ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:21 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.53 0.04 0.86 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 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.06 0.05 1.35 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 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 1.38 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 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.03 1.08 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 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:52 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:03 Hydrogen (TZP) c10-25 c10-25 c10-25 c10-25 c10-25 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.05 2.18 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 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:52 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:21 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2369.5382000000013 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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.W ADF 2019.304 Jun10-2024 15:29:08 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun10-2024 15:28:46 1 1 Arsenic TZP 3p t21.Mo ADF 2019.304 Jun10-2024 15:28:35 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun10-2024 15:28:56 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun10-2024 15:28:25 1 1 Hydrogen TZP 1 1 -15.90497725 0.30151075 0.00100000 F 0.09947719 0.00066667 F 0.30151075 0.09947719 0.24714566 0.01000000 F 0.06826181 0.00666667 F Cartesian 2369.5382000000013 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3,-3 31 3 -3 3.441405 1.492118 -1.477288 Rho 0.3190237E+03 3,-3 32 3 -3 -3.447770 1.544124 1.612896 Rho 0.3190312E+03 3,-3 33 3 -3 1.440048 -1.498418 3.451693 Rho 0.3189459E+03 3,-3 34 3 -3 1.536081 1.461537 -3.418088 Rho 0.3191203E+03 3,-3 35 3 -3 -1.511221 1.536464 3.454472 Rho 0.3190199E+03 3,-3 36 3 -3 -1.821921 -1.437503 -3.812060 Rho 0.3193102E+03 3,-3 37 3 -3 -1.599129 -3.656187 -1.265025 Rho 0.3187358E+03 3,-3 38 3 -3 -1.503992 3.416661 1.531751 Rho 0.3191152E+03 3,-3 39 3 -3 1.499599 -3.421889 1.547454 Rho 0.3189641E+03 3,-3 40 3 -3 1.545180 3.364827 -1.529017 Rho 0.3190306E+03 3,-3 41 3 -3 -0.222895 -3.786333 3.746849 Rho 0.3193351E+03 3,-3 42 3 -3 3.853722 -0.118359 -3.774907 Rho 0.3194576E+03 3,-3 43 3 -3 -0.227926 3.715176 -3.714271 Rho 0.3194780E+03 3,-3 44 3 -3 0.241903 3.781458 3.729677 Rho 0.3194690E+03 3,-3 45 3 -3 3.761927 -3.755938 -0.210499 Rho 0.3192897E+03 3,-3 46 3 -3 3.773016 3.716912 0.216212 Rho 0.3193403E+03 3,-3 47 3 -3 -3.823481 3.722561 -0.187865 Rho 0.3194510E+03 3,-3 48 3 -3 -3.903815 -3.613046 0.276028 Rho 0.3193442E+03 3,-3 49 3 -3 -3.859897 0.361321 -3.618799 Rho 0.3192795E+03 3,-3 50 3 -3 -3.716226 -0.212980 3.815474 Rho 0.3193372E+03 3,-3 51 3 -3 3.695736 0.186088 3.798658 Rho 0.3193285E+03 3,-3 52 3 -3 1.166568 -1.983082 -2.374630 Rho 0.4221282E+00 3,-3 53 3 -3 -0.627475 -3.429643 -1.278982 Rho 0.4393058E+00 3,-3 54 3 +1 -2.210635 1.309862 1.183365 Rho 0.2747154E-01 |GRAD(Rho)| 0.1089637E-15 GRAD(Rho)x -0.9581499E-16 GRAD(Rho)y 0.4629068E-16 GRAD(Rho)z 0.2344674E-16 Laplacian 0.1097357E+00 (-1/4)Del**2(Rho)) -0.2743393E-01 Diamond 0.1688092E-01 Metallicity 0.1570617E+01 Ellipticity -0.4859311E+01 Gb(Abramov) 0.2547065E-01 Vb(Abramov) -0.2350737E-01 Hb(Abramov) 0.1963277E-02 Ex_ueg -0.6122035E-02 Ec_ueg -0.1213940E-02 Delta_ex -0.7051159E-02 Delta_ec 0.1954297E-02 Delta_et -0.1763527E-01 Pxc 0.5043112E+01 Qxc -0.3608028E+01 3,+1 55 3 +1 -0.234437 -2.339525 -1.108941 Rho 0.7563016E-02 |GRAD(Rho)| 0.4356062E-13 GRAD(Rho)x -0.1057561E-13 GRAD(Rho)y 0.1132217E-13 GRAD(Rho)z 0.4071232E-13 Laplacian 0.3009264E-01 (-1/4)Del**2(Rho)) -0.7523159E-02 Diamond 0.8833569E-03 Metallicity 0.6672849E+00 Ellipticity -0.1755143E+01 Gb(Abramov) 0.5852121E-02 Vb(Abramov) -0.4181083E-02 Hb(Abramov) 0.1671038E-02 Ex_ueg -0.1096424E-02 Ec_ueg -0.2588242E-03 Delta_ex -0.1441868E-02 Delta_ec 0.6213843E-03 Delta_et -0.3941901E-02 Pxc 0.4236171E+01 Qxc -0.2320412E+01 3,+1 56 3 +1 -2.898126 0.238420 0.241458 Rho 0.6045239E-02 |GRAD(Rho)| 0.1434471E-17 GRAD(Rho)x -0.7487789E-18 GRAD(Rho)y 0.1205080E-17 GRAD(Rho)z -0.2117076E-18 Laplacian 0.2540179E-01 (-1/4)Del**2(Rho)) -0.6350447E-02 Diamond 0.7083240E-03 Metallicity 0.5442160E+00 Ellipticity -0.2621117E+01 Gb(Abramov) 0.4809634E-02 Vb(Abramov) -0.3268821E-02 Hb(Abramov) 0.1540813E-02 Ex_ueg -0.8133354E-03 Ec_ueg -0.1921673E-03 Delta_ex -0.1270110E-02 Delta_ec 0.7273184E-03 Delta_et -0.4209792E-02 Pxc 0.4232433E+01 Qxc -0.1746292E+01 3,+1 57 3 +1 -2.897664 -0.249729 -0.288053 Rho 0.5639800E-02 |GRAD(Rho)| 0.1007509E-16 GRAD(Rho)x 0.9642019E-18 GRAD(Rho)y -0.6485883E-17 GRAD(Rho)z 0.7649248E-17 Laplacian 0.2339379E-01 (-1/4)Del**2(Rho)) -0.5848448E-02 Diamond 0.4642406E-03 Metallicity 0.5263630E+00 Ellipticity -0.1432931E+01 Gb(Abramov) 0.4412033E-02 Vb(Abramov) -0.2975618E-02 Hb(Abramov) 0.1436415E-02 Ex_ueg -0.7414297E-03 Ec_ueg -0.1745491E-03 Delta_ex -0.1050569E-02 Delta_ec 0.4864535E-03 Delta_et -0.2838629E-02 Pxc 0.4247687E+01 Qxc -0.2159649E+01 3,+1 58 3 -1 -2.987097 0.869718 2.070722 Rho 0.1280690E+00 |GRAD(Rho)| 0.3044119E-15 GRAD(Rho)x -0.9519973E-16 GRAD(Rho)y 0.2566307E-15 GRAD(Rho)z -0.1332078E-15 Laplacian 0.5064614E+00 (-1/4)Del**2(Rho)) -0.1266154E+00 Diamond 0.8510498E+00 Metallicity 0.4427314E+01 Ellipticity 0.3459639E-01 Gb(Abramov) 0.1778379E+00 Vb(Abramov) -0.2290605E+00 Hb(Abramov) -0.5122255E-01 Ex_ueg -0.4767718E-01 Ec_ueg -0.7054775E-02 Delta_ex -0.5236516E-01 Delta_ec 0.1340187E-01 Delta_et -0.1742549E+00 Pxc 0.6758144E+01 Qxc -0.3907303E+01 3,-1 59 3 +1 -2.241606 -1.193358 -1.352696 Rho 0.3158774E-01 |GRAD(Rho)| 0.4893435E-15 GRAD(Rho)x -0.2820870E-15 GRAD(Rho)y 0.1376663E-15 GRAD(Rho)z -0.3754090E-15 Laplacian 0.1325277E+00 (-1/4)Del**2(Rho)) -0.3313193E-01 Diamond 0.2537471E-01 Metallicity 0.1641234E+01 Ellipticity -0.6585359E+01 Gb(Abramov) 0.3115083E-01 Vb(Abramov) -0.2916973E-01 Hb(Abramov) 0.1981099E-02 Ex_ueg -0.7374678E-02 Ec_ueg -0.1425792E-02 Delta_ex -0.8893233E-02 Delta_ec 0.2454820E-02 Delta_et -0.2290907E-01 Pxc 0.5172339E+01 Qxc -0.3622764E+01 3,+1 60 3 -1 -3.316923 -3.103627 0.100939 Rho 0.2456003E+00 |GRAD(Rho)| 0.1128678E-14 GRAD(Rho)x -0.7844203E-15 GRAD(Rho)y -0.8033938E-15 GRAD(Rho)z 0.1147086E-15 Laplacian 0.9125057E+00 (-1/4)Del**2(Rho)) -0.2281264E+00 Diamond 0.3297025E+01 Metallicity 0.7273763E+01 Ellipticity 0.1443570E-02 Gb(Abramov) 0.4286405E+00 Vb(Abramov) -0.6291546E+00 Hb(Abramov) -0.2005141E+00 Ex_ueg -0.1135944E+00 Ec_ueg -0.1482711E-01 Delta_ex -0.1108074E+00 Delta_ec 0.1982529E-01 Delta_et -0.2739259E+00 Pxc 0.7661266E+01 Qxc -0.5589191E+01 3,-1 61 3 +3 -1.124865 -1.106125 1.164847 Rho 0.5512749E-02 |GRAD(Rho)| 0.3085919E-11 GRAD(Rho)x 0.1710183E-11 GRAD(Rho)y -0.6957524E-12 GRAD(Rho)z 0.2472671E-11 Laplacian 0.2153444E-01 (-1/4)Del**2(Rho)) -0.5383610E-02 Diamond 0.1678294E-03 Metallicity 0.5505032E+00 Ellipticity -0.1878900E+00 Gb(Abramov) 0.4083023E-02 Vb(Abramov) -0.2782435E-02 Hb(Abramov) 0.1300588E-02 Ex_ueg -0.7192435E-03 Ec_ueg -0.1690448E-03 Delta_ex -0.7611708E-03 Delta_ec 0.8890190E-04 Delta_et -0.7325192E-03 Pxc 0.4254752E+01 Qxc -0.8561919E+01 3,+3 62 3 -1 -3.049137 -1.988114 -0.874615 Rho 0.1521231E+00 |GRAD(Rho)| 0.4506146E-15 GRAD(Rho)x 0.9783569E-16 GRAD(Rho)y 0.2526191E-15 