ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:40:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.53 0.04 1.78 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 Jun20-2024 03:40:27 Nodes: 1 Procs: 1 Jun20-2024 03:40:28 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:40:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.66 1 2 3 1 2 3 1 2 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 Jun20-2024 03:40:27 Nodes: 1 Procs: 1 Jun20-2024 03:40:28 Nodes: 1 Procs: 1 0 Jun20-2024 03:40:31 Nodes: 1 Procs: 1 Jun20-2024 03:40:33 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:40:35 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.40 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 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 03:40:27 Nodes: 1 Procs: 1 Jun20-2024 03:40:28 Nodes: 1 Procs: 1 0 Jun20-2024 03:40:31 Nodes: 1 Procs: 1 Jun20-2024 03:40:33 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 03:40:35 Nodes: 1 Procs: 1 Jun20-2024 03:40:37 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:40:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.79 0.06 2.35 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 Jun20-2024 03:40:27 Nodes: 1 Procs: 1 Jun20-2024 03:40:28 Nodes: 1 Procs: 1 0 Jun20-2024 03:40:31 Nodes: 1 Procs: 1 Jun20-2024 03:40:33 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 03:40:35 Nodes: 1 Procs: 1 Jun20-2024 03:40:37 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 03:40:41 Nodes: 1 Procs: 1 Jun20-2024 03:40:43 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:40:46 Hydrogen (TZP) c11-27 c11-27 c11-27 c11-27 c11-27 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.53 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 Jun20-2024 03:40:27 Nodes: 1 Procs: 1 Jun20-2024 03:40:28 Nodes: 1 Procs: 1 0 Jun20-2024 03:40:31 Nodes: 1 Procs: 1 Jun20-2024 03:40:33 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 03:40:35 Nodes: 1 Procs: 1 Jun20-2024 03:40:37 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 03:40:41 Nodes: 1 Procs: 1 Jun20-2024 03:40:43 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 03:40:46 Nodes: 1 Procs: 1 Jun20-2024 03:40:48 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:40:52 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2211.002499999999 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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.Ta ADF 2019.304 Jun20-2024 03:40:37 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun20-2024 03:40:48 1 1 Oxygen TZP 1s t21.W ADF 2019.304 Jun20-2024 03:40:43 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun20-2024 03:40:33 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun20-2024 03:40:28 1 1 Hydrogen TZP 1 1 -13.28451137 0.25864756 0.00100000 F 0.09505362 0.00066667 F 0.25864756 0.09505362 0.16233748 0.01000000 F 0.04580366 0.00666667 F Cartesian 2211.002499999999 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219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -5.745 -5.699 -5.671 -5.665 -5.631 -5.591 -5.527 -5.464 -5.441 -4.773 -2.099 -2.005 -1.856 -1.696 -1.408 -1.335 -1.300 -1.121 -0.994 -0.892 A A A A A A A A A A A A A A A A A A A A 0.00000000048250 0.00036071882262 0.00028666105057 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 73 73 73 73 73 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 74 74 74 74 33 1 0.366886 -2.382390 2.902157 -0.184561 2.066690 -2.686044 -2.421598 2.855982 0.410920 -2.656236 0.044707 2.444338 2.774539 -0.090104 2.406250 3.492904 -3.884724 -0.285020 3.553689 4.065283 0.272227 -3.601094 4.155027 0.028069 0.924716 -1.019500 0.995402 -1.321037 -1.007122 -0.793088 0.869940 0.880909 -0.993335 -0.941343 1.016998 1.089252 -3.287868 -1.162829 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3,-3 4 3 -3 -2.656236 0.044707 2.444338 Rho 0.3882647E+07 3,-3 5 3 -3 2.774539 -0.090104 2.406250 Rho 0.3882647E+07 3,-3 6 3 -3 3.492904 -3.884724 -0.285020 Rho 0.3192241E+03 3,-3 7 3 -3 3.553689 4.065283 0.272227 Rho 0.3192447E+03 3,-3 8 3 -3 -3.601094 4.155027 0.028069 Rho 0.3191081E+03 3,-3 9 3 -3 0.924716 -1.019500 0.995402 Rho 0.3189719E+03 3,-3 10 3 -3 -1.321037 -1.007122 -0.793088 Rho 0.3192317E+03 3,-3 11 3 -3 0.869940 0.880909 -0.993335 Rho 0.3190430E+03 3,-3 12 3 -3 -0.941343 1.016998 1.089252 Rho 0.3189605E+03 3,-3 13 3 -3 -3.287868 -1.162829 1.022771 Rho 0.3186862E+03 3,-3 14 3 -3 2.798035 -1.195463 -1.319138 Rho 0.3188461E+03 3,-3 15 3 -3 4.157196 0.272875 3.482928 Rho 0.3191220E+03 3,-3 16 3 -3 2.997147 1.294997 1.043816 Rho 0.3188309E+03 3,-3 17 3 -3 0.266681 3.571585 4.112307 Rho 0.3192622E+03 3,-3 18 3 -3 1.241433 1.177743 3.077569 Rho 0.3189105E+03 3,-3 19 3 -3 -1.231955 0.868886 -3.530371 Rho 0.3190914E+03 3,-3 20 3 -3 -1.240272 -1.321218 2.872445 Rho 0.3187754E+03 3,-3 21 3 -3 -1.506507 2.586367 -1.263598 Rho 0.3187529E+03 3,-3 22 3 -3 -0.185453 3.477410 -3.823626 Rho 0.3190614E+03 3,-3 23 3 -3 1.126340 3.168581 1.348693 Rho 0.3188742E+03 3,-3 24 3 -3 0.981872 -3.088603 -1.120809 Rho 0.3192446E+03 3,-3 25 3 -3 3.411804 -1.559850 1.326717 Rho 0.3189040E+03 3,-3 26 3 -3 4.171048 -0.056948 -3.493879 Rho 0.3192546E+03 3,-3 27 3 -3 3.585595 1.740090 -1.419858 Rho 0.3190304E+03 3,-3 28 3 -3 -3.484383 1.589074 1.397516 Rho 0.3188660E+03 3,-3 29 3 -3 1.770232 -1.395625 3.665326 Rho 0.3189133E+03 3,-3 30 3 -3 1.587378 1.024262 -3.423098 Rho 0.3189802E+03 3,-3 31 3 -3 -1.519894 1.477061 3.524137 Rho 0.3189429E+03 3,-3 32 3 -3 -3.901042 -0.240296 3.692110 Rho 0.3191381E+03 3,-3 33 3 -3 -1.363666 3.619473 1.800910 Rho 0.3189114E+03 3,-3 34 3 -3 1.353379 -3.482281 1.576846 Rho 0.3188718E+03 3,-3 35 3 -3 1.421085 3.344494 -1.443653 Rho 0.3190922E+03 3,-3 36 3 -3 -0.013829 -3.633828 4.128809 Rho 0.3191182E+03 3,-3 37 3 -3 -0.079351 2.441621 2.822522 Rho 0.4361415E+07 3,-3 38 3 -3 2.249082 -2.682955 0.044362 Rho 0.4361414E+07 3,-3 39 3 -3 2.365267 2.803056 0.011261 Rho 0.4361415E+07 3,-3 40 3 -3 2.905150 0.333690 -2.348268 Rho 0.4361416E+07 3,-3 41 3 -3 -0.165957 -0.097729 -0.006194 Rho 0.4276095E+05 3,-3 42 3 -3 -2.606852 -1.176096 0.276919 Rho 0.4296483E+00 3,-3 43 3 +1 -0.631827 -0.612339 1.603385 Rho 0.9916274E-02 |GRAD(Rho)| 0.7529478E-14 GRAD(Rho)x 0.1380474E-14 GRAD(Rho)y -0.7302443E-14 GRAD(Rho)z 0.1208987E-14 Laplacian 0.3677156E-01 (-1/4)Del**2(Rho)) -0.9192889E-02 Diamond 0.1144338E-02 Metallicity 0.8577262E+00 Ellipticity -0.1510327E+01 Gb(Abramov) 0.7442757E-02 Vb(Abramov) -0.5692624E-02 Hb(Abramov) 0.1750133E-02 Ex_ueg -0.1573438E-02 Ec_ueg -0.3642522E-03 Delta_ex -0.1723027E-02 Delta_ec 0.4836705E-03 Delta_et -0.3454669E-02 Pxc 0.4319641E+01 Qxc -0.3562399E+01 3,+1 44 3 -1 -3.325571 -0.107148 3.115674 Rho 0.2151451E+00 |GRAD(Rho)| 0.3562073E-16 GRAD(Rho)x -0.3252607E-16 GRAD(Rho)y -0.9283481E-17 GRAD(Rho)z -0.1116728E-16 Laplacian 0.8136483E+00 (-1/4)Del**2(Rho)) -0.2034121E+00 Diamond 0.2514672E+01 Metallicity 0.6542276E+01 Ellipticity 0.4151760E-02 Gb(Abramov) 0.3574044E+00 