ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:43:27 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 2.31 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 06:43:27 Nodes: 1 Procs: 1 Jun20-2024 06:43:29 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:43:32 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.54 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 06:43:27 Nodes: 1 Procs: 1 Jun20-2024 06:43:29 Nodes: 1 Procs: 1 0 Jun20-2024 06:43:32 Nodes: 1 Procs: 1 Jun20-2024 06:43:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:43:38 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.04 1.33 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 06:43:27 Nodes: 1 Procs: 1 Jun20-2024 06:43:29 Nodes: 1 Procs: 1 0 Jun20-2024 06:43:32 Nodes: 1 Procs: 1 Jun20-2024 06:43:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:43:38 Nodes: 1 Procs: 1 Jun20-2024 06:43:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:43:41 Arsenic (TZP, 3p frozen) c10-43 c10-43 c10-43 c10-43 c10-43 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.27 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 06:43:27 Nodes: 1 Procs: 1 Jun20-2024 06:43:29 Nodes: 1 Procs: 1 0 Jun20-2024 06:43:32 Nodes: 1 Procs: 1 Jun20-2024 06:43:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:43:38 Nodes: 1 Procs: 1 Jun20-2024 06:43:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 06:43:41 Nodes: 1 Procs: 1 Jun20-2024 06:43:44 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:43:48 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2906.517100000006 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288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 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 -5.679 -5.648 -5.630 -5.604 -5.585 -5.568 -5.536 -5.502 -5.308 -5.283 -2.340 -2.174 -1.942 -1.790 -1.766 -1.668 -1.607 -1.474 -1.430 -1.384 A A A A A A A A A A A A A A A A A A A A 0.00000000063752 0.00052258881627 0.00034152671909 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 74 74 74 74 74 74 74 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 8 8 8 8 8 8 8 8 8 33 0.121641 -2.562094 2.567569 -0.077206 -2.552319 -2.594995 0.106951 2.583826 -2.595961 -0.104140 2.571474 2.553649 -2.553332 -2.567415 -0.133134 -2.564617 0.119090 2.550344 2.571067 -0.098407 2.547749 2.582151 -2.581733 0.083935 2.601050 2.595674 -0.149488 -2.587569 2.585498 0.076786 -2.596681 -0.085214 -2.580893 2.632893 0.124463 -2.585696 0.996131 -0.975537 0.981840 -0.975285 -0.980996 -0.981098 0.993899 0.984335 -0.985884 -0.985323 0.988346 0.974199 -3.008504 -1.155651 1.161036 3.099388 -1.214460 -1.208233 -3.131493 1.200960 -1.191677 3.060327 1.155303 1.229049 1.151062 -1.225728 -3.085394 1.120175 1.104781 3.011839 -1.156639 1.205971 -3.062109 -1.144463 -1.138689 2.991566 -1.142743 3.062395 -1.196093 -1.156058 -2.996179 1.168346 1.152378 3.032302 1.232045 1.108991 -3.065458 -1.176905 3.438775 -1.520035 1.604882 -3.469274 -1.573474 -1.469188 3.523305 1.558225 -1.546672 -3.457107 1.495076 1.586399 1.487237 -1.522666 3.451457 1.486889 1.565939 -3.460879 -1.513698 1.480174 3.447593 -1.518857 -1.598271 -3.426650 -1.529940 -3.446171 -1.485246 -1.499273 3.445150 1.612748 1.466544 -3.465034 1.586932 1.488859 3.478220 -1.557170 -0.265996 -3.738055 3.803689 0.200259 -3.822049 -3.769678 -0.225707 3.804553 -3.807792 0.232722 3.712062 3.838750 3.796850 -3.871056 -0.176096 3.804203 3.868255 0.216544 -3.806573 3.872387 -0.174671 -3.739387 -3.792582 0.253473 -3.825745 0.170914 -3.856601 -3.745298 -0.256700 3.785007 3.720248 0.218919 3.829267 3.826418 -0.186864 -3.883862 0.010398 0.007944 -0.004529 1 3 -3 0.121641 -2.562094 2.567569 Rho 0.4361414E+07 3,-3 2 3 -3 -0.077206 -2.552319 -2.594995 Rho 0.4361415E+07 3,-3 3 3 -3 0.106951 2.583826 -2.595961 Rho 0.4361415E+07 3,-3 4 3 -3 -0.104140 2.571474 2.553649 Rho 0.4361415E+07 3,-3 5 3 -3 -2.553332 -2.567415 -0.133134 Rho 0.4361414E+07 3,-3 6 3 -3 -2.564617 0.119090 2.550344 Rho 0.4361414E+07 3,-3 7 3 -3 2.571067 -0.098407 2.547749 Rho 0.4361414E+07 3,-3 8 3 -3 2.582151 -2.581733 0.083935 Rho 0.3882646E+07 3,-3 9 3 -3 2.601050 2.595674 -0.149488 Rho 0.3882646E+07 3,-3 10 3 -3 -2.587569 2.585498 0.076786 Rho 0.3882646E+07 3,-3 11 3 -3 -2.596681 -0.085214 -2.580893 Rho 0.3882646E+07 3,-3 12 3 -3 2.632893 0.124463 -2.585696 Rho 0.3882646E+07 3,-3 13 3 -3 0.996131 -0.975537 0.981840 Rho 0.3190108E+03 3,-3 14 3 -3 -0.975285 -0.980996 -0.981098 Rho 0.3190222E+03 3,-3 15 3 -3 0.993899 0.984335 -0.985884 Rho 0.3190223E+03 3,-3 16 3 -3 -0.985323 0.988346 0.974199 Rho 0.3190126E+03 3,-3 17 3 -3 -3.008504 -1.155651 1.161036 Rho 0.3188553E+03 3,-3 18 3 -3 3.099388 -1.214460 -1.208233 Rho 0.3188154E+03 3,-3 19 3 -3 -3.131493 1.200960 -1.191677 Rho 0.3188219E+03 3,-3 20 3 -3 3.060327 1.155303 1.229049 Rho 0.3188632E+03 3,-3 21 3 -3 1.151062 -1.225728 -3.085394 Rho 0.3188707E+03 3,-3 22 3 -3 1.120175 1.104781 3.011839 Rho 0.3188600E+03 3,-3 23 3 -3 -1.156639 1.205971 -3.062109 Rho 0.3188345E+03 3,-3 24 3 -3 -1.144463 -1.138689 2.991566 Rho 0.3188655E+03 3,-3 25 3 -3 -1.142743 3.062395 -1.196093 Rho 0.3188351E+03 3,-3 26 3 -3 -1.156058 -2.996179 1.168346 Rho 0.3188570E+03 3,-3 27 3 -3 1.152378 3.032302 1.232045 Rho 0.3188683E+03 3,-3 28 3 -3 1.108991 -3.065458 -1.176905 Rho 0.3188432E+03 3,-3 29 3 -3 3.438775 -1.520035 1.604882 Rho 0.3189129E+03 3,-3 30 3 -3 -3.469274 -1.573474 -1.469188 Rho 0.3189205E+03 3,-3 31 3 -3 3.523305 1.558225 -1.546672 Rho 0.3188631E+03 3,-3 32 3 -3 -3.457107 1.495076 1.586399 Rho 0.3189226E+03 3,-3 33 3 -3 1.487237 -1.522666 3.451457 Rho 0.3189304E+03 3,-3 34 3 -3 1.486889 1.565939 -3.460879 Rho 0.3189043E+03 3,-3 35 3 -3 -1.513698 1.480174 3.447593 Rho 0.3189284E+03 3,-3 36 3 -3 -1.518857 -1.598271 -3.426650 Rho 0.3189113E+03 3,-3 37 3 -3 -1.529940 -3.446171 -1.485246 Rho 0.3189372E+03 3,-3 38 3 -3 -1.499273 3.445150 1.612748 Rho 0.3189269E+03 3,-3 39 3 -3 1.466544 -3.465034 1.586932 Rho 0.3189329E+03 3,-3 40 3 -3 1.488859 3.478220 -1.557170 Rho 0.3188914E+03 3,-3 41 3 -3 -0.265996 -3.738055 3.803689 Rho 0.3192569E+03 3,-3 42 3 -3 0.200259 -3.822049 -3.769678 Rho 0.3192439E+03 3,-3 43 3 -3 -0.225707 3.804553 -3.807792 Rho 0.3192397E+03 3,-3 44 3 -3 0.232722 3.712062 3.838750 Rho 0.3192506E+03 3,-3 45 3 -3 3.796850 -3.871056 -0.176096 Rho 0.3191212E+03 3,-3 46 3 -3 3.804203 3.868255 0.216544 Rho 0.3191268E+03 3,-3 47 3 -3 -3.806573 3.872387 -0.174671 Rho 0.3191209E+03 3,-3 48 3 -3 -3.739387 -3.792582 0.253473 Rho 0.3192633E+03 3,-3 49 3 -3 -3.825745 0.170914 -3.856601 Rho 0.3191220E+03 3,-3 50 3 -3 -3.745298 -0.256700 3.785007 Rho 0.3192598E+03 3,-3 51 3 -3 3.720248 0.218919 3.829267 Rho 0.3192544E+03 3,-3 52 3 -3 3.826418 -0.186864 -3.883862 Rho 0.3191180E+03 3,-3 53 3 -3 0.010398 0.007944 -0.004529 Rho 0.4276083E+05 3,-3 54 3 +1 -2.979694 0.126854 0.099265 Rho 0.5081217E-02 |GRAD(Rho)| 0.2349833E-13 GRAD(Rho)x -0.6102161E-14 GRAD(Rho)y 0.1579048E-13 GRAD(Rho)z 0.1629712E-13 Laplacian 0.1986568E-01 (-1/4)Del**2(Rho)) -0.4966421E-02 Diamond 0.4838541E-03 Metallicity 0.5209418E+00 Ellipticity -0.6065665E+01 Gb(Abramov) 0.3742150E-02 Vb(Abramov) -0.2517879E-02 Hb(Abramov) 0.1224271E-02 Ex_ueg -0.6451718E-03 Ec_ueg -0.1504096E-03 Delta_ex -0.1000269E-02 Delta_ec 0.6424962E-03 Delta_et -0.3499379E-02 Pxc 0.4289433E+01 Qxc -0.1556849E+01 3,+1 55 3 +3 -2.354078 0.022710 -0.034336 Rho 0.4310676E-02 |GRAD(Rho)| 0.8204744E-15 GRAD(Rho)x -0.6460429E-15 GRAD(Rho)y -0.2074950E-15 GRAD(Rho)z 0.4612513E-15 Laplacian 0.1712290E-01 (-1/4)Del**2(Rho)) -0.4280724E-02 Diamond 0.1334395E-03 Metallicity 0.4594923E+00 Ellipticity -0.2531134E+00 Gb(Abramov) 0.3181643E-02 Vb(Abramov) -0.2082561E-02 Hb(Abramov) 0.1099081E-02 Ex_ueg -0.5181382E-03 Ec_ueg -0.1173701E-03 Delta_ex -0.6083735E-03 Delta_ec 0.1478094E-03 Delta_et -0.9280956E-03 Pxc 0.4414568E+01 Qxc -0.4115933E+01 3,+3 56 3 -1 -1.728101 -1.737456 -0.544528 Rho 0.4683603E-01 |GRAD(Rho)| 0.4428253E-12 GRAD(Rho)x 0.4159171E-12 GRAD(Rho)y 0.3991409E-13 GRAD(Rho)z 0.1466767E-12 Laplacian 0.1897174E+00 (-1/4)Del**2(Rho)) -0.4742936E-01 Diamond 0.8736362E-01 Metallicity 0.2210410E+01 Ellipticity 0.1403327E-01 Gb(Abramov) 0.4909262E-01 Vb(Abramov) -0.5075589E-01 Hb(Abramov) -0.1663266E-02 Ex_ueg -0.1246882E-01 Ec_ueg -0.2240742E-02 Delta_ex -0.1533210E-01 Delta_ec 0.5602553E-02 Delta_et -0.5806071E-01 Pxc 0.5564591E+01 Qxc -0.2736627E+01 3,-1 57 3 +1 -1.666523 -0.532823 0.530634 Rho 0.8611917E-02 |GRAD(Rho)| 0.1084473E-16 GRAD(Rho)x -0.7427711E-17 GRAD(Rho)y -0.2889071E-17 GRAD(Rho)z 0.7354622E-17 Laplacian 0.3356673E-01 (-1/4)Del**2(Rho)) -0.8391684E-02 Diamond 0.8983230E-03 Metallicity 0.7427975E+00 Ellipticity -0.1444736E+01 Gb(Abramov) 0.6633343E-02 Vb(Abramov) -0.4875002E-02 Hb(Abramov) 0.1758341E-02 Ex_ueg -0.1303722E-02 Ec_ueg -0.3055133E-03 Delta_ex -0.1533249E-02 Delta_ec 0.4710034E-03 Delta_et -0.3221518E-02 Pxc 0.4267314E+01 Qxc -0.3255283E+01 3,+1 58 3 +1 -1.717977 0.556609 -0.565212 Rho 0.7623065E-02 |GRAD(Rho)| 0.5005373E-13 GRAD(Rho)x 0.1310621E-13 GRAD(Rho)y -0.2933780E-13 GRAD(Rho)z 0.3837834E-13 Laplacian 0.2808190E-01 (-1/4)Del**2(Rho)) -0.7020474E-02 Diamond 0.6209748E-03 Metallicity 0.7245518E+00 Ellipticity -0.1430897E+01 Gb(Abramov) 0.5528099E-02 Vb(Abramov) -0.4035724E-02 Hb(Abramov) 0.1492375E-02 Ex_ueg -0.1108046E-02 Ec_ueg -0.2614836E-03 Delta_ex -0.1235677E-02 Delta_ec 0.3793481E-03 Delta_et -0.2526647E-02 Pxc 0.4237536E+01 Qxc -0.3257369E+01 3,+1 59 3 -1 -1.747326 1.747472 0.510549 Rho 0.4162416E-01 |GRAD(Rho)| 0.2980630E-16 GRAD(Rho)x 0.2494681E-16 GRAD(Rho)y -0.1207276E-16 GRAD(Rho)z 0.1096908E-16 Laplacian 0.1781691E+00 (-1/4)Del**2(Rho)) -0.4454227E-01 Diamond 0.7577250E-01 Metallicity 0.1933555E+01 Ellipticity 0.1138568E-01 Gb(Abramov) 0.4404901E-01 Vb(Abramov) -0.4355574E-01 Hb(Abramov) 0.4932649E-03 Ex_ueg -0.1065399E-01 Ec_ueg -0.1957408E-02 Delta_ex -0.1430432E-01 Delta_ec 0.5844333E-02 Delta_et -0.5878268E-01 Pxc 0.5442909E+01 Qxc -0.2447555E+01 3,-1 60 3 +1 -2.984021 -0.104834 -0.131463 Rho 0.5072639E-02 |GRAD(Rho)| 0.2219711E-15 GRAD(Rho)x 0.1916897E-15 GRAD(Rho)y -0.9212923E-16 GRAD(Rho)z -0.6354871E-16 Laplacian 0.1986879E-01 (-1/4)Del**2(Rho)) -0.4967196E-02 Diamond 0.4715688E-03 Metallicity 0.5193958E+00 Ellipticity -0.4220357E+01 Gb(Abramov) 0.3741455E-02 Vb(Abramov) -0.2515713E-02 Hb(Abramov) 0.1225742E-02 Ex_ueg -0.6437200E-03 Ec_ueg -0.1500401E-03 Delta_ex -0.9898425E-03 Delta_ec 0.6242795E-03 Delta_et -0.3405631E-02 Pxc 0.4290320E+01 Qxc -0.1585576E+01 3,+1 61 3 +1 -1.166070 1.286960 2.185276 Rho 0.2781670E-01 |GRAD(Rho)| 0.1017490E-15 GRAD(Rho)x 0.9528808E-16 GRAD(Rho)y 0.2319546E-16 GRAD(Rho)z 0.2711107E-16 Laplacian 0.1119309E+00 (-1/4)Del**2(Rho)) -0.2798273E-01 Diamond 0.1789490E-01 Metallicity 0.1572193E+01 Ellipticity -0.5828526E+01 Gb(Abramov) 0.2598753E-01 Vb(Abramov) -0.2399233E-01 Hb(Abramov) 0.1995203E-02 Ex_ueg -0.6224807E-02 Ec_ueg -0.1231550E-02 Delta_ex -0.7251809E-02 Delta_ec 0.2056936E-02 Delta_et -0.1860907E-01 Pxc 0.5054449E+01 Qxc -0.3525540E+01 3,+1 62 3 -1 -3.025403 0.853407 2.024994 Rho 0.1589790E+00 |GRAD(Rho)| 0.5684112E-15 GRAD(Rho)x 0.2627835E-15 GRAD(Rho)y -0.3804465E-15 GRAD(Rho)z 0.3306003E-15 Laplacian 0.6227139E+00 (-1/4)Del**2(Rho)) -0.1556785E+00 Diamond 0.1346145E+01 Metallicity 0.5162865E+01 Ellipticity 0.4045560E-01 Gb(Abramov) 0.2377435E+00 Vb(Abramov) -0.3198085E+00 Hb(Abramov) -0.8206500E-01 Ex_ueg -0.6360696E-01 Ec_ueg -0.9020754E-02 Delta_ex -0.6777492E-01 Delta_ec 0.1545522E-01 Delta_et -0.2070580E+00 Pxc 0.7051181E+01 Qxc -0.4385244E+01 3,-1 63 3 +1 -1.802725 1.786837 -1.782082 Rho 0.1141033E-01 |GRAD(Rho)| 0.4831032E-16 GRAD(Rho)x 0.2855736E-16 GRAD(Rho)y 0.3372427E-16 GRAD(Rho)z -0.1952019E-16 Laplacian 0.5307530E-01 (-1/4)Del**2(Rho)) -0.1326883E-01 Diamond 0.1874115E-02 Metallicity 0.7508458E+00 Ellipticity -0.1243301E+01 Gb(Abramov) 0.1050636E-01 Vb(Abramov) -0.7743889E-02 Hb(Abramov) 0.2762468E-02 Ex_ueg -0.1897212E-02 Ec_ueg -0.4324165E-03 Delta_ex -0.2540302E-02 Delta_ec 0.6278472E-03 Delta_et -0.4698161E-02 Pxc 0.4387464E+01 Qxc -0.4046051E+01 3,+1 64 3 -1 -3.033394 2.002661 0.873211 Rho 0.1060524E+00 |GRAD(Rho)| 0.9956373E-14 GRAD(Rho)x 0.2979313E-14 GRAD(Rho)y 0.5457013E-14 GRAD(Rho)z -0.7776508E-14 Laplacian 0.4363780E+00 (-1/4)Del**2(Rho)) -0.1090945E+00 Diamond 0.6024165E+00 Metallicity 0.3752189E+01 Ellipticity 0.4824124E-02 Gb(Abramov) 0.1409535E+00 Vb(Abramov) -0.1728126E+00 Hb(Abramov) -0.3185903E-01 Ex_ueg -0.3707484E-01 Ec_ueg -0.5693123E-02 Delta_ex -0.4342811E-01 Delta_ec 0.1257036E-01 Delta_et -0.1587031E+00 Pxc 0.6512214E+01 Qxc -0.3454802E+01 3,-1 65 3 +1 -2.198125 1.439129 1.038568 Rho 0.2568882E-01 |GRAD(Rho)| 0.1468094E-16 GRAD(Rho)x 0.2389280E-17 GRAD(Rho)y 0.1137244E-16 GRAD(Rho)z -0.8971558E-17 Laplacian 0.9840912E-01 (-1/4)Del**2(Rho)) -0.2460228E-01 Diamond 0.1168107E-01 Metallicity 0.1566095E+01 Ellipticity -0.2428181E+01 Gb(Abramov) 0.2282310E-01 Vb(Abramov) -0.2104393E-01 Hb(Abramov) 0.1779177E-02 Ex_ueg -0.5598141E-02 Ec_ueg -0.1123457E-02 Delta_ex -0.5989130E-02 Delta_ec 0.1355664E-02 Delta_et -0.1211311E-01 Pxc 0.4982959E+01 Qxc -0.4417856E+01 3,+1 66 3 -1 -2.871244 0.597313 -1.839427 Rho 0.1301833E+00 |GRAD(Rho)| 0.3412063E-14 GRAD(Rho)x 0.7754621E-15 GRAD(Rho)y -0.2232643E-14 GRAD(Rho)z -0.2460922E-14 Laplacian 0.5533030E+00 (-1/4)Del**2(Rho)) -0.1383258E+00 Diamond 0.9688748E+00 Metallicity 0.4164620E+01 Ellipticity 0.1870524E-01 Gb(Abramov) 0.1882295E+00 Vb(Abramov) -0.2381333E+00 Hb(Abramov) -0.4990377E-01 Ex_ueg -0.4872949E-01 Ec_ueg -0.7187300E-02 Delta_ex -0.5768253E-01 Delta_ec 0.1502782E-01 Delta_et -0.1967468E+00 Pxc 0.6779945E+01 Qxc -0.3838383E+01 3,-1 67 3 +3 -1.109361 -1.106039 1.098395 Rho 0.5152557E-02 |GRAD(Rho)| 0.2151784E-14 GRAD(Rho)x 0.1152579E-14 GRAD(Rho)y 0.1107783E-14 GRAD(Rho)z -0.1440331E-14 Laplacian 0.2024277E-01 (-1/4)Del**2(Rho)) -0.5060692E-02 Diamond 0.1489579E-03 Metallicity 0.5232565E+00 Ellipticity -0.5629718E-01 Gb(Abramov) 0.3815134E-02 Vb(Abramov) -0.2569577E-02 Hb(Abramov) 0.1245557E-02 Ex_ueg -0.6572775E-03 Ec_ueg -0.1534838E-03 Delta_ex -0.7067137E-03 Delta_ec 0.9180315E-04 Delta_et -0.7229282E-03 Pxc 0.4282389E+01 Qxc -0.7698142E+01 3,+3 68 3 +1 0.550464 -1.685999 -0.524271 Rho 0.8378757E-02 |GRAD(Rho)| 0.3768649E-14 GRAD(Rho)x 0.1441562E-14 GRAD(Rho)y 0.2078524E-14 GRAD(Rho)z 0.2793627E-14 Laplacian 0.3197425E-01 (-1/4)Del**2(Rho)) -0.7993562E-02 Diamond 0.8197603E-03 Metallicity 0.7449242E+00 Ellipticity -0.1451251E+01 Gb(Abramov) 0.6321475E-02 Vb(Abramov) -0.4649387E-02 Hb(Abramov) 0.1672088E-02 Ex_ueg -0.1256872E-02 Ec_ueg -0.2950920E-03 Delta_ex -0.1448288E-02 Delta_ec 0.4448847E-03 Delta_et -0.3024572E-02 Pxc 0.4259256E+01 Qxc -0.3255424E+01 3,+1 69 3 -1 -3.044007 -0.870546 -1.986640 Rho 0.1066373E+00 |GRAD(Rho)| 0.9617642E-16 GRAD(Rho)x 0.6166400E-16 GRAD(Rho)y 0.3752695E-16 GRAD(Rho)z -0.6355458E-16 Laplacian 0.4393402E+00 (-1/4)Del**2(Rho)) -0.1098351E+00 Diamond 0.6108291E+00 Metallicity 0.3761208E+01 Ellipticity 0.5203127E-02 Gb(Abramov) 0.1420755E+00 Vb(Abramov) -0.1743158E+00 Hb(Abramov) -0.3224039E-01 Ex_ueg -0.3734770E-01 Ec_ueg -0.5728840E-02 Delta_ex -0.4378334E-01 Delta_ec 0.1264850E-01 Delta_et -0.1598744E+00 Pxc 0.6519243E+01 Qxc -0.3461543E+01 3,-1 70 3 -1 -2.783627 -0.560372 1.808084 Rho 0.1413581E+00 |GRAD(Rho)| 0.4906352E-15 GRAD(Rho)x -0.1593980E-15 GRAD(Rho)y -0.3178881E-15 GRAD(Rho)z -0.3380271E-15 Laplacian 0.5892308E+00 (-1/4)Del**2(Rho)) -0.1473077E+00 Diamond 0.1108232E+01 Metallicity 0.4486033E+01 Ellipticity 0.1367295E-01 Gb(Abramov) 0.2083430E+00 Vb(Abramov) -0.2693783E+00 Hb(Abramov) -0.6103530E-01 Ex_ueg -0.5438505E-01 Ec_ueg -0.7892627E-02 Delta_ex -0.6232526E-01 Delta_ec 0.1509906E-01 Delta_et -0.1991360E+00 Pxc 0.6890614E+01 Qxc -0.4127759E+01 3,-1 71 3 +1 -0.522052 -0.525537 1.654886 Rho 0.8848160E-02 |GRAD(Rho)| 0.5084538E-15 GRAD(Rho)x 0.1858630E-15 GRAD(Rho)y 0.3078077E-15 GRAD(Rho)z -0.3594922E-15 Laplacian 0.3457779E-01 (-1/4)Del**2(Rho)) -0.8644448E-02 Diamond 0.9695638E-03 Metallicity 0.7543464E+00 Ellipticity -0.1464432E+01 Gb(Abramov) 0.6849783E-02 Vb(Abramov) -0.5055119E-02 Hb(Abramov) 0.1794665E-02 Ex_ueg -0.1351623E-02 Ec_ueg -0.3160971E-03 Delta_ex -0.1594390E-02 Delta_ec 0.4924754E-03 Delta_et -0.3385977E-02 Pxc 0.4275975E+01 Qxc -0.3237502E+01 3,+1 72 3 +1 -1.754889 -1.746232 1.753150 Rho 0.1252473E-01 |GRAD(Rho)| 0.1183614E-16 GRAD(Rho)x -0.1484641E-17 GRAD(Rho)y 0.6513596E-17 GRAD(Rho)z 0.9770529E-17 Laplacian 0.6288370E-01 (-1/4)Del**2(Rho)) -0.1572092E-01 Diamond 0.2622793E-02 Metallicity 0.7402111E+00 Ellipticity -0.1242059E+01 Gb(Abramov) 0.1242008E-01 Vb(Abramov) -0.9119242E-02 Hb(Abramov) 0.3300841E-02 Ex_ueg -0.2148207E-02 Ec_ueg -0.4838461E-03 Delta_ex -0.3112696E-02 Delta_ec 0.7921854E-03 Delta_et -0.6020491E-02 Pxc 0.4439855E+01 Qxc -0.3929252E+01 3,+1 73 3 -1 -1.747347 -0.517511 -1.741644 Rho 0.4032459E-01 |GRAD(Rho)| 0.1033144E-15 GRAD(Rho)x -0.6224168E-16 GRAD(Rho)y 0.2243663E-16 GRAD(Rho)z -0.7935005E-16 Laplacian 0.1719347E+00 (-1/4)Del**2(Rho)) -0.4298367E-01 Diamond 0.6988859E-01 Metallicity 0.1900494E+01 Ellipticity 0.1313248E-01 Gb(Abramov) 0.4227081E-01 Vb(Abramov) -0.4155795E-01 Hb(Abramov) 0.7128590E-03 Ex_ueg -0.1021281E-01 Ec_ueg -0.1887484E-02 Delta_ex -0.1368920E-01 Delta_ec 0.5625509E-02 Delta_et -0.5608924E-01 Pxc 0.5410803E+01 Qxc -0.2433415E+01 3,-1 74 3 -1 -3.257409 0.051677 -3.266706 Rho 0.2128339E+00 |GRAD(Rho)| 0.3437182E-15 GRAD(Rho)x 0.3034682E-15 GRAD(Rho)y 0.4704082E-16 GRAD(Rho)z 0.1543904E-15 Laplacian 0.7957783E+00 (-1/4)Del**2(Rho)) -0.1989446E+00 Diamond 0.2434710E+01 Metallicity 0.6569856E+01 Ellipticity 0.3187319E-02 Gb(Abramov) 0.3504692E+00 Vb(Abramov) -0.5019939E+00 Hb(Abramov) -0.1515247E+00 Ex_ueg -0.9385113E-01 Ec_ueg -0.1258145E-01 Delta_ex -0.9319033E-01 Delta_ec 0.1818806E-01 Delta_et -0.2503969E+00 Pxc 0.7459484E+01 Qxc -0.5123708E+01 3,-1 75 3 -1 -3.027203 -2.025516 -0.845560 Rho 0.1596970E+00 |GRAD(Rho)| 0.3044382E-13 GRAD(Rho)x 0.1701056E-13 GRAD(Rho)y -0.2031962E-13 GRAD(Rho)z 0.1498601E-13 Laplacian 0.6240047E+00 (-1/4)Del**2(Rho)) -0.1560012E+00 Diamond 0.1357049E+01 Metallicity 0.5191026E+01 Ellipticity 0.3923585E-01 Gb(Abramov) 0.2389685E+00 Vb(Abramov) -0.3219357E+00 Hb(Abramov) -0.8296729E-01 Ex_ueg -0.6399028E-01 Ec_ueg -0.9067123E-02 Delta_ex -0.6799866E-01 Delta_ec 0.1548254E-01 Delta_et -0.2075752E+00 Pxc 0.7057396E+01 Qxc -0.4391959E+01 3,-1 76 3 -1 -0.044344 -2.959219 -0.023386 Rho 0.5586493E-02 |GRAD(Rho)| 0.1923611E-16 GRAD(Rho)x 0.2213392E-17 GRAD(Rho)y 0.1909682E-16 GRAD(Rho)z -0.6636112E-18 Laplacian 0.2208967E-01 (-1/4)Del**2(Rho)) -0.5522417E-02 Diamond 0.6776893E-03 Metallicity 0.5486845E+00 Ellipticity 0.2993451E+01 Gb(Abramov) 0.4186622E-02 Vb(Abramov) -0.2850827E-02 Hb(Abramov) 0.1335795E-02 Ex_ueg -0.7321005E-03 Ec_ueg -0.1722386E-03 Delta_ex -0.1186063E-02 Delta_ec 0.8095505E-03 Delta_et -0.4499836E-02 Pxc 0.4250501E+01 Qxc -0.1465088E+01 3,-1 77 3 -1 -2.778026 -1.814768 0.554588 Rho 0.1306079E+00 |GRAD(Rho)| 0.2299580E-14 GRAD(Rho)x 0.1839254E-14 GRAD(Rho)y -0.1240937E-14 GRAD(Rho)z -0.6043885E-15 Laplacian 0.5435377E+00 (-1/4)Del**2(Rho)) -0.1358844E+00 Diamond 0.9309922E+00 Metallicity 0.4262514E+01 Ellipticity 0.9045919E-02 Gb(Abramov) 0.1871245E+00 Vb(Abramov) -0.2383646E+00 Hb(Abramov) -0.5124007E-01 Ex_ueg -0.4894154E-01 Ec_ueg -0.7213953E-02 Delta_ex -0.5641498E-01 Delta_ec 0.1422691E-01 Delta_et -0.1854118E+00 Pxc 0.6784289E+01 Qxc -0.3965372E+01 3,-1 78 3 -1 -3.202254 -0.083040 3.217209 Rho 0.2363502E+00 |GRAD(Rho)| 0.1972849E-13 GRAD(Rho)x 0.1467722E-13 GRAD(Rho)y 0.2329923E-14 GRAD(Rho)z -0.1297551E-13 Laplacian 0.8682054E+00 (-1/4)Del**2(Rho)) -0.2170514E+00 Diamond 0.3009822E+01 Metallicity 0.7171068E+01 Ellipticity 0.2468612E-02 Gb(Abramov) 0.4041159E+00 Vb(Abramov) -0.5911804E+00 Hb(Abramov) -0.1870645E+00 Ex_ueg -0.1079260E+00 Ec_ueg -0.1418717E-01 Delta_ex -0.1044529E+00 Delta_ec 0.1922123E-01 Delta_et -0.2659046E+00 Pxc 