ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:54:57 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.04 1.43 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun21-2024 08:54:57 Nodes: 1 Procs: 1 Jun21-2024 08:54:59 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:55:02 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.06 3.01 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 Jun21-2024 08:54:57 Nodes: 1 Procs: 1 Jun21-2024 08:54:59 Nodes: 1 Procs: 1 0 Jun21-2024 08:55:02 Nodes: 1 Procs: 1 Jun21-2024 08:55:05 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:55:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.09 3.32 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 Jun21-2024 08:54:57 Nodes: 1 Procs: 1 Jun21-2024 08:54:59 Nodes: 1 Procs: 1 0 Jun21-2024 08:55:02 Nodes: 1 Procs: 1 Jun21-2024 08:55:05 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:55:08 Nodes: 1 Procs: 1 Jun21-2024 08:55:10 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:55:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.98 0.06 1.52 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 Jun21-2024 08:54:57 Nodes: 1 Procs: 1 Jun21-2024 08:54:59 Nodes: 1 Procs: 1 0 Jun21-2024 08:55:02 Nodes: 1 Procs: 1 Jun21-2024 08:55:05 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:55:08 Nodes: 1 Procs: 1 Jun21-2024 08:55:10 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:55:14 Nodes: 1 Procs: 1 Jun21-2024 08:55:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:55:19 Hydrogen (TZP) c3-10 c3-10 c3-10 c3-10 c3-10 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.07 3.25 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 Jun21-2024 08:54:57 Nodes: 1 Procs: 1 Jun21-2024 08:54:59 Nodes: 1 Procs: 1 0 Jun21-2024 08:55:02 Nodes: 1 Procs: 1 Jun21-2024 08:55:05 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:55:08 Nodes: 1 Procs: 1 Jun21-2024 08:55:10 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:55:14 Nodes: 1 Procs: 1 Jun21-2024 08:55:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:55:19 Nodes: 1 Procs: 1 Jun21-2024 08:55:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:55:27 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2700.893500000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Ta ADF 2019.304 Jun21-2024 08:55:10 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun21-2024 08:55:05 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun21-2024 08:55:21 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun21-2024 08:55:16 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun21-2024 08:54:59 1 1 Hydrogen TZP 1 1 -17.23386185 0.23461427 0.00100000 F 0.08169572 0.00066667 F 0.23461427 0.08169572 0.29274979 0.01000000 F 0.06966669 0.00666667 F Cartesian 2700.893500000006 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0.157291 -3.808892 3.768788 -0.285583 -3.992979 -3.741547 0.181376 -3.928996 0.501553 -3.597693 -3.887291 -0.178631 3.879219 3.854556 0.186864 3.896879 1.161771 -2.344658 -1.986266 -0.638675 -3.425007 -1.370125 1 3 -3 0.090371 -2.616907 2.597318 Rho 0.3882647E+07 3,-3 2 3 -3 -0.099138 2.599386 2.585593 Rho 0.3882647E+07 3,-3 3 3 -3 2.605149 -2.611201 0.142845 Rho 0.3882647E+07 3,-3 4 3 -3 2.605964 2.561575 -0.080523 Rho 0.3882647E+07 3,-3 5 3 -3 -2.627961 -2.564430 -0.080362 Rho 0.3882647E+07 3,-3 6 3 -3 -2.573455 0.092382 2.645964 Rho 0.3882647E+07 3,-3 7 3 -3 2.590641 -0.107741 2.621594 Rho 0.3882647E+07 3,-3 8 3 -3 -0.086320 -0.055172 -0.047391 Rho 0.4276091E+05 3,-3 9 3 -3 0.107179 2.527569 -2.528271 Rho 0.4361414E+07 3,-3 10 3 -3 -2.617428 2.515472 0.133094 Rho 0.4361415E+07 3,-3 11 3 -3 -2.574816 -0.209714 -2.676493 Rho 0.4361415E+07 3,-3 12 3 -3 2.591390 0.033522 -2.607282 Rho 0.4361415E+07 3,-3 13 3 -3 0.929434 -1.014740 0.948395 Rho 0.3190058E+03 3,-3 14 3 -3 -1.104944 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3,-3 48 3 -3 -3.992979 -3.741547 0.181376 Rho 0.3190287E+03 3,-3 49 3 -3 -3.928996 0.501553 -3.597693 Rho 0.3191143E+03 3,-3 50 3 -3 -3.887291 -0.178631 3.879219 Rho 0.3190250E+03 3,-3 51 3 -3 3.854556 0.186864 3.896879 Rho 0.3190257E+03 3,-3 52 3 -3 1.161771 -2.344658 -1.986266 Rho 0.4353059E+00 3,-3 53 3 -3 -0.638675 -3.425007 -1.370125 Rho 0.4474487E+00 3,-3 54 3 +3 2.354558 -0.008958 0.029091 Rho 0.3731720E-02 |GRAD(Rho)| 0.8711367E-18 GRAD(Rho)x -0.3241820E-18 GRAD(Rho)y 0.6917816E-18 GRAD(Rho)z 0.4185969E-18 Laplacian 0.1470954E-01 (-1/4)Del**2(Rho)) -0.3677386E-02 Diamond 0.8945308E-04 Metallicity 0.4205934E+00 Ellipticity -0.2564072E+00 Gb(Abramov) 0.2709371E-02 Vb(Abramov) -0.1741357E-02 Hb(Abramov) 0.9680146E-03 Ex_ueg -0.4274945E-03 Ec_ueg -0.9274862E-04 Delta_ex -0.4971557E-03 Delta_ec 0.1151743E-03 Delta_et -0.7165391E-03 Pxc 0.4609174E+01 Qxc -0.4316551E+01 3,+3 55 3 +1 -0.654838 -1.710945 0.560544 Rho 0.7852095E-02 |GRAD(Rho)| 0.8601379E-17 GRAD(Rho)x -0.2669757E-17 GRAD(Rho)y -0.6088274E-17 GRAD(Rho)z 0.5457933E-17 Laplacian 0.2820255E-01 (-1/4)Del**2(Rho)) -0.7050637E-02 Diamond 0.6589592E-03 Metallicity 0.7579387E+00 Ellipticity -0.1490722E+01 Gb(Abramov) 0.5591083E-02 Vb(Abramov) -0.4131529E-02 Hb(Abramov) 0.1459554E-02 Ex_ueg -0.1152654E-02 Ec_ueg -0.2716420E-03 Delta_ex -0.1255212E-02 Delta_ec 0.3897577E-03 Delta_et -0.2608116E-02 Pxc 0.4243284E+01 Qxc -0.3220495E+01 3,+1 56 3 +1 -1.746750 -0.536634 0.566960 Rho 0.8629624E-02 |GRAD(Rho)| 0.9350067E-16 GRAD(Rho)x 0.5980781E-16 GRAD(Rho)y 0.7185155E-16 GRAD(Rho)z -0.1660320E-17 Laplacian 0.3173788E-01 (-1/4)Del**2(Rho)) -0.7934470E-02 Diamond 0.8390112E-03 Metallicity 0.7882943E+00 Ellipticity -0.1497655E+01 Gb(Abramov) 0.6332096E-02 Vb(Abramov) -0.4729722E-02 Hb(Abramov) 0.1602374E-02 Ex_ueg -0.1307297E-02 Ec_ueg -0.3063058E-03 Delta_ex -0.1444748E-02 Delta_ec 0.4351321E-03 Delta_et -0.2986049E-02 Pxc 0.4267947E+01 Qxc -0.3320251E+01 3,+1 57 3 -1 -3.304713 0.173726 -3.171085 Rho 0.2150777E+00 |GRAD(Rho)| 0.5944754E-15 GRAD(Rho)x -0.3812597E-15 GRAD(Rho)y 0.1595946E-15 GRAD(Rho)z -0.4272841E-15 Laplacian 0.7959866E+00 (-1/4)Del**2(Rho)) -0.1989967E+00 Diamond 0.2478868E+01 Metallicity 0.6683948E+01 Ellipticity 0.1745597E-01 Gb(Abramov) 0.3543450E+00 Vb(Abramov) -0.5096933E+00 Hb(Abramov) -0.1553483E+00 Ex_ueg -0.9517267E-01 Ec_ueg -0.1273335E-01 Delta_ex -0.9354472E-01 Delta_ec 0.1827786E-01 Delta_et -0.2523318E+00 Pxc 0.7474286E+01 Qxc -0.5117924E+01 3,-1 58 3 -1 -3.082283 -2.004825 -0.900896 Rho 0.1011561E+00 |GRAD(Rho)| 0.4488767E-13 GRAD(Rho)x -0.3766970E-13 GRAD(Rho)y -0.2326861E-13 GRAD(Rho)z 0.7380266E-14 Laplacian 0.4172406E+00 (-1/4)Del**2(Rho)) -0.1043102E+00 Diamond 0.5449261E+00 Metallicity 0.3626994E+01 Ellipticity 0.2340667E-01 Gb(Abramov) 0.1325955E+00 Vb(Abramov) -0.1608808E+00 Hb(Abramov) -0.2828534E-01 Ex_ueg -0.3481032E-01 Ec_ueg -0.5395139E-02 Delta_ex -0.4108609E-01 Delta_ec 0.1216908E-01 Delta_et -0.1522115E+00 Pxc 0.6452163E+01 Qxc -0.3376270E+01 3,-1 59 3 +3 -2.352639 -0.013313 0.047654 Rho 0.4970175E-02 |GRAD(Rho)| 0.8251400E-17 GRAD(Rho)x -0.1929179E-17 GRAD(Rho)y 0.7161534E-17 GRAD(Rho)z -0.3616116E-17 Laplacian 0.2017671E-01 (-1/4)Del**2(Rho)) -0.5044178E-02 Diamond 0.1841233E-03 Metallicity 0.4943664E+00 Ellipticity -0.3883734E+00 Gb(Abramov) 0.3778397E-02 Vb(Abramov) -0.2512617E-02 Hb(Abramov) 0.1265781E-02 Ex_ueg -0.6264417E-03 Ec_ueg -0.1456295E-03 Delta_ex -0.7374674E-03 Delta_ec 0.1630332E-03 Delta_et -0.1074901E-02 Pxc 0.4301611E+01 Qxc -0.4523417E+01 3,+3 60 3 +1 -1.698013 0.520092 -0.517122 Rho 0.9746401E-02 |GRAD(Rho)| 0.1257365E-14 GRAD(Rho)x 0.3097959E-15 GRAD(Rho)y 0.1210372E-14 GRAD(Rho)z -0.1413966E-15 Laplacian 0.3772778E-01 (-1/4)Del**2(Rho)) -0.9431944E-02 Diamond 0.1233585E-02 Metallicity 0.8122550E+00 Ellipticity -0.1551297E+01 Gb(Abramov) 0.7564820E-02 Vb(Abramov) -0.5697696E-02 Hb(Abramov) 0.1867124E-02 Ex_ueg -0.1537602E-02 Ec_ueg -0.3565608E-03 Delta_ex -0.1793076E-02 Delta_ec 0.5554112E-03 Delta_et -0.3900721E-02 Pxc 0.4312315E+01 Qxc -0.3228376E+01 3,+1 61 3 -1 -1.775934 1.710465 0.554331 Rho 0.4694809E-01 |GRAD(Rho)| 0.8408393E-12 GRAD(Rho)x -0.5230494E-12 GRAD(Rho)y -0.2546039E-12 GRAD(Rho)z -0.6071300E-12 Laplacian 0.1854114E+00 (-1/4)Del**2(Rho)) -0.4635285E-01 Diamond 0.8526387E-01 Metallicity 0.2270771E+01 Ellipticity 0.2823399E-01 Gb(Abramov) 0.4844469E-01 Vb(Abramov) -0.5053652E-01 Hb(Abramov) -0.2091832E-02 Ex_ueg -0.1250861E-01 Ec_ueg -0.2246883E-02 Delta_ex -0.1497459E-01 Delta_ec 0.5442259E-02 Delta_et -0.5642726E-01 Pxc 0.5567093E+01 Qxc -0.2751540E+01 3,-1 62 3 +1 -0.598366 -0.594305 1.733627 Rho 0.7214620E-02 |GRAD(Rho)| 0.4832745E-13 GRAD(Rho)x 0.2708390E-13 GRAD(Rho)y 0.2656762E-13 GRAD(Rho)z 0.2993604E-13 Laplacian 0.2645778E-01 (-1/4)Del**2(Rho)) -0.6614445E-02 Diamond 0.5398224E-03 Metallicity 0.7015881E+00 Ellipticity -0.1406940E+01 Gb(Abramov) 0.5183066E-02 Vb(Abramov) -0.3751687E-02 Hb(Abramov) 0.1431379E-02 Ex_ueg -0.1029603E-02 Ec_ueg -0.2434275E-03 Delta_ex -0.1146492E-02 Delta_ec 0.3543597E-03 Delta_et -0.2329759E-02 Pxc 0.4229608E+01 Qxc -0.3235390E+01 3,+1 63 3 -1 -3.258869 3.190338 -0.091573 Rho 0.2182775E+00 |GRAD(Rho)| 0.4962414E-15 GRAD(Rho)x -0.3776818E-15 GRAD(Rho)y -0.1458794E-15 GRAD(Rho)z -0.2869341E-15 Laplacian 0.8105298E+00 (-1/4)Del**2(Rho)) -0.2026324E+00 Diamond 0.2559539E+01 Metallicity 0.6727587E+01 Ellipticity 0.6390446E-02 Gb(Abramov) 0.3622928E+00 Vb(Abramov) -0.5219532E+00 Hb(Abramov) -0.1596604E+00 Ex_ueg -0.9706525E-01 Ec_ueg -0.1295044E-01 Delta_ex -0.9555767E-01 Delta_ec 0.1842819E-01 Delta_et -0.2542315E+00 Pxc 0.7495131E+01 Qxc -0.5185408E+01 3,-1 64 3 -1 -3.061312 -0.902445 -2.109140 Rho 0.1551464E+00 |GRAD(Rho)| 0.4157879E-15 GRAD(Rho)x -0.3418625E-15 GRAD(Rho)y -0.2322361E-15 GRAD(Rho)z -0.4556360E-16 Laplacian 0.5850859E+00 (-1/4)Del**2(Rho)) -0.1462715E+00 Diamond 0.1245458E+01 Metallicity 0.5275900E+01 Ellipticity 0.3508632E-01 Gb(Abramov) 0.2261333E+00 Vb(Abramov) -0.3059951E+00 Hb(Abramov) -0.7986179E-01 Ex_ueg -0.6157071E-01 Ec_ueg -0.8773770E-02 Delta_ex -0.6345951E-01 Delta_ec 0.1490336E-01 Delta_et -0.1997496E+00 Pxc 0.7017588E+01 Qxc -0.4258068E+01 3,-1 65 3 +1 -3.008940 -0.281667 -0.275996 Rho 0.5690269E-02 |GRAD(Rho)| 