Vb(Abramov) -0.5113967E+00 Hb(Abramov) -0.1539923E+00 Ex_ueg -0.9521243E-01 Ec_ueg -0.1273791E-01 Delta_ex -0.9550394E-01 Delta_ec 0.1846019E-01 Delta_et -0.2540102E+00 Pxc 0.7474728E+01 Qxc -0.5173507E+01 3,-1 45 3 -1 -3.077272 0.863981 1.886091 Rho 0.1105912E+00 |GRAD(Rho)| 0.1801374E-14 GRAD(Rho)x 0.1024246E-14 GRAD(Rho)y -0.7916302E-15 GRAD(Rho)z 0.1252674E-14 Laplacian 0.4447682E+00 (-1/4)Del**2(Rho)) -0.1111921E+00 Diamond 0.6434760E+00 Metallicity 0.3947727E+01 Ellipticity 0.1208856E-01 Gb(Abramov) 0.1472874E+00 Vb(Abramov) -0.1833827E+00 Hb(Abramov) -0.3609530E-01 Ex_ueg -0.3920540E-01 Ec_ueg -0.5970979E-02 Delta_ex -0.4466230E-01 Delta_ec 0.1263178E-01 Delta_et -0.1607081E+00 Pxc 0.6565992E+01 Qxc -0.3535710E+01 3,-1 46 3 -1 -1.763020 0.517565 1.725825 Rho 0.4800091E-01 |GRAD(Rho)| 0.2026814E-13 GRAD(Rho)x -0.2448909E-14 GRAD(Rho)y 0.1656889E-13 GRAD(Rho)z -0.1141369E-13 Laplacian 0.1961354E+00 (-1/4)Del**2(Rho)) -0.4903386E-01 Diamond 0.9878202E-01 Metallicity 0.2227441E+01 Ellipticity 0.2846892E-01 Gb(Abramov) 0.5089258E-01 Vb(Abramov) -0.5275130E-01 Hb(Abramov) -0.1858719E-02 Ex_ueg -0.1288401E-01 Ec_ueg -0.2304673E-02 Delta_ex -0.1619446E-01 Delta_ec 0.6229400E-02 Delta_et -0.6508548E-01 Pxc 0.5590385E+01 Qxc -0.2599682E+01 3,-1 47 3 -1 -2.758917 -1.171832 0.445534 Rho 0.3054947E+00 |GRAD(Rho)| 0.1958565E-15 GRAD(Rho)x 0.1232463E-15 GRAD(Rho)y -0.1418701E-15 GRAD(Rho)z 0.5516344E-16 Laplacian -0.1482013E+01 (-1/4)Del**2(Rho)) 0.3705032E+00 Diamond 0.5023894E+01 Metallicity -0.6443188E+01 Ellipticity 0.1079442E-02 Gb(Abramov) 0.1508682E+00 Vb(Abramov) -0.6722395E+00 Hb(Abramov) -0.5213714E+00 Ex_ueg -0.1519579E+00 Ec_ueg -0.1908419E-01 Delta_ex 0.1444317E+00 Delta_ec 0.5257486E-01 Delta_et -0.1221364E+01 Pxc 0.7962504E+01 Qxc 0.2747163E+01 3,-1 48 3 +1 -1.855690 -0.331575 0.760873 Rho 0.1049280E-01 |GRAD(Rho)| 0.2014934E-16 GRAD(Rho)x -0.1551647E-16 GRAD(Rho)y -0.1165251E-16 GRAD(Rho)z -0.5427162E-17 Laplacian 0.3822021E-01 (-1/4)Del**2(Rho)) -0.9555052E-02 Diamond 0.1102987E-02 Metallicity 0.9067187E+00 Ellipticity -0.1388871E+01 Gb(Abramov) 0.7813992E-02 Vb(Abramov) -0.6072932E-02 Hb(Abramov) 0.1741060E-02 Ex_ueg -0.1696577E-02 Ec_ueg -0.3904463E-03 Delta_ex -0.1754492E-02 Delta_ec 0.3904148E-03 Delta_et -0.2918924E-02 Pxc 0.4345226E+01 Qxc -0.4493917E+01 3,+1 49 3 -1 -2.971987 -0.589326 1.679727 Rho 0.1355527E+00 |GRAD(Rho)| 0.2872467E-13 GRAD(Rho)x 0.1386137E-13 GRAD(Rho)y -0.2621547E-14 GRAD(Rho)z -0.2502192E-13 Laplacian 0.5208713E+00 (-1/4)Del**2(Rho)) -0.1302178E+00 Diamond 0.9732344E+00 Metallicity 0.4732198E+01 Ellipticity 0.6908307E-01 Gb(Abramov) 0.1895146E+00 Vb(Abramov) -0.2488114E+00 Hb(Abramov) -0.5929681E-01 Ex_ueg -0.5142755E-01 Ec_ueg -0.7525193E-02 Delta_ex -0.5501056E-01 Delta_ec 0.1433325E-01 Delta_et -0.1895332E+00 Pxc 0.6834050E+01 Qxc -0.3837970E+01 3,-1 50 3 +1 2.151901 1.471109 -1.023713 Rho 0.1747898E-01 |GRAD(Rho)| 0.1263160E-13 GRAD(Rho)x -0.9920284E-14 GRAD(Rho)y 0.1768768E-14 GRAD(Rho)z 0.7616864E-14 Laplacian 0.5976144E-01 (-1/4)Del**2(Rho)) -0.1494036E-01 Diamond 0.3755075E-02 Metallicity 0.1357434E+01 Ellipticity -0.1938922E+01 Gb(Abramov) 0.1334033E-01 Vb(Abramov) -0.1174031E-01 Hb(Abramov) 0.1600028E-02 Ex_ueg -0.3350218E-02 Ec_ueg -0.7180593E-03 Delta_ex -0.3202663E-02 Delta_ec 0.6939513E-03 Delta_et -0.5741215E-02 Pxc 0.4665656E+01 Qxc -0.4615112E+01 3,+1 51 3 -1 -3.055560 3.553797 0.205652 Rho 0.2092325E+00 |GRAD(Rho)| 0.3284653E-15 GRAD(Rho)x -0.2518060E-15 GRAD(Rho)y -0.1997100E-15 GRAD(Rho)z -0.6781685E-16 Laplacian 0.7917555E+00 (-1/4)Del**2(Rho)) -0.1979389E+00 Diamond 0.2363807E+01 Metallicity 0.6418065E+01 Ellipticity 0.7992687E-02 Gb(Abramov) 0.3436900E+00 Vb(Abramov) -0.4894411E+00 Hb(Abramov) -0.1457511E+00 Ex_ueg -0.9173971E-01 Ec_ueg -0.1233824E-01 Delta_ex -0.9225295E-01 Delta_ec 0.1807569E-01 Delta_et -0.2481716E+00 Pxc 0.7435399E+01 Qxc -0.5103704E+01 3,-1 52 3 -1 -1.652035 1.895219 0.736789 Rho 0.4044002E-01 |GRAD(Rho)| 0.6742039E-16 GRAD(Rho)x 0.4827114E-16 GRAD(Rho)y 0.3317066E-16 GRAD(Rho)z -0.3339332E-16 Laplacian 0.1687973E+00 (-1/4)Del**2(Rho)) -0.4219932E-01 Diamond 0.6721028E-01 Metallicity 0.1945061E+01 Ellipticity 0.4131063E-01 Gb(Abramov) 0.4181292E-01 Vb(Abramov) -0.4142652E-01 Hb(Abramov) 0.3863959E-03 Ex_ueg -0.1025180E-01 Ec_ueg -0.1893682E-02 Delta_ex -0.1335323E-01 Delta_ec 0.5352248E-02 Delta_et -0.5338763E-01 Pxc 0.5413686E+01 Qxc -0.2494882E+01 3,-1 53 3 +1 -0.738294 1.414127 -0.579475 Rho 0.1041616E-01 |GRAD(Rho)| 0.1658813E-16 GRAD(Rho)x -0.1172677E-16 GRAD(Rho)y 0.1172831E-16 GRAD(Rho)z -0.3089685E-18 Laplacian 0.3811739E-01 (-1/4)Del**2(Rho)) -0.9529347E-02 Diamond 0.1298406E-02 Metallicity 0.8981233E+00 Ellipticity -0.1593743E+01 Gb(Abramov) 0.7779319E-02 Vb(Abramov) -0.6029292E-02 Hb(Abramov) 0.1750027E-02 Ex_ueg -0.1680074E-02 Ec_ueg -0.3869560E-03 Delta_ex -0.1819401E-02 Delta_ec 0.5198512E-03 Delta_et -0.3743902E-02 Pxc 0.4341770E+01 Qxc -0.3499849E+01 3,+1 54 3 +1 -1.194707 2.284006 1.384195 Rho 0.2362393E-01 |GRAD(Rho)| 0.1670409E-13 GRAD(Rho)x -0.1446612E-13 GRAD(Rho)y -0.8020630E-14 GRAD(Rho)z 0.2329659E-14 Laplacian 0.8449412E-01 (-1/4)Del**2(Rho)) -0.2112353E-01 Diamond 0.9485135E-02 Metallicity 0.1586257E+01 Ellipticity -0.3370626E+01 Gb(Abramov) 0.1966691E-01 Vb(Abramov) -0.1821029E-01 Hb(Abramov) 0.1456619E-02 Ex_ueg -0.5006350E-02 Ec_ueg -0.1019684E-02 Delta_ex -0.5089993E-02 Delta_ec 0.1279612E-02 Delta_et -0.1118108E-01 Pxc 0.4909709E+01 Qxc -0.3977765E+01 3,+1 55 3 -1 -2.185955 1.301340 1.240858 Rho 0.2689119E-01 |GRAD(Rho)| 0.1887458E-13 GRAD(Rho)x 0.1450911E-13 GRAD(Rho)y 0.6713026E-14 GRAD(Rho)z 0.1003349E-13 Laplacian 0.1006305E+00 (-1/4)Del**2(Rho)) -0.2515762E-01 Diamond 0.1583147E-01 Metallicity 0.1652851E+01 Ellipticity 0.2952281E+02 Gb(Abramov) 0.2370205E-01 Vb(Abramov) -0.2224647E-01 Hb(Abramov) 0.1455575E-02 Ex_ueg -0.5950203E-02 Ec_ueg -0.1184396E-02 Delta_ex -0.6508181E-02 Delta_ec 0.1932799E-02 Delta_et -0.1732621E-01 Pxc 0.5023828E+01 Qxc -0.3367231E+01 3,-1 56 3 +1 -2.170264 1.395210 1.171697 Rho 0.2688195E-01 |GRAD(Rho)| 0.4350569E-13 GRAD(Rho)x 0.5460098E-14 GRAD(Rho)y -0.3819711E-13 GRAD(Rho)z 0.2009760E-13 Laplacian 0.9984162E-01 (-1/4)Del**2(Rho)) -0.2496041E-01 Diamond 0.1503003E-01 Metallicity 0.1664956E+01 Ellipticity -0.1556717E+02 Gb(Abramov) 0.2356660E-01 Vb(Abramov) -0.2217279E-01 Hb(Abramov) 0.1393806E-02 Ex_ueg -0.5947476E-02 Ec_ueg -0.1183926E-02 Delta_ex -0.6390532E-02 Delta_ec 0.1799729E-02 Delta_et -0.1615054E-01 Pxc 0.5023519E+01 Qxc -0.3550830E+01 3,+1 57 3 +1 -2.197621 1.210768 1.311491 Rho 0.2688247E-01 |GRAD(Rho)| 0.6291115E-16 GRAD(Rho)x -0.4129025E-16 GRAD(Rho)y -0.3756133E-16 GRAD(Rho)z 0.2901853E-16 Laplacian 0.9955616E-01 (-1/4)Del**2(Rho)) -0.2488904E-01 Diamond 0.1502802E-01 Metallicity 0.1669784E+01 Ellipticity -0.1616750E+02 Gb(Abramov) 0.2351925E-01 Vb(Abramov) -0.2214945E-01 Hb(Abramov) 0.1369795E-02 Ex_ueg -0.5947629E-02 Ec_ueg -0.1183953E-02 Delta_ex -0.6376292E-02 Delta_ec 0.1801724E-02 