ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:38:54 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.04 7.73 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 Jun19-2024 21:38:54 Nodes: 1 Procs: 1 Jun19-2024 21:38:59 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:39:07 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.06 3.71 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 Jun19-2024 21:38:54 Nodes: 1 Procs: 1 Jun19-2024 21:38:59 Nodes: 1 Procs: 1 0 Jun19-2024 21:39:07 Nodes: 1 Procs: 1 Jun19-2024 21:39:11 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:39:15 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 14.16 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 Jun19-2024 21:38:54 Nodes: 1 Procs: 1 Jun19-2024 21:38:59 Nodes: 1 Procs: 1 0 Jun19-2024 21:39:07 Nodes: 1 Procs: 1 Jun19-2024 21:39:11 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 21:39:15 Nodes: 1 Procs: 1 Jun19-2024 21:39:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:39:36 Arsenic (TZP, 3p frozen) c11-22 c11-22 c11-22 c11-22 c11-22 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.57 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 Jun19-2024 21:38:54 Nodes: 1 Procs: 1 Jun19-2024 21:38:59 Nodes: 1 Procs: 1 0 Jun19-2024 21:39:07 Nodes: 1 Procs: 1 Jun19-2024 21:39:11 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 21:39:15 Nodes: 1 Procs: 1 Jun19-2024 21:39:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 21:39:36 Nodes: 1 Procs: 1 Jun19-2024 21:39:39 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:39:45 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2261.8927999999996 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-1.760794 3.424985 -0.005285 0.190778 -2.993491 1.763140 -1.886043 1.523073 -0.001358 3.154983 3.121193 1.875349 -1.950342 -0.709752 -1.328668 3.128582 -0.047231 3.543767 -1.807859 -1.664826 -2.896372 0.374915 -1.645602 2.957054 0.321789 -0.102285 -3.484612 -1.783358 -0.717217 1.319561 3.155824 3.104710 -1.877045 -1.954314 2.747838 -2.092552 2.076952 4.831163 2.614373 0.195954 2.754675 2.084834 2.089500 -4.210529 -0.075171 -0.103406 0.438860 -3.462758 2.101279 2.021617 3.658320 -0.048209 -3.234279 -1.424414 2.027892 -4.561167 -2.924902 0.081734 -3.270603 1.382738 2.069161 2.000447 -3.670775 -0.066262 0.433725 3.454163 2.100719 -0.269696 -5.391639 0.213740 1.468719 -2.515731 4.593598 -0.211338 5.427677 0.216011 -2.943794 -0.032413 4.610795 -2.227847 0.010219 2.914025 3.129705 -1.928272 -0.118978 -3.223581 1.748717 -0.063447 3.138643 1.922916 -0.115437 -0.016472 0.000064 -0.364816 1 3 -3 0.080221 -3.642086 -0.016072 Rho 0.4361415E+07 3,-3 2 3 -3 0.093138 3.671792 -0.034101 Rho 0.4361415E+07 3,-3 3 3 -3 1.105204 1.911369 2.940742 Rho 0.4361415E+07 3,-3 4 3 -3 -3.222245 -1.725526 -0.007067 Rho 0.4361415E+07 3,-3 5 3 -3 1.103215 -1.909630 2.945500 Rho 0.4361415E+07 3,-3 6 3 -3 4.818672 -2.632480 0.183709 Rho 0.3189560E+03 3,-3 7 3 -3 1.469139 2.517450 4.588493 Rho 0.3190746E+03 3,-3 8 3 -3 -4.653320 2.919688 0.099247 Rho 0.3189609E+03 3,-3 9 3 -3 0.794577 -1.414090 0.325823 Rho 0.3190261E+03 3,-3 10 3 -3 0.014025 0.006934 -2.018360 Rho 0.3191369E+03 3,-3 11 3 -3 0.794145 1.408474 0.331710 Rho 0.3190393E+03 3,-3 12 3 -3 -1.631100 -0.001761 0.353811 Rho 0.3189954E+03 3,-3 13 3 -3 -2.855817 -1.761061 -1.760794 Rho 0.3191495E+03 3,-3 14 3 -3 3.424985 -0.005285 0.190778 Rho 0.3187625E+03 3,-3 15 3 -3 -2.993491 1.763140 -1.886043 Rho 0.3190238E+03 3,-3 16 3 -3 1.523073 -0.001358 3.154983 Rho 0.3188461E+03 3,-3 17 3 -3 3.121193 1.875349 -1.950342 Rho 0.3190035E+03 3,-3 18 3 -3 -0.709752 -1.328668 3.128582 Rho 0.3188601E+03 3,-3 19 3 -3 -0.047231 3.543767 -1.807859 Rho 0.3191391E+03 3,-3 20 3 -3 -1.664826 -2.896372 0.374915 Rho 0.3188218E+03 3,-3 21 3 -3 -1.645602 2.957054 0.321789 Rho 0.3188053E+03 3,-3 22 3 -3 -0.102285 -3.484612 -1.783358 Rho 0.3191487E+03 3,-3 23 3 -3 -0.717217 1.319561 3.155824 Rho 0.3188425E+03 3,-3 24 3 -3 3.104710 -1.877045 -1.954314 Rho 0.3190036E+03 3,-3 25 3 -3 2.747838 -2.092552 2.076952 Rho 0.3189631E+03 3,-3 26 3 -3 4.831163 2.614373 0.195954 Rho 0.3189554E+03 3,-3 27 3 -3 2.754675 2.084834 2.089500 Rho 0.3189696E+03 3,-3 28 3 -3 -4.210529 -0.075171 -0.103406 Rho 0.3188492E+03 3,-3 29 3 -3 0.438860 -3.462758 2.101279 Rho 0.3189307E+03 3,-3 30 3 -3 2.021617 3.658320 -0.048209 Rho 0.3188531E+03 3,-3 31 3 -3 -3.234279 -1.424414 2.027892 Rho 0.3188633E+03 3,-3 32 3 -3 -4.561167 -2.924902 0.081734 Rho 0.3190683E+03 3,-3 33 3 -3 -3.270603 1.382738 2.069161 Rho 0.3188778E+03 3,-3 34 3 -3 2.000447 -3.670775 -0.066262 Rho 0.3188600E+03 3,-3 35 3 -3 0.433725 3.454163 2.100719 Rho 0.3189391E+03 3,-3 36 3 -3 -0.269696 -5.391639 0.213740 Rho 0.3190716E+03 3,-3 37 3 -3 1.468719 -2.515731 4.593598 Rho 0.3190721E+03 3,-3 38 3 -3 -0.211338 5.427677 0.216011 Rho 0.3190658E+03 3,-3 39 3 -3 -2.943794 -0.032413 4.610795 Rho 0.3189760E+03 3,-3 40 3 -3 -2.227847 0.010219 2.914025 Rho 0.3882648E+07 3,-3 41 3 -3 3.129705 -1.928272 -0.118978 Rho 0.3882647E+07 3,-3 42 3 -3 -3.223581 1.748717 -0.063447 Rho 0.3882647E+07 3,-3 43 3 -3 3.138643 1.922916 -0.115437 Rho 0.3882647E+07 3,-3 44 3 -3 -0.016472 0.000064 -0.364816 Rho 0.4276106E+05 3,-3 45 3 +1 -0.494339 0.839300 1.490868 Rho 0.5271220E-02 |GRAD(Rho)| 0.3009165E-17 GRAD(Rho)x -0.1365458E-17 GRAD(Rho)y -0.7527158E-18 GRAD(Rho)z 0.2573716E-17 Laplacian 0.1955373E-01 (-1/4)Del**2(Rho)) -0.4888432E-02 Diamond 0.2861060E-03 Metallicity 0.5626462E+00 Ellipticity -0.1377202E+01 Gb(Abramov) 0.3717364E-02 Vb(Abramov) -0.2546297E-02 Hb(Abramov) 0.1171068E-02 Ex_ueg -0.6775373E-03 Ec_ueg -0.1586031E-03 Delta_ex -0.8061203E-03 Delta_ec 0.3013750E-03 Delta_et -0.1789185E-02 Pxc 0.4271905E+01 Qxc -0.2674809E+01 3,+1 46 3 +1 -2.887419 0.241401 0.079630 Rho 0.2549887E-01 |GRAD(Rho)| 0.3383847E-16 GRAD(Rho)x 0.3138320E-16 GRAD(Rho)y -0.1985961E-17 GRAD(Rho)z 0.1249771E-16 Laplacian 0.9535869E-01 (-1/4)Del**2(Rho)) -0.2383967E-01 Diamond 0.1112300E-01 Metallicity 0.1596324E+01 Ellipticity -0.2500077E+01 Gb(Abramov) 0.2223575E-01 Vb(Abramov) -0.2063184E-01 Hb(Abramov) 0.1603918E-02 Ex_ueg -0.5543017E-02 Ec_ueg -0.1113864E-02 Delta_ex -0.5783131E-02 Delta_ec 0.1298462E-02 Delta_et -0.1158684E-01 Pxc 0.4976386E+01 Qxc -0.4453833E+01 3,+1 47 3 +3 1.885016 -0.005323 1.310263 Rho 0.3116128E-02 |GRAD(Rho)| 0.2129168E-16 GRAD(Rho)x -0.1153561E-16 GRAD(Rho)y -0.1747735E-16 GRAD(Rho)z -0.3848015E-17 Laplacian 0.1243854E-01 (-1/4)Del**2(Rho)) -0.3109634E-02 Diamond 0.6904445E-04 Metallicity 0.3683009E+00 Ellipticity -0.5946580E-01 Gb(Abramov) 0.2263969E-02 Vb(Abramov) -0.1418305E-02 Hb(Abramov) 0.8456645E-03 Ex_ueg -0.3361544E-03 Ec_ueg -0.6676534E-04 Delta_ex -0.4186145E-03 Delta_ec 0.1278668E-03 Delta_et -0.7115667E-03 Pxc 0.5034864E+01 Qxc -0.3273833E+01 3,+3 48 3 -1 -2.380950 -0.849986 0.163693 Rho 0.5030538E-01 |GRAD(Rho)| 0.1761966E-15 GRAD(Rho)x 0.9869543E-16 GRAD(Rho)y 0.1443641E-15 GRAD(Rho)z 0.2152808E-16 Laplacian 0.1901240E+00 (-1/4)Del**2(Rho)) -0.4753101E-01 Diamond 0.9633488E-01 Metallicity 0.2484660E+01 Ellipticity 0.1714205E-01 Gb(Abramov) 0.5137040E-01 Vb(Abramov) -0.5520980E-01 Hb(Abramov) -0.3839396E-02 Ex_ueg -0.1371527E-01 Ec_ueg -0.2431761E-02 