)| 0.7248775E-16 GRAD(Rho)x -0.6171821E-16 GRAD(Rho)y 0.8700722E-17 GRAD(Rho)z -0.3700856E-16 Laplacian 0.5140790E+00 (-1/4)Del**2(Rho)) -0.1285197E+00 Diamond 0.8301173E+00 Metallicity 0.4108050E+01 Ellipticity 0.1510023E-01 Gb(Abramov) 0.1736741E+00 Vb(Abramov) -0.2188284E+00 Hb(Abramov) -0.4515434E-01 Ex_ueg -0.4544579E-01 Ec_ueg -0.6772315E-02 Delta_ex -0.5273259E-01 Delta_ec 0.1378392E-01 Delta_et -0.1782537E+00 Pxc 0.6710525E+01 Qxc -0.3825659E+01 3,-1 107 3 -1 -0.245144 -1.310810 -3.396875 Rho 0.4541289E-02 |GRAD(Rho)| 0.1787980E-16 GRAD(Rho)x -0.1745044E-16 GRAD(Rho)y -0.2023980E-17 GRAD(Rho)z -0.3327610E-17 Laplacian 0.1758328E-01 (-1/4)Del**2(Rho)) -0.4395820E-02 Diamond 0.5581807E-03 Metallicity 0.4880659E+00 Ellipticity 0.1885762E+00 Gb(Abramov) 0.3288122E-02 Vb(Abramov) -0.2180423E-02 Hb(Abramov) 0.1107698E-02 Ex_ueg -0.5554230E-03 Ec_ueg -0.1272263E-03 Delta_ex -0.1067155E-02 Delta_ec 0.9266478E-03 Delta_et -0.4736771E-02 Pxc 0.4365630E+01 Qxc -0.1151630E+01 3,-1 108 3 -1 0.233592 -1.183053 -1.931642 Rho 0.6835201E-02 |GRAD(Rho)| 0.7747357E-17 GRAD(Rho)x -0.6908692E-17 GRAD(Rho)y -0.1255403E-18 GRAD(Rho)z 0.3503677E-17 Laplacian 0.2714799E-01 (-1/4)Del**2(Rho)) -0.6786997E-02 Diamond 0.1152664E-02 Metallicity 0.6248766E+00 Ellipticity 0.3912544E+00 Gb(Abramov) 0.5231504E-02 Vb(Abramov) -0.3676011E-02 Hb(Abramov) 0.1555493E-02 Ex_ueg -0.9580468E-03 Ec_ueg -0.2267242E-03 Delta_ex -0.1551052E-02 Delta_ec 0.1060750E-02 Delta_et -0.6246679E-02 Pxc 0.4225605E+01 Qxc -0.1462221E+01 3,-1 109 3 +1 0.507066 -0.733332 -1.750985 Rho 0.6089374E-02 |GRAD(Rho)| 0.8583575E-17 GRAD(Rho)x 0.7096569E-17 GRAD(Rho)y -0.9629739E-18 GRAD(Rho)z -0.4731718E-17 Laplacian 0.2354119E-01 (-1/4)Del**2(Rho)) -0.5885298E-02 Diamond 0.5183820E-03 Metallicity 0.5943914E+00 Ellipticity -0.1680899E+01 Gb(Abramov) 0.4506561E-02 Vb(Abramov) -0.3127823E-02 Hb(Abramov) 0.1378738E-02 Ex_ueg -0.8212624E-03 Ec_ueg -0.1940901E-03 Delta_ex -0.1075650E-02 Delta_ec 0.4898182E-03 Delta_et -0.2920940E-02 Pxc 0.4231346E+01 Qxc -0.2196020E+01 3,+1 110 3 -1 -0.566851 -0.515682 -0.533413 Rho 0.1903465E+00 |GRAD(Rho)| 0.4039485E-15 GRAD(Rho)x -0.2012279E-15 GRAD(Rho)y -0.2914335E-15 GRAD(Rho)z -0.1942890E-15 Laplacian 0.5163176E+00 (-1/4)Del**2(Rho)) -0.1290794E+00 Diamond 0.1399470E+01 Metallicity 0.8406293E+01 Ellipticity 0.2429113E-01 Gb(Abramov) 0.2668995E+00 Vb(Abramov) -0.4047196E+00 Hb(Abramov) -0.1378201E+00 Ex_ueg -0.8086831E-01 Ec_ueg -0.1107462E-01 Delta_ex -0.5889296E-01 Delta_ec 0.1240472E-01 Delta_et -0.1700789E+00 Pxc 0.7302132E+01 Qxc -0.4747625E+01 3,-1 111 3 +1 1.663671 0.473445 0.556185 Rho 0.7443445E-02 |GRAD(Rho)| 0.1378134E-16 GRAD(Rho)x 0.2110019E-17 GRAD(Rho)y 0.1303510E-16 GRAD(Rho)z -0.3944517E-17 Laplacian 0.2914935E-01 (-1/4)Del**2(Rho)) -0.7287337E-02 Diamond 0.6551767E-03 Metallicity 0.6708225E+00 Ellipticity -0.1408047E+01 Gb(Abramov) 0.5672976E-02 Vb(Abramov) -0.4058615E-02 Hb(Abramov) 0.1614361E-02 Ex_ueg -0.1073372E-02 Ec_ueg -0.2535336E-03 Delta_ex -0.1292001E-02 Delta_ec 0.4241791E-03 Delta_et -0.2781233E-02 Pxc 0.4233648E+01 Qxc -0.3045885E+01 3,+1 112 3 +3 0.033437 -0.058685 2.287898 Rho 0.4686473E-02 |GRAD(Rho)| 0.6817116E-17 GRAD(Rho)x -0.4798886E-18 GRAD(Rho)y 0.5423592E-17 GRAD(Rho)z -0.4102124E-17 Laplacian 0.1924552E-01 (-1/4)Del**2(Rho)) -0.4811380E-02 Diamond 0.1651755E-03 Metallicity 0.4699234E+00 Ellipticity -0.3586939E+00 Gb(Abramov) 0.3584417E-02 Vb(Abramov) -0.2357454E-02 Hb(Abramov) 0.1226963E-02 Ex_ueg -0.5792241E-03 Ec_ueg -0.1334455E-03 Delta_ex -0.6957958E-03 Delta_ec 0.1610121E-03 Delta_et -0.1038689E-02 Pxc 0.4340528E+01 Qxc -0.4321388E+01 3,+3 113 3 +1 0.171776 -0.177715 2.942135 Rho 0.5565256E-02 |GRAD(Rho)| 0.2050060E-14 GRAD(Rho)x 0.1435368E-14 GRAD(Rho)y -0.1436023E-14 GRAD(Rho)z 0.2833733E-15 Laplacian 0.2317603E-01 (-1/4)Del**2(Rho)) -0.5794008E-02 Diamond 0.5679129E-03 Metallicity 0.5196560E+00 Ellipticity -0.2150319E+01 Gb(Abramov) 0.4364487E-02 Vb(Abramov) -0.2934966E-02 Hb(Abramov) 0.1429521E-02 Ex_ueg -0.7283921E-03 Ec_ueg -0.1713186E-03 Delta_ex -0.1131238E-02 Delta_ec 0.6489047E-03 Delta_et -0.3671432E-02 Pxc 0.4251682E+01 Qxc -0.1743303E+01 3,+1 114 3 -1 1.665436 -1.763871 0.451239 Rho 0.4884957E-01 |GRAD(Rho)| 0.1199398E-15 GRAD(Rho)x -0.1011120E-15 GRAD(Rho)y 0.4071899E-16 GRAD(Rho)z 0.5003889E-16 Laplacian 0.1940593E+00 (-1/4)Del**2(Rho)) -0.4851484E-01 Diamond 0.9496288E-01 Metallicity 0.2317998E+01 Ellipticity 0.1116441E-01 Gb(Abramov) 0.5108611E-01 Vb(Abramov) -0.5365738E-01 Hb(Abramov) -0.2571274E-02 Ex_ueg -0.1318862E-01 Ec_ueg -0.2351382E-02 Delta_ex -0.1586482E-01 Delta_ec 0.5755672E-02 Delta_et -0.6031669E-01 Pxc 0.5608881E+01 Qxc -0.2756379E+01 3,-1 115 3 +1 1.321525 -1.107757 2.153323 Rho 0.2520195E-01 |GRAD(Rho)| 0.3597073E-16 GRAD(Rho)x -0.1249569E-16 GRAD(Rho)y 0.1213066E-16 GRAD(Rho)z -0.3147377E-16 Laplacian 0.9857742E-01 (-1/4)Del**2(Rho)) -0.2464436E-01 Diamond 0.1270222E-01 Metallicity 0.1514348E+01 Ellipticity -0.3249191E+01 Gb(Abramov) 0.2264959E-01 Vb(Abramov) -0.2065483E-01 Hb(Abramov) 0.1994762E-02 Ex_ueg -0.5457124E-02 Ec_ueg -0.1098887E-02 Delta_ex -0.6108264E-02 Delta_ec 0.1608670E-02 Delta_et -0.1424249E-01 Pxc 0.4966046E+01 Qxc -0.3797089E+01 3,+1 116 3 -1 -0.524991 0.425711 0.447086 Rho 0.1776614E+00 |GRAD(Rho)| 0.9986760E-12 GRAD(Rho)x 0.5332158E-12 GRAD(Rho)y -0.5803691E-12 GRAD(Rho)z -0.6133566E-12 Laplacian 0.4681240E+00 (-1/4)Del**2(Rho)) -0.1170310E+00 Diamond 0.1185002E+01 Metallicity 0.8264957E+01 Ellipticity 0.4914584E-02 Gb(Abramov) 0.2392300E+00 Vb(Abramov) -0.3614291E+00 Hb(Abramov) -0.1221990E+00 Ex_ueg -0.7376365E-01 Ec_ueg -0.1023717E-01 Delta_ex -0.5261106E-01 Delta_ec 0.1169546E-01 Delta_et -0.1599240E+00 Pxc 0.7205470E+01 Qxc -0.4498418E+01 3,-1 117 3 +1 0.521868 0.452785 1.647266 Rho 0.8241306E-02 |GRAD(Rho)| 0.4449615E-17 GRAD(Rho)x 0.9037180E-18 