GRAD(Rho)z -0.3600906E-15 Laplacian 0.5954365E+00 (-1/4)Del**2(Rho)) -0.1488591E+00 Diamond 0.1231972E+01 Metallicity 0.5016911E+01 Ellipticity 0.6486185E-01 Gb(Abramov) 0.2237083E+00 Vb(Abramov) -0.2985574E+00 Hb(Abramov) -0.7484912E-01 Ex_ueg -0.5997616E-01 Ec_ueg -0.8579562E-02 Delta_ex -0.6421248E-01 Delta_ec 0.1513822E-01 Delta_et -0.2021069E+00 Pxc 0.6990585E+01 Qxc -0.4241746E+01 3,-1 63 3 +1 1.670270 -0.537241 -0.548934 Rho 0.8131492E-02 |GRAD(Rho)| 0.6460598E-14 GRAD(Rho)x -0.3921673E-14 GRAD(Rho)y -0.2612076E-14 GRAD(Rho)z 0.4420053E-14 Laplacian 0.3175202E-01 (-1/4)Del**2(Rho)) -0.7938004E-02 Diamond 0.7823646E-03 Metallicity 0.7136067E+00 Ellipticity -0.1414356E+01 Gb(Abramov) 0.6236105E-02 Vb(Abramov) -0.4534206E-02 Hb(Abramov) 0.1701899E-02 Ex_ueg -0.1207662E-02 Ec_ueg -0.2840668E-03 Delta_ex -0.1427791E-02 Delta_ec 0.4425321E-03 Delta_et -0.2984881E-02 Pxc 0.4251331E+01 Qxc -0.3226413E+01 3,+1 64 3 -1 -3.055847 1.975552 0.912712 Rho 0.1407651E+00 |GRAD(Rho)| 0.5034264E-13 GRAD(Rho)x 0.1301340E-13 GRAD(Rho)y 0.2698697E-13 GRAD(Rho)z -0.4045660E-13 Laplacian 0.5411198E+00 (-1/4)Del**2(Rho)) -0.1352800E+00 Diamond 0.1013249E+01 Metallicity 0.4850776E+01 Ellipticity 0.5210791E-01 Gb(Abramov) 0.1995554E+00 Vb(Abramov) -0.2638309E+00 Hb(Abramov) -0.6427547E-01 Ex_ueg -0.5408102E-01 Ec_ueg -0.7854991E-02 Delta_ex -0.5718452E-01 Delta_ec 0.1389271E-01 Delta_et -0.1831375E+00 Pxc 0.6884924E+01 Qxc -0.4116153E+01 3,-1 65 3 -1 -2.754104 0.491614 -1.851208 Rho 0.6785556E-01 |GRAD(Rho)| 0.1126430E-15 GRAD(Rho)x -0.7327428E-16 GRAD(Rho)y 0.6358168E-16 GRAD(Rho)z -0.5724249E-16 Laplacian 0.2837409E+00 (-1/4)Del**2(Rho)) -0.7093522E-01 Diamond 0.2200234E+00 Metallicity 0.2741576E+01 Ellipticity 0.9969105E-02 Gb(Abramov) 0.7970253E-01 Vb(Abramov) -0.8846984E-01 Hb(Abramov) -0.8767313E-02 Ex_ueg -0.2044085E-01 Ec_ueg -0.3423362E-02 Delta_ex -0.2530569E-01 Delta_ec 0.8545755E-02 Delta_et -0.9745699E-01 Pxc 0.5970988E+01 Qxc -0.2961201E+01 3,-1 66 3 -1 -3.281140 3.143627 -0.041805 Rho 0.2305899E+00 |GRAD(Rho)| 0.5387427E-15 GRAD(Rho)x -0.1244122E-15 GRAD(Rho)y -0.5239407E-15 GRAD(Rho)z 0.1585646E-16 Laplacian 0.8353956E+00 (-1/4)Del**2(Rho)) -0.2088489E+00 Diamond 0.2818545E+01 Metallicity 0.7152450E+01 Ellipticity 0.1024651E-01 Gb(Abramov) 0.3881962E+00 Vb(Abramov) -0.5675434E+00 Hb(Abramov) -0.1793473E+00 Ex_ueg -0.1044333E+00 Ec_ueg -0.1379105E-01 Delta_ex -0.9990214E-01 Delta_ec 0.1870112E-01 Delta_et -0.2587550E+00 Pxc 0.7572540E+01 Qxc -0.5342041E+01 3,-1 67 3 -1 -2.992070 -0.945183 -2.079364 Rho 0.1296983E+00 |GRAD(Rho)| 0.5226668E-15 GRAD(Rho)x 0.1975416E-15 GRAD(Rho)y 0.3545070E-15 GRAD(Rho)z -0.3293671E-15 Laplacian 0.4966704E+00 (-1/4)Del**2(Rho)) -0.1241676E+00 Diamond 0.8593502E+00 Metallicity 0.4610722E+01 Ellipticity 0.3096613E-01 Gb(Abramov) 0.1781954E+00 Vb(Abramov) -0.2322233E+00 Hb(Abramov) -0.5402785E-01 Ex_ueg -0.4848763E-01 Ec_ueg -0.7156878E-02 Delta_ex -0.5165411E-01 Delta_ec 0.1336192E-01 Delta_et -0.1745754E+00 Pxc 0.6774970E+01 Qxc -0.3865769E+01 3,-1 68 3 -1 -2.811194 -1.748566 0.574171 Rho 0.1405510E+00 |GRAD(Rho)| 0.2834147E-15 GRAD(Rho)x 0.7639898E-16 GRAD(Rho)y -0.2417771E-16 GRAD(Rho)z -0.2718501E-15 Laplacian 0.5904336E+00 (-1/4)Del**2(Rho)) -0.1476084E+00 Diamond 0.1103368E+01 Metallicity 0.4434371E+01 Ellipticity 0.1203869E-01 Gb(Abramov) 0.2074973E+00 Vb(Abramov) -0.2673863E+00 Hb(Abramov) -0.5988894E-01 Ex_ueg -0.5397140E-01 Ec_ueg -0.7841414E-02 Delta_ex -0.6237056E-01 Delta_ec 0.1516051E-01 Delta_et -0.1997965E+00 Pxc 0.6882866E+01 Qxc -0.4114014E+01 3,-1 69 3 -1 -2.755850 -0.524836 1.840888 Rho 0.1364922E+00 |GRAD(Rho)| 0.2842592E-13 GRAD(Rho)x 0.1433647E-13 GRAD(Rho)y -0.1800074E-14 GRAD(Rho)z -0.2447975E-13 Laplacian 0.5680333E+00 (-1/4)Del**2(Rho)) -0.1420083E+00 Diamond 0.1029767E+01 Metallicity 0.4389538E+01 Ellipticity 0.7321756E-02 Gb(Abramov) 0.1985640E+00 Vb(Abramov) -0.2551198E+00 Hb(Abramov) -0.5655572E-01 Ex_ueg -0.5190334E-01 Ec_ueg -0.7584507E-02 Delta_ex -0.5963407E-01 Delta_ec 0.1479011E-01 Delta_et -0.1942541E+00 Pxc 0.6843337E+01 Qxc -0.4032024E+01 3,-1 70 3 +1 -0.553556 -0.566601 1.675209 Rho 0.8626174E-02 |GRAD(Rho)| 0.9877499E-13 GRAD(Rho)x -0.3044025E-13 GRAD(Rho)y -0.3213247E-13 GRAD(Rho)z 0.8830286E-13 Laplacian 0.3380358E-01 (-1/4)Del**2(Rho)) -0.8450894E-02 Diamond 0.8878778E-03 Metallicity 0.7396295E+00 Ellipticity -0.1415645E+01 Gb(Abramov) 0.6675685E-02 Vb(Abramov) -0.4900475E-02 Hb(Abramov) 0.1775210E-02 Ex_ueg -0.1306600E-02 Ec_ueg -0.3061514E-03 Delta_ex -0.1536267E-02 Delta_ec 0.4592433E-03 Delta_et -0.3154695E-02 Pxc 0.4267824E+01 Qxc -0.3345213E+01 3,+1 71 3 -1 -2.915806 0.103025 0.094949 Rho 0.6079437E-02 |GRAD(Rho)| 0.3196383E-15 GRAD(Rho)x 0.6476398E-16 GRAD(Rho)y 0.2564607E-15 GRAD(Rho)z 0.1794496E-15 Laplacian 0.2457243E-01 (-1/4)Del**2(Rho)) -0.6143108E-02 Diamond 0.8576538E-03 Metallicity 0.5678983E+00 Ellipticity 0.1719157E+01 Gb(Abramov) 0.4676849E-02 Vb(Abramov) -0.3210590E-02 Hb(Abramov) 0.1466259E-02 Ex_ueg -0.8194759E-03 Ec_ueg -0.1936571E-03 Delta_ex -0.1349718E-02 Delta_ec 0.9172066E-03 Delta_et -0.5225292E-02 Pxc 0.4231582E+01 Qxc -0.1471553E+01 3,-1 72 3 -1 0.235227 -1.196108 -1.920426 Rho 0.6636248E-02 |GRAD(Rho)| 0.2025816E-15 GRAD(Rho)x 0.1744218E-15 GRAD(Rho)y -0.9963886E-16 GRAD(Rho)z 0.2623826E-16 Laplacian 0.2663174E-01 (-1/4)Del**2(Rho)) -0.6657935E-02 Diamond 0.1092076E-02 Metallicity 0.6063890E+00 Ellipticity 0.4677577E+00 Gb(Abramov) 0.5111507E-02 Vb(Abramov) -0.3565078E-02 Hb(Abramov) 0.1546429E-02 Ex_ueg -0.9210472E-03 Ec_ueg -0.2179929E-03 Delta_ex -0.1516612E-02 Delta_ec 0.1046682E-02 Delta_et -0.6106667E-02 Pxc 0.4225126E+01 Qxc -0.1448971E+01 3,-1 73 3 +1 -0.588952 1.668451 -0.516309 Rho 0.8457582E-02 |GRAD(Rho)| 0.5773350E-15 GRAD(Rho)x -0.1510881E-15 GRAD(Rho)y -0.2465069E-15 GRAD(Rho)z 0.4997224E-15 Laplacian 0.3223374E-01 (-1/4)Del**2(Rho)) -0.8058436E-02 Diamond 0.8404274E-03 Metallicity 0.7505497E+00 Ellipticity -0.1460022E+01 Gb(Abramov) 0.6380333E-02 Vb(Abramov) -0.4702231E-02 Hb(Abramov) 0.1678103E-02 Ex_ueg -0.1272663E-02 Ec_ueg -0.2986125E-03 Delta_ex -0.1465075E-02 Delta_ec 0.4512935E-03 Delta_et -0.3073216E-02 Pxc 0.4261921E+01 Qxc -0.3246390E+01 3,+1 74 3 +1 -1.707153 0.513105 -0.539386 Rho 0.9563884E-02 |GRAD(Rho)| 0.3017083E-16 GRAD(Rho)x -0.2823055E-16 GRAD(Rho)y 0.8127261E-17 GRAD(Rho)z -0.6874784E-17 Laplacian 0.3654638E-01 (-1/4)Del**2(Rho)) -0.9136595E-02 Diamond 0.1179711E-02 Metallicity 0.8125049E+00 Ellipticity -0.1579659E+01 Gb(Abramov) 0.7328318E-02 Vb(Abramov) -0.5520041E-02 Hb(Abramov) 0.1808277E-02 Ex_ueg -0.1499331E-02 Ec_ueg -0.3483107E-03 Delta_ex -0.1734550E-02 Delta_ec 0.5486164E-03 Delta_et -0.3826300E-02 Pxc 0.4304579E+01 Qxc -0.3161680E+01 3,+1 75 3 +3 -1.156675 1.148245 -1.094919 Rho 0.5371322E-02 |GRAD(Rho)| 0.2829534E-14 GRAD(Rho)x -0.1471854E-14 GRAD(Rho)y 0.9474556E-15 GRAD(Rho)z -0.2223115E-14 Laplacian 0.2066991E-01 (-1/4)Del**2(Rho)) -0.5167478E-02 Diamond 0.1548941E-03 Metallicity 0.5492160E+00 Ellipticity -0.2941262E+00 Gb(Abramov) 0.3917995E-02 Vb(Abramov) -0.2668513E-02 Hb(Abramov) 0.1249482E-02 Ex_ueg -0.6947469E-03 Ec_ueg -0.1629271E-03 Delta_ex -0.7248432E-03 Delta_ec 0.8450457E-04 Delta_et -0.6959300E-03 Pxc 0.4264157E+01 Qxc -0.8577562E+01 3,+3 76 3 -1 -2.055048 -3.099536 -0.711382 Rho 0.1499142E+00 |GRAD(Rho)| 0.9523972E-12 GRAD(Rho)x 0.5318474E-12 GRAD(Rho)y -0.5513912E-12 GRAD(Rho)z -0.5658327E-12 Laplacian 0.5585965E+00 (-1/4)Del**2(Rho)) -0.1396491E+00 Diamond 0.1159112E+01 Metallicity 0.5218987E+01 Ellipticity 0.1184185E+00 Gb(Abramov) 0.2145706E+00 Vb(Abramov) -0.2894920E+00 Hb(Abramov) -0.7492146E-01 Ex_ueg -0.5881779E-01 Ec_ueg -0.8438022E-02 Delta_ex -0.6025762E-01 Delta_ec 0.1467136E-01 Delta_et -0.1964334E+00 Pxc 0.6970567E+01 Qxc -0.4107161E+01 3,-1 77 3 -1 -1.875682 -2.733064 0.596857 Rho 0.1250553E+00 |GRAD(Rho)| 0.2012459E-15 GRAD(Rho)x 0.1570331E-15 GRAD(Rho)y -0.2023053E-16 GRAD(Rho)z 0.1242225E-15 Laplacian 0.5211402E+00 (-1/4)Del**2(Rho)) -0.1302851E+00 Diamond 0.8537768E+00 Metallicity 0.4135191E+01 Ellipticity 0.2416576E-01 Gb(Abramov) 0.1766490E+00 Vb(Abramov) -0.2230129E+00 Hb(Abramov) -0.4636391E-01 Ex_ueg -0.4618716E-01 Ec_ueg -0.6866385E-02 Delta_ex -0.5361092E-01 Delta_ec 0.1393099E-01 Delta_et -0.1805249E+00 Pxc 0.6726563E+01 Qxc -0.3848321E+01 3,-1 78 3 +1 -0.642812 -1.651510 0.522472 Rho 0.9112772E-02 |GRAD(Rho)| 0.5882999E-15 GRAD(Rho)x -0.1977886E-16 GRAD(Rho)y 0.3373689E-15 GRAD(Rho)z -0.4815473E-15 Laplacian 0.3471673E-01 (-1/4)Del**2(Rho)) -0.8679183E-02 Diamond 0.1008202E-02 Metallicity 0.7891481E+00 Ellipticity -0.1502715E+01 Gb(Abramov) 0.6927649E-02 Vb(Abramov) -0.5176114E-02 Hb(Abramov) 0.1751534E-02 Ex_ueg -0.1405786E-02 Ec_ueg -0.3279809E-03 Delta_ex -0.1610650E-02 Delta_ec 0.4906071E-03 Delta_et -0.3401825E-02 Pxc 0.4286181E+01 Qxc -0.3282973E+01 3,+1 79 3 -1 0.000067 -3.301707 -1.225582 Rho 0.2882173E-01 |GRAD(Rho)| 0.2221234E-16 GRAD(Rho)x 0.2140597E-16 GRAD(Rho)y -0.5465649E-17 GRAD(Rho)z -0.2302015E-17 Laplacian 0.9162214E-01 (-1/4)Del**2(Rho)) -0.2290553E-01 Diamond 0.3433931E-01 Metallicity 0.2037728E+01 Ellipticity 0.5731466E-02 Gb(Abramov) 0.2304956E-01 Vb(Abramov) -0.2319359E-01 Hb(Abramov) -0.1440282E-03 Ex_ueg -0.6526471E-02 Ec_ueg -0.1282992E-02 Delta_ex -0.7695585E-02 Delta_ec 0.4724728E-02 Delta_et -0.4277395E-01 Pxc 0.5086914E+01 Qxc -0.1628789E+01 3,-1 80 3 +3 -0.103416 -2.398516 -0.104691 Rho 0.4108773E-02 |GRAD(Rho)| 0.2657725E-17 GRAD(Rho)x -0.1601410E-18 GRAD(Rho)y -0.1948389E-17 GRAD(Rho)z 0.1800455E-17 Laplacian 0.1655274E-01 (-1/4)Del**2(Rho)) -0.4138186E-02 Diamond 0.1274532E-03 Metallicity 0.4387969E+00 Ellipticity -0.2871201E+00 Gb(Abramov) 0.3061427E-02 Vb(Abramov) -0.1984669E-02 Hb(Abramov) 0.1076758E-02 Ex_ueg -0.4860355E-03 Ec_ueg -0.1087636E-03 Delta_ex -0.5888827E-03 Delta_ec 0.1570703E-03 Delta_et -0.9538199E-03 Pxc 0.4468732E+01 Qxc -0.3749167E+01 3,+3 81 3 -1 -1.811730 -1.716182 -0.552636 Rho 0.5317369E-01 |GRAD(Rho)| 0.1045394E-15 GRAD(Rho)x -0.3987535E-16 GRAD(Rho)y -0.5512025E-16 GRAD(Rho)z 0.7937376E-16 Laplacian 0.2121958E+00 (-1/4)Del**2(Rho)) -0.5304896E-01 Diamond 0.1162881E+00 Metallicity 0.2441768E+01 Ellipticity 0.2044813E-01 Gb(Abramov) 0.5695484E-01 Vb(Abramov) -0.6086073E-01 Hb(Abramov) -0.3905887E-02 Ex_ueg -0.1476774E-01 Ec_ueg -0.2591040E-02 Delta_ex -0.1771328E-01 Delta_ec 0.6272423E-02 Delta_et -0.6719146E-01 Pxc 0.5699542E+01 Qxc -0.2823993E+01 3,-1 82 3 +1 -1.751458 1.749219 -1.707040 Rho 0.1138723E-01 |GRAD(Rho)| 0.1249173E-16 GRAD(Rho)x -0.8980920E-17 GRAD(Rho)y -0.8348141E-17 GRAD(Rho)z -0.2386388E-17 Laplacian 0.5537834E-01 (-1/4)Del**2(Rho)) -0.1384459E-01 Diamond 0.2080083E-02 Metallicity 0.7171938E+00 Ellipticity -0.1278743E+01 Gb(Abramov) 0.1088460E-01 Vb(Abramov) -0.7924612E-02 Hb(Abramov) 0.2959987E-02 Ex_ueg -0.1892093E-02 Ec_ueg -0.4313557E-03 Delta_ex -0.2689411E-02 Delta_ec 0.7270609E-03 Delta_et -0.5375617E-02 Pxc 0.4386386E+01 Qxc -0.3699018E+01 3,+1 83 3 -1 -1.800064 1.686080 0.546959 Rho 0.4368951E-01 |GRAD(Rho)| 0.4448138E-16 GRAD(Rho)x -0.1158402E-16 GRAD(Rho)y 0.3704287E-16 GRAD(Rho)z -0.2173084E-16 Laplacian 0.1811126E+00 (-1/4)Del**2(Rho)) -0.4527814E-01 Diamond 0.7801010E-01 Metallicity 0.2062021E+01 Ellipticity 0.1006940E-01 Gb(Abramov) 0.4574618E-01 Vb(Abramov) -0.4621421E-01 Hb(Abramov) -0.4680349E-03 Ex_ueg -0.1136461E-01 Ec_ueg -0.2069143E-02 Delta_ex -0.1449408E-01 Delta_ec 0.5547704E-02 Delta_et -0.5647980E-01 Pxc 0.5492424E+01 Qxc -0.2612626E+01 3,-1 84 3 -1 -1.863576 2.765754 -0.526556 Rho 0.1039483E+00 |GRAD(Rho)| 0.9469962E-16 GRAD(Rho)x 0.5330887E-16 GRAD(Rho)y -0.6914669E-16 GRAD(Rho)z 0.3667314E-16 Laplacian 0.4249216E+00 (-1/4)Del**2(Rho)) -0.1062304E+00 Diamond 0.5521727E+00 Metallicity 0.3726777E+01 Ellipticity 0.7032826E-02 Gb(Abramov) 0.1368031E+00 Vb(Abramov) -0.1673758E+00 Hb(Abramov) -0.3057270E-01 Ex_ueg -0.3609732E-01 Ec_ueg -0.5564841E-02 Delta_ex -0.4176019E-01 Delta_ec 0.1170185E-01 Delta_et -0.1464092E+00 Pxc 0.6486676E+01 Qxc -0.3568684E+01 3,-1 85 3 -1 -2.038623 2.953080 0.860269 Rho 0.1046067E+00 |GRAD(Rho)| 0.8324516E-13 GRAD(Rho)x 0.4832834E-13 GRAD(Rho)y 0.3671838E-13 GRAD(Rho)z 0.5697271E-13 Laplacian 0.4092264E+00 (-1/4)Del**2(Rho)) -0.1023066E+00 Diamond 0.5334422E+00 Metallicity 0.3910650E+01 Ellipticity 0.1785511E-01 Gb(Abramov) 0.1348853E+00 Vb(Abramov) -0.1674640E+00 Hb(Abramov) -0.3257868E-01 Ex_ueg -0.3640250E-01 Ec_ueg -0.5604947E-02 Delta_ex -0.4023865E-01 Delta_ec 0.1118475E-01 Delta_et -0.1400185E+00 Pxc 0.6494710E+01 Qxc -0.3597636E+01 3,-1 86 3 -1 -0.849380 3.009647 1.987980 Rho 0.1509925E+00 |GRAD(Rho)| 0.2491718E-15 GRAD(Rho)x 0.1096399E-16 GRAD(Rho)y 0.1120455E-15 GRAD(Rho)z -0.2222886E-15 Laplacian 0.5875783E+00 (-1/4)Del**2(Rho)) -0.1468946E+00 Diamond 0.1188090E+01 Metallicity 0.5021187E+01 Ellipticity 0.6398630E-01 Gb(Abramov) 0.2208606E+00 Vb(Abramov) -0.2948266E+00 Hb(Abramov) -0.7396600E-01 Ex_ueg -0.5938256E-01 Ec_ueg -0.8507079E-02 Delta_ex -0.6308325E-01 Delta_ec 0.1467036E-01 Delta_et -0.1949730E+00 Pxc 0.6980370E+01 Qxc -0.4300047E+01 3,-1 87 3 +1 -1.403142 2.160169 1.096079 Rho 0.2654562E-01 |GRAD(Rho)| 0.1041425E-16 GRAD(Rho)x -0.1594831E-17 GRAD(Rho)y 0.6826731E-17 GRAD(Rho)z 0.7701223E-17 Laplacian 0.1056996E+00 (-1/4)Del**2(Rho)) -0.2642491E-01 Diamond 0.1522947E-01 Metallicity 0.1540025E+01 Ellipticity -0.3943798E+01 Gb(Abramov) 0.2439911E-01 Vb(Abramov) -0.2237331E-01 Hb(Abramov) 0.2025798E-02 Ex_ueg -0.5848470E-02 Ec_ueg -0.1166844E-02 Delta_ex -0.6701859E-02 Delta_ec 0.1832076E-02 Delta_et -0.1640271E-01 Pxc 0.5012211E+01 Qxc -0.3658068E+01 3,+1 88 3 +1 -1.692693 -0.536643 0.520891 Rho 0.9996462E-02 |GRAD(Rho)| 0.1046984E-16 GRAD(Rho)x -0.6186160E-17 GRAD(Rho)y 0.6553434E-17 GRAD(Rho)z 0.5329306E-17 Laplacian 0.3827775E-01 (-1/4)Del**2(Rho)) -0.9569439E-02 Diamond 0.1249807E-02 Metallicity 0.8351104E+00 Ellipticity -0.1529350E+01 Gb(Abramov) 0.7711549E-02 Vb(Abramov) -0.5853659E-02 Hb(Abramov) 0.1857890E-02 Ex_ueg -0.1590426E-02 Ec_ueg -0.3678871E-03 Delta_ex -0.1814094E-02 Delta_ec 0.5333703E-03 Delta_et -0.3792674E-02 Pxc 0.4323136E+01 Qxc -0.3401190E+01 3,+1 89 3 -1 -1.784792 -0.561193 2.831851 Rho 0.1591196E+00 |GRAD(Rho)| 0.4329386E-13 GRAD(Rho)x -0.2814632E-13 GRAD(Rho)y 0.3031348E-13 GRAD(Rho)z -0.1277637E-13 Laplacian 0.6720541E+00 (-1/4)Del**2(Rho)) -0.1680135E+00 Diamond 0.1452749E+01 Metallicity 0.4790878E+01 Ellipticity 0.2305567E-01 Gb(Abramov) 0.2461644E+00 Vb(Abramov) -0.3243153E+00 Hb(Abramov) -0.7815089E-01 Ex_ueg -0.6368200E-01 Ec_ueg -0.9029834E-02 Delta_ex -0.7314632E-01 Delta_ec 0.1664975E-01 Delta_et -0.2230198E+00 Pxc 0.7052400E+01 Qxc -0.4393239E+01 3,-1 90 3 -1 -1.782949 0.472945 -2.830584 Rho 0.1339521E+00 |GRAD(Rho)| 0.1812385E-15 GRAD(Rho)x 0.1799776E-16 