0.7607296E+01 Qxc -0.5434247E+01 3,-1 79 3 -1 -1.738920 0.542666 1.726329 Rho 0.4669857E-01 |GRAD(Rho)| 0.3805056E-14 GRAD(Rho)x 0.1860647E-14 GRAD(Rho)y -0.2454774E-14 GRAD(Rho)z 0.2233949E-14 Laplacian 0.1891773E+00 (-1/4)Del**2(Rho)) -0.4729433E-01 Diamond 0.8664496E-01 Metallicity 0.2205888E+01 Ellipticity 0.1545666E-01 Gb(Abramov) 0.4891722E-01 Vb(Abramov) -0.5054011E-01 Hb(Abramov) -0.1622889E-02 Ex_ueg -0.1242005E-01 Ec_ueg -0.2233213E-02 Delta_ex -0.1527139E-01 Delta_ec 0.5576398E-02 Delta_et -0.5774261E-01 Pxc 0.5561516E+01 Qxc -0.2738575E+01 3,-1 80 3 +3 1.149094 1.134031 1.089188 Rho 0.5035620E-02 |GRAD(Rho)| 0.2796120E-11 GRAD(Rho)x 0.1931173E-11 GRAD(Rho)y -0.9442423E-12 GRAD(Rho)z 0.1788089E-11 Laplacian 0.1927608E-01 (-1/4)Del**2(Rho)) -0.4819019E-02 Diamond 0.1349659E-03 Metallicity 0.5288706E+00 Ellipticity -0.8419642E-01 Gb(Abramov) 0.3637452E-02 Vb(Abramov) -0.2455886E-02 Hb(Abramov) 0.1181567E-02 Ex_ueg -0.6374640E-03 Ec_ueg -0.1484460E-03 Delta_ex -0.6664053E-03 Delta_ec 0.8333491E-04 Delta_et -0.6650913E-03 Pxc 0.4294249E+01 Qxc -0.7996713E+01 3,+3 81 3 -1 -2.982521 0.036075 0.008546 Rho 0.5085071E-02 |GRAD(Rho)| 0.3696602E-16 GRAD(Rho)x 0.7936830E-17 GRAD(Rho)y 0.3064770E-16 GRAD(Rho)z 0.1908433E-16 Laplacian 0.1968553E-01 (-1/4)Del**2(Rho)) -0.4921384E-02 Diamond 0.5160717E-03 Metallicity 0.5263739E+00 Ellipticity 0.7687877E+01 Gb(Abramov) 0.3712670E-02 Vb(Abramov) -0.2503957E-02 Hb(Abramov) 0.1208713E-02 Ex_ueg -0.6458244E-03 Ec_ueg -0.1505756E-03 Delta_ex -0.1024133E-02 Delta_ec 0.6952142E-03 Delta_et -0.3764372E-02 Pxc 0.4289038E+01 Qxc -0.1473118E+01 3,-1 82 3 +1 -2.016692 -2.003927 -1.991467 Rho 0.1195691E-01 |GRAD(Rho)| 0.6543821E-16 GRAD(Rho)x 0.4019361E-16 GRAD(Rho)y 0.2878483E-16 GRAD(Rho)z 0.4287268E-16 Laplacian 0.5423268E-01 (-1/4)Del**2(Rho)) -0.1355817E-01 Diamond 0.1568089E-02 Metallicity 0.7944200E+00 Ellipticity -0.1052131E+01 Gb(Abramov) 0.1083393E-01 Vb(Abramov) -0.8109683E-02 Hb(Abramov) 0.2724243E-02 Ex_ueg -0.2019343E-02 Ec_ueg -0.4575800E-03 Delta_ex -0.2490674E-02 Delta_ec 0.3958256E-03 Delta_et -0.3202651E-02 Pxc 0.4413093E+01 Qxc -0.6292352E+01 3,+1 83 3 +1 -2.196705 -1.037601 -1.426686 Rho 0.2517586E-01 |GRAD(Rho)| 0.5342856E-14 GRAD(Rho)x -0.2130317E-14 GRAD(Rho)y 0.2908675E-14 GRAD(Rho)z -0.3943028E-14 Laplacian 0.9605571E-01 (-1/4)Del**2(Rho)) -0.2401393E-01 Diamond 0.1104245E-01 Metallicity 0.1551424E+01 Ellipticity -0.2388467E+01 Gb(Abramov) 0.2221858E-01 Vb(Abramov) -0.2042324E-01 Hb(Abramov) 0.1795343E-02 Ex_ueg -0.5449595E-02 Ec_ueg -0.1097573E-02 Delta_ex -0.5808629E-02 Delta_ec 0.1314485E-02 Delta_et -0.1169472E-01 Pxc 0.4965133E+01 Qxc -0.4418938E+01 3,+1 84 3 +1 1.769907 1.754656 1.780188 Rho 0.1187968E-01 |GRAD(Rho)| 0.5886233E-15 GRAD(Rho)x -0.1567166E-15 GRAD(Rho)y 0.4094310E-15 GRAD(Rho)z 0.3927895E-15 Laplacian 0.5819179E-01 (-1/4)Del**2(Rho)) -0.1454795E-01 Diamond 0.2259043E-02 Metallicity 0.7324191E+00 Ellipticity -0.1259586E+01 Gb(Abramov) 0.1147450E-01 Vb(Abramov) -0.8401047E-02 Hb(Abramov) 0.3073450E-02 Ex_ueg -0.2001973E-02 Ec_ueg -0.4540177E-03 Delta_ex -0.2840869E-02 Delta_ec 0.7340395E-03 Delta_et -0.5506965E-02 Pxc 0.4409461E+01 Qxc -0.3870185E+01 3,+1 85 3 -1 -2.867209 1.845950 -0.596833 Rho 0.1344768E+00 |GRAD(Rho)| 0.1271069E-15 GRAD(Rho)x -0.1778092E-16 GRAD(Rho)y -0.3762182E-16 GRAD(Rho)z 0.1201025E-15 Laplacian 0.5687132E+00 (-1/4)Del**2(Rho)) -0.1421783E+00 Diamond 0.1034719E+01 Metallicity 0.4276930E+01 Ellipticity 0.1650678E-01 Gb(Abramov) 0.1961333E+00 Vb(Abramov) -0.2500883E+00 Hb(Abramov) -0.5395501E-01 Ex_ueg -0.5088404E-01 Ec_ueg -0.7457339E-02 Delta_ex -0.5974392E-01 Delta_ec 0.1531327E-01 Delta_et -0.2015425E+00 Pxc 0.6823350E+01 Qxc -0.3901448E+01 3,-1 86 3 -1 -1.994217 0.842786 3.010749 Rho 0.1447417E+00 |GRAD(Rho)| 0.7659917E-12 GRAD(Rho)x -0.4316605E-12 GRAD(Rho)y -0.5642268E-12 GRAD(Rho)z -0.2864622E-12 Laplacian 0.5632073E+00 (-1/4)Del**2(Rho)) -0.1408018E+00 Diamond 0.1094757E+01 Metallicity 0.4882037E+01 Ellipticity 0.4160003E-01 Gb(Abramov) 0.2084345E+00 Vb(Abramov) -0.2760672E+00 Hb(Abramov) -0.6763269E-01 Ex_ueg -0.5612763E-01 Ec_ueg -0.8107763E-02 Delta_ex -0.5996980E-01 Delta_ec 0.1444076E-01 Delta_et -0.1913155E+00 Pxc 0.6922703E+01 Qxc -0.4152816E+01 3,-1 87 3 -1 -1.830760 0.600179 -2.823814 Rho 0.1209139E+00 |GRAD(Rho)| 0.4137137E-15 GRAD(Rho)x -0.3288385E-15 GRAD(Rho)y -0.1682004E-15 GRAD(Rho)z 0.1863676E-15 Laplacian 0.5199921E+00 (-1/4)Del**2(Rho)) -0.1299980E+00 Diamond 0.8375715E+00 Metallicity 0.3918112E+01 Ellipticity 0.1488987E-01 Gb(Abramov) 0.1715565E+00 Vb(Abramov) -0.2131150E+00 Hb(Abramov) -0.4155847E-01 Ex_ueg -0.4415909E-01 Ec_ueg -0.6608509E-02 Delta_ex -0.5332289E-01 Delta_ec 0.1447213E-01 Delta_et -0.1872154E+00 Pxc 0.6682156E+01 Qxc -0.3684522E+01 3,-1 88 3 +1 -0.523651 -1.659462 0.543199 Rho 0.8629580E-02 |GRAD(Rho)| 0.1112620E-13 GRAD(Rho)x 0.1085813E-13 GRAD(Rho)y 0.2142857E-14 GRAD(Rho)z -0.1140790E-14 Laplacian 0.3365644E-01 (-1/4)Del**2(Rho)) -0.8414110E-02 Diamond 0.9117271E-03 Metallicity 0.7433518E+00 Ellipticity -0.1455532E+01 Gb(Abramov) 0.6651848E-02 Vb(Abramov) -0.4889585E-02 Hb(Abramov) 0.1762263E-02 Ex_ueg -0.1307288E-02 Ec_ueg -0.3063038E-03 Delta_ex -0.1541950E-02 Delta_ec 0.4790564E-03 Delta_et -0.3272794E-02 Pxc 0.4267946E+01 Qxc -0.3218724E+01 3,+1 89 3 +3 -1.155309 1.116755 -1.123001 Rho 0.4807642E-02 |GRAD(Rho)| 0.1390599E-14 GRAD(Rho)x 0.5489114E-15 GRAD(Rho)y -0.1146744E-14 GRAD(Rho)z -0.5634176E-15 Laplacian 0.1766175E-01 (-1/4)Del**2(Rho)) -0.4415437E-02 Diamond 0.1142542E-03 Metallicity 0.5343178E+00 Ellipticity -0.8864340E-01 Gb(Abramov) 0.3336832E-02 Vb(Abramov) -0.2258228E-02 Hb(Abramov) 0.1078604E-02 Ex_ueg -0.5992773E-03 Ec_ueg -0.1386443E-03 Delta_ex -0.6010237E-03 Delta_ec 0.7320244E-04 Delta_et -0.5889576E-03 Pxc 0.4322410E+01 Qxc -0.8210433E+01 3,+3 90 3 +1 0.575069 -0.541883 -1.707147 Rho 0.7830984E-02 |GRAD(Rho)| 0.7002345E-17 GRAD(Rho)x 0.2450728E-17 GRAD(Rho)y 0.5680140E-17 GRAD(Rho)z 0.3280668E-17 Laplacian 0.2963001E-01 (-1/4)Del**2(Rho)) -0.7407504E-02 Diamond 0.7081627E-03 Metallicity 0.7181942E+00 Ellipticity -0.1457771E+01 Gb(Abramov) 0.5825007E-02 Vb(Abramov) -0.4242510E-02 Hb(Abramov) 0.1582497E-02 Ex_ueg -0.1148524E-02 Ec_ueg -0.2707047E-03 Delta_ex -0.1327236E-02 Delta_ec 0.4262414E-03 Delta_et -0.2836039E-02 Pxc 0.4242721E+01 Qxc -0.3113814E+01 3,+1 91 3 -1 -1.805825 -0.549944 2.768714 Rho 0.1376816E+00 |GRAD(Rho)| 0.1858694E-13 GRAD(Rho)x -0.1431141E-13 GRAD(Rho)y 0.1166997E-13 GRAD(Rho)z -0.2114113E-14 Laplacian 0.5774993E+00 (-1/4)Del**2(Rho)) -0.1443748E+00 Diamond 0.1053714E+01 Metallicity 0.4380479E+01 Ellipticity 0.8783924E-02 Gb(Abramov) 0.2016550E+00 Vb(Abramov) -0.2589352E+00 Hb(Abramov) -0.5728021E-01 Ex_ueg -0.5250729E-01 Ec_ueg -0.7659685E-02 Delta_ex -0.6070894E-01 Delta_ec 0.1492164E-01 Delta_et -0.1960757E+00 Pxc 0.6855020E+01 Qxc -0.4068516E+01 3,-1 92 3 +1 -1.446992 2.197541 1.039636 Rho 0.2568698E-01 |GRAD(Rho)| 0.6989151E-15 GRAD(Rho)x -0.5046636E-15 GRAD(Rho)y 0.2576108E-15 GRAD(Rho)z -0.4091865E-15 Laplacian 0.9819937E-01 (-1/4)Del**2(Rho)) -0.2454984E-01 Diamond 0.1153529E-01 Metallicity 0.1569253E+01 Ellipticity -0.2378122E+01 Gb(Abramov) 0.2278738E-01 Vb(Abramov) -0.2102492E-01 Hb(Abramov) 0.1762463E-02 Ex_ueg -0.5597608E-02 Ec_ueg -0.1123364E-02 Delta_ex -0.5963706E-02 Delta_ec 0.1330383E-02 Delta_et -0.1189289E-01 Pxc 0.4982896E+01 Qxc -0.4482699E+01 3,+1 93 3 +1 -0.169590 -2.959598 -0.146332 Rho 0.5568822E-02 |GRAD(Rho)| 0.3021579E-15 GRAD(Rho)x -0.2230526E-15 GRAD(Rho)y -0.2298926E-16 GRAD(Rho)z -0.2025301E-15 Laplacian 0.2267128E-01 (-1/4)Del**2(Rho)) -0.5667819E-02 Diamond 0.5965744E-03 Metallicity 0.5317932E+00 Ellipticity -0.3331297E+01 Gb(Abramov) 0.4280897E-02 Vb(Abramov) -0.2893976E-02 Hb(Abramov) 0.1386922E-02 Ex_ueg -0.7290145E-03 Ec_ueg -0.1714731E-03 Delta_ex -0.1139360E-02 Delta_ec 0.6930036E-03 Delta_et -0.3895558E-02 Pxc 0.4251481E+01 Qxc -0.1644090E+01 3,+1 94 3 -1 -1.996557 -3.019199 -0.854160 Rho 0.1557559E+00 |GRAD(Rho)| 0.3051748E-15 GRAD(Rho)x -0.9490835E-16 GRAD(Rho)y 0.1206446E-15 GRAD(Rho)z 0.2637593E-15 Laplacian 0.6082954E+00 (-1/4)Del**2(Rho)) -0.1520739E+00 Diamond 0.1287531E+01 Metallicity 0.5107865E+01 Ellipticity 0.5470052E-01 Gb(Abramov) 0.2308447E+00 Vb(Abramov) -0.3096156E+00 Hb(Abramov) -0.7877085E-01 Ex_ueg -0.6189341E-01 Ec_ueg -0.8812987E-02 Delta_ex -0.6591326E-01 Delta_ec 0.1525201E-01 Delta_et -0.2039846E+00 Pxc 0.7022978E+01 Qxc -0.4321611E+01 3,-1 95 3 -1 -1.807924 -2.778146 0.559609 Rho 0.1341320E+00 |GRAD(Rho)| 0.2842264E-15 GRAD(Rho)x 0.2528766E-15 GRAD(Rho)y 0.1253948E-15 GRAD(Rho)z 0.3337987E-16 Laplacian 0.5653637E+00 (-1/4)Del**2(Rho)) -0.1413409E+00 Diamond 0.9986075E+00 Metallicity 0.4283898E+01 Ellipticity 0.1083575E-01 Gb(Abramov) 0.1951423E+00 Vb(Abramov) -0.2489437E+00 Hb(Abramov) -0.5380137E-01 Ex_ueg -0.5071014E-01 Ec_ueg -0.7435607E-02 Delta_ex -0.5904495E-01 Delta_ec 0.1467808E-01 Delta_et -0.1920526E+00 Pxc 0.6819906E+01 Qxc -0.4022663E+01 3,-1 96 3 +3 -1.980402 -1.965700 -1.957307 Rho 0.1195381E-01 |GRAD(Rho)| 0.1105120E-16 GRAD(Rho)x 0.9723212E-17 GRAD(Rho)y -0.5221770E-17 GRAD(Rho)z 0.5668214E-18 Laplacian 0.5401922E-01 (-1/4)Del**2(Rho)) -0.1350480E-01 Diamond 0.1413878E-02 Metallicity 0.7972153E+00 Ellipticity -0.9390268E+00 Gb(Abramov) 0.1079758E-01 Vb(Abramov) -0.8090348E-02 Hb(Abramov) 0.2707229E-02 Ex_ueg -0.2018647E-02 Ec_ueg -0.4574373E-03 Delta_ex -0.2437852E-02 Delta_ec 0.3177848E-03 Delta_et -0.2675834E-02 Pxc 0.4412948E+01 Qxc -0.7671392E+01 3,+3 97 3 +1 -1.090376 -2.187277 -1.363793 Rho 0.2714734E-01 |GRAD(Rho)| 0.3476448E-16 GRAD(Rho)x -0.8550622E-17 GRAD(Rho)y 0.6750267E-18 GRAD(Rho)z 0.3368976E-16 Laplacian 0.1069110E+00 (-1/4)Del**2(Rho)) -0.2672775E-01 Diamond 0.1543147E-01 Metallicity 0.1580530E+01 Ellipticity -0.3709055E+01 Gb(Abramov) 0.2485917E-01 Vb(Abramov) -0.2299059E-01 Hb(Abramov) 0.1868581E-02 Ex_ueg -0.6025893E-02 Ec_ueg -0.1197425E-02 Delta_ex -0.6775122E-02 