GRAD(Rho)y -0.4188412E-17 GRAD(Rho)z -0.1199819E-17 Laplacian 0.3259155E-01 (-1/4)Del**2(Rho)) -0.8147888E-02 Diamond 0.8346523E-03 Metallicity 0.7109431E+00 Ellipticity -0.1428864E+01 Gb(Abramov) 0.6397372E-02 Vb(Abramov) -0.4646857E-02 Hb(Abramov) 0.1750515E-02 Ex_ueg -0.1229456E-02 Ec_ueg -0.2889598E-03 Delta_ex -0.1478523E-02 Delta_ec 0.4685326E-03 Delta_et -0.3159303E-02 Pxc 0.4254765E+01 Qxc -0.3155645E+01 3,+1 118 3 -1 -0.601817 2.813366 -1.756176 Rho 0.1593714E+00 |GRAD(Rho)| 0.1739930E-14 GRAD(Rho)x 0.1062234E-14 GRAD(Rho)y -0.2322090E-15 GRAD(Rho)z -0.1358343E-14 Laplacian 0.6576120E+00 (-1/4)Del**2(Rho)) -0.1644030E+00 Diamond 0.1402087E+01 Metallicity 0.4909014E+01 Ellipticity 0.3305071E-01 Gb(Abramov) 0.2441115E+00 Vb(Abramov) -0.3238199E+00 Hb(Abramov) -0.7970844E-01 Ex_ueg -0.6381642E-01 Ec_ueg -0.9046096E-02 Delta_ex -0.7139907E-01 Delta_ec 0.1592213E-01 Delta_et -0.2123933E+00 Pxc 0.7054581E+01 Qxc -0.4484267E+01 3,-1 119 3 -1 -0.576623 1.801548 -2.720711 Rho 0.1342395E+00 |GRAD(Rho)| 0.2237428E-15 GRAD(Rho)x -0.3243120E-16 GRAD(Rho)y 0.2181550E-15 GRAD(Rho)z 0.3764892E-16 Laplacian 0.5685237E+00 (-1/4)Del**2(Rho)) -0.1421309E+00 Diamond 0.9923297E+00 Metallicity 0.4265778E+01 Ellipticity 0.1460159E-01 Gb(Abramov) 0.1958038E+00 Vb(Abramov) -0.2494766E+00 Hb(Abramov) -0.5367284E-01 Ex_ueg -0.5076433E-01 Ec_ueg -0.7442379E-02 Delta_ex -0.5923835E-01 Delta_ec 0.1449276E-01 Delta_et -0.1891318E+00 Pxc 0.6820981E+01 Qxc -0.4087444E+01 3,-1 120 3 -1 -0.075710 -3.233355 3.182758 Rho 0.2435300E+00 |GRAD(Rho)| 0.3797518E-15 GRAD(Rho)x -0.8389014E-16 GRAD(Rho)y -0.2629190E-15 GRAD(Rho)z 0.2608590E-15 Laplacian 0.8974604E+00 (-1/4)Del**2(Rho)) -0.2243651E+00 Diamond 0.3216442E+01 Metallicity 0.7292088E+01 Ellipticity 0.3442681E-02 Gb(Abramov) 0.4222584E+00 Vb(Abramov) -0.6201517E+00 Hb(Abramov) -0.1978933E+00 Ex_ueg -0.1123194E+00 Ec_ueg -0.1468347E-01 Delta_ex -0.1087736E+00 Delta_ec 0.1961018E-01 Delta_et -0.2711796E+00 Pxc 0.7649379E+01 Qxc -0.5546790E+01 3,-1 121 3 -1 -0.606796 -2.779620 1.824885 Rho 0.1621844E+00 |GRAD(Rho)| 0.1376013E-14 GRAD(Rho)x 0.8113356E-15 GRAD(Rho)y 0.1248120E-15 GRAD(Rho)z 0.1104341E-14 Laplacian 0.6813421E+00 (-1/4)Del**2(Rho)) -0.1703355E+00 Diamond 0.1504729E+01 Metallicity 0.4878241E+01 Ellipticity 0.2998058E-01 Gb(Abramov) 0.2520466E+00 Vb(Abramov) -0.3337578E+00 Hb(Abramov) -0.8171112E-01 Ex_ueg -0.6532268E-01 Ec_ueg -0.9228002E-02 Delta_ex -0.7448957E-01 Delta_ec 0.1676226E-01 Delta_et -0.2249678E+00 Pxc 0.7078746E+01 Qxc -0.4443885E+01 3,-1 122 3 -1 -0.542797 1.721897 1.716319 Rho 0.4716379E-01 |GRAD(Rho)| 0.2498204E-15 GRAD(Rho)x -0.1799661E-15 GRAD(Rho)y 0.7166407E-16 GRAD(Rho)z -0.1577552E-15 Laplacian 0.1897336E+00 (-1/4)Del**2(Rho)) -0.4743340E-01 Diamond 0.8785154E-01 Metallicity 0.2236060E+01 Ellipticity 0.2631449E-01 Gb(Abramov) 0.4929959E-01 Vb(Abramov) -0.5116578E-01 Hb(Abramov) -0.1866190E-02 Ex_ueg -0.1258529E-01 Ec_ueg -0.2258709E-02 Delta_ex -0.1534388E-01 Delta_ec 0.5573470E-02 Delta_et -0.5785835E-01 Pxc 0.5571897E+01 Qxc -0.2753022E+01 3,-1 123 3 -1 0.024734 2.965241 -0.044237 Rho 0.5669598E-02 |GRAD(Rho)| 0.3839650E-16 GRAD(Rho)x 0.1223474E-16 GRAD(Rho)y -0.1000952E-16 GRAD(Rho)z -0.3499160E-16 Laplacian 0.2275594E-01 (-1/4)Del**2(Rho)) -0.5688985E-02 Diamond 0.7387024E-03 Metallicity 0.5458905E+00 Ellipticity 0.2284450E+01 Gb(Abramov) 0.4310251E-02 Vb(Abramov) -0.2931516E-02 Hb(Abramov) 0.1378735E-02 Ex_ueg -0.7466575E-03 Ec_ueg -0.1758412E-03 Delta_ex -0.1246067E-02 Delta_ec 0.8712349E-03 Delta_et -0.4851755E-02 Pxc 0.4246204E+01 Qxc -0.1430231E+01 3,-1 124 3 -1 -0.093807 3.186602 -3.132916 Rho 0.2324900E+00 |GRAD(Rho)| 0.3406521E-15 GRAD(Rho)x 0.4550939E-16 GRAD(Rho)y 0.2651416E-15 GRAD(Rho)z -0.2089800E-15 Laplacian 0.8456657E+00 (-1/4)Del**2(Rho)) -0.2114164E+00 Diamond 0.2883783E+01 Metallicity 0.7162891E+01 Ellipticity 0.9995660E-03 Gb(Abramov) 0.3933364E+00 Vb(Abramov) -0.5752564E+00 Hb(Abramov) -0.1819200E+00 Ex_ueg -0.1055822E+00 Ec_ueg -0.1392152E-01 Delta_ex -0.1013590E+00 Delta_ec 0.1890837E-01 Delta_et -0.2618130E+00 Pxc 0.7584105E+01 Qxc -0.5360535E+01 3,-1 125 3 -1 0.080780 3.216477 3.166768 Rho 0.2433588E+00 |GRAD(Rho)| 0.8600489E-15 GRAD(Rho)x -0.2757126E-15 GRAD(Rho)y -0.6050932E-15 GRAD(Rho)z -0.5454621E-15 Laplacian 0.8920928E+00 (-1/4)Del**2(Rho)) -0.2230232E+00 Diamond 0.3198525E+01 Metallicity 0.7327372E+01 Ellipticity 0.5895527E-02 Gb(Abramov) 0.4210445E+00 Vb(Abramov) -0.6190657E+00 Hb(Abramov) -0.1980213E+00 Ex_ueg -0.1122142E+00 Ec_ueg -0.1467161E-01 Delta_ex -0.1081241E+00 Delta_ec 0.1953455E-01 Delta_et -0.2702986E+00 Pxc 0.7648392E+01 Qxc -0.5535018E+01 3,-1 126 3 -1 0.409951 0.428145 -0.497710 Rho 0.1820251E+00 |GRAD(Rho)| 0.1757814E-13 GRAD(Rho)x -0.9801188E-14 GRAD(Rho)y -0.1031814E-13 GRAD(Rho)z 0.1031814E-13 Laplacian 0.4852123E+00 (-1/4)Del**2(Rho)) -0.1213031E+00 Diamond 0.1265368E+01 Metallicity 0.8302970E+01 Ellipticity 0.3837989E-02 Gb(Abramov) 0.2487314E+00 Vb(Abramov) -0.3761596E+00 Hb(Abramov) -0.1274283E+00 Ex_ueg -0.7618920E-01 Ec_ueg -0.1052422E-01 Delta_ex -0.5486990E-01 Delta_ec 0.1205708E-01 Delta_et -0.1653560E+00 Pxc 0.7239416E+01 Qxc -0.4550844E+01 3,-1 127 3 +1 1.745581 1.759925 1.732435 Rho 0.1229321E-01 |GRAD(Rho)| 0.2252140E-16 GRAD(Rho)x -0.1188421E-16 GRAD(Rho)y 0.1723432E-18 GRAD(Rho)z 0.1912981E-16 Laplacian 0.6151006E-01 (-1/4)Del**2(Rho)) -0.1537751E-01 Diamond 0.2532392E-02 Metallicity 0.7335718E+00 Ellipticity -0.1261217E+01 Gb(Abramov) 0.1213176E-01 Vb(Abramov) -0.8886009E-02 Hb(Abramov) 0.3245753E-02 Ex_ueg -0.2095425E-02 Ec_ueg -0.4731216E-03 Delta_ex -0.3038540E-02 Delta_ec 0.7907533E-03 Delta_et -0.5970203E-02 Pxc 0.4428937E+01 Qxc -0.3842589E+01 3,+1 128 3 +3 1.100784 1.052070 1.068090 Rho 0.4665162E-02 |GRAD(Rho)| 0.2646788E-14 GRAD(Rho)x 0.9173262E-15 GRAD(Rho)y -0.2133001E-14 GRAD(Rho)z -0.1270554E-14 