Delta_ex -0.1563746E-01 Delta_ec 0.5600161E-02 Delta_et -0.5912780E-01 Pxc 0.5640056E+01 Qxc -0.2792323E+01 3,-1 49 3 -1 -3.215876 -1.556965 1.066040 Rho 0.1083678E+00 |GRAD(Rho)| 0.5897043E-15 GRAD(Rho)x -0.6014786E-16 GRAD(Rho)y -0.2343910E-16 GRAD(Rho)z -0.5861604E-15 Laplacian 0.4375995E+00 (-1/4)Del**2(Rho)) -0.1093999E+00 Diamond 0.5908223E+00 Metallicity 0.3878857E+01 Ellipticity 0.1863734E-01 Gb(Abramov) 0.1436577E+00 Vb(Abramov) -0.1779154E+00 Hb(Abramov) -0.3425778E-01 Ex_ueg -0.3815800E-01 Ec_ueg -0.5834676E-02 Delta_ex -0.4332003E-01 Delta_ec 0.1174424E-01 Delta_et -0.1478359E+00 Pxc 0.6539867E+01 Qxc -0.3688620E+01 3,-1 50 3 -1 -3.942446 -2.369607 0.041891 Rho 0.2071154E+00 |GRAD(Rho)| 0.1551800E-13 GRAD(Rho)x 0.3977070E-14 GRAD(Rho)y 0.1496844E-13 GRAD(Rho)z -0.9680604E-15 Laplacian 0.7719904E+00 (-1/4)Del**2(Rho)) -0.1929976E+00 Diamond 0.2300044E+01 Metallicity 0.6471753E+01 Ellipticity 0.1920422E-01 Gb(Abramov) 0.3368372E+00 Vb(Abramov) -0.4806768E+00 Hb(Abramov) -0.1438396E+00 Ex_ueg -0.9050411E-01 Ec_ueg -0.1219559E-01 Delta_ex -0.8986575E-01 Delta_ec 0.1794366E-01 Delta_et -0.2471780E+00 Pxc 0.7421050E+01 Qxc -0.5008218E+01 3,-1 51 3 -1 -3.988606 2.374065 0.024863 Rho 0.1793147E+00 |GRAD(Rho)| 0.2058526E-15 GRAD(Rho)x 0.1106428E-15 GRAD(Rho)y -0.1647987E-15 GRAD(Rho)z -0.5454215E-16 Laplacian 0.6848280E+00 (-1/4)Del**2(Rho)) -0.1712070E+00 Diamond 0.1729052E+01 Metallicity 0.5737529E+01 Ellipticity 0.2573273E-01 Gb(Abramov) 0.2778555E+00 Vb(Abramov) -0.3845040E+00 Hb(Abramov) -0.1066485E+00 Ex_ueg -0.7468034E-01 Ec_ueg -0.1034580E-01 Delta_ex -0.7695661E-01 Delta_ec 0.1673343E-01 Delta_et -0.2280896E+00 Pxc 0.7218420E+01 Qxc -0.4598974E+01 3,-1 52 3 -1 -3.239792 1.550374 1.057423 Rho 0.8195865E-01 |GRAD(Rho)| 0.1228191E-12 GRAD(Rho)x 0.1200654E-12 GRAD(Rho)y -0.2356589E-13 GRAD(Rho)z 0.1065276E-13 Laplacian 0.3436706E+00 (-1/4)Del**2(Rho)) -0.8591764E-01 Diamond 0.3419695E+00 Metallicity 0.3100717E+01 Ellipticity 0.8753871E-02 Gb(Abramov) 0.1016795E+00 Vb(Abramov) -0.1174413E+00 Hb(Abramov) -0.1576184E-01 Ex_ueg -0.2629328E-01 Ec_ueg -0.4245823E-02 Delta_ex -0.3212681E-01 Delta_ec 0.1023508E-01 Delta_et -0.1221350E+00 Pxc 0.6192741E+01 Qxc -0.3138893E+01 3,-1 53 3 -1 -2.378782 0.859307 0.129252 Rho 0.4544884E-01 |GRAD(Rho)| 0.2124049E-12 GRAD(Rho)x 0.1419740E-12 GRAD(Rho)y 0.4977885E-13 GRAD(Rho)z 0.1499376E-12 Laplacian 0.1857656E+00 (-1/4)Del**2(Rho)) -0.4644141E-01 Diamond 0.8907320E-01 Metallicity 0.2147101E+01 Ellipticity 0.2062183E-01 Gb(Abramov) 0.4758000E-01 Vb(Abramov) -0.4871859E-01 Hb(Abramov) -0.1138594E-02 Ex_ueg -0.1197886E-01 Ec_ueg -0.2164891E-02 Delta_ex -0.1524043E-01 Delta_ec 0.6094953E-02 Delta_et -0.6279179E-01 Pxc 0.5533238E+01 Qxc -0.2500501E+01 3,-1 54 3 -1 -2.389004 -2.336050 0.189990 Rho 0.1251922E+00 |GRAD(Rho)| 0.1463791E-15 GRAD(Rho)x -0.1568027E-16 GRAD(Rho)y -0.1455338E-15 GRAD(Rho)z -0.9452888E-18 Laplacian 0.5134774E+00 (-1/4)Del**2(Rho)) -0.1283693E+00 Diamond 0.8422870E+00 Metallicity 0.4204560E+01 Ellipticity 0.6878038E-02 Gb(Abramov) 0.1755357E+00 Vb(Abramov) -0.2227020E+00 Hb(Abramov) -0.4716633E-01 Ex_ueg -0.4625458E-01 Ec_ueg -0.6874927E-02 Delta_ex -0.5283592E-01 Delta_ec 0.1372165E-01 Delta_et -0.1778435E+00 Pxc 0.6728010E+01 Qxc -0.3850552E+01 3,-1 55 3 -1 -3.734514 -0.839832 -0.054712 Rho 0.1503185E+00 |GRAD(Rho)| 0.1212264E-14 GRAD(Rho)x 0.6538010E-15 GRAD(Rho)y -0.8964726E-15 GRAD(Rho)z 0.4883280E-15 Laplacian 0.5716447E+00 (-1/4)Del**2(Rho)) -0.1429112E+00 Diamond 0.1166262E+01 Metallicity 0.5122804E+01 Ellipticity 0.3761564E-01 Gb(Abramov) 0.2172918E+00 Vb(Abramov) -0.2916724E+00 Hb(Abramov) -0.7438059E-01 Ex_ueg -0.5902939E-01 Ec_ueg -0.8463906E-02 Delta_ex -0.6146964E-01 Delta_ec 0.1458265E-01 Delta_et -0.1943808E+00 Pxc 0.6974250E+01 Qxc -0.4215260E+01 3,-1 56 3 +1 -3.408041 -0.001215 1.247142 Rho 0.1136545E-01 |GRAD(Rho)| 0.3354198E-14 GRAD(Rho)x 0.1712136E-14 GRAD(Rho)y -0.2871243E-14 GRAD(Rho)z 0.2742269E-15 Laplacian 0.4740651E-01 (-1/4)Del**2(Rho)) -0.1185163E-01 Diamond 0.1375508E-02 Metallicity 0.8351282E+00 Ellipticity -0.1189352E+01 Gb(Abramov) 0.9550690E-02 Vb(Abramov) -0.7249752E-02 Hb(Abramov) 0.2300938E-02 Ex_ueg -0.1887270E-02 Ec_ueg -0.4303559E-03 Delta_ex -0.2176686E-02 Delta_ec 0.4002518E-03 Delta_et -0.3131424E-02 Pxc 0.4385371E+01 Qxc -0.5438292E+01 3,+1 57 3 +1 -1.308238 -2.047428 1.749315 Rho 0.5147150E-02 |GRAD(Rho)| 0.1780595E-16 GRAD(Rho)x -0.1397430E-16 GRAD(Rho)y 0.7707584E-17 GRAD(Rho)z -0.7897085E-17 Laplacian 0.2034507E-01 (-1/4)Del**2(Rho)) -0.5086266E-02 Diamond 0.5120035E-03 Metallicity 0.5197152E+00 Ellipticity -0.5564376E+01 Gb(Abramov) 0.3831413E-02 Vb(Abramov) -0.2576559E-02 Hb(Abramov) 0.1254854E-02 Ex_ueg -0.6563580E-03 Ec_ueg -0.1532507E-03 Delta_ex -0.1033920E-02 Delta_ec 0.6704586E-03 Delta_et -0.3660987E-02 Pxc 0.4282903E+01 Qxc -0.1542109E+01 3,+1 58 3 +1 -0.917524 1.537850 0.165789 Rho 0.8389864E-02 |GRAD(Rho)| 0.5374144E-13 GRAD(Rho)x 0.1293522E-13 GRAD(Rho)y -0.5214713E-13 GRAD(Rho)z -0.1224483E-14 Laplacian 0.3323346E-01 (-1/4)Del**2(Rho)) -0.8308364E-02 Diamond 0.8559640E-03 Metallicity 0.7182834E+00 Ellipticity -0.1412621E+01 Gb(Abramov) 0.6533536E-02 Vb(Abramov) -0.4758708E-02 Hb(Abramov) 0.1774828E-02 Ex_ueg -0.1259094E-02 Ec_ueg -0.2955879E-03 Delta_ex -0.1506938E-02 Delta_ec 0.4643844E-03 Delta_et -0.3156577E-02 Pxc 0.4259628E+01 Qxc -0.3245023E+01 3,+1 59 3 +3 -3.112324 0.011892 1.117977 Rho 0.1103761E-01 |GRAD(Rho)| 0.7520832E-16 GRAD(Rho)x 0.6878903E-16 GRAD(Rho)y 0.1391018E-17 GRAD(Rho)z -0.3037146E-16 Laplacian 0.4513274E-01 (-1/4)Del**2(Rho)) -0.1128319E-01 Diamond 0.8029174E-03 Metallicity 0.8354362E+00 Ellipticity -0.6053616E+00 Gb(Abramov) 0.9093187E-02 Vb(Abramov) -0.6903189E-02 Hb(Abramov) 0.2189998E-02 Ex_ueg -0.1815036E-02 Ec_ueg -0.4153261E-03 Delta_ex -0.1908644E-02 Delta_ec 0.1187552E-03 Delta_et -0.1246526E-02 Pxc 0.4370147E+01 Qxc -0.1607209E+02 3,+3 60 3 -1 -3.022386 -1.742182 -0.950009 Rho 0.2106181E+00 |GRAD(Rho)| 0.7556356E-14 GRAD(Rho)x 0.4808071E-14 GRAD(Rho)y 0.4387261E-14 GRAD(Rho)z 0.3838347E-14 Laplacian 0.8409857E+00 (-1/4)Del**2(Rho)) -0.2102464E+00 Diamond 0.2506425E+01 Metallicity 0.6109194E+01 Ellipticity 0.4011198E-02 Gb(Abramov) 0.3542370E+00 Vb(Abramov) -0.4982275E+00 Hb(Abramov) -0.1439906E+00 Ex_ueg -0.9255060E-01 Ec_ueg -0.1243172E-01 Delta_ex -0.9800135E-01 Delta_ec 0.1888849E-01 Delta_et -0.2584083E+00 Pxc 0.7444713E+01 Qxc -0.5188417E+01 3,-1 61 3 +1 -2.287345 -0.492195 1.428769 Rho 0.2093866E-01 |GRAD(Rho)| 0.3262084E-16 GRAD(Rho)x 0.5501402E-17 GRAD(Rho)y -0.1167101E-16 GRAD(Rho)z -0.2996066E-16 Laplacian 0.7455179E-01 (-1/4)Del**2(Rho)) -0.1863795E-01 Diamond 0.6736665E-02 Metallicity 0.1470291E+01 Ellipticity -0.2499658E+01 Gb(Abramov) 0.1699250E-01 Vb(Abramov) -0.1534705E-01 Hb(Abramov) 0.1645448E-02 Ex_ueg -0.4262362E-02 Ec_ueg -0.8864905E-03 Delta_ex -0.4299187E-02 Delta_ec 0.1043085E-02 Delta_et -0.8888485E-02 Pxc 0.4808130E+01 Qxc -0.4121607E+01 3,+1 62 3 +1 -2.339674 0.554073 1.352772 Rho 0.2069893E-01 |GRAD(Rho)| 0.1708817E-16 GRAD(Rho)x -0.7314931E-18 GRAD(Rho)y -0.2398132E-17 GRAD(Rho)z 0.1690324E-16 Laplacian 0.7239684E-01 (-1/4)Del**2(Rho)) -0.1809921E-01 Diamond 