ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 0.87 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 1.39 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:54 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.07 0.05 1.41 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Jun10-2024 15:28:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:07 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.04 2.21 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Jun10-2024 15:28:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:07 Nodes: 1 Procs: 1 Jun10-2024 15:29:12 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:18 Hydrogen (TZP) c11-3 c11-3 c11-3 c11-3 c11-3 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 0.96 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Jun10-2024 15:28:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:07 Nodes: 1 Procs: 1 Jun10-2024 15:29:12 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:18 Nodes: 1 Procs: 1 Jun10-2024 15:29:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:28 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 1833.9611999999977 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0.3188069E+03 3,-3 18 3 -3 3.197734 -0.895261 -0.016566 Rho 0.3189289E+03 3,-3 19 3 -3 -2.179040 2.244726 1.571200 Rho 0.3187303E+03 3,-3 20 3 -3 0.995475 -3.321204 -0.005355 Rho 0.3189250E+03 3,-3 21 3 -3 0.082753 1.748746 2.946495 Rho 0.3189017E+03 3,-3 22 3 -3 -1.239793 -3.113039 -1.360165 Rho 0.3187923E+03 3,-3 23 3 -3 2.904100 1.288669 1.300585 Rho 0.3189098E+03 3,-3 24 3 -3 -1.845784 -0.269105 -3.200769 Rho 0.3194295E+03 3,-3 25 3 -3 2.050738 -0.164640 -3.442260 Rho 0.3191646E+03 3,-3 26 3 -3 -0.905567 4.429926 -2.810874 Rho 0.3194272E+03 3,-3 27 3 -3 1.374619 3.514885 -1.359227 Rho 0.3190239E+03 3,-3 28 3 -3 0.180113 -2.083770 3.522796 Rho 0.3189614E+03 3,-3 29 3 -3 2.479553 -2.433512 -2.087130 Rho 0.3190569E+03 3,-3 30 3 -3 -0.860090 3.999418 0.004025 Rho 0.3190159E+03 3,-3 31 3 -3 2.431598 -2.433110 2.074661 Rho 0.3189821E+03 3,-3 32 3 -3 0.684616 -4.677868 2.518921 Rho 0.3192387E+03 3,-3 33 3 -3 2.049617 -0.102569 3.412430 Rho 0.3190287E+03 3,-3 34 3 -3 0.173617 -2.121527 -3.481634 Rho 0.3190790E+03 3,-3 35 3 -3 1.383246 3.541976 1.334928 Rho 0.3189474E+03 3,-3 36 3 -3 0.856012 -4.696130 -2.538458 Rho 0.3193997E+03 3,-3 37 3 -3 4.665978 -0.657542 -2.493311 Rho 0.3193947E+03 3,-3 38 3 -3 -0.888999 4.422196 2.812287 Rho 0.3192921E+03 3,-3 39 3 -3 4.634473 -0.727587 2.472609 Rho 0.3192524E+03 3,-3 40 3 -3 -0.461905 3.115241 1.739443 Rho 0.4361414E+07 3,-3 41 3 -3 2.979778 -0.660087 1.904859 Rho 0.4361415E+07 3,-3 42 3 -3 2.477625 2.562457 0.005637 Rho 0.4361414E+07 3,-3 43 3 -3 0.434708 -3.069368 1.857875 Rho 0.4361415E+07 3,-3 44 3 -3 -0.264986 -0.027667 -0.004161 Rho 0.4276097E+05 3,-3 45 3 -3 -2.190535 1.363494 1.083013 Rho 0.4286344E+00 3,-3 46 3 -3 -2.181357 1.350213 -1.082068 Rho 0.4284929E+00 3,-3 47 3 -3 -1.352265 -3.068219 -0.358933 Rho 0.4334908E+00 3,-3 48 3 -1 -1.956142 0.936271 -2.345721 Rho 0.8818051E-02 |GRAD(Rho)| 0.7699125E-17 GRAD(Rho)x 0.2140363E-17 GRAD(Rho)y -0.7201796E-17 GRAD(Rho)z -0.1682114E-17 Laplacian 0.3492527E-01 (-1/4)Del**2(Rho)) -0.8731318E-02 Diamond 0.2135569E-02 Metallicity 0.7426104E+00 Ellipticity 0.2217603E+00 Gb(Abramov) 0.6901540E-02 Vb(Abramov) -0.5071762E-02 Hb(Abramov) 0.1829778E-02 Ex_ueg -0.1345494E-02 Ec_ueg -0.3147468E-03 Delta_ex -0.2114885E-02 Delta_ec 0.1400597E-02 Delta_et -0.8901972E-02 Pxc 0.4274846E+01 Qxc -0.1509988E+01 3,-1 49 3 -1 -1.737128 -0.009086 -1.639731 Rho 0.6352438E-02 |GRAD(Rho)| 0.1229667E-14 GRAD(Rho)x 0.1105158E-14 GRAD(Rho)y 0.5052825E-16 GRAD(Rho)z 0.5367996E-15 Laplacian 0.2354339E-01 (-1/4)Del**2(Rho)) -0.5885847E-02 Diamond 0.8202076E-03 Metallicity 0.6377420E+00 Ellipticity 0.4903942E+00 Gb(Abramov) 0.4549506E-02 Vb(Abramov) -0.3213166E-02 Hb(Abramov) 0.1336340E-02 Ex_ueg -0.8689051E-03 Ec_ueg -0.2055701E-03 Delta_ex -0.1269117E-02 Delta_ec 0.8167163E-03 Delta_et -0.4735810E-02 Pxc 0.4226807E+01 Qxc -0.1553927E+01 3,-1 50 3 -1 -1.721678 0.033255 1.654981 Rho 0.6052848E-02 |GRAD(Rho)| 0.2956723E-16 GRAD(Rho)x 0.2791340E-16 GRAD(Rho)y -0.6818909E-17 GRAD(Rho)z -0.6968868E-17 Laplacian 0.2229160E-01 (-1/4)Del**2(Rho)) -0.5572900E-02 Diamond 0.7267877E-03 Metallicity 0.6214481E+00 Ellipticity 0.6613160E+00 Gb(Abramov) 0.4292478E-02 Vb(Abramov) -0.3012056E-02 Hb(Abramov) 0.1280422E-02 Ex_ueg -0.8147007E-03 Ec_ueg -0.1924988E-03 Delta_ex -0.1189834E-02 Delta_ec 0.7720792E-03 Delta_et -0.4412578E-02 Pxc 0.4232238E+01 Qxc -0.1541077E+01 3,-1 51 3 +1 -1.470983 1.163929 2.497176 Rho 0.7699003E-02 |GRAD(Rho)| 0.1893184E-16 GRAD(Rho)x -0.1329183E-16 GRAD(Rho)y 0.8577318E-17 GRAD(Rho)z -0.1040055E-16 Laplacian 0.3488822E-01 (-1/4)Del**2(Rho)) -0.8722056E-02 Diamond 0.1004233E-02 Metallicity 0.5929140E+00 Ellipticity -0.1476944E+01 Gb(Abramov) 0.6676609E-02 Vb(Abramov) -0.4631162E-02 Hb(Abramov) 0.2045447E-02 Ex_ueg -0.1122788E-02 Ec_ueg -0.2648491E-03 Delta_ex -0.1655091E-02 Delta_ec 0.6785336E-03 Delta_et -0.4349939E-02 Pxc 0.4239349E+01 Qxc -0.2439217E+01 3,+1 52 3 -1 -1.939026 0.978521 2.362011 Rho 0.8923702E-02 |GRAD(Rho)| 0.5572074E-17 GRAD(Rho)x 0.1839487E-17 GRAD(Rho)y -0.8422718E-18 GRAD(Rho)z -0.5191809E-17 Laplacian 0.3557607E-01 (-1/4)Del**2(Rho)) -0.8894018E-02 Diamond 0.2242635E-02 Metallicity 0.7436415E+00 Ellipticity 0.2250867E+00 Gb(Abramov) 0.7031672E-02 Vb(Abramov) -0.5169326E-02 Hb(Abramov) 0.1862346E-02 Ex_ueg -0.1367031E-02 Ec_ueg -0.3194866E-03 Delta_ex -0.2173012E-02 Delta_ec 0.1451272E-02 Delta_et -0.9250607E-02 Pxc 0.4278838E+01 Qxc -0.1497315E+01 3,-1 53 3 +1 -1.848536 0.321374 -1.707448 Rho 0.6142736E-02 |GRAD(Rho)| 0.7607934E-17 GRAD(Rho)x -0.7360432E-17 GRAD(Rho)y -0.1727807E-17 GRAD(Rho)z 0.8481697E-18 Laplacian 0.2302779E-01 (-1/4)Del**2(Rho)) -0.5756947E-02 Diamond 0.5603614E-03 Metallicity 0.6165440E+00 Ellipticity -0.2064945E+01 Gb(Abramov) 0.4429533E-02 Vb(Abramov) -0.3102119E-02 Hb(Abramov) 0.1327414E-02 Ex_ueg -0.8308722E-03 Ec_ueg -0.1964161E-03 Delta_ex -0.1087618E-02 Delta_ec 0.5386975E-03 Delta_et -0.3184959E-02 Pxc 0.4230164E+01 Qxc -0.2018977E+01 3,+1 54 3 -1 -2.071173 0.929921 -0.722634 Rho 0.4612988E-01 |GRAD(Rho)| 0.7749323E-16 GRAD(Rho)x 0.2539217E-16 GRAD(Rho)y -0.1000758E-16 GRAD(Rho)z 0.7252783E-16 Laplacian 0.1200444E+00 (-1/4)Del**2(Rho)) -0.3001111E-01 Diamond 0.8317758E-01 Metallicity 0.3405977E+01 Ellipticity 0.1747156E-02 Gb(Abramov) 0.3704360E-01 Vb(Abramov) -0.4407608E-01 Hb(Abramov) -0.7032487E-02 Ex_ueg -0.1221879E-01 Ec_ueg -0.2202092E-02 Delta_ex -0.1105751E-01 Delta_ec 0.6032483E-02 Delta_et -0.6281502E-01 Pxc 0.5548719E+01 Qxc -0.1832995E+01 3,-1 55 3 +1 0.066691 0.956837 -1.524643 Rho 0.8798300E-02 |GRAD(Rho)| 0.8221178E-14 GRAD(Rho)x 0.1865043E-14 GRAD(Rho)y -0.7370318E-14 GRAD(Rho)z 0.3128545E-14 Laplacian 0.3395420E-01 (-1/4)Del**2(Rho)) -0.8488550E-02 Diamond 0.9121813E-03 Metallicity 0.7609994E+00 Ellipticity -0.1433545E+01 Gb(Abramov) 0.6735663E-02 Vb(Abramov) -0.4982777E-02 Hb(Abramov) 0.1752886E-02 Ex_ueg -0.1341478E-02 Ec_ueg -0.3138613E-03 Delta_ex -0.1549152E-02 Delta_ec 0.4581600E-03 Delta_et -0.3165734E-02 Pxc 0.4274109E+01 Qxc -0.3381246E+01 3,+1 56 3 +3 -1.517905 2.075833 -0.007879 Rho 0.6392317E-02 |GRAD(Rho)| 0.1342850E-16 GRAD(Rho)x 0.1192651E-16 GRAD(Rho)y -0.4909875E-17 GRAD(Rho)z -0.3738463E-17 Laplacian 0.2747583E-01 (-1/4)Del**2(Rho)) -0.6868956E-02 Diamond 0.3692646E-03 Metallicity 0.5521956E+00 Ellipticity -0.6338893E+00 Gb(Abramov) 0.5211472E-02 Vb(Abramov) -0.3553988E-02 Hb(Abramov) 0.1657484E-02 Ex_ueg -0.8761857E-03 Ec_ueg -0.2073133E-03 Delta_ex -0.1084019E-02 Delta_ec 0.2409827E-03 Delta_et -0.1652173E-02 Pxc 0.4226384E+01 Qxc -0.4498328E+01 3,+3 57 3 +1 -1.825033 0.314671 1.706629 Rho 0.5927889E-02 |GRAD(Rho)| 0.8301138E-17 GRAD(Rho)x 0.4227441E-17 GRAD(Rho)y 0.2054602E-17 GRAD(Rho)z -0.6842239E-17 Laplacian 0.2205362E-01 (-1/4)Del**2(Rho)) -0.5513405E-02 Diamond 0.5311700E-03 Metallicity 0.6066898E+00 Ellipticity -0.2242335E+01 Gb(Abramov) 0.4233091E-02 Vb(Abramov) -0.2952777E-02 Hb(Abramov) 0.1280314E-02 Ex_ueg -0.7923526E-03 Ec_ueg -0.1870596E-03 Delta_ex -0.1048139E-02 Delta_ec 0.5419172E-03 Delta_et -0.3157432E-02 Pxc 0.4235829E+01 Qxc -0.1934131E+01 3,+1 58 3 -1 -2.075791 0.938438 0.721860 Rho 0.4475225E-01 |GRAD(Rho)| 0.2510161E-13 