Laplacian 0.1835729E-01 (-1/4)Del**2(Rho)) -0.4589321E-02 Diamond 0.1246750E-03 Metallicity 0.4889329E+00 Ellipticity -0.2747306E+00 Gb(Abramov) 0.3433526E-02 Vb(Abramov) -0.2277730E-02 Hb(Abramov) 0.1155795E-02 Ex_ueg -0.5757147E-03 Ec_ueg -0.1325319E-03 Delta_ex -0.6304051E-03 Delta_ec 0.9556653E-04 Delta_et -0.7047520E-03 Pxc 0.4343970E+01 Qxc -0.6596505E+01 3,+3 129 3 -1 -0.004721 -3.307826 -1.207478 Rho 0.2964995E-01 |GRAD(Rho)| 0.4661514E-16 GRAD(Rho)x -0.4350302E-16 GRAD(Rho)y -0.1579642E-16 GRAD(Rho)z 0.5561618E-17 Laplacian 0.9354878E-01 (-1/4)Del**2(Rho)) -0.2338720E-01 Diamond 0.3650494E-01 Metallicity 0.2092257E+01 Ellipticity 0.5835562E-02 Gb(Abramov) 0.2374680E-01 Vb(Abramov) -0.2410641E-01 Hb(Abramov) -0.3596058E-03 Ex_ueg -0.6777722E-02 Ec_ueg -0.1325565E-02 Delta_ex -0.7910186E-02 Delta_ec 0.4835525E-02 Delta_et -0.4415239E-01 Pxc 0.5113080E+01 Qxc -0.1635849E+01 3,-1 130 3 -1 0.853573 -3.011890 1.994643 Rho 0.1580570E+00 |GRAD(Rho)| 0.3868397E-15 GRAD(Rho)x -0.3575699E-15 GRAD(Rho)y -0.1038666E-15 GRAD(Rho)z 0.1048830E-15 Laplacian 0.6182704E+00 (-1/4)Del**2(Rho)) -0.1545676E+00 Diamond 0.1333483E+01 Metallicity 0.5149805E+01 Ellipticity 0.6064037E-01 Gb(Abramov) 0.2357106E+00 Vb(Abramov) -0.3168535E+00 Hb(Abramov) -0.8114297E-01 Ex_ueg -0.6311558E-01 Ec_ueg -0.8961255E-02 Delta_ex -0.6725236E-01 Delta_ec 0.1547121E-01 Delta_et -0.2073784E+00 Pxc 0.7043163E+01 Qxc -0.4346936E+01 3,-1 131 3 +1 1.654762 -0.531340 -0.556758 Rho 0.8413321E-02 |GRAD(Rho)| 0.9730850E-17 GRAD(Rho)x -0.8446950E-17 GRAD(Rho)y 0.4157833E-17 GRAD(Rho)z -0.2459856E-17 Laplacian 0.3292867E-01 (-1/4)Del**2(Rho)) -0.8232168E-02 Diamond 0.8494722E-03 Metallicity 0.7283129E+00 Ellipticity -0.1424611E+01 Gb(Abramov) 0.6487378E-02 Vb(Abramov) -0.4742588E-02 Hb(Abramov) 0.1744790E-02 Ex_ueg -0.1263790E-02 Ec_ueg -0.2966353E-03 Delta_ex -0.1493303E-02 Delta_ec 0.4585729E-03 Delta_et -0.3120592E-02 Pxc 0.4260417E+01 Qxc -0.3256414E+01 3,+1 132 3 -1 0.483663 1.723981 -1.685243 Rho 0.4732328E-01 |GRAD(Rho)| 0.4669541E-16 GRAD(Rho)x 0.1716258E-16 GRAD(Rho)y -0.1785164E-16 GRAD(Rho)z 0.3958820E-16 Laplacian 0.1937666E+00 (-1/4)Del**2(Rho)) -0.4844166E-01 Diamond 0.9293346E-01 Metallicity 0.2201873E+01 Ellipticity 0.2122587E-01 Gb(Abramov) 0.5007150E-01 Vb(Abramov) -0.5170135E-01 Hb(Abramov) -0.1629845E-02 Ex_ueg -0.1264207E-01 Ec_ueg -0.2267458E-02 Delta_ex -0.1581329E-01 Delta_ec 0.5923806E-02 Delta_et -0.6160590E-01 Pxc 0.5575438E+01 Qxc -0.2669449E+01 3,-1 133 3 -1 0.495316 -1.775633 1.687938 Rho 0.4967877E-01 |GRAD(Rho)| 0.1955021E-15 GRAD(Rho)x -0.5712814E-16 GRAD(Rho)y -0.1500786E-15 GRAD(Rho)z 0.1115072E-15 Laplacian 0.2000777E+00 (-1/4)Del**2(Rho)) -0.5001942E-01 Diamond 0.9959152E-01 Metallicity 0.2312239E+01 Ellipticity 0.1863350E-01 Gb(Abramov) 0.5262242E-01 Vb(Abramov) -0.5522542E-01 Hb(Abramov) -0.2603000E-02 Ex_ueg -0.1348796E-01 Ec_ueg -0.2397126E-02 Delta_ex -0.1640096E-01 Delta_ec 0.5888189E-02 Delta_et -0.6196478E-01 Pxc 0.5626722E+01 Qxc -0.2785399E+01 3,-1 134 3 +1 0.323622 -1.610689 -1.647777 Rho 0.6273152E-02 |GRAD(Rho)| 0.4126287E-15 GRAD(Rho)x 0.2848521E-15 GRAD(Rho)y -0.2983937E-15 GRAD(Rho)z 0.9105431E-17 Laplacian 0.2490548E-01 (-1/4)Del**2(Rho)) -0.6226371E-02 Diamond 0.6321213E-03 Metallicity 0.5903749E+00 Ellipticity -0.1915328E+01 Gb(Abramov) 0.4763563E-02 Vb(Abramov) -0.3300755E-02 Hb(Abramov) 0.1462808E-02 Ex_ueg -0.8544752E-03 Ec_ueg -0.2021066E-03 Delta_ex -0.1187637E-02 Delta_ec 0.5932049E-03 Delta_et -0.3522944E-02 Pxc 0.4227845E+01 Qxc -0.2002069E+01 3,+1 135 3 +3 2.276379 -0.005773 0.048675 Rho 0.4412440E-02 |GRAD(Rho)| 0.1084787E-11 GRAD(Rho)x 0.1806948E-12 GRAD(Rho)y 0.1060088E-11 GRAD(Rho)z 0.1425690E-12 Laplacian 0.1798407E-01 (-1/4)Del**2(Rho)) -0.4496016E-02 Diamond 0.1404075E-03 Metallicity 0.4548378E+00 Ellipticity -0.3159613E+00 Gb(Abramov) 0.3338171E-02 Vb(Abramov) -0.2180325E-02 Hb(Abramov) 0.1157846E-02 Ex_ueg -0.5345111E-03 Ec_ueg -0.1217160E-03 Delta_ex -0.6381450E-03 Delta_ec 0.1469136E-03 Delta_et -0.9399991E-03 Pxc 0.4391463E+01 Qxc -0.4343676E+01 3,+3 136 3 -1 0.395733 -0.530299 0.416356 Rho 0.1799250E+00 |GRAD(Rho)| 0.9556362E-14 GRAD(Rho)x -0.5318662E-14 GRAD(Rho)y 0.5537237E-14 GRAD(Rho)z -0.5689893E-14 Laplacian 0.4764126E+00 (-1/4)Del**2(Rho)) -0.1191032E+00 Diamond 0.1226548E+01 Metallicity 0.8294351E+01 Ellipticity 0.4505801E-02 Gb(Abramov) 0.2440493E+00 Vb(Abramov) -0.3689955E+00 Hb(Abramov) -0.1249462E+00 Ex_ueg -0.7501942E-01 Ec_ueg -0.1038594E-01 Delta_ex -0.5372876E-01 Delta_ec 0.1189268E-01 Delta_et -0.1629417E+00 Pxc 0.7223172E+01 Qxc -0.4517801E+01 3,-1 137 3 +1 1.099289 1.322877 -2.183148 Rho 0.2607643E-01 |GRAD(Rho)| 0.8774676E-15 GRAD(Rho)x -0.4232434E-15 GRAD(Rho)y 0.6854789E-15 GRAD(Rho)z -0.3477544E-15 Laplacian 0.1044551E+00 (-1/4)Del**2(Rho)) -0.2611377E-01 Diamond 0.1536094E-01 Metallicity 0.1512738E+01 Ellipticity -0.5018212E+01 Gb(Abramov) 0.2399306E-01 Vb(Abramov) -0.2187236E-01 Hb(Abramov) 0.2120707E-02 Ex_ueg -0.5711049E-02 Ec_ueg -0.1143062E-02 Delta_ex -0.6660855E-02 Delta_ec 0.1934374E-02 Delta_et -0.1721884E-01 Pxc 0.4996272E+01 Qxc -0.3443416E+01 3,+1 138 3 +1 2.010062 1.953702 -2.011698 Rho 0.1188596E-01 |GRAD(Rho)| 0.8626473E-17 GRAD(Rho)x 0.4648350E-17 GRAD(Rho)y -0.7199375E-17 GRAD(Rho)z -0.9888747E-18 Laplacian 0.5578807E-01 (-1/4)Del**2(Rho)) -0.1394702E-01 Diamond 0.1688284E-02 Metallicity 0.7646492E+00 Ellipticity -0.1077115E+01 Gb(Abramov) 0.1107544E-01 Vb(Abramov) -0.8203864E-02 Hb(Abramov) 0.2871576E-02 Ex_ueg -0.2003383E-02 Ec_ueg -0.4543071E-03 Delta_ex -0.2583704E-02 Delta_ec 0.4534081E-03 Delta_et -0.3600964E-02 Pxc 0.4409756E+01 Qxc -0.5698408E+01 3,+1 139 3 +3 1.949471 1.895003 -1.953375 Rho 0.1187213E-01 |GRAD(Rho)| 0.6947091E-17 GRAD(Rho)x 0.6279527E-17 GRAD(Rho)y -0.1736553E-17 GRAD(Rho)z 0.2411224E-17 Laplacian 0.5533551E-01 (-1/4)Del**2(Rho)) -0.1383388E-01 Diamond 0.1417780E-02 Metallicity 0.7694083E+00 Ellipticity -0.9013153E+00 Gb(Abramov) 0.1099657E-01 Vb(Abramov) -0.8159259E-02 Hb(Abramov) 0.2837309E-02 Ex_ueg -0.2000275E-02 Ec_ueg -0.4536692E-03 Delta_ex -0.2487423E-02 Delta_ec 0.3167350E-03 Delta_et -0.2679073E-02 Pxc 0.4409106E+01 Qxc -0.7853325E+01 3,+3 140 3 -1 1.963332 -2.994004 0.819672 Rho 0.1160645E+00 |GRAD(Rho)| 0.1380927E-13 GRAD(Rho)x -0.1122125E-13 GRAD(Rho)y 0.5947710E-14 GRAD(Rho)z 0.5422563E-14 Laplacian 0.4520761E+00 (-1/4)Del**2(Rho)) -0.1130190E+00 Diamond 0.6792068E+00 Metallicity 0.4209535E+01 Ellipticity 0.1784517E-01 Gb(Abramov) 0.1546389E+00 Vb(Abramov) -0.1962588E+00 Hb(Abramov) -0.4161991E-01 Ex_ueg -0.4181361E-01 Ec_ueg -0.6308063E-02 Delta_ex -0.4571686E-01 Delta_ec 0.1234991E-01 Delta_et -0.1580409E+00 Pxc 0.6628598E+01 Qxc -0.3701796E+01 3,-1 141 3 +1 1.891692 -1.788769 -1.726351 Rho 0.1509536E-01 |GRAD(Rho)| 0.1281143E-15 GRAD(Rho)x -0.4520092E-16 GRAD(Rho)y -0.9461513E-16 GRAD(Rho)z 0.7360799E-16 Laplacian 0.7042132E-01 (-1/4)Del**2(Rho)) -0.1760533E-01 Diamond 0.4020072E-02 Metallicity 0.9022247E+00 Ellipticity -0.1465903E+01 Gb(Abramov) 0.1438421E-01 Vb(Abramov) -0.1116310E-01 Hb(Abramov) 0.3221116E-02 Ex_ueg -0.2755347E-02 Ec_ueg -0.6042828E-03 Delta_ex -0.3711924E-02 Delta_ec 0.9720054E-03 Delta_et -0.7665760E-02 Pxc 0.4559697E+01 Qxc -0.3818831E+01 3,+1 142 3 -1 1.191448 -2.330984 -1.976065 Rho 0.5021372E-01 |GRAD(Rho)| 0.1076693E-15 GRAD(Rho)x -0.4105444E-16 GRAD(Rho)y 0.7715377E-16 GRAD(Rho)z -0.6288489E-16 Laplacian 0.1284809E+00 (-1/4)Del**2(Rho)) -0.3212022E-01 Diamond 0.1040385E+00 Metallicity 0.3665603E+01 Ellipticity 0.1324508E-01 Gb(Abramov) 0.4103681E-01 Vb(Abramov) -0.4995339E-01 Hb(Abramov) -0.8916587E-02 Ex_ueg -0.1368196E-01 Ec_ueg -0.2426691E-02 Delta_ex -0.1223814E-01 Delta_ec 0.6776164E-02 Delta_et -0.7238256E-01 Pxc 0.5638113E+01 Qxc -0.1806057E+01 3,-1 143 3 -1 2.934209 -1.991213 0.823412 Rho 0.9462566E-01 |GRAD(Rho)| 0.1046385E-15 GRAD(Rho)x 0.4358493E-16 GRAD(Rho)y 0.2429629E-16 GRAD(Rho)z 0.9197423E-16 Laplacian 0.3746402E+00 (-1/4)Del**2(Rho)) -0.9366006E-01 Diamond 0.4352410E+00 Metallicity 0.3614212E+01 Ellipticity 0.5017489E-03 Gb(Abramov) 0.1188579E+00 Vb(Abramov) -0.1440558E+00 Hb(Abramov) -0.2519786E-01 Ex_ueg -0.3184664E-01 Ec_ueg -0.5000660E-02 Delta_ex -0.3603276E-01 Delta_ec 0.1055232E-01 Delta_et -0.1296035E+00 Pxc 0.6368487E+01 Qxc -0.3414677E+01 3,-1 144 3 +1 1.278030 2.138913 -1.165444 Rho 0.2839721E-01 |GRAD(Rho)| 0.6108651E-15 GRAD(Rho)x -0.4662449E-15 GRAD(Rho)y -0.7017013E-16 GRAD(Rho)z -0.3883915E-15 Laplacian 0.1165435E+00 (-1/4)Del**2(Rho)) -0.2913586E-01 Diamond 0.2004365E-01 Metallicity 0.1562853E+01 Ellipticity -0.1034335E+02 Gb(Abramov) 0.2701309E-01 Vb(Abramov) -0.2489031E-01 Hb(Abramov) 0.2122777E-02 Ex_ueg -0.6398615E-02 Ec_ueg -0.1261234E-02 Delta_ex -0.7672340E-02 Delta_ec 0.2284757E-02 Delta_et -0.2075789E-01 Pxc 0.5073298E+01 Qxc -0.3358055E+01 3,+1 145 3 -1 0.839952 2.966552 -1.959783 Rho 0.1363858E+00 |GRAD(Rho)| 0.7432116E-13 GRAD(Rho)x -0.3499702E-13 GRAD(Rho)y 0.2725503E-13 GRAD(Rho)z -0.5963226E-13 Laplacian 0.5325154E+00 (-1/4)Del**2(Rho)) -0.1331288E+00 Diamond 0.9547948E+00 Metallicity 0.4676232E+01 Ellipticity 0.5993735E-01 Gb(Abramov) 0.1925095E+00 Vb(Abramov) -0.2518901E+00 Hb(Abramov) -0.5938062E-01 Ex_ueg -0.5184941E-01 Ec_ueg -0.7577788E-02 Delta_ex -0.5578525E-01 Delta_ec 0.1367251E-01 Delta_et -0.1791631E+00 Pxc 0.6842288E+01 Qxc -0.4080104E+01 3,-1 146 3 -1 1.700427 -0.595840 1.727974 Rho 0.3655550E-01 |GRAD(Rho)| 0.1380457E-15 GRAD(Rho)x 0.7679148E-16 GRAD(Rho)y 0.5480663E-16 GRAD(Rho)z 0.1007766E-15 Laplacian 0.1515000E+00 (-1/4)Del**2(Rho)) -0.3787501E-01 Diamond 0.5068772E-01 Metallicity 0.1831421E+01 Ellipticity 0.4172937E-01 Gb(Abramov) 0.3681086E-01 Vb(Abramov) -0.3574670E-01 Hb(Abramov) 0.1064154E-02 Ex_ueg -0.8960289E-02 Ec_ueg -0.1686447E-02 Delta_ex -0.1156913E-01 Delta_ec 0.4584409E-02 Delta_et -0.4446579E-01 Pxc 0.5313116E+01 Qxc -0.2523583E+01 3,-1 147 3 +1 2.959942 -0.181204 0.237794 Rho 0.5418399E-02 |GRAD(Rho)| 0.6765032E-17 GRAD(Rho)x 0.7537166E-19 GRAD(Rho)y 0.1167666E-17 GRAD(Rho)z 0.6663073E-17 Laplacian 0.2241812E-01 (-1/4)Del**2(Rho)) -0.5604530E-02 Diamond 0.5361920E-03 Metallicity 0.5138057E+00 Ellipticity -0.2202168E+01 Gb(Abramov) 0.4216293E-02 Vb(Abramov) -0.2828056E-02 Hb(Abramov) 0.1388237E-02 Ex_ueg -0.7028776E-03 Ec_ueg -0.1649624E-03 Delta_ex -0.1093540E-02 Delta_ec 0.6370335E-03 Delta_et -0.3571650E-02 Pxc 0.4260835E+01 Qxc -0.1716614E+01 3,+1 148 3 -1 1.730061 0.533245 -1.769014 Rho 0.3772313E-01 |GRAD(Rho)| 0.3994317E-16 GRAD(Rho)x 0.3650648E-16 GRAD(Rho)y -0.1153611E-16 GRAD(Rho)z -0.1138645E-16 Laplacian 0.1557621E+00 (-1/4)Del**2(Rho)) -0.3894053E-01 Diamond 0.5463588E-01 Metallicity 0.1877143E+01 Ellipticity 0.3206816E-01 Gb(Abramov) 0.3814318E-01 Vb(Abramov) -0.3734583E-01 Hb(Abramov) 0.7973506E-03 Ex_ueg -0.9343909E-02 Ec_ueg -0.1748438E-02 Delta_ex -0.1200225E-01 Delta_ec 0.4740098E-02 Delta_et -0.4637414E-01 Pxc 0.5344146E+01 Qxc -0.2532068E+01 3,-1 149 3 -1 1.784665 -2.842732 -0.624324 Rho 0.2046915E+00 |GRAD(Rho)| 0.9816912E-13 GRAD(Rho)x 0.7326859E-13 GRAD(Rho)y 0.2569342E-13 GRAD(Rho)z 0.6007277E-13 Laplacian 0.7915421E+00 (-1/4)Del**2(Rho)) -0.1978855E+00 Diamond 0.2300652E+01 Metallicity 0.6189261E+01 Ellipticity 0.6228225E-02 Gb(Abramov) 0.3360512E+00 Vb(Abramov) -0.4742169E+00 Hb(Abramov) -0.1381657E+00 Ex_ueg -0.8909462E-01 Ec_ueg -0.1203259E-01 Delta_ex -0.9170304E-01 Delta_ec 0.1817011E-01 Delta_et -0.2490500E+00 Pxc 0.7404445E+01 Qxc -0.5046916E+01 3,-1 150 3 -1 1.814558 2.760584 0.556752 Rho 0.1404951E+00 |GRAD(Rho)| 0.3163627E-15 GRAD(Rho)x -0.9821516E-16 GRAD(Rho)y 0.1740687E-15 GRAD(Rho)z 0.2452330E-15 Laplacian 0.5915213E+00 (-1/4)Del**2(Rho)) -0.1478803E+00 Diamond 0.1109352E+01 Metallicity 