0.7485656E-02 Metallicity 0.1485275E+01 Ellipticity -0.5691536E+01 Gb(Abramov) 0.1654652E-01 Vb(Abramov) -0.1499384E-01 Hb(Abramov) 0.1552686E-02 Ex_ueg -0.4197420E-02 Ec_ueg -0.8747010E-03 Delta_ex -0.4308124E-02 Delta_ec 0.1274025E-02 Delta_et -0.1071556E-01 Pxc 0.4798691E+01 Qxc -0.3381507E+01 3,+1 63 3 -1 -2.777027 0.739859 2.455630 Rho 0.1517168E+00 |GRAD(Rho)| 0.1940035E-15 GRAD(Rho)x -0.5627009E-16 GRAD(Rho)y 0.1450663E-15 GRAD(Rho)z -0.1158741E-15 Laplacian 0.6033724E+00 (-1/4)Del**2(Rho)) -0.1508431E+00 Diamond 0.1257689E+01 Metallicity 0.4928908E+01 Ellipticity 0.1928167E-01 Gb(Abramov) 0.2244774E+00 Vb(Abramov) -0.2981116E+00 Hb(Abramov) -0.7363427E-01 Ex_ueg -0.5976269E-01 Ec_ueg -0.8553507E-02 Delta_ex -0.6515601E-01 Delta_ec 0.1558318E-01 Delta_et -0.2085139E+00 Pxc 0.6986922E+01 Qxc -0.4181175E+01 3,-1 64 3 -1 -2.611838 -0.012465 3.821570 Rho 0.1852979E+00 |GRAD(Rho)| 0.8692259E-15 GRAD(Rho)x 0.6220610E-15 GRAD(Rho)y -0.5577898E-15 GRAD(Rho)z -0.2397171E-15 Laplacian 0.6981579E+00 (-1/4)Del**2(Rho)) -0.1745395E+00 Diamond 0.1830863E+01 Metallicity 0.5944431E+01 Ellipticity 0.2706434E-02 Gb(Abramov) 0.2892826E+00 Vb(Abramov) -0.4040258E+00 Hb(Abramov) -0.1147431E+00 Ex_ueg -0.7802115E-01 Ec_ueg -0.1074022E-01 Delta_ex -0.7908496E-01 Delta_ec 0.1687582E-01 Delta_et -0.2307125E+00 Pxc 0.7264391E+01 Qxc -0.4686290E+01 3,-1 65 3 -1 -2.755278 -0.749398 2.434493 Rho 0.1349366E+00 |GRAD(Rho)| 0.1507998E-15 GRAD(Rho)x 0.7750690E-16 GRAD(Rho)y 0.1282069E-15 GRAD(Rho)z 0.1721171E-16 Laplacian 0.5427436E+00 (-1/4)Del**2(Rho)) -0.1356859E+00 Diamond 0.9910062E+00 Metallicity 0.4507144E+01 Ellipticity 0.2005087E-01 Gb(Abramov) 0.1923832E+00 Vb(Abramov) -0.2490806E+00 Hb(Abramov) -0.5669734E-01 Ex_ueg -0.5111614E-01 Ec_ueg -0.7486329E-02 Delta_ex -0.5705664E-01 Delta_ec 0.1459148E-01 Delta_et -0.1921299E+00 Pxc 0.6827932E+01 Qxc -0.3910270E+01 3,-1 66 3 -1 0.953585 -1.660116 1.602148 Rho 0.2501939E-01 |GRAD(Rho)| 0.1134094E-12 GRAD(Rho)x -0.4082597E-13 GRAD(Rho)y -0.1053210E-12 GRAD(Rho)z 0.1012046E-13 Laplacian 0.8832101E-01 (-1/4)Del**2(Rho)) -0.2208025E-01 Diamond 0.1549716E-01 Metallicity 0.1669848E+01 Ellipticity 0.1133265E+00 Gb(Abramov) 0.2086528E-01 Vb(Abramov) -0.1965031E-01 Hb(Abramov) 0.1214973E-02 Ex_ueg -0.5404481E-02 Ec_ueg -0.1089690E-02 Delta_ex -0.5920974E-02 Delta_ec 0.2260662E-02 Delta_et -0.1978278E-01 Pxc 0.4959648E+01 Qxc -0.2619133E+01 3,-1 67 3 -1 -1.502807 -2.658004 -1.626160 Rho 0.5504327E-02 |GRAD(Rho)| 0.1516699E-16 GRAD(Rho)x -0.1341845E-16 GRAD(Rho)y 0.6909019E-17 GRAD(Rho)z 0.1499429E-17 Laplacian 0.2126723E-01 (-1/4)Del**2(Rho)) -0.5316807E-02 Diamond 0.6404518E-03 Metallicity 0.5560015E+00 Ellipticity 0.6464944E+01 Gb(Abramov) 0.4037230E-02 Vb(Abramov) -0.2757653E-02 Hb(Abramov) 0.1279577E-02 Ex_ueg -0.7177789E-03 Ec_ueg -0.1686802E-03 Delta_ex -0.1139471E-02 Delta_ec 0.7806592E-03 Delta_et -0.4319307E-02 Pxc 0.4255265E+01 Qxc -0.1459627E+01 3,-1 68 3 +1 -1.506198 -2.662969 -1.577057 Rho 0.5503648E-02 |GRAD(Rho)| 0.1861924E-16 GRAD(Rho)x -0.1604653E-16 GRAD(Rho)y 0.5326095E-17 GRAD(Rho)z 0.7798579E-17 Laplacian 0.2176995E-01 (-1/4)Del**2(Rho)) -0.5442487E-02 Diamond 0.6166588E-03 Metallicity 0.5430504E+00 Ellipticity -0.7868733E+01 Gb(Abramov) 0.4120916E-02 Vb(Abramov) -0.2799344E-02 Hb(Abramov) 0.1321572E-02 Ex_ueg -0.7176608E-03 Ec_ueg -0.1686508E-03 Delta_ex -0.1134660E-02 Delta_ec 0.7424797E-03 Delta_et -0.4127320E-02 Pxc 0.4255306E+01 Qxc -0.1528203E+01 3,+1 69 3 +1 -0.899968 -1.522884 0.191461 Rho 0.8795969E-02 |GRAD(Rho)| 0.7419165E-17 GRAD(Rho)x 0.5350737E-17 GRAD(Rho)y 0.4220659E-17 GRAD(Rho)z 0.2932517E-17 Laplacian 0.3574241E-01 (-1/4)Del**2(Rho)) -0.8935602E-02 Diamond 0.9802990E-03 Metallicity 0.7226070E+00 Ellipticity -0.1402565E+01 Gb(Abramov) 0.7033223E-02 Vb(Abramov) -0.5130843E-02 Hb(Abramov) 0.1902379E-02 Ex_ueg -0.1341004E-02 Ec_ueg -0.3137568E-03 Delta_ex -0.1639558E-02 Delta_ec 0.4982337E-03 Delta_et -0.3428985E-02 Pxc 0.4274023E+01 Qxc -0.3290741E+01 3,+1 70 3 +1 -1.282848 2.075780 1.730841 Rho 0.4463775E-02 |GRAD(Rho)| 0.4983241E-17 GRAD(Rho)x 0.1434371E-17 GRAD(Rho)y -0.2900421E-17 GRAD(Rho)z 0.3789833E-17 Laplacian 0.1732868E-01 (-1/4)Del**2(Rho)) -0.4332171E-02 Diamond 0.3592294E-03 Metallicity 0.4812285E+00 Ellipticity -0.4141135E+01 Gb(Abramov) 0.3235575E-02 Vb(Abramov) -0.2138978E-02 Hb(Abramov) 0.1096596E-02 Ex_ueg -0.5428186E-03 Ec_ueg -0.1239103E-03 Delta_ex -0.8563174E-03 Delta_ec 0.5693135E-03 Delta_et -0.2978506E-02 Pxc 0.4380738E+01 Qxc -0.1504123E+01 3,+1 71 3 +3 -0.922636 1.572889 1.326181 Rho 0.3540323E-02 |GRAD(Rho)| 0.6521767E-18 GRAD(Rho)x 0.4446295E-18 GRAD(Rho)y 0.2520605E-18 GRAD(Rho)z 0.4050982E-18 Laplacian 0.1422869E-01 (-1/4)Del**2(Rho)) -0.3557171E-02 Diamond 0.8622323E-04 Metallicity 0.3982781E+00 Ellipticity -0.1566245E+00 Gb(Abramov) 0.2607572E-02 Vb(Abramov) -0.1657972E-02 Hb(Abramov) 0.9495999E-03 Ex_ueg -0.3985127E-03 Ec_ueg -0.8464810E-04 Delta_ex -0.4827834E-03 Delta_ec 0.1262596E-03 Delta_et -0.7511676E-03 Pxc 0.4707875E+01 Qxc -0.3823735E+01 3,+3 72 3 +1 -0.492536 -0.846400 1.475893 Rho 0.5401772E-02 |GRAD(Rho)| 0.6044509E-17 GRAD(Rho)x 0.3689913E-17 GRAD(Rho)y -0.2088967E-17 GRAD(Rho)z 0.4307766E-17 Laplacian 0.2016047E-01 (-1/4)Del**2(Rho)) -0.5040118E-02 Diamond 0.3051509E-03 Metallicity 0.5684247E+00 Ellipticity -0.1380189E+01 Gb(Abramov) 0.3837566E-02 Vb(Abramov) -0.2635015E-02 Hb(Abramov) 0.1202551E-02 Ex_ueg -0.7000033E-03 Ec_ueg -0.1642435E-03 Delta_ex -0.8361725E-03 Delta_ec 0.3110840E-03 Delta_et -0.1858765E-02 Pxc 0.4261986E+01 Qxc -0.2687932E+01 3,+1 73 3 +3 -0.891507 -1.525233 1.314254 Rho 0.3841012E-02 |GRAD(Rho)| 0.2881446E-17 GRAD(Rho)x -0.1400908E-17 GRAD(Rho)y -0.8491223E-18 GRAD(Rho)z -0.2370481E-17 Laplacian 0.1561970E-01 (-1/4)Del**2(Rho)) -0.3904926E-02 Diamond 0.1000817E-03 Metallicity 0.4156074E+00 Ellipticity -0.2009397E+00 Gb(Abramov) 0.2873770E-02 Vb(Abramov) -0.1842614E-02 Hb(Abramov) 0.1031156E-02 Ex_ueg -0.4442690E-03 Ec_ueg -0.9738295E-04 Delta_ex -0.5335655E-03 Delta_ec 0.1253692E-03 Delta_et -0.7801289E-03 Pxc 0.4562082E+01 Qxc -0.4255954E+01 3,+3 74 3 +1 1.910009 -1.749501 1.009338 Rho 0.2037409E-01 |GRAD(Rho)| 0.2522279E-16 GRAD(Rho)x -0.1583436E-16 GRAD(Rho)y 0.6437547E-17 GRAD(Rho)z -0.1854778E-16 Laplacian 0.7480330E-01 (-1/4)Del**2(Rho)) -0.1870082E-01 Diamond 0.7522446E-02 Metallicity 0.1400091E+01 Ellipticity -0.3727630E+01 Gb(Abramov) 0.1683102E-01 Vb(Abramov) -0.1496123E-01 Hb(Abramov) 0.1869799E-02 Ex_ueg -0.4109820E-02 Ec_ueg -0.8587531E-03 Delta_ex -0.4426378E-02 Delta_ec 0.1304694E-02 Delta_et -0.1093354E-01 Pxc 0.4785799E+01 Qxc -0.3392656E+01 3,+1 75 3 +1 0.012840 -0.001942 3.135252 Rho 0.1249754E-01 |GRAD(Rho)| 0.1118017E-13 GRAD(Rho)x 0.4026851E-15 GRAD(Rho)y 0.1115586E-13 GRAD(Rho)z 0.6170066E-15 Laplacian 0.6110164E-01 (-1/4)Del**2(Rho)) -0.1527541E-01 Diamond 0.2482905E-02 Metallicity 0.7590454E+00 Ellipticity -0.1249286E+01 Gb(Abramov) 0.1211606E-01 Vb(Abramov) -0.8956714E-02 Hb(Abramov) 0.3159349E-02 Ex_ueg -0.2141991E-02 Ec_ueg -0.4825856E-03 Delta_ex -0.3006871E-02 Delta_ec 0.7414045E-03 Delta_et -0.5653548E-02 Pxc 0.4438573E+01 Qxc -0.4055641E+01 3,+1 76 3 +1 1.792104 -0.003499 0.093680 Rho 