Delta_ec 0.1773972E-02 Delta_et -0.1598270E-01 Pxc 0.5032374E+01 Qxc -0.3819182E+01 3,+1 98 3 -1 1.758140 1.748685 -0.551560 Rho 0.4250785E-01 |GRAD(Rho)| 0.2575311E-16 GRAD(Rho)x -0.1759287E-17 GRAD(Rho)y 0.2090350E-16 GRAD(Rho)z -0.1493891E-16 Laplacian 0.1825026E+00 (-1/4)Del**2(Rho)) -0.4562566E-01 Diamond 0.7961895E-01 Metallicity 0.1954907E+01 Ellipticity 0.1664684E-01 Gb(Abramov) 0.4528275E-01 Vb(Abramov) -0.4493985E-01 Hb(Abramov) 0.3429023E-03 Ex_ueg -0.1095664E-01 Ec_ueg -0.2005126E-02 Delta_ex -0.1471442E-01 Delta_ec 0.5962559E-02 Delta_et -0.6031449E-01 Pxc 0.5464315E+01 Qxc -0.2467802E+01 3,-1 99 3 +1 -1.448007 -1.037484 -2.179145 Rho 0.2593878E-01 |GRAD(Rho)| 0.3648409E-16 GRAD(Rho)x -0.3280883E-16 GRAD(Rho)y 0.1326141E-16 GRAD(Rho)z 0.8877188E-17 Laplacian 0.9961413E-01 (-1/4)Del**2(Rho)) -0.2490353E-01 Diamond 0.1220803E-01 Metallicity 0.1572322E+01 Ellipticity -0.2559004E+01 Gb(Abramov) 0.2312842E-01 Vb(Abramov) -0.2135330E-01 Hb(Abramov) 0.1775116E-02 Ex_ueg -0.5670889E-02 Ec_ueg -0.1136096E-02 Delta_ex -0.6101873E-02 Delta_ec 0.1413705E-02 Delta_et -0.1264855E-01 Pxc 0.4991560E+01 Qxc -0.4316227E+01 3,+1 100 3 -1 -1.818398 2.826249 -0.599218 Rho 0.1239842E+00 |GRAD(Rho)| 0.1961884E-15 GRAD(Rho)x 0.1617630E-15 GRAD(Rho)y 0.6032230E-16 GRAD(Rho)z -0.9318718E-16 Laplacian 0.5320827E+00 (-1/4)Del**2(Rho)) -0.1330207E+00 Diamond 0.8816548E+00 Metallicity 0.3992496E+01 Ellipticity 0.1434794E-01 Gb(Abramov) 0.1771945E+00 Vb(Abramov) -0.2213684E+00 Hb(Abramov) -0.4417385E-01 Ex_ueg -0.4566044E-01 Ec_ueg -0.6799574E-02 Delta_ex -0.5486701E-01 Delta_ec 0.1468604E-01 Delta_et -0.1907757E+00 Pxc 0.6715191E+01 Qxc -0.3735997E+01 3,-1 101 3 -1 -0.557481 2.824618 -1.847016 Rho 0.1425155E+00 |GRAD(Rho)| 0.1740105E-15 GRAD(Rho)x 0.8632960E-16 GRAD(Rho)y -0.1101549E-15 GRAD(Rho)z 0.1034058E-15 Laplacian 0.5873476E+00 (-1/4)Del**2(Rho)) -0.1468369E+00 Diamond 0.1114228E+01 Metallicity 0.4561998E+01 Ellipticity 0.1483197E-01 Gb(Abramov) 0.2095362E+00 Vb(Abramov) -0.2722355E+00 Hb(Abramov) -0.6269930E-01 Ex_ueg -0.5497958E-01 Ec_ueg -0.7966136E-02 Delta_ex -0.6223567E-01 Delta_ec 0.1499532E-01 Delta_et -0.1979508E+00 Pxc 0.6901662E+01 Qxc -0.4150341E+01 3,-1 102 3 -1 -2.005318 3.026294 0.885888 Rho 0.1022340E+00 |GRAD(Rho)| 0.7952499E-14 GRAD(Rho)x 0.6228199E-14 GRAD(Rho)y -0.3329111E-14 GRAD(Rho)z 0.3656336E-14 Laplacian 0.4252180E+00 (-1/4)Del**2(Rho)) -0.1063045E+00 Diamond 0.5604677E+00 Metallicity 0.3622380E+01 Ellipticity 0.6393016E-02 Gb(Abramov) 0.1350489E+00 Vb(Abramov) -0.1637932E+00 Hb(Abramov) -0.2874437E-01 Ex_ueg -0.3530577E-01 Ec_ueg -0.5460579E-02 Delta_ex -0.4194053E-01 Delta_ec 0.1231327E-01 Delta_et -0.1542757E+00 Pxc 0.6465572E+01 Qxc -0.3406124E+01 3,-1 103 3 +1 -0.551666 0.549126 -1.692060 Rho 0.8083466E-02 |GRAD(Rho)| 0.4052909E-14 GRAD(Rho)x 0.3482427E-14 GRAD(Rho)y 0.1258828E-14 GRAD(Rho)z 0.1647461E-14 Laplacian 0.3054202E-01 (-1/4)Del**2(Rho)) -0.7635505E-02 Diamond 0.7554098E-03 Metallicity 0.7345895E+00 Ellipticity -0.1462638E+01 Gb(Abramov) 0.6025164E-02 Vb(Abramov) -0.4414823E-02 Hb(Abramov) 0.1610341E-02 Ex_ueg -0.1198161E-02 Ec_ueg -0.2819285E-03 Delta_ex -0.1375690E-02 Delta_ec 0.4334498E-03 Delta_et -0.2912666E-02 Pxc 0.4249875E+01 Qxc -0.3173815E+01 3,+1 104 3 +1 -0.231119 0.206432 2.947101 Rho 0.6126317E-02 |GRAD(Rho)| 0.9049457E-17 GRAD(Rho)x -0.6014326E-17 GRAD(Rho)y -0.6745330E-17 GRAD(Rho)z -0.4701799E-18 Laplacian 0.2573159E-01 (-1/4)Del**2(Rho)) -0.6432897E-02 Diamond 0.6772047E-03 Metallicity 0.5493035E+00 Ellipticity -0.1979220E+01 Gb(Abramov) 0.4877533E-02 Vb(Abramov) -0.3322170E-02 Hb(Abramov) 0.1555363E-02 Ex_ueg -0.8279123E-03 Ec_ueg -0.1957002E-03 Delta_ex -0.1252364E-02 Delta_ec 0.6693531E-03 Delta_et -0.3918725E-02 Pxc 0.4230513E+01 Qxc -0.1871007E+01 3,+1 105 3 -1 -0.844230 -3.006766 -1.998227 Rho 0.1138093E+00 |GRAD(Rho)| 0.2903337E-13 GRAD(Rho)x 0.2136288E-13 GRAD(Rho)y 0.1015309E-13 GRAD(Rho)z -0.1683683E-13 Laplacian 0.4447860E+00 (-1/4)Del**2(Rho)) -0.1111965E+00 Diamond 0.6472808E+00 Metallicity 0.4140872E+01 Ellipticity 0.1752279E-01 Gb(Abramov) 0.1508728E+00 Vb(Abramov) -0.1905490E+00 Hb(Abramov) -0.3967625E-01 Ex_ueg -0.4073386E-01 Ec_ueg -0.6168910E-02 Delta_ex -0.4469399E-01 Delta_ec 0.1206723E-01 Delta_et -0.1536646E+00 Pxc 0.6603088E+01 Qxc -0.3703749E+01 3,-1 106 3 -1 -0.558167 -2.776418 1.820144 Rho 0.1390435E+00 |GRAD(Rho)| 0.5530376E-15 GRAD(Rho)x 0.4218224E-15 GRAD(Rho)y 0.1505584E-15 GRAD(Rho)z 0.3244204E-15 Laplacian 0.5780570E+00 (-1/4)Del**2(Rho)) -0.1445142E+00 Diamond 0.1068626E+01 Metallicity 0.4448637E+01 Ellipticity 0.1159228E-01 Gb(Abramov) 0.2034914E+00 Vb(Abramov) -0.2624686E+00 Hb(Abramov) -0.5897716E-01 Ex_ueg -0.5320094E-01 Ec_ueg -0.7745873E-02 Delta_ex -0.6092813E-01 Delta_ec 0.1492688E-01 Delta_et -0.1964930E+00 Pxc 0.6868295E+01 Qxc -0.4081772E+01 3,-1 107 3 -1 0.548567 -1.733243 1.739341 Rho 0.4530396E-01 |GRAD(Rho)| 0.8628543E-16 GRAD(Rho)x -0.2985368E-16 GRAD(Rho)y -0.2481383E-17 GRAD(Rho)z -0.8091833E-16 Laplacian 0.1831648E+00 (-1/4)Del**2(Rho)) -0.4579120E-01 Diamond 0.8030332E-01 Metallicity 0.2166031E+01 Ellipticity 0.1582295E-01 Gb(Abramov) 0.4705833E-01 Vb(Abramov) -0.4832546E-01 Hb(Abramov) -0.1267130E-02 Ex_ueg -0.1192797E-01 Ec_ueg -0.2156987E-02 Delta_ex -0.1466418E-01 Delta_ec 0.5382835E-02 Delta_et -0.5529088E-01 Pxc 0.5529923E+01 Qxc -0.2724249E+01 3,-1 108 3 +1 -0.541764 1.692386 -0.547987 Rho 0.8234719E-02 |GRAD(Rho)| 0.2265313E-16 GRAD(Rho)x 0.1581424E-16 GRAD(Rho)y -0.1541610E-16 GRAD(Rho)z 0.5041638E-17 Laplacian 0.3120422E-01 (-1/4)Del**2(Rho)) -0.7801054E-02 Diamond 0.7867543E-03 Metallicity 0.7415626E+00 Ellipticity -0.1460227E+01 Gb(Abramov) 0.6164865E-02 Vb(Abramov) -0.4528675E-02 Hb(Abramov) 0.1636190E-02 Ex_ueg -0.1228146E-02 Ec_ueg -0.2886662E-03 Delta_ex -0.1409811E-02 Delta_ec 0.4387862E-03 Delta_et -0.2966007E-02 Pxc 0.4254555E+01 Qxc -0.3212980E+01 3,+1 109 3 +1 1.441021 1.048282 -2.193722 Rho 0.2564085E-01 |GRAD(Rho)| 0.4206529E-16 GRAD(Rho)x 0.1992186E-16 GRAD(Rho)y 0.3628246E-17 GRAD(Rho)z -0.3687063E-16 Laplacian 0.9852882E-01 (-1/4)Del**2(Rho)) -0.2463221E-01 Diamond 0.1216351E-01 Metallicity 0.1559327E+01 Ellipticity -0.2711140E+01 Gb(Abramov) 0.2282308E-01 Vb(Abramov) -0.2101396E-01 Hb(Abramov) 0.1809123E-02 Ex_ueg -0.5584209E-02 Ec_ueg -0.1121034E-02 Delta_ex -0.6045665E-02 Delta_ec 0.1450754E-02 Delta_et -0.1293274E-01 Pxc 0.4981302E+01 Qxc -0.4167257E+01 3,+1 110 3 -1 -0.850036 1.981497 3.009860 Rho 0.1259448E+00 |GRAD(Rho)| 0.2608592E-15 GRAD(Rho)x 0.1914294E-15 GRAD(Rho)y 0.1350713E-15 GRAD(Rho)z -0.1147086E-15 Laplacian 0.4956658E+00 (-1/4)Del**2(Rho)) -0.1239164E+00 Diamond 0.8141586E+00 Metallicity 0.4399379E+01 Ellipticity 0.2950456E-01 Gb(Abramov) 0.1734702E+00 Vb(Abramov) -0.2230239E+00 Hb(Abramov) -0.4955375E-01 Ex_ueg -0.4662571E-01 Ec_ueg -0.6921924E-02 Delta_ex -0.5101618E-01 Delta_ec 0.1311943E-01 Delta_et -0.1700215E+00 Pxc 0.6735947E+01 Qxc -0.3888596E+01 3,-1 111 3 +1 2.225166 1.149371 -1.345184 Rho 0.2479059E-01 |GRAD(Rho)| 0.3714913E-16 GRAD(Rho)x -0.2663919E-16 GRAD(Rho)y -0.2549335E-16 GRAD(Rho)z 0.4527709E-17 Laplacian 0.9236295E-01 (-1/4)Del**2(Rho)) -0.2309074E-01 Diamond 0.1235392E-01 Metallicity 0.1572511E+01 Ellipticity -0.6559493E+01 Gb(Abramov) 0.2144556E-01 Vb(Abramov) -0.1980039E-01 Hb(Abramov) 0.1645174E-02 Ex_ueg -0.5338685E-02 Ec_ueg -0.1078177E-02 Delta_ex -0.5776941E-02 Delta_ec 0.1648304E-02 Delta_et -0.1450070E-01 Pxc 0.4951587E+01 Qxc -0.3504779E+01 3,+1 112 3 +3 0.022226 2.366380 -0.005983 Rho 0.4285331E-02 |GRAD(Rho)| 0.3714651E-17 GRAD(Rho)x -0.2375942E-17 GRAD(Rho)y 0.2633094E-18 GRAD(Rho)z -0.2843273E-17 Laplacian 0.1715680E-01 (-1/4)Del**2(Rho)) -0.4289200E-02 Diamond 0.1395050E-03 Metallicity 0.4540993E+00 Ellipticity -0.2846158E+00 Gb(Abramov) 0.3184087E-02 Vb(Abramov) -0.2078974E-02 Hb(Abramov) 0.1105113E-02 Ex_ueg -0.5140802E-03 Ec_ueg -0.1162885E-03 Delta_ex -0.6164892E-03 Delta_ec 0.1620859E-03 Delta_et -0.9954045E-03 Pxc 0.4420731E+01 Qxc -0.3803473E+01 3,+3 113 3 -1 -0.517188 -1.732420 -1.753131 Rho 0.4347677E-01 |GRAD(Rho)| 0.1335826E-15 GRAD(Rho)x -0.1861355E-16 GRAD(Rho)y -0.1763438E-16 GRAD(Rho)z -0.1310987E-15 Laplacian 0.1742402E+00 (-1/4)Del**2(Rho)) -0.4356005E-01 Diamond 0.7217655E-01 Metallicity 0.2125985E+01 Ellipticity 0.3117039E-01 Gb(Abramov) 0.4447470E-01 Vb(Abramov) -0.4538935E-01 Hb(Abramov) -0.9146544E-03 Ex_ueg -0.1129089E-01 Ec_ueg -0.2057600E-02 Delta_ex -0.1380378E-01 Delta_ec 0.5116959E-02 Delta_et -0.5198909E-01 Pxc 0.5487406E+01 Qxc -0.2697654E+01 3,-1 114 3 -1 1.750127 -1.738983 0.518092 Rho 0.4210677E-01 |GRAD(Rho)| 0.4547753E-14 GRAD(Rho)x 0.1958510E-15 GRAD(Rho)y 0.3043421E-14 GRAD(Rho)z 0.3373617E-14 Laplacian 0.1804293E+00 (-1/4)Del**2(Rho)) -0.4510732E-01 Diamond 0.7787553E-01 Metallicity 0.1946373E+01 Ellipticity 0.1214277E-01 Gb(Abramov) 0.4470416E-01 Vb(Abramov) -0.4430099E-01 Hb(Abramov) 0.4031636E-03 Ex_ueg -0.1081901E-01 Ec_ueg -0.1983451E-02 Delta_ex -0.1452276E-01 Delta_ec 0.5911410E-02 Delta_et -0.5964453E-01 Pxc 0.5454641E+01 Qxc -0.2456734E+01 3,-1 115 3 +1 1.274094 -1.184120 2.192001 Rho 0.2783835E-01 |GRAD(Rho)| 0.8983842E-16 GRAD(Rho)x -0.1267363E-16 GRAD(Rho)y 0.2305122E-16 GRAD(Rho)z -0.8590088E-16 Laplacian 0.1124513E+00 (-1/4)Del**2(Rho)) -0.2811282E-01 Diamond 0.1818069E-01 Metallicity 0.1566948E+01 Ellipticity -0.6342799E+01 Gb(Abramov) 0.2608376E-01 Vb(Abramov) -0.2405471E-01 Hb(Abramov) 0.2029053E-02 Ex_ueg -0.6231266E-02 Ec_ueg -0.1232655E-02 Delta_ex -0.7304279E-02 Delta_ec 0.2097303E-02 Delta_et -0.1897361E-01 Pxc 0.5055156E+01 Qxc -0.3482701E+01 3,+1 116 3 -1 -0.551996 -1.802101 2.776559 Rho 0.1362162E+00 |GRAD(Rho)| 0.7471295E-12 GRAD(Rho)x 0.4830914E-12 GRAD(Rho)y -0.5625026E-12 GRAD(Rho)z -0.9173930E-13 Laplacian 0.5724500E+00 (-1/4)Del**2(Rho)) -0.1431125E+00 Diamond 0.1031216E+01 Metallicity 0.4341006E+01 Ellipticity 0.1063891E-01 Gb(Abramov) 0.1989504E+00 Vb(Abramov) -0.2547882E+00 Hb(Abramov) -0.5583787E-01 Ex_ueg -0.5176349E-01 Ec_ueg -0.7567081E-02 Delta_ex -0.6002253E-01 Delta_ec 0.1483075E-01 Delta_et -0.1945637E+00 Pxc 0.6840615E+01 Qxc -0.4047168E+01 3,-1 117 3 -1 1.747378 -0.526705 1.729428 Rho 0.4746371E-01 |GRAD(Rho)| 0.1674880E-12 GRAD(Rho)x -0.1285995E-12 GRAD(Rho)y 0.8554646E-13 GRAD(Rho)z -0.6477800E-13 Laplacian 0.1920999E+00 (-1/4)Del**2(Rho)) -0.4802498E-01 Diamond 0.9009431E-01 Metallicity 0.2231972E+01 Ellipticity 0.2141372E-01 Gb(Abramov) 0.4988172E-01 Vb(Abramov) -0.5173847E-01 Hb(Abramov) -0.1856745E-02 Ex_ueg -0.1269211E-01 Ec_ueg -0.2275164E-02 Delta_ex -0.1557746E-01 Delta_ec 0.5673820E-02 Delta_et -0.5900571E-01 Pxc 0.5578549E+01 Qxc -0.2745498E+01 3,-1 118 3 +1 0.137724 0.120316 -2.993460 Rho 0.4782567E-02 |GRAD(Rho)| 0.1115873E-15 GRAD(Rho)x 0.7207378E-16 GRAD(Rho)y 0.8497355E-16 GRAD(Rho)z -0.6049102E-17 Laplacian 0.1891220E-01 (-1/4)Del**2(Rho)) -0.4728051E-02 Diamond 0.4098148E-03 Metallicity 0.4946592E+00 Ellipticity -0.3098762E+01 Gb(Abramov) 0.3541829E-02 Vb(Abramov) -0.2355608E-02 Hb(Abramov) 0.1186221E-02 Ex_ueg -0.5951134E-03 Ec_ueg -0.1375678E-03 Delta_ex -0.9267394E-03 Delta_ec 0.5856173E-03 Delta_et -0.3142218E-02 Pxc 0.4325965E+01 Qxc -0.1582500E+01 3,+1 119 3 +3 0.022232 0.004550 -2.377200 Rho 0.4124910E-02 |GRAD(Rho)| 0.1241353E-15 GRAD(Rho)x -0.6887881E-16 GRAD(Rho)y -0.7852040E-16 GRAD(Rho)z 0.6708069E-16 Laplacian 0.1650155E-01 (-1/4)Del**2(Rho)) -0.4125387E-02 Diamond 0.1272647E-03 Metallicity 0.4430431E+00 Ellipticity -0.2906935E+00 Gb(Abramov) 0.3054879E-02 Vb(Abramov) -0.1984370E-02 Hb(Abramov) 0.1070508E-02 Ex_ueg -0.4885823E-03 Ec_ueg -0.1094507E-03 Delta_ex -0.5870764E-03 Delta_ec 0.1555753E-03 Delta_et -0.9470235E-03 Pxc 0.4463949E+01 Qxc -0.3773583E+01 3,+3 120 3 +3 0.013654 -2.309971 0.013618 Rho 0.4617694E-02 |GRAD(Rho)| 0.9533768E-17 GRAD(Rho)x -0.5227140E-18 GRAD(Rho)y -0.7297299E-17 GRAD(Rho)z -0.6113013E-17 Laplacian 0.1877792E-01 (-1/4)Del**2(Rho)) -0.4694480E-02 Diamond 0.1582244E-03 Metallicity 0.4699023E+00 Ellipticity -0.3134409E+00 Gb(Abramov) 0.3497311E-02 Vb(Abramov) -0.2300142E-02 Hb(Abramov) 0.1197169E-02 Ex_ueg -0.5679175E-03 Ec_ueg -0.1304979E-03 Delta_ex -0.6765696E-03 Delta_ec 0.1575943E-03 Delta_et -0.1012399E-02 Pxc 0.4351929E+01 Qxc -0.4293109E+01 3,+3 121 3 -1 -0.850104 3.022403 2.041714 Rho 0.1618866E+00 |GRAD(Rho)| 0.7130201E-12 GRAD(Rho)x 0.5261759E-12 GRAD(Rho)y -0.2880633E-12 GRAD(Rho)z 0.3854298E-12 Laplacian 0.6276219E+00 (-1/4)Del**2(Rho)) -0.1569055E+00 Diamond 0.1392281E+01 Metallicity 0.5279585E+01 Ellipticity 0.3419559E-01 Gb(Abramov) 0.2426696E+00 Vb(Abramov) -0.3284338E+00 Hb(Abramov) -0.8576415E-01 Ex_ueg -0.6516277E-01 Ec_ueg -0.9208718E-02 Delta_ex -0.6866830E-01 Delta_ec 0.1559649E-01 Delta_et -0.2096614E+00 Pxc 0.7076204E+01 Qxc -0.4402806E+01 3,-1 122 3 -1 -0.534901 1.743688 1.729649 Rho 0.4576181E-01 |GRAD(Rho)| 0.2039084E-15 GRAD(Rho)x -0.7070629E-16 GRAD(Rho)y -0.7085769E-16 GRAD(Rho)z -0.1776469E-15 Laplacian 0.1846623E+00 (-1/4)Del**2(Rho)) -0.4616558E-01 Diamond 0.8218832E-01 Metallicity 0.2184776E+01 Ellipticity 0.1834727E-01 Gb(Abramov) 0.4758729E-01 Vb(Abramov) -0.4900900E-01 Hb(Abramov) -0.1421712E-02 Ex_ueg -0.1208897E-01 Ec_ueg -0.2181977E-02 Delta_ex -0.1482693E-01 Delta_ec 0.5436307E-02 Delta_et -0.5599059E-01 Pxc 0.5540374E+01 Qxc -0.2727390E+01 3,-1 123 3 -1 1.774481 0.538755 -1.745748 Rho 0.4029876E-01 |GRAD(Rho)| 0.6289453E-16 GRAD(Rho)x -0.7306083E-17 GRAD(Rho)y -0.3217539E-16 GRAD(Rho)z -0.5354519E-16 Laplacian 0.1723635E+00 (-1/4)Del**2(Rho)) -0.4309087E-01 Diamond 0.6996639E-01 Metallicity 0.1893742E+01 Ellipticity 0.1522945E-01 Gb(Abramov) 0.4232774E-01 Vb(Abramov) -0.4156461E-01 Hb(Abramov) 0.7631268E-03 Ex_ueg -0.1020408E-01 Ec_ueg -0.1886097E-02 Delta_ex -0.1371916E-01 Delta_ec 0.5635913E-02 Delta_et -0.5618266E-01 Pxc 0.5410157E+01 Qxc -0.2434239E+01 3,-1 124 3 -1 -0.464502 -0.469338 -0.473760 Rho 0.1837398E+00 |GRAD(Rho)| 0.2425141E-15 GRAD(Rho)x 0.2151057E-15 GRAD(Rho)y 0.3122502E-16 GRAD(Rho)z 0.1075529E-15 Laplacian 0.4937373E+00 (-1/4)Del**2(Rho)) -0.1234343E+00 Diamond 0.1301827E+01 Metallicity 0.8288118E+01 Ellipticity 0.4355664E-02 Gb(Abramov) 0.2527959E+00 Vb(Abramov) -0.3821576E+00 Hb(Abramov) -0.1293616E+00 Ex_ueg -0.7714765E-01 Ec_ueg -0.1063731E-01 Delta_ex -0.5596272E-01 Delta_ec 0.1223412E-01 Delta_et -0.1679438E+00 Pxc 0.7252552E+01 Qxc -0.4574315E+01 3,-1 125 3 +1 1.701470 0.571296 0.538080 Rho 0.8145555E-02 |GRAD(Rho)| 0.4110307E-14 GRAD(Rho)x -0.2853345E-14 GRAD(Rho)y -0.2685551E-14 GRAD(Rho)z -0.1241313E-14 Laplacian 0.3097460E-01 (-1/4)Del**2(Rho)) -0.7743650E-02 Diamond 0.7723016E-03 Metallicity 0.7336270E+00 Ellipticity -0.1455536E+01 Gb(Abramov) 0.6109258E-02 Vb(Abramov) -0.4474867E-02 Hb(Abramov) 0.1634391E-02 Ex_ueg -0.1210448E-02 Ec_ueg -0.2846931E-03 Delta_ex -0.1396974E-02 Delta_ec 0.4380055E-03 Delta_et -0.2950406E-02 Pxc 0.4251763E+01 Qxc -0.3189398E+01 3,+1 126 3 +1 1.714723 -0.556471 -0.566431 Rho 0.7821280E-02 |GRAD(Rho)| 0.9636082E-15 GRAD(Rho)x -0.6147042E-15 GRAD(Rho)y 0.7182503E-15 GRAD(Rho)z 0.1865370E-15 Laplacian 0.2888199E-01 (-1/4)Del**2(Rho)) -0.7220496E-02 Diamond 0.6679775E-03 Metallicity 0.7352739E+00 Ellipticity -0.1449908E+01 Gb(Abramov) 0.5698505E-02 Vb(Abramov) -0.4176513E-02 Hb(Abramov) 0.1521992E-02 Ex_ueg -0.1146627E-02 Ec_ueg -0.2702739E-03 Delta_ex -0.1282516E-02 Delta_ec 0.3961766E-03 Delta_et -0.2650911E-02 Pxc 0.4242463E+01 Qxc -0.3237234E+01 3,+1 127 3 -1 -0.468762 0.479421 0.467757 Rho 0.1827866E+00 |GRAD(Rho)| 0.5122832E-13 GRAD(Rho)x 0.3015296E-13 GRAD(Rho)y -0.2912601E-13 GRAD(Rho)z -0.2944173E-13 Laplacian 0.4903120E+00 (-1/4)Del**2(Rho)) -0.1225780E+00 Diamond 0.1285074E+01 Metallicity 0.8273983E+01 Ellipticity 0.3871509E-02 Gb(Abramov) 0.2507534E+00 Vb(Abramov) -0.3789288E+00 Hb(Abramov) -0.1281754E+00 Ex_ueg -0.7661449E-01 Ec_ueg -0.1057442E-01 Delta_ex -0.5550452E-01 Delta_ec 0.1217027E-01 Delta_et -0.1669849E+00 Pxc 0.7245263E+01 Qxc -0.4560666E+01 3,-1 128 3 +3 -0.015268 -0.005863 2.263695 Rho 0.5016800E-02 |GRAD(Rho)| 0.9177233E-16 GRAD(Rho)x 0.4912056E-16 GRAD(Rho)y -0.4183405E-16 GRAD(Rho)z -0.6526287E-16 Laplacian 0.2075095E-01 (-1/4)Del**2(Rho)) -0.5187737E-02 Diamond 0.1880690E-03 Metallicity 0.4882248E+00 Ellipticity -0.3463496E+00 Gb(Abramov) 0.3880621E-02 Vb(Abramov) -0.2573506E-02 Hb(Abramov) 0.1307115E-02 Ex_ueg -0.6342893E-03 Ec_ueg -0.1476358E-03 Delta_ex -0.7568781E-03 Delta_ec 0.1615395E-03 Delta_et -0.1076978E-02 Pxc 0.4296310E+01 Qxc -0.4685405E+01 3,+3 129 3 -1 -0.086950 -3.197217 3.235190 Rho 0.2361057E+00 |GRAD(Rho)| 0.6488012E-15 GRAD(Rho)x -0.2014719E-15 GRAD(Rho)y -0.2555465E-15 GRAD(Rho)z 0.5612915E-15 Laplacian 0.8655584E+00 (-1/4)Del**2(Rho)) -0.2163896E+00 Diamond 0.2997945E+01 Metallicity 0.7180603E+01 Ellipticity 0.2633423E-02 Gb(Abramov) 0.4032277E+00 Vb(Abramov) -0.5900658E+00 Hb(Abramov) -0.1868381E+00 Ex_ueg -0.1077772E+00 Ec_ueg -0.1417033E-01 Delta_ex -0.1041120E+00 Delta_ec 0.1917852E-01 Delta_et -0.2653471E+00 Pxc 0.7605839E+01 Qxc -0.5428573E+01 3,-1 130 3 -1 0.071775 -3.238216 -3.229385 Rho 0.2347982E+00 |GRAD(Rho)| 0.9878619E-11 GRAD(Rho)x -0.1556817E-11 GRAD(Rho)y 0.7164691E-11 GRAD(Rho)z 0.6620472E-11 Laplacian 0.8576534E+00 (-1/4)Del**2(Rho)) -0.2144133E+00 Diamond 0.2953337E+01 Metallicity 0.7180026E+01 Ellipticity 0.3022194E-02 Gb(Abramov) 0.3995245E+00 Vb(Abramov) -0.5846356E+00 Hb(Abramov) -0.1851111E+00 Ex_ueg -0.1069822E+00 Ec_ueg -0.1408027E-01 Delta_ex -0.1030259E+00 Delta_ec 0.1905945E-01 Delta_et -0.2637512E+00 Pxc 0.7598021E+01 Qxc -0.5405505E+01 3,-1 131 3 +1 0.187037 -2.960373 0.201802 Rho 0.5497884E-02 |GRAD(Rho)| 0.5237726E-17 GRAD(Rho)x 0.4152239E-17 GRAD(Rho)y -0.5359299E-18 GRAD(Rho)z -0.3147295E-17 Laplacian 0.2219374E-01 (-1/4)Del**2(Rho)) -0.5548435E-02 Diamond 0.5267363E-03 Metallicity 0.5317514E+00 Ellipticity -0.2243343E+01 Gb(Abramov) 0.4190688E-02 Vb(Abramov) -0.2832941E-02 Hb(Abramov) 0.1357747E-02 Ex_ueg -0.7166589E-03 Ec_ueg -0.1684013E-03 Delta_ex -0.1073848E-02 Delta_ec 0.6093341E-03 Delta_et -0.3440570E-02 Pxc 0.4255661E+01 Qxc -0.1762330E+01 3,+1 132 3 +1 1.780612 -1.795446 -1.792257 Rho 0.1132287E-01 |GRAD(Rho)| 0.2316739E-16 GRAD(Rho)x 0.1825065E-16 GRAD(Rho)y 0.1254995E-16 GRAD(Rho)z 0.6792669E-17 Laplacian 0.5307695E-01 (-1/4)Del**2(Rho)) -0.1326924E-01 Diamond 0.1880607E-02 Metallicity 0.7412554E+00 Ellipticity -0.1258462E+01 Gb(Abramov) 0.1048547E-01 Vb(Abramov) -0.7701711E-02 Hb(Abramov) 0.2783764E-02 Ex_ueg -0.1877847E-02 Ec_ueg -0.4284011E-03 Delta_ex -0.2543339E-02 Delta_ec 0.6424288E-03 Delta_et -0.4785821E-02 Pxc 0.4383386E+01 Qxc -0.3958944E+01 3,+1 133 3 +1 0.568687 1.682478 0.542091 Rho 0.8266880E-02 |GRAD(Rho)| 0.1942170E-16 GRAD(Rho)x -0.1544423E-16 GRAD(Rho)y 0.4156219E-18 GRAD(Rho)z 0.1176884E-16 Laplacian 0.3145586E-01 (-1/4)Del**2(Rho)) -0.7863964E-02 Diamond 0.8092840E-03 Metallicity 0.7404250E+00 Ellipticity -0.1474422E+01 Gb(Abramov) 0.6213088E-02 Vb(Abramov) -0.4562213E-02 Hb(Abramov) 0.1650875E-02 Ex_ueg -0.1234546E-02 Ec_ueg -0.2901001E-03 Delta_ex -0.1428260E-02 Delta_ec 0.4524692E-03 Delta_et -0.3053228E-02 Pxc 0.4255585E+01 Qxc -0.3156591E+01 3,+1 134 3 +1 1.427994 -2.199067 1.049517 Rho 0.2542881E-01 |GRAD(Rho)| 0.2491671E-16 GRAD(Rho)x -0.1947248E-16 GRAD(Rho)y 0.1425198E-16 GRAD(Rho)z 0.6208556E-17 Laplacian 0.9678970E-01 (-1/4)Del**2(Rho)) -0.2419742E-01 Diamond 0.1136024E-01 Metallicity 0.1565528E+01 Ellipticity -0.2457081E+01 Gb(Abramov) 0.2244524E-01 Vb(Abramov) -0.2069305E-01 Hb(Abramov) 0.1752185E-02 Ex_ueg -0.5522721E-02 Ec_ueg -0.1110328E-02 Delta_ex -0.5877485E-02 Delta_ec 0.1339406E-02 Delta_et -0.1193902E-01 Pxc 0.4973953E+01 Qxc -0.4388127E+01 3,+1 135 3 -1 1.795372 0.541951 2.778687 Rho 0.1401546E+00 |GRAD(Rho)| 0.3841554E-13 GRAD(Rho)x 0.2308630E-13 GRAD(Rho)y 0.2640516E-13 GRAD(Rho)z -0.1566986E-13 Laplacian 0.5838639E+00 (-1/4)Del**2(Rho)) -0.1459660E+00 Diamond 0.1086536E+01 Metallicity 0.4463209E+01 Ellipticity 0.9024907E-02 Gb(Abramov) 0.2058901E+00 