0.4423283E+01 Ellipticity 0.8004477E-02 Gb(Abramov) 0.2076063E+00 Vb(Abramov) -0.2673323E+00 Hb(Abramov) -0.5972598E-01 Ex_ueg -0.5394278E-01 Ec_ueg -0.7837868E-02 Delta_ex -0.6252810E-01 Delta_ec 0.1527686E-01 Delta_et -0.2015007E+00 Pxc 0.6882328E+01 Qxc -0.4092994E+01 3,-1 151 3 -1 2.017921 2.938878 -0.848660 Rho 0.1304062E+00 |GRAD(Rho)| 0.1576649E-13 GRAD(Rho)x 0.1258634E-13 GRAD(Rho)y 0.6193857E-14 GRAD(Rho)z 0.7197381E-14 Laplacian 0.5119286E+00 (-1/4)Del**2(Rho)) -0.1279822E+00 Diamond 0.8815683E+00 Metallicity 0.4514062E+01 Ellipticity 0.2834636E-01 Gb(Abramov) 0.1816080E+00 Vb(Abramov) -0.2352338E+00 Hb(Abramov) -0.5362584E-01 Ex_ueg -0.4884079E-01 Ec_ueg -0.7201292E-02 Delta_ex -0.5319055E-01 Delta_ec 0.1354049E-01 Delta_et -0.1766774E+00 Pxc 0.6782227E+01 Qxc -0.3928259E+01 3,-1 152 3 -1 2.796478 1.780423 0.596466 Rho 0.1591102E+00 |GRAD(Rho)| 0.1006897E-15 GRAD(Rho)x 0.2732189E-16 GRAD(Rho)y 0.9549111E-16 GRAD(Rho)z -0.1653408E-16 Laplacian 0.6691300E+00 (-1/4)Del**2(Rho)) -0.1672825E+00 Diamond 0.1447701E+01 Metallicity 0.4811338E+01 Ellipticity 0.2024518E-01 Gb(Abramov) 0.2456638E+00 Vb(Abramov) -0.3240450E+00 Hb(Abramov) -0.7838127E-01 Ex_ueg -0.6367695E-01 Ec_ueg -0.9029223E-02 Delta_ex -0.7283967E-01 Delta_ec 0.1660019E-01 Delta_et -0.2224117E+00 Pxc 0.7052318E+01 Qxc -0.4387881E+01 3,-1 153 3 +1 2.129574 -1.287726 1.184542 Rho 0.2644055E-01 |GRAD(Rho)| 0.9985453E-15 GRAD(Rho)x 0.7368440E-15 GRAD(Rho)y -0.6234628E-15 GRAD(Rho)z -0.2558275E-15 Laplacian 0.1081723E+00 (-1/4)Del**2(Rho)) -0.2704307E-01 Diamond 0.1749311E-01 Metallicity 0.1494909E+01 Ellipticity -0.1600850E+02 Gb(Abramov) 0.2476653E-01 Vb(Abramov) -0.2249000E-01 Hb(Abramov) 0.2276534E-02 Ex_ueg -0.5817626E-02 Ec_ueg -0.1161514E-02 Delta_ex -0.7052166E-02 Delta_ec 0.2233435E-02 Delta_et -0.1990967E-01 Pxc 0.5008658E+01 Qxc -0.3157543E+01 3,+1 154 3 -1 1.950362 -0.871213 3.030237 Rho 0.1391067E+00 |GRAD(Rho)| 0.6206221E-13 GRAD(Rho)x -0.4941205E-13 GRAD(Rho)y -0.2853645E-13 GRAD(Rho)z -0.2440981E-13 Laplacian 0.5425920E+00 (-1/4)Del**2(Rho)) -0.1356480E+00 Diamond 0.9972047E+00 Metallicity 0.4742998E+01 Ellipticity 0.5148787E-01 Gb(Abramov) 0.1976617E+00 Vb(Abramov) -0.2596754E+00 Hb(Abramov) -0.6201371E-01 Ex_ueg -0.5323316E-01 Ec_ueg -0.7749872E-02 Delta_ex -0.5712583E-01 Delta_ec 0.1388356E-01 Delta_et -0.1825113E+00 Pxc 0.6868908E+01 Qxc -0.4114638E+01 3,-1 155 3 -1 1.931518 -0.615619 -2.833949 Rho 0.1468072E+00 |GRAD(Rho)| 0.1158430E-15 GRAD(Rho)x -0.6293794E-16 GRAD(Rho)y 0.7241115E-16 GRAD(Rho)z -0.6492338E-16 Laplacian 0.5531690E+00 (-1/4)Del**2(Rho)) -0.1382922E+00 Diamond 0.1102837E+01 Metallicity 0.5089410E+01 Ellipticity 0.1169200E+00 Gb(Abramov) 0.2094992E+00 Vb(Abramov) -0.2807061E+00 Hb(Abramov) -0.7120691E-01 Ex_ueg -0.5719807E-01 Ec_ueg -0.8239441E-02 Delta_ex -0.5919922E-01 Delta_ec 0.1430118E-01 Delta_et -0.1902275E+00 Pxc 0.6941985E+01 Qxc -0.4139463E+01 3,-1 156 3 -1 3.016170 0.844899 -2.008738 Rho 0.1223130E+00 |GRAD(Rho)| 0.2161083E-12 GRAD(Rho)x -0.6982301E-13 GRAD(Rho)y -0.1383115E-12 GRAD(Rho)z -0.1506568E-12 Laplacian 0.4860321E+00 (-1/4)Del**2(Rho)) -0.1215080E+00 Diamond 0.7659155E+00 Metallicity 0.4273030E+01 Ellipticity 0.2961065E-01 Gb(Abramov) 0.1675399E+00 Vb(Abramov) -0.2135718E+00 Hb(Abramov) -0.4603190E-01 Ex_ueg -0.4484168E-01 Ec_ueg -0.6695495E-02 Delta_ex -0.4961205E-01 Delta_ec 0.1284079E-01 Delta_et -0.1653970E+00 Pxc 0.6697292E+01 Qxc -0.3863630E+01 3,-1 157 3 -1 2.961794 0.043155 0.006221 Rho 0.5513873E-02 |GRAD(Rho)| 0.9110204E-17 GRAD(Rho)x 0.1079222E-17 GRAD(Rho)y -0.6380474E-17 GRAD(Rho)z -0.6412539E-17 Laplacian 0.2204367E-01 (-1/4)Del**2(Rho)) -0.5510917E-02 Diamond 0.6834386E-03 Metallicity 0.5379690E+00 Ellipticity 0.2793042E+01 Gb(Abramov) 0.4168062E-02 Vb(Abramov) -0.2825206E-02 Hb(Abramov) 0.1342855E-02 Ex_ueg -0.7194391E-03 Ec_ueg -0.1690934E-03 Delta_ex -0.1196167E-02 Delta_ec 0.8354358E-03 Delta_et -0.4615814E-02 Pxc 0.4254684E+01 Qxc -0.1431788E+01 3,-1 158 3 -1 2.806370 -0.534318 -1.827761 Rho 0.1065872E+00 |GRAD(Rho)| 0.1535866E-13 GRAD(Rho)x 0.1170345E-15 GRAD(Rho)y 0.1003699E-13 GRAD(Rho)z -0.1162469E-13 Laplacian 0.4299372E+00 (-1/4)Del**2(Rho)) -0.1074843E+00 Diamond 0.5717406E+00 Metallicity 0.3840457E+01 Ellipticity 0.1693414E-01 Gb(Abramov) 0.1404543E+00 Vb(Abramov) -0.1734244E+00 Hb(Abramov) -0.3297004E-01 Ex_ueg -0.3732429E-01 Ec_ueg -0.5725777E-02 Delta_ex -0.4243821E-01 Delta_ec 0.1165890E-01 Delta_et -0.1464170E+00 Pxc 0.6518642E+01 Qxc -0.3639984E+01 3,-1 159 3 -1 3.172330 -3.200697 -0.116213 Rho 0.2378917E+00 |GRAD(Rho)| 0.6258643E-16 GRAD(Rho)x -0.5160802E-16 GRAD(Rho)y 0.8565197E-17 GRAD(Rho)z 0.3435566E-16 Laplacian 0.8766397E+00 (-1/4)Del**2(Rho)) -0.2191599E+00 Diamond 0.3057682E+01 Metallicity 0.7179447E+01 Ellipticity 0.8289588E-02 Gb(Abramov) 0.4083478E+00 Vb(Abramov) -0.5975357E+00 Hb(Abramov) -0.1891879E+00 Ex_ueg -0.1088657E+00 Ec_ueg -0.1429350E-01 Delta_ex -0.1056184E+00 Delta_ec 0.1932025E-01 Delta_et -0.2671165E+00 Pxc 0.7616446E+01 Qxc -0.5466720E+01 3,-1 160 3 +1 2.963585 0.166570 -0.124707 Rho 0.5493759E-02 |GRAD(Rho)| 0.1476747E-13 GRAD(Rho)x 0.3923678E-14 GRAD(Rho)y 0.1402048E-13 GRAD(Rho)z -0.2471664E-14 Laplacian 0.2256668E-01 (-1/4)Del**2(Rho)) -0.5641670E-02 Diamond 0.5923811E-03 Metallicity 0.5223098E+00 Ellipticity -0.3231383E+01 Gb(Abramov) 0.4252230E-02 Vb(Abramov) -0.2862790E-02 Hb(Abramov) 0.1389440E-02 Ex_ueg -0.7159421E-03 Ec_ueg -0.1682228E-03 Delta_ex -0.1138681E-02 Delta_ec 0.7034100E-03 Delta_et -0.3932457E-02 Pxc 0.4255917E+01 Qxc -0.1618801E+01 3,+1 161 3 -1 3.020019 1.950633 -0.828023 Rho 0.1499281E+00 |GRAD(Rho)| 0.7763984E-15 GRAD(Rho)x -0.2568068E-15 GRAD(Rho)y 0.4608537E-15 GRAD(Rho)z 0.5696127E-15 Laplacian 0.5918966E+00 (-1/4)Del**2(Rho)) -0.1479741E+00 Diamond 0.1203158E+01 Metallicity 0.4926127E+01 Ellipticity 0.4363833E-01 Gb(Abramov) 