0.7044599E-15 GRAD(Rho)x -0.1008935E-15 GRAD(Rho)y -0.3098205E-15 GRAD(Rho)z -0.6245763E-15 Laplacian 0.2246268E-01 (-1/4)Del**2(Rho)) -0.5615670E-02 Diamond 0.4420078E-03 Metallicity 0.5563818E+00 Ellipticity -0.1515871E+01 Gb(Abramov) 0.4264523E-02 Vb(Abramov) -0.2913376E-02 Hb(Abramov) 0.1351147E-02 Ex_ueg -0.7502894E-03 Ec_ueg -0.1767378E-03 Delta_ex -0.1003609E-02 Delta_ec 0.4543264E-03 Delta_et -0.2665559E-02 Pxc 0.4245212E+01 Qxc -0.2209004E+01 3,+1 66 3 -1 -3.010305 0.057953 0.086879 Rho 0.6084445E-02 |GRAD(Rho)| 0.6978063E-17 GRAD(Rho)x 0.1552926E-17 GRAD(Rho)y 0.3005542E-17 GRAD(Rho)z -0.6103155E-17 Laplacian 0.2345691E-01 (-1/4)Del**2(Rho)) -0.5864227E-02 Diamond 0.8045177E-03 Metallicity 0.5957225E+00 Ellipticity 0.1425368E+01 Gb(Abramov) 0.4491727E-02 Vb(Abramov) -0.3119226E-02 Hb(Abramov) 0.1372500E-02 Ex_ueg -0.8203761E-03 Ec_ueg -0.1938753E-03 Delta_ex -0.1277845E-02 Delta_ec 0.8562890E-03 Delta_et -0.4885868E-02 Pxc 0.4231463E+01 Qxc -0.1492306E+01 3,-1 67 3 +1 -2.294881 -1.457364 -1.075609 Rho 0.2787143E-01 |GRAD(Rho)| 0.1795983E-14 GRAD(Rho)x -0.4819552E-15 GRAD(Rho)y -0.1308401E-14 GRAD(Rho)z 0.1131971E-14 Laplacian 0.1094783E+00 (-1/4)Del**2(Rho)) -0.2736958E-01 Diamond 0.1468313E-01 Metallicity 0.1612688E+01 Ellipticity -0.2502620E+01 Gb(Abramov) 0.2560282E-01 Vb(Abramov) -0.2383606E-01 Hb(Abramov) 0.1766761E-02 Ex_ueg -0.6241142E-02 Ec_ueg -0.1234345E-02 Delta_ex -0.6827258E-02 Delta_ec 0.1530955E-02 Delta_et -0.1392405E-01 Pxc 0.5056237E+01 Qxc -0.4459478E+01 3,+1 68 3 +1 -3.002789 0.227726 0.266743 Rho 0.6022064E-02 |GRAD(Rho)| 0.4106386E-15 GRAD(Rho)x -0.2806318E-16 GRAD(Rho)y 0.3248438E-15 GRAD(Rho)z 0.2496258E-15 Laplacian 0.2425873E-01 (-1/4)Del**2(Rho)) -0.6064682E-02 Diamond 0.6365067E-03 Metallicity 0.5662228E+00 Ellipticity -0.2354192E+01 Gb(Abramov) 0.4615449E-02 Vb(Abramov) -0.3166215E-02 Hb(Abramov) 0.1449234E-02 Ex_ueg -0.8091807E-03 Ec_ueg -0.1911581E-03 Delta_ex -0.1185588E-02 Delta_ec 0.6474292E-03 Delta_et -0.3763571E-02 Pxc 0.4233044E+01 Qxc -0.1831225E+01 3,+1 69 3 -1 -3.277785 -0.051917 3.306959 Rho 0.1952055E+00 |GRAD(Rho)| 0.1516045E-12 GRAD(Rho)x 0.1081466E-12 GRAD(Rho)y 0.2516849E-13 GRAD(Rho)z -0.1032221E-12 Laplacian 0.7409636E+00 (-1/4)Del**2(Rho)) -0.1852409E+00 Diamond 0.2054866E+01 Metallicity 0.6108992E+01 Ellipticity 0.3125204E-02 Gb(Abramov) 0.3120998E+00 Vb(Abramov) -0.4389587E+00 Hb(Abramov) -0.1268589E+00 Ex_ueg -0.8363235E-01 Ec_ueg -0.1139781E-01 Delta_ex -0.8495182E-01 Delta_ec 0.1749088E-01 Delta_et -0.2397472E+00 Pxc 0.7337583E+01 Qxc -0.4856920E+01 3,-1 70 3 -1 -2.783847 0.512821 -1.833993 Rho 0.8399273E-01 |GRAD(Rho)| 0.8814091E-16 GRAD(Rho)x 0.1735740E-16 GRAD(Rho)y 0.2407945E-16 GRAD(Rho)z 0.8299229E-16 Laplacian 0.3512757E+00 (-1/4)Del**2(Rho)) -0.8781893E-01 Diamond 0.3543394E+00 Metallicity 0.3160103E+01 Ellipticity 0.8621370E-02 Gb(Abramov) 0.1047988E+00 Vb(Abramov) -0.1217786E+00 Hb(Abramov) -0.1697983E-01 Ex_ueg -0.2716694E-01 Ec_ueg -0.4366067E-02 Delta_ex -0.3289622E-01 Delta_ec 0.1018799E-01 Delta_et -0.1220457E+00 Pxc 0.6222291E+01 Qxc -0.3228921E+01 3,-1 71 3 -1 -3.060458 0.891323 2.057158 Rho 0.9378714E-01 |GRAD(Rho)| 0.2260053E-14 GRAD(Rho)x 0.4382481E-15 GRAD(Rho)y -0.1812928E-14 GRAD(Rho)z 0.1276350E-14 Laplacian 0.3888878E+00 (-1/4)Del**2(Rho)) -0.9722194E-01 Diamond 0.4618467E+00 Metallicity 0.3430528E+01 Ellipticity 0.9311170E-02 Gb(Abramov) 0.1204017E+00 Vb(Abramov) -0.1435815E+00 Hb(Abramov) -0.2317979E-01 Ex_ueg -0.3147092E-01 Ec_ueg -0.4950261E-02 Delta_ex -0.3760354E-01 Delta_ec 0.1146990E-01 Delta_et -0.1411585E+00 Pxc 0.6357426E+01 Qxc -0.3278454E+01 3,-1 72 3 -1 -1.753123 0.514986 1.784723 Rho 0.4119478E-01 |GRAD(Rho)| 0.1408725E-15 GRAD(Rho)x -0.1082233E-15 GRAD(Rho)y -0.1260131E-16 GRAD(Rho)z 0.8929718E-16 Laplacian 0.1729884E+00 (-1/4)Del**2(Rho)) -0.4324709E-01 Diamond 0.7245453E-01 Metallicity 0.1957341E+01 Ellipticity 0.2709991E-01 Gb(Abramov) 0.4293961E-01 Vb(Abramov) -0.4263213E-01 Hb(Abramov) 0.3074799E-03 Ex_ueg -0.1050771E-01 Ec_ueg -0.1934271E-02 Delta_ex -0.1384861E-01 Delta_ec 0.5666167E-02 Delta_et -0.5682774E-01 Pxc 0.5432385E+01 Qxc -0.2444087E+01 3,-1 73 3 -1 -3.359801 -3.195559 0.058157 Rho 0.1955152E+00 |GRAD(Rho)| 0.2926576E-15 GRAD(Rho)x 0.2356513E-15 GRAD(Rho)y 0.1323811E-15 GRAD(Rho)z -0.1122149E-15 Laplacian 0.7490261E+00 (-1/4)Del**2(Rho)) -0.1872565E+00 Diamond 0.2080128E+01 Metallicity 0.6059224E+01 Ellipticity 0.1884171E-02 Gb(Abramov) 0.3139425E+00 Vb(Abramov) -0.4406286E+00 Hb(Abramov) -0.1266860E+00 Ex_ueg -0.8380932E-01 Ec_ueg -0.1141845E-01 Delta_ex -0.8590344E-01 Delta_ec 0.1766039E-01 Delta_et -0.2420596E+00 Pxc 0.7339815E+01 Qxc -0.4864188E+01 3,-1 74 3 -1 -0.297624 -1.215920 -3.494846 Rho 0.4200430E-02 |GRAD(Rho)| 0.5576581E-12 GRAD(Rho)x 0.5430645E-12 GRAD(Rho)y -0.8392186E-13 GRAD(Rho)z -0.9497681E-13 Laplacian 0.1507539E-01 (-1/4)Del**2(Rho)) -0.3768848E-02 Diamond 0.4067646E-03 Metallicity 0.4998437E+00 Ellipticity 0.1641933E+00 Gb(Abramov) 0.2826538E-02 Vb(Abramov) -0.1884228E-02 Hb(Abramov) 0.9423101E-03 Ex_ueg -0.5005454E-03 Ec_ueg -0.1126680E-03 Delta_ex -0.8757066E-03 Delta_ec 0.7436453E-03 Delta_et -0.3721935E-02 Pxc 0.4442657E+01 Qxc -0.1177586E+01 3,-1 75 3 +1 -1.850400 -1.782680 1.847198 Rho 0.1117175E-01 |GRAD(Rho)| 0.1346108E-16 GRAD(Rho)x 0.1636492E-17 GRAD(Rho)y 0.1071756E-16 GRAD(Rho)z 0.7978499E-17 Laplacian 0.5002037E-01 (-1/4)Del**2(Rho)) -0.1250509E-01 Diamond 0.1662923E-02 Metallicity 0.7691334E+00 Ellipticity -0.1245773E+01 Gb(Abramov) 0.9939742E-02 Vb(Abramov) -0.7374392E-02 Hb(Abramov) 0.2565350E-02 Ex_ueg -0.1844506E-02 Ec_ueg -0.4214704E-03 Delta_ex -0.2363867E-02 Delta_ec 0.5617188E-03 Delta_et -0.4208408E-02 Pxc 0.4376359E+01 Qxc -0.4208275E+01 3,+1 76 3 -1 -2.882831 -1.801618 0.591821 Rho 0.1285211E+00 |GRAD(Rho)| 0.8778530E-14 GRAD(Rho)x 0.7809495E-14 GRAD(Rho)y 0.3097701E-14 GRAD(Rho)z 0.2545314E-14 Laplacian 0.5436123E+00 (-1/4)Del**2(Rho)) -0.1359031E+00 Diamond 0.9359373E+00 Metallicity 0.4149042E+01 Ellipticity 0.1375537E-01 Gb(Abramov) 0.1845800E+00 Vb(Abramov) -0.2332569E+00 Hb(Abramov) -0.4867689E-01 Ex_ueg -0.4790169E-01 Ec_ueg -0.7083084E-02 Delta_ex -0.5648146E-01 Delta_ec 0.1477906E-01 Delta_et -0.1930143E+00 Pxc 0.6762829E+01 Qxc -0.3821724E+01 3,-1 77 3 -1 -2.805299 1.788528 -0.518328 Rho 0.1754835E+00 |GRAD(Rho)| 0.2888259E-15 GRAD(Rho)x 0.6024776E-16 GRAD(Rho)y 0.2795073E-15 GRAD(Rho)z 0.4082021E-16 Laplacian 0.7233303E+00 (-1/4)Del**2(Rho)) -0.1808326E+00 Diamond 0.1740988E+01 Metallicity 0.5240068E+01 Ellipticity 0.1995550E-01 Gb(Abramov) 0.2784842E+00 Vb(Abramov) -0.3761359E+00 Hb(Abramov) -0.9765165E-01 Ex_ueg -0.7256047E-01 Ec_ueg -0.1009432E-01 Delta_ex -0.8053287E-01 Delta_ec 0.1721844E-01 Delta_et -0.2325531E+00 Pxc 0.7188246E+01 Qxc -0.4677128E+01 3,-1 78 3 -1 -3.084844 2.025457 0.884775 Rho 0.1608636E+00 |GRAD(Rho)| 0.2902120E-14 GRAD(Rho)x 0.1371841E-14 GRAD(Rho)y 0.1093323E-14 GRAD(Rho)z -0.2311926E-14 Laplacian 0.6182407E+00 (-1/4)Del**2(Rho)) -0.1545602E+00 Diamond 0.1361547E+01 Metallicity 0.5303370E+01 Ellipticity 0.3943855E-01 Gb(Abramov) 0.2396551E+00 Vb(Abramov) -0.3247500E+00 Hb(Abramov) -0.8509491E-01 Ex_ueg -0.6461433E-01 Ec_ueg -0.9142530E-02 Delta_ex -0.6753988E-01 Delta_ec 0.1539589E-01 Delta_et -0.2068198E+00 Pxc 0.7067445E+01 Qxc -0.4386878E+01 3,-1 79 3 +1 -2.058951 2.058272 2.054996 Rho 0.1150722E-01 |GRAD(Rho)| 0.8690805E-17 GRAD(Rho)x 0.8810446E-18 GRAD(Rho)y -0.7750119E-17 GRAD(Rho)z 0.3832689E-17 Laplacian 0.4918046E-01 (-1/4)Del**2(Rho)) -0.1229512E-01 Diamond 0.1350470E-02 Metallicity 0.8218096E+00 Ellipticity -0.1102756E+01 Gb(Abramov) 0.9880785E-02 Vb(Abramov) -0.7466453E-02 Hb(Abramov) 0.2414331E-02 Ex_ueg -0.1918723E-02 Ec_ueg -0.4368686E-03 Delta_ex -0.2235004E-02 Delta_ec 0.3600428E-03 Delta_et -0.2890662E-02 Pxc 0.4391991E+01 Qxc -0.6207605E+01 3,+1 80 3 +1 0.044664 -0.056498 3.086771 Rho 0.4475953E-02 |GRAD(Rho)| 0.4551791E-17 GRAD(Rho)x -0.2186907E-17 GRAD(Rho)y -0.3989367E-17 GRAD(Rho)z -0.1455724E-18 Laplacian 0.1675447E-01 (-1/4)Del**2(Rho)) -0.4188617E-02 Diamond 0.3427638E-03 Metallicity 0.4999866E+00 Ellipticity -0.5262095E+01 Gb(Abramov) 0.3141453E-02 Vb(Abramov) -0.2094290E-02 Hb(Abramov) 0.1047164E-02 Ex_ueg -0.5447941E-03 Ec_ueg -0.1244311E-03 Delta_ex -0.8220829E-03 Delta_ec 0.5392357E-03 Delta_et -0.2827862E-02 Pxc 0.4378280E+01 Qxc -0.1524534E+01 3,+1 81 3 +1 -0.213825 -2.323155 -1.188796 Rho 0.7028685E-02 |GRAD(Rho)| 0.3256623E-17 GRAD(Rho)x -0.1554457E-17 GRAD(Rho)y 0.2834707E-17 GRAD(Rho)z -0.3920372E-18 Laplacian 0.2713508E-01 (-1/4)Del**2(Rho)) -0.6783769E-02 Diamond 0.7419762E-03 Metallicity 0.6549461E+00 Ellipticity -0.1838519E+01 Gb(Abramov) 0.5263013E-02 Vb(Abramov) -0.3742257E-02 Hb(Abramov) 0.1520756E-02 Ex_ueg -0.9943757E-03 Ec_ueg -0.2352336E-03 Delta_ex -0.1290608E-02 Delta_ec 0.5820456E-03 Delta_et -0.3604392E-02 Pxc 0.4227185E+01 Qxc -0.2217366E+01 3,+1 82 3 -1 -1.819320 0.489958 -2.820091 Rho 0.1336698E+00 |GRAD(Rho)| 0.3451923E-15 GRAD(Rho)x 0.2782469E-15 GRAD(Rho)y -0.2031117E-15 GRAD(Rho)z 0.2195509E-16 Laplacian 0.5518848E+00 (-1/4)Del**2(Rho)) -0.1379712E+00 Diamond 0.9793522E+00 Metallicity 0.4363354E+01 Ellipticity 0.1591993E-01 Gb(Abramov) 0.1923170E+00 Vb(Abramov) -0.2466628E+00 Hb(Abramov) -0.5434580E-01 Ex_ueg -0.5047732E-01 Ec_ueg -0.7406494E-02 Delta_ex -0.5768881E-01 Delta_ec 0.1451814E-01 Delta_et -0.1902049E+00 Pxc 0.6815279E+01 Qxc -0.3973567E+01 3,-1 83 3 -1 -2.224861 -0.818836 -3.328634 Rho 0.2172455E+00 |GRAD(Rho)| 0.4200806E-11 GRAD(Rho)x 0.1492120E-11 GRAD(Rho)y -0.2676749E-11 GRAD(Rho)z -0.2873215E-11 Laplacian 0.8455035E+00 (-1/4)Del**2(Rho)) -0.2113759E+00 Diamond 0.2624318E+01 Metallicity 0.6398561E+01 Ellipticity 0.3211852E-02 Gb(Abramov) 0.3663341E+00 Vb(Abramov) -0.5212924E+00 Hb(Abramov) -0.1549583E+00 Ex_ueg -0.9645380E-01 Ec_ueg -0.1288036E-01 Delta_ex -0.9937367E-01 Delta_ec 0.1891831E-01 Delta_et -0.2596358E+00 Pxc 0.7488441E+01 Qxc -0.5252778E+01 3,-1 84 3 +3 -1.152578 -1.138956 1.206907 Rho 0.4814003E-02 |GRAD(Rho)| 0.5407705E-13 GRAD(Rho)x -0.1344614E-13 GRAD(Rho)y 0.3736571E-13 GRAD(Rho)z -0.3670603E-13 Laplacian 0.1715277E-01 (-1/4)Del**2(Rho)) -0.4288192E-02 Diamond 0.1078802E-03 Metallicity 0.5513866E+00 Ellipticity -0.1440295E+00 Gb(Abramov) 0.3252870E-02 Vb(Abramov) -0.2217548E-02 Hb(Abramov) 0.1035322E-02 Ex_ueg -0.6003348E-03 Ec_ueg -0.1389174E-03 Delta_ex -0.5807120E-03 Delta_ec 0.6536874E-04 Delta_et -0.5437000E-03 Pxc 0.4321524E+01 Qxc -0.8883633E+01 3,+3 85 3 -1 -1.854905 -0.604097 2.916389 Rho 0.1363490E+00 |GRAD(Rho)| 0.3681468E-15 GRAD(Rho)x -0.2476047E-15 GRAD(Rho)y 0.2657922E-15 GRAD(Rho)z -0.5982085E-16 Laplacian 0.5709053E+00 (-1/4)Del**2(Rho)) -0.1427263E+00 Diamond 0.1053072E+01 Metallicity 0.4359822E+01 Ellipticity 0.1294381E-01 Gb(Abramov) 0.1988611E+00 Vb(Abramov) -0.2549959E+00 Hb(Abramov) -0.5613479E-01 Ex_ueg -0.5183075E-01 Ec_ueg -0.7575463E-02 Delta_ex -0.6013982E-01 Delta_ec 0.1526055E-01 Delta_et -0.2011831E+00 Pxc 0.6841925E+01 Qxc -0.3940868E+01 3,-1 86 3 -1 -2.035927 0.886440 3.090644 Rho 0.1243128E+00 |GRAD(Rho)| 0.2087930E-15 GRAD(Rho)x 0.4445229E-16 GRAD(Rho)y -0.1261334E-15 GRAD(Rho)z -0.1603399E-15 Laplacian 0.5032280E+00 (-1/4)Del**2(Rho)) -0.1258070E+00 Diamond 0.8294670E+00 Metallicity 0.4240087E+01 Ellipticity 0.1220030E-01 Gb(Abramov) 0.1727768E+00 Vb(Abramov) -0.2197465E+00 Hb(Abramov) -0.4696977E-01 Ex_ueg -0.4582188E-01 Ec_ueg -0.6820063E-02 Delta_ex -0.5183421E-01 Delta_ec 0.1372041E-01 Delta_et -0.1780463E+00 Pxc 0.6718688E+01 Qxc -0.3777891E+01 3,-1 87 3 +3 1.127030 1.086663 1.114188 Rho 0.4126321E-02 |GRAD(Rho)| 0.1089926E-13 GRAD(Rho)x 0.1592732E-14 GRAD(Rho)y -0.1074940E-13 GRAD(Rho)z 0.8411815E-15 Laplacian 0.1488178E-01 (-1/4)Del**2(Rho)) -0.3720445E-02 Diamond 0.8161160E-04 Metallicity 0.4915451E+00 Ellipticity -0.6476087E-01 Gb(Abramov) 0.2785091E-02 Vb(Abramov) -0.1849737E-02 Hb(Abramov) 0.9353538E-03 Ex_ueg -0.4888052E-03 Ec_ueg -0.1095108E-03 Delta_ex -0.4896532E-03 Delta_ec 0.6916938E-04 Delta_et -0.5187468E-03 Pxc 0.4463534E+01 Qxc -0.7079045E+01 3,+3 88 3 +1 0.054375 -3.040600 0.032765 Rho 0.3767787E-02 |GRAD(Rho)| 0.2384453E-11 GRAD(Rho)x -0.3780219E-12 GRAD(Rho)y 0.2180787E-12 GRAD(Rho)z 0.2344175E-11 Laplacian 0.1419887E-01 (-1/4)Del**2(Rho)) -0.3549718E-02 Diamond 0.1937882E-03 Metallicity 0.4427615E+00 Ellipticity -0.1747504E+01 Gb(Abramov) 0.2628425E-02 Vb(Abramov) -0.1707132E-02 Hb(Abramov) 0.9212929E-03 Ex_ueg -0.4330122E-03 Ec_ueg -0.9427723E-04 Delta_ex -0.6250349E-03 Delta_ec 0.3681906E-03 Delta_et -0.1868832E-02 Pxc 0.4592967E+01 Qxc -0.1697585E+01 3,+1 89 3 -1 -2.066243 -3.161611 -0.777844 Rho 0.1126491E+00 |GRAD(Rho)| 0.1690785E-15 GRAD(Rho)x 0.1429385E-15 GRAD(Rho)y -0.8747479E-16 GRAD(Rho)z 0.2245654E-16 Laplacian 0.4393224E+00 (-1/4)Del**2(Rho)) -0.1098306E+00 Diamond 0.6574646E+00 Metallicity 0.4121379E+01 Ellipticity 0.8764566E-01 Gb(Abramov) 0.1486626E+00 Vb(Abramov) -0.1874947E+00 Hb(Abramov) -0.3883205E-01 Ex_ueg -0.4018110E-01 Ec_ueg -0.6097461E-02 Delta_ex -0.4441707E-01 Delta_ec 0.1262368E-01 Delta_et -0.1614558E+00 Pxc 0.6589809E+01 Qxc -0.3518551E+01 3,-1 90 3 -1 -1.903010 -2.839483 0.618571 Rho 0.1311900E+00 |GRAD(Rho)| 0.3593825E-13 GRAD(Rho)x -0.2232906E-13 GRAD(Rho)y 0.2750388E-13 GRAD(Rho)z 0.6042123E-14 Laplacian 0.5468369E+00 (-1/4)Del**2(Rho)) -0.1367092E+00 Diamond 0.9687389E+00 Metallicity 0.4268315E+01 Ellipticity 0.2772220E-01 Gb(Abramov) 0.1883925E+00 Vb(Abramov) -0.2400758E+00 Hb(Abramov) -0.5168327E-01 Ex_ueg -0.4923258E-01 Ec_ueg -0.7250508E-02 Delta_ex -0.5714088E-01 Delta_ec 0.1487380E-01 Delta_et -0.1950719E+00 Pxc 0.6790225E+01 Qxc -0.3841714E+01 3,-1 91 3 -1 -0.535046 1.747012 1.755872 Rho 0.4001242E-01 |GRAD(Rho)| 0.3053218E-13 GRAD(Rho)x -0.1572720E-13 GRAD(Rho)y -0.1454035E-13 GRAD(Rho)z -0.2175885E-13 Laplacian 0.1692509E+00 (-1/4)Del**2(Rho)) -0.4231271E-01 Diamond 0.6837284E-01 Metallicity 0.1905784E+01 Ellipticity 0.1700595E-01 Gb(Abramov) 0.4164829E-01 Vb(Abramov) -0.4098387E-01 Hb(Abramov) 0.6644225E-03 Ex_ueg -0.1010752E-01 Ec_ueg -0.1870733E-02 Delta_ex -0.1346737E-01 Delta_ec 0.5568752E-02 Delta_et -0.5540797E-01 Pxc 0.5402977E+01 Qxc -0.2418382E+01 3,-1 92 3 +1 -1.763348 1.728925 -1.740010 Rho 0.1198221E-01 |GRAD(Rho)| 0.9385786E-14 GRAD(Rho)x -0.1052820E-14 GRAD(Rho)y 0.6249981E-14 GRAD(Rho)z 0.6922592E-14 Laplacian 0.5895737E-01 (-1/4)Del**2(Rho)) -0.1473934E-01 Diamond 0.2327987E-02 Metallicity 0.7333363E+00 Ellipticity -0.1263672E+01 Gb(Abramov) 0.1162771E-01 Vb(Abramov) -0.8516079E-02 Hb(Abramov) 0.3111631E-02 Ex_ueg -0.2025043E-02 Ec_ueg -0.4587477E-03 Delta_ex -0.2888298E-02 Delta_ec 0.7499421E-03 Delta_et -0.5633061E-02 Pxc 0.4414284E+01 Qxc -0.3851361E+01 3,+1 93 3 +3 -1.143737 1.120525 -1.115490 Rho 0.5381211E-02 |GRAD(Rho)| 0.3041598E-15 GRAD(Rho)x 0.6176208E-16 GRAD(Rho)y -0.7715599E-16 GRAD(Rho)z -0.2876553E-15 Laplacian 0.2133515E-01 (-1/4)Del**2(Rho)) -0.5333789E-02 Diamond 0.1644077E-03 Metallicity 0.5337248E+00 Ellipticity -0.2286284E+00 Gb(Abramov) 0.4030322E-02 Vb(Abramov) -0.2726855E-02 Hb(Abramov) 0.1303467E-02 Ex_ueg -0.6964528E-03 Ec_ueg -0.1633546E-03 Delta_ex -0.7520299E-03 Delta_ec 0.9342367E-04 Delta_et -0.7504729E-03 Pxc 0.4263443E+01 Qxc -0.8049672E+01 3,+3 94 3 +1 -0.577957 1.640059 -0.537053 Rho 0.8562204E-02 |GRAD(Rho)| 0.1051734E-14 GRAD(Rho)x 0.2791508E-15 GRAD(Rho)y 0.4440008E-15 GRAD(Rho)z -0.9116378E-15 Laplacian 0.3319801E-01 (-1/4)Del**2(Rho)) -0.8299503E-02 Diamond 0.8822654E-03 Metallicity 0.7438358E+00 Ellipticity -0.1447627E+01 Gb(Abramov) 0.6561913E-02 Vb(Abramov) -0.4824323E-02 Hb(Abramov) 0.1737590E-02 Ex_ueg -0.1293697E-02 Ec_ueg -0.3032894E-03 Delta_ex -0.1514545E-02 Delta_ec 0.4664709E-03 Delta_et -0.3185252E-02 Pxc 0.4265553E+01 Qxc -0.3246814E+01 3,+1 95 3 +3 -1.978109 1.970970 1.978522 Rho 0.1147616E-01 |GRAD(Rho)| 0.2776967E-15 GRAD(Rho)x -0.2501067E-15 GRAD(Rho)y -0.8552070E-16 GRAD(Rho)z -0.8513694E-16 Laplacian 0.4862453E-01 (-1/4)Del**2(Rho)) -0.1215613E-01 Diamond 0.1071934E-02 Metallicity 0.8274692E+00 Ellipticity -0.8540688E+00 Gb(Abramov) 0.9780558E-02 Vb(Abramov) -0.7404985E-02 Hb(Abramov) 0.2375573E-02 Ex_ueg -0.1911820E-02 Ec_ueg -0.4354408E-03 Delta_ex -0.2128846E-02 Delta_ec 0.2145430E-03 Delta_et -0.1918775E-02 Pxc 0.4390539E+01 Qxc -0.9922702E+01 3,+3 96 3 -1 -1.825522 -1.746977 -0.531672 Rho 0.4850548E-01 |GRAD(Rho)| 0.1658765E-13 GRAD(Rho)x 0.8137827E-15 GRAD(Rho)y -0.1568331E-13 GRAD(Rho)z -0.5340581E-14 Laplacian 0.2031497E+00 (-1/4)Del**2(Rho)) -0.5078743E-01 Diamond 0.1067005E+00 Metallicity 0.2188341E+01 Ellipticity 0.1723988E-01 Gb(Abramov) 0.5238165E-01 Vb(Abramov) -0.5397588E-01 Hb(Abramov) -0.1594225E-02 Ex_ueg -0.1306490E-01 Ec_ueg -0.2332430E-02 Delta_ex -0.1694828E-01 Delta_ec 0.6685868E-02 Delta_et -0.7010694E-01 Pxc 0.5601411E+01 Qxc -0.2534941E+01 3,-1 97 3 -1 -1.805151 -0.591608 -1.808833 Rho 0.5112648E-01 |GRAD(Rho)| 0.1207339E-15 GRAD(Rho)x 0.6968964E-16 GRAD(Rho)y -0.5410974E-16 GRAD(Rho)z 0.8241461E-16 Laplacian 0.2010389E+00 (-1/4)Del**2(Rho)) -0.5025972E-01 Diamond 0.1060692E+00 Metallicity 0.2414031E+01 Ellipticity 0.3249725E-01 Gb(Abramov) 0.5372790E-01 Vb(Abramov) -0.5719609E-01 Hb(Abramov) -0.3468182E-02 Ex_ueg -0.1401456E-01 Ec_ueg -0.2477235E-02 Delta_ex -0.1668398E-01 Delta_ec 0.6065589E-02 Delta_et -0.6435615E-01 Pxc 0.5657340E+01 Qxc -0.2750596E+01 3,-1 98 3 +1 -0.587627 0.496746 -1.653451 Rho 0.9429385E-02 |GRAD(Rho)| 0.5438530E-17 GRAD(Rho)x -0.2142173E-17 GRAD(Rho)y -0.4804867E-17 GRAD(Rho)z -0.1379115E-17 Laplacian 0.3724407E-01 (-1/4)Del**2(Rho)) -0.9311018E-02 Diamond 0.1175089E-02 Metallicity 0.7786847E+00 Ellipticity -0.1519322E+01 Gb(Abramov) 0.7415736E-02 Vb(Abramov) -0.5520455E-02 Hb(Abramov) 0.1895281E-02 Ex_ueg -0.1471283E-02 Ec_ueg -0.3422402E-03 Delta_ex -0.1759698E-02 Delta_ec 0.5561374E-03 Delta_et -0.3866693E-02 Pxc 0.4298978E+01 Qxc -0.3164142E+01 3,+1 99 3 +1 -0.337626 -0.586183 -3.188695 Rho 0.3368274E-02 |GRAD(Rho)| 0.6047871E-17 GRAD(Rho)x -0.4815781E-17 GRAD(Rho)y 0.3555325E-17 GRAD(Rho)z 0.8629354E-18 Laplacian 0.1300841E-01 (-1/4)Del**2(Rho)) -0.3252103E-02 Diamond 0.1404919E-03 Metallicity 0.4009294E+00 Ellipticity -0.1441062E+01 Gb(Abramov) 0.2385379E-02 Vb(Abramov) -0.1518656E-02 Hb(Abramov) 0.8667237E-03 Ex_ueg -0.3729022E-03 Ec_ueg -0.7738330E-04 Delta_ex -0.5409450E-03 Delta_ec 0.3029663E-03 Delta_et -0.1504803E-02 Pxc 0.4818897E+01 Qxc -0.1785496E+01 3,+1 100 3 +1 -0.404289 -0.967698 -2.799247 Rho 0.3243877E-02 |GRAD(Rho)| 0.9418566E-17 GRAD(Rho)x -0.2054648E-17 GRAD(Rho)y 0.8005042E-17 GRAD(Rho)z -0.4517423E-17 Laplacian 0.1259974E-01 (-1/4)Del**2(Rho)) -0.3149935E-02 Diamond 0.1100581E-03 Metallicity 0.3887696E+00 Ellipticity -0.1190185E+01 Gb(Abramov) 0.2304057E-02 Vb(Abramov) -0.1458178E-02 Hb(Abramov) 0.8458785E-03 Ex_ueg -0.3546535E-03 Ec_ueg -0.7214060E-04 Delta_ex -0.4880774E-03 Delta_ec 0.2364403E-03 Delta_et -0.1193455E-02 Pxc 0.4916144E+01 Qxc -0.2064274E+01 3,+1 101 3 +1 0.521192 1.700830 0.519163 Rho 0.7180823E-02 |GRAD(Rho)| 0.9460761E-17 GRAD(Rho)x -0.8317480E-17 GRAD(Rho)y -0.3397436E-17 GRAD(Rho)z 0.2963606E-17 Laplacian 0.2692384E-01 (-1/4)Del**2(Rho)) -0.6730960E-02 Diamond 0.5563714E-03 Metallicity 0.6840688E+00 Ellipticity -0.1404248E+01 Gb(Abramov) 0.5254714E-02 Vb(Abramov) -0.3778467E-02 Hb(Abramov) 0.1476247E-02 Ex_ueg -0.1023177E-02 Ec_ueg -0.2419369E-03 Delta_ex -0.1171351E-02 Delta_ec 0.3713835E-03 Delta_et -0.2429085E-02 Pxc 0.4229106E+01 Qxc -0.3154021E+01 3,+1 102 3 -1 -0.854113 -3.490855 -1.378804 Rho 0.3210985E+00 |GRAD(Rho)| 0.2234495E-11 GRAD(Rho)x -0.3834460E-12 GRAD(Rho)y -0.1973497E-11 GRAD(Rho)z -0.9753199E-12 Laplacian -0.1603583E+01 (-1/4)Del**2(Rho)) 0.4008957E+00 Diamond 0.5580136E+01 Metallicity -0.6470218E+01 Ellipticity 0.1043444E-02 Gb(Abramov) 0.1650500E+00 Vb(Abramov) -0.7309956E+00 Hb(Abramov) -0.5659456E+00 Ex_ueg -0.1623938E+00 Ec_ueg -0.2022581E-01 Delta_ex 0.1600749E+00 Delta_ec 0.5564299E-01 Delta_et -0.1323816E+01 Pxc 0.8029037E+01 Qxc 0.2876820E+01 3,-1 103 3 +1 0.403451 -0.788786 -1.820518 Rho 0.5725981E-02 |GRAD(Rho)| 0.5640490E-17 GRAD(Rho)x -0.4617128E-17 GRAD(Rho)y 0.1908371E-17 GRAD(Rho)z 0.2618277E-17 Laplacian 0.2196884E-01 (-1/4)Del**2(Rho)) -0.5492209E-02 Diamond 0.5045719E-03 Metallicity 0.5748518E+00 Ellipticity -0.2058556E+01 Gb(Abramov) 0.4187674E-02 Vb(Abramov) -0.2883138E-02 Hb(Abramov) 0.1304535E-02 Ex_ueg -0.7565743E-03 Ec_ueg -0.1782873E-03 Delta_ex -0.1036100E-02 Delta_ec 0.5392793E-03 Delta_et -0.3110857E-02 Pxc 0.4243569E+01 Qxc -0.1921269E+01 3,+1 104 3 +3 0.003860 -0.025594 2.408166 Rho 0.3718713E-02 |GRAD(Rho)| 0.2294083E-17 GRAD(Rho)x 0.1705393E-18 GRAD(Rho)y 0.2287734E-17 GRAD(Rho)z 0.2431662E-20 Laplacian 0.1441963E-01 (-1/4)Del**2(Rho)) -0.3604907E-02 Diamond 0.9018694E-04 Metallicity 0.4265601E+00 Ellipticity -0.1833791E+00 Gb(Abramov) 0.2659556E-02 Vb(Abramov) -0.1714205E-02 Hb(Abramov) 0.9453507E-03 Ex_ueg -0.4255088E-03 Ec_ueg -0.9219747E-04 Delta_ex -0.4909321E-03 Delta_ec 0.1200662E-03 Delta_et -0.7344617E-03 Pxc 0.4615190E+01 Qxc -0.4088844E+01 3,+3 105 3 +1 -1.139597 1.374295 2.219685 Rho 0.2471284E-01 |GRAD(Rho)| 0.3563323E-16 GRAD(Rho)x 0.6433741E-17 GRAD(Rho)y 0.1673293E-16 GRAD(Rho)z 0.3079518E-16 Laplacian 0.9169356E-01 (-1/4)Del**2(Rho)) -0.2292339E-01 Diamond 0.1218704E-01 Metallicity 0.1575718E+01 Ellipticity -0.6564163E+01 Gb(Abramov) 0.2130239E-01 Vb(Abramov) -0.1968140E-01 Hb(Abramov) 0.1620995E-02 Ex_ueg -0.5316370E-02 Ec_ueg -0.1074267E-02 Delta_ex -0.5727604E-02 Delta_ec 0.1631538E-02 Delta_et -0.1434308E-01 Pxc 0.4948836E+01 Qxc -0.3510555E+01 3,+1 106 3 +3 -0.055656 -2.480120 -0.089193 Rho 0.3385475E-02 |GRAD(Rho)| 0.3955981E-17 GRAD(Rho)x 0.2773207E-17 GRAD(Rho)y 0.2608458E-17 GRAD(Rho)z 0.1074733E-17 Laplacian 0.1299899E-01 (-1/4)Del**2(Rho)) -0.3249746E-02 Diamond 0.7909097E-04 Metallicity 0.4046408E+00 Ellipticity -0.2150187E+00 Gb(Abramov) 0.2385661E-02 Vb(Abramov) -0.1521575E-02 Hb(Abramov) 0.8640855E-03 Ex_ueg -0.3754434E-03 Ec_ueg -0.7810888E-04 Delta_ex -0.4438684E-03 Delta_ec 0.1291344E-03 Delta_et -0.7396587E-03 Pxc 0.4806667E+01 Qxc -0.3437259E+01 3,+3 107 3 -1 -0.631881 -2.863166 1.873146 Rho 0.1254894E+00 |GRAD(Rho)| 0.5219623E-13 GRAD(Rho)x 0.1082062E-13 GRAD(Rho)y -0.3861748E-13 GRAD(Rho)z -0.3340735E-13 Laplacian 0.5338513E+00 (-1/4)Del**2(Rho)) -0.1334628E+00 Diamond 0.8945993E+00 Metallicity 0.4060109E+01 Ellipticity 0.6348633E-02 Gb(Abramov) 0.1792875E+00 Vb(Abramov) -0.2251121E+00 Hb(Abramov) -0.4582466E-01 Ex_ueg -0.4640103E-01 Ec_ueg -0.6893479E-02 Delta_ex -0.5517071E-01 Delta_ec 0.1462798E-01 Delta_et -0.1903140E+00 Pxc 0.6731148E+01 Qxc -0.3771587E+01 3,-1 108 3 -1 0.099762 -1.998655 -1.169238 Rho 0.7547311E-02 |GRAD(Rho)| 0.3480348E-15 GRAD(Rho)x -0.5263093E-16 GRAD(Rho)y -0.3400195E-15 GRAD(Rho)z -0.5239276E-16 Laplacian 0.2923923E-01 (-1/4)Del**2(Rho)) -0.7309808E-02 Diamond 0.1353926E-02 Metallicity 0.6843858E+00 Ellipticity 0.3762381E+00 Gb(Abramov) 0.5706993E-02 Vb(Abramov) -0.4104179E-02 Hb(Abramov) 0.1602815E-02 Ex_ueg -0.1093389E-02 Ec_ueg -0.2581290E-03 Delta_ex -0.1667384E-02 Delta_ec 0.1080608E-02 Delta_et -0.6577380E-02 Pxc 0.4235825E+01 Qxc -0.1543006E+01 3,-1 109 3 +1 2.171546 -1.071560 1.404213 Rho 0.2246746E-01 |GRAD(Rho)| 0.3833171E-11 GRAD(Rho)x 0.1127082E-11 GRAD(Rho)y 0.2231266E-11 GRAD(Rho)z 0.2905914E-11 Laplacian 0.8115052E-01 (-1/4)Del**2(Rho)) -0.2028763E-01 Diamond 0.8663101E-02 Metallicity 0.1519073E+01 Ellipticity -0.3286778E+01 Gb(Abramov) 0.1866148E-01 Vb(Abramov) -0.1703534E-01 Hb(Abramov) 0.1626145E-02 Ex_ueg -0.4682277E-02 Ec_ueg -0.9620701E-03 Delta_ex -0.4843075E-02 Delta_ec 0.1265305E-02 Delta_et -0.1091262E-01 Pxc 0.4866877E+01 Qxc -0.3827595E+01 3,+1 110 3 -1 -0.878556 2.058303 3.062486 Rho 0.1208031E+00 |GRAD(Rho)| 0.1243354E-13 GRAD(Rho)x -0.1187844E-13 GRAD(Rho)y 0.3666745E-14 GRAD(Rho)z 0.2248703E-15 Laplacian 0.4912945E+00 (-1/4)Del**2(Rho)) -0.1228236E+00 Diamond 0.7842067E+00 Metallicity 0.4140648E+01 Ellipticity 0.9818656E-02 Gb(Abramov) 0.1666440E+00 Vb(Abramov) -0.2104643E+00 Hb(Abramov) -0.4382036E-01 Ex_ueg -0.4410516E-01 Ec_ueg -0.6601628E-02 Delta_ex -0.5028582E-01 Delta_ec 0.1352752E-01 Delta_et -0.1747290E+00 Pxc 0.6680952E+01 Qxc -0.3717297E+01 3,-1 111 3 +1 -2.239652 1.055867 1.466707 Rho 0.2389133E-01 |GRAD(Rho)| 0.3809712E-16 GRAD(Rho)x 0.3652903E-16 GRAD(Rho)y -0.7558578E-17 GRAD(Rho)z -0.7738764E-17 Laplacian 0.8839045E-01 (-1/4)Del**2(Rho)) -0.2209761E-01 Diamond 0.9201232E-02 Metallicity 0.1545047E+01 Ellipticity -0.2300167E+01 Gb(Abramov) 0.2042205E-01 Vb(Abramov) -0.1874649E-01 Hb(Abramov) 0.1675561E-02 Ex_ueg -0.5082050E-02 Ec_ueg -0.1033058E-02 Delta_ex -0.5239827E-02 Delta_ec 0.1158054E-02 Delta_et -0.1019914E-01 Pxc 0.4919423E+01 Qxc -0.4524682E+01 3,+1 112 3 +3 0.007969 2.294257 0.025043 Rho 0.4336008E-02 |GRAD(Rho)| 0.5573321E-17 GRAD(Rho)x -0.6015660E-18 GRAD(Rho)y -0.5052947E-17 GRAD(Rho)z -0.2273269E-17 Laplacian 0.1746490E-01 (-1/4)Del**2(Rho)) -0.4366226E-02 Diamond 0.1291560E-03 Metallicity 0.4549152E+00 Ellipticity -0.2876093E+00 Gb(Abramov) 0.3241861E-02 Vb(Abramov) -0.2117496E-02 Hb(Abramov) 0.1124365E-02 Ex_ueg -0.5222019E-03 Ec_ueg -0.1184514E-03 Delta_ex -0.6124360E-03 Delta_ec 0.1346528E-03 Delta_et -0.8707291E-03 Pxc 0.4408576E+01 Qxc -0.4548261E+01 3,+3 113 3 +1 -1.055143 2.199036 1.427676 Rho 0.2498454E-01 |GRAD(Rho)| 0.4862244E-16 GRAD(Rho)x 0.1566252E-16 GRAD(Rho)y -0.4091058E-16 GRAD(Rho)z -0.2109862E-16 Laplacian 0.9443087E-01 (-1/4)Del**2(Rho)) -0.2360772E-01 Diamond 0.1092456E-01 Metallicity 0.1558182E+01 Ellipticity -0.2536829E+01 Gb(Abramov) 0.2186933E-01 Vb(Abramov) -0.2013095E-01 Hb(Abramov) 0.1738386E-02 Ex_ueg -0.5394447E-02 Ec_ueg -0.1087936E-02 Delta_ex -0.5718267E-02 Delta_ec 0.1327732E-02 Delta_et -0.1178219E-01 Pxc 0.4958423E+01 Qxc -0.4306794E+01 3,+1 114 3 -1 -0.566539 2.764368 -1.795720 Rho 0.1479315E+00 |GRAD(Rho)| 0.6480487E-15 GRAD(Rho)x 0.5322755E-15 GRAD(Rho)y -0.1517883E-17 GRAD(Rho)z -0.3696587E-15 Laplacian 0.6118061E+00 (-1/4)Del**2(Rho)) -0.1529515E+00 Diamond 0.1207796E+01 Metallicity 0.4660516E+01 Ellipticity 0.1902707E-01 Gb(Abramov) 0.2207732E+00 Vb(Abramov) -0.2885948E+00 Hb(Abramov) -0.6782166E-01 Ex_ueg -0.5778291E-01 Ec_ueg -0.8311234E-02 Delta_ex -0.6536160E-01 Delta_ec 0.1536769E-01 Delta_et -0.2037042E+00 Pxc 0.6952386E+01 Qxc -0.4253184E+01 3,-1 115 3 -1 -0.874374 3.054123 1.983473 Rho 0.1075755E+00 |GRAD(Rho)| 0.1648929E-15 GRAD(Rho)x 0.1242767E-15 GRAD(Rho)y -0.1110630E-16 GRAD(Rho)z -0.1078036E-15 Laplacian 0.4388905E+00 (-1/4)Del**2(Rho)) -0.1097226E+00 Diamond 0.6144630E+00 Metallicity 0.3820436E+01 Ellipticity 0.1033453E-01 Gb(Abramov) 0.1430131E+00 Vb(Abramov) -0.1763036E+00 Hb(Abramov) -0.3329050E-01 Ex_ueg -0.3778648E-01 Ec_ueg -0.5786193E-02 Delta_ex -0.4379325E-01 Delta_ec 0.1254976E-01 Delta_et -0.1588199E+00 Pxc 0.6530457E+01 Qxc -0.3489570E+01 3,-1 116 3 -1 0.515867 1.697117 -1.731590 Rho 0.5139860E-01 |GRAD(Rho)| 0.2126620E-12 GRAD(Rho)x 0.6624548E-13 GRAD(Rho)y 0.3142049E-13 GRAD(Rho)z -0.1996232E-12 Laplacian 0.2033279E+00 (-1/4)Del**2(Rho)) -0.5083197E-01 Diamond 0.1065144E+00 Metallicity 0.2408066E+01 Ellipticity 0.1275928E-01 Gb(Abramov) 0.5428910E-01 Vb(Abramov) -0.5774624E-01 Hb(Abramov) -0.3457136E-02 Ex_ueg -0.1411411E-01 Ec_ueg -0.2492328E-02 Delta_ex -0.1683255E-01 Delta_ec 0.6020232E-02 Delta_et -0.6392869E-01 Pxc 0.5663022E+01 Qxc -0.2795996E+01 3,-1 117 3 +1 -0.168364 3.024375 0.165472 Rho 0.5456400E-02 |GRAD(Rho)| 0.2678136E-14 GRAD(Rho)x -0.1853556E-14 GRAD(Rho)y 0.3202228E-15 GRAD(Rho)z 0.1906358E-14 Laplacian 0.2156633E-01 (-1/4)Del**2(Rho)) -0.5391582E-02 Diamond 0.5182692E-03 Metallicity 0.5403569E+00 Ellipticity -0.2565067E+01 Gb(Abramov) 0.4079951E-02 Vb(Abramov) -0.2768320E-02 Hb(Abramov) 0.1311631E-02 Ex_ueg -0.7094580E-03 Ec_ueg -0.1666061E-03 Delta_ex -0.1051474E-02 Delta_ec 0.6092503E-03 Delta_et -0.3424549E-02 Pxc 0.4258295E+01 Qxc -0.1725850E+01 3,+1 118 3 -1 0.231632 -1.051089 -1.966947 Rho 0.5895337E-02 |GRAD(Rho)| 0.8349214E-14 GRAD(Rho)x 0.7240587E-14 GRAD(Rho)y 0.1654577E-14 GRAD(Rho)z -0.3813876E-14 Laplacian 0.2250324E-01 (-1/4)Del**2(Rho)) -0.5625809E-02 Diamond 0.7531326E-03 Metallicity 0.5891364E+00 Ellipticity 0.3338151E+00 Gb(Abramov) 0.4302934E-02 Vb(Abramov) -0.2980059E-02 Hb(Abramov) 0.1322875E-02 Ex_ueg -0.7865565E-03 Ec_ueg -0.1856440E-03 Delta_ex -0.1228630E-02 Delta_ec 0.8393123E-03 Delta_et -0.4737229E-02 Pxc 0.4236908E+01 Qxc -0.1463853E+01 3,-1 119 3 -1 -0.582012 -0.513327 -0.517851 Rho 0.1840160E+00 |GRAD(Rho)| 0.3754224E-15 GRAD(Rho)x 0.2706169E-15 GRAD(Rho)y 0.1561251E-15 GRAD(Rho)z 0.2081668E-15 Laplacian 0.4788459E+00 (-1/4)Del**2(Rho)) -0.1197115E+00 Diamond 0.1248822E+01 Metallicity 0.8567290E+01 Ellipticity 0.2520863E-01 Gb(Abramov) 0.2507415E+00 Vb(Abramov) -0.3817715E+00 Hb(Abramov) -0.1310300E+00 Ex_ueg -0.7730233E-01 Ec_ueg -0.1065555E-01 Delta_ex -0.5417380E-01 Delta_ec 0.1164350E-01 Delta_et -0.1592136E+00 Pxc 0.7254657E+01 Qxc -0.4652708E+01 3,-1 120 3 +3 -0.378717 -0.756019 -2.823763 Rho 0.3225300E-02 |GRAD(Rho)| 0.6518341E-15 GRAD(Rho)x 0.6365374E-15 GRAD(Rho)y 0.1062347E-15 GRAD(Rho)z -0.9177138E-16 Laplacian 0.1263253E-01 (-1/4)Del**2(Rho)) -0.3158133E-02 Diamond 0.1014399E-03 Metallicity 0.3840663E+00 Ellipticity -0.6589070E+00 Gb(Abramov) 0.2307578E-02 Vb(Abramov) -0.1457022E-02 Hb(Abramov) 0.8505557E-03 Ex_ueg -0.3519480E-03 Ec_ueg -0.7135837E-04 Delta_ex -0.4753278E-03 Delta_ec 0.2130937E-03 Delta_et -0.1090531E-02 Pxc 0.4932120E+01 Qxc -0.2230605E+01 3,+3 121 3 +1 1.070294 -2.248918 1.346911 Rho 0.2424334E-01 |GRAD(Rho)| 0.6154871E-14 GRAD(Rho)x -0.4572846E-14 GRAD(Rho)y -0.2011790E-14 GRAD(Rho)z -0.3595027E-14 Laplacian 0.8943217E-01 (-1/4)Del**2(Rho)) -0.2235804E-01 Diamond 0.1122675E-01 Metallicity 0.1564732E+01 Ellipticity -0.4714552E+01 Gb(Abramov) 0.2073609E-01 Vb(Abramov) -0.1911413E-01 Hb(Abramov) 0.1621955E-02 Ex_ueg -0.5182130E-02 Ec_ueg -0.1050693E-02 Delta_ex -0.5518411E-02 Delta_ec 0.1520527E-02 Delta_et -0.1332047E-01 Pxc 0.4932105E+01 Qxc -0.3629276E+01 3,+1 122 3 -1 -0.528710 0.438718 0.454148 Rho 0.1743976E+00 |GRAD(Rho)| 0.7101781E-16 GRAD(Rho)x 0.1040834E-16 GRAD(Rho)y -0.5898060E-16 GRAD(Rho)z -0.3816392E-16 Laplacian 0.4429979E+00 (-1/4)Del**2(Rho)) -0.1107495E+00 Diamond 0.1096150E+01 Metallicity 0.8467967E+01 Ellipticity 0.5810669E-02 Gb(Abramov) 0.2301368E+00 Vb(Abramov) -0.3495241E+00 Hb(Abramov) -0.1193873E+00 Ex_ueg -0.7196243E-01 Ec_ueg -0.1002320E-01 Delta_ex -0.4955278E-01 Delta_ec 0.1111269E-01 Delta_et -0.1516016E+00 Pxc 0.7179586E+01 Qxc -0.4459116E+01 3,-1 123 3 +1 0.322185 -1.440535 -1.780989 Rho 0.5531929E-02 |GRAD(Rho)| 0.7948912E-17 GRAD(Rho)x 0.2309447E-17 GRAD(Rho)y 0.1212660E-17 GRAD(Rho)z 0.7508736E-17 Laplacian 0.2134209E-01 (-1/4)Del**2(Rho)) -0.5335523E-02 Diamond 0.4489955E-03 Metallicity 0.5586895E+00 Ellipticity -0.1820267E+01 Gb(Abramov) 0.4053832E-02 Vb(Abramov) -0.2772141E-02 Hb(Abramov) 0.1281691E-02 Ex_ueg -0.7225822E-03 Ec_ueg -0.1698752E-03 Delta_ex -0.9838348E-03 Delta_ec 0.4964797E-03 Delta_et -0.2849428E-02 Pxc 0.4253605E+01 Qxc -0.1981621E+01 3,+1 124 3 +1 0.543387 0.522296 1.726145 Rho 0.6878990E-02 |GRAD(Rho)| 0.8553503E-15 GRAD(Rho)x -0.1264638E-16 GRAD(Rho)y -0.6726390E-15 GRAD(Rho)z -0.5282244E-15 Laplacian 0.2556128E-01 (-1/4)Del**2(Rho)) -0.6390320E-02 Diamond 0.4998411E-03 Metallicity 0.6707669E+00 Ellipticity -0.1400497E+01 Gb(Abramov) 0.4974616E-02 Vb(Abramov) -0.3558912E-02 Hb(Abramov) 0.1415704E-02 Ex_ueg -0.9662391E-03 Ec_ueg -0.2286485E-03 Delta_ex -0.1101188E-02 Delta_ec 0.3542987E-03 Delta_et -0.2290191E-02 Pxc 0.4225872E+01 Qxc -0.3108078E+01 3,+1 125 3 -1 -0.059372 -3.308060 3.270026 Rho 0.1959380E+00 |GRAD(Rho)| 0.1346545E-15 GRAD(Rho)x -0.5875021E-16 GRAD(Rho)y -0.1123233E-15 GRAD(Rho)z 0.4542807E-16 Laplacian 0.7421460E+00 (-1/4)Del**2(Rho)) -0.1855365E+00 Diamond 0.2069304E+01 Metallicity 0.6137456E+01 Ellipticity 0.2569601E-02 Gb(Abramov) 0.3134780E+00 Vb(Abramov) -0.4414195E+00 Hb(Abramov) -0.1279415E+00 Ex_ueg -0.8405109E-01 Ec_ueg -0.1144665E-01 Delta_ex -0.8518162E-01 Delta_ec 0.1752435E-01 Delta_et -0.2403622E+00 Pxc 0.7342856E+01 Qxc -0.4860759E+01 3,-1 126 3 -1 0.014757 -3.320151 -1.344897 Rho 0.2800396E-01 |GRAD(Rho)| 0.4171890E-16 GRAD(Rho)x -0.4054460E-16 GRAD(Rho)y -0.2797848E-17 GRAD(Rho)z -0.9422010E-17 Laplacian 0.8611045E-01 (-1/4)Del**2(Rho)) -0.2152761E-01 Diamond 0.2957121E-01 Metallicity 0.2066600E+01 Ellipticity 0.1886077E-01 Gb(Abramov) 0.2176657E-01 Vb(Abramov) -0.2200553E-01 Hb(Abramov) -0.2389558E-03 Ex_ueg -0.6280743E-02 Ec_ueg -0.1241116E-02 Delta_ex -0.7052426E-02 Delta_ec 0.4195435E-02 Delta_et -0.3766519E-01 Pxc 0.5060559E+01 Qxc -0.1680976E+01 3,-1 127 3 -1 -0.565019 1.768949 -2.751367 Rho 0.1353175E+00 |GRAD(Rho)| 0.5703060E-14 GRAD(Rho)x -0.3361908E-14 GRAD(Rho)y -0.4346987E-14 GRAD(Rho)z 0.1525181E-14 Laplacian 0.5722120E+00 (-1/4)Del**2(Rho)) -0.1430530E+00 Diamond 0.1019368E+01 Metallicity 0.4295159E+01 Ellipticity 0.1153192E-01 Gb(Abramov) 0.1977746E+00 Vb(Abramov) -0.2524961E+00 Hb(Abramov) -0.5472156E-01 Ex_ueg -0.5130860E-01 Ec_ueg -0.7510352E-02 Delta_ex -0.5986408E-01 Delta_ec 0.1478194E-01 Delta_et -0.1935927E+00 Pxc 0.6831717E+01 Qxc -0.4049812E+01 3,-1 128 3 -1 -0.105816 3.161647 -3.210259 Rho 0.2211896E+00 |GRAD(Rho)| 0.7334866E-14 GRAD(Rho)x 0.4876416E-14 GRAD(Rho)y 0.4728206E-15 GRAD(Rho)z 0.5458687E-14 Laplacian 0.8261810E+00 (-1/4)Del**2(Rho)) -0.2065452E+00 Diamond 0.2648382E+01 Metallicity 0.6747547E+01 Ellipticity 0.1474802E-02 Gb(Abramov) 0.3699758E+00 Vb(Abramov) -0.5334063E+00 Hb(Abramov) -0.1634305E+00 Ex_ueg -0.9879571E-01 Ec_ueg -0.1314851E-01 Delta_ex -0.9772225E-01 Delta_ec 0.1868677E-01 Delta_et -0.2578894E+00 Pxc 0.7513835E+01 Qxc -0.5229488E+01 3,-1 129 3 -1 0.046234 3.011485 -0.045314 Rho 0.5516424E-02 |GRAD(Rho)| 0.3575803E-17 GRAD(Rho)x -0.9507873E-18 GRAD(Rho)y -0.1542692E-17 GRAD(Rho)z -0.3082608E-17 Laplacian 0.2142088E-01 (-1/4)Del**2(Rho)) -0.5355220E-02 Diamond 0.6280637E-03 Metallicity 0.5540367E+00 Ellipticity 0.4705831E+01 Gb(Abramov) 0.4064645E-02 Vb(Abramov) -0.2774070E-02 Hb(Abramov) 0.1290575E-02 Ex_ueg -0.7198830E-03 Ec_ueg -0.1692039E-03 Delta_ex -0.1132759E-02 Delta_ec 0.7587840E-03 Delta_et -0.4210506E-02 Pxc 0.4254530E+01 Qxc -0.1492860E+01 3,-1 130 3 -1 0.491904 -1.779455 1.736155 Rho 0.4038451E-01 |GRAD(Rho)| 0.3594270E-14 GRAD(Rho)x 0.2602511E-14 GRAD(Rho)y -0.5479799E-15 GRAD(Rho)z -0.2417732E-14 Laplacian 0.1690585E+00 (-1/4)Del**2(Rho)) -0.4226464E-01 Diamond 0.6900273E-01 Metallicity 0.1937614E+01 Ellipticity 0.1747567E-01 Gb(Abramov) 0.4182519E-01 Vb(Abramov) -0.4138573E-01 Hb(Abramov) 0.4394517E-03 Ex_ueg -0.1023304E-01 Ec_ueg -0.1890701E-02 Delta_ex -0.1347334E-01 Delta_ec 0.5546146E-02 Delta_et -0.5532216E-01 Pxc 0.5412300E+01 Qxc -0.2429316E+01 3,-1 131 3 -1 0.591109 1.863771 2.862767 Rho 0.1294986E+00 |GRAD(Rho)| 0.8609427E-12 GRAD(Rho)x -0.5549082E-12 GRAD(Rho)y 0.6094050E-12 GRAD(Rho)z -0.2488470E-12 Laplacian 0.5429628E+00 (-1/4)Del**2(Rho)) -0.1357407E+00 Diamond 0.9448721E+00 Metallicity 0.4206797E+01 Ellipticity 0.1717461E-01 Gb(Abramov) 0.1856661E+00 Vb(Abramov) -0.2355914E+00 Hb(Abramov) -0.4992536E-01 Ex_ueg -0.4838809E-01 Ec_ueg -0.7144351E-02 Delta_ex -0.5653450E-01 Delta_ec 0.1476764E-01 Delta_et -0.1931720E+00 Pxc 0.6772916E+01 Qxc -0.3828270E+01 3,-1 132 3 -1 0.830248 3.017104 -2.016337 Rho 0.1606522E+00 |GRAD(Rho)| 0.1919637E-15 GRAD(Rho)x -0.2743031E-16 GRAD(Rho)y -0.1451476E-15 GRAD(Rho)z -0.1225962E-15 Laplacian 0.6246720E+00 (-1/4)Del**2(Rho)) -0.1561680E+00 Diamond 0.1366856E+01 Metallicity 0.5237275E+01 Ellipticity 0.4363664E-01 Gb(Abramov) 0.2404278E+00 Vb(Abramov) -0.3246876E+00 Hb(Abramov) -0.8425979E-01 Ex_ueg -0.6450110E-01 Ec_ueg -0.9128856E-02 Delta_ex -0.6815944E-01 Delta_ec 0.1545277E-01 Delta_et -0.2072728E+00 Pxc 0.7065628E+01 Qxc -0.4410825E+01 3,-1 133 3 +1 0.139727 3.009522 -0.137874 Rho 0.5509939E-02 |GRAD(Rho)| 0.5326424E-17 GRAD(Rho)x 0.2295691E-17 GRAD(Rho)y -0.3501700E-19 GRAD(Rho)z -0.4806181E-17 Laplacian 0.2173507E-01 (-1/4)Del**2(Rho)) -0.5433768E-02 Diamond 0.5744622E-03 Metallicity 0.5449584E+00 Ellipticity -0.4766293E+01 Gb(Abramov) 0.4116042E-02 Vb(Abramov) -0.2798315E-02 Hb(Abramov) 0.1317727E-02 Ex_ueg -0.7187548E-03 Ec_ueg -0.1689231E-03 Delta_ex -0.1098699E-02 Delta_ec 0.6798910E-03 Delta_et -0.3803351E-02 Pxc 0.4254922E+01 Qxc -0.1615992E+01 3,+1 134 3 -1 0.577165 2.862249 1.824710 Rho 0.1261146E+00 |GRAD(Rho)| 0.4929303E-12 GRAD(Rho)x -0.3089466E-12 GRAD(Rho)y -0.8974649E-13 GRAD(Rho)z 0.3734673E-12 Laplacian 0.5333650E+00 (-1/4)Del**2(Rho)) -0.1333413E+00 Diamond 0.9001472E+00 Metallicity 0.4097615E+01 Ellipticity 0.1602245E-01 Gb(Abramov) 0.1799577E+00 Vb(Abramov) -0.2265741E+00 Hb(Abramov) -0.4661643E-01 Ex_ueg -0.4670955E-01 Ec_ueg -0.6932533E-02 Delta_ex -0.5519839E-01 Delta_ec 0.1462031E-01 Delta_et -0.1904175E+00 Pxc 0.6737732E+01 Qxc -0.3775461E+01 3,-1 135 3 -1 0.051896 3.307323 3.241704 Rho 0.1948136E+00 |GRAD(Rho)| 0.4022237E-15 GRAD(Rho)x 0.5097105E-16 GRAD(Rho)y -0.2356513E-15 GRAD(Rho)z 0.3219538E-15 Laplacian 0.7384475E+00 (-1/4)Del**2(Rho)) -0.1846119E+00 Diamond 0.2044351E+01 Metallicity 0.6109311E+01 Ellipticity 0.3308772E-02 Gb(Abramov) 0.3110498E+00 Vb(Abramov) -0.4374878E+00 Hb(Abramov) -0.1264379E+00 Ex_ueg -0.8340857E-01 Ec_ueg -0.1137169E-01 Delta_ex -0.8462993E-01 Delta_ec 0.1745858E-01 Delta_et -0.2393211E+00 Pxc 0.7334755E+01 Qxc -0.4847470E+01 3,-1 136 3 +1 1.710047 -0.586727 -0.555776 Rho 0.7185268E-02 |GRAD(Rho)| 0.2953257E-16 GRAD(Rho)x 0.2070637E-16 GRAD(Rho)y -0.2102193E-16 GRAD(Rho)z -0.1223823E-17 Laplacian 0.2742387E-01 (-1/4)Del**2(Rho)) -0.6855967E-02 Diamond 0.5759598E-03 Metallicity 0.6722892E+00 Ellipticity -0.1400354E+01 Gb(Abramov) 0.5338843E-02 Vb(Abramov) -0.3821720E-02 Hb(Abramov) 0.1517124E-02 Ex_ueg -0.1024021E-02 Ec_ueg -0.2421329E-03 Delta_ex -0.1198317E-02 Delta_ec 0.3872551E-03 Delta_et -0.2525499E-02 Pxc 0.4229171E+01 Qxc -0.3094385E+01 3,+1 137 3 -1 0.410739 0.424003 -0.509130 Rho 0.1751400E+00 |GRAD(Rho)| 0.8577186E-15 GRAD(Rho)x -0.4787837E-15 GRAD(Rho)y -0.6071532E-15 GRAD(Rho)z 0.3712308E-15 Laplacian 0.4435390E+00 (-1/4)Del**2(Rho)) -0.1108848E+00 Diamond 0.1107538E+01 Metallicity 0.8517726E+01 Ellipticity 0.2919105E-02 Gb(Abramov) 0.2313375E+00 Vb(Abramov) -0.3517902E+00 Hb(Abramov) -0.1204527E+00 Ex_ueg -0.7237117E-01 Ec_ueg -0.1007182E-01 Delta_ex -0.4970185E-01 Delta_ec 0.1117829E-01 Delta_et -0.1527529E+00 Pxc 0.7185512E+01 Qxc -0.4446286E+01 3,-1 138 3 +1 1.715913 0.529672 0.553549 Rho 0.6539329E-02 |GRAD(Rho)| 0.1368925E-16 GRAD(Rho)x 0.7955935E-17 GRAD(Rho)y 0.9823238E-17 GRAD(Rho)z -0.5253835E-17 Laplacian 0.2409921E-01 (-1/4)Del**2(Rho)) -0.6024804E-02 Diamond 0.4414239E-03 Metallicity 0.6538813E+00 Ellipticity -0.1393229E+01 Gb(Abramov) 0.4673120E-02 Vb(Abramov) -0.3321437E-02 Hb(Abramov) 0.1351683E-02 Ex_ueg -0.9031557E-03 Ec_ueg -0.2137462E-03 Delta_ex -0.1026222E-02 Delta_ec 0.3357716E-03 Delta_et -0.2140485E-02 Pxc 0.4225365E+01 Qxc -0.3056308E+01 3,+1 139 3 +1 2.036259 2.067103 -2.068119 Rho 0.1191672E-01 |GRAD(Rho)| 0.1651742E-16 GRAD(Rho)x 0.3912291E-17 GRAD(Rho)y -0.1101559E-16 GRAD(Rho)z 0.1166944E-16 Laplacian 0.5395153E-01 (-1/4)Del**2(Rho)) -0.1348788E-01 Diamond 0.1715132E-02 Metallicity 0.7940914E+00 Ellipticity -0.1154084E+01 Gb(Abramov) 0.1077702E-01 Vb(Abramov) -0.8066164E-02 Hb(Abramov) 0.2710859E-02 Ex_ueg -0.2010299E-02 Ec_ueg -0.4557258E-03 Delta_ex -0.2522788E-02 Delta_ec 0.4783615E-03 Delta_et -0.3751984E-02 Pxc 0.4411203E+01 Qxc -0.5273811E+01 3,+1 140 3 -1 0.845570 -3.097316 2.001005 Rho 0.1114363E+00 |GRAD(Rho)| 0.1131241E-13 GRAD(Rho)x 0.1094793E-13 GRAD(Rho)y -0.6050322E-15 GRAD(Rho)z 0.2783411E-14 Laplacian 0.4523838E+00 (-1/4)Del**2(Rho)) -0.1130960E+00 Diamond 0.6570407E+00 Metallicity 0.3930825E+01 Ellipticity 0.6382119E-02 Gb(Abramov) 0.1494907E+00 Vb(Abramov) -0.1858855E+00 Hb(Abramov) -0.3639475E-01 Ex_ueg -0.3960535E-01 Ec_ueg -0.6022881E-02 Delta_ex -0.4545644E-01 Delta_ec 0.1273422E-01 Delta_et -0.1621192E+00 Pxc 0.6575814E+01 Qxc -0.3569630E+01 3,-1 141 3 +1 0.452592 -1.748341 -0.722895 Rho 0.6480225E-02 |GRAD(Rho)| 0.8141147E-17 GRAD(Rho)x -0.6606419E-17 GRAD(Rho)y 0.4748162E-17 GRAD(Rho)z -0.2974293E-18 Laplacian 0.2448041E-01 (-1/4)Del**2(Rho)) -0.6120102E-02 Diamond 0.5522398E-03 Metallicity 0.6340322E+00 Ellipticity -0.1650213E+01 Gb(Abramov) 0.4726792E-02 Vb(Abramov) -0.3333481E-02 Hb(Abramov) 0.1393310E-02 Ex_ueg -0.8922883E-03 Ec_ueg -0.2111587E-03 Delta_ex -0.1111961E-02 Delta_ec 0.4693512E-03 Delta_et -0.2872153E-02 Pxc 0.4225676E+01 Qxc -0.2369146E+01 3,+1 142 3 -1 0.857879 -2.053427 3.058412 Rho 0.1232896E+00 |GRAD(Rho)| 0.1163279E-13 GRAD(Rho)x 0.1111703E-13 GRAD(Rho)y -0.3417717E-14 GRAD(Rho)z -0.2294036E-15 Laplacian 0.5029163E+00 (-1/4)Del**2(Rho)) -0.1257291E+00 Diamond 0.8227324E+00 Metallicity 0.4184671E+01 Ellipticity 0.1100143E-01 Gb(Abramov) 0.1715085E+00 Vb(Abramov) -0.2172879E+00 Hb(Abramov) -0.4577943E-01 Ex_ueg -0.4531967E-01 Ec_ueg -0.6756290E-02 Delta_ex -0.5172583E-01 Delta_ec 0.1378394E-01 Delta_et -0.1786886E+00 Pxc 0.6707774E+01 Qxc -0.3752615E+01 3,-1 143 3 -1 0.845828 1.987262 -3.003934 Rho 0.1438999E+00 |GRAD(Rho)| 0.3547622E-15 GRAD(Rho)x -0.2523481E-16 GRAD(Rho)y -0.2961905E-15 GRAD(Rho)z -0.1936250E-15 Laplacian 0.5642469E+00 (-1/4)Del**2(Rho)) -0.1410617E+00 Diamond 0.1081548E+01 Metallicity 0.4825899E+01 Ellipticity 0.6141813E-01 Gb(Abramov) 0.2074994E+00 Vb(Abramov) -0.2739371E+00 Hb(Abramov) -0.6643771E-01 Ex_ueg -0.5569281E-01 Ec_ueg -0.8054172E-02 Delta_ex -0.5991516E-01 Delta_ec 0.1434580E-01 Delta_et -0.1895872E+00 Pxc 0.6914778E+01 Qxc -0.4176495E+01 3,-1 144 3 +1 1.400850 1.019674 -2.203079 Rho 0.2645520E-01 |GRAD(Rho)| 0.1190592E-14 GRAD(Rho)x -0.7546809E-16 GRAD(Rho)y 0.1087280E-14 GRAD(Rho)z 0.4792031E-15 Laplacian 0.1018542E+00 (-1/4)Del**2(Rho)) -0.2546356E-01 Diamond 0.1340757E-01 Metallicity 0.1589104E+01 Ellipticity -0.3003608E+01 Gb(Abramov) 0.2371975E-01 Vb(Abramov) -0.2197594E-01 Hb(Abramov) 0.1743811E-02 Ex_ueg -0.5821922E-02 Ec_ueg -0.1162257E-02 Delta_ex -0.6331393E-02 Delta_ec 0.1549812E-02 Delta_et -0.1390429E-01 Pxc 0.5009154E+01 Qxc -0.4085264E+01 3,+1 145 3 -1 1.997450 3.029832 -0.872982 Rho 0.9482765E-01 |GRAD(Rho)| 0.2924362E-13 GRAD(Rho)x 0.2037738E-13 GRAD(Rho)y -0.9915862E-14 GRAD(Rho)z 0.1848317E-13 Laplacian 0.3938756E+00 (-1/4)Del**2(Rho)) -0.9846890E-01 Diamond 0.4744445E+00 Metallicity 0.3449947E+01 Ellipticity 0.6023928E-02 Gb(Abramov) 0.1222647E+00 Vb(Abramov) -0.1460605E+00 Hb(Abramov) -0.2379578E-01 Ex_ueg -0.3193731E-01 Ec_ueg -0.5012809E-02 Delta_ex -0.3818932E-01 Delta_ec 0.1160285E-01 Delta_et -0.1431426E+00 Pxc 0.6371141E+01 Qxc -0.3291373E+01 3,-1 146 3 +3 1.039678 -1.151802 -1.205049 Rho 0.4252500E-02 |GRAD(Rho)| 0.1628729E-17 GRAD(Rho)x 0.8210859E-18 GRAD(Rho)y -0.1024212E-17 GRAD(Rho)z 0.9641410E-18 Laplacian 0.1627851E-01 (-1/4)Del**2(Rho)) -0.4069627E-02 Diamond 0.1235980E-03 Metallicity 0.4725043E+00 Ellipticity -0.6026844E+00 Gb(Abramov) 0.3033571E-02 Vb(Abramov) -0.1997515E-02 Hb(Abramov) 0.1036056E-02 Ex_ueg -0.5088357E-03 Ec_ueg -0.1148880E-03 Delta_ex -0.5752742E-03 Delta_ec 0.1385791E-03 Delta_et -0.8702500E-03 Pxc 0.4428970E+01 Qxc -0.4151235E+01 3,+3 147 3 -1 0.402247 -0.518924 0.431499 Rho 0.1789920E+00 |GRAD(Rho)| 0.3395984E-15 GRAD(Rho)x -0.2636780E-15 GRAD(Rho)y 0.7285839E-16 GRAD(Rho)z -0.2012279E-15 Laplacian 0.4622217E+00 (-1/4)Del**2(Rho)) -0.1155554E+00 Diamond 0.1177106E+01 Metallicity 0.8475240E+01 Ellipticity 0.9234255E-03 Gb(Abramov) 0.2402636E+00 Vb(Abramov) -0.3649718E+00 Hb(Abramov) -0.1247082E+00 Ex_ueg -0.7450117E-01 Ec_ueg -0.1032458E-01 Delta_ex -0.5201730E-01 Delta_ec 0.1147671E-01 Delta_et -0.1569266E+00 Pxc 0.7215900E+01 Qxc -0.4532422E+01 3,-1 148 3 +1 1.397723 -1.076573 2.175946 Rho 0.2308056E-01 |GRAD(Rho)| 0.3827295E-16 GRAD(Rho)x -0.1708938E-16 GRAD(Rho)y -0.3372416E-16 GRAD(Rho)z 0.5954257E-17 Laplacian 0.8423649E-01 (-1/4)Del**2(Rho)) -0.2105912E-01 Diamond 0.9445893E-02 Metallicity 0.1530583E+01 Ellipticity -0.3477609E+01 Gb(Abramov) 0.1941154E-01 Vb(Abramov) -0.1776395E-01 Hb(Abramov) 0.1647586E-02 Ex_ueg -0.4853408E-02 Ec_ueg -0.9925673E-03 Delta_ex -0.5077477E-02 Delta_ec 0.1337901E-02 Delta_et -0.1160615E-01 Pxc 0.4889752E+01 Qxc -0.3795106E+01 3,+1 149 3 -1 1.234823 -1.943447 -2.369259 Rho 0.4716114E-01 |GRAD(Rho)| 0.1522561E-14 GRAD(Rho)x 0.4280293E-15 GRAD(Rho)y 0.8936659E-15 GRAD(Rho)z 0.1156004E-14 Laplacian 0.1289784E+00 (-1/4)Del**2(Rho)) -0.3224459E-01 Diamond 0.9223735E-01 Metallicity 0.3289047E+01 Ellipticity 0.5473666E-02 Gb(Abramov) 0.3917206E-01 Vb(Abramov) -0.4609953E-01 Hb(Abramov) -0.6927468E-02 Ex_ueg -0.1258435E-01 Ec_ueg -0.2258564E-02 Delta_ex -0.1194572E-01 Delta_ec 0.6494200E-02 Delta_et -0.6806347E-01 Pxc 0.5571838E+01 Qxc -0.1839444E+01 3,-1 150 3 -1 1.730158 -1.776063 0.527032 Rho 0.4001986E-01 |GRAD(Rho)| 0.9518752E-16 GRAD(Rho)x -0.7942289E-16 GRAD(Rho)y 0.5140601E-16 GRAD(Rho)z 0.1049241E-16 Laplacian 0.1677576E+00 (-1/4)Del**2(Rho)) -0.4193941E-01 Diamond 0.6747283E-01 Metallicity 0.1923344E+01 Ellipticity 0.2085589E-01 Gb(Abramov) 0.4140359E-01 Vb(Abramov) -0.4086777E-01 Hb(Abramov) 0.5358212E-03 Ex_ueg -0.1011003E-01 Ec_ueg -0.1871132E-02 Delta_ex -0.1333095E-01 Delta_ec 0.5487111E-02 Delta_et -0.5459506E-01 Pxc 0.5403164E+01 Qxc -0.2429502E+01 3,-1 151 3 +3 1.908864 1.924474 -1.922967 Rho 0.1175703E-01 |GRAD(Rho)| 0.1849590E-16 GRAD(Rho)x 0.4369767E-17 GRAD(Rho)y -0.1630093E-16 GRAD(Rho)z -0.7568568E-17 Laplacian 0.5268015E-01 (-1/4)Del**2(Rho)) -0.1317004E-01 Diamond 0.1171926E-02 Metallicity 0.7951742E+00 Ellipticity -0.7202535E+00 Gb(Abramov) 0.1052544E-01 Vb(Abramov) -0.7880837E-02 Hb(Abramov) 0.2644600E-02 Ex_ueg -0.1974461E-02 Ec_ueg -0.4483644E-03 Delta_ex -0.2314032E-02 Delta_ec 0.2168909E-03 Delta_et -0.1980856E-02 Pxc 0.4403698E+01 Qxc -0.1066911E+02 3,+3 152 3 -1 1.740607 0.477366 -1.774450 Rho 0.3965836E-01 |GRAD(Rho)| 0.1758441E-15 GRAD(Rho)x -0.1241636E-15 GRAD(Rho)y 0.6553272E-16 GRAD(Rho)z 0.1058774E-15 Laplacian 0.1536370E+00 (-1/4)Del**2(Rho)) -0.3840925E-01 Diamond 0.5592586E-01 Metallicity 0.2068594E+01 Ellipticity 0.2590710E-01 Gb(Abramov) 0.3884836E-01 Vb(Abramov) -0.3928747E-01 Hb(Abramov) -0.4391082E-03 Ex_ueg -0.9988450E-02 Ec_ueg -0.1851755E-02 Delta_ex -0.1188198E-01 Delta_ec 0.4489850E-02 Delta_et -0.4450783E-01 Pxc 0.5394044E+01 Qxc -0.2646408E+01 3,-1 153 3 -1 1.851072 0.596615 2.879043 Rho 0.1245794E+00 |GRAD(Rho)| 0.2320729E-13 GRAD(Rho)x 0.2117759E-14 GRAD(Rho)y 0.2235362E-13 GRAD(Rho)z -0.5865913E-14 Laplacian 0.5266970E+00 (-1/4)Del**2(Rho)) -0.1316743E+00 Diamond 0.8747204E+00 Metallicity 0.4065643E+01 Ellipticity 0.1547842E-01 Gb(Abramov) 0.1770063E+00 Vb(Abramov) -0.2223383E+00 Hb(Abramov) -0.4533201E-01 Ex_ueg -0.4595294E-01 Ec_ueg -0.6836689E-02 Delta_ex -0.5433456E-01 Delta_ec 0.1445179E-01 Delta_et -0.1877748E+00 Pxc 0.6721519E+01 Qxc -0.3759711E+01 3,-1 154 3 -1 1.743431 1.715533 -0.525456 Rho 0.3599379E-01 |GRAD(Rho)| 0.2988664E-13 GRAD(Rho)x 0.2076815E-13 GRAD(Rho)y 0.1922224E-13 GRAD(Rho)z 0.9612540E-14 Laplacian 0.1500763E+00 (-1/4)Del**2(Rho)) -0.3751907E-01 Diamond 0.5232114E-01 Metallicity 0.1801691E+01 Ellipticity 0.3212810E-01 Gb(Abramov) 0.3627901E-01 Vb(Abramov) -0.3503895E-01 Hb(Abramov) 0.1240059E-02 Ex_ueg -0.8777184E-02 Ec_ueg -0.1656720E-02 Delta_ex -0.1162781E-01 Delta_ec 0.4918129E-02 Delta_et -0.4751874E-01 Pxc 0.5297928E+01 Qxc -0.2364275E+01 3,-1 155 3 +1 1.818707 1.820060 1.811046 Rho 0.1098899E-01 |GRAD(Rho)| 0.1236762E-15 GRAD(Rho)x 0.9090563E-16 GRAD(Rho)y -0.8288021E-16 GRAD(Rho)z 0.1276115E-16 Laplacian 0.4873331E-01 (-1/4)Del**2(Rho)) -0.1218333E-01 Diamond 0.1583375E-02 Metallicity 0.7680394E+00 Ellipticity -0.1249985E+01 Gb(Abramov) 0.9681763E-02 Vb(Abramov) -0.7180200E-02 Hb(Abramov) 0.2501563E-02 Ex_ueg -0.1804383E-02 Ec_ueg -0.4131007E-03 Delta_ex -0.2292746E-02 Delta_ec 0.5469880E-03 Delta_et -0.4082480E-02 Pxc 0.4367901E+01 Qxc -0.4191584E+01 3,+1 156 3 -1 1.889835 -2.841732 -0.628498 Rho 0.1119049E+00 |GRAD(Rho)| 0.8844812E-16 GRAD(Rho)x -0.8782038E-17 GRAD(Rho)y 0.2932428E-16 GRAD(Rho)z -0.8298212E-16 Laplacian 0.4395268E+00 (-1/4)Del**2(Rho)) -0.1098817E+00 Diamond 0.6483021E+00 Metallicity 0.4074204E+01 Ellipticity 0.9711766E-01 Gb(Abramov) 0.1478679E+00 Vb(Abramov) -0.1858541E+00 Hb(Abramov) -0.3798618E-01 Ex_ueg -0.3982756E-01 Ec_ueg -0.6051684E-02 Delta_ex -0.4430666E-01 Delta_ec 0.1253678E-01 Delta_et -0.1599839E+00 Pxc 0.6581236E+01 Qxc -0.3534133E+01 3,-1 157 3 +1 1.942476 -1.741744 -1.820710 Rho 0.1440432E-01 |GRAD(Rho)| 0.7494187E-17 GRAD(Rho)x -0.2870893E-17 GRAD(Rho)y -0.6588147E-17 GRAD(Rho)z -0.2125352E-17 Laplacian 0.6552817E-01 (-1/4)Del**2(Rho)) -0.1638204E-01 Diamond 0.3545939E-02 Metallicity 0.8967539E+00 Ellipticity -0.1488469E+01 Gb(Abramov) 0.1336980E-01 Vb(Abramov) -0.1035757E-01 Hb(Abramov) 0.3012237E-02 Ex_ueg -0.2588465E-02 Ec_ueg -0.5716683E-03 Delta_ex -0.3420006E-02 Delta_ec 0.9200209E-03 Delta_et -0.7163142E-02 Pxc 0.4527914E+01 Qxc -0.3717314E+01 3,+1 158 3 +3 1.936723 -1.976124 1.931471 Rho 0.1104123E-01 |GRAD(Rho)| 0.9007273E-15 GRAD(Rho)x -0.5222197E-15 GRAD(Rho)y 0.5003157E-15 GRAD(Rho)z -0.5369176E-15 Laplacian 0.4349665E-01 (-1/4)Del**2(Rho)) -0.1087416E-01 Diamond 0.8216605E-03 Metallicity 0.8673341E+00 Ellipticity -0.8229352E+00 Gb(Abramov) 0.8821364E-02 Vb(Abramov) -0.6768565E-02 Hb(Abramov) 0.2052799E-02 Ex_ueg -0.1815829E-02 Ec_ueg -0.4154917E-03 Delta_ex -0.1854970E-02 Delta_ec 0.1418310E-03 Delta_et -0.1380576E-02 Pxc 0.4370314E+01 Qxc -0.1307873E+02 3,+3 159 3 +1 2.033702 -2.076158 2.025518 Rho 0.1109058E-01 |GRAD(Rho)| 0.8095174E-15 GRAD(Rho)x -0.3399325E-15 GRAD(Rho)y -0.5344394E-15 GRAD(Rho)z -0.5041218E-15 Laplacian 0.4404283E-01 (-1/4)Del**2(Rho)) -0.1101071E-01 Diamond 0.1097597E-02 Metallicity 0.8629683E+00 Ellipticity -0.1117910E+01 Gb(Abramov) 0.8924120E-02 Vb(Abramov) -0.6837533E-02 Hb(Abramov) 0.2086587E-02 Ex_ueg -0.1826658E-02 Ec_ueg -0.4177513E-03 Delta_ex -0.1964327E-02 Delta_ec 0.2928501E-03 Delta_et -0.2376673E-02 Pxc 0.4372597E+01 Qxc -0.6707618E+01 3,+1 160 3 +1 1.448574 2.174530 -1.017138 Rho 0.2311551E-01 |GRAD(Rho)| 0.8538376E-15 GRAD(Rho)x 0.6478109E-15 GRAD(Rho)y 0.3129174E-15 GRAD(Rho)z 0.4598502E-15 Laplacian 0.8588608E-01 (-1/4)Del**2(Rho)) -0.2147152E-01 Diamond 0.8104136E-02 Metallicity 0.1504976E+01 Ellipticity -0.2027788E+01 Gb(Abramov) 0.1970003E-01 Vb(Abramov) -0.1792855E-01 Hb(Abramov) 0.1771487E-02 Ex_ueg -0.4863210E-02 Ec_ueg -0.9943091E-03 Delta_ex -0.4992512E-02 Delta_ec 0.1031123E-02 Delta_et -0.9049538E-02 Pxc 0.4891045E+01 Qxc -0.4841818E+01 3,+1 161 3 -1 1.842861 2.844891 0.576514 Rho 0.1299646E+00 |GRAD(Rho)| 0.1856378E-15 GRAD(Rho)x 0.4095574E-16 GRAD(Rho)y 0.4936508E-16 GRAD(Rho)z 0.1742042E-15 Laplacian 0.5494338E+00 (-1/4)Del**2(Rho)) -0.1373584E+00 Diamond 0.9577809E+00 Metallicity 0.4182212E+01 Ellipticity 0.1701416E-01 Gb(Abramov) 0.1873160E+00 Vb(Abramov) -0.2372735E+00 Hb(Abramov) -0.4995754E-01 Ex_ueg -0.4862037E-01 Ec_ueg -0.7173577E-02 Delta_ex -0.5722745E-01 Delta_ec 0.1487746E-01 Delta_et -0.1946307E+00 Pxc 0.6777703E+01 Qxc -0.3846587E+01 3,-1 162 3 -1 2.026482 -0.880236 3.070081 Rho 0.1241888E+00 |GRAD(Rho)| 0.1393088E-15 GRAD(Rho)x -0.1284373E-15 GRAD(Rho)y 0.3115726E-16 GRAD(Rho)z -0.4404571E-16 Laplacian 0.5038608E+00 (-1/4)Del**2(Rho)) -0.1259652E+00 Diamond 0.8325154E+00 Metallicity 0.4227722E+01 Ellipticity 0.8028256E-02 Gb(Abramov) 0.1727344E+00 Vb(Abramov) -0.2195037E+00 Hb(Abramov) -0.4676924E-01 Ex_ueg -0.4576092E-01 Ec_ueg -0.6812329E-02 Delta_ex -0.5192551E-01 Delta_ec 0.1380953E-01 Delta_et -0.1792876E+00 Pxc 0.6717369E+01 Qxc -0.3760123E+01 3,-1 163 3 -1 1.910073 -0.594458 -2.894778 Rho 0.2052520E+00 |GRAD(Rho)| 0.3716415E-15 GRAD(Rho)x -0.2334287E-15 GRAD(Rho)y -0.2796157E-15 GRAD(Rho)z 0.7377996E-16 Laplacian 0.7969829E+00 (-1/4)Del**2(Rho)) -0.1992457E+00 Diamond 0.2317736E+01 Metallicity 0.6175086E+01 Ellipticity 0.1385456E-01 Gb(Abramov) 0.3378904E+00 Vb(Abramov) -0.4765351E+00 Hb(Abramov) -0.1386447E+00 Ex_ueg -0.8942003E-01 Ec_ueg -0.1207025E-01 Delta_ex -0.9235650E-01 Delta_ec 0.1820668E-01 Delta_et -0.2493292E+00 Pxc 0.7408301E+01 Qxc -0.5072672E+01 3,-1 164 3 -1 1.725286 -0.545107 1.750536 Rho 0.3346881E-01 |GRAD(Rho)| 0.2694042E-16 GRAD(Rho)x 0.2499827E-16 GRAD(Rho)y 0.5019941E-17 GRAD(Rho)z 0.8699028E-17 Laplacian 0.1378457E+00 (-1/4)Del**2(Rho)) -0.3446143E-01 Diamond 0.4320375E-01 Metallicity 0.1737615E+01 Ellipticity 0.1864815E-01 Gb(Abramov) 0.3295441E-01 Vb(Abramov) -0.3144738E-01 Hb(Abramov) 0.1507028E-02 Ex_ueg -0.7965970E-02 Ec_ueg -0.1523881E-02 Delta_ex -0.1047096E-01 Delta_ec 0.4475113E-02 Delta_et -0.4236819E-01 Pxc 0.5227422E+01 Qxc -0.2339820E+01 3,-1 165 3 -1 2.006180 0.826371 -3.036267 Rho 0.1128519E+00 |GRAD(Rho)| 0.2571483E-15 GRAD(Rho)x -0.7727651E-16 GRAD(Rho)y 0.2032269E-15 GRAD(Rho)z -0.1373040E-15 Laplacian 0.4332055E+00 (-1/4)Del**2(Rho)) -0.1083014E+00 Diamond 0.6249221E+00 Metallicity 0.4192122E+01 Ellipticity 0.2261705E-01 Gb(Abramov) 0.1478697E+00 Vb(Abramov) -0.1874380E+00 Hb(Abramov) -0.3956832E-01 Ex_ueg -0.4027760E-01 Ec_ueg -0.6109944E-02 Delta_ex -0.4345609E-01 Delta_ec 0.1179849E-01 Delta_et -0.1500447E+00 Pxc 0.6592138E+01 Qxc -0.3683192E+01 3,-1 166 3 +1 2.158226 1.404231 -1.073807 Rho 0.2451934E-01 |GRAD(Rho)| 0.1459666E-16 GRAD(Rho)x -0.4026337E-17 GRAD(Rho)y -0.8755265E-17 GRAD(Rho)z 0.1096341E-16 Laplacian 0.9248198E-01 (-1/4)Del**2(Rho)) -0.2312050E-01 Diamond 0.1153165E-01 Metallicity 0.1541951E+01 Ellipticity -0.3668732E+01 Gb(Abramov) 0.2135544E-01 Vb(Abramov) -0.1959039E-01 Hb(Abramov) 0.1765052E-02 Ex_ueg -0.5260941E-02 Ec_ueg -0.1064544E-02 Delta_ex -0.5694841E-02 Delta_ec 0.1520593E-02 Delta_et -0.1337085E-01 Pxc 0.4941966E+01 Qxc -0.3745145E+01 3,+1 167 3 -1 2.021619 -3.098090 0.853004 Rho 0.1359538E+00 |GRAD(Rho)| 0.3285791E-15 GRAD(Rho)x 0.2465882E-15 GRAD(Rho)y 0.1128519E-15 GRAD(Rho)z -0.1855341E-15 Laplacian 0.5449053E+00 (-1/4)Del**2(Rho)) -0.1362263E+00 Diamond 0.1002920E+01 Metallicity 0.4545807E+01 Ellipticity 0.2336179E-01 Gb(Abramov) 0.1940273E+00 Vb(Abramov) -0.2518283E+00 Hb(Abramov) -0.5780099E-01 Ex_ueg -0.5163056E-01 Ec_ueg -0.7550511E-02 Delta_ex -0.5737562E-01 Delta_ec 0.1460212E-01 Delta_et -0.1924641E+00 Pxc 0.6838022E+01 Qxc -0.3929266E+01 3,-1 168 3 +1 3.103804 -0.096648 0.117432 Rho 0.4765498E-02 |GRAD(Rho)| 0.1399160E-16 GRAD(Rho)x 0.5000569E-18 GRAD(Rho)y -0.9262477E-17 GRAD(Rho)z -0.1047480E-16 Laplacian 0.1818795E-01 (-1/4)Del**2(Rho)) -0.4546988E-02 Diamond 0.3884126E-03 Metallicity 0.5113009E+00 Ellipticity -0.3320335E+01 Gb(Abramov) 0.3418805E-02 Vb(Abramov) -0.2290622E-02 Hb(Abramov) 0.1128183E-02 Ex_ueg -0.5922833E-03 Ec_ueg -0.1368352E-03 Delta_ex -0.8868551E-03 Delta_ec 0.5564408E-03 Delta_et -0.2985255E-02 Pxc 0.4328441E+01 Qxc -0.1593800E+01 3,+1 169 3 -1 3.030584 2.020547 -0.881863 Rho 0.1248139E+00 |GRAD(Rho)| 0.3238531E-15 GRAD(Rho)x 0.1438397E-15 GRAD(Rho)y 0.1605432E-15 GRAD(Rho)z 0.2416958E-15 Laplacian 0.5082890E+00 (-1/4)Del**2(Rho)) -0.1270723E+00 Diamond 0.8453000E+00 Metallicity 0.4226108E+01 Ellipticity 0.1872187E-01 Gb(Abramov) 0.1742183E+00 Vb(Abramov) -0.2213644E+00 Hb(Abramov) -0.4714609E-01 Ex_ueg -0.4606830E-01 Ec_ueg -0.6851318E-02 Delta_ex -0.5244938E-01 Delta_ec 0.1392335E-01 Delta_et -0.1809391E+00 Pxc 0.6724006E+01 Qxc -0.3767009E+01 3,-1 170 3 -1 2.874897 -1.832068 -0.580364 Rho 0.9734762E-01 |GRAD(Rho)| 0.4349781E-14 GRAD(Rho)x 0.1864699E-14 GRAD(Rho)y -0.3886275E-14 GRAD(Rho)z 0.5834024E-15 Laplacian 0.4168432E+00 (-1/4)Del**2(Rho)) -0.1042108E+00 Diamond 0.5194795E+00 Metallicity 0.3405514E+01 Ellipticity 0.1643635E-01 Gb(Abramov) 0.1286224E+00 Vb(Abramov) -0.1530340E+00 Hb(Abramov) -0.2441162E-01 Ex_ueg -0.3307391E-01 Ec_ueg -0.5164662E-02 Delta_ex -0.4068129E-01 Delta_ec 0.1224922E-01 Delta_et -0.1519932E+00 Pxc 0.6403886E+01 Qxc -0.3321133E+01 3,-1 171 3 -1 2.875889 0.591519 1.872203 Rho 0.1173337E+00 |GRAD(Rho)| 0.4891702E-14 GRAD(Rho)x -0.1720866E-14 GRAD(Rho)y -0.2914796E-14 GRAD(Rho)z 0.3531477E-14 Laplacian 0.4976730E+00 (-1/4)Del**2(Rho)) -0.1244182E+00 Diamond 0.7720926E+00 Metallicity 0.3893803E+01 Ellipticity 0.2092767E-01 Gb(Abramov) 0.1636889E+00 Vb(Abramov) -0.2029595E+00 Hb(Abramov) -0.3927061E-01 Ex_ueg -0.4242439E-01 Ec_ueg -0.6386538E-02 Delta_ex -0.5065863E-01 Delta_ec 0.1392016E-01 Delta_et -0.1790479E+00 Pxc 0.6642784E+01 Qxc -0.3639227E+01 3,-1 172 3 -1 3.064831 -0.860570 2.035342 Rho 0.1181026E+00 |GRAD(Rho)| 0.1979890E-15 GRAD(Rho)x -0.5760502E-16 GRAD(Rho)y 0.1891797E-15 GRAD(Rho)z -0.9608742E-17 Laplacian 0.4806946E+00 (-1/4)Del**2(Rho)) -0.1201737E+00 Diamond 0.7489885E+00 Metallicity 0.4075456E+01 Ellipticity 0.3491036E-02 Gb(Abramov) 0.1617428E+00 Vb(Abramov) -0.2033120E+00 Hb(Abramov) -0.4156918E-01 Ex_ueg -0.4279544E-01 Ec_ueg -0.6434130E-02 Delta_ex -0.4896953E-01 Delta_ec 0.1336053E-01 Delta_et -0.1719564E+00 Pxc 0.6651318E+01 Qxc -0.3665240E+01 3,-1 173 3 -1 3.276894 -0.063362 -3.273165 Rho 0.2159232E+00 |GRAD(Rho)| 0.5590520E-15 GRAD(Rho)x -0.4138942E-15 GRAD(Rho)y 0.3398974E-16 GRAD(Rho)z 0.3742666E-15 Laplacian 0.7932050E+00 (-1/4)Del**2(Rho)) -0.1983012E+00 Diamond 0.2482418E+01 Metallicity 0.6751389E+01 Ellipticity 0.1285122E-01 Gb(Abramov) 0.3553356E+00 Vb(Abramov) -0.5123700E+00 Hb(Abramov) -0.1570344E+00 Ex_ueg -0.9567182E-01 Ec_ueg -0.1279065E-01 Delta_ex -0.9331534E-01 Delta_ec 0.1819969E-01 Delta_et -0.2513381E+00 Pxc 0.7479824E+01 Qxc -0.5127304E+01 3,-1 174 3 -1 2.872776 -0.588273 -1.862412 Rho 0.1596753E+00 |GRAD(Rho)| 0.5010723E-12 GRAD(Rho)x -0.9122188E-13 GRAD(Rho)y 0.2983772E-12 GRAD(Rho)z -0.3920753E-12 Laplacian 0.6360940E+00 (-1/4)Del**2(Rho)) -0.1590235E+00 Diamond 0.1386138E+01 Metallicity 0.5091213E+01 Ellipticity 0.1848363E-01 Gb(Abramov) 0.2409528E+00 Vb(Abramov) -0.3228820E+00 Hb(Abramov) -0.8192925E-01 Ex_ueg -0.6397868E-01 Ec_ueg -0.9065720E-02 Delta_ex -0.6934143E-01 Delta_ec 0.1583252E-01 Delta_et -0.2123894E+00 Pxc 0.7057209E+01 Qxc -0.4379685E+01 3,-1 175 3 -1 3.268419 0.049468 3.305516 Rho 0.1967396E+00 |GRAD(Rho)| 0.5631138E-15 GRAD(Rho)x -0.4336809E-17 GRAD(Rho)y 0.1402416E-15 GRAD(Rho)z 0.5453537E-15 Laplacian 0.7379851E+00 (-1/4)Del**2(Rho)) -0.1844963E+00 Diamond 0.2072108E+01 Metallicity 0.6214199E+01 Ellipticity 0.2018682E-02 Gb(Abramov) 0.3140803E+00 Vb(Abramov) -0.4436643E+00 Hb(Abramov) -0.1295840E+00 Ex_ueg -0.8450986E-01 Ec_ueg -0.1150013E-01 Delta_ex -0.8482186E-01 Delta_ec 0.1745989E-01 Delta_et -0.2397417E+00 Pxc 0.7348604E+01 Qxc -0.4858099E+01 3,-1 176 3 -1 3.019826 0.839394 -2.060441 Rho 0.1220702E+00 |GRAD(Rho)| 0.4096881E-15 GRAD(Rho)x -0.1771586E-15 GRAD(Rho)y -0.3138765E-15 GRAD(Rho)z -0.1947837E-15 Laplacian 0.4903013E+00 (-1/4)Del**2(Rho)) -0.1225753E+00 Diamond 0.7660962E+00 Metallicity 0.4221817E+01 Ellipticity 0.1309296E-01 Gb(Abramov) 0.1679653E+00 Vb(Abramov) -0.2133553E+00 Hb(Abramov) -0.4538999E-01 Ex_ueg -0.4472302E-01 Ec_ueg -0.6680388E-02 Delta_ex -0.4996235E-01 Delta_ec 0.1284956E-01 Delta_et -0.1652663E+00 Pxc 0.6694675E+01 Qxc -0.3888255E+01 3,-1 177 3 -1 3.295905 -3.276949 -0.034361 Rho 0.1965568E+00 |GRAD(Rho)| 0.2151044E-14 GRAD(Rho)x 0.9149582E-15 GRAD(Rho)y 0.1108163E-14 GRAD(Rho)z -0.1600567E-14 Laplacian 0.7443110E+00 (-1/4)Del**2(Rho)) -0.1860778E+00 Diamond 0.2082542E+01 Metallicity 0.6151847E+01 Ellipticity 0.3807280E-02 Gb(Abramov) 0.3148388E+00 Vb(Abramov) -0.4435999E+00 Hb(Abramov) -0.1287611E+00 Ex_ueg -0.8440519E-01 Ec_ueg -0.1148793E-01 Delta_ex -0.8549401E-01 Delta_ec 0.1755204E-01 Delta_et -0.2407792E+00 Pxc 0.7347295E+01 Qxc -0.4870889E+01 3,-1 178 3 -1 2.883186 1.840997 0.607041 Rho 0.1385261E+00 |GRAD(Rho)| 0.7689602E-15 GRAD(Rho)x 0.5169611E-16 GRAD(Rho)y -0.6948110E-15 GRAD(Rho)z 0.3253691E-15 Laplacian 0.5790311E+00 (-1/4)Del**2(Rho)) -0.1447578E+00 Diamond 0.1089558E+01 Metallicity 0.4413644E+01 Ellipticity 0.1430448E-01 Gb(Abramov) 0.2029901E+00 Vb(Abramov) -0.2612223E+00 Hb(Abramov) -0.5823229E-01 Ex_ueg -0.5293715E-01 Ec_ueg -0.7713115E-02 Delta_ex -0.6124036E-01 Delta_ec 0.1543853E-01 Delta_et -0.2040844E+00 Pxc 0.6863264E+01 Qxc -0.3966721E+01 3,-1 179 3 -1 3.073699 -2.030492 0.876877 Rho 0.1313452E+00 |GRAD(Rho)| 0.1260010E-15 GRAD(Rho)x 0.1202109E-15 GRAD(Rho)y 0.3754050E-16 GRAD(Rho)z 0.4038653E-17 Laplacian 0.5335590E+00 (-1/4)Del**2(Rho)) -0.1333897E+00 Diamond 0.9395697E+00 Metallicity 0.4383167E+01 Ellipticity 0.1839479E-01 Gb(Abramov) 0.1863714E+00 Vb(Abramov) -0.2393531E+00 Hb(Abramov) -0.5298167E-01 Ex_ueg -0.4931029E-01 Ec_ueg -0.7260263E-02 Delta_ex -0.5568608E-01 Delta_ec 0.1436017E-01 Delta_et -0.1881023E+00 Pxc 0.6791805E+01 Qxc -0.3877814E+01 3,-1 180 3 -1 3.272291 3.264147 0.046266 Rho 0.1954172E+00 |GRAD(Rho)| 0.6569685E-15 GRAD(Rho)x 0.4908183E-15 GRAD(Rho)y 0.4103705E-15 GRAD(Rho)z 0.1493353E-15 Laplacian 