0.7861597E-02 |GRAD(Rho)| 0.1289235E-16 GRAD(Rho)x 0.1262036E-16 GRAD(Rho)y 0.5866427E-18 GRAD(Rho)z 0.2568090E-17 Laplacian 0.2985437E-01 (-1/4)Del**2(Rho)) -0.7463593E-02 Diamond 0.7036266E-03 Metallicity 0.7174470E+00 Ellipticity -0.1432389E+01 Gb(Abramov) 0.5868184E-02 Vb(Abramov) -0.4272775E-02 Hb(Abramov) 0.1595409E-02 Ex_ueg -0.1154515E-02 Ec_ueg -0.2720640E-03 Delta_ex -0.1331635E-02 Delta_ec 0.4170495E-03 Delta_et -0.2787824E-02 Pxc 0.4243540E+01 Qxc -0.3192991E+01 3,+1 77 3 -1 -1.904578 0.006207 1.606416 Rho 0.2683586E-01 |GRAD(Rho)| 0.1539196E-14 GRAD(Rho)x -0.6202991E-15 GRAD(Rho)y 0.7612801E-15 GRAD(Rho)z -0.1185245E-14 Laplacian 0.1055113E+00 (-1/4)Del**2(Rho)) -0.2637782E-01 Diamond 0.2374235E-01 Metallicity 0.1570990E+01 Ellipticity 0.5108723E-01 Gb(Abramov) 0.2449176E-01 Vb(Abramov) -0.2260570E-01 Hb(Abramov) 0.1886060E-02 Ex_ueg -0.5933883E-02 Ec_ueg -0.1181584E-02 Delta_ex -0.7530608E-02 Delta_ec 0.3295015E-02 Delta_et -0.2932058E-01 Pxc 0.5021975E+01 Qxc -0.2285455E+01 3,-1 78 3 -1 -1.421080 0.696507 3.036619 Rho 0.1152860E+00 |GRAD(Rho)| 0.2635922E-12 GRAD(Rho)x -0.2113106E-12 GRAD(Rho)y -0.1567506E-12 GRAD(Rho)z -0.1606141E-13 Laplacian 0.4960905E+00 (-1/4)Del**2(Rho)) -0.1240226E+00 Diamond 0.7588286E+00 Metallicity 0.3793263E+01 Ellipticity 0.1253088E-01 Gb(Abramov) 0.1610902E+00 Vb(Abramov) -0.1981577E+00 Hb(Abramov) -0.3706753E-01 Ex_ueg -0.4144005E-01 Ec_ueg -0.6259982E-02 Delta_ex -0.5036402E-01 Delta_ec 0.1406601E-01 Delta_et -0.1805332E+00 Pxc 0.6619836E+01 Qxc -0.3580549E+01 3,-1 79 3 +1 1.709935 2.954509 1.285586 Rho 0.1149584E-01 |GRAD(Rho)| 0.7769983E-17 GRAD(Rho)x 0.6690666E-17 GRAD(Rho)y -0.3948977E-17 GRAD(Rho)z -0.1148972E-18 Laplacian 0.5216429E-01 (-1/4)Del**2(Rho)) -0.1304107E-01 Diamond 0.1743444E-02 Metallicity 0.7735256E+00 Ellipticity -0.1229059E+01 Gb(Abramov) 0.1037532E-01 Vb(Abramov) -0.7709559E-02 Hb(Abramov) 0.2665757E-02 Ex_ueg -0.1916194E-02 Ec_ueg -0.4363457E-03 Delta_ex -0.2465721E-02 Delta_ec 0.5528886E-03 Delta_et -0.4199936E-02 Pxc 0.4391459E+01 Qxc -0.4459707E+01 3,+1 80 3 +1 0.960880 -0.006718 1.491106 Rho 0.4991562E-02 |GRAD(Rho)| 0.3448911E-14 GRAD(Rho)x -0.6718074E-15 GRAD(Rho)y -0.6557932E-15 GRAD(Rho)z -0.3318674E-14 Laplacian 0.1852065E-01 (-1/4)Del**2(Rho)) -0.4630161E-02 Diamond 0.2567129E-03 Metallicity 0.5424393E+00 Ellipticity -0.1376891E+01 Gb(Abramov) 0.3505371E-02 Vb(Abramov) -0.2380581E-02 Hb(Abramov) 0.1124790E-02 Ex_ueg -0.6300384E-03 Ec_ueg -0.1465497E-03 Delta_ex -0.7583979E-03 Delta_ec 0.2937321E-03 Delta_et -0.1711457E-02 Pxc 0.4299145E+01 Qxc -0.2581937E+01 3,+1 81 3 -1 -0.793566 -0.002210 -0.020661 Rho 0.1597693E+00 |GRAD(Rho)| 0.3518035E-15 GRAD(Rho)x -0.3504141E-15 GRAD(Rho)y 0.8063754E-18 GRAD(Rho)z 0.3122502E-16 Laplacian 0.3681077E+00 (-1/4)Del**2(Rho)) -0.9202693E-01 Diamond 0.8245816E+00 Metallicity 0.8806306E+01 Ellipticity 0.4041511E-02 Gb(Abramov) 0.1964208E+00 Vb(Abramov) -0.3008147E+00 Hb(Abramov) -0.1043939E+00 Ex_ueg -0.6402892E-01 Ec_ueg -0.9071794E-02 Delta_ex -0.4033390E-01 Delta_ec 0.9518259E-02 Delta_et -0.1286005E+00 Pxc 0.7058021E+01 Qxc -0.4237530E+01 3,-1 82 3 +3 0.019650 0.004035 1.757937 Rho 0.3201538E-02 |GRAD(Rho)| 0.6191128E-15 GRAD(Rho)x -0.2487587E-15 GRAD(Rho)y 0.4628232E-15 GRAD(Rho)z 0.3274361E-15 Laplacian 0.1195576E-01 (-1/4)Del**2(Rho)) -0.2988939E-02 Diamond 0.5431704E-04 Metallicity 0.4008365E+00 Ellipticity -0.1293912E+00 Gb(Abramov) 0.2192305E-02 Vb(Abramov) -0.1395672E-02 Hb(Abramov) 0.7966337E-03 Ex_ueg -0.3484951E-03 Ec_ueg -0.7035812E-04 Delta_ex -0.3805922E-03 Delta_ec 0.7930148E-04 Delta_et -0.4997805E-03 Pxc 0.4953161E+01 Qxc -0.4799308E+01 3,+3 83 3 +1 0.677805 -2.275221 1.348485 Rho 0.2064532E-01 |GRAD(Rho)| 0.5692018E-15 GRAD(Rho)x -0.3849030E-15 GRAD(Rho)y 0.4193127E-15 GRAD(Rho)z -0.4145109E-17 Laplacian 0.7562873E-01 (-1/4)Del**2(Rho)) -0.1890718E-01 Diamond 0.7863957E-02 Metallicity 0.1415671E+01 Ellipticity -0.4386109E+01 Gb(Abramov) 0.1706585E-01 Vb(Abramov) -0.1522451E-01 Hb(Abramov) 0.1841334E-02 Ex_ueg -0.4182930E-02 Ec_ueg -0.8720667E-03 Delta_ex -0.4507470E-02 Delta_ec 0.1348902E-02 Delta_et -0.1133172E-01 Pxc 0.4796571E+01 Qxc -0.3341585E+01 3,+1 84 3 -1 -0.016452 -3.555758 -0.967566 Rho 0.2151666E+00 |GRAD(Rho)| 0.6837341E-15 GRAD(Rho)x 0.7620586E-16 GRAD(Rho)y 0.1128519E-15 GRAD(Rho)z 0.6700369E-15 Laplacian 0.8419146E+00 (-1/4)Del**2(Rho)) -0.2104787E+00 Diamond 0.2590104E+01 Metallicity 0.6323681E+01 Ellipticity 0.4347981E-02 Gb(Abramov) 0.3621524E+00 Vb(Abramov) -0.5138261E+00 Hb(Abramov) -0.1516737E+00 Ex_ueg -0.9522513E-01 Ec_ueg -0.1273937E-01 Delta_ex -0.9874895E-01 Delta_ec 0.1896639E-01 Delta_et -0.2604583E+00 Pxc 0.7474869E+01 Qxc -0.5206522E+01 3,-1 85 3 -1 -0.843937 -3.232491 0.184382 Rho 0.1411605E+00 |GRAD(Rho)| 0.1549316E-15 GRAD(Rho)x -0.1159283E-15 GRAD(Rho)y -0.8418152E-16 GRAD(Rho)z 0.5897382E-16 Laplacian 0.5867661E+00 (-1/4)Del**2(Rho)) -0.1466915E+00 Diamond 0.1104030E+01 Metallicity 0.4494386E+01 Ellipticity 0.1219254E-01 Gb(Abramov) 0.2076757E+00 Vb(Abramov) -0.2686600E+00 Hb(Abramov) -0.6098422E-01 Ex_ueg -0.5428371E-01 Ec_ueg -0.7880085E-02 Delta_ex -0.6206807E-01 Delta_ec 0.1508515E-01 Delta_et -0.1990049E+00 Pxc 0.6888721E+01 Qxc -0.4114514E+01 3,-1 86 3 -1 0.137510 1.584829 3.045412 Rho 0.1461038E+00 |GRAD(Rho)| 0.5125460E-12 GRAD(Rho)x 0.4716685E-12 GRAD(Rho)y 0.2004188E-12 GRAD(Rho)z -0.8028714E-14 Laplacian 0.6045731E+00 (-1/4)Del**2(Rho)) -0.1511433E+00 Diamond 0.1180136E+01 Metallicity 0.4619554E+01 Ellipticity 0.1401314E-01 Gb(Abramov) 0.2171313E+00 Vb(Abramov) -0.2831193E+00 Hb(Abramov) -0.6598800E-01 Ex_ueg -0.5683296E-01 Ec_ueg -0.8194568E-02 Delta_ex -0.6443624E-01 Delta_ec 0.1531240E-01 Delta_et -0.2027988E+00 Pxc 0.6935444E+01 Qxc -0.4208110E+01 3,-1 87 3 -1 -0.106939 -4.582822 0.109313 Rho 0.2076421E+00 |GRAD(Rho)| 0.1651609E-14 GRAD(Rho)x -0.3091602E-15 GRAD(Rho)y -0.1609769E-14 GRAD(Rho)z 0.2021766E-15 Laplacian 0.7729125E+00 (-1/4)Del**2(Rho)) -0.1932281E+00 Diamond 0.2309344E+01 Metallicity 0.6491452E+01 Ellipticity 0.1526921E-01 Gb(Abramov) 0.3378739E+00 Vb(Abramov) -0.4825198E+00 Hb(Abramov) -0.1446458E+00 Ex_ueg -0.9081110E-01 Ec_ueg -0.1223106E-01 Delta_ex -0.9002852E-01 Delta_ec 0.1794682E-01 Delta_et -0.2472474E+00 Pxc 0.7424633E+01 Qxc -0.5016407E+01 3,-1 88 3 -1 0.270816 -3.532272 1.093444 Rho 0.8464279E-01 |GRAD(Rho)| 0.5527083E-13 GRAD(Rho)x -0.2282387E-13 GRAD(Rho)y -0.2615888E-15 GRAD(Rho)z -0.5033753E-13 Laplacian 0.3388182E+00 (-1/4)Del**2(Rho)) -0.8470455E-01 Diamond 0.3392795E+00 Metallicity 0.3318662E+01 Ellipticity 0.2942708E-01 Gb(Abramov) 0.1033207E+00 Vb(Abramov) -0.1219368E+00 Hb(Abramov) -0.1861611E-01 Ex_ueg -0.2744764E-01 Ec_ueg -0.4404575E-02 Delta_ex -0.3166355E-01 Delta_ec 0.9593511E-02 Delta_et -0.1149207E+00 Pxc 0.6231620E+01 Qxc -0.3300518E+01 3,-1 89 3 +1 1.704340 -2.955180 1.270667 Rho 0.1146942E-01 |GRAD(Rho)| 0.1714278E-16 GRAD(Rho)x 0.5598616E-17 GRAD(Rho)y 0.4241600E-17 GRAD(Rho)z 0.1563775E-16 Laplacian 0.5205331E-01 (-1/4)Del**2(Rho)) -0.1301333E-01 Diamond 0.1717634E-02 Metallicity 0.7722070E+00 Ellipticity -0.1219407E+01 Gb(Abramov) 0.1035038E-01 Vb(Abramov) -0.7687437E-02 Hb(Abramov) 0.2662945E-02 Ex_ueg -0.1910323E-02 Ec_ueg -0.4351312E-03 Delta_ex -0.2453849E-02 Delta_ec 0.5426136E-03 Delta_et -0.4128481E-02 Pxc 0.4390224E+01 Qxc -0.4522278E+01 3,+1 90 3 -1 0.431970 2.494723 0.137261 Rho 0.4768686E-01 |GRAD(Rho)| 0.4481349E-16 GRAD(Rho)x -0.1834462E-17 GRAD(Rho)y 0.4426001E-16 GRAD(Rho)z -0.6777534E-17 Laplacian 0.1760947E+00 (-1/4)Del**2(Rho)) -0.4402367E-01 Diamond 0.8262339E-01 Metallicity 0.2453945E+01 Ellipticity 0.3924251E-01 Gb(Abramov) 0.4735439E-01 Vb(Abramov) -0.5068511E-01 Hb(Abramov) -0.3330722E-02 Ex_ueg -0.1277174E-01 Ec_ueg -0.2287417E-02 Delta_ex -0.1427380E-01 Delta_ec 0.5160511E-02 Delta_et -0.5372360E-01 Pxc 0.5583477E+01 Qxc -0.2765967E+01 3,-1 91 3 -1 1.102419 -3.641316 -0.038523 Rho 0.1522998E+00 |GRAD(Rho)| 0.6056427E-11 GRAD(Rho)x -0.3544319E-11 GRAD(Rho)y -0.4901711E-11 GRAD(Rho)z 0.3022113E-12 Laplacian 0.5828941E+00 (-1/4)Del**2(Rho)) -0.1457235E+00 Diamond 0.1207634E+01 Metallicity 0.5134785E+01 Ellipticity 0.3600349E-01 Gb(Abramov) 0.2218589E+00 Vb(Abramov) -0.2979942E+00 Hb(Abramov) -0.7613532E-01 Ex_ueg -0.6006905E-01 Ec_ueg -0.8590895E-02 Delta_ex -0.6287718E-01 Delta_ec 0.1481386E-01 Delta_et -0.1978053E+00 Pxc 0.6992176E+01 Qxc -0.4244482E+01 3,-1 92 3 -1 0.371892 0.678088 -0.029577 Rho 0.1599776E+00 |GRAD(Rho)| 0.9139869E-16 GRAD(Rho)x -0.5898060E-16 GRAD(Rho)y 0.3122502E-16 GRAD(Rho)z 0.6245005E-16 Laplacian 0.3635822E+00 (-1/4)Del**2(Rho)) -0.9089554E-01 Diamond 0.8178759E+00 Metallicity 0.8935306E+01 Ellipticity 0.1727820E-02 Gb(Abramov) 0.1959603E+00 Vb(Abramov) -0.3010250E+00 Hb(Abramov) -0.1050647E+00 Ex_ueg -0.6414027E-01 Ec_ueg -0.9085256E-02 Delta_ex -0.3987053E-01 Delta_ec 0.9433379E-02 Delta_et -0.1275625E+00 Pxc 0.7059820E+01 Qxc -0.4226537E+01 3,-1 93 3 -1 0.950746 1.654724 1.603701 Rho 0.2548653E-01 |GRAD(Rho)| 0.2347837E-16 GRAD(Rho)x -0.1960617E-18 GRAD(Rho)y -0.5344434E-17 GRAD(Rho)z 0.2286115E-16 Laplacian 0.8977879E-01 (-1/4)Del**2(Rho)) -0.2244470E-01 Diamond 0.1630945E-01 Metallicity 0.1694171E+01 Ellipticity 0.9552306E-01 Gb(Abramov) 0.2130066E-01 Vb(Abramov) -0.2015662E-01 Hb(Abramov) 0.1144039E-02 Ex_ueg -0.5539442E-02 Ec_ueg -0.1113241E-02 Delta_ex -0.6062626E-02 Delta_ec 0.2326974E-02 Delta_et -0.2046225E-01 Pxc 0.4975958E+01 Qxc -0.2605369E+01 3,-1 94 3 +1 0.649729 2.320086 1.296292 Rho 0.2067157E-01 |GRAD(Rho)| 0.1920073E-16 GRAD(Rho)x 0.1752471E-17 GRAD(Rho)y -0.1175279E-16 GRAD(Rho)z -0.1508206E-16 Laplacian 0.7787612E-01 (-1/4)Del**2(Rho)) -0.1946903E-01 Diamond 0.8609386E-02 Metallicity 0.1377731E+01 Ellipticity -0.6008517E+01 Gb(Abramov) 0.1744987E-01 Vb(Abramov) -0.1543071E-01 Hb(Abramov) 0.2019161E-02 Ex_ueg -0.4190022E-02 Ec_ueg -0.8733562E-03 Delta_ex -0.4712591E-02 Delta_ec 0.1513313E-02 Delta_et -0.1267524E-01 Pxc 0.4797609E+01 Qxc -0.3114090E+01 3,+1 95 3 -1 1.312987 0.892548 3.044798 Rho 0.1309982E+00 |GRAD(Rho)| 0.4039585E-15 GRAD(Rho)x 0.6935506E-17 GRAD(Rho)y -0.4033503E-15 GRAD(Rho)z 0.2104538E-16 Laplacian 0.5407772E+00 (-1/4)Del**2(Rho)) -0.1351943E+00 Diamond 0.9297308E+00 Metallicity 0.4305634E+01 Ellipticity 0.1430150E-01 Gb(Abramov) 0.1871457E+00 Vb(Abramov) -0.2390971E+00 Hb(Abramov) -0.5195142E-01 Ex_ueg -0.4913665E-01 Ec_ueg -0.7238462E-02 Delta_ex -0.5617058E-01 Delta_ec 0.1414752E-01 Delta_et -0.1844713E+00 Pxc 0.6788272E+01 Qxc -0.3970348E+01 3,-1 96 3 -1 1.932448 1.630503 0.088002 Rho 0.4144352E-01 |GRAD(Rho)| 0.1004612E-15 GRAD(Rho)x 0.9475334E-16 GRAD(Rho)y 0.1318746E-16 GRAD(Rho)z -0.3066503E-16 Laplacian 0.1666923E+00 (-1/4)Del**2(Rho)) -0.4167307E-01 Diamond 0.7048139E-01 Metallicity 0.2051754E+01 Ellipticity 0.1479495E-01 Gb(Abramov) 0.4203253E-01 Vb(Abramov) -0.4239199E-01 Hb(Abramov) -0.3594580E-03 Ex_ueg -0.1059239E-01 Ec_ueg -0.1947670E-02 Delta_ex -0.1336916E-01 Delta_ec 0.5468725E-02 Delta_et -0.5493932E-01 Pxc 0.5438491E+01 Qxc -0.2444657E+01 3,-1 97 3 +1 2.470760 -0.000466 1.681017 Rho 0.3737523E-02 |GRAD(Rho)| 0.3786937E-17 GRAD(Rho)x -0.2656530E-17 GRAD(Rho)y -0.4331551E-19 GRAD(Rho)z 0.2698493E-17 Laplacian 0.1453253E-01 (-1/4)Del**2(Rho)) -0.3633134E-02 Diamond 0.2276914E-03 Metallicity 0.4268201E+00 Ellipticity -0.2341047E+01 Gb(Abramov) 0.2680538E-02 Vb(Abramov) -0.1727943E-02 Hb(Abramov) 0.9525955E-03 Ex_ueg -0.4283810E-03 Ec_ueg -0.9299450E-04 Delta_ex -0.6818021E-03 Delta_ec 0.4537897E-03 Delta_et -0.2259206E-02 Pxc 0.4606520E+01 Qxc -0.1502463E+01 3,+1 98 3 +1 1.923248 1.743919 1.006379 Rho 0.2001023E-01 |GRAD(Rho)| 0.1832096E-16 GRAD(Rho)x 0.1556477E-16 GRAD(Rho)y -0.9025889E-17 GRAD(Rho)z -0.3453809E-17 Laplacian 0.7298883E-01 (-1/4)Del**2(Rho)) -0.1824721E-01 Diamond 0.6982482E-02 Metallicity 0.1392441E+01 Ellipticity -0.3294542E+01 Gb(Abramov) 0.1639950E-01 Vb(Abramov) -0.1455179E-01 Hb(Abramov) 0.1847710E-02 Ex_ueg -0.4012247E-02 Ec_ueg -0.8409270E-03 Delta_ex -0.4272637E-02 Delta_ec 0.1226577E-02 Delta_et -0.1024875E-01 Pxc 0.4771220E+01 Qxc -0.3483383E+01 3,+1 99 3 -1 1.981419 1.996801 2.472711 Rho 0.1758908E+00 |GRAD(Rho)| 0.4828777E-15 GRAD(Rho)x 0.4278262E-15 GRAD(Rho)y 0.5868922E-16 GRAD(Rho)z -0.2160815E-15 Laplacian 0.6835859E+00 (-1/4)Del**2(Rho)) -0.1708965E+00 Diamond 0.1666950E+01 Metallicity 0.5566195E+01 Ellipticity 0.2683441E-01 Gb(Abramov) 0.2724715E+00 Vb(Abramov) -0.3740465E+00 Hb(Abramov) -0.1015750E+00 Ex_ueg -0.7278509E-01 Ec_ueg -0.1012101E-01 Delta_ex -0.7628959E-01 Delta_ec 0.1650743E-01 Delta_et -0.2237287E+00 Pxc 0.7191481E+01 Qxc -0.4621531E+01 3,-1 100 3 -1 1.301406 2.238140 3.826974 Rho 0.2109171E+00 |GRAD(Rho)| 0.2891332E-15 GRAD(Rho)x -0.1322727E-16 GRAD(Rho)y -0.9061220E-16 GRAD(Rho)z -0.2742489E-15 Laplacian 0.7620310E+00 (-1/4)Del**2(Rho)) -0.1905078E+00 Diamond 0.2328374E+01 Metallicity 0.6758135E+01 Ellipticity 0.3293782E-02 Gb(Abramov) 0.3415847E+00 Vb(Abramov) -0.4926616E+00 Hb(Abramov) -0.1510769E+00 Ex_ueg -0.9272584E-01 Ec_ueg -0.1245191E-01 Delta_ex -0.8917074E-01 Delta_ec 0.1771099E-01 Delta_et -0.2446193E+00 Pxc 0.7446716E+01 Qxc -0.5034768E+01 3,-1 101 3 +3 1.532436 2.635669 1.113891 Rho 0.1082926E-01 |GRAD(Rho)| 0.1043679E-16 GRAD(Rho)x 0.7632550E-18 GRAD(Rho)y 0.7254210E-17 GRAD(Rho)z 0.7464608E-17 Laplacian 0.4814306E-01 (-1/4)Del**2(Rho)) -0.1203576E-01 Diamond 0.8897665E-03 Metallicity 0.7587124E+00 Ellipticity -0.4167988E+00 Gb(Abramov) 0.9545791E-02 Vb(Abramov) -0.7055816E-02 Hb(Abramov) 0.2489974E-02 Ex_ueg -0.1769497E-02 Ec_ueg -0.4057967E-03 Delta_ex -0.2042962E-02 Delta_ec 0.1597700E-03 Delta_et -0.1544011E-02 Pxc 0.4360551E+01 Qxc -0.1278689E+02 3,+3 102 3 +1 1.672280 -2.343965 0.065827 Rho 0.2574600E-01 |GRAD(Rho)| 0.2342688E-15 GRAD(Rho)x -0.1340206E-15 GRAD(Rho)y -0.1200050E-16 GRAD(Rho)z 0.1917716E-15 Laplacian 0.9695951E-01 (-1/4)Del**2(Rho)) -0.2423988E-01 Diamond 0.1106163E-01 Metallicity 0.1595410E+01 Ellipticity -0.2277734E+01 Gb(Abramov) 0.2260534E-01 Vb(Abramov) -0.2097080E-01 Hb(Abramov) 0.1634537E-02 Ex_ueg -0.5614761E-02 Ec_ueg -0.1126347E-02 Delta_ex -0.5854102E-02 Delta_ec 0.1245674E-02 Delta_et -0.1115923E-01 Pxc 0.4984931E+01 Qxc -0.4699547E+01 3,+1 103 3 +3 1.534481 -2.647756 1.109937 Rho 0.1088602E-01 |GRAD(Rho)| 0.1131600E-15 GRAD(Rho)x -0.3699584E-16 GRAD(Rho)y 0.7887986E-16 GRAD(Rho)z -0.7221128E-16 Laplacian 0.4834460E-01 (-1/4)Del**2(Rho)) -0.1208615E-01 Diamond 