GRAD(Rho)y -0.1488610E-15 GRAD(Rho)z -0.1018032E-15 Laplacian 0.5558214E+00 (-1/4)Del**2(Rho)) -0.1389554E+00 Diamond 0.9941336E+00 Metallicity 0.4347709E+01 Ellipticity 0.1506686E-01 Gb(Abramov) 0.1933265E+00 Vb(Abramov) -0.2476976E+00 Hb(Abramov) -0.5437111E-01 Ex_ueg -0.5061949E-01 Ec_ueg -0.7424274E-02 Delta_ex -0.5819124E-01 Delta_ec 0.1472377E-01 Delta_et -0.1931756E+00 Pxc 0.6818107E+01 Qxc -0.3952198E+01 3,-1 91 3 +3 -2.347381 -0.006016 -0.022905 Rho 0.5217824E-02 |GRAD(Rho)| 0.2169411E-15 GRAD(Rho)x 0.1602716E-15 GRAD(Rho)y 0.1064747E-15 GRAD(Rho)z 0.1001979E-15 Laplacian 0.2146809E-01 (-1/4)Del**2(Rho)) -0.5367023E-02 Diamond 0.2273661E-03 Metallicity 0.5038509E+00 Ellipticity -0.4808428E+00 Gb(Abramov) 0.4028712E-02 Vb(Abramov) -0.2690401E-02 Hb(Abramov) 0.1338311E-02 Ex_ueg -0.6684018E-03 Ec_ueg -0.1562987E-03 Delta_ex -0.8105786E-03 Delta_ec 0.2017383E-03 Delta_et -0.1300527E-02 Pxc 0.4276440E+01 Qxc -0.4017970E+01 3,+3 92 3 -1 -1.722003 0.522988 1.763009 Rho 0.5066357E-01 |GRAD(Rho)| 0.1758468E-14 GRAD(Rho)x 0.5964171E-15 GRAD(Rho)y 0.1300914E-14 GRAD(Rho)z 0.1021822E-14 Laplacian 0.2038437E+00 (-1/4)Del**2(Rho)) -0.5096093E-01 Diamond 0.1043486E+00 Metallicity 0.2344996E+01 Ellipticity 0.1459197E-01 Gb(Abramov) 0.5389115E-01 Vb(Abramov) -0.5682137E-01 Hb(Abramov) -0.2930218E-02 Ex_ueg -0.1384563E-01 Ec_ueg -0.2451586E-02 Delta_ex -0.1679853E-01 Delta_ec 0.6008555E-02 Delta_et -0.6355816E-01 Pxc 0.5647621E+01 Qxc -0.2795769E+01 3,-1 93 3 -1 -1.964921 0.872305 3.044495 Rho 0.1493854E+00 |GRAD(Rho)| 0.2621046E-15 GRAD(Rho)x -0.1905214E-15 GRAD(Rho)y -0.1622780E-15 GRAD(Rho)z -0.7788637E-16 Laplacian 0.5850180E+00 (-1/4)Del**2(Rho)) -0.1462545E+00 Diamond 0.1182343E+01 Metallicity 0.4954017E+01 Ellipticity 0.5005088E-01 Gb(Abramov) 0.2182609E+00 Vb(Abramov) -0.2902672E+00 Hb(Abramov) -0.7200637E-01 Ex_ueg -0.5854132E-01 Ec_ueg -0.8404182E-02 Delta_ex -0.6278846E-01 Delta_ec 0.1490553E-01 Delta_et -0.1984165E+00 Pxc 0.6965738E+01 Qxc -0.4212427E+01 3,-1 94 3 +1 -0.580985 0.514135 -1.644865 Rho 0.9617433E-02 |GRAD(Rho)| 0.1731251E-16 GRAD(Rho)x -0.7125837E-17 GRAD(Rho)y 0.1096039E-16 GRAD(Rho)z -0.1134969E-16 Laplacian 0.3726567E-01 (-1/4)Del**2(Rho)) -0.9316418E-02 Diamond 0.1194351E-02 Metallicity 0.8042718E+00 Ellipticity -0.1540371E+01 Gb(Abramov) 0.7459767E-02 Vb(Abramov) -0.5603117E-02 Hb(Abramov) 0.1856651E-02 Ex_ueg -0.1510534E-02 Ec_ueg -0.3507297E-03 Delta_ex -0.1764288E-02 Delta_ec 0.5470965E-03 Delta_et -0.3830267E-02 Pxc 0.4306833E+01 Qxc -0.3224819E+01 3,+1 95 3 +1 -1.779684 -1.702814 1.789439 Rho 0.1258669E-01 |GRAD(Rho)| 0.7746371E-17 GRAD(Rho)x -0.2116522E-17 GRAD(Rho)y 0.6384098E-17 GRAD(Rho)z 0.3843163E-17 Laplacian 0.6329837E-01 (-1/4)Del**2(Rho)) -0.1582459E-01 Diamond 0.2667130E-02 Metallicity 0.7414348E+00 Ellipticity -0.1250715E+01 Gb(Abramov) 0.1250521E-01 Vb(Abramov) -0.9185832E-02 Hb(Abramov) 0.3319380E-02 Ex_ueg -0.2162388E-02 Ec_ueg -0.4867198E-03 Delta_ex -0.3139800E-02 Delta_ec 0.8018112E-03 Delta_et -0.6097505E-02 Pxc 0.4442778E+01 Qxc -0.3915885E+01 3,+1 96 3 +1 -0.348255 -1.126570 -2.743925 Rho 0.3580486E-02 |GRAD(Rho)| 0.5744120E-14 GRAD(Rho)x 0.1053309E-14 GRAD(Rho)y 0.1164184E-14 GRAD(Rho)z 0.5525407E-14 Laplacian 0.1418407E-01 (-1/4)Del**2(Rho)) -0.3546017E-02 Diamond 0.1530733E-03 Metallicity 0.4071137E+00 Ellipticity -0.1364750E+01 Gb(Abramov) 0.2604617E-02 Vb(Abramov) -0.1663216E-02 Hb(Abramov) 0.9414003E-03 Ex_ueg -0.4045520E-03 Ec_ueg -0.8634631E-04 Delta_ex -0.5780013E-03 Delta_ec 0.2961322E-03 Delta_et -0.1516572E-02 Pxc 0.4685227E+01 Qxc -0.1951835E+01 3,+1 97 3 -1 -1.753092 -0.619159 -1.825971 Rho 0.5463824E-01 |GRAD(Rho)| 0.8648604E-15 GRAD(Rho)x 0.4581186E-15 GRAD(Rho)y -0.6742708E-15 GRAD(Rho)z -0.2889111E-15 Laplacian 0.2213294E+00 (-1/4)Del**2(Rho)) -0.5533235E-01 Diamond 0.1283139E+00 Metallicity 0.2449450E+01 Ellipticity 0.1653857E-01 Gb(Abramov) 0.5947720E-01 Vb(Abramov) -0.6362205E-01 Hb(Abramov) -0.4144851E-02 Ex_ueg -0.1531254E-01 Ec_ueg -0.2672818E-02 Delta_ex -0.1869747E-01 Delta_ec 0.6708946E-02 Delta_et -0.7243343E-01 Pxc 0.5728988E+01 Qxc -0.2786946E+01 3,-1 98 3 +3 -0.001215 -0.036261 2.294571 Rho 0.4727494E-02 |GRAD(Rho)| 0.5187967E-16 GRAD(Rho)x -0.1477737E-17 GRAD(Rho)y 0.5179672E-16 GRAD(Rho)z 0.2532945E-17 Laplacian 0.1932915E-01 (-1/4)Del**2(Rho)) -0.4832287E-02 Diamond 0.1680128E-03 Metallicity 0.4747359E+00 Ellipticity -0.2800115E+00 Gb(Abramov) 0.3603868E-02 Vb(Abramov) -0.2375449E-02 Hb(Abramov) 0.1228419E-02 Ex_ueg -0.5859938E-03 Ec_ueg -0.1352047E-03 Delta_ex -0.7005445E-03 Delta_ec 0.1619667E-03 Delta_et -0.1046570E-02 Pxc 0.4334124E+01 Qxc -0.4325239E+01 3,+3 99 3 +1 -1.079076 1.391951 2.184543 Rho 0.2682030E-01 |GRAD(Rho)| 0.1751978E-16 GRAD(Rho)x -0.1362184E-16 GRAD(Rho)y 0.4963449E-17 GRAD(Rho)z -0.9836278E-17 Laplacian 0.1061384E+00 (-1/4)Del**2(Rho)) -0.2653461E-01 Diamond 0.1446618E-01 Metallicity 0.1560199E+01 Ellipticity -0.2987637E+01 Gb(Abramov) 0.2458962E-01 Vb(Abramov) -0.2264463E-01 Hb(Abramov) 0.1944992E-02 Ex_ueg -0.5929299E-02 Ec_ueg -0.1180793E-02 Delta_ex -0.6644909E-02 Delta_ec 0.1655212E-02 Delta_et -0.1488906E-01 Pxc 0.5021453E+01 Qxc -0.4014535E+01 3,+1 100 3 +1 -0.185122 0.175657 2.914835 Rho 0.5613692E-02 |GRAD(Rho)| 0.1501053E-12 GRAD(Rho)x 0.1005114E-12 GRAD(Rho)y -0.1018803E-12 GRAD(Rho)z -0.4527111E-13 Laplacian 0.2322358E-01 (-1/4)Del**2(Rho)) -0.5805896E-02 Diamond 0.6091626E-03 Metallicity 0.5261363E+00 Ellipticity -0.2895437E+01 Gb(Abramov) 0.4379713E-02 Vb(Abramov) -0.2953530E-02 Hb(Abramov) 0.1426183E-02 Ex_ueg -0.7368570E-03 Ec_ueg -0.1734173E-03 Delta_ex -0.1162147E-02 Delta_ec 0.6976964E-03 Delta_et -0.3936353E-02 Pxc 0.4249039E+01 Qxc -0.1665692E+01 3,+1 101 3 -1 -0.844483 -3.478093 -1.274555 Rho 0.3180141E+00 |GRAD(Rho)| 0.3640397E-12 GRAD(Rho)x -0.3144080E-12 GRAD(Rho)y 0.1556086E-12 GRAD(Rho)z 0.9725446E-13 Laplacian -0.1653833E+01 (-1/4)Del**2(Rho)) 0.4134582E+00 Diamond 0.5674864E+01 Metallicity -0.6173511E+01 Ellipticity 0.2330581E-02 Gb(Abramov) 0.1497760E+00 Vb(Abramov) -0.7130102E+00 Hb(Abramov) -0.5632342E+00 Ex_ueg -0.1603173E+00 Ec_ueg -0.1999907E-01 Delta_ex 0.1645179E+00 Delta_ec 0.5729626E-01 Delta_et -0.1358076E+01 Pxc 0.8016235E+01 Qxc 0.2871355E+01 3,-1 102 3 +3 1.006495 -1.122913 -1.219767 Rho 0.4536997E-02 |GRAD(Rho)| 0.4039396E-14 GRAD(Rho)x 0.2305530E-14 GRAD(Rho)y 0.3070484E-14 GRAD(Rho)z -0.1254346E-14 Laplacian 0.1764513E-01 (-1/4)Del**2(Rho)) -0.4411283E-02 Diamond 0.1423304E-03 Metallicity 0.4855892E+00 Ellipticity -0.4781593E+00 Gb(Abramov) 0.3297868E-02 Vb(Abramov) -0.2184452E-02 Hb(Abramov) 0.1113416E-02 Ex_ueg -0.5547232E-03 Ec_ueg -0.1270426E-03 Delta_ex -0.6298696E-03 Delta_ec 0.1427467E-03 Delta_et -0.9214390E-03 Pxc 0.4366434E+01 Qxc -0.4412499E+01 3,+3 103 3 +1 0.499387 -0.747533 -1.746468 Rho 0.5931109E-02 |GRAD(Rho)| 0.3224218E-16 GRAD(Rho)x 0.7801706E-17 GRAD(Rho)y -0.2980285E-16 GRAD(Rho)z 0.9512210E-17 Laplacian 0.2317773E-01 (-1/4)Del**2(Rho)) -0.5794432E-02 Diamond 0.4992542E-03 Metallicity 0.5777883E+00 Ellipticity -0.1665795E+01 Gb(Abramov) 0.4420947E-02 Vb(Abramov) -0.3047463E-02 Hb(Abramov) 0.1373485E-02 Ex_ueg -0.7929265E-03 Ec_ueg -0.1871997E-03 Delta_ex -0.1057768E-02 Delta_ec 0.4911166E-03 Delta_et -0.2901609E-02 Pxc 0.4235726E+01 Qxc -0.2153802E+01 3,+1 104 3 -1 -2.828358 1.784451 -0.520675 Rho 0.1853707E+00 |GRAD(Rho)| 0.1499447E-13 GRAD(Rho)x 