Vb(Abramov) -0.2658142E+00 Hb(Abramov) -0.5992412E-01 Ex_ueg -0.5376854E-01 Ec_ueg -0.7816278E-02 Delta_ex -0.6162474E-01 Delta_ec 0.1498543E-01 Delta_et -0.1973708E+00 Pxc 0.6879047E+01 Qxc -0.4112309E+01 3,-1 136 3 -1 -0.565779 1.846568 -2.830109 Rho 0.1459972E+00 |GRAD(Rho)| 0.3382014E-14 GRAD(Rho)x 0.1864841E-14 GRAD(Rho)y 0.2744604E-14 GRAD(Rho)z 0.6538620E-15 Laplacian 0.6013566E+00 (-1/4)Del**2(Rho)) -0.1503391E+00 Diamond 0.1174583E+01 Metallicity 0.4638617E+01 Ellipticity 0.1356186E-01 Gb(Abramov) 0.2164537E+00 Vb(Abramov) -0.2825683E+00 Hb(Abramov) -0.6611456E-01 Ex_ueg -0.5677768E-01 Ec_ueg -0.8187769E-02 Delta_ex -0.6410006E-01 Delta_ec 0.1526603E-01 Delta_et -0.2022362E+00 Pxc 0.6934450E+01 Qxc -0.4198869E+01 3,-1 137 3 +3 1.148935 -1.107724 -1.145387 Rho 0.4800902E-02 |GRAD(Rho)| 0.3986392E-17 GRAD(Rho)x -0.3931767E-17 GRAD(Rho)y -0.6455863E-18 GRAD(Rho)z 0.1254957E-18 Laplacian 0.1771961E-01 (-1/4)Del**2(Rho)) -0.4429903E-02 Diamond 0.1146533E-03 Metallicity 0.5313293E+00 Ellipticity -0.8969579E-01 Gb(Abramov) 0.3345558E-02 Vb(Abramov) -0.2261213E-02 Hb(Abramov) 0.1084345E-02 Ex_ueg -0.5981575E-03 Ec_ueg -0.1383549E-03 Delta_ex -0.6029977E-03 Delta_ec 0.7387082E-04 Delta_et -0.5928737E-03 Pxc 0.4323356E+01 Qxc -0.8162867E+01 3,+3 138 3 +1 0.146178 2.966745 -0.116709 Rho 0.4918231E-02 |GRAD(Rho)| 0.2732320E-15 GRAD(Rho)x 0.1972817E-15 GRAD(Rho)y 0.1990880E-16 GRAD(Rho)z -0.1879874E-15 Laplacian 0.1939698E-01 (-1/4)Del**2(Rho)) -0.4849245E-02 Diamond 0.4313563E-03 Metallicity 0.5053132E+00 Ellipticity -0.3151744E+01 Gb(Abramov) 0.3641228E-02 Vb(Abramov) -0.2433211E-02 Hb(Abramov) 0.1208017E-02 Ex_ueg -0.6177276E-03 Ec_ueg -0.1433956E-03 Delta_ex -0.9508343E-03 Delta_ec 0.5920405E-03 Delta_et -0.3206989E-02 Pxc 0.4307854E+01 Qxc -0.1606029E+01 3,+1 139 3 +3 2.409389 0.006570 -0.022295 Rho 0.4086215E-02 |GRAD(Rho)| 0.2071424E-12 GRAD(Rho)x -0.1385819E-12 GRAD(Rho)y 0.1095477E-12 GRAD(Rho)z -0.1081773E-12 Laplacian 0.1603271E-01 (-1/4)Del**2(Rho)) -0.4008177E-02 Diamond 0.1232848E-03 Metallicity 0.4488918E+00 Ellipticity -0.2302804E+00 Gb(Abramov) 0.2971991E-02 Vb(Abramov) -0.1935805E-02 Hb(Abramov) 0.1036186E-02 Ex_ueg -0.4824808E-03 Ec_ueg -0.1078034E-03 Delta_ex -0.5705068E-03 Delta_ec 0.1537699E-03 Delta_et -0.9302918E-03 Pxc 0.4475563E+01 Qxc -0.3710133E+01 3,+3 140 3 -1 0.579788 -1.839368 -2.843473 Rho 0.1674948E+00 |GRAD(Rho)| 0.4126372E-15 GRAD(Rho)x -0.4022932E-15 GRAD(Rho)y -0.5358669E-16 GRAD(Rho)z 0.7455245E-16 Laplacian 0.6837500E+00 (-1/4)Del**2(Rho)) -0.1709375E+00 Diamond 0.1570228E+01 Metallicity 0.5129222E+01 Ellipticity 0.1245681E-01 Gb(Abramov) 0.2600877E+00 Vb(Abramov) -0.3492380E+00 Hb(Abramov) -0.8915024E-01 Ex_ueg -0.6818993E-01 Ec_ueg -0.9572685E-02 Delta_ex -0.7536113E-01 Delta_ec 0.1669210E-01 Delta_et -0.2249128E+00 Pxc 0.7123386E+01 Qxc -0.4514779E+01 3,-1 141 3 +1 0.209220 -0.237564 2.943794 Rho 0.6137019E-02 |GRAD(Rho)| 0.2960661E-15 GRAD(Rho)x 0.2062609E-15 GRAD(Rho)y -0.2045434E-15 GRAD(Rho)z 0.5721511E-16 Laplacian 0.2578173E-01 (-1/4)Del**2(Rho)) -0.6445432E-02 Diamond 0.6832159E-03 Metallicity 0.5498322E+00 Ellipticity -0.2006381E+01 Gb(Abramov) 0.4887606E-02 Vb(Abramov) -0.3329779E-02 Hb(Abramov) 0.1557826E-02 Ex_ueg -0.8298412E-03 Ec_ueg -0.1961668E-03 Delta_ex -0.1257453E-02 Delta_ec 0.6745593E-03 Delta_et -0.3949365E-02 Pxc 0.4230284E+01 Qxc -0.1864111E+01 3,+1 142 3 -1 0.567089 2.803805 1.843548 Rho 0.1641281E+00 |GRAD(Rho)| 0.4614292E-14 GRAD(Rho)x -0.2865275E-14 GRAD(Rho)y -0.8498248E-15 GRAD(Rho)z 0.3515634E-14 Laplacian 0.6743782E+00 (-1/4)Del**2(Rho)) -0.1685946E+00 Diamond 0.1512986E+01 Metallicity 0.5027451E+01 Ellipticity 0.1177862E-01 Gb(Abramov) 0.2536632E+00 Vb(Abramov) -0.3387318E+00 Hb(Abramov) -0.8506863E-01 Ex_ueg -0.6636855E-01 Ec_ueg -0.9353966E-02 Delta_ex -0.7396654E-01 Delta_ec 0.1657469E-01 Delta_et -0.2228623E+00 Pxc 0.7095230E+01 Qxc -0.4462621E+01 3,-1 143 3 -1 0.076925 3.187377 3.247785 Rho 0.2353025E+00 |GRAD(Rho)| 0.1009153E-10 GRAD(Rho)x 0.1938890E-11 GRAD(Rho)y 0.6571624E-11 GRAD(Rho)z 0.7409013E-11 Laplacian 0.8629146E+00 (-1/4)Del**2(Rho)) -0.2157287E+00 Diamond 0.2975591E+01 Metallicity 0.7161810E+01 Ellipticity 0.1794402E-02 Gb(Abramov) 0.4013204E+00 Vb(Abramov) -0.5869121E+00 Hb(Abramov) -0.1855917E+00 Ex_ueg -0.1072886E+00 Ec_ueg -0.1411499E-01 Delta_ex -0.1036965E+00 Delta_ec 0.1912970E-01 Delta_et -0.2645968E+00 Pxc 0.7601041E+01 Qxc -0.5420708E+01 3,-1 144 3 -1 -0.071942 3.243197 -3.250483 Rho 0.2347779E+00 |GRAD(Rho)| 0.2991235E-10 GRAD(Rho)x -0.5676078E-11 GRAD(Rho)y 0.2084891E-10 GRAD(Rho)z -0.2068464E-10 Laplacian 0.8553689E+00 (-1/4)Del**2(Rho)) -0.2138422E+00 Diamond 0.2947896E+01 Metallicity 0.7198163E+01 Ellipticity 0.1306811E-02 Gb(Abramov) 0.3991067E+00 Vb(Abramov) -0.5843711E+00 Hb(Abramov) -0.1852644E+00 Ex_ueg -0.1069698E+00 Ec_ueg -0.1407887E-01 Delta_ex -0.1027641E+00 Delta_ec 0.1903590E-01 Delta_et -0.2635394E+00 Pxc 0.7597898E+01 Qxc -0.5398438E+01 3,-1 145 3 -1 1.833261 2.815788 0.580984 Rho 0.1044797E+00 |GRAD(Rho)| 0.3969558E-15 GRAD(Rho)x 0.2005910E-15 GRAD(Rho)y -0.1344512E-15 GRAD(Rho)z -0.3150556E-15 Laplacian 0.4574885E+00 (-1/4)Del**2(Rho)) -0.1143721E+00 Diamond 0.6231077E+00 Metallicity 0.3491024E+01 Ellipticity 0.1721234E-01 Gb(Abramov) 0.1427941E+00 Vb(Abramov) -0.1712160E+00 Hb(Abramov) -0.2842194E-01 Ex_ueg -0.3634357E-01 Ec_ueg -0.5597206E-02 Delta_ex -0.4541708E-01 Delta_ec 0.1330302E-01 Delta_et -0.1675555E+00 Pxc 0.6493163E+01 Qxc -0.3414042E+01 3,-1 146 3 +1 2.194493 -1.443640 1.045375 Rho 0.2635801E-01 |GRAD(Rho)| 0.3423318E-16 GRAD(Rho)x 0.2982889E-16 GRAD(Rho)y -0.1321612E-16 GRAD(Rho)z 0.1036735E-16 Laplacian 0.1016259E+00 (-1/4)Del**2(Rho)) -0.2540649E-01 Diamond 0.1253205E-01 Metallicity 0.1582934E+01 Ellipticity -0.2463884E+01 Gb(Abramov) 0.2364046E-01 Vb(Abramov) -0.2187443E-01 Hb(Abramov) 0.1766030E-02 Ex_ueg -0.5793422E-02 Ec_ueg -0.1157328E-02 Delta_ex -0.6232168E-02 Delta_ec 0.1405813E-02 Delta_et -0.1263194E-01 Pxc 0.5005860E+01 Qxc -0.4433141E+01 3,+1 147 3 -1 0.484461 -0.465156 0.471493 Rho 0.1826172E+00 |GRAD(Rho)| 0.4907888E-15 GRAD(Rho)x -0.5204170E-16 GRAD(Rho)y 0.2810252E-15 GRAD(Rho)z -0.3989864E-15 Laplacian 0.4898988E+00 (-1/4)Del**2(Rho)) -0.1224747E+00 Diamond 0.1282709E+01 Metallicity 0.8268176E+01 Ellipticity 0.3981622E-02 Gb(Abramov) 0.2504235E+00 Vb(Abramov) -0.3783723E+00 Hb(Abramov) -0.1279488E+00 Ex_ueg -0.7651983E-01 Ec_ueg -0.1056325E-01 Delta_ex -0.5544597E-01 Delta_ec 0.1216497E-01 Delta_et -0.1669010E+00 Pxc 0.7243964E+01 Qxc -0.4557840E+01 3,-1 148 3 -1 0.484433 0.478967 -0.477232 Rho 0.1860479E+00 |GRAD(Rho)| 0.6099225E-15 GRAD(Rho)x -0.3122502E-16 GRAD(Rho)y 0.4093947E-15 GRAD(Rho)z 0.4510281E-15 Laplacian 0.5043829E+00 (-1/4)Del**2(Rho)) -0.1260957E+00 Diamond 0.1345142E+01 Metallicity 0.8283761E+01 Ellipticity 0.4443443E-02 Gb(Abramov) 0.2581550E+00 Vb(Abramov) -0.3902142E+00 Hb(Abramov) -0.1320592E+00 Ex_ueg -0.7844252E-01 Ec_ueg -0.1078981E-01 Delta_ex -0.5731271E-01 Delta_ec 0.1239243E-01 Delta_et -0.1701513E+00 Pxc 0.7270058E+01 Qxc -0.4624815E+01 3,-1 149 3 +1 0.515000 0.527699 1.659033 Rho 0.9087422E-02 |GRAD(Rho)| 0.3128860E-16 GRAD(Rho)x -0.1214782E-16 GRAD(Rho)y -0.1011952E-16 GRAD(Rho)z -0.2700005E-16 Laplacian 0.3551375E-01 (-1/4)Del**2(Rho)) -0.8878439E-02 Diamond 0.1022329E-02 Metallicity 0.7678641E+00 Ellipticity -0.1464013E+01 Gb(Abramov) 0.7055198E-02 Vb(Abramov) -0.5231958E-02 Hb(Abramov) 0.1823240E-02 Ex_ueg -0.1400574E-02 Ec_ueg -0.3268411E-03 Delta_ex -0.1644322E-02 Delta_ec 0.4980523E-03 Delta_et -0.3454018E-02 Pxc 0.4285182E+01 Qxc -0.3301504E+01 3,+1 150 3 -1 -0.008346 -0.019412 2.939724 Rho 0.6262267E-02 |GRAD(Rho)| 0.5719044E-17 GRAD(Rho)x -0.5552233E-17 GRAD(Rho)y -0.1264611E-17 GRAD(Rho)z -0.5300299E-18 Laplacian 0.2502638E-01 (-1/4)Del**2(Rho)) -0.6256595E-02 Diamond 0.9221750E-03 Metallicity 0.5858248E+00 Ellipticity 0.1410161E+01 Gb(Abramov) 0.4781941E-02 Vb(Abramov) -0.3307288E-02 Hb(Abramov) 0.1474654E-02 Ex_ueg -0.8524989E-03 Ec_ueg -0.2016313E-03 Delta_ex -0.1391363E-02 Delta_ec 0.9503306E-03 Delta_et -0.5457652E-02 Pxc 0.4228009E+01 Qxc -0.1464083E+01 3,-1 151 3 -1 0.541125 1.749726 -1.755817 Rho 0.4216047E-01 |GRAD(Rho)| 0.4173401E-16 GRAD(Rho)x 0.1984238E-16 GRAD(Rho)y -0.3203584E-16 GRAD(Rho)z -0.1793635E-16 Laplacian 0.1695242E+00 (-1/4)Del**2(Rho)) -0.4238105E-01 Diamond 0.6708594E-01 Metallicity 0.2075983E+01 Ellipticity 0.1755064E-01 Gb(Abramov) 0.4291776E-01 Vb(Abramov) -0.4345447E-01 Hb(Abramov) -0.5367090E-03 Ex_ueg -0.1083741E-01 Ec_ueg -0.1986351E-02 Delta_ex -0.1331329E-01 Delta_ec 0.4954251E-02 Delta_et -0.4992192E-01 Pxc 0.5455940E+01 Qxc -0.2687245E+01 3,-1 152 3 -1 0.553870 -2.812630 -1.834723 Rho 0.1490602E+00 |GRAD(Rho)| 0.2486731E-15 GRAD(Rho)x 0.1981922E-15 GRAD(Rho)y -0.7087972E-17 GRAD(Rho)z 0.1500265E-15 Laplacian 0.6174324E+00 (-1/4)Del**2(Rho)) -0.1543581E+00 Diamond 0.1233872E+01 Metallicity 0.4676919E+01 Ellipticity 0.9346678E-02 Gb(Abramov) 0.2232255E+00 Vb(Abramov) -0.2920928E+00 Hb(Abramov) -0.6886736E-01 Ex_ueg -0.5837147E-01 Ec_ueg -0.8383380E-02 Delta_ex -0.6612429E-01 Delta_ec 0.1554765E-01 Delta_et -0.2064626E+00 Pxc 0.6962761E+01 Qxc -0.4253010E+01 3,-1 153 3 -1 0.839622 -3.029414 2.033052 Rho 0.1627713E+00 |GRAD(Rho)| 0.7676263E-12 GRAD(Rho)x -0.5460933E-12 GRAD(Rho)y 0.3571296E-12 GRAD(Rho)z 0.4043399E-12 Laplacian 0.6345974E+00 (-1/4)Del**2(Rho)) -0.1586493E+00 Diamond 0.1413604E+01 Metallicity 0.5269200E+01 Ellipticity 0.3694273E-01 Gb(Abramov) 0.2450921E+00 Vb(Abramov) -0.3315349E+00 Hb(Abramov) -0.8644275E-01 Ex_ueg -0.6563804E-01 Ec_ueg -0.9266013E-02 Delta_ex -0.6949524E-01 Delta_ec 0.1569379E-01 Delta_et -0.2109721E+00 Pxc 0.7083741E+01 Qxc -0.4428199E+01 3,-1 154 3 -1 0.848152 -1.997356 3.021314 Rho 0.1480094E+00 |GRAD(Rho)| 0.4432792E-09 GRAD(Rho)x 0.3138695E-09 GRAD(Rho)y 0.2440802E-09 GRAD(Rho)z 0.1959777E-09 Laplacian 0.5772298E+00 (-1/4)Del**2(Rho)) -0.1443075E+00 Diamond 0.1152221E+01 Metallicity 0.4944018E+01 