0.2201393E+00 Vb(Abramov) -0.2923045E+00 Hb(Abramov) -0.7216518E-01 Ex_ueg -0.5882505E-01 Ec_ueg -0.8438909E-02 Delta_ex -0.6360017E-01 Delta_ec 0.1509734E-01 Delta_et -0.2011413E+00 Pxc 0.6970693E+01 Qxc -0.4212674E+01 3,-1 162 3 -1 2.965637 -0.871435 2.038449 Rho 0.1642047E+00 |GRAD(Rho)| 0.5953527E-15 GRAD(Rho)x -0.1905485E-16 GRAD(Rho)y 0.4473418E-15 GRAD(Rho)z 0.3923863E-15 Laplacian 0.6393277E+00 (-1/4)Del**2(Rho)) -0.1598319E+00 Diamond 0.1426998E+01 Metallicity 0.5307201E+01 Ellipticity 0.6736496E-01 Gb(Abramov) 0.2479313E+00 Vb(Abramov) -0.3360307E+00 Hb(Abramov) -0.8809938E-01 Ex_ueg -0.6640984E-01 Ec_ueg -0.9358934E-02 Delta_ex -0.7005831E-01 Delta_ec 0.1558279E-01 Delta_et -0.2091964E+00 Pxc 0.7095876E+01 Qxc -0.4495876E+01 3,-1 163 3 -1 3.165889 0.019919 3.246158 Rho 0.2333170E+00 |GRAD(Rho)| 0.8436581E-15 GRAD(Rho)x -0.4519497E-15 GRAD(Rho)y -0.2027187E-15 GRAD(Rho)z -0.6829389E-15 Laplacian 0.8317339E+00 (-1/4)Del**2(Rho)) -0.2079335E+00 Diamond 0.2860544E+01 Metallicity 0.7326098E+01 Ellipticity 0.5463796E-02 Gb(Abramov) 0.3925125E+00 Vb(Abramov) -0.5770915E+00 Hb(Abramov) -0.1845790E+00 Ex_ueg -0.1060833E+00 Ec_ueg -0.1397836E-01 Delta_ex -0.9984832E-01 Delta_ec 0.1869726E-01 Delta_et -0.2594378E+00 Pxc 0.7589107E+01 Qxc -0.5340265E+01 3,-1 164 3 -1 3.260620 -0.001945 -3.237670 Rho 0.2321227E+00 |GRAD(Rho)| 0.2461341E-12 GRAD(Rho)x -0.1811737E-12 GRAD(Rho)y 0.3836588E-13 GRAD(Rho)z 0.1621301E-12 Laplacian 0.8293978E+00 (-1/4)Del**2(Rho)) -0.2073495E+00 Diamond 0.2832856E+01 Metallicity 0.7284161E+01 Ellipticity 0.1720022E-02 Gb(Abramov) 0.3899608E+00 Vb(Abramov) -0.5725721E+00 Hb(Abramov) -0.1826113E+00 Ex_ueg -0.1053598E+00 Ec_ueg -0.1389628E-01 Delta_ex -0.9942352E-01 Delta_ec 0.1865180E-01 Delta_et -0.2586586E+00 Pxc 0.7581876E+01 Qxc -0.5330506E+01 3,-1 165 3 -1 1.722985 1.687986 -0.515675 Rho 0.4472793E-01 |GRAD(Rho)| 0.2001426E-12 GRAD(Rho)x 0.1385626E-12 GRAD(Rho)y 0.1269337E-12 GRAD(Rho)z 0.6888632E-13 Laplacian 0.1776167E+00 (-1/4)Del**2(Rho)) -0.4440418E-01 Diamond 0.7638715E-01 Metallicity 0.2186556E+01 Ellipticity 0.1262330E-01 Gb(Abramov) 0.4578483E-01 Vb(Abramov) -0.4716547E-01 Hb(Abramov) -0.1380646E-02 Ex_ueg -0.1172619E-01 Ec_ueg -0.2125595E-02 Delta_ex -0.1416745E-01 Delta_ec 0.5207728E-02 Delta_et -0.5330917E-01 Pxc 0.5516660E+01 Qxc -0.2720467E+01 3,-1 166 3 -1 -3.206990 0.067962 -3.206798 Rho 0.2245039E+00 |GRAD(Rho)| 0.5287197E-15 GRAD(Rho)x 0.3583288E-15 GRAD(Rho)y -0.6982262E-16 GRAD(Rho)z 0.3824523E-15 Laplacian 0.8284558E+00 (-1/4)Del**2(Rho)) -0.2071140E+00 Diamond 0.2703673E+01 Metallicity 0.6897903E+01 Ellipticity 0.2019126E-01 Gb(Abramov) 0.3761846E+00 Vb(Abramov) -0.5452553E+00 Hb(Abramov) -0.1690707E+00 Ex_ueg -0.1007744E+00 Ec_ueg -0.1337450E-01 Delta_ex -0.9836980E-01 Delta_ec 0.1865913E-01 Delta_et -0.2577144E+00 Pxc 0.7534820E+01 Qxc -0.5271940E+01 3,-1 167 3 -1 -2.744793 0.496226 -1.863999 Rho 0.5752535E-01 |GRAD(Rho)| 0.6553109E-13 GRAD(Rho)x 0.2640635E-13 GRAD(Rho)y 0.1264910E-13 GRAD(Rho)z 0.5862618E-13 Laplacian 0.2418313E+00 (-1/4)Del**2(Rho)) -0.6045783E-01 Diamond 0.1537773E+00 Metallicity 0.2442677E+01 Ellipticity 0.9144205E-02 Gb(Abramov) 0.6491839E-01 Vb(Abramov) -0.6937894E-01 Hb(Abramov) -0.4460552E-02 Ex_ueg -0.1640077E-01 Ec_ueg -0.2834885E-02 Delta_ex -0.2081937E-01 Delta_ec 0.7545496E-02 Delta_et -0.8264166E-01 Pxc 0.5785337E+01 Qxc -0.2759179E+01 3,-1 168 3 -1 -2.123664 -0.902661 -3.313624 Rho 0.2260424E+00 |GRAD(Rho)| 0.3457098E-15 GRAD(Rho)x -0.2688279E-15 GRAD(Rho)y -0.2167862E-15 GRAD(Rho)z 0.1582935E-16 Laplacian 0.8499005E+00 (-1/4)Del**2(Rho)) -0.2124751E+00 Diamond 0.2777983E+01 Metallicity 0.6800827E+01 Ellipticity 0.1535855E-01 Gb(Abramov) 0.3824845E+00 Vb(Abramov) -0.5524939E+00 Hb(Abramov) -0.1700094E+00 Ex_ueg -0.1016963E+00 Ec_ueg -0.1347961E-01 Delta_ex -0.1009880E+00 Delta_ec 0.1891348E-01 Delta_et -0.2605364E+00 Pxc 0.7544455E+01 Qxc -0.5339470E+01 3,-1 169 3 -1 0.562659 2.794295 1.767630 Rho 0.1413809E+00 |GRAD(Rho)| 0.1283943E-13 GRAD(Rho)x -0.8998526E-14 GRAD(Rho)y -0.1638175E-14 GRAD(Rho)z 0.9010764E-14 Laplacian 0.5911747E+00 (-1/4)Del**2(Rho)) -0.1477937E+00 Diamond 0.1119467E+01 Metallicity 0.4472480E+01 Ellipticity 0.1162553E-01 Gb(Abramov) 0.2086965E+00 Vb(Abramov) -0.2695993E+00 Hb(Abramov) -0.6090280E-01 Ex_ueg -0.5439670E-01 Ec_ueg -0.7894068E-02 Delta_ex -0.6261271E-01 Delta_ec 0.1529001E-01 Delta_et -0.2019603E+00 Pxc 0.6890832E+01 Qxc -0.4095007E+01 3,-1 170 3 -1 0.549990 1.812488 2.737320 Rho 0.1464687E+00 |GRAD(Rho)| 0.5773624E-15 GRAD(Rho)x 0.2340386E-15 GRAD(Rho)y 0.5277896E-15 GRAD(Rho)z -0.3367803E-17 Laplacian 0.6145412E+00 (-1/4)Del**2(Rho)) -0.1536353E+00 Diamond 0.1204820E+01 Metallicity 0.4563560E+01 Ellipticity 0.1109156E-01 Gb(Abramov) 0.2192775E+00 Vb(Abramov) -0.2849197E+00 Hb(Abramov) -0.6564222E-01 Ex_ueg -0.5702234E-01 Ec_ueg -0.8217847E-02 Delta_ex -0.6555548E-01 Delta_ec 0.1558509E-01 Delta_et -0.2065502E+00 Pxc 0.6938841E+01 Qxc -0.4206295E+01 3,-1 171 3 -1 0.826364 1.977867 -2.948375 Rho 0.9375742E-01 |GRAD(Rho)| 0.2761115E-15 GRAD(Rho)x -0.2528800E-15 GRAD(Rho)y 0.3002224E-16 GRAD(Rho)z 0.1067143E-15 Laplacian 0.3614463E+00 (-1/4)Del**2(Rho)) -0.9036158E-01 Diamond 0.4124107E+00 Metallicity 0.3689029E+01 Ellipticity 0.2432981E-01 Gb(Abramov) 0.1157988E+00 Vb(Abramov) -0.1412360E+00 Hb(Abramov) -0.2543722E-01 Ex_ueg -0.3145762E-01 Ec_ueg -0.4948476E-02 Delta_ex -0.3463662E-01 Delta_ec 0.1010610E-01 Delta_et -0.1237842E+00 Pxc 0.6357032E+01 Qxc -0.3427298E+01 3,-1 172 3 -1 0.810903 -1.998943 3.000592 Rho 0.1321923E+00 |GRAD(Rho)| 0.2687153E-15 GRAD(Rho)x -0.2511419E-15 GRAD(Rho)y -0.8353778E-16 GRAD(Rho)z 0.4644451E-16 Laplacian 0.5211505E+00 (-1/4)Del**2(Rho)) -0.1302876E+00 Diamond 0.9109551E+00 Metallicity 0.4535865E+01 Ellipticity 0.2948363E-01 Gb(Abramov) 0.1853529E+00 Vb(Abramov) -0.2404182E+00 