0.7374278E+00 (-1/4)Del**2(Rho)) -0.1843570E+00 Diamond 0.2049776E+01 Metallicity 0.6149384E+01 Ellipticity 0.3473411E-02 Gb(Abramov) 0.3118516E+00 Vb(Abramov) -0.4393462E+00 Hb(Abramov) -0.1274946E+00 Ex_ueg -0.8375333E-01 Ec_ueg -0.1141192E-01 Delta_ex -0.8458413E-01 Delta_ec 0.1742793E-01 Delta_et -0.2389926E+00 Pxc 0.7339109E+01 Qxc -0.4853366E+01 3,-1 181 3 -1 -2.857410 -0.557135 1.867873 Rho 0.1254514E+00 |GRAD(Rho)| 0.1015612E-13 GRAD(Rho)x 0.2505408E-14 GRAD(Rho)y 0.5877189E-14 GRAD(Rho)z 0.7894835E-14 Laplacian 0.5280450E+00 (-1/4)Del**2(Rho)) -0.1320112E+00 Diamond 0.8834256E+00 Metallicity 0.4102683E+01 Ellipticity 0.1770328E-01 Gb(Abramov) 0.1782742E+00 Vb(Abramov) -0.2245372E+00 Hb(Abramov) -0.4626297E-01 Ex_ueg -0.4638230E-01 Ec_ueg -0.6891107E-02 Delta_ex -0.5455254E-01 Delta_ec 0.1444458E-01 Delta_et -0.1878748E+00 Pxc 0.6730747E+01 Qxc -0.3776678E+01 3,-1 182 3 -1 -1.839046 2.761345 -0.549856 Rho 0.1170411E+00 |GRAD(Rho)| 0.5266063E-15 GRAD(Rho)x -0.4198302E-15 GRAD(Rho)y -0.1702604E-15 GRAD(Rho)z 0.2684552E-15 Laplacian 0.4814393E+00 (-1/4)Del**2(Rho)) -0.1203598E+00 Diamond 0.7251582E+00 Metallicity 0.4008382E+01 Ellipticity 0.8030911E-02 Gb(Abramov) 0.1606479E+00 Vb(Abramov) -0.2009360E+00 Hb(Abramov) -0.4028809E-01 Ex_ueg -0.4228338E-01 Ec_ueg -0.6368436E-02 Delta_ex -0.4870682E-01 Delta_ec 0.1299074E-01 Delta_et -0.1662809E+00 Pxc 0.6639524E+01 Qxc -0.3749349E+01 3,-1 183 3 -1 -2.047650 3.015442 0.835785 Rho 0.1431965E+00 |GRAD(Rho)| 0.2289878E-15 GRAD(Rho)x 0.1090978E-16 GRAD(Rho)y -0.2253785E-16 GRAD(Rho)z -0.2276147E-15 Laplacian 0.5626422E+00 (-1/4)Del**2(Rho)) -0.1406606E+00 Diamond 0.1068410E+01 Metallicity 0.4800296E+01 Ellipticity 0.3114953E-01 Gb(Abramov) 0.2063091E+00 Vb(Abramov) -0.2719576E+00 Hb(Abramov) -0.6564853E-01 Ex_ueg -0.5533010E-01 Ec_ueg -0.8009422E-02 Delta_ex -0.5963358E-01 Delta_ec 0.1425165E-01 Delta_et -0.1880561E+00 Pxc 0.6908126E+01 Qxc -0.4184329E+01 3,-1 184 3 -1 -0.607094 -1.872461 2.894190 Rho 0.1181817E+00 |GRAD(Rho)| 0.3087716E-13 GRAD(Rho)x -0.2993222E-13 GRAD(Rho)y -0.2235598E-14 GRAD(Rho)z -0.7243168E-14 Laplacian 0.4965903E+00 (-1/4)Del**2(Rho)) -0.1241476E+00 Diamond 0.7770539E+00 Metallicity 0.3949405E+01 Ellipticity 0.1950615E-01 Gb(Abramov) 0.1644832E+00 Vb(Abramov) -0.2048189E+00 Hb(Abramov) -0.4033565E-01 Ex_ueg -0.4283366E-01 Ec_ueg -0.6439027E-02 Delta_ex -0.5063348E-01 Delta_ec 0.1386559E-01 Delta_et -0.1785801E+00 Pxc 0.6652194E+01 Qxc -0.3651737E+01 3,-1 185 3 -1 1.181123 -2.511258 -1.833002 Rho 0.3095385E+00 |GRAD(Rho)| 0.4138279E-15 GRAD(Rho)x 0.2391551E-15 GRAD(Rho)y 0.2419198E-15 GRAD(Rho)z 0.2356547E-15 Laplacian -0.1506413E+01 (-1/4)Del**2(Rho)) 0.3766033E+00 Diamond 0.5160636E+01 Metallicity -0.6479282E+01 Ellipticity 0.4608522E-02 Gb(Abramov) 0.1556176E+00 Vb(Abramov) -0.6878385E+00 Hb(Abramov) -0.5322209E+00 Ex_ueg -0.1546457E+00 Ec_ueg -0.1937874E-01 Delta_ex 0.1476788E+00 Delta_ec 0.5325127E-01 Delta_et -0.1244445E+01 Pxc 0.7980175E+01 Qxc 0.2773244E+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 79 130 184 107 142 140 125 147 119 137 122 116 127 114 143 132 128 91 131 134 110 115 135 150 170 156 179 167 177 154 178 161 169 145 180 61 77 182 78 183 63 96 76 90 58 89 73 97 70 82 64 83 57 72 181 85 71 86 69 164 171 153 172 162 175 152 174 163 176 165 173 118 108 66 74 149 129 185 126 102 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 17 21 21 25 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 19 36 52 27 52 53 53 2.447431 2.007145 1.982799 1.998445 2.038455 1.820876 1.715842 1.703384 1.726106 1.727541 2.359008 1.953692 1.921238 1.942001 1.899246 1.773975 2.447723 1.971475 1.981613 2.007515 2.052262 1.822997 2.450637 2.080527 2.045451 1.973421 1.960417 1.819710 2.494155 1.944848 1.970109 1.994497 2.099284 1.821885 2.396508 1.855729 2.014018 1.898929 1.945370 1.779235 2.370410 1.974408 1.966948 2.074519 2.044825 1.821369 2.353750 2.148219 1.959014 1.914372 1.780274 1.785585 2.439752 1.984969 1.950890 2.103841 1.996615 1.822233 2.526233 2.009390 1.986179 2.015345 1.995813 1.819512 2.465573 1.894673 1.805089 2.009338 2.040079 1.783776 3.237418 3.146000 3.227972 3.347512 1.686978 3.285272 1.006274 1.914273 0.995256 2.449433 2.007296 1.982993 1.998704 2.038679 1.820880 1.715860 1.703435 1.726127 1.727549 2.360704 1.954146 1.921771 1.942531 1.899633 1.773983 2.449903 1.971649 1.981784 2.007749 2.052495 1.822999 2.452747 2.080839 2.045990 1.973669 1.960663 1.819719 2.496270 1.945037 1.970293 1.994761 2.099520 1.821890 2.398171 1.856112 2.014372 1.899259 1.945851 1.779248 2.373010 1.974587 1.967119 2.074790 2.045257 1.821381 2.356076 2.148545 1.959447 1.914828 1.780304 1.785603 2.441663 1.985137 1.951089 2.104089 1.996867 1.822240 2.528328 2.009555 1.986352 2.015599 1.996053 1.819513 2.467031 1.894932 1.805295 2.009772 2.040503 1.783798 3.260961 3.152773 3.232626 3.349044 1.689291 3.289466 1.006326 1.915870 0.995312 31 24 26 29 28 24 23 23 23 22 31 27 28 27 28 25 32 28 27 27 27 23 29 25 25 25 25 22 29 25 26 27 27 23 30 26 24 26 25 24 29 28 28 29 27 24 29 28 27 26 24 24 31 23 27 28 27 27 29 25 24 24 26 22 29 25 26 25 25 22 35 33 35 35 24 35 18 27 18 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 Ta As W Ta Ta Ta W Ta W Ta Ta W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.1186 2.4196 2.3823 2.1285 2.1079 2.1215 2.3583 2.1244 2.3361 2.1155 2.1156 2.2793 -1.0910 -1.0228 -1.1028 -1.1036 -1.0227 -0.9993 -0.9537 -1.0314 -0.8948 -1.0321 -0.9897 -1.0290 -0.9766 -1.0287 -1.0278 -0.9250 -1.0572 -1.0429 -1.0541 -1.0169 -1.0634 -1.0144 -1.0651 -0.8956 -0.9337 -1.0345 -1.0592 -1.0110 -1.0072 -0.9301 -0.9034 -1.0117 -1.0026 -1.0096 -0.9193 -1.0070 -0.9294 -1.0093 -1.0073 0.3030 0.3054 2.1357 0.8667 2.1156 2.1293 2.1423 2.1278 2.1215 2.1423 2.1453 2.1324 2.1383 2.1427 1.9380 1.9466 1.9371 1.9345 1.9205 1.9258 1.9336 1.9198 1.9503 1.9193 1.9264 1.9195 1.9267 1.9188 1.9199 1.8691 1.9237 1.9303 1.9266 1.9317 1.9231 1.9312 1.9235 1.9421 1.8629 1.9288 1.9245 1.9322 1.9311 1.9430 1.9469 1.9304 1.9304 1.9311 1.9446 1.9311 1.9417 1.9310 1.9314 0.5349 0.5570 6.1014 1.1709 6.1027 6.0944 6.1014 6.0945 6.1029 6.1015 6.1017 6.0973 6.1025 6.1322 5.1198 5.0412 5.1304 5.1346 5.0788 5.0469 4.9917 5.0879 4.9128 5.0896 5.0356 5.0858 5.0221 5.0857 5.0842 5.0289 5.1092 5.0860 5.1034 5.0578 5.1166 5.0558 5.1181 4.9248 5.0454 5.0803 5.1109 5.0515 5.0530 4.9588 4.9268 5.0584 5.0490 5.0555 4.9458 5.0531 4.9595 5.0553 5.0527 0.1621 0.1376 2.6095 10.5427 3.3695 2.6130 2.6143 2.6215 3.3872 2.5970 3.3877 2.6201 2.6090 3.4164 0.0332 0.0350 0.0353 0.0345 0.0235 0.0266 0.0284 0.0237 0.0317 0.0232 0.0277 0.0236 0.0278 0.0242 0.0237 0.0270 0.0242 0.0266 0.0241 0.0273 0.0237 0.0274 0.0235 0.0287 0.0254 0.0254 0.0238 0.0273 0.0231 0.0284 0.0297 0.0229 0.0232 0.0231 0.0289 0.0228 0.0282 0.0230 0.0232 0.0000 0.0000 14.0348 0.0000 14.0300 14.0349 14.0340 14.0347 14.0300 14.0348 14.0293 14.0347 14.0346 14.0294 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 Ta As W Ta Ta Ta W Ta W Ta Ta W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.354178 2.305173 2.496309 2.352013 2.350413 2.345754 2.482294 2.370888 2.491827 2.347158 2.350224 2.461154 -1.098928 -1.029284 -1.086964 -1.097248 -1.082754 -1.038296 -1.002771 -1.086501 -0.879893 -1.090468 -1.009132 -1.086733 -1.014825 -1.082691 -1.084420 -0.699556 -1.099687 -1.053101 -1.085724 -1.050110 -1.106056 -1.033491 -1.106707 -0.961150 -0.756944 -1.066698 -1.094690 -1.041526 -1.122304 -1.008162 -0.968216 -1.128058 -1.119369 -1.123483 -0.990321 -1.116522 -0.997845 -1.124280 -1.121289 0.014157 0.024655 1.826028 1.750797 1.921973 1.822497 1.862268 1.818332 1.915009 1.860284 1.940574 1.822283 1.828458 1.905573 -0.692778 -0.657271 -0.679032 -0.688051 -0.824094 -0.809173 -0.758339 -0.846540 -0.796216 -0.839101 -0.726475 -0.851303 -0.760967 -0.825522 -0.826016 -0.945347 -0.932963 -0.891283 -0.916128 -0.909404 -0.942331 -0.872514 -0.951142 -0.892061 -1.009583 -0.915321 -0.927299 -0.900009 -1.095633 -0.949345 -0.906270 -1.100718 -1.072838 -1.092640 -0.928199 -1.072896 -0.943589 -1.093382 -1.094206 0.302341 0.359563 1.964881 1.669528 2.038795 1.960976 1.967851 1.952975 2.031192 1.972112 2.043445 1.958381 1.970061 2.021749 -0.783573 -0.740938 -0.767632 -0.782271 -0.923629 -0.900158 -0.830854 -0.934662 -0.832355 -0.934138 -0.823489 -0.935694 -0.843686 -0.936482 -0.917453 -0.948244 -0.980693 -0.918989 -0.967961 -0.933916 -0.990770 -0.916568 -0.994123 -0.871621 -0.976907 -0.947769 -0.972399 -0.918048 -1.060060 -0.917902 -0.873164 -1.068910 -1.048974 -1.063259 -0.891576 -1.057907 -0.927872 -1.061878 -1.060541 0.342845 0.362276 -1.56436200 0.53858325 -18.42247143 18.49661466 -30.09135683 -22.36553712 -4.58546244 12.49532926 20.15481066 17.59602757 -350.7606 418.5541 69.7727 -447.3866 -170.4831 -480.3035 Jun21-2024 08:54:57 Nodes: 1 Procs: 1 Jun21-2024 08:54:59 Nodes: 1 Procs: 1 0 Jun21-2024 08:55:02 Nodes: 1 Procs: 1 Jun21-2024 08:55:05 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:55:08 Nodes: 1 Procs: 1 Jun21-2024 08:55:10 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:55:14 Nodes: 1 Procs: 1 Jun21-2024 08:55:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:55:19 Nodes: 1 Procs: 1 Jun21-2024 08:55:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 08:55:27 Nodes: 1 Procs: 5 *** (NO TITLE) *** -12 -17.23386185 -17.48944332 -17.56369539 -17.59206865 -17.59383289 -17.60391304 -17.60157845 -17.60756035 -17.61211363 -17.61824637 -17.62660085 -17.63310948 -17.63471487 -17.63707739 -17.64018043 -17.64158823 -17.64314947 -17.64492498 -17.64332794 -17.64583279 -17.64714800 -17.64823715 -17.64896778 -17.64963154 -17.65022167 -17.65035465 -17.65056070 -17.65061041 -17.65071809 -17.65071744 -17.65071857 -17.65072412 -17.65078752 -17.65079797 -17.65080565 -17.65081119 -17.65081557 -17.65081877 -17.65082086 -17.65082204 -17.65082241 -17.65082222 -17.65082109 -17.65082014 -17.65081897 -17.65081847 -17.65081879 -17.65081936 -17.65081974 -17.65082164 -17.65082342 -17.65082551 -17.65082563 -17.65082815 -17.65082696 -17.65082506 -17.65081582 -17.65081570 -17.65081810 -17.65082297 -17.65082700 -17.65082872 GEOMETRY CONVERGED