0.9064564E-03 Metallicity 0.7621620E+00 Ellipticity -0.4651831E+00 Gb(Abramov) 0.9592701E-02 Vb(Abramov) -0.7099252E-02 Hb(Abramov) 0.2493449E-02 Ex_ueg -0.1781876E-02 Ec_ueg -0.4083913E-03 Delta_ex -0.2056786E-02 Delta_ec 0.1641966E-03 Delta_et -0.1575582E-02 Pxc 0.4363158E+01 Qxc -0.1252637E+02 3,+3 104 3 +1 1.671381 2.337241 0.076387 Rho 0.2556841E-01 |GRAD(Rho)| 0.1410151E-15 GRAD(Rho)x 0.1177313E-15 GRAD(Rho)y -0.7693901E-16 GRAD(Rho)z -0.1024712E-16 Laplacian 0.9614279E-01 (-1/4)Del**2(Rho)) -0.2403570E-01 Diamond 0.1118485E-01 Metallicity 0.1590508E+01 Ellipticity -0.2432239E+01 Gb(Abramov) 0.2239530E-01 Vb(Abramov) -0.2075489E-01 Hb(Abramov) 0.1640403E-02 Ex_ueg -0.5563183E-02 Ec_ueg -0.1117375E-02 Delta_ex -0.5827481E-02 Delta_ec 0.1295599E-02 Delta_et -0.1157194E-01 Pxc 0.4978796E+01 Qxc -0.4497905E+01 3,+1 105 3 -1 1.118784 3.648004 -0.037260 Rho 0.1492880E+00 |GRAD(Rho)| 0.9833982E-14 GRAD(Rho)x -0.9667587E-14 GRAD(Rho)y 0.1750166E-14 GRAD(Rho)z -0.4264924E-15 Laplacian 0.5757446E+00 (-1/4)Del**2(Rho)) -0.1439362E+00 Diamond 0.1163473E+01 Metallicity 0.5028344E+01 Ellipticity 0.3328378E-01 Gb(Abramov) 0.2165842E+00 Vb(Abramov) -0.2892322E+00 Hb(Abramov) -0.7264803E-01 Ex_ueg -0.5849046E-01 Ec_ueg -0.8397954E-02 Delta_ex -0.6179113E-01 Delta_ec 0.1468563E-01 Delta_et -0.1955034E+00 Pxc 0.6964847E+01 Qxc -0.4207591E+01 3,-1 106 3 -1 1.927626 -1.636527 0.083578 Rho 0.4235856E-01 |GRAD(Rho)| 0.7108986E-16 GRAD(Rho)x 0.5321061E-16 GRAD(Rho)y -0.4680725E-16 GRAD(Rho)z -0.5610746E-17 Laplacian 0.1710908E+00 (-1/4)Del**2(Rho)) -0.4277270E-01 Diamond 0.7459207E-01 Metallicity 0.2073107E+01 Ellipticity 0.1424048E-01 Gb(Abramov) 0.4329387E-01 Vb(Abramov) -0.4381503E-01 Hb(Abramov) -0.5211645E-03 Ex_ueg -0.1090536E-01 Ec_ueg -0.1997054E-02 Delta_ex -0.1379903E-01 Delta_ec 0.5619353E-02 Delta_et -0.5679231E-01 Pxc 0.5460722E+01 Qxc -0.2455625E+01 3,-1 107 3 -1 2.526386 -2.838770 -0.088908 Rho 0.1001568E+00 |GRAD(Rho)| 0.2557931E-13 GRAD(Rho)x 0.1328617E-13 GRAD(Rho)y 0.2166720E-13 GRAD(Rho)z -0.2882895E-14 Laplacian 0.4126465E+00 (-1/4)Del**2(Rho)) -0.1031616E+00 Diamond 0.5330152E+00 Metallicity 0.3607193E+01 Ellipticity 0.2138397E-01 Gb(Abramov) 0.1307951E+00 Vb(Abramov) -0.1584285E+00 Hb(Abramov) -0.2763344E-01 Ex_ueg -0.3435257E-01 Ec_ueg -0.5334554E-02 Delta_ex -0.4054952E-01 Delta_ec 0.1207636E-01 Delta_et -0.1507627E+00 Pxc 0.6439633E+01 Qxc -0.3357759E+01 3,-1 108 3 -1 2.920815 -2.009880 1.030392 Rho 0.6809354E-01 |GRAD(Rho)| 0.3120341E-14 GRAD(Rho)x 0.8821645E-15 GRAD(Rho)y 0.4227368E-15 GRAD(Rho)z -0.2963040E-14 Laplacian 0.2865267E+00 (-1/4)Del**2(Rho)) -0.7163166E-01 Diamond 0.2304144E+00 Metallicity 0.2730809E+01 Ellipticity 0.1649985E-01 Gb(Abramov) 0.8035651E-01 Vb(Abramov) -0.8908135E-01 Hb(Abramov) -0.8724845E-02 Ex_ueg -0.2053649E-01 Ec_ueg -0.3437066E-02 Delta_ex -0.2578186E-01 Delta_ec 0.8994966E-02 Delta_et -0.1028846E+00 Pxc 0.5975006E+01 Qxc -0.2866255E+01 3,-1 109 3 -1 2.541218 2.830454 -0.077768 Rho 0.1033903E+00 |GRAD(Rho)| 0.2297446E-15 GRAD(Rho)x 0.2226951E-15 GRAD(Rho)y -0.5635141E-16 GRAD(Rho)z -0.3736686E-17 Laplacian 0.4248666E+00 (-1/4)Del**2(Rho)) -0.1062166E+00 Diamond 0.5702166E+00 Metallicity 0.3693973E+01 Ellipticity 0.2114391E-01 Gb(Abramov) 0.1362047E+00 Vb(Abramov) -0.1661927E+00 Hb(Abramov) -0.2998803E-01 Ex_ueg -0.3583919E-01 Ec_ueg -0.5530879E-02 Delta_ex -0.4205698E-01 Delta_ec 0.1234787E-01 Delta_et -0.1551535E+00 Pxc 0.6479837E+01 Qxc -0.3406012E+01 3,-1 110 3 -1 3.278885 -0.906400 0.041821 Rho 0.1288317E+00 |GRAD(Rho)| 0.1706698E-15 GRAD(Rho)x -0.1522355E-15 GRAD(Rho)y 0.6030875E-16 GRAD(Rho)z 0.4811825E-16 Laplacian 0.5448834E+00 (-1/4)Del**2(Rho)) -0.1362208E+00 Diamond 0.9451143E+00 Metallicity 0.4156053E+01 Ellipticity 0.2559881E-02 Gb(Abramov) 0.1851707E+00 Vb(Abramov) -0.2341206E+00 Hb(Abramov) -0.4894990E-01 Ex_ueg -0.4805615E-01 Ec_ueg -0.7102549E-02 Delta_ex -0.5669823E-01 Delta_ec 0.1489808E-01 Delta_et -0.1948141E+00 Pxc 0.6766042E+01 Qxc -0.3805741E+01 3,-1 111 3 -1 3.283156 0.898506 0.043424 Rho 0.1277202E+00 |GRAD(Rho)| 0.1619366E-15 GRAD(Rho)x -0.5562635E-16 GRAD(Rho)y 0.1309987E-15 GRAD(Rho)z 0.7725618E-16 Laplacian 0.5414218E+00 (-1/4)Del**2(Rho)) -0.1353555E+00 Diamond 0.9296025E+00 Metallicity 0.4122653E+01 Ellipticity 0.2435631E-02 Gb(Abramov) 0.1832409E+00 Vb(Abramov) -0.2311263E+00 Hb(Abramov) -0.4788544E-01 Ex_ueg -0.4750411E-01 Ec_ueg -0.7032938E-02 Delta_ex -0.5622439E-01 Delta_ec 0.1483834E-01 Delta_et -0.1937525E+00 Pxc 0.6754519E+01 Qxc -0.3789128E+01 3,-1 112 3 -1 2.928833 2.002777 1.038274 Rho 0.6651738E-01 |GRAD(Rho)| 0.9402044E-16 GRAD(Rho)x -0.9257647E-17 GRAD(Rho)y 0.2823140E-16 GRAD(Rho)z 0.8920273E-16 Laplacian 0.2798602E+00 (-1/4)Del**2(Rho)) -0.6996505E-01 Diamond 0.2186727E+00 Metallicity 0.2688833E+01 Ellipticity 0.1575970E-01 Gb(Abramov) 0.7799743E-01 Vb(Abramov) -0.8602980E-01 Hb(Abramov) -0.8032377E-02 Ex_ueg -0.1990514E-01 Ec_ueg -0.3346417E-02 Delta_ex -0.2505201E-01 Delta_ec 0.8822278E-02 Delta_et -0.1003336E+00 Pxc 0.5948194E+01 Qxc -0.2839631E+01 3,-1 113 3 -1 3.128676 1.899058 -1.098682 Rho 0.1879234E+00 |GRAD(Rho)| 0.3964564E-15 GRAD(Rho)x 0.5317673E-17 GRAD(Rho)y -0.2509928E-16 GRAD(Rho)z 0.3956254E-15 Laplacian 0.7388822E+00 (-1/4)Del**2(Rho)) -0.1847205E+00 Diamond 0.1956643E+01 Metallicity 0.5750065E+01 Ellipticity 0.2203791E-02 Gb(Abramov) 0.3001729E+00 Vb(Abramov) -0.4156252E+00 Hb(Abramov) -0.1154523E+00 Ex_ueg -0.7949861E-01 Ec_ueg -0.1091394E-01 Delta_ex -0.8389246E-01 Delta_ec 0.1760864E-01 Delta_et -0.2404870E+00 Pxc 0.7284135E+01 Qxc -0.4764278E+01 3,-1 114 3 -1 4.032590 -2.305608 0.044359 Rho 0.1796510E+00 |GRAD(Rho)| 0.4574758E-15 GRAD(Rho)x -0.4511365E-15 GRAD(Rho)y 0.3404395E-16 GRAD(Rho)z -0.6783040E-16 Laplacian 0.6811796E+00 (-1/4)Del**2(Rho)) -0.1702949E+00 Diamond 0.1725570E+01 Metallicity 0.5786297E+01 Ellipticity 0.2028866E-01 Gb(Abramov) 0.2777594E+00 Vb(Abramov) -0.3852239E+00 Hb(Abramov) -0.1074645E+00 Ex_ueg -0.7486711E-01 Ec_ueg -0.1036791E-01 Delta_ex -0.7659720E-01 Delta_ec 0.1666207E-01 Delta_et -0.2272396E+00 Pxc 0.7221040E+01 Qxc -0.4597100E+01 3,-1 115 3 -1 4.043464 2.293431 0.052516 Rho 0.1797091E+00 |GRAD(Rho)| 0.1893597E-14 GRAD(Rho)x -0.6159895E-15 GRAD(Rho)y -0.1789774E-14 GRAD(Rho)z 0.5456247E-16 Laplacian 0.6808141E+00 (-1/4)Del**2(Rho)) -0.1702035E+00 Diamond 0.1725765E+01 Metallicity 0.5792529E+01 Ellipticity 0.1986759E-01 Gb(Abramov) 0.2777872E+00 Vb(Abramov) -0.3853708E+00 Hb(Abramov) -0.1075836E+00 Ex_ueg -0.7489945E-01 Ec_ueg -0.1037174E-01 Delta_ex -0.7656585E-01 Delta_ec 0.1665800E-01 Delta_et -0.2272106E+00 Pxc 0.7221493E+01 Qxc -0.4596341E+01 3,-1 116 3 -1 -2.383891 2.381164 0.134922 Rho 0.1110559E+00 |GRAD(Rho)| 0.7673428E-15 GRAD(Rho)x 0.6297453E-15 GRAD(Rho)y 0.4195727E-15 GRAD(Rho)z 0.1272582E-15 Laplacian 0.4767855E+00 (-1/4)Del**2(Rho)) -0.1191964E+00 Diamond 0.6997607E+00 Metallicity 0.3708452E+01 Ellipticity 0.4453379E-02 Gb(Abramov) 0.1531366E+00 Vb(Abramov) -0.1870768E+00 Hb(Abramov) -0.3394022E-01 Ex_ueg -0.3942519E-01 Ec_ueg -0.5999511E-02 Delta_ex -0.4802057E-01 Delta_ec 0.1370025E-01 Delta_et -0.1746824E+00 Pxc 0.6571400E+01 Qxc -0.3505087E+01 3,-1 117 3 -1 -3.732777 0.784422 -0.082033 Rho 