Ellipticity 0.4472098E-01 Gb(Abramov) 0.2151147E+00 Vb(Abramov) -0.2859220E+00 Hb(Abramov) -0.7080730E-01 Ex_ueg -0.5782348E-01 Ec_ueg -0.8316211E-02 Delta_ex -0.6179698E-01 Delta_ec 0.1471387E-01 Delta_et -0.1955485E+00 Pxc 0.6953104E+01 Qxc -0.4199912E+01 3,-1 155 3 -1 0.842578 2.031088 -3.040611 Rho 0.1520460E+00 |GRAD(Rho)| 0.1129634E-12 GRAD(Rho)x 0.1080277E-12 GRAD(Rho)y 0.3278997E-13 GRAD(Rho)z -0.3943907E-14 Laplacian 0.5929378E+00 (-1/4)Del**2(Rho)) -0.1482345E+00 Diamond 0.1218780E+01 Metallicity 0.5033798E+01 Ellipticity 0.2683359E-01 Gb(Abramov) 0.2231867E+00 Vb(Abramov) -0.2981389E+00 Hb(Abramov) -0.7495223E-01 Ex_ueg -0.5993564E-01 Ec_ueg -0.8574617E-02 Delta_ex -0.6386388E-01 Delta_ec 0.1494952E-01 Delta_et -0.1992764E+00 Pxc 0.6989891E+01 Qxc -0.4271967E+01 3,-1 156 3 +1 1.378535 2.202074 -1.105375 Rho 0.2593658E-01 |GRAD(Rho)| 0.5775670E-16 GRAD(Rho)x 0.2188446E-16 GRAD(Rho)y 0.5344637E-16 GRAD(Rho)z 0.6266125E-18 Laplacian 0.1002425E+00 (-1/4)Del**2(Rho)) -0.2506063E-01 Diamond 0.1362699E-01 Metallicity 0.1562245E+01 Ellipticity -0.3814561E+01 Gb(Abramov) 0.2323223E-01 Vb(Abramov) -0.2140382E-01 Hb(Abramov) 0.1828403E-02 Ex_ueg -0.5670248E-02 Ec_ueg -0.1135984E-02 Delta_ex -0.6279138E-02 Delta_ec 0.1670647E-02 Delta_et -0.1488622E-01 Pxc 0.4991484E+01 Qxc -0.3758507E+01 3,+1 157 3 -1 0.841742 3.042953 -2.032623 Rho 0.1423682E+00 |GRAD(Rho)| 0.7278479E-15 GRAD(Rho)x -0.6208142E-15 GRAD(Rho)y -0.1382358E-15 GRAD(Rho)z -0.3538971E-15 Laplacian 0.5545839E+00 (-1/4)Del**2(Rho)) -0.1386460E+00 Diamond 0.1054199E+01 Metallicity 0.4823191E+01 Ellipticity 0.1989333E-01 Gb(Abramov) 0.2038833E+00 Vb(Abramov) -0.2691206E+00 Hb(Abramov) -0.6523733E-01 Ex_ueg -0.5490382E-01 Ec_ueg -0.7956775E-02 Delta_ex -0.5878580E-01 Delta_ec 0.1422786E-01 Delta_et -0.1879320E+00 Pxc 0.6900260E+01 Qxc -0.4131739E+01 3,-1 158 3 +1 2.982551 0.091932 -0.097509 Rho 0.4601939E-02 |GRAD(Rho)| 0.6113385E-17 GRAD(Rho)x 0.1269148E-17 GRAD(Rho)y 0.3772475E-17 GRAD(Rho)z 0.4640169E-17 Laplacian 0.1757499E-01 (-1/4)Del**2(Rho)) -0.4393747E-02 Diamond 0.3629779E-03 Metallicity 0.4992134E+00 Ellipticity -0.3870655E+01 Gb(Abramov) 0.3294734E-02 Vb(Abramov) -0.2195721E-02 Hb(Abramov) 0.1099013E-02 Ex_ueg -0.5653354E-03 Ec_ueg -0.1298230E-03 Delta_ex -0.8562565E-03 Delta_ec 0.5466967E-03 Delta_et -0.2898646E-02 Pxc 0.4354662E+01 Qxc -0.1566237E+01 3,+1 159 3 -1 2.003181 3.050057 -0.894168 Rho 0.1223480E+00 |GRAD(Rho)| 0.2160987E-15 GRAD(Rho)x 0.1409056E-15 GRAD(Rho)y -0.1305108E-16 GRAD(Rho)z 0.1633215E-15 Laplacian 0.4982972E+00 (-1/4)Del**2(Rho)) -0.1245743E+00 Diamond 0.8123557E+00 Metallicity 0.4169842E+01 Ellipticity 0.2158031E-01 Gb(Abramov) 0.1696254E+00 Vb(Abramov) -0.2146765E+00 Hb(Abramov) -0.4505110E-01 Ex_ueg -0.4485880E-01 Ec_ueg -0.6697674E-02 Delta_ex -0.5121836E-01 Delta_ec 0.1379035E-01 Delta_et -0.1787089E+00 Pxc 0.6697669E+01 Qxc -0.3714072E+01 3,-1 160 3 -1 1.985897 -0.851854 3.008551 Rho 0.1226929E+00 |GRAD(Rho)| 0.4614908E-15 GRAD(Rho)x 0.2845014E-15 GRAD(Rho)y 0.2980607E-15 GRAD(Rho)z -0.2078280E-15 Laplacian 0.4816559E+00 (-1/4)Del**2(Rho)) -0.1204140E+00 Diamond 0.7665352E+00 Metallicity 0.4334195E+01 Ellipticity 0.2784349E-01 Gb(Abramov) 0.1672589E+00 Vb(Abramov) -0.2141039E+00 Hb(Abramov) -0.4684495E-01 Ex_ueg -0.4502746E-01 Ec_ueg -0.6719135E-02 Delta_ex -0.4926285E-01 Delta_ec 0.1282471E-01 Delta_et -0.1654639E+00 Pxc 0.6701377E+01 Qxc -0.3841245E+01 3,-1 161 3 -1 2.018625 0.884747 -3.035504 Rho 0.1106064E+00 |GRAD(Rho)| 0.3918595E-13 GRAD(Rho)x 0.2431507E-13 GRAD(Rho)y -0.2660647E-13 GRAD(Rho)z 0.1537568E-13 Laplacian 0.4561183E+00 (-1/4)Del**2(Rho)) -0.1140296E+00 Diamond 0.6597354E+00 Metallicity 0.3850373E+01 Ellipticity 0.9855410E-02 Gb(Abramov) 0.1491958E+00 Vb(Abramov) -0.1843620E+00 Hb(Abramov) -0.3516620E-01 Ex_ueg -0.3921258E-01 Ec_ueg -0.5971911E-02 Delta_ex -0.4579946E-01 Delta_ec 0.1294651E-01 Delta_et -0.1647066E+00 Pxc 0.6566169E+01 Qxc -0.3537592E+01 3,-1 162 3 -1 1.985804 -3.034822 0.876075 Rho 0.1021639E+00 |GRAD(Rho)| 0.5062539E-14 GRAD(Rho)x 0.2725156E-14 GRAD(Rho)y 0.1903547E-14 GRAD(Rho)z -0.3818289E-14 Laplacian 0.4249066E+00 (-1/4)Del**2(Rho)) -0.1062267E+00 Diamond 0.5602035E+00 Metallicity 0.3620890E+01 Ellipticity 0.3140679E-02 Gb(Abramov) 0.1349236E+00 Vb(Abramov) -0.1636206E+00 Hb(Abramov) -0.2869696E-01 Ex_ueg -0.3527348E-01 Ec_ueg -0.5456318E-02 Delta_ex -0.4191331E-01 Delta_ec 0.1232419E-01 Delta_et -0.1544129E+00 Pxc 0.6464703E+01 Qxc -0.3400899E+01 3,-1 163 3 -1 2.832509 1.832448 0.579237 Rho 0.1053396E+00 |GRAD(Rho)| 0.3062081E-15 GRAD(Rho)x 0.2175248E-15 GRAD(Rho)y -0.1552442E-15 GRAD(Rho)z 0.1494844E-15 Laplacian 0.4571147E+00 (-1/4)Del**2(Rho)) -0.1142787E+00 Diamond 0.6286116E+00 Metallicity 0.3541935E+01 Ellipticity 0.2068860E-01 Gb(Abramov) 0.1436470E+00 Vb(Abramov) -0.1730154E+00 Hb(Abramov) -0.2936837E-01 Ex_ueg -0.3674293E-01 Ec_ueg -0.5649624E-02 Delta_ex -0.4546342E-01 Delta_ec 0.1326353E-01 Delta_et -0.1673271E+00 Pxc 0.6503606E+01 Qxc -0.3427703E+01 3,-1 164 3 -1 3.017294 -0.857492 2.034978 Rho 0.1546526E+00 |GRAD(Rho)| 0.3517277E-15 GRAD(Rho)x -0.2894820E-16 GRAD(Rho)y 0.2572812E-15 GRAD(Rho)z 0.2380772E-15 Laplacian 0.6018004E+00 (-1/4)Del**2(Rho)) -0.1504501E+00 Diamond 0.1261488E+01 Metallicity 0.5102183E+01 Ellipticity 0.3505132E-01 Gb(Abramov) 0.2282374E+00 Vb(Abramov) -0.3060247E+00 Hb(Abramov) -0.7778730E-01 Ex_ueg -0.6130953E-01 Ec_ueg -0.8742009E-02 Delta_ex -0.6508103E-01 Delta_ec 0.1509109E-01 Delta_et -0.2015818E+00 Pxc 0.7013208E+01 Qxc -0.4312547E+01 3,-1 165 3 -1 2.870742 -0.585699 -1.851628 Rho 0.1270677E+00 |GRAD(Rho)| 0.5216089E-14 GRAD(Rho)x -0.2576078E-14 GRAD(Rho)y -0.3177119E-15 GRAD(Rho)z 0.4524430E-14 Laplacian 0.5384996E+00 (-1/4)Del**2(Rho)) -0.1346249E+00 Diamond 0.9176584E+00 Metallicity 0.4109791E+01 Ellipticity 0.2283925E-01 Gb(Abramov) 0.1819633E+00 Vb(Abramov) -0.2293017E+00 Hb(Abramov) -0.4733841E-01 Ex_ueg -0.4718080E-01 Ec_ueg -0.6992113E-02 Delta_ex -0.5583712E-01 Delta_ec 0.1474812E-01 Delta_et -0.1923556E+00 Pxc 0.6747718E+01 Qxc -0.3786051E+01 3,-1 166 3 -1 3.235104 -3.274815 -0.055000 Rho 0.2125352E+00 |GRAD(Rho)| 0.3561050E-14 GRAD(Rho)x -0.7372575E-16 GRAD(Rho)y 0.2923226E-14 GRAD(Rho)z -0.2032337E-14 Laplacian 0.7966020E+00 (-1/4)Del**2(Rho)) -0.1991505E+00 Diamond 0.2431262E+01 Metallicity 0.6547715E+01 Ellipticity 0.3102964E-02 Gb(Abramov) 0.3500971E+00 Vb(Abramov) -0.5010437E+00 Hb(Abramov) -0.1509466E+00 Ex_ueg -0.9367552E-01 Ec_ueg -0.1256125E-01 Delta_ex -0.9324144E-01 Delta_ec 0.1819334E-01 Delta_et -0.2503685E+00 Pxc 0.7457501E+01 Qxc -0.5125031E+01 3,-1 167 3 -1 3.021647 -2.013146 0.886573 Rho 0.1094573E+00 |GRAD(Rho)| 0.5486330E-15 GRAD(Rho)x -0.2231153E-15 GRAD(Rho)y -0.2740795E-15 GRAD(Rho)z -0.4196405E-15 Laplacian 0.4489068E+00 (-1/4)Del**2(Rho)) -0.1122267E+00 Diamond 0.6429299E+00 Metallicity 0.3844721E+01 Ellipticity 0.9223451E-02 Gb(Abramov) 0.1467312E+00 Vb(Abramov) -0.1812357E+00 Hb(Abramov) -0.3450449E-01 Ex_ueg -0.3867034E-01 Ec_ueg -0.5901418E-02 Delta_ex -0.4499193E-01 Delta_ec 0.1281867E-01 Delta_et -0.1628161E+00 Pxc 0.6552720E+01 Qxc -0.3509874E+01 3,-1 168 3 -1 2.818489 0.571452 1.839492 Rho 0.1626295E+00 |GRAD(Rho)| 0.3627627E-15 GRAD(Rho)x -0.4370690E-16 GRAD(Rho)y -0.5860113E-16 GRAD(Rho)z 0.3553202E-15 Laplacian 0.6701909E+00 (-1/4)Del**2(Rho)) -0.1675477E+00 Diamond 0.1484758E+01 Metallicity 0.4982115E+01 Ellipticity 0.1253261E-01 Gb(Abramov) 0.2508222E+00 Vb(Abramov) -0.3340966E+00 Hb(Abramov) -0.8327442E-01 Ex_ueg -0.6556182E-01 Ec_ueg -0.9256829E-02 Delta_ex -0.7331845E-01 Delta_ec 0.1647280E-01 Delta_et -0.2211473E+00 Pxc 0.7082536E+01 Qxc -0.4450880E+01 3,-1 169 3 -1 3.191561 0.071976 3.240030 Rho 0.2356796E+00 |GRAD(Rho)| 0.1172677E-14 GRAD(Rho)x 0.8722406E-15 GRAD(Rho)y 0.1832844E-15 GRAD(Rho)z 0.7620857E-15 Laplacian 0.8661381E+00 (-1/4)Del**2(Rho)) -0.2165345E+00 Diamond 0.2991549E+01 Metallicity 0.7154227E+01 Ellipticity 0.1942609E-02 Gb(Abramov) 0.4025459E+00 Vb(Abramov) -0.5885572E+00 Hb(Abramov) -0.1860114E+00 Ex_ueg -0.1075180E+00 Ec_ueg -0.1414097E-01 Delta_ex -0.1041223E+00 Delta_ec 0.1918317E-01 Delta_et -0.2653138E+00 Pxc 0.7603296E+01 Qxc -0.5427797E+01 3,-1 170 3 -1 3.092902 0.884677 -2.026721 Rho 0.1283417E+00 |GRAD(Rho)| 0.1708831E-13 GRAD(Rho)x -0.5921506E-14 GRAD(Rho)y -0.1277735E-13 GRAD(Rho)z -0.9679120E-14 Laplacian 0.5178691E+00 (-1/4)Del**2(Rho)) -0.1294673E+00 Diamond 0.8915522E+00 Metallicity 0.4345164E+01 Ellipticity 0.4992425E-02 Gb(Abramov) 0.1800709E+00 Vb(Abramov) -0.2306746E+00 Hb(Abramov) -0.5060367E-01 Ex_ueg -0.4781257E-01 Ec_ueg -0.7071849E-02 Delta_ex -0.5380634E-01 Delta_ec 0.1411515E-01 Delta_et -0.1843553E+00 Pxc 0.6760972E+01 Qxc -0.3811956E+01 3,-1 171 3 -1 2.847552 -1.851461 -0.602717 Rho 0.1357116E+00 |GRAD(Rho)| 0.9655496E-16 GRAD(Rho)x 0.8962964E-16 GRAD(Rho)y 0.3523657E-16 GRAD(Rho)z -0.6911789E-17 Laplacian 0.5758813E+00 (-1/4)Del**2(Rho)) -0.1439703E+00 Diamond 0.1057162E+01 Metallicity 0.4288532E+01 Ellipticity 0.1514033E-01 Gb(Abramov) 0.1988838E+00 Vb(Abramov) -0.2537972E+00 Hb(Abramov) -0.5491344E-01 Ex_ueg -0.5150797E-01 Ec_ueg -0.7535225E-02 Delta_ex -0.6060546E-01 Delta_ec 0.1542854E-01 Delta_et -0.2032783E+00 Pxc 0.6835625E+01 Qxc -0.3928139E+01 3,-1 172 3 -1 3.247853 3.279797 0.046308 Rho 0.2131745E+00 |GRAD(Rho)| 0.2341060E-14 GRAD(Rho)x 0.1675743E-14 GRAD(Rho)y -0.4971067E-15 GRAD(Rho)z 0.1557348E-14 Laplacian 0.8002875E+00 (-1/4)Del**2(Rho)) -0.2000719E+00 Diamond 0.2450881E+01 Metallicity 0.6550271E+01 Ellipticity 0.2598546E-02 Gb(Abramov) 0.3518021E+00 Vb(Abramov) -0.5035322E+00 Hb(Abramov) -0.1517302E+00 Ex_ueg -0.9405143E-01 Ec_ueg -0.1260449E-01 Delta_ex -0.9374242E-01 Delta_ec 0.1825688E-01 Delta_et -0.2512714E+00 Pxc 0.7461741E+01 Qxc -0.5134635E+01 3,-1 173 3 -1 -3.242853 3.277279 -0.057580 Rho 0.2125635E+00 |GRAD(Rho)| 0.4095672E-15 GRAD(Rho)x 0.3234175E-15 GRAD(Rho)y -0.2294172E-15 GRAD(Rho)z 0.1025384E-15 Laplacian 0.7961432E+00 (-1/4)Del**2(Rho)) -0.1990358E+00 