GRAD(Rho)x -0.6741051E-14 GRAD(Rho)y -0.1369891E-13 GRAD(Rho)z -0.1992458E-13 Laplacian 0.1182168E+00 (-1/4)Del**2(Rho)) -0.2955421E-01 Diamond 0.7812526E-01 Metallicity 0.3288203E+01 Ellipticity 0.3697278E-03 Gb(Abramov) 0.3589951E-01 Vb(Abramov) -0.4224482E-01 Hb(Abramov) -0.6345304E-02 Ex_ueg -0.1173469E-01 Ec_ueg -0.2126919E-02 Delta_ex -0.1079218E-01 Delta_ec 0.5896820E-02 Delta_et -0.6085396E-01 Pxc 0.5517223E+01 Qxc -0.1830170E+01 3,-1 59 3 +1 -1.119690 1.451697 -0.693196 Rho 0.1182600E-01 |GRAD(Rho)| 0.1303870E-16 GRAD(Rho)x 0.8731685E-17 GRAD(Rho)y 0.8554735E-17 GRAD(Rho)z -0.4536718E-17 Laplacian 0.4730843E-01 (-1/4)Del**2(Rho)) -0.1182711E-01 Diamond 0.1969017E-02 Metallicity 0.8941376E+00 Ellipticity -0.1573773E+01 Gb(Abramov) 0.9647248E-02 Vb(Abramov) -0.7467389E-02 Hb(Abramov) 0.2179859E-02 Ex_ueg -0.1989919E-02 Ec_ueg -0.4515425E-03 Delta_ex -0.2349173E-02 Delta_ec 0.6724331E-03 Delta_et -0.4978932E-02 Pxc 0.4406938E+01 Qxc -0.3493543E+01 3,+1 60 3 +1 -1.501718 1.119431 -2.475722 Rho 0.7728304E-02 |GRAD(Rho)| 0.4065893E-12 GRAD(Rho)x 0.3879595E-12 GRAD(Rho)y -0.1001667E-12 GRAD(Rho)z -0.6905743E-13 Laplacian 0.3432723E-01 (-1/4)Del**2(Rho)) -0.8581808E-02 Diamond 0.9972193E-03 Metallicity 0.6064310E+00 Ellipticity -0.1509926E+01 Gb(Abramov) 0.6588584E-02 Vb(Abramov) -0.4595361E-02 Hb(Abramov) 0.1993224E-02 Ex_ueg -0.1128489E-02 Ec_ueg -0.2661484E-03 Delta_ex -0.1632026E-02 Delta_ec 0.6713647E-03 Delta_et -0.4306255E-02 Pxc 0.4240074E+01 Qxc -0.2430908E+01 3,+1 61 3 +1 -1.815107 2.450770 -0.008176 Rho 0.6832432E-02 |GRAD(Rho)| 0.7629094E-17 GRAD(Rho)x -0.2369734E-17 GRAD(Rho)y 0.1302101E-18 GRAD(Rho)z -0.7250551E-17 Laplacian 0.2941240E-01 (-1/4)Del**2(Rho)) -0.7353101E-02 Diamond 0.7296564E-03 Metallicity 0.5763790E+00 Ellipticity -0.1465596E+01 Gb(Abramov) 0.5608430E-02 Vb(Abramov) -0.3863758E-02 Hb(Abramov) 0.1744672E-02 Ex_ueg -0.9575294E-03 Ec_ueg -0.2266026E-03 Delta_ex -0.1362809E-02 Delta_ec 0.5823792E-03 Delta_et -0.3605055E-02 Pxc 0.4225590E+01 Qxc -0.2340071E+01 3,+1 62 3 -1 -2.185724 1.560022 1.191327 Rho 0.3069580E+00 |GRAD(Rho)| 0.6370872E-15 GRAD(Rho)x -0.4679403E-15 GRAD(Rho)y -0.2161332E-16 GRAD(Rho)z 0.4317926E-15 Laplacian -0.1536280E+01 (-1/4)Del**2(Rho)) 0.3840699E+00 Diamond 0.5229956E+01 Metallicity -0.6265289E+01 Ellipticity 0.1202960E-02 Gb(Abramov) 0.1450049E+00 Vb(Abramov) -0.6740797E+00 Hb(Abramov) -0.5290748E+00 Ex_ueg -0.1529292E+00 Ec_ueg -0.1919067E-01 Delta_ex 0.1500339E+00 Delta_ec 0.5444428E-01 Delta_et -0.1267474E+01 Pxc 0.7968933E+01 Qxc 0.2755733E+01 3,-1 63 3 +1 -1.140413 1.418104 0.694348 Rho 0.1222782E-01 |GRAD(Rho)| 0.2675365E-16 GRAD(Rho)x 0.2633728E-16 GRAD(Rho)y 0.1122365E-17 GRAD(Rho)z -0.4565736E-17 Laplacian 0.4937788E-01 (-1/4)Del**2(Rho)) -0.1234447E-01 Diamond 0.2053966E-02 Metallicity 0.9057237E+00 Ellipticity -0.1513735E+01 Gb(Abramov) 0.1009309E-01 Vb(Abramov) -0.7841716E-02 Hb(Abramov) 0.2251377E-02 Ex_ueg -0.2080577E-02 Ec_ueg -0.4700961E-03 Delta_ex -0.2445895E-02 Delta_ec 0.6528412E-03 Delta_et -0.4908705E-02 Pxc 0.4425854E+01 Qxc -0.3746538E+01 3,+1 64 3 -1 -1.364506 2.643556 -1.622028 Rho 0.1371907E+00 |GRAD(Rho)| 0.3623308E-15 GRAD(Rho)x -0.3446408E-15 GRAD(Rho)y -0.1107174E-15 GRAD(Rho)z -0.1574804E-16 Laplacian 0.5226562E+00 (-1/4)Del**2(Rho)) -0.1306640E+00 Diamond 0.9529868E+00 Metallicity 0.4811398E+01 Ellipticity 0.1028893E+00 Gb(Abramov) 0.1918888E+00 Vb(Abramov) -0.2531136E+00 Hb(Abramov) -0.6122477E-01 Ex_ueg -0.5225780E-01 Ec_ueg -0.7628644E-02 Delta_ex -0.5493435E-01 Delta_ec 0.1358490E-01 Delta_et -0.1785520E+00 Pxc 0.6850208E+01 Qxc -0.4043781E+01 3,-1 65 3 -1 -1.309326 -3.072161 0.201543 Rho 0.4625436E-01 |GRAD(Rho)| 0.4089323E-16 GRAD(Rho)x -0.3176176E-17 GRAD(Rho)y 0.6701225E-17 GRAD(Rho)z 0.4021519E-16 Laplacian 0.1244511E+00 (-1/4)Del**2(Rho)) -0.3111278E-01 Diamond 0.8780701E-01 Metallicity 0.3300164E+01 Ellipticity 0.7669823E-02 Gb(Abramov) 0.3785473E-01 Vb(Abramov) -0.4459668E-01 Hb(Abramov) -0.6741950E-02 Ex_ueg -0.1226277E-01 Ec_ueg -0.2208899E-02 Delta_ex -0.1153052E-01 Delta_ec 0.6361568E-02 Delta_et -0.6630808E-01 Pxc 0.5551530E+01 Qxc -0.1812529E+01 3,-1 66 3 +1 1.416000 0.635904 0.889941 Rho 0.6805167E-02 |GRAD(Rho)| 0.1729487E-15 GRAD(Rho)x 0.8691581E-16 GRAD(Rho)y 0.1366631E-15 GRAD(Rho)z -0.6066359E-16 Laplacian 0.2658543E-01 (-1/4)Del**2(Rho)) -0.6646357E-02 Diamond 0.5251013E-03 Metallicity 0.6334331E+00 Ellipticity -0.1371015E+01 Gb(Abramov) 0.5132575E-02 Vb(Abramov) -0.3618793E-02 Hb(Abramov) 0.1513782E-02 Ex_ueg -0.9524381E-03 Ec_ueg -0.2254049E-03 Delta_ex -0.1150123E-02 Delta_ec 0.3825629E-03 Delta_et -0.2453650E-02 Pxc 0.4225454E+01 Qxc -0.3006362E+01 3,+1 67 3 +3 -1.051564 0.683365 1.750483 Rho 0.4423029E-02 |GRAD(Rho)| 0.3774198E-17 GRAD(Rho)x -0.3558262E-18 GRAD(Rho)y -0.5335865E-18 GRAD(Rho)z 0.3719307E-17 Laplacian 0.1730900E-01 (-1/4)Del**2(Rho)) -0.4327249E-02 Diamond 0.1150876E-03 Metallicity 0.4744688E+00 Ellipticity -0.4121752E+00 Gb(Abramov) 0.3227023E-02 Vb(Abramov) -0.2126798E-02 Hb(Abramov) 0.1100226E-02 Ex_ueg -0.5362222E-03 Ec_ueg -0.1221685E-03 Delta_ex -0.5921666E-03 Delta_ec 0.1013957E-03 Delta_et -0.7121918E-03 Pxc 0.4389201E+01 Qxc -0.5840156E+01 3,+3 68 3 -1 -1.051537 -0.193775 -3.369401 Rho 0.2199685E+00 |GRAD(Rho)| 0.1567403E-14 GRAD(Rho)x -0.1520702E-14 GRAD(Rho)y -0.1158334E-15 GRAD(Rho)z 0.3616627E-15 Laplacian 0.8424898E+00 (-1/4)Del**2(Rho)) -0.2106225E+00 Diamond 0.2659998E+01 Metallicity 0.6556155E+01 Ellipticity 0.1714047E-01 Gb(Abramov) 0.3705606E+00 Vb(Abramov) -0.5304986E+00 Hb(Abramov) -0.1599381E+00 Ex_ueg -0.9806912E-01 Ec_ueg -0.1306539E-01 Delta_ex -0.9937274E-01 Delta_ec 0.1884305E-01 Delta_et -0.2590074E+00 Pxc 0.7506022E+01 Qxc -0.5273709E+01 3,-1 69 3 +1 -1.388061 -0.087862 -1.637427 Rho 0.6167232E-02 |GRAD(Rho)| 0.2909988E-15 GRAD(Rho)x -0.2865507E-15 GRAD(Rho)y 0.5027856E-16 GRAD(Rho)z -0.6410329E-17 Laplacian 0.2294812E-01 (-1/4)Del**2(Rho)) -0.5737030E-02 Diamond 0.5642181E-03 Metallicity 0.6228018E+00 Ellipticity -0.2156728E+01 Gb(Abramov) 0.4420192E-02 Vb(Abramov) -0.3103354E-02 Hb(Abramov) 0.1316838E-02 Ex_ueg -0.8352929E-03 Ec_ueg -0.1974843E-03 Delta_ex -0.1086753E-02 Delta_ec 0.5403279E-03 Delta_et -0.3196418E-02 Pxc 0.4229668E+01 Qxc -0.2011285E+01 3,+1 70 3 +1 -1.368082 -0.068301 1.649231 Rho 0.5871284E-02 |GRAD(Rho)| 0.1631068E-16 GRAD(Rho)x 0.1547647E-16 GRAD(Rho)y -0.3349835E-17 GRAD(Rho)z -0.3910996E-17 Laplacian 0.2180346E-01 (-1/4)Del**2(Rho)) -0.5450865E-02 Diamond 0.5113708E-03 Metallicity 0.6039155E+00 Ellipticity -0.2175320E+01 Gb(Abramov) 0.4182554E-02 Vb(Abramov) -0.2914242E-02 Hb(Abramov) 0.1268311E-02 Ex_ueg -0.7822804E-03 Ec_ueg -0.1845983E-03 Delta_ex -0.1028861E-02 Delta_ec 0.5263715E-03 Delta_et -0.3063086E-02 Pxc 0.4237746E+01 Qxc -0.1954628E+01 3,+1 71 3 +1 1.075046 -0.394070 2.489758 Rho 0.2320646E-01 |GRAD(Rho)| 0.1756288E-15 GRAD(Rho)x -0.1002833E-15 GRAD(Rho)y 0.3251046E-16 GRAD(Rho)z 0.1404700E-15 Laplacian 0.8919141E-01 (-1/4)Del**2(Rho)) -0.2229785E-01 Diamond 0.1041901E-01 Metallicity 0.1458719E+01 Ellipticity -0.3244003E+01 Gb(Abramov) 0.2028628E-01 Vb(Abramov) -0.1827472E-01 Hb(Abramov) 0.2011568E-02 Ex_ueg -0.4888739E-02 Ec_ueg -0.9988430E-03 Delta_ex -0.5425048E-02 Delta_ec 0.1489891E-02 Delta_et -0.1291955E-01 Pxc 0.4894402E+01 Qxc -0.3641239E+01 3,+1 72 3 +1 0.095129 0.884507 1.586963 Rho 0.8474091E-02 |GRAD(Rho)| 0.3290518E-15 GRAD(Rho)x 0.7425458E-16 GRAD(Rho)y -0.2624399E-15 GRAD(Rho)z -0.1840832E-15 Laplacian 0.3308466E-01 (-1/4)Del**2(Rho)) -0.8271165E-02 Diamond 0.8513814E-03 Metallicity 0.7336266E+00 Ellipticity -0.1415789E+01 Gb(Abramov) 0.6525434E-02 Vb(Abramov) -0.4779704E-02 Hb(Abramov) 0.1745731E-02 Ex_ueg -0.1275976E-02 Ec_ueg -0.2993501E-03 Delta_ex -0.1498276E-02 Delta_ec 0.4521085E-03 Delta_et -0.3089413E-02 Pxc 0.4262487E+01 Qxc -0.3313975E+01 3,+1 73 3 -1 -1.081418 0.002538 -0.001875 Rho 0.1924494E+00 |GRAD(Rho)| 0.7307780E-16 GRAD(Rho)x -0.4857226E-16 GRAD(Rho)y 0.4336809E-17 GRAD(Rho)z -0.5442695E-16 Laplacian 0.5040027E+00 (-1/4)Del**2(Rho)) -0.1260007E+00 Diamond 0.1349954E+01 Metallicity 0.8770843E+01 Ellipticity 0.7066775E-02 Gb(Abramov) 0.2681892E+00 Vb(Abramov) -0.4103776E+00 Hb(Abramov) -0.1421885E+00 Ex_ueg -0.8206171E-01 Ec_ueg -0.1121433E-01 Delta_ex -0.5740352E-01 Delta_ec 0.1163585E-01 Delta_et -0.1582833E+00 Pxc 0.7317578E+01 Qxc -0.4933335E+01 3,-1 