Delta_et -0.1616732E-01 Pxc 0.5023536E+01 Qxc -0.3538996E+01 3,+1 58 3 -1 -1.929709 2.708636 -0.477177 Rho 0.1427657E+00 |GRAD(Rho)| 0.3046660E-15 GRAD(Rho)x 0.1998320E-15 GRAD(Rho)y -0.8409343E-16 GRAD(Rho)z -0.2140486E-15 Laplacian 0.6126383E+00 (-1/4)Del**2(Rho)) -0.1531596E+00 Diamond 0.1168448E+01 Metallicity 0.4386473E+01 Ellipticity 0.3600519E-01 Gb(Abramov) 0.2140781E+00 Vb(Abramov) -0.2749967E+00 Hb(Abramov) -0.6091855E-01 Ex_ueg -0.5510829E-01 Ec_ueg -0.7982036E-02 Delta_ex -0.6498368E-01 Delta_ec 0.1570629E-01 Delta_et -0.2075449E+00 Pxc 0.6904040E+01 Qxc -0.4137430E+01 3,-1 59 3 -1 -1.851752 3.253137 1.151761 Rho 0.1551817E+00 |GRAD(Rho)| 0.4938049E-15 GRAD(Rho)x 0.3489776E-15 GRAD(Rho)y -0.1469094E-16 GRAD(Rho)z 0.3490589E-15 Laplacian 0.6103026E+00 (-1/4)Del**2(Rho)) -0.1525756E+00 Diamond 0.1316551E+01 Metallicity 0.5059825E+01 Ellipticity 0.4609342E-01 Gb(Abramov) 0.2303848E+00 Vb(Abramov) -0.3081939E+00 Hb(Abramov) -0.7780913E-01 Ex_ueg -0.6158937E-01 Ec_ueg -0.8776039E-02 Delta_ex -0.6636068E-01 Delta_ec 0.1583478E-01 Delta_et -0.2129339E+00 Pxc 0.7017901E+01 Qxc -0.4190818E+01 3,-1 60 3 -1 -2.051828 0.797805 3.001061 Rho 0.8923607E-01 |GRAD(Rho)| 0.8829580E-15 GRAD(Rho)x -0.7312164E-15 GRAD(Rho)y -0.3503057E-15 GRAD(Rho)z -0.3496044E-15 Laplacian 0.3704391E+00 (-1/4)Del**2(Rho)) -0.9260976E-01 Diamond 0.4172408E+00 Metallicity 0.3314850E+01 Ellipticity 0.9107429E-02 Gb(Abramov) 0.1129044E+00 Vb(Abramov) -0.1331991E+00 Hb(Abramov) -0.2029465E-01 Ex_ueg -0.2945138E-01 Ec_ueg -0.4677764E-02 Delta_ex -0.3547561E-01 Delta_ec 0.1114659E-01 Delta_et -0.1358219E+00 Pxc 0.6296039E+01 Qxc -0.3182643E+01 3,-1 61 3 +3 0.008148 -0.014664 2.532411 Rho 0.3996044E-02 |GRAD(Rho)| 0.1282397E-14 GRAD(Rho)x -0.1427337E-15 GRAD(Rho)y 0.1238740E-15 GRAD(Rho)z -0.1268394E-14 Laplacian 0.1571420E-01 (-1/4)Del**2(Rho)) -0.3928550E-02 Diamond 0.1474546E-03 Metallicity 0.4412701E+00 Ellipticity -0.4434906E+00 Gb(Abramov) 0.2907959E-02 Vb(Abramov) -0.1887367E-02 Hb(Abramov) 0.1020591E-02 Ex_ueg -0.4683372E-03 Ec_ueg -0.1039676E-03 Delta_ex -0.5938788E-03 Delta_ec 0.2182589E-03 Delta_et -0.1221900E-02 Pxc 0.4504644E+01 Qxc -0.2720983E+01 3,+3 62 3 +1 -1.479924 0.988568 2.265913 Rho 0.2745311E-01 |GRAD(Rho)| 0.4566815E-16 GRAD(Rho)x -0.1344810E-16 GRAD(Rho)y -0.1763460E-16 GRAD(Rho)z 0.3992179E-16 Laplacian 0.1040377E+00 (-1/4)Del**2(Rho)) -0.2600942E-01 Diamond 0.1269691E-01 Metallicity 0.1654786E+01 Ellipticity -0.2252497E+01 Gb(Abramov) 0.2451295E-01 Vb(Abramov) -0.2301648E-01 Hb(Abramov) 0.1496470E-02 Ex_ueg -0.6116559E-02 Ec_ueg -0.1213000E-02 Delta_ex -0.6368186E-02 Delta_ec 0.1289263E-02 Delta_et -0.1171937E-01 Pxc 0.5042504E+01 Qxc -0.4939399E+01 3,+1 63 3 +1 0.564063 0.458883 1.757448 Rho 0.7370887E-02 |GRAD(Rho)| 0.1161229E-16 GRAD(Rho)x -0.2033755E-17 GRAD(Rho)y -0.6571175E-17 GRAD(Rho)z -0.9355686E-17 Laplacian 0.2915014E-01 (-1/4)Del**2(Rho)) -0.7287534E-02 Diamond 0.6335157E-03 Metallicity 0.6599416E+00 Ellipticity -0.1375044E+01 Gb(Abramov) 0.5659914E-02 Vb(Abramov) -0.4032294E-02 Hb(Abramov) 0.1627620E-02 Ex_ueg -0.1059444E-02 Ec_ueg -0.2503265E-03 Delta_ex -0.1281698E-02 Delta_ec 0.4113334E-03 Delta_et -0.2700633E-02 Pxc 0.4232250E+01 Qxc -0.3115959E+01 3,+1 64 3 -1 -0.878911 2.337397 -1.928419 Rho 0.1149418E+00 |GRAD(Rho)| 0.2611330E-15 GRAD(Rho)x -0.6277531E-16 GRAD(Rho)y -0.3735076E-16 GRAD(Rho)z 0.2507082E-15 Laplacian 0.4938601E+00 (-1/4)Del**2(Rho)) -0.1234650E+00 Diamond 0.7536007E+00 Metallicity 0.3791454E+01 Ellipticity 0.2583429E-01 Gb(Abramov) 0.1603287E+00 Vb(Abramov) -0.1971923E+00 Hb(Abramov) -0.3686365E-01 Ex_ueg -0.4127518E-01 Ec_ueg -0.6238740E-02 Delta_ex -0.5011518E-01 Delta_ec 0.1403496E-01 Delta_et -0.1800665E+00 Pxc 0.6615947E+01 Qxc -0.3570738E+01 3,-1 65 3 +1 0.836347 2.111158 -1.532058 Rho 0.2337209E-01 |GRAD(Rho)| 0.2812269E-14 GRAD(Rho)x -0.1867038E-14 GRAD(Rho)y -0.1527601E-14 GRAD(Rho)z -0.1445498E-14 Laplacian 0.8582473E-01 (-1/4)Del**2(Rho)) -0.2145618E-01 Diamond 0.8001361E-02 Metallicity 0.1534016E+01 Ellipticity -0.1954970E+01 Gb(Abramov) 0.1978981E-01 Vb(Abramov) -0.1812344E-01 Hb(Abramov) 0.1666374E-02 Ex_ueg -0.4935317E-02 Ec_ueg -0.1007106E-02 Delta_ex -0.4977949E-02 Delta_ec 0.9833283E-03 Delta_et -0.8668894E-02 Pxc 0.4900496E+01 Qxc -0.5062347E+01 3,+1 66 3 +1 -0.061521 0.021985 2.854377 Rho 0.4078436E-02 |GRAD(Rho)| 0.1952184E-14 GRAD(Rho)x 0.1876545E-14 GRAD(Rho)y 0.3560542E-15 GRAD(Rho)z 0.4035158E-15 Laplacian 0.1581315E-01 (-1/4)Del**2(Rho)) -0.3953288E-02 Diamond 0.2420183E-03 Metallicity 0.4536812E+00 Ellipticity -0.1751598E+01 Gb(Abramov) 0.2934447E-02 Vb(Abramov) -0.1915607E-02 Hb(Abramov) 0.1018841E-02 Ex_ueg -0.4812565E-03 Ec_ueg -0.1074723E-03 Delta_ex -0.7095252E-03 Delta_ec 0.4142992E-03 Delta_et -0.2150596E-02 Pxc 0.4477959E+01 Qxc -0.1712591E+01 3,+1 67 3 -1 -0.851942 1.919481 3.181493 Rho 0.1731388E+00 |GRAD(Rho)| 0.1532743E-13 GRAD(Rho)x 0.1464256E-13 GRAD(Rho)y -0.4446964E-14 GRAD(Rho)z -0.8661691E-15 Laplacian 0.6594210E+00 (-1/4)Del**2(Rho)) -0.1648553E+00 Diamond 0.1589862E+01 Metallicity 0.5620494E+01 Ellipticity 0.4422278E-01 Gb(Abramov) 0.2643315E+00 Vb(Abramov) -0.3638078E+00 Hb(Abramov) -0.9947625E-01 Ex_ueg -0.7127070E-01 Ec_ueg -0.9940838E-02 Delta_ex -0.7340068E-01 Delta_ec 0.1616608E-01 Delta_et -0.2192304E+00 Pxc 0.7169487E+01 Qxc -0.4540414E+01 3,-1 68 3 -1 0.557351 2.813311 2.039153 Rho 0.1092164E+00 |GRAD(Rho)| 0.4138312E-15 GRAD(Rho)x 0.2838577E-15 GRAD(Rho)y 0.1214171E-15 GRAD(Rho)z -0.2755703E-15 Laplacian 0.4527269E+00 (-1/4)Del**2(Rho)) -0.1131817E+00 Diamond 0.6317108E+00 Metallicity 0.3798304E+01 Ellipticity 0.2170060E-01 Gb(Abramov) 0.1471043E+00 Vb(Abramov) -0.1810268E+00 Hb(Abramov) -0.3392253E-01 Ex_ueg -0.3855689E-01 Ec_ueg -0.5886651E-02 Delta_ex -0.4512382E-01 Delta_ec 0.1252759E-01 Delta_et -0.1585000E+00 Pxc 0.6549886E+01 Qxc -0.3601954E+01 3,-1 69 3 +1 1.537255 -0.622351 -0.544691 Rho 0.8616743E-02 |GRAD(Rho)| 0.8020757E-13 GRAD(Rho)x -0.6912978E-13 GRAD(Rho)y 0.2878883E-13 GRAD(Rho)z 0.2873207E-13 Laplacian 0.3483150E-01 (-1/4)Del**2(Rho)) -0.8707875E-02 Diamond 0.9376462E-03 Metallicity 0.7164945E+00 Ellipticity -0.1408647E+01 Gb(Abramov) 0.6845108E-02 Vb(Abramov) -0.4982340E-02 Hb(Abramov) 0.1862768E-02 Ex_ueg -0.1304696E-02 Ec_ueg -0.3057293E-03 Delta_ex -0.1593387E-02 Delta_ec 0.4925721E-03 Delta_et -0.3366415E-02 Pxc 0.4267487E+01 Qxc -0.3234830E+01 3,+1 70 3 +3 1.059438 1.139494 1.103235 Rho 0.4070921E-02 |GRAD(Rho)| 0.8302325E-16 GRAD(Rho)x 0.4343430E-17 GRAD(Rho)y 0.7656641E-16 GRAD(Rho)z 0.3180535E-16 Laplacian 0.1565030E-01 (-1/4)Del**2(Rho)) -0.3912575E-02 Diamond 0.9392330E-04 Metallicity 0.4569952E+00 Ellipticity -0.3728937E+00 Gb(Abramov) 0.2906388E-02 Vb(Abramov) -0.1900201E-02 Hb(Abramov) 0.1006187E-02 Ex_ueg -0.4800744E-03 Ec_ueg -0.1071525E-03 Delta_ex -0.5248495E-03 Delta_ec 0.9381729E-04 Delta_et -0.6430864E-03 Pxc 0.4480293E+01 Qxc -0.5594379E+01 3,+3 71 3 -1 -0.000336 -1.931054 -0.825104 Rho 0.7834798E-02 |GRAD(Rho)| 0.4112150E-17 GRAD(Rho)x -0.2849855E-17 GRAD(Rho)y 0.2876438E-17 GRAD(Rho)z -0.7170829E-18 Laplacian 0.2787150E-01 (-1/4)Del**2(Rho)) -0.6967875E-02 Diamond 0.1259797E-02 Metallicity 0.7641275E+00 Ellipticity 0.1870647E+01 Gb(Abramov) 0.5532641E-02 Vb(Abramov) -0.4097407E-02 Hb(Abramov) 0.1435234E-02 Ex_ueg -0.1149270E-02 Ec_ueg -0.2708740E-03 Delta_ex -0.1551276E-02 Delta_ec 0.9413125E-03 Delta_et -0.5822906E-02 Pxc 0.4242822E+01 Qxc -0.1647992E+01 3,-1 72 3 +1 0.164041 -1.813803 -0.667879 Rho 0.7757462E-02 |GRAD(Rho)| 0.1792831E-15 GRAD(Rho)x 0.6986767E-17 GRAD(Rho)y 0.1289139E-15 GRAD(Rho)z 0.1243979E-15 Laplacian 0.2731977E-01 (-1/4)Del**2(Rho)) -0.6829944E-02 Diamond 0.9300426E-03 Metallicity 0.7667764E+00 Ellipticity -0.3308004E+01 Gb(Abramov) 0.5426136E-02 Vb(Abramov) -0.4022328E-02 Hb(Abramov) 0.1403808E-02 Ex_ueg -0.1134169E-02 Ec_ueg -0.2674417E-03 Delta_ex -0.1368430E-02 Delta_ec 0.6564611E-03 Delta_et -0.4141554E-02 Pxc 0.4240809E+01 Qxc -0.2084557E+01 3,+1 73 3 -1 1.844008 0.590066 -1.650361 Rho 0.3653355E-01 |GRAD(Rho)| 0.4805106E-16 GRAD(Rho)x -0.4087125E-16 GRAD(Rho)y 0.1550282E-17 GRAD(Rho)z 0.2521988E-16 Laplacian 0.1399596E+00 (-1/4)Del**2(Rho)) -0.3498990E-01 Diamond 0.4391299E-01 Metallicity 0.1980449E+01 Ellipticity 0.1415290E+00 Gb(Abramov) 0.3487588E-01 Vb(Abramov) -0.3476187E-01 Hb(Abramov) 0.1140128E-03 Ex_ueg -0.8953118E-02 Ec_ueg -0.1685284E-02 Delta_ex -0.1049797E-01 Delta_ec 0.3898991E-02 Delta_et -0.3779262E-01 Pxc 0.5312526E+01 Qxc -0.2692484E+01 3,-1 74 3 -1 1.577828 1.830982 -0.517086 Rho 0.2823163E-01 |GRAD(Rho)| 0.8807526E-16 GRAD(Rho)x -0.1390410E-16 GRAD(Rho)y 0.8592472E-16 GRAD(Rho)z -0.1344885E-16 Laplacian 0.1013470E+00 (-1/4)Del**2(Rho)) -0.2533674E-01 Diamond 0.2077865E-01 Metallicity 0.1779764E+01 Ellipticity 0.5334560E+00 Gb(Abramov) 0.2440673E-01 Vb(Abramov) -0.2347672E-01 Hb(Abramov) 0.9300118E-03 Ex_ueg -0.6348917E-02 Ec_ueg -0.1252759E-02 Delta_ex -0.6983793E-02 Delta_ec 0.2561982E-02 Delta_et -0.2317257E-01 Pxc 0.5067949E+01 Qxc -0.2725934E+01 3,-1 75 3 -1 -0.727790 -0.540175 -0.387254 Rho 0.1992667E+00 |GRAD(Rho)| 0.6416132E-16 GRAD(Rho)x 0.2081668E-16 GRAD(Rho)y 0.5204170E-16 GRAD(Rho)z -0.3122502E-16 Laplacian 0.5446156E+00 (-1/4)Del**2(Rho)) -0.1361539E+00 Diamond 0.1509515E+01 Metallicity 0.8601632E+01 Ellipticity 0.1143503E-01 Gb(Abramov) 0.2859602E+00 Vb(Abramov) -0.4357665E+00 Hb(Abramov) -0.1498063E+00 Ex_ueg -0.8596030E-01 Ec_ueg -0.1166896E-01 Delta_ex -0.6250510E-01 Delta_ec 0.1231317E-01 Delta_et -0.1674518E+00 Pxc 0.7366580E+01 Qxc -0.5076278E+01 3,-1 76 3 -1 0.333909 0.370225 -0.482966 Rho 0.1717434E+00 |GRAD(Rho)| 0.9667586E-11 GRAD(Rho)x 0.7523437E-11 GRAD(Rho)y 0.2147144E-11 GRAD(Rho)z -0.5678898E-11 Laplacian 0.4319792E+00 (-1/4)Del**2(Rho)) -0.1079948E+00 Diamond 0.1047738E+01 Metallicity 0.8464808E+01 Ellipticity 0.1595095E-01 Gb(Abramov) 0.2243557E+00 Vb(Abramov) -0.3407167E+00 Hb(Abramov) -0.1163609E+00 Ex_ueg -0.7050585E-01 Ec_ueg -0.9849642E-02 Delta_ex -0.4812233E-01 Delta_ec 0.1085462E-01 Delta_et -0.1477409E+00 Pxc 0.7158214E+01 Qxc -0.4433349E+01 3,-1 77 3 -1 -0.758265 3.048054 2.265800 Rho 0.1182177E+00 |GRAD(Rho)| 0.3656946E-13 GRAD(Rho)x -0.5157096E-14 GRAD(Rho)y -0.2706462E-13 GRAD(Rho)z 0.2404653E-13 Laplacian 0.4613742E+00 (-1/4)Del**2(Rho)) -0.1153435E+00 Diamond 0.7007260E+00 Metallicity 0.4253018E+01 Ellipticity 0.1170808E-01 Gb(Abramov) 0.1586554E+00 Vb(Abramov) -0.2019672E+00 Hb(Abramov) -0.4331185E-01 Ex_ueg -0.4285106E-01 Ec_ueg -0.6441258E-02 Delta_ex -0.4675212E-01 Delta_ec 0.1235646E-01 Delta_et -0.1583404E+00 Pxc 0.6652592E+01 Qxc -0.3783618E+01 3,-1 78 3 -1 -0.535297 0.440136 0.520058 Rho 0.1670336E+00 |GRAD(Rho)| 0.6172594E-15 GRAD(Rho)x 0.5204170E-16 GRAD(Rho)y -0.5620504E-15 GRAD(Rho)z -0.2498002E-15 Laplacian 0.4222161E+00 (-1/4)Del**2(Rho)) -0.1055540E+00 Diamond 0.9908891E+00 Metallicity 0.8268337E+01 Ellipticity 0.7604400E-02 Gb(Abramov) 0.2158287E+00 Vb(Abramov) -0.3261034E+00 Hb(Abramov) -0.1102747E+00 Ex_ueg -0.6793969E-01 Ec_ueg -0.9542683E-02 Delta_ex -0.4671476E-01 Delta_ec 0.1069190E-01 Delta_et -0.1450441E+00 Pxc 0.7119558E+01 Qxc -0.4369173E+01 3,-1 79 3 +1 0.559392 1.753463 0.538234 Rho 0.6293609E-02 |GRAD(Rho)| 0.5021053E-16 GRAD(Rho)x 0.4020035E-16 GRAD(Rho)y 0.2992420E-16 GRAD(Rho)z 0.3093790E-17 Laplacian 0.2376041E-01 (-1/4)Del**2(Rho)) -0.5940103E-02 Diamond 0.4108331E-03 Metallicity 0.6221936E+00 Ellipticity -0.1351058E+01 Gb(Abramov) 0.4576051E-02 Vb(Abramov) -0.3211999E-02 Hb(Abramov) 0.1364052E-02 Ex_ueg -0.8581926E-03 Ec_ueg -0.2029999E-03 Delta_ex -0.1000687E-02 Delta_ec 0.3282038E-03 Delta_et -0.2073928E-02 Pxc 0.4227551E+01 Qxc -0.3048979E+01 3,+1 80 3 -1 0.356719 -0.541932 0.475732 Rho 0.1672111E+00 |GRAD(Rho)| 0.2413587E-13 GRAD(Rho)x -0.1552924E-13 GRAD(Rho)y 0.1109703E-13 GRAD(Rho)z -0.1477291E-13 Laplacian 0.4204688E+00 (-1/4)Del**2(Rho)) -0.1051172E+00 Diamond 0.9924815E+00 Metallicity 0.8317406E+01 Ellipticity 0.6880439E-02 Gb(Abramov) 0.2157952E+00 Vb(Abramov) -0.3264732E+00 Hb(Abramov) -0.1106780E+00 Ex_ueg -0.6803596E-01 Ec_ueg -0.9554227E-02 Delta_ex -0.4657190E-01 Delta_ec 0.1071301E-01 Delta_et -0.1455292E+00 Pxc 0.7121032E+01 Qxc -0.4347230E+01 3,-1 81 3 -1 -0.182511 2.825094 -3.296620 Rho 0.2011563E+00 |GRAD(Rho)| 0.2516851E-15 GRAD(Rho)x -0.3705769E-18 GRAD(Rho)y 0.1565046E-15 GRAD(Rho)z 0.1971080E-15 Laplacian 0.7540490E+00 (-1/4)Del**2(Rho)) -0.1885122E+00 Diamond 0.2165908E+01 Metallicity 0.6311072E+01 Ellipticity 0.2570637E-01 Gb(Abramov) 0.3239606E+00 Vb(Abramov) -0.4594089E+00 Hb(Abramov) -0.1354483E+00 Ex_ueg -0.8704891E-01 Ec_ueg -0.1179544E-01 Delta_ex -0.8710239E-01 Delta_ec 0.1762951E-01 Delta_et -0.2421680E+00 Pxc 0.7379881E+01 Qxc -0.4940715E+01 3,-1 82 3 -1 -0.502405 1.698277 1.916067 Rho 0.4617067E-01 |GRAD(Rho)| 0.1021868E-15 GRAD(Rho)x 0.2681833E-16 GRAD(Rho)y 0.9536066E-16 GRAD(Rho)z -0.2508530E-16 Laplacian 0.1813240E+00 (-1/4)Del**2(Rho)) -0.4533099E-01 Diamond 0.8079845E-01 Metallicity 0.2258230E+01 Ellipticity 0.3692054E-01 Gb(Abramov) 0.4728196E-01 Vb(Abramov) -0.4923293E-01 Hb(Abramov) -0.1950971E-02 Ex_ueg -0.1223320E-01 Ec_ueg -0.2204322E-02 Delta_ex -0.1454895E-01 Delta_ec 0.5261856E-02 Delta_et -0.5430423E-01 Pxc 0.5549641E+01 Qxc -0.2764984E+01 3,-1 83 3 -1 -0.746543 1.422897 -3.140902 Rho 0.2063661E+00 |GRAD(Rho)| 0.1700161E-13 GRAD(Rho)x 0.8876580E-14 GRAD(Rho)y 0.1157310E-13 GRAD(Rho)z 0.8736393E-14 Laplacian 0.7846484E+00 (-1/4)Del**2(Rho)) -0.1961621E+00 Diamond 0.2317324E+01 Metallicity 0.6329004E+01 Ellipticity 0.1186586E-01 Gb(Abramov) 0.3376932E+00 Vb(Abramov) -0.4792243E+00 Hb(Abramov) -0.1415311E+00 Ex_ueg -0.9006781E-01 Ec_ueg -0.1214517E-01 Delta_ex -0.9118759E-01 Delta_ec 0.1813681E-01 Delta_et -0.2493416E+00 Pxc 0.7415937E+01 Qxc -0.5027763E+01 3,-1 84 3 -1 0.330831 1.436461 -1.799607 Rho 0.5573242E-01 |GRAD(Rho)| 0.2465503E-15 GRAD(Rho)x 0.9331000E-16 GRAD(Rho)y -0.1463300E-15 GRAD(Rho)z 0.1751224E-15 Laplacian 0.2318722E+00 (-1/4)Del**2(Rho)) -0.5796806E-01 Diamond 0.1439407E+00 Metallicity 0.2416634E+01 Ellipticity 0.2710592E-01 Gb(Abramov) 0.6199331E-01 Vb(Abramov) -0.6601855E-01 Hb(Abramov) -0.4025246E-02 Ex_ueg -0.1572277E-01 Ec_ueg -0.2734108E-02 Delta_ex -0.1990440E-01 Delta_ec 0.7416505E-02 Delta_et -0.8063016E-01 Pxc 0.5750602E+01 Qxc -0.2683798E+01 3,-1 85 3 +1 1.638643 0.491401 0.512353 Rho 0.7150069E-02 |GRAD(Rho)| 0.1316177E-16 GRAD(Rho)x 0.4145750E-17 GRAD(Rho)y -0.8868669E-17 GRAD(Rho)z 0.8797248E-17 Laplacian 0.2758740E-01 (-1/4)Del**2(Rho)) -0.6896851E-02 Diamond 0.5728986E-03 Metallicity 0.6628564E+00 Ellipticity -0.1383584E+01 Gb(Abramov) 0.5359837E-02 Vb(Abramov) -0.3822824E-02 Hb(Abramov) 0.1537013E-02 Ex_ueg -0.1017338E-02 Ec_ueg -0.2405810E-03 Delta_ex -0.1202469E-02 Delta_ec 0.3868468E-03 Delta_et -0.2521923E-02 Pxc 0.4228673E+01 Qxc -0.3108385E+01 3,+1 86 3 -1 0.162508 -3.055294 3.561171 Rho 0.2107707E+00 |GRAD(Rho)| 0.1004647E-14 GRAD(Rho)x 0.2535949E-15 GRAD(Rho)y 0.7959128E-15 GRAD(Rho)z -0.5581473E-15 Laplacian 0.7987060E+00 (-1/4)Del**2(Rho)) -0.1996765E+00 Diamond 0.2404036E+01 Metallicity 0.6440358E+01 Ellipticity 0.5842789E-02 Gb(Abramov) 0.3474490E+00 Vb(Abramov) -0.4952216E+00 Hb(Abramov) -0.1477725E+00 Ex_ueg -0.9264005E-01 Ec_ueg -0.1244203E-01 Delta_ex -0.9322821E-01 Delta_ec 0.1817867E-01 Delta_et -0.2496362E+00 Pxc 0.7445736E+01 Qxc -0.5128440E+01 3,-1 87 3 -1 -0.485797 -1.813242 2.879456 Rho 0.1436501E+00 |GRAD(Rho)| 0.3508429E-15 GRAD(Rho)x -0.2586635E-15 GRAD(Rho)y 0.2200388E-15 GRAD(Rho)z -0.8812954E-16 Laplacian 0.6116392E+00 (-1/4)Del**2(Rho)) -0.1529098E+00 Diamond 0.1181491E+01 Metallicity 0.4439095E+01 Ellipticity 0.2758180E-01 Gb(Abramov) 0.2150701E+00 Vb(Abramov) -0.2772303E+00 Hb(Abramov) -0.6216026E-01 Ex_ueg -0.5556394E-01 Ec_ueg -0.8038277E-02 Delta_ex -0.6504178E-01 Delta_ec 0.1577493E-01 Delta_et -0.2088965E+00 Pxc 0.6912419E+01 Qxc -0.4123111E+01 3,-1 88 3 -1 0.653932 2.720343 -2.031477 Rho 0.4603021E-01 |GRAD(Rho)| 0.1028208E-15 GRAD(Rho)x -0.3241256E-16 GRAD(Rho)y -0.7985615E-16 GRAD(Rho)z -0.5607612E-16 Laplacian 0.1880731E+00 (-1/4)Del**2(Rho)) -0.4701827E-01 Diamond 0.9201537E-01 Metallicity 0.2166165E+01 Ellipticity 0.3169393E-01 Gb(Abramov) 0.4832040E-01 Vb(Abramov) -0.4962253E-01 Hb(Abramov) -0.1302130E-02 Ex_ueg -0.1218360E-01 Ec_ueg -0.2196643E-02 Delta_ex -0.1549068E-01 Delta_ec 0.6193009E-02 Delta_et -0.6402670E-01 Pxc 0.5546465E+01 Qxc -0.2501317E+01 3,-1 89 3 -1 0.106796 3.052238 3.519154 Rho 0.2363181E+00 |GRAD(Rho)| 0.8576253E-14 GRAD(Rho)x -0.5896081E-14 GRAD(Rho)y -0.6218225E-14 GRAD(Rho)z -0.3493299E-15 Laplacian 0.8699583E+00 (-1/4)Del**2(Rho)) -0.2174896E+00 Diamond 0.3012666E+01 Metallicity 0.7155002E+01 Ellipticity 0.4890838E-02 Gb(Abramov) 0.4043494E+00 Vb(Abramov) -0.5912093E+00 Hb(Abramov) -0.1868599E+00 Ex_ueg -0.1079065E+00 Ec_ueg -0.1418497E-01 Delta_ex -0.1046452E+00 Delta_ec 0.1923422E-01 Delta_et -0.2659676E+00 Pxc 0.7607105E+01 Qxc -0.5440575E+01 3,-1 90 3 -1 0.630889 -1.667675 1.908026 Rho 0.4504973E-01 |GRAD(Rho)| 0.4360110E-16 GRAD(Rho)x -0.6215740E-17 GRAD(Rho)y 0.1703510E-16 GRAD(Rho)z 0.3965131E-16 Laplacian 0.1890663E+00 (-1/4)Del**2(Rho)) -0.4726656E-01 Diamond 0.8752593E-01 Metallicity 0.2078832E+01 Ellipticity 0.2881642E-01 Gb(Abramov) 0.4788758E-01 Vb(Abramov) -0.4850861E-01 Hb(Abramov) -0.6210224E-03 Ex_ueg -0.1183881E-01 Ec_ueg -0.2143126E-02 Delta_ex -0.1537619E-01 Delta_ec 0.6022255E-02 Delta_et -0.6186150E-01 Pxc 0.5524085E+01 Qxc -0.2553227E+01 3,-1 91 3 +1 0.992710 -2.188978 1.507493 Rho 0.2864650E-01 |GRAD(Rho)| 0.3210327E-11 GRAD(Rho)x 0.1730818E-11 GRAD(Rho)y -0.2595803E-11 GRAD(Rho)z -0.7564865E-12 Laplacian 0.1094778E+00 (-1/4)Del**2(Rho)) -0.2736945E-01 Diamond 0.1516082E-01 Metallicity 0.1688132E+01 Ellipticity -0.2780765E+01 Gb(Abramov) 0.2594684E-01 Vb(Abramov) -0.2452423E-01 Hb(Abramov) 0.1422607E-02 Ex_ueg -0.6473621E-02 Ec_ueg -0.1274006E-02 Delta_ex -0.6870996E-02 Delta_ec 0.1516346E-02 Delta_et -0.1387685E-01 Pxc 0.5081311E+01 Qxc -0.4531285E+01 3,+1 92 3 +1 1.473689 -1.069933 2.255966 Rho 0.2097622E-01 |GRAD(Rho)| 0.2757882E-13 GRAD(Rho)x 0.2276099E-13 GRAD(Rho)y 0.1336702E-13 GRAD(Rho)z 0.7990687E-14 Laplacian 0.6846873E-01 (-1/4)Del**2(Rho)) -0.1711718E-01 Diamond 0.5672217E-02 Metallicity 0.1605707E+01 Ellipticity -0.2419297E+01 Gb(Abramov) 0.1599232E-01 Vb(Abramov) -0.1486746E-01 Hb(Abramov) 0.1124864E-02 Ex_ueg -0.4272559E-02 Ec_ueg -0.8883392E-03 Delta_ex -0.3877569E-02 Delta_ec 0.8280904E-03 Delta_et -0.7113697E-02 Pxc 0.4809604E+01 Qxc -0.4682543E+01 3,+1 93 3 -1 0.889391 -2.952627 2.189971 Rho 0.1264603E+00 |GRAD(Rho)| 0.6223973E-14 GRAD(Rho)x -0.1455690E-14 GRAD(Rho)y 0.1287084E-14 GRAD(Rho)z 0.5912886E-14 Laplacian 0.5164697E+00 (-1/4)Del**2(Rho)) -0.1291174E+00 Diamond 0.8679693E+00 Metallicity 0.4251007E+01 Ellipticity 0.5312955E-01 Gb(Abramov) 0.1775581E+00 Vb(Abramov) -0.2259988E+00 Hb(Abramov) -0.4844071E-01 Ex_ueg -0.4688032E-01 Ec_ueg -0.6954133E-02 Delta_ex -0.5340299E-01 Delta_ec 0.1400219E-01 Delta_et -0.1822022E+00 Pxc 0.6741360E+01 Qxc -0.3813902E+01 3,-1 94 3 -1 0.746743 1.521461 -3.052505 Rho 0.7482488E-01 |GRAD(Rho)| 0.1710629E-15 GRAD(Rho)x -0.1666622E-15 GRAD(Rho)y 0.3822151E-16 GRAD(Rho)z 0.5034764E-17 Laplacian 0.3176429E+00 (-1/4)Del**2(Rho)) -0.7941072E-01 Diamond 0.2912137E+00 Metallicity 0.2882376E+01 Ellipticity 0.1146723E-01 Gb(Abramov) 0.9108908E-01 Vb(Abramov) -0.1027674E+00 Hb(Abramov) -0.1167836E-01 Ex_ueg -0.2328697E-01 Ec_ueg -0.3827253E-02 Delta_ex -0.2930071E-01 Delta_ec 0.1000415E-01 Delta_et -0.1171789E+00 Pxc 0.6084514E+01 Qxc -0.2928857E+01 3,-1 95 3 +1 0.951035 1.150389 -2.256062 Rho 0.2731843E-01 |GRAD(Rho)| 0.1788641E-13 GRAD(Rho)x -0.1295906E-13 GRAD(Rho)y 0.1084169E-13 GRAD(Rho)z -0.5868911E-14 Laplacian 0.1054720E+00 (-1/4)Del**2(Rho)) -0.2636801E-01 Diamond 0.1343486E-01 Metallicity 0.1618957E+01 Ellipticity -0.2386217E+01 Gb(Abramov) 0.2469345E-01 Vb(Abramov) -0.2301889E-01 Hb(Abramov) 0.1674558E-02 Ex_ueg -0.6076581E-02 Ec_ueg -0.1206137E-02 Delta_ex -0.6509862E-02 Delta_ec 0.1419092E-02 Delta_et -0.1286086E-01 Pxc 0.5038052E+01 Qxc -0.4587343E+01 3,+1 96 3 -1 0.631539 1.764532 2.943059 Rho 0.1789931E+00 |GRAD(Rho)| 0.3992384E-15 GRAD(Rho)x -0.2162712E-15 GRAD(Rho)y 0.3354522E-15 GRAD(Rho)z 0.9479993E-17 Laplacian 0.7399709E+00 (-1/4)Del**2(Rho)) -0.1849927E+00 Diamond 0.1835262E+01 Metallicity 0.5294105E+01 Ellipticity 0.2287648E-01 Gb(Abramov) 0.2865570E+00 Vb(Abramov) -0.3881212E+00 Hb(Abramov) -0.1015642E+00 Ex_ueg -0.7450183E-01 Ec_ueg -0.1032466E-01 Delta_ex -0.8288757E-01 Delta_ec 0.1768194E-01 Delta_et -0.2397747E+00 Pxc 0.7215910E+01 Qxc -0.4687697E+01 3,-1 97 3 +1 1.772520 1.841968 1.814103 Rho 0.1161179E-01 |GRAD(Rho)| 0.2880126E-16 GRAD(Rho)x -0.1913844E-16 GRAD(Rho)y 0.6955579E-18 GRAD(Rho)z 0.2151159E-16 Laplacian 0.5574175E-01 (-1/4)Del**2(Rho)) -0.1393544E-01 Diamond 0.2092606E-02 Metallicity 0.7360905E+00 Ellipticity -0.1267991E+01 Gb(Abramov) 0.1099992E-01 Vb(Abramov) -0.8064393E-02 