Hb(Abramov) -0.5506530E-01 Ex_ueg -0.4973474E-01 Ec_ueg -0.7313505E-02 Delta_ex -0.5431143E-01 Delta_ec 0.1371272E-01 Delta_et -0.1792692E+00 Pxc 0.6800397E+01 Qxc -0.3960660E+01 3,-1 173 3 -1 1.792358 0.529869 2.769358 Rho 0.1198379E+00 |GRAD(Rho)| 0.2604346E-14 GRAD(Rho)x 0.2048559E-14 GRAD(Rho)y -0.1604843E-14 GRAD(Rho)z -0.1024707E-15 Laplacian 0.5021389E+00 (-1/4)Del**2(Rho)) -0.1255347E+00 Diamond 0.7670782E+00 Metallicity 0.3997419E+01 Ellipticity 0.8730006E-02 Gb(Abramov) 0.1673256E+00 Vb(Abramov) -0.2091165E+00 Hb(Abramov) -0.4179091E-01 Ex_ueg -0.4363591E-01 Ec_ueg -0.6541702E-02 Delta_ex -0.5093881E-01 Delta_ec 0.1321011E-01 Delta_et -0.1693606E+00 Pxc 0.6670421E+01 Qxc -0.3856048E+01 3,-1 174 3 -1 2.017422 0.839898 -3.033018 Rho 0.1610638E+00 |GRAD(Rho)| 0.2420885E-15 GRAD(Rho)x 0.9920450E-16 GRAD(Rho)y -0.1956714E-15 GRAD(Rho)z 0.1023622E-15 Laplacian 0.6262539E+00 (-1/4)Del**2(Rho)) -0.1565635E+00 Diamond 0.1370135E+01 Metallicity 0.5246372E+01 Ellipticity 0.7497780E-01 Gb(Abramov) 0.2412740E+00 Vb(Abramov) -0.3259846E+00 Hb(Abramov) -0.8471056E-01 Ex_ueg -0.6472154E-01 Ec_ueg -0.9155475E-02 Delta_ex -0.6833565E-01 Delta_ec 0.1541064E-01 Delta_et -0.2065903E+00 Pxc 0.7069162E+01 Qxc -0.4434317E+01 3,-1 175 3 -1 2.769586 -1.797403 -0.600860 Rho 0.1587947E+00 |GRAD(Rho)| 0.2577869E-11 GRAD(Rho)x 0.7307418E-12 GRAD(Rho)y 0.1962607E-11 GRAD(Rho)z -0.1503196E-11 Laplacian 0.6498775E+00 (-1/4)Del**2(Rho)) -0.1624694E+00 Diamond 0.1404378E+01 Metallicity 0.4937513E+01 Ellipticity 0.1750111E-01 Gb(Abramov) 0.2420120E+00 Vb(Abramov) -0.3215546E+00 Hb(Abramov) -0.7954263E-01 Ex_ueg -0.6350866E-01 Ec_ueg -0.9008856E-02 Delta_ex -0.7072456E-01 Delta_ec 0.1615835E-01 Delta_et -0.2165073E+00 Pxc 0.7049581E+01 Qxc -0.4376966E+01 3,-1 176 3 -1 2.775778 0.532363 1.848724 Rho 0.1144880E+00 |GRAD(Rho)| 0.1709763E-15 GRAD(Rho)x 0.2475369E-16 GRAD(Rho)y 0.1688984E-15 GRAD(Rho)z 0.9669728E-17 Laplacian 0.4770420E+00 (-1/4)Del**2(Rho)) -0.1192605E+00 Diamond 0.6946701E+00 Metallicity 0.3899328E+01 Ellipticity 0.1040233E-01 Gb(Abramov) 0.1570130E+00 Vb(Abramov) -0.1947654E+00 Hb(Abramov) -0.3775247E-01 Ex_ueg -0.4105805E-01 Ec_ueg -0.6210748E-02 Delta_ex -0.4793798E-01 Delta_ec 0.1280901E-01 Delta_et -0.1631100E+00 Pxc 0.6610807E+01 Qxc -0.3742519E+01 3,-1 177 3 -1 3.221852 3.157305 0.081812 Rho 0.2443387E+00 |GRAD(Rho)| 0.4939018E-15 GRAD(Rho)x -0.1992764E-15 GRAD(Rho)y -0.3922643E-15 GRAD(Rho)z -0.2244027E-15 Laplacian 0.8926178E+00 (-1/4)Del**2(Rho)) -0.2231545E+00 Diamond 0.3219751E+01 Metallicity 0.7372274E+01 Ellipticity 0.1781265E-02 Gb(Abramov) 0.4229623E+00 Vb(Abramov) -0.6227701E+00 Hb(Abramov) -0.1998078E+00 Ex_ueg -0.1128171E+00 Ec_ueg -0.1473955E-01 Delta_ex -0.1083215E+00 Delta_ec 0.1955801E-01 Delta_et -0.2708141E+00 Pxc 0.7654036E+01 Qxc -0.5538474E+01 3,-1 178 3 -1 -3.062930 -1.999861 -0.876682 Rho 0.1481140E+00 |GRAD(Rho)| 0.1288753E-11 GRAD(Rho)x -0.3518372E-12 GRAD(Rho)y -0.8536283E-12 GRAD(Rho)z 0.8991186E-12 Laplacian 0.5713668E+00 (-1/4)Del**2(Rho)) -0.1428417E+00 Diamond 0.1135301E+01 Metallicity 0.5000632E+01 Ellipticity 0.7910008E-01 Gb(Abramov) 0.2142776E+00 Vb(Abramov) -0.2857135E+00 Hb(Abramov) -0.7143589E-01 Ex_ueg -0.5787794E-01 Ec_ueg -0.8322891E-02 Delta_ex -0.6111724E-01 Delta_ec 0.1445002E-01 Delta_et -0.1918081E+00 Pxc 0.6954068E+01 Qxc -0.4229561E+01 3,-1 179 3 -1 -0.847051 -3.475147 -1.244025 Rho 0.3169413E+00 |GRAD(Rho)| 0.1879874E-14 GRAD(Rho)x 0.1362863E-15 GRAD(Rho)y 0.1836704E-14 GRAD(Rho)z 0.3766568E-15 Laplacian -0.1643952E+01 (-1/4)Del**2(Rho)) 0.4109881E+00 Diamond 0.5633074E+01 Metallicity -0.6175734E+01 Ellipticity 0.3058373E-02 Gb(Abramov) 0.1490335E+00 Vb(Abramov) -0.7090551E+00 Hb(Abramov) -0.5600216E+00 Ex_ueg -0.1595965E+00 Ec_ueg -0.1992033E-01 Delta_ex 0.1632635E+00 Delta_ec 0.5705211E-01 Delta_et -0.1350053E+01 Pxc 0.8011743E+01 Qxc 0.2861656E+01 3,-1 180 3 -1 -3.159421 -0.061048 3.267383 Rho 0.2442351E+00 |GRAD(Rho)| 0.3245726E-15 GRAD(Rho)x 0.3181049E-15 GRAD(Rho)y 0.3878733E-16 GRAD(Rho)z 0.5149960E-16 Laplacian 0.9000606E+00 (-1/4)Del**2(Rho)) -0.2250151E+00 Diamond 0.3236905E+01 Metallicity 0.7306145E+01 Ellipticity 0.1455723E-02 Gb(Abramov) 0.4240090E+00 Vb(Abramov) -0.6230028E+00 Hb(Abramov) -0.1989938E+00 Ex_ueg -0.1127533E+00 Ec_ueg -0.1473237E-01 Delta_ex -0.1091708E+00 Delta_ec 0.1964899E-01 Delta_et -0.2717329E+00 Pxc 0.7653440E+01 Qxc -0.5556051E+01 3,-1 181 3 -1 1.203084 -1.815559 -2.541902 Rho 0.3026216E+00 |GRAD(Rho)| 0.4590741E-13 GRAD(Rho)x -0.2675673E-13 GRAD(Rho)y 0.3139705E-13 GRAD(Rho)z -0.2014430E-13 Laplacian -0.1492270E+01 (-1/4)Del**2(Rho)) 0.3730675E+00 Diamond 0.5041817E+01 Metallicity -0.6298915E+01 Ellipticity 0.4951218E-02 Gb(Abramov) 0.1429417E+00 Vb(Abramov) -0.6589509E+00 Hb(Abramov) -0.5160092E+00 Ex_ueg -0.1500554E+00 Ec_ueg -0.1887546E-01 Delta_ex 0.1447309E+00 Delta_ec 0.5322335E-01 Delta_et -0.1230658E+01 Pxc 0.7949761E+01 Qxc 0.2719312E+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 79 133 106 121 172 130 120 136 110 126 116 132 119 118 171 145 124 122 170 169 102 105 125 114 175 149 143 140 159 165 152 150 161 151 177 59 75 86 65 87 60 81 68 80 178 77 54 94 167 98 66 168 166 71 70 95 62 89 180 146 176 173 162 154 163 148 158 155 156 174 164 108 100 157 107 181 123 142 129 179 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 18 21 21 25 28 28 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 20 36 52 27 52 53 53 2.372508 1.990068 1.881749 1.973954 1.903977 1.737835 1.713332 1.688115 1.708202 1.718484 2.375236 1.930862 1.865813 2.092833 1.938641 1.728702 2.392217 1.923221 1.935653 1.969632 1.907965 1.738243 2.380484 1.893158 1.804032 2.109550 2.026822 1.746980 2.415112 1.889454 1.938392 1.923982 1.980880 1.736751 2.427800 1.799763 2.043669 1.938142 2.036684 1.733281 2.373585 1.943326 2.022799 1.905846 1.938823 1.726065 2.322525 2.278955 