74 3 -1 -0.994642 -0.164675 3.416265 Rho 0.2182708E+00 |GRAD(Rho)| 0.3587369E-15 GRAD(Rho)x 0.3514983E-15 GRAD(Rho)y 0.1670688E-16 GRAD(Rho)z 0.6972775E-16 Laplacian 0.8372824E+00 (-1/4)Del**2(Rho)) -0.2093206E+00 Diamond 0.2613524E+01 Metallicity 0.6512293E+01 Ellipticity 0.2151458E-01 Gb(Abramov) 0.3667399E+00 Vb(Abramov) -0.5241592E+00 Hb(Abramov) -0.1574193E+00 Ex_ueg -0.9706125E-01 Ec_ueg -0.1294998E-01 Delta_ex -0.9852726E-01 Delta_ec 0.1870874E-01 Delta_et -0.2568217E+00 Pxc 0.7495087E+01 Qxc -0.5266377E+01 3,-1 75 3 +1 1.423089 0.684942 -0.896460 Rho 0.6523082E-02 |GRAD(Rho)| 0.1276160E-13 GRAD(Rho)x -0.4154589E-14 GRAD(Rho)y 0.1070131E-13 GRAD(Rho)z 0.5574925E-14 Laplacian 0.2527139E-01 (-1/4)Del**2(Rho)) -0.6317847E-02 Diamond 0.4787302E-03 Metallicity 0.6209722E+00 Ellipticity -0.1379522E+01 Gb(Abramov) 0.4865765E-02 Vb(Abramov) -0.3413684E-02 Hb(Abramov) 0.1452081E-02 Ex_ueg -0.9001651E-03 Ec_ueg -0.2130348E-03 Delta_ex -0.1086807E-02 Delta_ec 0.3723354E-03 Delta_et -0.2354263E-02 Pxc 0.4225437E+01 Qxc -0.2918892E+01 3,+1 76 3 +3 -1.090359 0.675308 -1.745114 Rho 0.4688787E-02 |GRAD(Rho)| 0.1622936E-15 GRAD(Rho)x 0.1205921E-15 GRAD(Rho)y -0.1085350E-15 GRAD(Rho)z 0.4112944E-17 Laplacian 0.1814876E-01 (-1/4)Del**2(Rho)) -0.4537190E-02 Diamond 0.1309256E-03 Metallicity 0.4987317E+00 Ellipticity -0.4879424E+00 Gb(Abramov) 0.3401934E-02 Vb(Abramov) -0.2266677E-02 Hb(Abramov) 0.1135257E-02 Ex_ueg -0.5796053E-03 Ec_ueg -0.1335447E-03 Delta_ex -0.6309963E-03 Delta_ec 0.1067876E-03 Delta_et -0.7579680E-03 Pxc 0.4340160E+01 Qxc -0.5908892E+01 3,+3 77 3 -1 -0.676114 3.583393 -0.795224 Rho 0.1352921E+00 |GRAD(Rho)| 0.9851816E-13 GRAD(Rho)x -0.9134438E-13 GRAD(Rho)y 0.7227251E-14 GRAD(Rho)z 0.3619113E-13 Laplacian 0.5207666E+00 (-1/4)Del**2(Rho)) -0.1301917E+00 Diamond 0.9245134E+00 Metallicity 0.4717994E+01 Ellipticity 0.5597851E-01 Gb(Abramov) 0.1891683E+00 Vb(Abramov) -0.2481450E+00 Hb(Abramov) -0.5897668E-01 Ex_ueg -0.5129578E-01 Ec_ueg -0.7508752E-02 Delta_ex -0.5444518E-01 Delta_ec 0.1339238E-01 Delta_et -0.1752671E+00 Pxc 0.6831465E+01 Qxc -0.4065386E+01 3,-1 78 3 -1 -0.666154 3.566746 0.811637 Rho 0.1284322E+00 |GRAD(Rho)| 0.4521853E-15 GRAD(Rho)x 0.6131163E-16 GRAD(Rho)y -0.5954303E-16 GRAD(Rho)z 0.4440350E-15 Laplacian 0.4995241E+00 (-1/4)Del**2(Rho)) -0.1248810E+00 Diamond 0.8430106E+00 Metallicity 0.4510036E+01 Ellipticity 0.3381294E-01 Gb(Abramov) 0.1771237E+00 Vb(Abramov) -0.2293663E+00 Hb(Abramov) -0.5224263E-01 Ex_ueg -0.4785753E-01 Ec_ueg -0.7077518E-02 Delta_ex -0.5169233E-01 Delta_ec 0.1322597E-01 Delta_et -0.1720783E+00 Pxc 0.6761909E+01 Qxc -0.3908398E+01 3,-1 79 3 -1 -0.709977 3.837965 -2.296436 Rho 0.2288336E+00 |GRAD(Rho)| 0.1095354E-13 GRAD(Rho)x -0.9903889E-14 GRAD(Rho)y 0.1517341E-14 GRAD(Rho)z -0.4426147E-14 Laplacian 0.8362014E+00 (-1/4)Del**2(Rho)) -0.2090503E+00 Diamond 0.2793858E+01 Metallicity 0.7055082E+01 Ellipticity 0.3867219E-02 Gb(Abramov) 0.3851781E+00 Vb(Abramov) -0.5613059E+00 Hb(Abramov) -0.1761278E+00 Ex_ueg -0.1033741E+00 Ec_ueg -0.1367063E-01 Delta_ex -0.9979116E-01 Delta_ec 0.1874483E-01 Delta_et -0.2592022E+00 Pxc 0.7561762E+01 Qxc -0.5323662E+01 3,-1 80 3 -1 -0.692526 3.821632 2.318118 Rho 0.2391535E+00 |GRAD(Rho)| 0.1699458E-13 GRAD(Rho)x -0.5841681E-14 GRAD(Rho)y 0.1520051E-13 GRAD(Rho)z -0.4861563E-14 Laplacian 0.8926739E+00 (-1/4)Del**2(Rho)) -0.2231685E+00 Diamond 0.3125147E+01 Metallicity 0.7112923E+01 Ellipticity 0.6209115E-02 Gb(Abramov) 0.4133423E+00 Vb(Abramov) -0.6035162E+00 Hb(Abramov) -0.1901739E+00 Ex_ueg -0.1096362E+00 Ec_ueg -0.1438061E-01 Delta_ex -0.1076543E+00 Delta_ec 0.1956309E-01 Delta_et -0.2701696E+00 Pxc 0.7623888E+01 Qxc -0.5502928E+01 3,-1 81 3 -1 -0.106006 2.332073 0.865821 Rho 0.5129758E-01 |GRAD(Rho)| 0.5238725E-10 GRAD(Rho)x -0.4065926E-11 GRAD(Rho)y 0.4452408E-10 GRAD(Rho)z 0.2730382E-10 Laplacian 0.1999188E+00 (-1/4)Del**2(Rho)) -0.4997971E-01 Diamond 0.1029841E+00 Metallicity 0.2441111E+01 Ellipticity 0.1293097E-01 Gb(Abramov) 0.5365414E-01 Vb(Abramov) -0.5732858E-01 Hb(Abramov) -0.3674435E-02 Ex_ueg -0.1407713E-01 Ec_ueg -0.2486724E-02 Delta_ex -0.1648110E-01 Delta_ec 0.5810461E-02 Delta_et -0.6163602E-01 Pxc 0.5660915E+01 Qxc -0.2836453E+01 3,-1 82 3 -1 -0.118044 2.359158 -0.823653 Rho 0.4288981E-01 |GRAD(Rho)| 0.5746416E-16 GRAD(Rho)x 0.1789145E-16 GRAD(Rho)y -0.5113093E-16 GRAD(Rho)z 0.1917428E-16 Laplacian 0.1720601E+00 (-1/4)Del**2(Rho)) -0.4301502E-01 Diamond 0.7104203E-01 Metallicity 0.2104698E+01 Ellipticity 0.1160184E-01 Gb(Abramov) 0.4376562E-01 Vb(Abramov) -0.4451622E-01 Hb(Abramov) -0.7506001E-03 Ex_ueg -0.1108810E-01 Ec_ueg -0.2025792E-02 Delta_ex -0.1364163E-01 Delta_ec 0.5154809E-02 Delta_et -0.5220161E-01 Pxc 0.5473464E+01 Qxc -0.2646390E+01 3,-1 83 3 +1 -0.446891 -3.147347 0.018193 Rho 0.1502405E-01 |GRAD(Rho)| 0.4590336E-13 GRAD(Rho)x -0.3239581E-13 GRAD(Rho)y 0.3134130E-13 GRAD(Rho)z 0.8680591E-14 Laplacian 0.6986853E-01 (-1/4)Del**2(Rho)) -0.1746713E-01 Diamond 0.3934386E-02 Metallicity 0.9022149E+00 Ellipticity -0.1458515E+01 Gb(Abramov) 0.1427127E-01 Vb(Abramov) -0.1107541E-01 Hb(Abramov) 0.3195860E-02 Ex_ueg -0.2738007E-02 Ec_ueg -0.6009095E-03 Delta_ex -0.3672101E-02 Delta_ec 0.9535712E-03 Delta_et -0.7518444E-02 Pxc 0.4556437E+01 Qxc -0.3850893E+01 3,+1 84 3 -1 0.999501 -0.137734 -3.484147 Rho 0.7228353E-01 |GRAD(Rho)| 0.4460943E-16 GRAD(Rho)x -0.6264656E-17 GRAD(Rho)y -0.4198372E-17 GRAD(Rho)z -0.4396736E-16 Laplacian 0.2905408E+00 (-1/4)Del**2(Rho)) -0.7263519E-01 Diamond 0.2419137E+00 Metallicity 0.2974896E+01 Ellipticity 0.8039240E-02 Gb(Abramov) 0.8443714E-01 Vb(Abramov) -0.9623910E-01 Hb(Abramov) -0.1180195E-01 Ex_ueg -0.2223844E-01 Ec_ueg -0.3679376E-02 Delta_ex -0.2624208E-01 Delta_ec 0.8576833E-02 Delta_et -0.9923735E-01 Pxc 0.6044078E+01 Qxc -0.3059647E+01 3,-1 85 3 -1 -0.114739 0.002987 -4.498296 Rho 0.2187173E+00 |GRAD(Rho)| 0.1467965E-15 GRAD(Rho)x 0.1455033E-16 GRAD(Rho)y 0.2398797E-16 GRAD(Rho)z -0.1440905E-15 Laplacian 0.8096683E+00 (-1/4)Del**2(Rho)) -0.2024171E+00 Diamond 0.2561919E+01 Metallicity 0.6757373E+01 Ellipticity 0.1658347E-01 Gb(Abramov) 0.3629127E+00 Vb(Abramov) -0.5234083E+00 Hb(Abramov) -0.1604956E+00 Ex_ueg -0.9732608E-01 Ec_ueg -0.1298032E-01 Delta_ex -0.9549914E-01 Delta_ec 0.1838629E-01 Delta_et -0.2536373E+00 Pxc 0.7497971E+01 Qxc -0.5194041E+01 3,-1 86 3 -1 0.518599 3.326769 1.512085 Rho 0.1454839E+00 |GRAD(Rho)| 0.7760143E-13 GRAD(Rho)x -0.5271811E-13 GRAD(Rho)y 0.2386423E-13 GRAD(Rho)z -0.5170379E-13 Laplacian 0.5721847E+00 (-1/4)Del**2(Rho)) -0.1430462E+00 Diamond 0.1121043E+01 Metallicity 0.4846579E+01 Ellipticity 0.3752760E-01 Gb(Abramov) 0.2109116E+00 Vb(Abramov) -0.2787769E+00 Hb(Abramov) -0.6786537E-01 Ex_ueg -0.5651171E-01 Ec_ueg -0.8155050E-02 Delta_ex -0.6102255E-01 Delta_ec 0.1468920E-01 Delta_et -0.1948324E+00 Pxc 0.6929658E+01 Qxc -0.4154245E+01 3,-1 87 3 -1 0.169443 -0.396879 -2.432703 Rho 0.5018437E-01 |GRAD(Rho)| 0.7147547E-16 GRAD(Rho)x 0.5148690E-17 GRAD(Rho)y -0.2235129E-16 GRAD(Rho)z 0.6769530E-16 Laplacian 0.1988570E+00 (-1/4)Del**2(Rho)) -0.4971425E-01 Diamond 0.1038941E+00 Metallicity 0.2366027E+01 Ellipticity 0.1737166E-01 Gb(Abramov) 0.5274704E-01 Vb(Abramov) -0.5577984E-01 Hb(Abramov) -0.3032796E-02 Ex_ueg -0.1367130E-01 Ec_ueg -0.2425068E-02 Delta_ex -0.1649434E-01 Delta_ec 0.6122732E-02 Delta_et -0.6468194E-01 Pxc 0.5637490E+01 Qxc -0.2693952E+01 3,-1 88 3 -1 -0.067975 0.009057 4.559209 Rho 0.2205502E+00 |GRAD(Rho)| 0.1098047E-14 GRAD(Rho)x -0.2252430E-16 GRAD(Rho)y -0.1646768E-15 GRAD(Rho)z -0.1085395E-14 Laplacian 0.8081202E+00 (-1/4)Del**2(Rho)) -0.2020301E+00 Diamond 0.2587784E+01 Metallicity 0.6865144E+01 Ellipticity 0.1703571E-01 Gb(Abramov) 0.3658476E+00 Vb(Abramov) -0.5296651E+00 Hb(Abramov) -0.1638175E+00 Ex_ueg -0.9841509E-01 Ec_ueg -0.1310498E-01 Delta_ex -0.9555198E-01 Delta_ec 0.1836042E-01 Delta_et -0.2536104E+00 Pxc 0.7509749E+01 Qxc -0.5204237E+01 3,-1 89 3 +1 0.762281 2.557109 -0.686410 Rho 0.2714738E-01 |GRAD(Rho)| 0.4445137E-16 GRAD(Rho)x -0.4000500E-16 GRAD(Rho)y 0.1472236E-16 GRAD(Rho)z -0.1260065E-16 Laplacian 0.1093684E+00 (-1/4)Del**2(Rho)) -0.2734210E-01 Diamond 0.1752758E-01 Metallicity 0.1545021E+01 Ellipticity -0.8575798E+01 Gb(Abramov) 0.2526875E-01 Vb(Abramov) -0.2319541E-01 Hb(Abramov) 0.2073345E-02 Ex_ueg -0.6025904E-02 Ec_ueg -0.1197427E-02 Delta_ex -0.7100297E-02 Delta_ec 