Hb(Abramov) 0.2935522E-02 Ex_ueg -0.1942006E-02 Ec_ueg -0.4416777E-03 Delta_ex -0.2703485E-02 Delta_ec 0.7006151E-03 Delta_et -0.5229204E-02 Pxc 0.4396886E+01 Qxc -0.3858731E+01 3,+1 98 3 -1 1.116640 -1.850415 3.302853 Rho 0.1680826E+00 |GRAD(Rho)| 0.2451831E-15 GRAD(Rho)x -0.2244841E-15 GRAD(Rho)y -0.7860466E-16 GRAD(Rho)z 0.5952270E-16 Laplacian 0.6443405E+00 (-1/4)Del**2(Rho)) -0.1610851E+00 Diamond 0.1523458E+01 Metallicity 0.5474811E+01 Ellipticity 0.3425815E-01 Gb(Abramov) 0.2543752E+00 Vb(Abramov) -0.3476652E+00 Hb(Abramov) -0.9329005E-01 Ex_ueg -0.6850919E-01 Ec_ueg -0.9610940E-02 Delta_ex -0.7140065E-01 Delta_ec 0.1628874E-01 Delta_et -0.2211384E+00 Pxc 0.7128251E+01 Qxc -0.4383437E+01 3,-1 99 3 -1 1.555986 -1.811198 0.512548 Rho 0.5579494E-01 |GRAD(Rho)| 0.1218870E-11 GRAD(Rho)x -0.6979108E-12 GRAD(Rho)y 0.8790079E-12 GRAD(Rho)z 0.4752993E-12 Laplacian 0.2201918E+00 (-1/4)Del**2(Rho)) -0.5504795E-01 Diamond 0.1283468E+00 Metallicity 0.2549588E+01 Ellipticity 0.2015825E-01 Gb(Abramov) 0.6009023E-01 Vb(Abramov) -0.6513252E-01 Hb(Abramov) -0.5042285E-02 Ex_ueg -0.1574629E-01 Ec_ueg -0.2737615E-02 Delta_ex -0.1858860E-01 Delta_ec 0.6474325E-02 Delta_et -0.7020440E-01 Pxc 0.5751827E+01 Qxc -0.2871125E+01 3,-1 100 3 +3 2.310263 -0.056947 0.016062 Rho 0.4063892E-02 |GRAD(Rho)| 0.5501550E-16 GRAD(Rho)x -0.3817393E-16 GRAD(Rho)y -0.2070957E-16 GRAD(Rho)z 0.3377233E-16 Laplacian 0.1643264E-01 (-1/4)Del**2(Rho)) -0.4108160E-02 Diamond 0.1248115E-03 Metallicity 0.4339864E+00 Ellipticity -0.3534790E+00 Gb(Abramov) 0.3035921E-02 Vb(Abramov) -0.1963682E-02 Hb(Abramov) 0.1072239E-02 Ex_ueg -0.4789696E-03 Ec_ueg -0.1068534E-03 Delta_ex -0.5831813E-03 Delta_ec 0.1562630E-03 Delta_et -0.9459187E-03 Pxc 0.4482493E+01 Qxc -0.3732050E+01 3,+3 101 3 +1 2.148830 -1.026876 1.371833 Rho 0.2719149E-01 |GRAD(Rho)| 0.8588303E-16 GRAD(Rho)x -0.8405797E-16 GRAD(Rho)y 0.6484540E-17 GRAD(Rho)z -0.1637386E-16 Laplacian 0.1033858E+00 (-1/4)Del**2(Rho)) -0.2584644E-01 Diamond 0.1346376E-01 Metallicity 0.1638856E+01 Ellipticity -0.2758134E+01 Gb(Abramov) 0.2429073E-01 Vb(Abramov) -0.2273501E-01 Hb(Abramov) 0.1555714E-02 Ex_ueg -0.6038964E-02 Ec_ueg -0.1199673E-02 Delta_ex -0.6409692E-02 Delta_ec 0.1456775E-02 Delta_et -0.1317492E-01 Pxc 0.5033842E+01 Qxc -0.4399918E+01 3,+1 102 3 -1 1.767839 -3.089379 0.862345 Rho 0.1425283E+00 |GRAD(Rho)| 0.2175160E-15 GRAD(Rho)x -0.1671975E-15 GRAD(Rho)y -0.9463052E-16 GRAD(Rho)z 0.1019963E-15 Laplacian 0.5341520E+00 (-1/4)Del**2(Rho)) -0.1335380E+00 Diamond 0.1032528E+01 Metallicity 0.5017072E+01 Ellipticity 0.2276074E-01 Gb(Abramov) 0.2006870E+00 Vb(Abramov) -0.2678359E+00 Hb(Abramov) -0.6714896E-01 Ex_ueg -0.5498616E-01 Ec_ueg -0.7966949E-02 Delta_ex -0.5680402E-01 Delta_ec 0.1400065E-01 Delta_et -0.1856063E+00 Pxc 0.6901783E+01 Qxc -0.4057241E+01 3,-1 103 3 -1 1.564647 -2.895913 -0.585167 Rho 0.2247016E+00 |GRAD(Rho)| 0.4448928E-13 GRAD(Rho)x -0.2771698E-13 GRAD(Rho)y -0.3290361E-13 GRAD(Rho)z 0.1133214E-13 Laplacian 0.8732178E+00 (-1/4)Del**2(Rho)) -0.2183044E+00 Diamond 0.2814034E+01 Metallicity 0.6553918E+01 Ellipticity 0.1406060E-01 Gb(Abramov) 0.3839945E+00 Vb(Abramov) -0.5496846E+00 Hb(Abramov) -0.1656901E+00 Ex_ueg -0.1008928E+00 Ec_ueg -0.1338800E-01 Delta_ex -0.1034833E+00 Delta_ec 0.1926036E-01 Delta_et -0.2643990E+00 Pxc 0.7536062E+01 Qxc -0.5372865E+01 3,-1 104 3 -1 1.965794 0.578705 2.751837 Rho 0.9188272E-01 |GRAD(Rho)| 0.3713658E-13 GRAD(Rho)x -0.1290255E-14 GRAD(Rho)y 0.3427972E-13 GRAD(Rho)z -0.1422538E-13 Laplacian 0.4003162E+00 (-1/4)Del**2(Rho)) -0.1000791E+00 Diamond 0.4699974E+00 Metallicity 0.3220572E+01 Ellipticity 0.4818102E-01 Gb(Abramov) 0.1204380E+00 Vb(Abramov) -0.1407970E+00 Hb(Abramov) -0.2035895E-01 Ex_ueg -0.3062176E-01 Ec_ueg -0.4836018E-02 Delta_ex -0.3864700E-01 Delta_ec 0.1207091E-01 Delta_et -0.1481211E+00 Pxc 0.6332020E+01 Qxc -0.3201664E+01 3,-1 105 3 +1 2.885096 -0.117333 0.029943 Rho 0.4541034E-02 |GRAD(Rho)| 0.5628095E-17 GRAD(Rho)x 0.5586216E-18 GRAD(Rho)y -0.1584670E-18 GRAD(Rho)z 0.5598061E-17 Laplacian 0.1777123E-01 (-1/4)Del**2(Rho)) -0.4442809E-02 Diamond 0.3035435E-03 Metallicity 0.4828588E+00 Ellipticity -0.1748499E+01 Gb(Abramov) 0.3319414E-02 Vb(Abramov) -0.2196019E-02 Hb(Abramov) 0.1123395E-02 Ex_ueg -0.5553815E-03 Ec_ueg -0.1272154E-03 Delta_ex -0.8034630E-03 Delta_ec 0.4454038E-03 Delta_et -0.2396515E-02 Pxc 0.4365678E+01 Qxc -0.1803898E+01 3,+1 106 3 -1 1.854165 3.078748 -0.774139 Rho 0.1995371E+00 |GRAD(Rho)| 0.1286381E-13 GRAD(Rho)x 0.7048019E-14 GRAD(Rho)y -0.2000082E-14 GRAD(Rho)z 0.1057368E-13 Laplacian 0.7490284E+00 (-1/4)Del**2(Rho)) -0.1872571E+00 Diamond 0.2121678E+01 Metallicity 0.6268367E+01 Ellipticity 0.4563872E-01 Gb(Abramov) 0.3204708E+00 Vb(Abramov) -0.4536845E+00 Hb(Abramov) -0.1332137E+00 Ex_ueg -0.8611591E-01 Ec_ueg -0.1168705E-01 Delta_ex -0.8628271E-01 Delta_ec 0.1744138E-01 Delta_et -0.2390494E+00 Pxc 0.7368492E+01 Qxc -0.4947011E+01 3,-1 107 3 -1 1.702192 2.981051 0.730857 Rho 0.1718531E+00 |GRAD(Rho)| 0.1760927E-15 GRAD(Rho)x -0.1720358E-15 GRAD(Rho)y -0.2131135E-16 GRAD(Rho)z 0.3095397E-16 Laplacian 0.7069903E+00 (-1/4)Del**2(Rho)) -0.1767476E+00 Diamond 0.1683170E+01 Metallicity 0.5177602E+01 Ellipticity 0.2883193E-01 Gb(Abramov) 0.2703532E+00 Vb(Abramov) -0.3639588E+00 Hb(Abramov) -0.9360559E-01 Ex_ueg -0.7056591E-01 Ec_ueg -0.9856808E-02 Delta_ex -0.7849757E-01 Delta_ec 0.1727393E-01 Delta_et -0.2337984E+00 Pxc 0.7159103E+01 Qxc -0.4544279E+01 3,-1 108 3 -1 2.692553 1.995060 0.558209 Rho 0.1436759E+00 |GRAD(Rho)| 0.1946700E-13 GRAD(Rho)x -0.5177458E-14 GRAD(Rho)y 0.1600117E-13 GRAD(Rho)z -0.9804101E-14 Laplacian 0.5914478E+00 (-1/4)Del**2(Rho)) -0.1478619E+00 Diamond 0.1135686E+01 Metallicity 0.4592015E+01 Ellipticity 0.2950576E-01 Gb(Abramov) 0.2117387E+00 Vb(Abramov) -0.2756154E+00 Hb(Abramov) -0.6387672E-01 Ex_ueg -0.5557723E-01 Ec_ueg -0.8039917E-02 Delta_ex -0.6282302E-01 Delta_ec 0.1512074E-01 Delta_et -0.1999530E+00 Pxc 0.6912663E+01 Qxc -0.4154758E+01 3,-1 109 3 -1 2.231124 -0.780067 3.054988 Rho 0.1008477E+00 |GRAD(Rho)| 0.1429053E-14 GRAD(Rho)x -0.1096759E-14 GRAD(Rho)y -0.3717119E-15 GRAD(Rho)z 0.8373429E-15 Laplacian 0.4189659E+00 (-1/4)Del**2(Rho)) -0.1047415E+00 Diamond 0.5403455E+00 Metallicity 0.3593724E+01 Ellipticity 0.2455355E-01 Gb(Abramov) 0.1325630E+00 Vb(Abramov) -0.1603845E+00 Hb(Abramov) -0.2782150E-01 Ex_ueg -0.3466889E-01 Ec_ueg -0.5376433E-02 Delta_ex -0.4114541E-01 Delta_ec 0.1208187E-01 Delta_et -0.1508541E+00 Pxc 0.6448306E+01 Qxc -0.3405550E+01 3,-1 110 3 -1 1.809309 -0.548638 1.671956 Rho 0.3612879E-01 |GRAD(Rho)| 0.7069210E-16 GRAD(Rho)x -0.5892893E-16 GRAD(Rho)y -0.3257551E-16 GRAD(Rho)z -0.2153115E-16 Laplacian 0.1474547E+00 (-1/4)Del**2(Rho)) -0.3686368E-01 Diamond 0.5009170E-01 Metallicity 0.1845200E+01 Ellipticity 0.7016575E-01 Gb(Abramov) 0.3591259E-01 Vb(Abramov) -0.3496151E-01 Hb(Abramov) 0.9510828E-03 Ex_ueg -0.8821103E-02 Ec_ueg -0.1663859E-02 Delta_ex -0.1133013E-01 Delta_ec 0.4644911E-02 