0.6958830E-14 GRAD(Rho)y -0.1312508E-13 GRAD(Rho)z -0.2034939E-14 Laplacian 0.7524247E+00 (-1/4)Del**2(Rho)) -0.1881062E+00 Diamond 0.1918148E+01 Metallicity 0.5519318E+01 Ellipticity 0.2845223E-01 Gb(Abramov) 0.2984404E+00 Vb(Abramov) -0.4087747E+00 Hb(Abramov) -0.1103342E+00 Ex_ueg -0.7806205E-01 Ec_ueg -0.1074503E-01 Delta_ex -0.8482027E-01 Delta_ec 0.1743522E-01 Delta_et -0.2360517E+00 Pxc 0.7264942E+01 Qxc -0.4864880E+01 3,-1 105 3 +3 -0.043167 2.289714 0.040613 Rho 0.4561324E-02 |GRAD(Rho)| 0.1832371E-17 GRAD(Rho)x -0.9524517E-18 GRAD(Rho)y 0.1354684E-17 GRAD(Rho)z -0.7843785E-18 Laplacian 0.1862866E-01 (-1/4)Del**2(Rho)) -0.4657165E-02 Diamond 0.1528507E-03 Metallicity 0.4640696E+00 Ellipticity -0.4073419E+00 Gb(Abramov) 0.3464985E-02 Vb(Abramov) -0.2272805E-02 Hb(Abramov) 0.1192180E-02 Ex_ueg -0.5586927E-03 Ec_ueg -0.1280839E-03 Delta_ex -0.6674676E-03 Delta_ec 0.1534968E-03 Delta_et -0.9876159E-03 Pxc 0.4361927E+01 Qxc -0.4348413E+01 3,+3 106 3 -1 1.733687 0.523726 -1.767601 Rho 0.3733194E-01 |GRAD(Rho)| 0.1370527E-16 GRAD(Rho)x 0.1223571E-16 GRAD(Rho)y -0.1806721E-17 GRAD(Rho)z -0.5904031E-17 Laplacian 0.1547621E+00 (-1/4)Del**2(Rho)) -0.3869053E-01 Diamond 0.5351943E-01 Metallicity 0.1856733E+01 Ellipticity 0.3402625E-01 Gb(Abramov) 0.3776669E-01 Vb(Abramov) -0.3684284E-01 Hb(Abramov) 0.9238493E-03 Ex_ueg -0.9214939E-02 Ec_ueg -0.1727640E-02 Delta_ex -0.1189461E-01 Delta_ec 0.4709745E-02 Delta_et -0.4594627E-01 Pxc 0.5333831E+01 Qxc -0.2525531E+01 3,-1 107 3 -1 -0.588768 1.791380 -2.717941 Rho 0.1363485E+00 |GRAD(Rho)| 0.1185123E-15 GRAD(Rho)x -0.8817274E-16 GRAD(Rho)y -0.3117081E-18 GRAD(Rho)z -0.7918742E-16 Laplacian 0.5845463E+00 (-1/4)Del**2(Rho)) -0.1461366E+00 Diamond 0.1037839E+01 Metallicity 0.4258058E+01 Ellipticity 0.1866666E-01 Gb(Abramov) 0.2011341E+00 Vb(Abramov) -0.2561315E+00 Hb(Abramov) -0.5499748E-01 Ex_ueg -0.5183052E-01 Ec_ueg -0.7575435E-02 Delta_ex -0.6111981E-01 Delta_ec 0.1480940E-01 Delta_et -0.1936474E+00 Pxc 0.6841920E+01 Qxc -0.4127097E+01 3,-1 108 3 -1 -0.846893 2.023634 2.995630 Rho 0.1214327E+00 |GRAD(Rho)| 0.1277121E-12 GRAD(Rho)x 0.9334911E-13 GRAD(Rho)y 0.7104654E-13 GRAD(Rho)z -0.5048482E-13 Laplacian 0.4727782E+00 (-1/4)Del**2(Rho)) -0.1181946E+00 Diamond 0.7381644E+00 Metallicity 0.4340255E+01 Ellipticity 0.3939657E-01 Gb(Abramov) 0.1642954E+00 Vb(Abramov) -0.2103963E+00 Hb(Abramov) -0.4610089E-01 Ex_ueg -0.4441190E-01 Ec_ueg -0.6640749E-02 Delta_ex -0.4817017E-01 Delta_ec 0.1250191E-01 Delta_et -0.1608174E+00 Pxc 0.6687785E+01 Qxc -0.3853023E+01 3,-1 109 3 -1 -0.238781 -1.306561 -3.386607 Rho 0.4515350E-02 |GRAD(Rho)| 0.2565320E-16 GRAD(Rho)x -0.2227045E-16 GRAD(Rho)y 0.1890407E-17 GRAD(Rho)z 0.1259126E-16 Laplacian 0.1729133E-01 (-1/4)Del**2(Rho)) -0.4322833E-02 Diamond 0.5387488E-03 Metallicity 0.4915907E+00 Ellipticity 0.1970622E+00 Gb(Abramov) 0.3236066E-02 Vb(Abramov) -0.2149299E-02 Hb(Abramov) 0.1086767E-02 Ex_ueg -0.5511971E-03 Ec_ueg -0.1261163E-03 Delta_ex -0.1042171E-02 Delta_ec 0.8999285E-03 Delta_et -0.4594705E-02 Pxc 0.4370546E+01 Qxc -0.1158059E+01 3,-1 110 3 -1 -0.563793 -1.821472 2.792702 Rho 0.1214275E+00 |GRAD(Rho)| 0.1680726E-09 GRAD(Rho)x -0.1066694E-09 GRAD(Rho)y 0.1229985E-09 GRAD(Rho)z 0.4172991E-10 Laplacian 0.5057120E+00 (-1/4)Del**2(Rho)) -0.1264280E+00 Diamond 0.7992039E+00 Metallicity 0.4057311E+01 Ellipticity 0.1488623E-01 Gb(Abramov) 0.1697783E+00 Vb(Abramov) -0.2131286E+00 Hb(Abramov) -0.4335028E-01 Ex_ueg -0.4440935E-01 Ec_ueg -0.6640424E-02 Delta_ex -0.5165272E-01 Delta_ec 0.1360064E-01 Delta_et -0.1753350E+00 Pxc 0.6687728E+01 Qxc -0.3797814E+01 3,-1 111 3 -1 0.501842 -1.769171 1.699103 Rho 0.4869558E-01 |GRAD(Rho)| 0.1231109E-12 GRAD(Rho)x 0.5013959E-13 GRAD(Rho)y 0.5113639E-14 GRAD(Rho)z 0.1123217E-12 Laplacian 0.1966837E+00 (-1/4)Del**2(Rho)) -0.4917092E-01 Diamond 0.9525453E-01 Metallicity 0.2275066E+01 Ellipticity 0.1785014E-01 Gb(Abramov) 0.5142513E-01 Vb(Abramov) -0.5367934E-01 Hb(Abramov) -0.2254208E-02 Ex_ueg -0.1313322E-01 Ec_ueg -0.2342898E-02 Delta_ex -0.1604069E-01 Delta_ec 0.5787388E-02 Delta_et -0.6058677E-01 Pxc 0.5605543E+01 Qxc -0.2771663E+01 3,-1 112 3 +1 0.020212 -2.941886 0.063410 Rho 0.4689218E-02 |GRAD(Rho)| 0.1670006E-16 GRAD(Rho)x 0.1655702E-16 GRAD(Rho)y 0.7697342E-18 GRAD(Rho)z -0.2040770E-17 Laplacian 0.1864760E-01 (-1/4)Del**2(Rho)) -0.4661901E-02 Diamond 0.3928724E-03 Metallicity 0.4854645E+00 Ellipticity -0.2855939E+01 Gb(Abramov) 0.3485132E-02 Vb(Abramov) -0.2308363E-02 Hb(Abramov) 0.1176769E-02 Ex_ueg -0.5796764E-03 Ec_ueg -0.1335632E-03 Delta_ex -0.9096612E-03 Delta_ec 0.5762598E-03 Delta_et -0.3074252E-02 Pxc 0.4340091E+01 Qxc -0.1578561E+01 3,+1 113 3 +1 0.397609 -1.748474 -0.687159 Rho 0.7443386E-02 |GRAD(Rho)| 0.2597066E-15 GRAD(Rho)x 0.2298490E-15 GRAD(Rho)y -0.1011773E-15 GRAD(Rho)z 0.6618236E-16 Laplacian 0.2870131E-01 (-1/4)Del**2(Rho)) -0.7175327E-02 Diamond 0.7885728E-03 Metallicity 0.6812854E+00 Ellipticity -0.1732812E+01 Gb(Abramov) 0.5598292E-02 Vb(Abramov) -0.4021257E-02 Hb(Abramov) 0.1577035E-02 Ex_ueg -0.1073361E-02 Ec_ueg -0.2535311E-03 Delta_ex -0.1350516E-02 Delta_ec 0.5575923E-03 Delta_et -0.3541615E-02 Pxc 0.4233647E+01 Qxc -0.2422048E+01 3,+1 114 3 -1 -0.596489 2.796145 -1.751753 Rho 0.1573651E+00 |GRAD(Rho)| 0.5726279E-15 GRAD(Rho)x 0.5442966E-15 GRAD(Rho)y 0.1348476E-16 GRAD(Rho)z -0.1773755E-15 Laplacian 0.6481435E+00 (-1/4)Del**2(Rho)) -0.1620359E+00 Diamond 0.1361458E+01 Metallicity 0.4876662E+01 Ellipticity 0.2982057E-01 Gb(Abramov) 0.2397229E+00 Vb(Abramov) -0.3174100E+00 Hb(Abramov) -0.7768708E-01 Ex_ueg -0.6274748E-01 Ec_ueg -0.8916641E-02 Delta_ex -0.7015328E-01 Delta_ec 0.1575102E-01 Delta_et -0.2098072E+00 Pxc 0.7037120E+01 Qxc -0.4453887E+01 3,-1 115 3 -1 0.049376 2.959034 -0.046232 Rho 0.5702329E-02 |GRAD(Rho)| 0.5649200E-17 GRAD(Rho)x -0.4893719E-17 GRAD(Rho)y 0.2653564E-18 GRAD(Rho)z -0.2809726E-17 Laplacian 0.2288047E-01 (-1/4)Del**2(Rho)) -0.5720117E-02 Diamond 0.7497480E-03 Metallicity 0.5481534E+00 Ellipticity 0.2160676E+01 Gb(Abramov) 0.4335995E-02 Vb(Abramov) -0.2951873E-02 Hb(Abramov) 0.1384122E-02 Ex_ueg -0.7524104E-03 Ec_ueg -0.1772610E-03 Delta_ex -0.1255170E-02 Delta_ec 0.8777224E-03 Delta_et -0.4895915E-02 Pxc 0.4244647E+01 Qxc -0.1430031E+01 3,-1 116 3 +1 -0.224080 2.975485 0.225775 Rho 0.5517570E-02 |GRAD(Rho)| 0.5773017E-17 GRAD(Rho)x 0.1768343E-17 GRAD(Rho)y -0.5018755E-18 GRAD(Rho)z 0.5472551E-17 Laplacian 0.2307629E-01 (-1/4)Del**2(Rho)) -0.5769071E-02 Diamond 0.5333221E-03 Metallicity 0.5144704E+00 Ellipticity -0.1883049E+01 Gb(Abramov) 0.4340717E-02 Vb(Abramov) -0.2912363E-02 Hb(Abramov) 0.1428354E-02 Ex_ueg -0.7200824E-03 Ec_ueg -0.1692535E-03 Delta_ex -0.1103523E-02 Delta_ec 0.6088462E-03 Delta_et -0.3452767E-02 Pxc 0.4254461E+01 Qxc -0.1812483E+01 3,+1 117 3 -1 -0.551050 1.740683 1.724177 Rho 0.4182937E-01 |GRAD(Rho)| 0.8683934E-16 GRAD(Rho)x -0.4014481E-16 GRAD(Rho)y -0.2921671E-16 GRAD(Rho)z -0.7124500E-16 Laplacian 0.1747469E+00 (-1/4)Del**2(Rho)) -0.4368672E-01 Diamond 0.7093737E-01 Metallicity 0.1987647E+01 Ellipticity 0.2746844E-01 Gb(Abramov) 0.4359678E-01 Vb(Abramov) -0.4350684E-01 Hb(Abramov) 0.8994401E-04 Ex_ueg -0.1072408E-01 Ec_ueg -0.1968477E-02 Delta_ex -0.1383436E-01 Delta_ec 0.5353375E-02 Delta_et -0.5386710E-01 Pxc 0.5447910E+01 Qxc -0.2584231E+01 3,-1 118 3 -1 0.482099 1.711204 -1.688594 Rho 0.4744363E-01 |GRAD(Rho)| 0.4452175E-13 