1.952372 2.012682 1.739136 1.742346 2.370394 1.948573 1.894996 1.971211 1.934416 1.736780 2.480386 1.996170 1.978864 1.864533 1.929399 1.727618 2.467017 2.029320 1.913204 1.980398 1.871830 1.729585 3.174187 3.078087 3.250661 3.256045 1.012000 3.231247 1.659735 1.856092 0.999514 2.374219 1.990398 1.882298 1.974568 1.904561 1.737842 1.713346 1.688160 1.708215 1.718496 2.376903 1.931379 1.866427 2.093564 1.939460 1.728724 2.394134 1.923708 1.936060 1.970214 1.908546 1.738254 2.382053 1.893630 1.804137 2.110111 2.027379 1.746998 2.417006 1.889913 1.938815 1.924638 1.981502 1.736757 2.429124 1.800157 2.044082 1.938804 2.037487 1.733311 2.375820 1.944061 2.023353 1.906644 1.940300 1.726092 2.324964 2.279375 1.952934 2.013453 1.739159 1.742381 2.371977 1.949050 1.895468 1.971851 1.935031 1.736786 2.481946 1.996800 1.979540 1.865173 1.930112 1.727636 2.468488 2.029964 1.914819 1.981249 1.872469 1.729601 3.208629 3.082846 3.256464 3.261499 1.012092 3.238746 1.662896 1.856613 0.999648 30 27 27 26 26 23 23 22 22 22 31 27 28 25 27 25 31 26 25 28 28 28 30 25 25 29 28 24 30 28 28 27 27 22 27 23 24 24 25 23 27 24 24 24 25 22 30 27 27 25 22 23 27 25 27 25 28 23 31 24 24 25 26 25 31 25 28 27 23 23 35 35 35 35 19 35 24 26 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 W As Mo W W W Mo Mo Mo W Mo 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 2.4690 2.4452 2.3543 2.4804 2.4082 2.4641 2.3464 2.3254 2.2516 2.4696 2.3376 2.3130 -1.1245 -1.0379 -1.1201 -1.1269 -0.9217 -0.9475 -0.8495 -0.9291 -0.7338 -0.9338 -0.9268 -0.9500 -0.8980 -0.9342 -0.9586 -0.9012 -0.9019 -0.9151 -0.9312 -0.9329 -0.9282 -0.8908 -0.9633 -0.7043 -0.7471 -0.9403 -0.9690 -0.9269 -0.7845 -0.7139 -0.7056 -0.7881 -0.8111 -0.7817 -0.7246 -0.6967 -0.7323 -0.7811 -0.7124 0.2934 0.3183 2.0890 0.8277 1.9291 2.0863 2.1126 2.0911 1.9431 1.9708 1.9789 2.0904 1.9624 1.9529 1.9358 1.9498 1.9379 1.9332 1.9370 1.9353 1.9609 1.9360 1.8810 1.9355 1.9406 1.9339 1.9444 1.9354 1.9334 1.9590 1.9515 1.9474 1.9459 1.9465 1.9458 1.9521 1.9446 1.9754 1.8818 1.9453 1.9445 1.9479 1.9667 1.9760 1.9779 1.9661 1.9623 1.9676 1.9751 1.9785 1.9722 1.9673 1.9775 0.5392 0.5405 6.0925 1.1736 6.0718 6.0893 6.1060 6.0957 6.0597 6.0818 6.0875 6.0936 6.0674 6.0883 5.1513 5.0511 5.1451 5.1566 4.9572 4.9840 4.8601 4.9645 4.8226 4.9715 4.9609 4.9858 4.9265 4.9698 4.9950 4.9090 4.9218 4.9398 4.9553 4.9565 4.9525 4.9114 4.9862 4.6966 4.8360 4.9665 4.9930 4.9497 4.7820 4.7046 4.6941 4.7863 4.8145 4.7781 4.7167 4.6844 4.7286 4.7779 4.7012 0.1674 0.1413 3.3202 10.5534 3.6447 3.3147 3.3445 3.3198 3.6508 3.6220 3.6821 3.3171 3.6326 3.6458 0.0374 0.0369 0.0372 0.0371 0.0275 0.0282 0.0285 0.0285 0.0302 0.0268 0.0253 0.0304 0.0271 0.0290 0.0303 0.0332 0.0286 0.0278 0.0300 0.0299 0.0299 0.0273 0.0324 0.0322 0.0293 0.0285 0.0315 0.0293 0.0358 0.0333 0.0336 0.0357 0.0342 0.0360 0.0327 0.0339 0.0315 0.0359 0.0337 0.0000 0.0000 14.0294 0.0000 0.0000 14.0294 14.0287 14.0294 0.0000 0.0000 0.0000 14.0294 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 W As Mo W W W Mo Mo Mo W Mo 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 2.510837 2.314794 3.171995 2.512554 2.480643 2.513353 3.159966 3.186234 3.152669 2.512523 3.174292 3.167368 -1.127888 -1.122474 -1.170658 -1.138057 -1.072154 -1.058280 -1.123618 -1.055712 -0.739155 -1.071320 -1.192433 -0.953597 -1.172764 -1.048417 -0.958454 -0.767078 -1.066163 -1.155590 -1.044069 -1.058805 -1.059318 -1.135785 -0.940320 -0.972702 -0.704580 -1.040503 -0.943804 -1.051098 -0.816502 -0.989450 -0.973133 -0.821433 -0.852761 -0.812502 -0.997009 -0.963342 -1.001285 -0.812441 -0.983368 0.044823 0.065969 1.945701 1.698616 2.380020 1.945470 1.919430 1.952046 2.366039 2.355560 2.362573 1.945928 2.364148 2.340624 -0.790503 -0.839028 -0.853864 -0.806258 -0.807349 -0.830657 -0.900512 -0.816761 -0.812746 -0.820175 -0.909898 -0.722452 -0.920141 -0.803976 -0.714279 -0.643140 -0.866981 -0.922350 -0.843108 -0.856363 -0.859194 -0.914878 -0.769322 -0.752055 -0.835913 -0.864540 -0.774814 -0.850492 -0.706716 -0.744720 -0.736187 -0.714820 -0.744495 -0.699327 -0.764718 -0.717965 -0.781010 -0.702706 -0.756497 0.285828 0.308928 2.044146 1.672534 2.462746 2.045664 2.007339 2.051299 2.442330 2.494075 2.445655 2.045883 2.450222 2.447270 -0.825227 -0.885226 -0.872249 -0.845122 -0.898267 -0.916977 -0.948518 -0.892594 -0.883204 -0.905369 -1.010474 -0.793341 -0.984889 -0.926475 -0.796233 -0.764908 -0.892151 -0.970068 -0.888021 -0.897492 -0.893543 -0.961771 -0.804479 -0.736299 -0.901476 -0.899797 -0.823591 -0.897106 -0.670449 -0.726924 -0.695266 -0.680213 -0.711948 -0.659380 -0.727793 -0.703359 -0.769463 -0.665354 -0.721774 0.393097 0.444531 -0.08023961 -0.95593941 -2.27011633 2.46448507 -11.82061122 5.92877740 -2.24149292 6.51716190 8.06743765 5.30344931 -353.1130 408.6330 -106.3911 -364.9215 -29.4495 -445.2420 Jun10-2024 16:36:35 Nodes: 1 Procs: 1 Jun10-2024 16:36:36 Nodes: 1 Procs: 1 0 Jun10-2024 16:36:39 Nodes: 1 Procs: 1 Jun10-2024 16:36:40 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:36:43 Nodes: 1 Procs: 1 Jun10-2024 16:36:44 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:36:47 Nodes: 1 Procs: 1 Jun10-2024 16:36:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 16:36:51 Nodes: 1 Procs: 1 Jun10-2024 16:36:53 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 16:36:58 Nodes: 1 Procs: 5 *** (NO TITLE) *** -5 -15.78719331 -16.18666997 -15.95425957 -16.12446958 -16.27222885 -16.30584639 -16.33653736 -16.33923671 -16.34078280 -16.34288175 -16.34627587 -16.34965840 -16.35258509 -16.35539321 -16.35507707 -16.35824128 -16.35908260 -16.36030518 -16.36119272 -16.36133614 -16.36147755 -16.36153131 -16.36162274 -16.36169571 -16.36175279 -16.36185029 -16.36194058 -16.36201065 -16.36210967 -16.36215025 -16.36215940 -16.36225647 -16.36227525 -16.36231990 -16.36233211 -16.36234439 GEOMETRY CONVERGED