Delta_et -0.4491716E-01 Pxc 0.5301594E+01 Qxc -0.2439257E+01 3,-1 111 3 -1 2.190813 0.706127 -2.914680 Rho 0.1888717E+00 |GRAD(Rho)| 0.4179342E-15 GRAD(Rho)x -0.3046066E-15 GRAD(Rho)y 0.9879792E-16 GRAD(Rho)z -0.2685569E-15 Laplacian 0.7118685E+00 (-1/4)Del**2(Rho)) -0.1779671E+00 Diamond 0.1900277E+01 Metallicity 0.6018545E+01 Ellipticity 0.4677732E-01 Gb(Abramov) 0.2971620E+00 Vb(Abramov) -0.4163568E+00 Hb(Abramov) -0.1191948E+00 Ex_ueg -0.8003395E-01 Ec_ueg -0.1097678E-01 Delta_ex -0.8095584E-01 Delta_ec 0.1699086E-01 Delta_et -0.2323164E+00 Pxc 0.7291204E+01 Qxc -0.4764670E+01 3,-1 112 3 -1 2.985740 2.230677 -0.738326 Rho 0.8142286E-01 |GRAD(Rho)| 0.3255894E-14 GRAD(Rho)x -0.1908941E-14 GRAD(Rho)y 0.1746223E-14 GRAD(Rho)z 0.1976738E-14 Laplacian 0.3260224E+00 (-1/4)Del**2(Rho)) -0.8150559E-01 Diamond 0.3143233E+00 Metallicity 0.3233030E+01 Ellipticity 0.1021468E-01 Gb(Abramov) 0.9825540E-01 Vb(Abramov) -0.1150052E+00 Hb(Abramov) -0.1674981E-01 Ex_ueg -0.2606435E-01 Ec_ueg -0.4214215E-02 Delta_ex -0.3026294E-01 Delta_ec 0.9420607E-02 Delta_et -0.1120015E+00 Pxc 0.6184865E+01 Qxc -0.3212419E+01 3,-1 113 3 -1 2.920597 -3.331280 -0.132456 Rho 0.2292767E+00 |GRAD(Rho)| 0.5094205E-08 GRAD(Rho)x 0.3598729E-08 GRAD(Rho)y -0.3477703E-08 GRAD(Rho)z -0.9516612E-09 Laplacian 0.8590641E+00 (-1/4)Del**2(Rho)) -0.2147660E+00 Diamond 0.2864019E+01 Metallicity 0.6889494E+01 Ellipticity 0.2338851E-01 Gb(Abramov) 0.3897822E+00 Vb(Abramov) -0.5647984E+00 Hb(Abramov) -0.1750162E+00 Ex_ueg -0.1036410E+00 Ec_ueg -0.1370099E-01 Delta_ex -0.1024980E+00 Delta_ec 0.1911610E-01 Delta_et -0.2638169E+00 Pxc 0.7564489E+01 Qxc -0.5361870E+01 3,-1 114 3 -1 2.839144 -0.482795 -1.792389 Rho 0.1760487E+00 |GRAD(Rho)| 0.1021504E-14 GRAD(Rho)x 0.5180454E-17 GRAD(Rho)y 0.9957313E-15 GRAD(Rho)z -0.2279535E-15 Laplacian 0.7429331E+00 (-1/4)Del**2(Rho)) -0.1857333E+00 Diamond 0.1779147E+01 Metallicity 0.5129223E+01 Ellipticity 0.4184024E-01 Gb(Abramov) 0.2826001E+00 Vb(Abramov) -0.3794669E+00 Hb(Abramov) -0.9686680E-01 Ex_ueg -0.7287226E-01 Ec_ueg -0.1013137E-01 Delta_ex -0.8265415E-01 Delta_ec 0.1744102E-01 Delta_et -0.2349581E+00 Pxc 0.7192734E+01 Qxc -0.4739065E+01 3,-1 115 3 -1 3.100082 -0.871954 1.825291 Rho 0.1469105E+00 |GRAD(Rho)| 0.1513407E-14 GRAD(Rho)x -0.2571185E-15 GRAD(Rho)y 0.1184789E-14 GRAD(Rho)z 0.9058509E-15 Laplacian 0.5783278E+00 (-1/4)Del**2(Rho)) -0.1445819E+00 Diamond 0.1165944E+01 Metallicity 0.4873717E+01 Ellipticity 0.2910089E-01 Gb(Abramov) 0.2138299E+00 Vb(Abramov) -0.2830778E+00 Hb(Abramov) -0.6924792E-01 Ex_ueg -0.5725174E-01 Ec_ueg -0.8246033E-02 Delta_ex -0.6202496E-01 Delta_ec 0.1516800E-01 Delta_et -0.2022617E+00 Pxc 0.6942943E+01 Qxc -0.4089197E+01 3,-1 116 3 -1 3.518323 0.104287 2.985101 Rho 0.2131194E+00 |GRAD(Rho)| 0.3089467E-13 GRAD(Rho)x -0.2349379E-13 GRAD(Rho)y -0.5609499E-14 GRAD(Rho)z -0.1926280E-13 Laplacian 0.7925830E+00 (-1/4)Del**2(Rho)) -0.1981457E+00 Diamond 0.2431737E+01 Metallicity 0.6611096E+01 Ellipticity 0.2451088E-02 Gb(Abramov) 0.3504239E+00 Vb(Abramov) -0.5027021E+00 Hb(Abramov) -0.1522782E+00 Ex_ueg -0.9401903E-01 Ec_ueg -0.1260076E-01 Delta_ex -0.9286622E-01 Delta_ec 0.1814039E-01 Delta_et -0.2498840E+00 Pxc 0.7461376E+01 Qxc -0.5119307E+01 3,-1 117 3 -1 2.879769 0.648548 1.681249 Rho 0.1319572E+00 |GRAD(Rho)| 0.2065144E-11 GRAD(Rho)x 0.1719281E-12 GRAD(Rho)y 0.1488058E-11 GRAD(Rho)z -0.1421599E-11 Laplacian 0.5731999E+00 (-1/4)Del**2(Rho)) -0.1433000E+00 Diamond 0.1026830E+01 Metallicity 0.4111770E+01 Ellipticity 0.1290444E-01 Gb(Abramov) 0.1937361E+00 Vb(Abramov) -0.2441722E+00 Hb(Abramov) -0.5043609E-01 Ex_ueg -0.4961684E-01 Ec_ueg -0.7298723E-02 Delta_ex -0.6002956E-01 Delta_ec 0.1565910E-01 Delta_et -0.2057374E+00 Pxc 0.6798017E+01 Qxc -0.3833526E+01 3,-1 118 3 -1 3.261020 1.090692 -1.844297 Rho 0.1966795E+00 |GRAD(Rho)| 0.4388908E-15 GRAD(Rho)x -0.1514088E-15 GRAD(Rho)y -0.3659182E-15 GRAD(Rho)z -0.1892204E-15 Laplacian 0.7388069E+00 (-1/4)Del**2(Rho)) -0.1847017E+00 Diamond 0.2080560E+01 Metallicity 0.6204125E+01 Ellipticity 0.5245184E-01 Gb(Abramov) 0.3141199E+00 Vb(Abramov) -0.4435381E+00 Hb(Abramov) -0.1294182E+00 Ex_ueg -0.8447543E-01 Ec_ueg -0.1149611E-01 Delta_ex -0.8495765E-01 Delta_ec 0.1756636E-01 Delta_et -0.2414851E+00 Pxc 0.7348173E+01 Qxc -0.4836384E+01 3,-1 119 3 -1 3.588731 0.122661 -2.967488 Rho 0.2346856E+00 |GRAD(Rho)| 0.5732621E-08 GRAD(Rho)x 0.4142215E-08 GRAD(Rho)y -0.1279026E-08 GRAD(Rho)z -0.3750879E-08 Laplacian 0.8617297E+00 (-1/4)Del**2(Rho)) -0.2154324E+00 Diamond 0.2955209E+01 Metallicity 0.7140349E+01 Ellipticity 0.7097392E-02 Gb(Abramov) 0.3999987E+00 Vb(Abramov) -0.5845651E+00 Hb(Abramov) -0.1845663E+00 Ex_ueg -0.1069138E+00 Ec_ueg -0.1407252E-01 Delta_ex -0.1034453E+00 Delta_ec 0.1905039E-01 Delta_et -0.2631814E+00 Pxc 0.7597345E+01 Qxc -0.5430090E+01 3,-1 120 3 -1 -2.978291 2.174522 0.935720 Rho 0.1483609E+00 |GRAD(Rho)| 0.1845427E-14 GRAD(Rho)x 0.1047095E-14 GRAD(Rho)y 0.1187554E-14 GRAD(Rho)z -0.9481077E-15 Laplacian 0.5864791E+00 (-1/4)Del**2(Rho)) -0.1466198E+00 Diamond 0.1187004E+01 Metallicity 0.4885319E+01 Ellipticity 0.4160307E-01 Gb(Abramov) 0.2171273E+00 Vb(Abramov) -0.2876347E+00 Hb(Abramov) -0.7050747E-01 Ex_ueg -0.5800662E-01 Ec_ueg -0.8338669E-02 Delta_ex -0.6295496E-01 Delta_ec 0.1517515E-01 Delta_et -0.2022776E+00 Pxc 0.6956340E+01 Qxc -0.4148556E+01 3,-1 121 3 -1 -2.169867 -1.101435 -0.049338 Rho 0.4958151E-01 |GRAD(Rho)| 0.2305545E-11 GRAD(Rho)x -0.1955488E-11 GRAD(Rho)y -0.8327340E-12 GRAD(Rho)z 0.8933978E-12 Laplacian 0.1287162E+00 (-1/4)Del**2(Rho)) -0.3217905E-01 Diamond 0.9965562E-01 Metallicity 0.3582445E+01 Ellipticity 0.5380952E-02 Gb(Abramov) 0.4066598E-01 Vb(Abramov) -0.4915291E-01 Hb(Abramov) -0.8486928E-02 Ex_ueg -0.1345276E-01 Ec_ueg -0.2391754E-02 Delta_ex -0.1210448E-01 Delta_ec 0.6570578E-02 Delta_et -0.6989211E-01 Pxc 0.5624641E+01 Qxc -0.1842224E+01 3,-1 122 3 -1 -1.901925 -0.674628 2.666085 Rho 0.1151476E+00 |GRAD(Rho)| 0.3810492E-14 GRAD(Rho)x -0.7824281E-15 GRAD(Rho)y -0.3451381E-14 GRAD(Rho)z -0.1412665E-14 Laplacian 0.4907675E+00 (-1/4)Del**2(Rho)) -0.1226919E+00 Diamond 0.7500403E+00 Metallicity 0.3826738E+01 Ellipticity 0.4874347E-01 Gb(Abramov) 0.1600462E+00 Vb(Abramov) -0.1974005E+00 Hb(Abramov) -0.3735432E-01 Ex_ueg -0.4137374E-01 Ec_ueg -0.6251441E-02 Delta_ex -0.4981580E-01 Delta_ec 0.1392994E-01 Delta_et -0.1787626E+00 Pxc 0.6618274E+01 Qxc -0.3576168E+01 3,-1 123 3 -1 2.849374 -2.075414 0.720633 Rho 0.1070227E+00 |GRAD(Rho)| 0.1839814E-13 GRAD(Rho)x -0.1572124E-14 GRAD(Rho)y 0.5799431E-14 GRAD(Rho)z -0.1738927E-13 Laplacian 0.4268022E+00 (-1/4)Del**2(Rho)) -0.1067006E+00 Diamond 0.5671827E+00 Metallicity 0.3895048E+01 Ellipticity 0.1069387E-01 Gb(Abramov) 0.1404010E+00 Vb(Abramov) -0.1741014E+00 Hb(Abramov) -0.3370044E-01 Ex_ueg -0.3752777E-01 Ec_ueg -0.5752389E-02 Delta_ex -0.4211951E-01 Delta_ec 0.1147438E-01 Delta_et -0.1440867E+00 Pxc 0.6523858E+01 Qxc -0.3670746E+01 3,-1 124 3 -1 2.531354 -1.894534 -0.666206 Rho 