0.1009343E+00 |GRAD(Rho)| 0.6641331E-14 GRAD(Rho)x 0.3041661E-14 GRAD(Rho)y -0.5880035E-14 GRAD(Rho)z -0.5298714E-15 Laplacian 0.4114284E+00 (-1/4)Del**2(Rho)) -0.1028571E+00 Diamond 0.5358001E+00 Metallicity 0.3664802E+01 Ellipticity 0.2532157E-01 Gb(Abramov) 0.1313966E+00 Vb(Abramov) -0.1599360E+00 Hb(Abramov) -0.2853945E-01 Ex_ueg -0.3470859E-01 Ec_ueg -0.5381686E-02 Delta_ex -0.4049134E-01 Delta_ec 0.1200182E-01 Delta_et -0.1500479E+00 Pxc 0.6449390E+01 Qxc -0.3373767E+01 3,-1 118 3 -1 -1.418144 -0.691870 3.022735 Rho 0.1090942E+00 |GRAD(Rho)| 0.5024269E-12 GRAD(Rho)x -0.4552429E-12 GRAD(Rho)y 0.2101513E-12 GRAD(Rho)z -0.3198670E-13 Laplacian 0.4738564E+00 (-1/4)Del**2(Rho)) -0.1184641E+00 Diamond 0.6784820E+00 Metallicity 0.3622172E+01 Ellipticity 0.1298436E-01 Gb(Abramov) 0.1504923E+00 Vb(Abramov) -0.1825205E+00 Hb(Abramov) -0.3202820E-01 Ex_ueg -0.3849939E-01 Ec_ueg -0.5879164E-02 Delta_ex -0.4749427E-01 Delta_ec 0.1360991E-01 Delta_et -0.1728473E+00 Pxc 0.6548447E+01 Qxc -0.3489683E+01 3,-1 119 3 -1 -0.829416 3.279626 0.150644 Rho 0.1509560E+00 |GRAD(Rho)| 0.1530531E-13 GRAD(Rho)x 0.1344207E-13 GRAD(Rho)y 0.6846018E-14 GRAD(Rho)z -0.2587530E-14 Laplacian 0.6214159E+00 (-1/4)Del**2(Rho)) -0.1553540E+00 Diamond 0.1264474E+01 Metallicity 0.4745856E+01 Ellipticity 0.3974605E-02 Gb(Abramov) 0.2264506E+00 Vb(Abramov) -0.2975472E+00 Hb(Abramov) -0.7109662E-01 Ex_ueg -0.5936340E-01 Ec_ueg -0.8504738E-02 Delta_ex -0.6679439E-01 Delta_ec 0.1566302E-01 Delta_et -0.2085058E+00 Pxc 0.6980039E+01 Qxc -0.4264465E+01 3,-1 120 3 -1 0.274833 3.542591 1.083025 Rho 0.8096874E-01 |GRAD(Rho)| 0.4207668E-12 GRAD(Rho)x -0.1185719E-12 GRAD(Rho)y 0.1746768E-12 GRAD(Rho)z -0.3639690E-12 Laplacian 0.3225472E+00 (-1/4)Del**2(Rho)) -0.8063681E-01 Diamond 0.3060763E+00 Metallicity 0.3237543E+01 Ellipticity 0.2648544E-01 Gb(Abramov) 0.9726872E-01 Vb(Abramov) -0.1139006E+00 Hb(Abramov) -0.1663191E-01 Ex_ueg -0.2587070E-01 Ec_ueg -0.4187445E-02 Delta_ex -0.2983901E-01 Delta_ec 0.9217857E-02 Delta_et -0.1093602E+00 Pxc 0.6178159E+01 Qxc -0.3237087E+01 3,-1 121 3 -1 -0.069616 4.616013 0.102072 Rho 0.2073894E+00 |GRAD(Rho)| 0.4071664E-12 GRAD(Rho)x 0.7350799E-13 GRAD(Rho)y -0.3966729E-12 GRAD(Rho)z -0.5506056E-13 Laplacian 0.7674188E+00 (-1/4)Del**2(Rho)) -0.1918547E+00 Diamond 0.2292265E+01 Metallicity 0.6524666E+01 Ellipticity 0.1309740E-01 Gb(Abramov) 0.3365344E+00 Vb(Abramov) -0.4812141E+00 Hb(Abramov) -0.1446797E+00 Ex_ueg -0.9066376E-01 Ec_ueg -0.1221404E-01 Delta_ex -0.8937810E-01 Delta_ec 0.1785632E-01 Delta_et -0.2460912E+00 Pxc 0.7422915E+01 Qxc -0.5005404E+01 3,-1 122 3 -1 0.139337 -1.588831 3.032910 Rho 0.1522672E+00 |GRAD(Rho)| 0.7618018E-13 GRAD(Rho)x -0.1721735E-13 GRAD(Rho)y 0.6707172E-13 GRAD(Rho)z 0.3175479E-13 Laplacian 0.6262305E+00 (-1/4)Del**2(Rho)) -0.1565576E+00 Diamond 0.1284515E+01 Metallicity 0.4777744E+01 Ellipticity 0.1556302E-01 Gb(Abramov) 0.2290371E+00 Vb(Abramov) -0.3015166E+00 Hb(Abramov) -0.7247949E-01 Ex_ueg -0.6005191E-01 Ec_ueg -0.8588804E-02 Delta_ex -0.6742561E-01 Delta_ec 0.1569695E-01 Delta_et -0.2090769E+00 Pxc 0.6991882E+01 Qxc -0.4295460E+01 3,-1 123 3 -1 0.019249 3.601453 -0.989160 Rho 0.2150552E+00 |GRAD(Rho)| 0.2762437E-13 GRAD(Rho)x 0.4070176E-14 GRAD(Rho)y 0.2184966E-14 GRAD(Rho)z 0.2723538E-13 Laplacian 0.8368232E+00 (-1/4)Del**2(Rho)) -0.2092058E+00 Diamond 0.2577851E+01 Metallicity 0.6356668E+01 Ellipticity 0.4362563E-02 Gb(Abramov) 0.3611125E+00 Vb(Abramov) -0.5130192E+00 Hb(Abramov) -0.1519067E+00 Ex_ueg -0.9515942E-01 Ec_ueg -0.1273182E-01 Delta_ex -0.9816953E-01 Delta_ec 0.1890961E-01 Delta_et -0.2598848E+00 Pxc 0.7474139E+01 Qxc -0.5191514E+01 3,-1 124 3 -1 0.746298 -2.729576 2.481454 Rho 0.1652396E+00 |GRAD(Rho)| 0.7736430E-13 GRAD(Rho)x 0.4605649E-13 GRAD(Rho)y -0.5545014E-13 GRAD(Rho)z -0.2809480E-13 Laplacian 0.6363256E+00 (-1/4)Del**2(Rho)) -0.1590814E+00 Diamond 0.1450518E+01 Metallicity 0.5388367E+01 Ellipticity 0.2986704E-01 Gb(Abramov) 0.2489191E+00 Vb(Abramov) -0.3387568E+00 Hb(Abramov) -0.8983770E-01 Ex_ueg -0.6696848E-01 Ec_ueg -0.9426099E-02 Delta_ex -0.7000922E-01 Delta_ec 0.1578879E-01 Delta_et -0.2129386E+00 Pxc 0.7104581E+01 Qxc -0.4434110E+01 3,-1 125 3 -1 0.425303 -2.480858 0.144527 Rho 0.5152706E-01 |GRAD(Rho)| 0.6087789E-15 GRAD(Rho)x -0.1067228E-15 GRAD(Rho)y -0.5792638E-15 GRAD(Rho)z -0.1538681E-15 Laplacian 0.1924222E+00 (-1/4)Del**2(Rho)) -0.4810555E-01 Diamond 0.1005948E+00 Metallicity 0.2555153E+01 Ellipticity 0.2730046E-01 Gb(Abramov) 0.5255654E-01 Vb(Abramov) -0.5700753E-01 Hb(Abramov) -0.4450992E-02 Ex_ueg -0.1416116E-01 Ec_ueg -0.2499457E-02 Delta_ex -0.1591702E-01 Delta_ec 0.5656616E-02 Delta_et -0.6009367E-01 Pxc 0.5665696E+01 Qxc -0.2813877E+01 3,-1 126 3 -1 0.744249 2.726323 2.478535 Rho 0.1684123E+00 |GRAD(Rho)| 0.2447143E-15 GRAD(Rho)x 0.1072005E-15 GRAD(Rho)y -0.1891391E-15 GRAD(Rho)z 0.1123369E-15 Laplacian 0.6499375E+00 (-1/4)Del**2(Rho)) -0.1624844E+00 Diamond 0.1513572E+01 Metallicity 0.5445419E+01 Ellipticity 0.3325509E-01 Gb(Abramov) 0.2557888E+00 Vb(Abramov) -0.3490933E+00 Hb(Abramov) -0.9330446E-01 Ex_ueg -0.6868842E-01 Ec_ueg -0.9632405E-02 Delta_ex -0.7182765E-01 Delta_ec 0.1601449E-01 Delta_et -0.2163872E+00 Pxc 0.7130973E+01 Qxc -0.4485165E+01 3,-1 127 3 -1 1.300173 -2.236364 3.831867 Rho 0.2105566E+00 |GRAD(Rho)| 0.1072650E-14 GRAD(Rho)x -0.1627659E-16 GRAD(Rho)y 0.2760650E-15 GRAD(Rho)z -0.1036389E-14 Laplacian 0.7606779E+00 (-1/4)Del**2(Rho)) -0.1901695E+00 Diamond 0.2318755E+01 Metallicity 0.6750882E+01 Ellipticity 0.3540819E-02 Gb(Abramov) 0.3407482E+00 Vb(Abramov) -0.4913270E+00 Hb(Abramov) -0.1505788E+00 Ex_ueg -0.9251459E-01 Ec_ueg -0.1242757E-01 Delta_ex -0.8896884E-01 Delta_ec 0.1767993E-01 Delta_et -0.2441307E+00 Pxc 0.7444301E+01 Qxc -0.5032194E+01 3,-1 128 3 -1 1.976251 -2.000258 2.467929 Rho 0.1738861E+00 |GRAD(Rho)| 0.1185598E-11 GRAD(Rho)x -0.1037109E-11 GRAD(Rho)y 0.1092118E-12 GRAD(Rho)z 0.5640218E-12 Laplacian 0.6760567E+00 (-1/4)Del**2(Rho)) -0.1690142E+00 Diamond 0.1625735E+01 Metallicity 0.5521681E+01 Ellipticity 0.2589996E-01 Gb(Abramov) 0.2682165E+00 Vb(Abramov) -0.3674188E+00 Hb(Abramov) -0.9920233E-01 Ex_ueg -0.7168111E-01 Ec_ueg -0.9989717E-02 Delta_ex -0.7522982E-01 Delta_ec 0.1637008E-01 Delta_et -0.2215789E+00 Pxc 0.7175489E+01 Qxc -0.4595568E+01 3,-1 129 3 -1 -3.101058 1.754593 -1.040135 Rho 0.1870706E+00 |GRAD(Rho)| 0.2777355E-15 GRAD(Rho)x 0.1065229E-15 GRAD(Rho)y -0.6803962E-16 GRAD(Rho)z 0.2473065E-15 Laplacian 0.7501162E+00 (-1/4)Del**2(Rho)) -0.1875290E+00 Diamond 0.1964161E+01 Metallicity 0.5621175E+01 Ellipticity 0.7854487E-02 Gb(Abramov) 0.3007083E+00 Vb(Abramov) -0.4138876E+00 Hb(Abramov) -0.1131793E+00 Ex_ueg -0.7901794E-01 Ec_ueg -0.1085747E-01 Delta_ex -0.8498528E-01 Delta_ec 0.1774700E-01 Delta_et -0.2417938E+00 Pxc 0.7277750E+01 Qxc -0.4788714E+01 3,-1 130 3 -1 -0.002386 0.003233 -1.169088 Rho 0.2038425E+00 |GRAD(Rho)| 0.4104093E-15 GRAD(Rho)x 0.9887924E-16 GRAD(Rho)y -0.3944328E-15 GRAD(Rho)z 0.5551115E-16 Laplacian 0.5906355E+00 (-1/4)Del**2(Rho)) -0.1476589E+00 Diamond 0.1683237E+01 Metallicity 0.8237298E+01 Ellipticity 0.1963401E-02 Gb(Abramov) 0.3011576E+00 Vb(Abramov) -0.4546564E+00 Hb(Abramov) -0.1534987E+00 Ex_ueg -0.8860223E-01 Ec_ueg -0.1197557E-01 Delta_ex -0.6818946E-01 Delta_ec 0.1327951E-01 Delta_et -0.1809035E+00 Pxc 0.7398583E+01 Qxc -0.5134936E+01 3,-1 131 3 -1 0.371672 -0.681031 -0.033023 Rho 0.1589455E+00 |GRAD(Rho)| 0.1071133E-12 GRAD(Rho)x -0.3609613E-13 GRAD(Rho)y 0.8915091E-13 GRAD(Rho)z -0.4714285E-13 Laplacian 0.3617302E+00 (-1/4)Del**2(Rho)) -0.9043254E-01 Diamond 0.8071651E+00 Metallicity 0.8884686E+01 Ellipticity 0.2350966E-02 Gb(Abramov) 0.1941992E+00 Vb(Abramov) -0.2979658E+00 Hb(Abramov) -0.1037666E+00 Ex_ueg -0.6358910E-01 Ec_ueg -0.9018592E-02 Delta_ex -0.3960211E-01 Delta_ec 0.9396420E-02 Delta_et -0.1269394E+00 Pxc 0.7050890E+01 Qxc -0.4214595E+01 3,-1 132 3 -1 1.312563 -0.893024 3.047107 Rho 0.1324458E+00 |GRAD(Rho)| 0.1437417E-14 GRAD(Rho)x 0.2475742E-15 GRAD(Rho)y -0.1405926E-14 GRAD(Rho)z 0.1680700E-15 Laplacian 0.5468527E+00 (-1/4)Del**2(Rho)) -0.1367132E+00 Diamond 0.9530035E+00 Metallicity 0.4336502E+01 Ellipticity 0.1553757E-01 Gb(Abramov) 0.1899516E+00 Vb(Abramov) -0.2431901E+00 Hb(Abramov) -0.5323844E-01 Ex_ueg -0.4986194E-01 Ec_ueg -0.7329447E-02 Delta_ex -0.5695658E-01 Delta_ec 0.1427573E-01 Delta_et -0.1864836E+00 Pxc 0.6802960E+01 Qxc -0.3989748E+01 3,-1 133 3 -1 3.115536 -1.902540 -1.102393 Rho 0.1876294E+00 |GRAD(Rho)| 0.4359737E-15 GRAD(Rho)x 0.2601831E-16 GRAD(Rho)y 0.6127098E-16 GRAD(Rho)z -0.4308619E-15 Laplacian 0.7388511E+00 (-1/4)Del**2(Rho)) -0.1847128E+00 Diamond 0.1951983E+01 Metallicity 0.5735323E+01 Ellipticity 0.2215484E-02 Gb(Abramov) 0.2997064E+00 Vb(Abramov) -0.4147001E+00 Hb(Abramov) -0.1149937E+00 Ex_ueg -0.7933285E-01 Ec_ueg -0.1089447E-01 Delta_ex -0.8384901E-01 Delta_ec 0.1760337E-01 Delta_et -0.2403414E+00 Pxc 0.7281937E+01 Qxc -0.4763236E+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 59 125 85 84 88 91 87 114 90 123 119 105 120 121 77 118 78 65 63 64 106 110 133 108 107 100 93 95 86 99 126 51 53 129 116 117 52 48 60 54 55 49 50 66 132 122 128 124 127 96 111 113 115 112 109 131 130 92 81 67 1 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 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 36 36 36 26 2.364563 1.937562 1.783650 2.154983 1.921096 1.798943 1.854760 2.397465 1.783903 1.913302 1.928577 2.172745 1.799553 2.628868 2.035502 2.013665 1.963749 1.919621 1.842125 2.432088 1.970030 1.836221 2.234931 2.077094 1.793005 2.675202 1.969528 1.928138 1.864257 1.880621 1.855208 2.402971 1.837120 2.024476 2.074182 2.164293 2.373467 1.791952 1.985534 1.926047 2.057151 1.799750 2.683938 1.965112 1.912560 1.868856 1.888461 1.793650 2.441570 1.973251 1.835604 1.854643 2.243970 2.064920 1.770485 1.653839 1.768012 1.767329 3.248550 2.366436 1.938011 1.783684 2.155370 1.921509 1.798963 1.854769 2.399558 1.783935 1.913636 1.929024 2.173109 1.799571 2.630489 2.035742 2.013964 1.963983 1.919827 1.842131 2.434345 1.970178 1.836232 2.235133 2.077308 1.793012 2.676558 1.969997 1.928561 1.864610 1.880988 1.855217 2.405228 1.837136 2.024657 2.074376 2.164545 2.375237 1.792047 1.985863 1.926421 2.057503 1.799772 2.685395 1.965572 1.912978 1.869227 1.888828 1.793657 2.443885 1.973398 1.835615 1.854654 2.244180 2.065127 1.770511 1.653848 1.768033 1.767349 3.266645 27 26 24 28 25 26 24 31 24 24 25 26 25 33 24 27 28 24 23 29 25 25 28 25 25 29 27 28 27 25 23 27 25 26 25 27 27 24 26 25 24 25 33 26 24 23 24 24 29 24 23 23 27 28 24 23 24 24 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 W O W Ta Ta W Ta O O 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 As O O O O O O O O 2.2687 -1.0646 2.2645 2.0361 1.9657 2.2772 1.9495 -0.9627 -1.0586 2.2477 2.2769 1.9650 -1.0680 -0.9767 -1.0622 -1.0793 -0.9031 -1.0469 -1.0181 -0.9951 -1.0353 -0.9962 -0.9099 -0.9910 -1.0077 -0.9025 -1.0044 -1.0356 -1.0010 -1.0652 -0.9965 -1.0417 -1.0166 -1.0471 -1.0631 2.1202 -0.9635 -1.0611 -1.0416 -1.0120 -0.9623 -0.9649 -0.9678 -1.0490 2.1625 1.9221 2.1676 2.1498 2.1723 2.1448 2.1724 1.9382 1.9215 2.1662 2.1425 2.1730 1.9341 1.9389 1.9351 1.9323 1.9397 1.9178 1.9240 1.9222 1.9229 1.9226 1.9396 1.9242 1.9232 1.9402 1.9213 1.9228 1.9315 1.9221 1.9321 1.9263 1.9293 1.9259 1.9231 0.9167 1.9355 1.9222 1.9268 1.9301 1.9368 1.9379 1.9368 1.9247 6.1179 5.1226 6.1226 6.1004 6.1067 6.1210 6.1104 4.9972 5.1171 6.1255 6.1203 6.1070 5.1039 5.0089 5.0975 5.1170 4.9357 5.1064 5.0726 5.0460 5.0911 5.0477 4.9420 5.0400 5.0593 4.9339 5.0574 5.0915 5.0436 5.1231 5.0384 5.0888 5.0605 5.0947 5.1166 1.4381 5.0016 5.1165 5.0881 5.0551 4.9990 4.9998 5.0046 5.1032 3.4213 0.0199 3.4159 2.6787 2.7217 3.4270 2.7336 0.0273 0.0199 3.4309 3.4304 2.7213 0.0299 0.0289 0.0297 0.0301 0.0277 0.0227 0.0215 0.0268 0.0213 0.0259 0.0282 0.0268 0.0252 0.0284 0.0256 0.0212 0.0258 0.0199 0.0261 0.0266 0.0267 0.0265 0.0235 10.5249 0.0263 0.0224 0.0267 0.0268 0.0265 0.0272 0.0264 0.0211 14.0295 0.0000 14.0294 14.0351 14.0337 14.0299 14.0340 0.0000 0.0000 14.0298 14.0300 14.0336 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 W O W Ta Ta W Ta O O 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 As O O O O O O O O 2.473759 -1.205075 2.469743 2.335226 2.322101 2.469141 2.326342 -1.045826 -1.207023 2.473246 2.467502 2.321769 -1.084315 -1.084402 -1.083767 -1.089277 -0.992836 -1.105503 -1.135907 -1.046333 -1.151913 -1.059038 -0.996671 -1.030098 -1.056585 -0.985688 -1.064621 -1.152277 -1.068772 -1.205162 -1.064400 -1.087113 -1.064766 -1.082759 -1.118091 2.273640 -1.053811 -1.141549 -1.078386 -1.060675 -1.045640 -1.048917 -1.051436 -1.183839 1.955408 -1.195631 1.956763 1.809207 1.858261 1.905591 1.865275 -1.003736 -1.194201 1.949445 1.901737 1.858646 -0.670940 -0.945634 -0.672340 -0.666696 -0.913419 -0.805670 -1.090315 -0.770731 -1.111549 -0.800046 -0.919713 -0.728193 -0.766831 -0.907618 -0.803112 -1.112171 -0.923904 -1.196571 -0.920448 -0.930479 -0.915814 -0.912979 -0.962947 1.815842 -1.011877 -1.005316 -0.914801 -0.911050 -1.004198 -1.006331 -1.011345 -1.169570 2.058749 -1.180136 2.064951 1.931063 1.977989 2.025339 1.979808 -0.963201 -1.178172 2.056722 2.021687 1.977931 -0.777100 -0.867236 -0.779345 -0.780869 -0.914800 -0.937501 -1.101829 -0.888213 -1.118080 -0.903462 -0.914249 -0.831991 -0.872652 -0.903846 -0.910855 -1.118821 -0.932945 -1.181000 -0.926363 -0.983053 -0.935799 -0.975248 -1.002005 1.763009 -0.982860 -1.029635 -0.973493 -0.927859 -0.978422 -0.966171 -0.985961 -1.134078 -4.83090632 -4.85876512 -36.96943473 37.59899412 -120.73052194 21.10237278 24.67398095 -35.27433732 4.65070090 156.00485926 -286.7737 350.8262 127.6277 -389.6908 -208.4658 -406.4764 Jun19-2024 21:38:54 Nodes: 1 Procs: 1 Jun19-2024 21:38:59 Nodes: 1 Procs: 1 0 Jun19-2024 21:39:07 Nodes: 1 Procs: 1 Jun19-2024 21:39:11 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 21:39:15 Nodes: 1 Procs: 1 Jun19-2024 21:39:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 21:39:36 Nodes: 1 Procs: 1 Jun19-2024 21:39:39 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 21:39:45 Nodes: 1 Procs: 5 *** (NO TITLE) *** -13 -14.52780177 -14.78675857 -14.86822986 -14.90393630 -14.91348868 -14.92506917 -14.92897654 -14.93170013 -14.93315094 -14.93508831 -14.93574606 -14.93644249 -14.93726298 -14.93712573 -14.93750895 -14.93769028 -14.93769290 -14.93773466 -14.93772766 -14.93773423 GEOMETRY CONVERGED