Diamond 0.2430944E+01 Metallicity 0.6552944E+01 Ellipticity 0.2561216E-02 Gb(Abramov) 0.3500689E+00 Vb(Abramov) -0.5011021E+00 Hb(Abramov) -0.1510331E+00 Ex_ueg -0.9369217E-01 Ec_ueg -0.1256316E-01 Delta_ex -0.9319527E-01 Delta_ec 0.1818993E-01 Delta_et -0.2503530E+00 Pxc 0.7457690E+01 Qxc -0.5123455E+01 3,-1 174 3 -1 -3.193938 -3.229109 0.074899 Rho 0.2367411E+00 |GRAD(Rho)| 0.3314325E-14 GRAD(Rho)x 0.2882514E-14 GRAD(Rho)y 0.2196594E-15 GRAD(Rho)z 0.1620991E-14 Laplacian 0.8704190E+00 (-1/4)Del**2(Rho)) -0.2176047E+00 Diamond 0.3023489E+01 Metallicity 0.7172563E+01 Ellipticity 0.1878983E-02 Gb(Abramov) 0.4052005E+00 Vb(Abramov) -0.5927962E+00 Hb(Abramov) -0.1875957E+00 Ex_ueg -0.1081642E+00 Ec_ueg -0.1421413E-01 Delta_ex -0.1047643E+00 Delta_ec 0.1926070E-01 Delta_et -0.2664663E+00 Pxc 0.7609623E+01 Qxc -0.5439278E+01 3,-1 175 3 -1 -2.018968 -0.883725 -3.015210 Rho 0.1100368E+00 |GRAD(Rho)| 0.3210886E-15 GRAD(Rho)x -0.1672382E-15 GRAD(Rho)y -0.2658870E-15 GRAD(Rho)z -0.6658357E-16 Laplacian 0.4554936E+00 (-1/4)Del**2(Rho)) -0.1138734E+00 Diamond 0.6552505E+00 Metallicity 0.3822618E+01 Ellipticity 0.1033736E-01 Gb(Abramov) 0.1484647E+00 Vb(Abramov) -0.1830560E+00 Hb(Abramov) -0.3459129E-01 Ex_ueg -0.3894357E-01 Ec_ueg -0.5936958E-02 Delta_ex -0.4568916E-01 Delta_ec 0.1295719E-01 Delta_et -0.1646972E+00 Pxc 0.6559516E+01 Qxc -0.3526162E+01 3,-1 176 3 -1 -0.847218 -2.034623 -3.021255 Rho 0.1529547E+00 |GRAD(Rho)| 0.2096242E-15 GRAD(Rho)x -0.1944517E-15 GRAD(Rho)y -0.5327498E-16 GRAD(Rho)z -0.5738140E-16 Laplacian 0.5981411E+00 (-1/4)Del**2(Rho)) -0.1495353E+00 Diamond 0.1237641E+01 Metallicity 0.5039808E+01 Ellipticity 0.2830911E-01 Gb(Abramov) 0.2252950E+00 Vb(Abramov) -0.3010548E+00 Hb(Abramov) -0.7575976E-01 Ex_ueg -0.6041368E-01 Ec_ueg -0.8632922E-02 Delta_ex -0.6451255E-01 Delta_ec 0.1504676E-01 Delta_et -0.2007071E+00 Pxc 0.6998057E+01 Qxc -0.4287471E+01 3,-1 177 3 -1 0.545980 1.788685 2.781369 Rho 0.1319747E+00 |GRAD(Rho)| 0.6949430E-12 GRAD(Rho)x 0.4329992E-12 GRAD(Rho)y -0.5221974E-12 GRAD(Rho)z 0.1508884E-12 Laplacian 0.5502231E+00 (-1/4)Del**2(Rho)) -0.1375558E+00 Diamond 0.9539789E+00 Metallicity 0.4284423E+01 Ellipticity 0.1050011E-01 Gb(Abramov) 0.1899284E+00 Vb(Abramov) -0.2423010E+00 Hb(Abramov) -0.5237261E-01 Ex_ueg -0.4962565E-01 Ec_ueg -0.7299827E-02 Delta_ex -0.5724880E-01 Delta_ec 0.1435908E-01 Delta_et -0.1874336E+00 Pxc 0.6798195E+01 Qxc -0.3986940E+01 3,-1 178 3 -1 3.078854 2.035674 -0.890266 Rho 0.1324113E+00 |GRAD(Rho)| 0.4469735E-15 GRAD(Rho)x -0.3015437E-15 GRAD(Rho)y 0.7669375E-16 GRAD(Rho)z 0.3208967E-15 Laplacian 0.5365493E+00 (-1/4)Del**2(Rho)) -0.1341373E+00 Diamond 0.9547904E+00 Metallicity 0.4417858E+01 Ellipticity 0.1412988E-01 Gb(Abramov) 0.1881915E+00 Vb(Abramov) -0.2422457E+00 Hb(Abramov) -0.5405417E-01 Ex_ueg -0.4984462E-01 Ec_ueg -0.7327278E-02 Delta_ex -0.5611561E-01 Delta_ec 0.1442843E-01 Delta_et -0.1892785E+00 Pxc 0.6802611E+01 Qxc -0.3889238E+01 3,-1 179 3 -1 1.798504 -2.826348 -0.584653 Rho 0.1193066E+00 |GRAD(Rho)| 0.5211422E-15 GRAD(Rho)x -0.2953367E-15 GRAD(Rho)y -0.5034086E-16 GRAD(Rho)z -0.4264167E-15 Laplacian 0.5117372E+00 (-1/4)Del**2(Rho)) -0.1279343E+00 Diamond 0.8124786E+00 Metallicity 0.3893499E+01 Ellipticity 0.1875602E-01 Gb(Abramov) 0.1683082E+00 Vb(Abramov) -0.2086821E+00 Hb(Abramov) -0.4037391E-01 Ex_ueg -0.4337813E-01 Ec_ueg -0.6508742E-02 Delta_ex -0.5232913E-01 Delta_ec 0.1431905E-01 Delta_et -0.1848367E+00 Pxc 0.6664595E+01 Qxc -0.3654510E+01 3,-1 180 3 -1 1.848723 -0.588880 -2.839036 Rho 0.1000036E+00 |GRAD(Rho)| 0.5025202E-15 GRAD(Rho)x 0.4087036E-15 GRAD(Rho)y 0.2696953E-15 GRAD(Rho)z 0.1129264E-15 Laplacian 0.4361851E+00 (-1/4)Del**2(Rho)) -0.1090463E+00 Diamond 0.5643013E+00 Metallicity 0.3403834E+01 Ellipticity 0.2122956E-01 Gb(Abramov) 0.1345601E+00 Vb(Abramov) -0.1600739E+00 Hb(Abramov) -0.2551381E-01 Ex_ueg -0.3428251E-01 Ec_ueg -0.5325270E-02 Delta_ex -0.4288035E-01 Delta_ec 0.1282812E-01 Delta_et -0.1601655E+00 Pxc 0.6437703E+01 Qxc -0.3342683E+01 3,-1 181 3 -1 3.274577 -0.042037 -3.283471 Rho 0.2123566E+00 |GRAD(Rho)| 0.3946765E-10 GRAD(Rho)x 0.2629253E-10 GRAD(Rho)y -0.6850410E-11 GRAD(Rho)z -0.2862638E-10 Laplacian 0.7943460E+00 (-1/4)Del**2(Rho)) -0.1985865E+00 Diamond 0.2424207E+01 Metallicity 0.6557117E+01 Ellipticity 0.2085347E-02 Gb(Abramov) 0.3494168E+00 Vb(Abramov) -0.5002471E+00 Hb(Abramov) -0.1508303E+00 Ex_ueg -0.9357057E-01 Ec_ueg -0.1254917E-01 Delta_ex -0.9297153E-01 Delta_ec 0.1817162E-01 Delta_et -0.2501525E+00 Pxc 0.7456315E+01 Qxc -0.5116303E+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 79 107 116 106 154 153 129 113 140 152 176 105 130 151 136 101 155 157 144 122 177 142 110 121 143 114 171 179 167 162 166 98 163 145 178 159 172 59 85 100 64 102 173 56 77 95 75 94 174 73 66 87 69 175 74 79 70 91 62 86 78 117 168 135 164 160 169 123 165 180 170 161 181 147 124 148 127 81 150 76 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 22 26 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 24 28 2.407578 1.951633 1.943906 1.930420 1.893598 1.749610 2.424926 1.873227 1.918685 1.918388 2.034932 1.751880 2.436677 1.926769 1.936593 1.920522 1.946457 1.751962 2.403631 1.964707 1.880914 1.994223 1.896049 1.750971 2.429312 1.951068 1.998477 2.043107 2.069734 1.790382 2.424645 2.045964 2.048885 1.969512 1.999357 1.789140 2.433812 1.954942 1.983727 2.055250 2.069437 1.790331 2.392905 1.968537 1.957055 1.900502 1.909909 1.748493 2.447590 1.967280 1.993100 2.052371 2.041164 1.789869 2.394579 1.937054 1.947697 1.902384 1.939596 1.749176 2.387855 1.884180 1.941166 1.913882 2.004966 1.750314 2.446442 1.976800 2.066044 1.981938 2.038902 1.790716 1.706408 1.703896 1.698137 1.706036 3.332266 3.187813 3.261204 2.409389 1.952061 1.944332 1.930991 1.894049 1.749619 2.426434 1.873492 1.919026 1.918921 2.035446 1.751890 2.438230 1.927109 1.936934 1.921039 1.946992 1.751969 2.405381 1.965106 1.881200 1.994818 1.896494 1.750981 2.431279 1.951252 1.998752 2.043402 2.070053 1.790384 2.426704 2.046161 2.049080 1.969842 1.999742 1.789146 2.435807 1.955126 1.984007 2.055549 2.069750 1.790335 2.394828 1.968969 1.957504 1.900979 1.910462 1.748502 2.449627 1.967467 1.993389 2.052678 2.041465 1.789873 2.396418 1.937514 1.948122 1.902870 1.940165 1.749185 2.389584 1.884469 1.941596 1.914397 2.005558 1.750323 2.447955 1.976984 2.066230 1.982249 2.039218 1.790720 1.706411 1.703902 1.698141 1.706039 3.338553 3.190911 3.265778 27 25 25 27 26 22 27 25 28 24 25 22 30 25 24 26 28 21 27 25 24 25 25 23 27 25 25 24 27 22 27 25 24 24 27 23 29 24 26 27 27 22 30 27 25 26 24 22 31 28 26 26 24 24 30 27 24 27 26 23 27 25 26 27 28 22 27 29 25 25 26 23 21 22 24 22 35 35 35 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 W W W Ta Ta Ta W Ta W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 2.4540 2.4426 2.4324 2.4503 2.2289 2.2237 2.2278 2.4503 2.2276 2.4542 2.4506 2.2164 -1.1254 -1.1191 -1.1110 -1.1243 -0.9696 -1.0174 -1.0150 -0.9744 -0.9734 -0.9712 -0.9923 -0.9688 -0.9942 -0.9701 -0.9738 -0.9889 -1.0004 -0.9911 -1.0324 -0.9934 -0.9856 -1.0054 -0.9862 -1.0072 -0.9814 -0.9952 -0.9909 -1.0092 -0.8321 -0.8424 -0.8447 -0.8371 -0.9362 -0.9313 -0.9364 -0.8272 -0.9357 -0.8299 -0.8342 -0.9383 2.5341 2.0950 2.1039 2.1111 2.0991 2.1045 2.1066 2.1045 2.0984 2.1047 2.0964 2.1002 2.1110 1.9359 1.9372 1.9386 1.9361 1.9294 1.9235 1.9242 1.9302 1.9310 1.9295 1.9269 1.9297 1.9267 1.9294 1.9304 1.9278 1.9375 1.9378 1.9308 1.9380 1.9387 1.9357 1.9385 1.9365 1.9391 1.9385 1.9387 1.9347 1.9591 1.9590 1.9585 1.9590 1.9425 1.9428 1.9425 1.9598 1.9426 1.9595 1.9595 1.9422 0.8256 6.0917 6.0991 6.1043 6.0942 6.0751 6.0757 6.0751 6.0933 6.0765 6.0922 6.0948 6.0797 5.1515 5.1441 5.1353 5.1503 5.0116 5.0694 5.0658 5.0167 5.0146 5.0131 5.0388 5.0103 5.0411 5.0119 5.0157 5.0341 5.0346 5.0244 5.0753 5.0267 5.0168 5.0419 5.0177 5.0428 5.0122 5.0281 5.0234 5.0465 4.8394 4.8503 4.8532 4.8448 4.9669 4.9615 4.9671 4.8337 4.9661 4.8368 4.8413 4.9693 1.1000 3.3297 3.3250 3.3228 3.3269 2.5574 2.5600 2.5584 3.3285 2.5571 3.3277 3.3248 2.5590 0.0380 0.0378 0.0371 0.0379 0.0286 0.0245 0.0250 0.0275 0.0278 0.0286 0.0266 0.0288 0.0264 0.0287 0.0277 0.0270 0.0284 0.0289 0.0263 0.0287 0.0301 0.0277 0.0300 0.0279 0.0301 0.0286 0.0288 0.0280 0.0335 0.0331 0.0330 0.0333 0.0269 0.0270 0.0269 0.0337 0.0269 0.0336 0.0334 0.0268 10.5403 14.0296 14.0294 14.0294 14.0295 14.0341 14.0340 14.0341 14.0294 14.0341 14.0296 14.0295 14.0340 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 W W W Ta Ta Ta W Ta W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 2.503905 2.496647 2.499816 2.500480 2.362819 2.365654 2.362242 2.505287 2.363555 2.505050 2.501868 2.362578 -1.096653 -1.096021 -1.098471 -1.096452 -0.984518 -1.045065 -1.041301 -0.996044 -0.997182 -0.988043 -1.015038 -0.983631 -1.017781 -0.983642 -0.995256 -1.010659 -0.996624 -0.990480 -1.039211 -0.992036 -0.977835 -1.007301 -0.978375 -1.004122 -0.975192 -0.993571 -0.991018 -1.009661 -0.876370 -0.887850 -0.891604 -0.881867 -1.018262 -1.012373 -1.018400 -0.870545 -1.017265 -0.873818 -0.878551 -1.021240 2.319425 1.928054 1.931318 1.931651 1.929893 1.842412 1.849801 1.842010 1.933341 1.843300 1.929214 1.931303 1.846486 -0.727944 -0.727868 -0.731165 -0.728026 -0.736964 -0.805886 -0.804541 -0.769750 -0.771029 -0.731480 -0.771463 -0.728539 -0.771359 -0.730963 -0.764700 -0.767661 -0.842809 -0.839084 -0.880732 -0.841318 -0.816433 -0.847088 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Jun20-2024 06:43:35 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:43:38 Nodes: 1 Procs: 1 Jun20-2024 06:43:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 06:43:41 Nodes: 1 Procs: 1 Jun20-2024 06:43:44 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 06:43:48 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -17.56277120 -17.72288886 -17.73603658 -17.74281029 -17.74464253 -17.74594029 -17.74654086 -17.74717807 -17.74752821 -17.74773212 -17.74781005 -17.74784707 -17.74786280 GEOMETRY CONVERGED