0.9411598E-01 |GRAD(Rho)| 0.2198384E-14 GRAD(Rho)x -0.8378935E-15 GRAD(Rho)y -0.1585137E-14 GRAD(Rho)z 0.1272071E-14 Laplacian 0.3941208E+00 (-1/4)Del**2(Rho)) -0.9853019E-01 Diamond 0.4628480E+00 Metallicity 0.3404783E+01 Ellipticity 0.2722233E-01 Gb(Abramov) 0.1215991E+00 Vb(Abramov) -0.1446680E+00 Hb(Abramov) -0.2306892E-01 Ex_ueg -0.3161813E-01 Ec_ueg -0.4970019E-02 Delta_ex -0.3800657E-01 Delta_ec 0.1137733E-01 Delta_et -0.1398717E+00 Pxc 0.6361773E+01 Qxc -0.3340554E+01 3,-1 125 3 -1 3.007765 3.485393 0.151301 Rho 0.2342112E+00 |GRAD(Rho)| 0.5653489E-14 GRAD(Rho)x -0.1183624E-14 GRAD(Rho)y 0.4893872E-14 GRAD(Rho)z -0.2571185E-14 Laplacian 0.8420810E+00 (-1/4)Del**2(Rho)) -0.2105202E+00 Diamond 0.2899703E+01 Metallicity 0.7282359E+01 Ellipticity 0.1373831E-01 Gb(Abramov) 0.3958608E+00 Vb(Abramov) -0.5812014E+00 Hb(Abramov) -0.1853406E+00 Ex_ueg -0.1066257E+00 Ec_ueg -0.1403987E-01 Delta_ex -0.1011372E+00 Delta_ec 0.1881266E-01 Delta_et -0.2606763E+00 Pxc 0.7594495E+01 Qxc -0.5376021E+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 90 87 98 93 86 113 84 83 64 81 94 88 82 89 96 68 67 77 99 124 103 123 102 125 74 108 107 112 106 51 52 58 120 59 46 49 122 45 60 44 110 116 117 104 115 109 73 114 119 118 111 80 71 75 121 76 55 78 47 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 13 14 14 14 15 16 16 17 13 24 33 39 41 5 15 23 25 26 34 40 16 21 22 27 35 38 13 18 28 29 39 8 15 20 27 31 40 9 16 25 32 38 16 17 24 32 35 37 13 19 20 22 29 33 15 18 30 31 34 36 28 36 42 36 32 36 42 2.409224 1.926117 1.877635 1.984787 1.793242 1.760634 2.320197 1.801293 2.010214 1.812242 2.183959 2.398837 2.403499 1.749314 1.845781 2.038219 1.870242 2.020023 2.329272 2.091200 1.768615 2.063425 1.946718 1.753188 2.634362 1.933826 1.859374 2.160370 1.816978 1.795913 2.456247 1.927199 1.925601 1.906361 2.392168 1.969252 2.013450 2.041257 2.123412 1.785414 2.505217 1.789617 1.955578 2.099647 1.931749 2.073231 2.505468 1.846318 1.751434 1.817391 1.835394 1.744254 3.121434 1.667456 1.681305 1.733570 2.624757 1.744661 1.010076 2.411126 1.926280 1.877756 1.985240 1.793248 1.760660 2.321998 1.801313 2.010340 1.812265 2.184604 2.399177 2.405416 1.749325 1.846133 2.038484 1.870641 2.020693 2.330610 2.091380 1.768760 2.063952 1.947242 1.753201 2.636372 1.934100 1.859830 2.161169 1.817369 1.795918 2.457850 1.927310 1.925860 1.906578 2.394014 1.969998 2.013580 2.041687 2.123737 1.785431 2.506753 1.789625 1.955880 2.099819 1.932116 2.073793 2.507394 1.846509 1.751442 1.817698 1.835678 1.744279 3.171709 1.667488 1.685497 1.733649 2.625970 1.744716 1.010129 27 25 26 23 23 24 27 25 26 25 26 27 27 23 25 27 27 27 28 25 24 24 25 24 31 25 25 28 24 23 29 25 24 26 28 25 24 26 27 24 29 25 24 26 24 27 30 22 22 23 23 23 35 23 23 23 29 25 19 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 Ta O Ta W W W Ta O O Ta Ta W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H 2.2205 -0.8473 2.0568 2.4433 2.3354 2.3854 2.2176 -0.8428 -0.9537 2.2109 2.2039 2.4309 -1.1107 -0.9035 -1.0792 -1.1057 -0.8767 -0.9903 -0.9332 -1.0050 -0.8259 -0.9560 -0.9535 -1.0460 -1.0635 -0.9783 -0.9719 -0.8293 -1.0320 -0.8375 -0.9584 -1.0481 -1.0226 -0.9854 -0.9891 2.2184 -0.9244 -1.0241 -1.0315 -0.9344 -0.9439 0.2809 2.1093 1.9537 2.1546 2.1112 2.1418 2.1197 2.1073 1.9592 1.9426 2.1312 2.1191 2.0914 1.9283 1.9551 1.9354 1.9261 1.8694 1.9292 1.9425 1.9263 1.9597 1.9345 1.9363 1.9201 1.9200 1.9365 1.9319 1.9540 1.9331 1.9607 1.9480 1.9308 1.9373 1.9436 1.9402 0.8843 1.9441 1.9375 1.9346 1.9491 1.9434 0.5523 6.0738 4.8618 6.0947 6.0950 6.1163 6.1118 6.0772 4.8505 4.9844 6.0847 6.0767 6.1101 5.1490 4.9143 5.1102 5.1467 4.9786 5.0318 4.9637 5.0510 4.8326 4.9924 4.9915 5.1032 5.1206 5.0174 5.0088 4.8434 5.0733 4.8429 4.9749 5.0903 5.0551 5.0102 5.0198 1.3425 4.9529 5.0558 5.0673 4.9557 4.9736 0.1668 2.5644 0.0319 2.6624 3.3213 3.3776 3.3543 2.5658 0.0332 0.0267 2.5399 2.5667 3.3402 0.0333 0.0341 0.0336 0.0329 0.0286 0.0292 0.0270 0.0276 0.0336 0.0290 0.0257 0.0227 0.0229 0.0244 0.0312 0.0319 0.0257 0.0339 0.0354 0.0270 0.0302 0.0317 0.0291 10.5548 0.0273 0.0308 0.0296 0.0295 0.0270 0.0000 14.0321 0.0000 14.0315 14.0293 14.0288 14.0287 14.0321 0.0000 0.0000 14.0334 14.0337 14.0274 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 Ta O Ta W W W Ta O O Ta Ta W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H 2.295313 -0.904516 2.302550 2.498146 2.473147 2.470486 2.287660 -0.885870 -1.037800 2.367700 2.351010 2.426185 -1.111792 -0.939102 -1.095628 -1.119062 -0.712683 -0.988624 -1.014943 -1.018179 -0.869616 -0.978367 -1.043534 -1.064634 -1.078197 -1.074448 -0.978144 -0.903783 -1.044153 -0.883030 -0.945172 -1.053125 -1.018089 -0.982297 -0.992686 2.285144 -1.001453 -1.007186 -1.019671 -0.977128 -1.026068 0.011638 1.822853 -0.815157 1.847844 1.944688 1.944077 1.923928 1.811336 -0.793240 -0.968349 1.879858 1.842337 1.913539 -0.755346 -0.795706 -0.757696 -0.763583 -0.894660 -0.743530 -0.948672 -0.747413 -0.776950 -0.748400 -0.989867 -0.802454 -0.817040 -1.015224 -0.745981 -0.818098 -0.879858 -0.780722 -0.788751 -0.883766 -0.873630 -0.816500 -0.831008 1.725812 -0.916887 -0.845020 -0.841183 -0.827286 -0.954633 0.280339 1.971317 -0.792887 1.938566 2.045283 2.037827 2.012734 1.933699 -0.762837 -0.963743 1.983580 1.944540 2.019608 -0.825422 -0.802143 -0.838306 -0.834725 -0.918854 -0.832758 -0.923644 -0.845139 -0.741633 -0.824575 -0.987692 -0.912834 -0.922069 -1.009402 -0.822773 -0.824460 -0.939884 -0.769293 -0.802216 -0.927621 -0.896914 -0.847658 -0.885558 1.714689 -0.912973 -0.872201 -0.894890 -0.859345 -0.956747 0.349350 -9.72028256 -19.05690885 -15.91952034 26.66609825 7.95290839 49.29066147 18.82270275 9.46163041 62.38448117 -17.41453880 -288.6273 335.1969 -22.1114 -338.9502 -60.7057 -375.1976 Jun20-2024 03:40:27 Nodes: 1 Procs: 1 Jun20-2024 03:40:28 Nodes: 1 Procs: 1 0 Jun20-2024 03:40:31 Nodes: 1 Procs: 1 Jun20-2024 03:40:33 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 03:40:35 Nodes: 1 Procs: 1 Jun20-2024 03:40:37 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 03:40:41 Nodes: 1 Procs: 1 Jun20-2024 03:40:43 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 03:40:46 Nodes: 1 Procs: 1 Jun20-2024 03:40:48 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 03:40:52 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -13.28451137 -13.56943198 -13.58610264 -13.57251265 -13.66082529 -13.71041998 -13.73085303 -13.74452335 -13.75334362 -13.76135539 -13.76493665 -13.76827971 -13.76966012 -13.77016345 -13.77138284 -13.77168859 -13.77201053 -13.77264562 -13.77278845 -13.77324015 -13.77341749 -13.77355675 -13.77378382 -13.77382672 -13.77394945 -13.77398477 -13.77399677 -13.77392404 -13.77399403 -13.77536464 -13.77663567 -13.77830835 -13.77442416 -13.78341204 -13.78408397 -13.78548008 -13.78637259 -13.78688788 -13.78724226 -13.78745711 -13.78769885 -13.78787497 -13.78799200 -13.78807035 -13.78809969 -13.78811660 -13.78815620 -13.78818393 -13.78820174 -13.78825100 -13.78825988 GEOMETRY CONVERGED