GRAD(Rho)x -0.1580751E-13 GRAD(Rho)y 0.3116039E-13 GRAD(Rho)z -0.2759237E-13 Laplacian 0.1947347E+00 (-1/4)Del**2(Rho)) -0.4868366E-01 Diamond 0.9380264E-01 Metallicity 0.2200222E+01 Ellipticity 0.1627831E-01 Gb(Abramov) 0.5030825E-01 Vb(Abramov) -0.5193284E-01 Hb(Abramov) -0.1624587E-02 Ex_ueg -0.1268496E-01 Ec_ueg -0.2274062E-02 Delta_ex -0.1590616E-01 Delta_ec 0.5960057E-02 Delta_et -0.6202624E-01 Pxc 0.5578104E+01 Qxc -0.2668793E+01 3,-1 119 3 +1 0.130185 -0.150344 2.932522 Rho 0.5613577E-02 |GRAD(Rho)| 0.6529358E-17 GRAD(Rho)x 0.1441466E-18 GRAD(Rho)y -0.6486811E-17 GRAD(Rho)z -0.7300846E-18 Laplacian 0.2305569E-01 (-1/4)Del**2(Rho)) -0.5763923E-02 Diamond 0.6069424E-03 Metallicity 0.5299495E+00 Ellipticity -0.2932076E+01 Gb(Abramov) 0.4351713E-02 Vb(Abramov) -0.2939504E-02 Hb(Abramov) 0.1412209E-02 Ex_ueg -0.7368368E-03 Ec_ueg -0.1734123E-03 Delta_ex -0.1155492E-02 Delta_ec 0.6957787E-03 Delta_et -0.3924204E-02 Pxc 0.4249045E+01 Qxc -0.1660717E+01 3,+1 120 3 -1 -0.568323 -0.510005 -0.522675 Rho 0.1874456E+00 |GRAD(Rho)| 0.1253451E-12 GRAD(Rho)x 0.7621681E-13 GRAD(Rho)y 0.6753625E-13 GRAD(Rho)z 0.7308390E-13 Laplacian 0.5039293E+00 (-1/4)Del**2(Rho)) -0.1259823E+00 Diamond 0.1344898E+01 Metallicity 0.8395288E+01 Ellipticity 0.2503651E-01 Gb(Abramov) 0.2602645E+00 Vb(Abramov) -0.3945467E+00 Hb(Abramov) -0.1342822E+00 Ex_ueg -0.7922921E-01 Ec_ueg -0.1088230E-01 Delta_ex -0.5728650E-01 Delta_ec 0.1220929E-01 Delta_et -0.1673136E+00 Pxc 0.7280561E+01 Qxc -0.4692040E+01 3,-1 121 3 -1 -0.027318 0.011569 2.923647 Rho 0.5646795E-02 |GRAD(Rho)| 0.1076383E-15 GRAD(Rho)x 0.8406242E-17 GRAD(Rho)y 0.1060539E-15 GRAD(Rho)z -0.1636795E-16 Laplacian 0.2267969E-01 (-1/4)Del**2(Rho)) -0.5669923E-02 Diamond 0.7110421E-03 Metallicity 0.5440590E+00 Ellipticity 0.3266099E+01 Gb(Abramov) 0.4294077E-02 Vb(Abramov) -0.2918232E-02 Hb(Abramov) 0.1375846E-02 Ex_ueg -0.7426561E-03 Ec_ueg -0.1748523E-03 Delta_ex -0.1224232E-02 Delta_ec 0.8384183E-03 Delta_et -0.4673056E-02 Pxc 0.4247333E+01 Qxc -0.1460168E+01 3,-1 122 3 -1 -0.532701 0.432987 0.450984 Rho 0.1807102E+00 |GRAD(Rho)| 0.8337439E-13 GRAD(Rho)x 0.5005371E-13 GRAD(Rho)y -0.4773265E-13 GRAD(Rho)z -0.4655651E-13 Laplacian 0.4816125E+00 (-1/4)Del**2(Rho)) -0.1204031E+00 Diamond 0.1242816E+01 Metallicity 0.8264563E+01 Ellipticity 0.2088381E-02 Gb(Abramov) 0.2461153E+00 Vb(Abramov) -0.3718274E+00 Hb(Abramov) -0.1257121E+00 Ex_ueg -0.7545626E-01 Ec_ueg -0.1043761E-01 Delta_ex -0.5434628E-01 Delta_ec 0.1195867E-01 Delta_et -0.1637807E+00 Pxc 0.7229265E+01 Qxc -0.4544511E+01 3,-1 123 3 -1 -0.070671 -3.238714 3.187672 Rho 0.2448469E+00 |GRAD(Rho)| 0.7862675E-15 GRAD(Rho)x -0.6965999E-16 GRAD(Rho)y -0.5747356E-15 GRAD(Rho)z 0.5320180E-15 Laplacian 0.8996064E+00 (-1/4)Del**2(Rho)) -0.2249016E+00 Diamond 0.3245101E+01 Metallicity 0.7340375E+01 Ellipticity 0.2018300E-02 Gb(Abramov) 0.4250781E+00 Vb(Abramov) -0.6252545E+00 Hb(Abramov) -0.2001765E+00 Ex_ueg -0.1131300E+00 Ec_ueg -0.1477481E-01 Delta_ex -0.1091876E+00 Delta_ec 0.1962498E-01 Delta_et -0.2714214E+00 Pxc 0.7656953E+01 Qxc -0.5563705E+01 3,-1 124 3 -1 -0.602644 -2.774377 1.827713 Rho 0.1539920E+00 |GRAD(Rho)| 0.5430230E-15 GRAD(Rho)x 0.2594225E-15 GRAD(Rho)y 0.3731688E-16 GRAD(Rho)z -0.4755853E-15 Laplacian 0.6502106E+00 (-1/4)Del**2(Rho)) -0.1625526E+00 Diamond 0.1353912E+01 Metallicity 0.4688739E+01 Ellipticity 0.2370382E-01 Gb(Abramov) 0.2353963E+00 Vb(Abramov) -0.3082399E+00 Hb(Abramov) -0.7284362E-01 Ex_ueg -0.6096061E-01 Ec_ueg -0.8699548E-02 Delta_ex -0.7022215E-01 Delta_ec 0.1628713E-01 Delta_et -0.2173489E+00 Pxc 0.7007331E+01 Qxc -0.4311511E+01 3,-1 125 3 +1 0.478617 1.674595 0.533397 Rho 0.7969928E-02 |GRAD(Rho)| 0.1020543E-16 GRAD(Rho)x 0.3005742E-17 GRAD(Rho)y -0.4834374E-18 GRAD(Rho)z -0.9740774E-17 Laplacian 0.3116371E-01 (-1/4)Del**2(Rho)) -0.7790927E-02 Diamond 0.7531456E-03 Metallicity 0.7031609E+00 Ellipticity -0.1415279E+01 Gb(Abramov) 0.6106997E-02 Vb(Abramov) -0.4423067E-02 Hb(Abramov) 0.1683930E-02 Ex_ueg -0.1175775E-02 Ec_ueg -0.2768777E-03 Delta_ex -0.1397248E-02 Delta_ec 0.4396555E-03 Delta_et -0.2945724E-02 Pxc 0.4246550E+01 Qxc -0.3178052E+01 3,+1 126 3 +1 0.494878 0.480428 1.648423 Rho 0.8450225E-02 |GRAD(Rho)| 0.6343063E-17 GRAD(Rho)x -0.2835540E-17 GRAD(Rho)y -0.1371619E-17 GRAD(Rho)z -0.5505708E-17 Laplacian 0.3330509E-01 (-1/4)Del**2(Rho)) -0.8326272E-02 Diamond 0.8710420E-03 Metallicity 0.7253534E+00 Ellipticity -0.1428452E+01 Gb(Abramov) 0.6557430E-02 Vb(Abramov) -0.4788587E-02 Hb(Abramov) 0.1768842E-02 Ex_ueg -0.1271187E-02 Ec_ueg -0.2982838E-03 Delta_ex -0.1515147E-02 Delta_ec 0.4693488E-03 Delta_et -0.3192946E-02 Pxc 0.4261670E+01 Qxc -0.3228190E+01 3,+1 127 3 -1 0.103150 -2.001476 -1.059805 Rho 0.8287568E-02 |GRAD(Rho)| 0.2050152E-16 GRAD(Rho)x 0.1210419E-16 GRAD(Rho)y -0.1652080E-16 GRAD(Rho)z 0.9294580E-18 Laplacian 0.3209280E-01 (-1/4)Del**2(Rho)) -0.8023199E-02 Diamond 0.1697970E-02 Metallicity 0.7287594E+00 Ellipticity 0.4711867E+00 Gb(Abramov) 0.6323296E-02 Vb(Abramov) -0.4623393E-02 Hb(Abramov) 0.1699903E-02 Ex_ueg -0.1238667E-02 Ec_ueg -0.2910228E-03 Delta_ex -0.1869685E-02 Delta_ec 0.1196486E-02 Delta_et -0.7488497E-02 Pxc 0.4256254E+01 Qxc -0.1562646E+01 3,-1 128 3 +1 0.318237 -1.582883 -1.661226 Rho 0.6222961E-02 |GRAD(Rho)| 0.2085272E-15 GRAD(Rho)x 0.5921310E-16 GRAD(Rho)y -0.1371261E-15 GRAD(Rho)z -0.1455122E-15 Laplacian 0.2501047E-01 (-1/4)Del**2(Rho)) -0.6252618E-02 Diamond 0.6553006E-03 Metallicity 0.5800779E+00 Ellipticity -0.2025822E+01 Gb(Abramov) 0.4772913E-02 Vb(Abramov) -0.3293208E-02 Hb(Abramov) 0.1479705E-02 Ex_ueg -0.8453719E-03 Ec_ueg -0.1999156E-03 Delta_ex -0.1209539E-02 Delta_ec 0.6295863E-03 Delta_et -0.3712784E-02 Pxc 0.4228645E+01 Qxc -0.1921165E+01 3,+1 129 3 +1 1.651395 0.487421 0.541350 Rho 0.7838882E-02 |GRAD(Rho)| 0.9015994E-17 GRAD(Rho)x 0.7585117E-17 GRAD(Rho)y 0.4855350E-17 GRAD(Rho)z 0.4239350E-18 Laplacian 0.3082590E-01 (-1/4)Del**2(Rho)) -0.7706474E-02 Diamond 0.7247336E-03 Metallicity 0.6914927E+00 Ellipticity -0.1397215E+01 Gb(Abramov) 0.6025811E-02 Vb(Abramov) -0.4345148E-02 Hb(Abramov) 0.1680663E-02 Ex_ueg -0.1150069E-02 Ec_ueg -0.2710553E-03 Delta_ex -0.1374513E-02 Delta_ec 0.4315911E-03 Delta_et -0.2882060E-02 Pxc 0.4242931E+01 Qxc -0.3184758E+01 3,+1 130 3 -1 -0.101170 3.171618 -3.135355 Rho 0.2333135E+00 |GRAD(Rho)| 0.2561574E-15 GRAD(Rho)x 0.1286812E-15 GRAD(Rho)y -0.1214306E-15 GRAD(Rho)z 0.1852359E-15 Laplacian 0.8478722E+00 (-1/4)Del**2(Rho)) -0.2119680E+00 Diamond 0.2903669E+01 Metallicity 0.7186476E+01 Ellipticity 0.1398069E-02 Gb(Abramov) 0.3951959E+00 Vb(Abramov) -0.5784238E+00 Hb(Abramov) -0.1832279E+00 Ex_ueg -0.1060812E+00 Ec_ueg -0.1397812E-01 Delta_ex -0.1017172E+00 Delta_ec 0.1893849E-01 Delta_et -0.2622715E+00 Pxc 0.7589086E+01 Qxc -0.5370923E+01 3,-1 131 3 +1 0.185073 2.944849 -0.182410 Rho 0.5674017E-02 |GRAD(Rho)| 0.8606774E-18 GRAD(Rho)x 0.5309409E-18 GRAD(Rho)y -0.6422513E-18 GRAD(Rho)z 0.2153614E-18 Laplacian 0.2354025E-01 (-1/4)Del**2(Rho)) -0.5885063E-02 Diamond 0.6314061E-03 Metallicity 0.5283882E+00 Ellipticity -0.2896517E+01 Gb(Abramov) 0.4441641E-02 Vb(Abramov) -0.2998220E-02 Hb(Abramov) 0.1443421E-02 Ex_ueg -0.7474335E-03 Ec_ueg -0.1760328E-03 Delta_ex -0.1184425E-02 Delta_ec 0.7141999E-03 Delta_et -0.4039408E-02 Pxc 0.4245989E+01 Qxc -0.1658394E+01 3,+1 132 3 -1 0.076819 3.228636 3.169627 Rho 0.2335414E+00 |GRAD(Rho)| 