0.2117276E-02 Delta_et -0.1902280E-01 Pxc 0.5032375E+01 Qxc -0.3353506E+01 3,+1 90 3 -1 -0.039749 0.848400 -3.218807 Rho 0.1357585E+00 |GRAD(Rho)| 0.2335243E-15 GRAD(Rho)x 0.1214645E-16 GRAD(Rho)y -0.2059578E-15 GRAD(Rho)z -0.1093960E-15 Laplacian 0.5519134E+00 (-1/4)Del**2(Rho)) -0.1379784E+00 Diamond 0.9835907E+00 Metallicity 0.4477345E+01 Ellipticity 0.1273096E-01 Gb(Abramov) 0.1949483E+00 Vb(Abramov) -0.2519183E+00 Hb(Abramov) -0.5696999E-01 Ex_ueg -0.5153169E-01 Ec_ueg -0.7538183E-02 Delta_ex -0.5774666E-01 Delta_ec 0.1417589E-01 Delta_et -0.1856075E+00 Pxc 0.6836089E+01 Qxc -0.4073582E+01 3,-1 91 3 +3 1.157382 1.024908 1.685299 Rho 0.4126648E-02 |GRAD(Rho)| 0.3973583E-17 GRAD(Rho)x -0.2768336E-17 GRAD(Rho)y 0.1242107E-17 GRAD(Rho)z 0.2565706E-17 Laplacian 0.1694520E-01 (-1/4)Del**2(Rho)) -0.4236300E-02 Diamond 0.1246480E-03 Metallicity 0.4317466E+00 Ellipticity -0.3535822E+00 Gb(Abramov) 0.3129035E-02 Vb(Abramov) -0.2021769E-02 Hb(Abramov) 0.1107265E-02 Ex_ueg -0.4888568E-03 Ec_ueg -0.1095247E-03 Delta_ex -0.5955923E-03 Delta_ec 0.1466674E-03 Delta_et -0.9108625E-03 Pxc 0.4463438E+01 Qxc -0.4060838E+01 3,+3 92 3 +1 0.597318 3.427185 -0.009585 Rho 0.1248752E-01 |GRAD(Rho)| 0.9922234E-17 GRAD(Rho)x -0.9369356E-18 GRAD(Rho)y 0.2251873E-17 GRAD(Rho)z 0.9617793E-17 Laplacian 0.5927388E-01 (-1/4)Del**2(Rho)) -0.1481847E-01 Diamond 0.1919020E-02 Metallicity 0.7814057E+00 Ellipticity -0.1084963E+01 Gb(Abramov) 0.1180885E-01 Vb(Abramov) -0.8799235E-02 Hb(Abramov) 0.3009617E-02 Ex_ueg -0.2139701E-02 Ec_ueg -0.4821209E-03 Delta_ex -0.2782856E-02 Delta_ec 0.4809758E-03 Delta_et -0.3858563E-02 Pxc 0.4438100E+01 Qxc -0.5785855E+01 3,+1 93 3 -1 0.030377 -1.156380 -3.503198 Rho 0.1053898E+00 |GRAD(Rho)| 0.1171811E-14 GRAD(Rho)x 0.2821806E-15 GRAD(Rho)y 0.1136827E-14 GRAD(Rho)z -0.3375342E-16 Laplacian 0.3967832E+00 (-1/4)Del**2(Rho)) -0.9919579E-01 Diamond 0.5296425E+00 Metallicity 0.4083736E+01 Ellipticity 0.2645939E-01 Gb(Abramov) 0.1336454E+00 Vb(Abramov) -0.1680951E+00 Hb(Abramov) -0.3444964E-01 Ex_ueg -0.3676630E-01 Ec_ueg -0.5652688E-02 Delta_ex -0.3920715E-01 Delta_ec 0.1104716E-01 Delta_et -0.1387906E+00 Pxc 0.6504214E+01 Qxc -0.3549069E+01 3,-1 94 3 +1 0.291818 -1.326997 -2.458114 Rho 0.2774289E-01 |GRAD(Rho)| 0.4011508E-16 GRAD(Rho)x -0.5971662E-17 GRAD(Rho)y -0.2606048E-16 GRAD(Rho)z -0.2990670E-16 Laplacian 0.1150358E+00 (-1/4)Del**2(Rho)) -0.2875895E-01 Diamond 0.1986617E-01 Metallicity 0.1522999E+01 Ellipticity -0.1768800E+02 Gb(Abramov) 0.2647261E-01 Vb(Abramov) -0.2418627E-01 Hb(Abramov) 0.2286343E-02 Ex_ueg -0.6202793E-02 Ec_ueg -0.1227782E-02 Delta_ex -0.7593472E-02 Delta_ec 0.2374240E-02 Delta_et -0.2142858E-01 Pxc 0.5052033E+01 Qxc -0.3198275E+01 3,+1 95 3 -1 0.060279 -1.151948 3.554064 Rho 0.1235556E+00 |GRAD(Rho)| 0.1960259E-14 GRAD(Rho)x -0.3329839E-15 GRAD(Rho)y 0.1899563E-14 GRAD(Rho)z 0.3512832E-15 Laplacian 0.4659802E+00 (-1/4)Del**2(Rho)) -0.1164950E+00 Diamond 0.7497720E+00 Metallicity 0.4532624E+01 Ellipticity 0.3982262E-01 Gb(Abramov) 0.1656681E+00 Vb(Abramov) -0.2148411E+00 Hb(Abramov) -0.4917303E-01 Ex_ueg -0.4545011E-01 Ec_ueg -0.6772864E-02 Delta_ex -0.4776421E-01 Delta_ec 0.1243090E-01 Delta_et -0.1606505E+00 Pxc 0.6710619E+01 Qxc -0.3842377E+01 3,-1 96 3 +1 1.445480 -1.477750 -2.864397 Rho 0.1148415E-01 |GRAD(Rho)| 0.1740394E-11 GRAD(Rho)x 0.7635137E-12 GRAD(Rho)y 0.1544706E-11 GRAD(Rho)z 0.2447465E-12 Laplacian 0.5300038E-01 (-1/4)Del**2(Rho)) -0.1325010E-01 Diamond 0.1716705E-02 Metallicity 0.7600330E+00 Ellipticity -0.1184928E+01 Gb(Abramov) 0.1051182E-01 Vb(Abramov) -0.7773535E-02 Hb(Abramov) 0.2738280E-02 Ex_ueg -0.1913596E-02 Ec_ueg -0.4358084E-03 Delta_ex -0.2488557E-02 Delta_ec 0.5331900E-03 Delta_et -0.4076849E-02 Pxc 0.4390913E+01 Qxc -0.4667298E+01 3,+1 97 3 +1 0.539596 -1.757334 -0.037555 Rho 0.7983763E-02 |GRAD(Rho)| 0.1840224E-16 GRAD(Rho)x -0.4604155E-17 GRAD(Rho)y -0.4262799E-17 GRAD(Rho)z 0.1729950E-16 Laplacian 0.3157518E-01 (-1/4)Del**2(Rho)) -0.7893796E-02 Diamond 0.7573384E-03 Metallicity 0.6960066E+00 Ellipticity -0.1391839E+01 Gb(Abramov) 0.6178219E-02 Vb(Abramov) -0.4462643E-02 Hb(Abramov) 0.1715576E-02 Ex_ueg -0.1178497E-02 Ec_ueg -0.2774929E-03 Delta_ex -0.1412555E-02 Delta_ec 0.4387490E-03 Delta_et -0.2946526E-02 Pxc 0.4246946E+01 Qxc -0.3219505E+01 3,+1 98 3 -1 -0.180659 2.373653 2.372781 Rho 0.1543041E+00 |GRAD(Rho)| 0.5125978E-15 GRAD(Rho)x 0.1322456E-15 GRAD(Rho)y -0.2090342E-15 GRAD(Rho)z 0.4489681E-15 Laplacian 0.6405513E+00 (-1/4)Del**2(Rho)) -0.1601378E+00 Diamond 0.1333317E+01 Metallicity 0.4775530E+01 Ellipticity 0.1836736E-01 Gb(Abramov) 0.2342157E+00 Vb(Abramov) -0.3082936E+00 Hb(Abramov) -0.7407788E-01 Ex_ueg -0.6112538E-01 Ec_ueg -0.8719603E-02 Delta_ex -0.6917779E-01 Delta_ec 0.1597316E-01 Delta_et -0.2130619E+00 Pxc 0.7010110E+01 Qxc -0.4330877E+01 3,-1 99 3 -1 -0.205283 2.381949 -2.340638 Rho 0.1210255E+00 |GRAD(Rho)| 0.4815793E-13 GRAD(Rho)x -0.4229020E-13 GRAD(Rho)y 0.5976387E-14 GRAD(Rho)z 0.2224878E-13 Laplacian 0.4946110E+00 (-1/4)Del**2(Rho)) -0.1236527E+00 Diamond 0.7642979E+00 Metallicity 0.4125511E+01 Ellipticity 0.1064717E-01 Gb(Abramov) 0.1674569E+00 Vb(Abramov) -0.2112611E+00 Hb(Abramov) -0.4380421E-01 Ex_ueg -0.4421345E-01 Ec_ueg -0.6615443E-02 Delta_ex -0.5028994E-01 Delta_ec 0.1297493E-01 Delta_et -0.1666131E+00 Pxc 0.6683369E+01 Qxc -0.3875932E+01 3,-1 100 3 +1 -0.315428 2.782284 -0.119521 Rho 0.2702410E-01 |GRAD(Rho)| 0.3872636E-16 GRAD(Rho)x 0.6223762E-18 GRAD(Rho)y 0.3642603E-16 GRAD(Rho)z 0.1313347E-16 Laplacian 0.1048162E+00 (-1/4)Del**2(Rho)) -0.2620404E-01 Diamond 0.1519808E-01 Metallicity 0.1599940E+01 Ellipticity -0.4266650E+01 Gb(Abramov) 0.2445684E-01 Vb(Abramov) -0.2270964E-01 Hb(Abramov) 0.1747201E-02 Ex_ueg -0.5989447E-02 Ec_ueg -0.1191155E-02 Delta_ex -0.6650244E-02 Delta_ec 0.1767798E-02 Delta_et -0.1590464E-01 Pxc 0.5028269E+01 Qxc -0.3761879E+01 3,+1 101 3 +1 1.458201 -1.552457 1.701963 Rho 0.2420159E-01 |GRAD(Rho)| 0.5117978E-16 GRAD(Rho)x -0.2989535E-16 GRAD(Rho)y 0.3759171E-16 GRAD(Rho)z -0.1767769E-16 Laplacian 0.9431640E-01 (-1/4)Del**2(Rho)) -0.2357910E-01 Diamond 0.1263704E-01 Metallicity 0.1479446E+01 Ellipticity -0.5676703E+01 Gb(Abramov) 0.2153340E-01 Vb(Abramov) -0.1948770E-01 Hb(Abramov) 0.2045698E-02 Ex_ueg -0.5170235E-02 Ec_ueg -0.1048600E-02 Delta_ex -0.5910706E-02 Delta_ec 0.1770657E-02 Delta_et -0.1546271E-01 Pxc 0.4930607E+01 Qxc -0.3338143E+01 3,+1 102 3 +1 0.262399 -1.191524 2.534773 Rho 0.2776733E-01 |GRAD(Rho)| 0.4013761E-16 GRAD(Rho)x 0.2656517E-16 GRAD(Rho)y -0.2817982E-16 GRAD(Rho)z 0.1054594E-16 Laplacian 0.1102660E+00 (-1/4)Del**2(Rho)) -0.2756650E-01 Diamond 0.1604684E-01 Metallicity 0.1591214E+01 Ellipticity -0.3298666E+01 Gb(Abramov) 0.2568837E-01 Vb(Abramov) -0.2381023E-01 Hb(Abramov) 0.1878136E-02 Ex_ueg -0.6210081E-02 Ec_ueg -0.1229030E-02 Delta_ex -0.6995274E-02 Delta_ec 0.1766925E-02 Delta_et -0.1601507E-01 Pxc 0.5052833E+01 Qxc -0.3959011E+01 3,+1 103 3 -1 -0.012526 0.772875 0.013640 Rho 0.1654638E+00 |GRAD(Rho)| 0.1348134E-15 GRAD(Rho)x 0.1110223E-15 GRAD(Rho)y -0.7632783E-16 GRAD(Rho)z -0.4770490E-17 Laplacian 0.4156442E+00 (-1/4)Del**2(Rho)) -0.1039110E+00 Diamond 0.9661035E+00 Metallicity 0.8267921E+01 Ellipticity 0.8703962E-02 Gb(Abramov) 0.2124621E+00 Vb(Abramov) -0.3210131E+00 Hb(Abramov) -0.1085510E+00 Ex_ueg -0.6708967E-01 Ec_ueg -0.9440658E-02 Delta_ex -0.4589441E-01 Delta_ec 0.1057623E-01 Delta_et -0.1433685E+00 Pxc 0.7106460E+01 Qxc -0.4339391E+01 3,-1 104 3 -1 0.301233 -2.529092 2.730851 Rho 0.1400527E+00 |GRAD(Rho)| 0.3092116E-13 GRAD(Rho)x -0.2923129E-13 GRAD(Rho)y 0.1719138E-15 GRAD(Rho)z 0.1008068E-13 Laplacian 0.5452861E+00 (-1/4)Del**2(Rho)) -0.1363215E+00 Diamond 0.1023814E+01 Metallicity 0.4773181E+01 Ellipticity 0.5026430E-01 Gb(Abramov) 0.1993289E+00 Vb(Abramov) -0.2623363E+00 Hb(Abramov) -0.6300739E-01 Ex_ueg -0.5371643E-01 Ec_ueg -0.7809818E-02 Delta_ex -0.5765146E-01 Delta_ec 0.1419180E-01 Delta_et -0.1873044E+00 Pxc 0.6878064E+01 Qxc -0.4062307E+01 3,-1 105 3 -1 0.099648 -0.358029 -0.672172 Rho 0.1763409E+00 |GRAD(Rho)| 0.5230519E-13 GRAD(Rho)x 0.4930431E-13 GRAD(Rho)y -0.9176687E-14 GRAD(Rho)z -0.1485617E-13 Laplacian 0.4491225E+00 (-1/4)Del**2(Rho)) -0.1122806E+00 Diamond 0.1124135E+01 Metallicity 0.8508183E+01 Ellipticity 0.1355218E-01 Gb(Abramov) 0.2340711E+00 Vb(Abramov) -0.3558616E+00 Hb(Abramov) -0.1217905E+00 Ex_ueg -0.7303356E-01 Ec_ueg -0.1015053E-01 Delta_ex -0.5036046E-01 Delta_ec 0.1120472E-01 Delta_et -0.1529741E+00 Pxc 0.7195050E+01 Qxc -0.4494575E+01 3,-1 106 3 -1 0.098217 -0.379412 0.656772 Rho 0.1736815E+00 |GRAD(Rho)| 0.1358633E-15 GRAD(Rho)x 0.8500145E-16 GRAD(Rho)y 0.9887924E-16 GRAD(Rho)z 0.3816392E-16 Laplacian 0.4392514E+00 (-1/4)Del**2(Rho)) -0.1098128E+00 Diamond 0.1082945E+01 Metallicity 0.8481823E+01 Ellipticity 0.5269491E-02 Gb(Abramov) 0.2284441E+00 Vb(Abramov) -0.3470753E+00 Hb(Abramov) -0.1186312E+00 Ex_ueg -0.7156869E-01 Ec_ueg -0.9976332E-02 Delta_ex -0.4909498E-01 Delta_ec 0.1105118E-01 Delta_et -0.1507458E+00 Pxc 0.7173848E+01 Qxc -0.4442511E+01 3,-1 107 3 -1 0.197162 -0.428774 2.458354 Rho 0.4249542E-01 |GRAD(Rho)| 0.1349948E-15 GRAD(Rho)x 0.4757339E-16 GRAD(Rho)y -0.4189605E-16 GRAD(Rho)z -0.1191852E-15 Laplacian 0.1697736E+00 (-1/4)Del**2(Rho)) -0.4244341E-01 Diamond 0.7070119E-01 Metallicity 0.2100454E+01 Ellipticity 0.1552635E-01 Gb(Abramov) 0.4315401E-01 Vb(Abramov) -0.4386461E-01 Hb(Abramov) -0.7106034E-03 Ex_ueg -0.1095237E-01 Ec_ueg -0.2004454E-02 Delta_ex -0.1350860E-01 Delta_ec 0.5227907E-02 Delta_et -0.5283322E-01 Pxc 0.5464016E+01 Qxc -0.2583941E+01 3,-1 108 3 -1 0.496054 3.328445 -1.510383 Rho 0.1403919E+00 |GRAD(Rho)| 0.2697038E-14 GRAD(Rho)x 0.1426132E-15 GRAD(Rho)y 0.2621852E-14 GRAD(Rho)z 0.6160911E-15 Laplacian 0.5501352E+00 (-1/4)Del**2(Rho)) -0.1375338E+00 Diamond 0.1019419E+01 Metallicity 0.4750220E+01 Ellipticity 0.5113070E-01 Gb(Abramov) 0.2005752E+00 Vb(Abramov) -0.2636166E+00 Hb(Abramov) -0.6304138E-01 Ex_ueg -0.5388995E-01 Ec_ueg -0.7831323E-02 Delta_ex -0.5801877E-01 Delta_ec 0.1398897E-01 Delta_et -0.1840302E+00 Pxc 0.6881334E+01 Qxc -0.4147466E+01 3,-1 109 3 +3 0.571767 3.301492 -0.009174 Rho 0.1246009E-01 |GRAD(Rho)| 0.1000757E-14 GRAD(Rho)x 0.9386460E-15 GRAD(Rho)y -0.3469922E-15 GRAD(Rho)z 0.7401634E-17 Laplacian 0.5844760E-01 (-1/4)Del**2(Rho)) -0.1461190E-01 Diamond 0.1544160E-02 Metallicity 0.7895535E+00 Ellipticity -0.8849115E+00 Gb(Abramov) 0.1166408E-01 Vb(Abramov) -0.8716259E-02 Hb(Abramov) 0.2947821E-02 Ex_ueg -0.2133437E-02 Ec_ueg -0.4808497E-03 Delta_ex -0.2648282E-02 Delta_ec 0.3062762E-03 Delta_et -0.2658269E-02 Pxc 0.4436807E+01 Qxc -0.8646712E+01 3,+3 110 3 -1 -0.341960 -3.093934 -1.592956 Rho 0.1341155E+00 |GRAD(Rho)| 0.8057597E-16 GRAD(Rho)x -0.5801837E-16 GRAD(Rho)y 0.3311147E-16 GRAD(Rho)z 0.4505538E-16 Laplacian 0.4943353E+00 (-1/4)Del**2(Rho)) -0.1235838E+00 Diamond 0.8830046E+00 Metallicity 0.4898426E+01 Ellipticity 0.1102080E+00 Gb(Abramov) 0.1832836E+00 Vb(Abramov) -0.2429833E+00 Hb(Abramov) -0.5969975E-01 Ex_ueg -0.5070184E-01 Ec_ueg -0.7434569E-02 Delta_ex -0.5174087E-01 Delta_ec 0.1304055E-01 Delta_et -0.1710280E+00 Pxc 0.6819742E+01 Qxc -0.3967690E+01 3,-1 111 3 -1 0.726654 -3.189546 0.866162 Rho 0.1334386E+00 |GRAD(Rho)| 0.2149830E-15 GRAD(Rho)x -0.1177715E-16 GRAD(Rho)y 0.3451829E-16 GRAD(Rho)z 0.2118667E-15 Laplacian 0.5444045E+00 (-1/4)Del**2(Rho)) -0.1361011E+00 Diamond 0.9650772E+00 Metallicity 0.4410564E+01 Ellipticity 0.1525765E-01 Gb(Abramov) 0.1907812E+00 Vb(Abramov) -0.2454613E+00 Hb(Abramov) -0.5468007E-01 Ex_ueg -0.5036094E-01 Ec_ueg -0.7391933E-02 Delta_ex -0.5689481E-01 Delta_ec 0.1434823E-01 Delta_et -0.1879671E+00 Pxc 0.6812959E+01 Qxc -0.3965284E+01 3,-1 112 3 -1 0.389868 -2.559361 -2.724373 Rho 0.1469145E+00 |GRAD(Rho)| 0.3269409E-13 GRAD(Rho)x -0.1754422E-14 GRAD(Rho)y 0.3211862E-13 GRAD(Rho)z -0.5849745E-14 Laplacian 0.5780971E+00 (-1/4)Del**2(Rho)) -0.1445243E+00 Diamond 0.1132448E+01 Metallicity 0.4875888E+01 Ellipticity 0.7621730E-01 Gb(Abramov) 0.2137969E+00 Vb(Abramov) -0.2830694E+00 Hb(Abramov) -0.6927259E-01 Ex_ueg -0.5725386E-01 Ec_ueg -0.8246293E-02 Delta_ex -0.6166196E-01 Delta_ec 0.1455717E-01 Delta_et -0.1928014E+00 Pxc 0.6942981E+01 Qxc -0.4235848E+01 3,-1 113 3 +1 0.931082 2.532191 0.613722 Rho 0.2869707E-01 |GRAD(Rho)| 0.2205349E-15 GRAD(Rho)x 0.1452817E-15 GRAD(Rho)y -0.1658719E-15 GRAD(Rho)z -0.3919569E-17 Laplacian 0.1140651E+00 (-1/4)Del**2(Rho)) -0.2851626E-01 Diamond 0.1821992E-01 Metallicity 0.1625011E+01 Ellipticity -0.4649854E+01 Gb(Abramov) 0.2673405E-01 Vb(Abramov) -0.2495184E-01 Hb(Abramov) 0.1782212E-02 Ex_ueg -0.6488860E-02 Ec_ueg -0.1276598E-02 Delta_ex -0.7377933E-02 Delta_ec 0.1964704E-02 Delta_et -0.1792712E-01 Pxc 0.5082930E+01 Qxc -0.3755238E+01 3,+1 114 3 +3 1.146368 1.091791 -1.628564 Rho 0.4151062E-02 |GRAD(Rho)| 0.6484556E-11 GRAD(Rho)x -0.6364220E-11 GRAD(Rho)y -0.8466832E-12 GRAD(Rho)z -0.9106529E-12 Laplacian 0.1691787E-01 (-1/4)Del**2(Rho)) -0.4229466E-02 Diamond 0.1260368E-03 Metallicity 0.4367165E+00 Ellipticity -0.3485586E+00 Gb(Abramov) 0.3127491E-02 Vb(Abramov) -0.2025515E-02 Hb(Abramov) 0.1101976E-02 Ex_ueg -0.4927167E-03 Ec_ueg -0.1105645E-03 Delta_ex -0.5962308E-03 Delta_ec 0.1476849E-03 Delta_et -0.9165941E-03 Pxc 0.4456375E+01 Qxc -0.4037181E+01 3,+3 115 3 -1 0.000348 0.853549 3.259588 Rho 0.1127974E+00 |GRAD(Rho)| 0.1886469E-12 GRAD(Rho)x 0.1543833E-13 GRAD(Rho)y 0.1754443E-12 GRAD(Rho)z -0.6759163E-13 Laplacian 0.4623449E+00 (-1/4)Del**2(Rho)) -0.1155862E+00 Diamond 0.6634369E+00 Metallicity 0.3924754E+01 Ellipticity 0.6750772E-02 Gb(Abramov) 0.1526654E+00 Vb(Abramov) -0.1897446E+00 Hb(Abramov) -0.3707919E-01 Ex_ueg -0.4025169E-01 Ec_ueg -0.6106592E-02 Delta_ex -0.4632822E-01 Delta_ec 0.1251201E-01 Delta_et -0.1589836E+00 Pxc 0.6591513E+01 Qxc -0.3702699E+01 3,-1 116 3 -1 0.552774 -1.868254 -1.618036 Rho 0.4040833E-01 |GRAD(Rho)| 0.2086585E-15 GRAD(Rho)x -0.1147078E-16 GRAD(Rho)y 0.1997335E-15 GRAD(Rho)z 0.5927320E-16 Laplacian 0.1644716E+00 (-1/4)Del**2(Rho)) -0.4111791E-01 Diamond 0.6352938E-01 Metallicity 0.1993611E+01 Ellipticity 0.3507580E-01 Gb(Abramov) 0.4107412E-01 Vb(Abramov) -0.4103034E-01 Hb(Abramov) 0.4378444E-04 Ex_ueg -0.1024109E-01 Ec_ueg -0.1891981E-02 Delta_ex -0.1290039E-01 Delta_ec 0.5022030E-02 Delta_et -0.5006094E-01 Pxc 0.5412895E+01 Qxc -0.2568761E+01 3,-1 117 3 -1 0.454015 -1.873256 1.581047 Rho 0.5023945E-01 |GRAD(Rho)| 0.2906734E-13 GRAD(Rho)x -0.2157035E-13 GRAD(Rho)y -0.1938597E-13 GRAD(Rho)z -0.1953165E-14 Laplacian 0.1983653E+00 (-1/4)Del**2(Rho)) -0.4959132E-01 Diamond 0.1009815E+00 Metallicity 0.2376233E+01 Ellipticity 0.1216636E-01 Gb(Abramov) 0.5270097E-01 Vb(Abramov) -0.5581062E-01 Hb(Abramov) -0.3109650E-02 Ex_ueg -0.1369131E-01 Ec_ueg -0.2428114E-02 Delta_ex -0.1633772E-01 Delta_ec 0.5892658E-02 Delta_et -0.6220934E-01 Pxc 0.5638659E+01 Qxc -0.2772555E+01 3,-1 118 3 +1 1.415645 -1.453494 2.851825 Rho 0.1173539E-01 |GRAD(Rho)| 0.1771879E-16 GRAD(Rho)x 0.1516206E-16 GRAD(Rho)y -0.1171227E-17 GRAD(Rho)z -0.9093717E-17 Laplacian 0.5381913E-01 (-1/4)Del**2(Rho)) -0.1345478E-01 Diamond 0.1738373E-02 Metallicity 0.7759594E+00 Ellipticity -0.1161979E+01 Gb(Abramov) 0.1070992E-01 Vb(Abramov) -0.7965049E-02 Hb(Abramov) 0.2744867E-02 Ex_ueg -0.1969617E-02 Ec_ueg -0.4473674E-03 Delta_ex -0.2524791E-02 Delta_ec 0.5108245E-03 Delta_et -0.3955448E-02 Pxc 0.4402682E+01 Qxc -0.4942579E+01 3,+1 119 3 +1 1.162406 -0.402208 -2.457351 Rho 0.2330337E-01 |GRAD(Rho)| 0.1755915E-16 GRAD(Rho)x -0.2851216E-17 GRAD(Rho)y -0.9317287E-18 GRAD(Rho)z -0.1730104E-16 Laplacian 0.9306415E-01 (-1/4)Del**2(Rho)) -0.2326604E-01 Diamond 0.1258388E-01 Metallicity 0.1407760E+01 Ellipticity -0.8410363E+01 Gb(Abramov) 0.2096952E-01 Vb(Abramov) -0.1867301E-01 Hb(Abramov) 0.2296514E-02 Ex_ueg -0.4915978E-02 Ec_ueg -0.1003676E-02 Delta_ex -0.5863690E-02 Delta_ec 0.1905943E-02 Delta_et -0.1644445E-01 Pxc 0.4897971E+01 Qxc -0.3076530E+01 3,+1 120 3 +3 1.325325 -1.363657 -2.651256 Rho 0.1125427E-01 |GRAD(Rho)| 0.1860622E-14 GRAD(Rho)x -0.9664679E-15 GRAD(Rho)y 0.7253843E-15 GRAD(Rho)z 0.1414804E-14 Laplacian 0.5079703E-01 (-1/4)Del**2(Rho)) -0.1269926E-01 Diamond 0.1064086E-02 Metallicity 0.7667205E+00 Ellipticity -0.6437118E+00 Gb(Abramov) 0.1008897E-01 Vb(Abramov) -0.7478680E-02 Hb(Abramov) 0.2610289E-02 Ex_ueg -0.1862694E-02 Ec_ueg -0.4252539E-03 Delta_ex -0.2203274E-02 Delta_ec 0.2097281E-03 Delta_et -0.1904945E-02 Pxc 0.4380193E+01 Qxc -0.1050538E+02 3,+3 121 3 -1 0.754153 -3.947626 -2.243295 Rho 0.2255957E+00 |GRAD(Rho)| 0.6362181E-15 GRAD(Rho)x -0.9115430E-16 GRAD(Rho)y 0.5638935E-15 GRAD(Rho)z 0.2801578E-15 Laplacian 0.8185875E+00 (-1/4)Del**2(Rho)) -0.2046469E+00 Diamond 0.2696154E+01 Metallicity 0.7037733E+01 Ellipticity 0.1589922E-02 Gb(Abramov) 0.3764729E+00 Vb(Abramov) -0.5482990E+00 Hb(Abramov) -0.1718261E+00 Ex_ueg -0.1014284E+00 Ec_ueg -0.1344907E-01 Delta_ex -0.9737269E-01 Delta_ec 0.1850455E-01 Delta_et -0.2560234E+00 Pxc 0.7541664E+01 Qxc -0.5262095E+01 3,-1 122 3 -1 0.569795 -3.937296 2.215400 Rho 0.2315574E+00 |GRAD(Rho)| 0.1222514E-15 GRAD(Rho)x 0.9692767E-16 GRAD(Rho)y -0.6646159E-16 GRAD(Rho)z 0.3366448E-16 Laplacian 0.8610220E+00 (-1/4)Del**2(Rho)) -0.2152555E+00 Diamond 0.2909140E+01 Metallicity 0.6988170E+01 Ellipticity 0.1167607E-01 Gb(Abramov) 0.3942107E+00 Vb(Abramov) -0.5731659E+00 Hb(Abramov) -0.1789552E+00 Ex_ueg -0.1050179E+00 Ec_ueg -0.1385746E-01 Delta_ex -0.1030200E+00 Delta_ec 0.1914626E-01 Delta_et -0.2645213E+00 Pxc 0.7578441E+01 Qxc -0.5380686E+01 3,-1 123 3 +1 1.566417 -0.667832 -0.016449 Rho 0.7086722E-02 |GRAD(Rho)| 0.1127088E-16 GRAD(Rho)x -0.7781326E-17 GRAD(Rho)y 0.6574589E-18 GRAD(Rho)z -0.8127208E-17 Laplacian 0.2753823E-01 (-1/4)Del**2(Rho)) -0.6884558E-02 Diamond 0.5924567E-03 Metallicity 0.6542636E+00 Ellipticity -0.1421839E+01 Gb(Abramov) 0.5340425E-02 Vb(Abramov) -0.3796291E-02 Hb(Abramov) 0.1544133E-02 Ex_ueg -0.1005338E-02 Ec_ueg -0.2377894E-03 Delta_ex -0.1213683E-02 Delta_ec 0.4147472E-03 Delta_et -0.2673036E-02 Pxc 0.4227851E+01 Qxc -0.2926321E+01 3,+1 124 3 -1 1.029027 -0.116266 3.497850 Rho 0.8185453E-01 |GRAD(Rho)| 0.1574195E-13 GRAD(Rho)x 0.7351704E-15 GRAD(Rho)y 0.2334678E-14 GRAD(Rho)z 0.1555050E-13 Laplacian 0.3310907E+00 (-1/4)Del**2(Rho)) -0.8277268E-01 Diamond 0.3192595E+00 Metallicity 0.3211717E+01 Ellipticity 0.8471555E-02 Gb(Abramov) 0.9948886E-01 Vb(Abramov) -0.1162050E+00 Hb(Abramov) -0.1671618E-01 Ex_ueg -0.2624875E-01 Ec_ueg -0.4239678E-02 Delta_ex -0.3072562E-01 Delta_ec 0.9476723E-02 Delta_et -0.1127314E+00 Pxc 0.6191213E+01 Qxc -0.3242219E+01 3,-1 125 3 +3 1.750233 0.320797 -0.037152 Rho 0.4128025E-02 |GRAD(Rho)| 0.4710070E-17 GRAD(Rho)x 0.4519016E-18 GRAD(Rho)y -0.8498084E-18 GRAD(Rho)z -0.4610680E-17 Laplacian 0.1616017E-01 (-1/4)Del**2(Rho)) -0.4040042E-02 Diamond 0.1043161E-03 Metallicity 0.4529718E+00 Ellipticity -0.4422776E+00 Gb(Abramov) 0.2998365E-02 Vb(Abramov) -0.1956689E-02 Hb(Abramov) 0.1041676E-02 Ex_ueg -0.4890743E-03 Ec_ueg -0.1095833E-03 Delta_ex -0.5505311E-03 Delta_ec 0.1085973E-03 Delta_et -0.7212550E-03 Pxc 0.4463035E+01 Qxc -0.5069474E+01 3,+3 126 3 +3 1.311177 -1.366058 2.679645 Rho 0.1161047E-01 |GRAD(Rho)| 0.5850979E-17 GRAD(Rho)x -0.3626891E-17 GRAD(Rho)y -0.1112216E-17 GRAD(Rho)z 0.4454503E-17 Laplacian 0.5257740E-01 (-1/4)Del**2(Rho)) -0.1314435E-01 Diamond 0.1204049E-02 Metallicity 0.7802436E+00 Ellipticity -0.7278272E+00 Gb(Abramov) 0.1047220E-01 Vb(Abramov) -0.7800049E-02 Hb(Abramov) 0.2672151E-02 Ex_ueg -0.1941711E-02 Ec_ueg -0.4416168E-03 Delta_ex -0.2317580E-02 Delta_ec 0.2459901E-03 Delta_et -0.2170859E-02 Pxc 0.4396824E+01 Qxc -0.9421438E+01 3,+3 127 3 -1 -1.360018 2.631387 1.630559 Rho 0.1484222E+00 |GRAD(Rho)| 0.4340121E-13 GRAD(Rho)x -0.6114575E-14 GRAD(Rho)y -0.3552350E-13 GRAD(Rho)z -0.2417348E-13 Laplacian 0.5702289E+00 (-1/4)Del**2(Rho)) -0.1425572E+00 Diamond 0.1158108E+01 Metallicity 0.5027999E+01 Ellipticity 0.9254224E-01 Gb(Abramov) 0.2145011E+00 Vb(Abramov) -0.2864450E+00 Hb(Abramov) -0.7194387E-01 Ex_ueg -0.5803858E-01 Ec_ueg -0.8342587E-02 Delta_ex -0.6125134E-01 Delta_ec 0.1481487E-01 Delta_et -0.1976249E+00 Pxc 0.6956904E+01 Qxc -0.4134450E+01 3,-1 128 3 -1 1.601071 -2.725162 -1.992800 Rho 0.1271157E+00 |GRAD(Rho)| 0.1264020E-12 GRAD(Rho)x -0.1125809E-12 GRAD(Rho)y -0.5739310E-13 GRAD(Rho)z 0.3007519E-14 Laplacian 0.5104657E+00 (-1/4)Del**2(Rho)) -0.1276164E+00 Diamond 0.8391319E+00 Metallicity 0.4338226E+01 Ellipticity 0.4665743E-01 Gb(Abramov) 0.1773491E+00 Vb(Abramov) -0.2270818E+00 Hb(Abramov) -0.4973268E-01 Ex_ueg -0.4720459E-01 Ec_ueg -0.6995117E-02 Delta_ex -0.5254814E-01 Delta_ec 0.1328830E-01 Delta_et -0.1721274E+00 Pxc 0.6748219E+01 Qxc -0.3954466E+01 3,-1 129 3 +1 2.060558 -2.074844 -0.214633 Rho 0.5242102E-02 |GRAD(Rho)| 0.2226497E-17 GRAD(Rho)x -0.1221759E-17 GRAD(Rho)y 0.1228168E-17 GRAD(Rho)z -0.1398642E-17 Laplacian 0.2179015E-01 (-1/4)Del**2(Rho)) -0.5447538E-02 Diamond 0.5401444E-03 Metallicity 0.5002594E+00 Ellipticity -0.2850712E+01 Gb(Abramov) 0.4085889E-02 Vb(Abramov) -0.2724240E-02 Hb(Abramov) 0.1361649E-02 Ex_ueg -0.6725516E-03 Ec_ueg -0.1573462E-03 Delta_ex -0.1092165E-02 Delta_ec 0.6840428E-03 Delta_et -0.3768879E-02 Pxc 0.4274342E+01 Qxc -0.1596633E+01 3,+1 130 3 -1 1.725196 -0.634666 -1.644817 Rho 0.2905715E-01 |GRAD(Rho)| 0.6249366E-16 GRAD(Rho)x 0.5996009E-16 GRAD(Rho)y 0.8556148E-17 GRAD(Rho)z -0.1539603E-16 Laplacian 0.1154655E+00 (-1/4)Del**2(Rho)) -0.2886637E-01 Diamond 0.2770500E-01 Metallicity 0.1639015E+01 Ellipticity 0.1118593E+00 Gb(Abramov) 0.2712965E-01 Vb(Abramov) -0.2539292E-01 Hb(Abramov) 0.1736723E-02 Ex_ueg -0.6597648E-02 Ec_ueg -0.1295077E-02 Delta_ex -0.8288283E-02 Delta_ec 0.3407657E-02 Delta_et -0.3102371E-01 Pxc 0.5094405E+01 Qxc -0.2432253E+01 3,-1 131 3 -1 1.480506 -2.717226 1.965421 Rho 0.9486927E-01 |GRAD(Rho)| 0.1972901E-13 GRAD(Rho)x -0.1786748E-13 GRAD(Rho)y -0.8318275E-14 GRAD(Rho)z -0.8907521E-15 Laplacian 0.3802877E+00 (-1/4)Del**2(Rho)) -0.9507194E-01 Diamond 0.4408309E+00 Metallicity 0.3575829E+01 Ellipticity 0.2835348E-02 Gb(Abramov) 0.1200415E+00 Vb(Abramov) -0.1450110E+00 Hb(Abramov) -0.2496952E-01 Ex_ueg -0.3195600E-01 Ec_ueg -0.5015313E-02 Delta_ex -0.3655467E-01 Delta_ec 0.1062859E-01 Delta_et -0.1305231E+00 Pxc 0.6371687E+01 Qxc -0.3439277E+01 3,-1 132 3 +3 1.540589 -1.598597 -0.038100 Rho 0.4214282E-02 |GRAD(Rho)| 0.3256566E-17 GRAD(Rho)x 0.5049752E-18 GRAD(Rho)y 0.3138387E-17 GRAD(Rho)z -0.7076384E-18 Laplacian 0.1713410E-01 (-1/4)Del**2(Rho)) -0.4283525E-02 Diamond 0.1261533E-03 Metallicity 0.4422058E+00 Ellipticity -0.2941836E+00 Gb(Abramov) 0.3171383E-02 Vb(Abramov) -0.2059242E-02 Hb(Abramov) 0.1112142E-02 Ex_ueg -0.5027474E-03 Ec_ueg -0.1132584E-03 Delta_ex -0.6013605E-03 Delta_ec 0.1409548E-03 Delta_et -0.8907378E-03 Pxc 0.4438940E+01 Qxc -0.4266336E+01 3,+3 133 3 +1 1.504143 1.310589 2.201750 Rho 0.5029591E-02 |GRAD(Rho)| 0.6745464E-17 GRAD(Rho)x 0.5540420E-17 GRAD(Rho)y -0.2149626E-18 GRAD(Rho)z -0.3841721E-17 Laplacian 0.2047992E-01 (-1/4)Del**2(Rho)) -0.5119980E-02 Diamond 0.4602235E-03 Metallicity 0.4967898E+00 Ellipticity -0.2384528E+01 Gb(Abramov) 0.3837246E-02 Vb(Abramov) -0.2554511E-02 Hb(Abramov) 0.1282734E-02 Ex_ueg -0.6364466E-03 Ec_ueg -0.1481864E-03 Delta_ex -0.9998949E-03 Delta_ec 0.6100698E-03 Delta_et -0.3333139E-02 Pxc 0.4294904E+01 Qxc -0.1638984E+01 3,+1 134 3 -1 1.338785 2.062380 0.017302 Rho 0.4645053E-01 |GRAD(Rho)| 0.2018565E-12 GRAD(Rho)x -0.1744220E-12 GRAD(Rho)y 0.2102273E-13 GRAD(Rho)z -0.9940360E-13 Laplacian 0.1813389E+00 (-1/4)Del**2(Rho)) -0.4533471E-01 Diamond 0.8228853E-01 Metallicity 0.2280903E+01 Ellipticity 0.1606297E-01 Gb(Abramov) 0.4745715E-01 Vb(Abramov) -0.4957959E-01 Hb(Abramov) -0.2122439E-02 Ex_ueg -0.1233216E-01 Ec_ueg -0.2219632E-02 Delta_ex -0.1461112E-01 Delta_ec 0.5331370E-02 Delta_et -0.5512486E-01 Pxc 0.5555949E+01 Qxc -0.2740594E+01 3,-1 135 3 -1 1.700829 -0.695822 1.612798 Rho 0.3358879E-01 |GRAD(Rho)| 0.1227251E-13 GRAD(Rho)x 0.1182772E-13 GRAD(Rho)y -0.1665596E-14 GRAD(Rho)z 0.2818738E-14 Laplacian 0.1274340E+00 (-1/4)Del**2(Rho)) -0.3185851E-01 Diamond 0.3582957E-01 Metallicity 0.1890826E+01 Ellipticity 0.4790193E-01 Gb(Abramov) 0.3127882E-01 Vb(Abramov) -0.3069914E-01 Hb(Abramov) 0.5796845E-03 Ex_ueg -0.8004070E-02 Ec_ueg -0.1530164E-02 Delta_ex -0.9372969E-02 Delta_ec 0.3573897E-02 Delta_et -0.3386564E-01 Pxc 0.5230859E+01 Qxc -0.2622618E+01 3,-1 136 3 +1 1.598578 -1.385320 -1.722815 Rho 0.2103707E-01 |GRAD(Rho)| 0.1661916E-15 GRAD(Rho)x 0.1496439E-15 GRAD(Rho)y 0.4998763E-16 GRAD(Rho)z 0.5222636E-16 Laplacian 0.7943429E-01 (-1/4)Del**2(Rho)) -0.1985857E-01 Diamond 0.8247128E-02 Metallicity 0.1390744E+01 Ellipticity -0.3359427E+01 Gb(Abramov) 0.1784208E-01 Vb(Abramov) -0.1582559E-01 Hb(Abramov) 0.2016491E-02 Ex_ueg -0.4289093E-02 Ec_ueg -0.8913352E-03 Delta_ex -0.4726390E-02 Delta_ec 0.1361011E-02 Delta_et -0.1150654E-01 Pxc 0.4811987E+01 Qxc -0.3472705E+01 3,+1 137 3 -1 2.489413 -0.357755 -2.722851 Rho 0.1746106E+00 |GRAD(Rho)| 0.3598624E-15 GRAD(Rho)x 0.3320911E-15 GRAD(Rho)y -0.8762386E-16 GRAD(Rho)z 0.1074173E-15 Laplacian 0.6741927E+00 (-1/4)Del**2(Rho)) -0.1685482E+00 Diamond 0.1622491E+01 Metallicity 0.5575450E+01 Ellipticity 0.5949806E-01 Gb(Abramov) 0.2689874E+00 Vb(Abramov) -0.3694267E+00 Hb(Abramov) -0.1004393E+00 Ex_ueg -0.7207960E-01 Ec_ueg -0.1003714E-01 Delta_ex -0.7504481E-01 Delta_ec 0.1620731E-01 Delta_et -0.2191865E+00 Pxc 0.7181288E+01 Qxc -0.4630306E+01 3,-1 138 3 -1 2.468082 -0.359442 2.701972 Rho 0.1786612E+00 |GRAD(Rho)| 0.1653899E-15 GRAD(Rho)x 0.4984619E-16 GRAD(Rho)y 0.2145365E-16 GRAD(Rho)z -0.1562335E-15 Laplacian 0.6922564E+00 (-1/4)Del**2(Rho)) -0.1730641E+00 Diamond 0.1727720E+01 Metallicity 0.5641525E+01 Ellipticity 0.4157685E-01 Gb(Abramov) 0.2781003E+00 Vb(Abramov) -0.3831365E+00 Hb(Abramov) -0.1050362E+00 Ex_ueg -0.7431766E-01 Ec_ueg -0.1030284E-01 Delta_ex -0.7762193E-01 Delta_ec 0.1675588E-01 Delta_et -0.2277915E+00 Pxc 0.7213314E+01 Qxc -0.4632519E+01 3,-1 139 3 +1 1.508718 1.243806 -2.252694 Rho 0.5098616E-02 |GRAD(Rho)| 0.1107523E-16 GRAD(Rho)x -0.5433039E-17 GRAD(Rho)y 0.4166357E-17 GRAD(Rho)z 0.8705417E-17 Laplacian 0.2091143E-01 (-1/4)Del**2(Rho)) -0.5227859E-02 Diamond 0.4598661E-03 Metallicity 0.4977179E+00 Ellipticity -0.2107734E+01 Gb(Abramov) 0.3918906E-02 Vb(Abramov) -0.2609952E-02 Hb(Abramov) 0.1308953E-02 Ex_ueg -0.6481191E-03 Ec_ueg -0.1511591E-03 Delta_ex -0.1006747E-02 Delta_ec 0.5926409E-03 Delta_et -0.3264030E-02 Pxc 0.4287661E+01 Qxc -0.1698748E+01 3,+1 140 3 -1 2.672112 -1.603628 1.988921 Rho 0.1750423E+00 |GRAD(Rho)| 0.9915565E-15 GRAD(Rho)x -0.7835529E-15 GRAD(Rho)y -0.5974496E-15 GRAD(Rho)z -0.1108292E-15 Laplacian 0.6802992E+00 (-1/4)Del**2(Rho)) -0.1700748E+00 Diamond 0.1660772E+01 Metallicity 0.5548195E+01 Ellipticity 0.4716869E-01 Gb(Abramov) 0.2706512E+00 Vb(Abramov) -0.3712276E+00 Hb(Abramov) -0.1005764E+00 Ex_ueg -0.7231735E-01 Ec_ueg -0.1006542E-01 Delta_ex -0.7592337E-01 Delta_ec 0.1661453E-01 Delta_et -0.2255430E+00 Pxc 0.7184733E+01 Qxc -0.4569698E+01 3,-1 141 3 -1 2.717365 -1.550398 -2.004940 Rho 0.1357366E+00 |GRAD(Rho)| 0.7016397E-13 GRAD(Rho)x -0.1261427E-13 GRAD(Rho)y 0.5718103E-13 GRAD(Rho)z -0.3865479E-13 Laplacian 0.5283389E+00 (-1/4)Del**2(Rho)) -0.1320847E+00 Diamond 0.9468775E+00 Metallicity 0.4675867E+01 Ellipticity 0.3944195E-01 Gb(Abramov) 0.1909916E+00 Vb(Abramov) -0.2498984E+00 Hb(Abramov) -0.5890685E-01 Ex_ueg -0.5152061E-01 Ec_ueg -0.7536801E-02 Delta_ex -0.5534029E-01 Delta_ec 0.1368231E-01 Delta_et -0.1793650E+00 Pxc 0.6835872E+01 Qxc -0.4044658E+01 3,-1 142 3 -1 2.700991 1.891849 -0.714229 Rho 0.1593662E+00 |GRAD(Rho)| 0.4599422E-14 GRAD(Rho)x -0.3693511E-14 GRAD(Rho)y -0.2716929E-14 GRAD(Rho)z 0.3618796E-15 Laplacian 0.6640215E+00 (-1/4)Del**2(Rho)) -0.1660054E+00 Diamond 0.1443809E+01 Metallicity 0.4861363E+01 Ellipticity 0.1888408E-01 Gb(Abramov) 0.2451723E+00 Vb(Abramov) -0.3243393E+00 Hb(Abramov) -0.7916695E-01 Ex_ueg -0.6381362E-01 Ec_ueg -0.9045757E-02 Delta_ex -0.7235269E-01 Delta_ec 0.1653865E-01 Delta_et -0.2218146E+00 Pxc 0.7054536E+01 Qxc -0.4374765E+01 3,-1 143 3 -1 2.696908 1.869446 0.689225 Rho 0.1695919E+00 |GRAD(Rho)| 0.6676965E-16 GRAD(Rho)x -0.2776913E-16 GRAD(Rho)y -0.1658829E-16 GRAD(Rho)z -0.5841139E-16 Laplacian 0.7098563E+00 (-1/4)Del**2(Rho)) -0.1774641E+00 Diamond 0.1653818E+01 Metallicity 0.5044111E+01 Ellipticity 0.2810146E-01 Gb(Abramov) 0.2675008E+00 Vb(Abramov) -0.3575375E+00 Hb(Abramov) -0.9003672E-01 Ex_ueg -0.6933064E-01 Ec_ueg -0.9709259E-02 Delta_ex -0.7847469E-01 Delta_ec 0.1726002E-01 Delta_et -0.2328600E+00 Pxc 0.7140673E+01 Qxc -0.4546616E+01 3,-1 144 3 -1 2.930171 0.364390 1.575298 Rho 0.1081715E+00 |GRAD(Rho)| 0.2802764E-15 GRAD(Rho)x 0.3793352E-16 GRAD(Rho)y -0.2496782E-15 GRAD(Rho)z 0.1215594E-15 Laplacian 0.4522619E+00 (-1/4)Del**2(Rho)) -0.1130655E+00 Diamond 0.6236496E+00 Metallicity 0.3741779E+01 Ellipticity 0.1597282E-01 Gb(Abramov) 0.1458880E+00 Vb(Abramov) -0.1787105E+00 Hb(Abramov) -0.3282251E-01 Ex_ueg -0.3806586E-01 Ec_ueg -0.5822658E-02 Delta_ex -0.4497358E-01 Delta_ec 0.1253778E-01 Delta_et -0.1583339E+00 Pxc 0.6537540E+01 Qxc -0.3587045E+01 3,-1 145 3 -1 2.953546 0.418928 -1.615873 Rho 0.1156106E+00 |GRAD(Rho)| 0.1725897E-12 GRAD(Rho)x 0.6600314E-13 GRAD(Rho)y 0.6603431E-13 GRAD(Rho)z 0.1451560E-12 Laplacian 0.4795484E+00 (-1/4)Del**2(Rho)) -0.1198871E+00 Diamond 0.7080335E+00 Metallicity 0.3942547E+01 Ellipticity 0.1191261E-01 Gb(Abramov) 0.1587015E+00 Vb(Abramov) -0.1975159E+00 Hb(Abramov) -0.3881439E-01 Ex_ueg -0.4159573E-01 Ec_ueg -0.6280026E-02 Delta_ex -0.4832238E-01 Delta_ec 0.1288419E-01 Delta_et -0.1644114E+00 Pxc 0.6623495E+01 Qxc -0.3750517E+01 3,-1 146 3 +1 2.969898 0.570577 -0.039522 Rho 0.1262889E-01 |GRAD(Rho)| 0.7154975E-15 GRAD(Rho)x -0.8251199E-16 GRAD(Rho)y 0.7080729E-15 GRAD(Rho)z 0.6132903E-16 Laplacian 0.6253455E-01 (-1/4)Del**2(Rho)) -0.1563364E-01 Diamond 0.2657664E-02 Metallicity 0.7546897E+00 Ellipticity -0.1280626E+01 Gb(Abramov) 0.1238885E-01 Vb(Abramov) -0.9144061E-02 Hb(Abramov) 0.3244788E-02 Ex_ueg -0.2172061E-02 Ec_ueg -0.4886780E-03 Delta_ex -0.3107529E-02 Delta_ec 0.7972351E-03 Delta_et -0.6063703E-02 Pxc 0.4444768E+01 Qxc -0.3897882E+01 3,+1 147 3 -1 3.873667 -0.696901 2.212187 Rho 0.2355765E+00 |GRAD(Rho)| 0.2893657E-13 GRAD(Rho)x 0.1781528E-13 GRAD(Rho)y 0.2276759E-13 GRAD(Rho)z 0.1256130E-14 Laplacian 0.8521835E+00 (-1/4)Del**2(Rho)) -0.2130459E+00 Diamond 0.2955250E+01 Metallicity 0.7266076E+01 Ellipticity 0.5720117E-02 Gb(Abramov) 0.4000318E+00 Vb(Abramov) -0.5870178E+00 Hb(Abramov) -0.1869860E+00 Ex_ueg -0.1074552E+00 Ec_ueg -0.1413386E-01 Delta_ex -0.1025065E+00 Delta_ec 0.1900755E-01 Delta_et -0.2634472E+00 Pxc 0.7602680E+01 Qxc -0.5392934E+01 3,-1 148 3 -1 1.882592 3.069313 0.704329 Rho 0.1300679E+00 |GRAD(Rho)| 0.2100269E-13 GRAD(Rho)x 0.1619930E-13 GRAD(Rho)y 0.1240658E-13 GRAD(Rho)z 0.4977220E-14 Laplacian 0.5160277E+00 (-1/4)Del**2(Rho)) -0.1290069E+00 Diamond 0.8836094E+00 Metallicity 0.4458858E+01 Ellipticity 0.3804680E-01 Gb(Abramov) 0.1818752E+00 Vb(Abramov) -0.2347435E+00 Hb(Abramov) -0.5286828E-01 Ex_ueg -0.4867192E-01 Ec_ueg -0.7180060E-02 Delta_ex -0.5355585E-01 Delta_ec 0.1360900E-01 Delta_et -0.1774063E+00 Pxc 0.6778762E+01 Qxc -0.3935327E+01 3,-1 149 3 -1 -2.179498 1.545920 -1.193377 Rho 0.3060568E+00 |GRAD(Rho)| 0.3965754E-14 GRAD(Rho)x -0.2424450E-14 GRAD(Rho)y 0.4217699E-15 GRAD(Rho)z 0.3109880E-14 Laplacian -0.1522681E+01 (-1/4)Del**2(Rho)) 0.3806703E+00 Diamond 0.5186166E+01 Metallicity -0.6290343E+01 Ellipticity 0.1218619E-02 Gb(Abramov) 0.1453109E+00 Vb(Abramov) -0.6712922E+00 Hb(Abramov) -0.5259812E+00 Ex_ueg -0.1523308E+00 Ec_ueg -0.1912508E-01 Delta_ex 0.1484531E+00 Delta_ec 0.5410622E-01 Delta_et -0.1257585E+01 Pxc 0.7964978E+01 Qxc 0.2743734E+01 3,-1 150 3 -1 -0.485355 -3.069540 1.569524 Rho 0.2117892E+00 |GRAD(Rho)| 0.3977751E-15 GRAD(Rho)x 0.3799044E-15 GRAD(Rho)y -0.1137001E-15 GRAD(Rho)z -0.3114371E-16 Laplacian 0.8127524E+00 (-1/4)Del**2(Rho)) -0.2031881E+00 Diamond 0.2463365E+01 Metallicity 0.6380105E+01 Ellipticity 0.1822182E-01 Gb(Abramov) 0.3515190E+00 Vb(Abramov) -0.4998498E+00 Hb(Abramov) -0.1483309E+00 Ex_ueg -0.9323738E-01 Ec_ueg -0.1251082E-01 Delta_ex -0.9500345E-01 Delta_ec 0.1850506E-01 Delta_et -0.2543163E+00 Pxc 0.7452539E+01 Qxc -0.5133917E+01 3,-1 151 3 -1 0.809941 -3.197523 -0.897712 Rho 0.1304371E+00 |GRAD(Rho)| 0.1430336E-12 GRAD(Rho)x -0.1415078E-13 GRAD(Rho)y 0.1407537E-14 GRAD(Rho)z -0.1423250E-12 Laplacian 0.5406094E+00 (-1/4)Del**2(Rho)) -0.1351524E+00 Diamond 0.9120549E+00 Metallicity 0.4276266E+01 Ellipticity 0.1607196E-01 Gb(Abramov) 0.1864261E+00 Vb(Abramov) -0.2376999E+00 Hb(Abramov) -0.5127378E-01 Ex_ueg -0.4885622E-01 Ec_ueg -0.7203230E-02 Delta_ex -0.5594371E-01 Delta_ec 0.1388756E-01 Delta_et -0.1804494E+00 Pxc 0.6782543E+01 Qxc -0.4028333E+01 3,-1 152 3 -1 1.879018 3.054025 -0.711257 Rho 0.1253719E+00 |GRAD(Rho)| 0.2851838E-15 GRAD(Rho)x 0.2235151E-15 GRAD(Rho)y -0.8063754E-16 GRAD(Rho)z 0.1576972E-15 Laplacian 0.4948691E+00 (-1/4)Del**2(Rho)) -0.1237173E+00 Diamond 0.8122903E+00 Metallicity 0.4373103E+01 Ellipticity 0.3121848E-01 Gb(Abramov) 0.1726496E+00 Vb(Abramov) -0.2215819E+00 Hb(Abramov) -0.4893230E-01 Ex_ueg -0.4634311E-01 Ec_ueg -0.6886143E-02 Delta_ex -0.5092760E-01 Delta_ec 0.1320019E-01 Delta_et -0.1710922E+00 Pxc 0.6729908E+01 Qxc -0.3858095E+01 3,-1 153 3 -1 3.235186 3.124576 0.004928 Rho 0.2381623E+00 |GRAD(Rho)| 0.1309677E-13 GRAD(Rho)x -0.9059051E-14 GRAD(Rho)y -0.5210242E-14 GRAD(Rho)z 0.7893819E-14 Laplacian 0.8769890E+00 (-1/4)Del**2(Rho)) -0.2192473E+00 Diamond 0.3068662E+01 Metallicity 0.7190197E+01 Ellipticity 0.1520852E-02 Gb(Abramov) 0.4089033E+00 Vb(Abramov) -0.5985594E+00 Hb(Abramov) -0.1896561E+00 Ex_ueg -0.1090308E+00 Ec_ueg -0.1431217E-01 Delta_ex -0.1057218E+00 Delta_ec 0.1937496E-01 Delta_et -0.2681184E+00 Pxc 0.7618046E+01 Qxc -0.5456623E+01 3,-1 154 3 -1 3.099264 -0.734711 -0.918670 Rho 0.1286097E+00 |GRAD(Rho)| 0.2762805E-15 GRAD(Rho)x -0.1383798E-16 GRAD(Rho)y -0.2581756E-16 GRAD(Rho)z 0.2747233E-15 Laplacian 0.5458668E+00 (-1/4)Del**2(Rho)) -0.1364667E+00 Diamond 0.9063521E+00 Metallicity 0.4136655E+01 Ellipticity 0.9321465E-02 Gb(Abramov) 0.1850637E+00 Vb(Abramov) -0.2336608E+00 Hb(Abramov) -0.4859705E-01 Ex_ueg -0.4794574E-01 Ec_ueg -0.7088636E-02 Delta_ex -0.5630625E-01 Delta_ec 0.1409021E-01 Delta_et -0.1827114E+00 Pxc 0.6763746E+01 Qxc -0.3996126E+01 3,-1 155 3 -1 3.082313 -0.774682 0.880332 Rho 0.1372493E+00 |GRAD(Rho)| 0.2055468E-12 GRAD(Rho)x -0.1133127E-13 GRAD(Rho)y -0.1893800E-12 GRAD(Rho)z -0.7909680E-13 Laplacian 0.5769191E+00 (-1/4)Del**2(Rho)) -0.1442298E+00 Diamond 0.1051337E+01 Metallicity 0.4361960E+01 Ellipticity 0.1463974E-01 Gb(Abramov) 0.2010073E+00 Vb(Abramov) -0.2577848E+00 Hb(Abramov) -0.5677749E-01 Ex_ueg -0.5228757E-01 Ec_ueg -0.7632349E-02 Delta_ex -0.6063133E-01 Delta_ec 0.1497112E-01 Delta_et -0.1967390E+00 Pxc 0.6850783E+01 Qxc -0.4049886E+01 3,-1 156 3 -1 -1.324855 -3.078222 -0.584510 Rho 0.3079265E+00 |GRAD(Rho)| 0.2685734E-12 GRAD(Rho)x -0.2772423E-13 GRAD(Rho)y -0.1971535E-12 GRAD(Rho)z -0.1802597E-12 Laplacian -0.1509715E+01 (-1/4)Del**2(Rho)) 0.3774287E+00 Diamond 0.5158582E+01 Metallicity -0.6409093E+01 Ellipticity 0.6808158E-02 Gb(Abramov) 0.1515435E+00 Vb(Abramov) -0.6805157E+00 Hb(Abramov) -0.5289722E+00 Ex_ueg -0.1535728E+00 Ec_ueg -0.1926121E-01 Delta_ex 0.1476250E+00 Delta_ec 0.5349889E-01 Delta_et -0.1247094E+01 Pxc 0.7973167E+01 Qxc 0.2759403E+01 3,-1 157 3 -1 3.899539 -0.620433 -2.232464 Rho 0.2260775E+00 |GRAD(Rho)| 0.1357614E-13 GRAD(Rho)x 0.1188025E-13 GRAD(Rho)y 0.5665810E-14 GRAD(Rho)z -0.3327118E-14 Laplacian 0.8029604E+00 (-1/4)Del**2(Rho)) -0.2007401E+00 Diamond 0.2664388E+01 Metallicity 0.7200254E+01 Ellipticity 0.9278864E-02 Gb(Abramov) 0.3747233E+00 Vb(Abramov) -0.5487066E+00 Hb(Abramov) -0.1739832E+00 Ex_ueg -0.1017173E+00 Ec_ueg -0.1348200E-01 Delta_ex -0.9564104E-01 Delta_ec 0.1827302E-01 Delta_et -0.2533889E+00 Pxc 0.7544673E+01 Qxc -0.5234003E+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 68 116 151 110 128 112 121 85 81 127 98 78 86 80 135 155 144 140 138 147 87 90 68 84 93 153 134 142 143 152 148 88 107 74 115 95 124 117 150 111 104 131 122 130 145 154 137 141 157 82 99 64 79 108 77 105 50 49 73 58 54 103 106 65 52 48 149 62 156 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 14 14 14 14 15 16 17 19 21 21 23 26 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 19 28 36 45 46 36 36 47 23 28 46 45 47 2.439032 1.945823 1.954655 1.964229 1.908685 1.740175 1.752264 2.368089 1.932526 1.902876 1.987962 1.936574 1.744000 2.543139 1.947995 2.041696 1.863584 1.857093 1.750688 2.352482 1.930117 1.749485 2.199071 2.046617 1.746180 2.402772 1.890663 1.865827 1.996646 1.980944 1.749019 2.421710 1.752938 2.002934 1.980391 2.146919 2.368769 1.792270 1.962017 1.951457 2.106986 1.756903 2.583991 1.992784 1.949981 1.841618 1.939716 1.739905 2.424592 1.976704 1.940843 1.734015 1.926437 1.943552 1.722666 3.245794 3.217133 1.685127 1.730843 1.719196 1.750321 1.729231 1.692607 2.980550 2.993166 1.009294 1.007486 1.008526 2.440588 1.946591 1.955779 1.964945 1.909445 1.740194 1.752299 2.369629 1.933953 1.903420 1.988506 1.937140 1.744008 2.544753 1.948479 2.042038 1.863946 1.857489 1.750702 2.354212 1.930621 1.749567 2.199840 2.047286 1.746187 2.404589 1.891122 1.866254 1.997213 1.981497 1.749057 2.423332 1.753048 2.003453 1.981139 2.147708 2.370315 1.792362 1.962396 1.952047 2.107517 1.756923 2.585716 1.993443 1.950629 1.842165 1.940319 1.739921 2.425955 1.977418 1.942536 1.734031 1.927200 1.944245 1.722721 3.274700 3.247963 1.685222 1.736609 1.724281 1.750338 1.729289 1.694896 2.988071 3.003133 1.009379 1.007575 1.008605 27 25 23 25 24 24 23 27 26 26 25 26 24 29 24 25 24 24 23 27 25 24 27 25 22 29 26 23 24 25 24 27 24 26 24 28 27 23 24 25 27 24 29 24 25 22 25 22 27 25 28 23 25 28 23 35 35 23 25 26 24 22 25 34 34 18 21 17 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 Mo O W W Mo W Mo O O W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H H 2.2653 -0.7707 2.4368 2.4235 2.2209 2.4765 2.2106 -0.8144 -0.7680 2.3572 2.2664 2.2969 -1.0865 -0.9135 -1.1177 -1.0942 -0.8700 -0.9302 -0.7314 -0.9362 -0.7505 -0.9449 -0.7840 -0.9422 -0.9481 -0.7778 -0.9534 -0.7266 -0.8897 -0.7337 -0.9350 -0.9682 -0.9176 -0.9273 -0.9692 2.2533 -0.8407 -0.9509 -0.9178 -0.9810 -0.7472 -0.7558 -0.8077 -0.8352 0.2805 0.2783 0.2711 1.9555 1.9663 2.1046 2.0995 1.9748 2.0872 2.0026 1.9615 1.9672 2.1238 1.9617 1.9795 1.9385 1.9569 1.9287 1.9362 1.9555 1.9369 1.9722 1.9344 1.8775 1.9334 1.8757 1.9339 1.9324 1.8772 1.9345 1.9736 1.9538 1.9730 1.9438 1.9401 1.9437 1.9414 1.9423 0.8780 1.9563 1.9434 1.9476 1.9418 1.9694 1.9705 1.9618 1.9584 0.5594 0.5598 0.5640 6.1099 4.7746 6.1033 6.0974 6.1035 6.0859 6.1041 4.8187 4.7707 6.1179 6.1015 6.0762 5.1134 4.9207 5.1547 5.1232 4.8819 4.9687 4.7284 4.9732 4.8444 4.9852 4.8777 4.9811 4.9888 4.8717 4.9885 4.7218 4.9093 4.7284 4.9624 4.9996 4.9461 4.9568 4.9959 1.3116 4.8519 4.9791 4.9442 5.0080 4.7463 4.7536 4.8114 4.8433 0.1601 0.1618 0.1649 3.6693 0.0298 3.3261 3.3504 3.7008 3.3207 3.6828 0.0343 0.0301 3.3722 3.6703 3.6475 0.0346 0.0359 0.0344 0.0347 0.0326 0.0245 0.0308 0.0287 0.0286 0.0263 0.0306 0.0272 0.0269 0.0289 0.0304 0.0312 0.0266 0.0324 0.0288 0.0285 0.0277 0.0290 0.0309 10.5570 0.0325 0.0285 0.0261 0.0312 0.0315 0.0317 0.0345 0.0336 0.0000 0.0000 0.0000 0.0000 0.0000 14.0292 14.0292 0.0000 14.0297 0.0000 0.0000 0.0000 14.0289 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 Mo O W W Mo W Mo O O W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H H 3.167693 -1.047743 2.507328 2.491927 3.139471 2.508104 3.139770 -0.853276 -1.048531 2.479648 3.170133 3.165994 -1.194072 -0.839840 -1.139747 -1.127538 -0.834168 -1.211379 -1.012694 -1.072052 -0.746331 -1.098491 -0.632380 -1.086384 -1.081367 -0.770040 -0.960919 -1.004740 -1.153652 -1.006360 -1.076082 -1.085407 -1.191413 -1.076994 -0.969528 2.293846 -0.890447 -1.046701 -1.164102 -0.962790 -1.026199 -1.030132 -0.845407 -0.878782 0.039474 0.034353 0.027949 2.343861 -0.831751 1.953315 1.935771 2.352203 1.942923 2.337278 -0.753639 -0.842452 1.932556 2.358042 2.345466 -0.879476 -0.688018 -0.787594 -0.783243 -0.752699 -0.932447 -0.816294 -0.831141 -0.851354 -0.820798 -0.774898 -0.819122 -0.830051 -0.881244 -0.736296 -0.796247 -0.958859 -0.770832 -0.872596 -0.885015 -0.956845 -0.869316 -0.810451 1.692654 -0.793027 -0.890564 -0.937159 -0.787597 -0.795129 -0.811152 -0.728864 -0.783108 0.291352 0.298094 0.275764 2.491340 -0.805065 2.033061 2.032501 2.426106 2.043439 2.425526 -0.712351 -0.821912 2.031067 2.445518 2.433218 -0.931619 -0.690278 -0.849607 -0.831060 -0.801327 -1.019535 -0.835493 -0.906186 -0.948610 -0.920280 -0.819188 -0.917716 -0.909479 -0.924516 -0.810224 -0.815341 -0.978941 -0.745110 -0.913742 -0.951162 -0.997757 -0.912810 -0.830671 1.661199 -0.770761 -0.915369 -1.000510 -0.833583 -0.791248 -0.775817 -0.704672 -0.752683 0.360112 0.423549 0.337988 -19.33368848 0.69788503 -2.60044551 19.52026820 62.87048145 17.00013110 -4.36889475 -24.93220030 2.45304309 -37.93828116 -296.0916 358.0911 -79.7448 -328.9717 -44.6611 -391.3780 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Jun10-2024 15:28:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:07 Nodes: 1 Procs: 1 Jun10-2024 15:29:12 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:18 Nodes: 1 Procs: 1 Jun10-2024 15:29:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:28 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -14.23257361 -14.35994523 -14.37540414 -14.37843617 -14.37970604 -14.38064794 -14.38136700 -14.38165917 -14.38210809 -14.38228276 -14.38241968 -14.38253451 -14.38259776 -14.38270816 -14.38272925 -14.38275410 -14.38277904 -14.38280055 -14.38282316 -14.38283896 -14.38285819 -14.38287821 GEOMETRY CONVERGED