0.1770820E-14 GRAD(Rho)x 0.1308917E-14 GRAD(Rho)y 0.1126974E-14 GRAD(Rho)z -0.3904754E-15 Laplacian 0.8400155E+00 (-1/4)Del**2(Rho)) -0.2100039E+00 Diamond 0.2886415E+01 Metallicity 0.7265503E+01 Ellipticity 0.4924358E-02 Gb(Abramov) 0.3942999E+00 Vb(Abramov) -0.5785959E+00 Hb(Abramov) -0.1842960E+00 Ex_ueg -0.1062193E+00 Ec_ueg -0.1399379E-01 Delta_ex -0.1008348E+00 Delta_ec 0.1881945E-01 Delta_et -0.2608966E+00 Pxc 0.7590461E+01 Qxc -0.5358013E+01 3,-1 133 3 -1 0.395253 -0.516151 0.427979 Rho 0.1799257E+00 |GRAD(Rho)| 0.7533987E-13 GRAD(Rho)x -0.3963149E-13 GRAD(Rho)y 0.4066886E-13 GRAD(Rho)z -0.4951248E-13 Laplacian 0.4771906E+00 (-1/4)Del**2(Rho)) -0.1192977E+00 Diamond 0.1230168E+01 Metallicity 0.8280880E+01 Ellipticity 0.2773616E-02 Gb(Abramov) 0.2441800E+00 Vb(Abramov) -0.3690624E+00 Hb(Abramov) -0.1248824E+00 Ex_ueg -0.7501980E-01 Ec_ueg -0.1038598E-01 Delta_ex -0.5382915E-01 Delta_ec 0.1193458E-01 Delta_et -0.1635809E+00 Pxc 0.7223178E+01 Qxc -0.4510351E+01 3,-1 134 3 -1 0.409282 0.430388 -0.493073 Rho 0.1835222E+00 |GRAD(Rho)| 0.3139121E-12 GRAD(Rho)x -0.1888455E-12 GRAD(Rho)y -0.1836899E-12 GRAD(Rho)z 0.1706933E-12 Laplacian 0.4921578E+00 (-1/4)Del**2(Rho)) -0.1230394E+00 Diamond 0.1296783E+01 Metallicity 0.8298316E+01 Ellipticity 0.3395940E-02 Gb(Abramov) 0.2521963E+00 Vb(Abramov) -0.3813532E+00 Hb(Abramov) -0.1291569E+00 Ex_ueg -0.7702587E-01 Ec_ueg -0.1062295E-01 Delta_ex -0.5577445E-01 Delta_ec 0.1221189E-01 Delta_et -0.1676560E+00 Pxc 0.7250891E+01 Qxc -0.4567226E+01 3,-1 135 3 +3 1.073578 1.089685 1.068885 Rho 0.4744155E-02 |GRAD(Rho)| 0.6766208E-17 GRAD(Rho)x -0.8172214E-18 GRAD(Rho)y 0.3691101E-17 GRAD(Rho)z -0.5611550E-17 Laplacian 0.1862426E-01 (-1/4)Del**2(Rho)) -0.4656066E-02 Diamond 0.1272762E-03 Metallicity 0.4956009E+00 Ellipticity -0.2277994E+00 Gb(Abramov) 0.3488636E-02 Vb(Abramov) -0.2321206E-02 Hb(Abramov) 0.1167430E-02 Ex_ueg -0.5887490E-03 Ec_ueg -0.1359194E-03 Delta_ex -0.6403728E-03 Delta_ec 0.9313970E-04 Delta_et -0.6984439E-03 Pxc 0.4331604E+01 Qxc -0.6875401E+01 3,+3 136 3 +1 1.928034 -1.981259 1.984523 Rho 0.1244637E-01 |GRAD(Rho)| 0.5624206E-17 GRAD(Rho)x 0.5055523E-17 GRAD(Rho)y -0.2083226E-17 GRAD(Rho)z 0.1316644E-17 Laplacian 0.5812247E-01 (-1/4)Del**2(Rho)) -0.1453062E-01 Diamond 0.1758395E-02 Metallicity 0.7925137E+00 Ellipticity -0.1016677E+01 Gb(Abramov) 0.1160636E-01 Vb(Abramov) -0.8682110E-02 Hb(Abramov) 0.2924253E-02 Ex_ueg -0.2130305E-02 Ec_ueg -0.4802139E-03 Delta_ex -0.2694689E-02 Delta_ec 0.4152321E-03 Delta_et -0.3396921E-02 Pxc 0.4436159E+01 Qxc -0.6489597E+01 3,+1 137 3 -1 0.850789 -3.018189 1.994130 Rho 0.1617346E+00 |GRAD(Rho)| 0.2165333E-15 GRAD(Rho)x 0.1356879E-15 GRAD(Rho)y -0.9233337E-16 GRAD(Rho)z -0.1412444E-15 Laplacian 0.6352516E+00 (-1/4)Del**2(Rho)) -0.1588129E+00 Diamond 0.1405018E+01 Metallicity 0.5208015E+01 Ellipticity 0.6473995E-01 Gb(Abramov) 0.2437253E+00 Vb(Abramov) -0.3286376E+00 Hb(Abramov) -0.8491236E-01 Ex_ueg -0.6508120E-01 Ec_ueg -0.9198880E-02 Delta_ex -0.6946344E-01 Delta_ec 0.1574805E-01 Delta_et -0.2115663E+00 Pxc 0.7074906E+01 Qxc -0.4410924E+01 3,-1 138 3 -1 0.539682 1.829569 2.739454 Rho 0.1300494E+00 |GRAD(Rho)| 0.3765632E-13 GRAD(Rho)x 0.3618101E-13 GRAD(Rho)y 0.6000652E-15 GRAD(Rho)z -0.1041985E-13 Laplacian 0.5451637E+00 (-1/4)Del**2(Rho)) -0.1362909E+00 Diamond 0.9166317E+00 Metallicity 0.4219559E+01 Ellipticity 0.1268397E-01 Gb(Abramov) 0.1867085E+00 Vb(Abramov) -0.2371262E+00 Hb(Abramov) -0.5041762E-01 Ex_ueg -0.4866272E-01 Ec_ueg -0.7178903E-02 Delta_ex -0.5637646E-01 Delta_ec 0.1401842E-01 Delta_et -0.1820717E+00 Pxc 0.6778573E+01 Qxc -0.4021599E+01 3,-1 139 3 -1 0.823246 1.966049 -2.946631 Rho 0.9726249E-01 |GRAD(Rho)| 0.7374851E-15 GRAD(Rho)x 0.6891901E-15 GRAD(Rho)y 0.5646322E-16 GRAD(Rho)z -0.2563461E-15 Laplacian 0.3749334E+00 (-1/4)Del**2(Rho)) -0.9373336E-01 Diamond 0.4473835E+00 Metallicity 0.3780663E+01 Ellipticity 0.2704991E-01 Gb(Abramov) 0.1215513E+00 Vb(Abramov) -0.1493692E+00 Hb(Abramov) -0.2781792E-01 Ex_ueg -0.3303535E-01 Ec_ueg -0.5159524E-02 Delta_ex -0.3623994E-01 Delta_ec 0.1040579E-01 Delta_et -0.1284127E+00 Pxc 0.6402790E+01 Qxc -0.3482672E+01 3,-1 140 3 +1 1.222881 2.136694 -1.218000 Rho 0.2824137E-01 |GRAD(Rho)| 0.2809313E-16 GRAD(Rho)x -0.2716333E-16 GRAD(Rho)y -0.6254930E-17 GRAD(Rho)z -0.3500463E-17 Laplacian 0.1163580E+00 (-1/4)Del**2(Rho)) -0.2908949E-01 Diamond 0.2014060E-01 Metallicity 0.1551053E+01 Ellipticity -0.1316181E+02 Gb(Abramov) 0.2691289E-01 Vb(Abramov) -0.2473628E-01 Hb(Abramov) 0.2176605E-02 Ex_ueg -0.6351839E-02 Ec_ueg -0.1253257E-02 Delta_ex -0.7674851E-02 Delta_ec 0.2327195E-02 Delta_et -0.2110861E-01 Pxc 0.5068265E+01 Qxc -0.3297897E+01 3,+1 141 3 -1 0.561743 2.805738 1.782143 Rho 0.1301404E+00 |GRAD(Rho)| 0.3059031E-15 GRAD(Rho)x -0.2721347E-15 GRAD(Rho)y -0.7017837E-16 GRAD(Rho)z 0.1208072E-15 Laplacian 0.5424473E+00 (-1/4)Del**2(Rho)) -0.1356118E+00 Diamond 0.9170119E+00 Metallicity 0.4245631E+01 Ellipticity 0.1355000E-01 Gb(Abramov) 0.1863675E+00 Vb(Abramov) -0.2371232E+00 Hb(Abramov) -0.5075569E-01 Ex_ueg -0.4870809E-01 Ec_ueg -0.7184608E-02 Delta_ex -0.5615539E-01 Delta_ec 0.1403608E-01 Delta_et -0.1824926E+00 Pxc 0.6779505E+01 Qxc -0.4000788E+01 3,-1 142 3 -1 1.817794 2.767188 0.554439 Rho 0.1420448E+00 |GRAD(Rho)| 0.2878611E-12 GRAD(Rho)x 0.1860113E-12 GRAD(Rho)y -0.2138594E-12 GRAD(Rho)z 0.5027882E-13 Laplacian 0.5968430E+00 (-1/4)Del**2(Rho)) -0.1492108E+00 Diamond 0.1132441E+01 Metallicity 0.4464731E+01 Ellipticity 0.1060433E-01 Gb(Abramov) 0.2105048E+00 Vb(Abramov) -0.2717989E+00 Hb(Abramov) -0.6129405E-01 Ex_ueg -0.5473757E-01 Ec_ueg -0.7936227E-02 Delta_ex -0.6324095E-01 Delta_ec 0.1533983E-01 Delta_et -0.2025929E+00 Pxc 0.6897177E+01 Qxc -0.4122661E+01 3,-1 143 3 -1 0.814194 -1.999400 3.001710 Rho 0.1379170E+00 |GRAD(Rho)| 0.2375178E-15 GRAD(Rho)x 0.3263449E-16 GRAD(Rho)y -0.1682140E-15 GRAD(Rho)z 0.1644802E-15 Laplacian 0.5435313E+00 (-1/4)Del**2(Rho)) -0.1358828E+00 Diamond 0.9989503E+00 Metallicity 0.4667505E+01 Ellipticity 0.3258321E-01 Gb(Abramov) 0.1962942E+00 Vb(Abramov) -0.2567055E+00 Hb(Abramov) -0.6041135E-01 Ex_ueg -0.5262701E-01 Ec_ueg -0.7674572E-02 Delta_ex -0.5721952E-01 Delta_ec 0.1414114E-01 Delta_et -0.1860786E+00 Pxc 0.6857322E+01 Qxc -0.4046316E+01 3,-1 144 3 +1 1.229495 -1.185141 2.164422 Rho 0.2695978E-01 |GRAD(Rho)| 0.6622445E-16 GRAD(Rho)x 0.1470905E-17 GRAD(Rho)y 0.7184977E-17 GRAD(Rho)z -0.6581710E-16 Laplacian 0.1063550E+00 (-1/4)Del**2(Rho)) -0.2658876E-01 Diamond 0.1585239E-01 Metallicity 0.1570540E+01 Ellipticity -0.4810347E+01 Gb(Abramov) 0.2468563E-01 Vb(Abramov) -0.2278249E-01 Hb(Abramov) 0.1903133E-02 Ex_ueg -0.5970448E-02 Ec_ueg -0.1187884E-02 Delta_ex -0.6790869E-02 Delta_ec 0.1878217E-02 Delta_et -0.1687338E-01 Pxc 0.5026122E+01 Qxc -0.3615593E+01 3,+1 145 3 -1 0.836173 2.957179 -1.961693 Rho 0.1314169E+00 |GRAD(Rho)| 0.6026683E-14 GRAD(Rho)x -0.4904727E-14 GRAD(Rho)y -0.1364956E-14 GRAD(Rho)z -0.3225129E-14 Laplacian 0.5146733E+00 (-1/4)Del**2(Rho)) -0.1286683E+00 Diamond 0.8827026E+00 Metallicity 0.4548138E+01 Ellipticity 0.5648157E-01 Gb(Abramov) 0.1833124E+00 Vb(Abramov) -0.2379565E+00 Hb(Abramov) -0.5464411E-01 Ex_ueg -0.4934617E-01 Ec_ueg -0.7264766E-02 Delta_ex -0.5343446E-01 Delta_ec 0.1333660E-01 Delta_et -0.1737631E+00 Pxc 0.6792534E+01 Qxc -0.4006603E+01 3,-1 146 3 +1 2.006895 1.948264 -2.006532 Rho 0.1190718E-01 |GRAD(Rho)| 0.2142565E-16 GRAD(Rho)x -0.1917958E-16 GRAD(Rho)y -0.7502390E-17 GRAD(Rho)z 0.5908990E-17 Laplacian 0.5599343E-01 (-1/4)Del**2(Rho)) -0.1399836E-01 Diamond 0.1696232E-02 Metallicity 0.7641125E+00 Ellipticity -0.1074499E+01 Gb(Abramov) 0.1111496E-01 Vb(Abramov) -0.8231559E-02 Hb(Abramov) 0.2883399E-02 Ex_ueg -0.2008153E-02 Ec_ueg -0.4552856E-03 Delta_ex -0.2593791E-02 Delta_ec 0.4537995E-03 Delta_et -0.3606934E-02 Pxc 0.4410754E+01 Qxc -0.5715720E+01 3,+1 147 3 -1 1.798374 -2.829859 -0.618158 Rho 0.2029583E+00 |GRAD(Rho)| 0.2540088E-15 GRAD(Rho)x -0.7350891E-16 GRAD(Rho)y 0.1897354E-17 GRAD(Rho)z -0.2431323E-15 Laplacian 0.7859269E+00 (-1/4)Del**2(Rho)) -0.1964817E+00 Diamond 0.2259836E+01 Metallicity 0.6145762E+01 Ellipticity 0.6904494E-02 Gb(Abramov) 0.3322428E+00 Vb(Abramov) -0.4680039E+00 Hb(Abramov) -0.1357611E+00 Ex_ueg -0.8809019E-01 Ec_ueg -0.1191623E-01 Delta_ex -0.9084569E-01 Delta_ec 0.1806880E-01 Delta_et -0.2474559E+00 Pxc 0.7392453E+01 Qxc -0.5027765E+01 3,-1 148 3 -1 1.196805 -2.325641 -1.968146 Rho 0.5340455E-01 |GRAD(Rho)| 0.4104943E-14 GRAD(Rho)x -0.7999594E-15 GRAD(Rho)y -0.3573481E-14 GRAD(Rho)z 0.1854955E-14 Laplacian 0.1312548E+00 (-1/4)Del**2(Rho)) -0.3281370E-01 Diamond 0.1180854E+00 Metallicity 0.3976141E+01 Ellipticity 0.1149150E-01 Gb(Abramov) 0.4362111E-01 Vb(Abramov) -0.5442852E-01 Hb(Abramov) -0.1080741E-01 Ex_ueg -0.1485329E-01 Ec_ueg -0.2603911E-02 Delta_ex -0.1277390E-01 Delta_ec 0.7102798E-02 Delta_et -0.7728551E-01 Pxc 0.5704224E+01 Qxc -0.1798433E+01 3,-1 149 3 +1 1.348743 -2.201507 1.047467 Rho 0.2853938E-01 |GRAD(Rho)| 0.3636375E-16 GRAD(Rho)x 0.2453852E-17 GRAD(Rho)y 0.1617395E-16 GRAD(Rho)z -0.3247622E-16 Laplacian 0.1123966E+00 (-1/4)Del**2(Rho)) -0.2809915E-01 Diamond 0.1689349E-01 Metallicity 0.1634059E+01 Ellipticity -0.3445411E+01 Gb(Abramov) 0.2638537E-01 Vb(Abramov) -0.2467160E-01 Hb(Abramov) 0.1713773E-02 Ex_ueg -0.6441363E-02 Ec_ueg -0.1268516E-02 Delta_ex -0.7175128E-02 Delta_ec 0.1785767E-02 Delta_et -0.1629226E-01 Pxc 0.5077874E+01 Qxc -0.4017954E+01 3,+1 150 3 -1 1.719903 1.689163 -0.522117 Rho 0.4440039E-01 |GRAD(Rho)| 0.1357774E-15 GRAD(Rho)x -0.1270634E-15 GRAD(Rho)y -0.3348279E-16 GRAD(Rho)z -0.3419493E-16 Laplacian 0.1769455E+00 (-1/4)Del**2(Rho)) -0.4423639E-01 Diamond 0.7531540E-01 Metallicity 0.2168128E+01 Ellipticity 0.1272880E-01 Gb(Abramov) 0.4547595E-01 Vb(Abramov) -0.4671551E-01 Hb(Abramov) -0.1239563E-02 Ex_ueg -0.1161183E-01 Ec_ueg -0.2107770E-02 Delta_ex -0.1408662E-01 Delta_ec 0.5185952E-02 Delta_et -0.5298270E-01 Pxc 0.5509062E+01 Qxc -0.2716303E+01 3,-1 151 3 +1 1.732907 1.765546 1.733588 Rho 0.1227138E-01 |GRAD(Rho)| 0.1493951E-16 GRAD(Rho)x -0.7525465E-17 GRAD(Rho)y 0.1283682E-16 GRAD(Rho)z -0.1331311E-17 Laplacian 0.6162953E-01 (-1/4)Del**2(Rho)) -0.1540738E-01 Diamond 0.2529225E-02 Metallicity 0.7299837E+00 Ellipticity -0.1250571E+01 Gb(Abramov) 0.1214611E-01 Vb(Abramov) -0.8884840E-02 Hb(Abramov) 0.3261271E-02 Ex_ueg -0.2090465E-02 Ec_ueg -0.4721112E-03 Delta_ex -0.3042476E-02 Delta_ec 0.7913353E-03 Delta_et -0.5972746E-02 Pxc 0.4427907E+01 Qxc -0.3844737E+01 3,+1 152 3 +3 1.948845 1.891727 -1.950561 Rho 0.1189486E-01 |GRAD(Rho)| 0.1161682E-16 GRAD(Rho)x 0.4460046E-17 GRAD(Rho)y -0.1066945E-16 GRAD(Rho)z -0.1105088E-17 Laplacian 0.5554617E-01 (-1/4)Del**2(Rho)) -0.1388654E-01 Diamond 0.1433433E-02 Metallicity 0.7689378E+00 Ellipticity -0.9054855E+00 Gb(Abramov) 0.1103734E-01 Vb(Abramov) -0.8188143E-02 Hb(Abramov) 0.2849200E-02 Ex_ueg -0.2005384E-02 Ec_ueg -0.4547175E-03 Delta_ex -0.2500155E-02 Delta_ec 0.3213145E-03 Delta_et -0.2712712E-02 Pxc 0.4410175E+01 Qxc -0.7781021E+01 3,+3 153 3 +1 1.909471 -1.782172 -1.724355 Rho 0.1525244E-01 |GRAD(Rho)| 0.1407542E-16 GRAD(Rho)x 0.1315961E-16 GRAD(Rho)y -0.4900620E-17 GRAD(Rho)z -0.9622417E-18 Laplacian 0.7191264E-01 (-1/4)Del**2(Rho)) -0.1797816E-01 Diamond 0.4161917E-02 Metallicity 0.8988910E+00 Ellipticity -0.1457729E+01 Gb(Abramov) 0.1467884E-01 Vb(Abramov) -0.1137952E-01 Hb(Abramov) 0.3299319E-02 Ex_ueg -0.2793644E-02 Ec_ueg -0.6117206E-03 Delta_ex -0.3800543E-02 Delta_ec 0.9917931E-03 Delta_et -0.7842059E-02 Pxc 0.4566862E+01 Qxc -0.3831991E+01 3,+1 154 3 -1 1.677648 -1.755682 0.460542 Rho 0.4587660E-01 |GRAD(Rho)| 0.1379514E-12 GRAD(Rho)x 0.9061292E-13 GRAD(Rho)y -0.8969315E-13 GRAD(Rho)z -0.5267845E-13 Laplacian 0.1821632E+00 (-1/4)Del**2(Rho)) -0.4554080E-01 Diamond 0.8163699E-01 Metallicity 0.2224016E+01 Ellipticity 0.1155076E-01 Gb(Abramov) 0.4724111E-01 Vb(Abramov) -0.4894142E-01 Hb(Abramov) -0.1700309E-02 Ex_ueg -0.1212942E-01 Ec_ueg -0.2188248E-02 Delta_ex -0.1464921E-01 Delta_ec 0.5387175E-02 Delta_et -0.5552655E-01 Pxc 0.5542982E+01 Qxc -0.2719275E+01 3,-1 155 3 +3 1.917805 -1.971077 1.973115 Rho 0.1244628E-01 |GRAD(Rho)| 0.1786351E-16 GRAD(Rho)x -0.1317885E-16 GRAD(Rho)y 0.8400689E-17 GRAD(Rho)z -0.8651666E-17 Laplacian 0.5805795E-01 (-1/4)Del**2(Rho)) -0.1451449E-01 Diamond 0.1705943E-02 Metallicity 0.7933856E+00 Ellipticity -0.9825475E+00 Gb(Abramov) 0.1159559E-01 Vb(Abramov) -0.8676691E-02 Hb(Abramov) 0.2918898E-02 Ex_ueg -0.2130286E-02 Ec_ueg -0.4802100E-03 Delta_ex -0.2677797E-02 Delta_ec 0.3899623E-03 Delta_et -0.3224141E-02 Pxc 0.4436156E+01 Qxc -0.6866811E+01 3,+3 156 3 -1 3.016827 1.953611 -0.832041 Rho 0.1508477E+00 |GRAD(Rho)| 0.4638938E-15 GRAD(Rho)x 0.7508100E-16 GRAD(Rho)y -0.2175994E-15 GRAD(Rho)z -0.4027540E-15 Laplacian 0.5972353E+00 (-1/4)Del**2(Rho)) -0.1493088E+00 Diamond 0.1221713E+01 Metallicity 0.4932103E+01 Ellipticity 0.4397759E-01 Gb(Abramov) 0.2222736E+00 Vb(Abramov) -0.2952384E+00 Hb(Abramov) -0.7296481E-01 Ex_ueg -0.5930663E-01 Ec_ueg -0.8497800E-02 Delta_ex -0.6425798E-01 Delta_ec 0.1518843E-01 Delta_et -0.2024772E+00 Pxc 0.6979057E+01 Qxc -0.4230718E+01 3,-1 157 3 -1 1.772487 0.541673 2.762021 Rho 0.1355366E+00 |GRAD(Rho)| 0.1118062E-15 GRAD(Rho)x 0.1058181E-15 GRAD(Rho)y -0.3455894E-16 GRAD(Rho)z -0.1043206E-16 Laplacian 0.5688483E+00 (-1/4)Del**2(Rho)) -0.1422121E+00 Diamond 0.1017808E+01 Metallicity 0.4332222E+01 Ellipticity 0.1229791E-01 Gb(Abramov) 0.1974904E+00 Vb(Abramov) -0.2527688E+00 Hb(Abramov) -0.5527836E-01 Ex_ueg -0.5141940E-01 Ec_ueg -0.7524176E-02 Delta_ex -0.5956361E-01 Delta_ec 0.1473938E-01 Delta_et -0.1931837E+00 Pxc 0.6833890E+01 Qxc -0.4041121E+01 3,-1 158 3 -1 3.018554 0.837957 -2.005791 Rho 0.1213584E+00 |GRAD(Rho)| 0.8642090E-16 GRAD(Rho)x -0.8169802E-16 GRAD(Rho)y 0.2210417E-16 GRAD(Rho)z 0.1747598E-16 Laplacian 0.4826697E+00 (-1/4)Del**2(Rho)) -0.1206674E+00 Diamond 0.7533345E+00 Metallicity 0.4246973E+01 Ellipticity 0.2746830E-01 Gb(Abramov) 0.1658568E+00 Vb(Abramov) -0.2110462E+00 Hb(Abramov) -0.4518940E-01 Ex_ueg -0.4437566E-01 Ec_ueg -0.6636129E-02 Delta_ex -0.4917449E-01 Delta_ec 0.1277194E-01 Delta_et -0.1642849E+00 Pxc 0.6686980E+01 Qxc -0.3850198E+01 3,-1 159 3 -1 2.018746 0.830762 -3.025413 Rho 0.1576800E+00 |GRAD(Rho)| 0.1861263E-13 GRAD(Rho)x 0.1145412E-13 GRAD(Rho)y -0.1388057E-13 GRAD(Rho)z 0.4750052E-14 Laplacian 0.6136322E+00 (-1/4)Del**2(Rho)) -0.1534080E+00 Diamond 0.1308713E+01 Metallicity 0.5168121E+01 Ellipticity 0.7266101E-01 Gb(Abramov) 0.2344106E+00 Vb(Abramov) -0.3154131E+00 Hb(Abramov) -0.8100254E-01 Ex_ueg -0.6291494E-01 Ec_ueg -0.8936942E-02 Delta_ex -0.6660610E-01 Delta_ec 0.1518176E-01 Delta_et -0.2029823E+00 Pxc 0.7039874E+01 Qxc -0.4387246E+01 3,-1 160 3 -1 1.965245 -2.997373 0.817050 Rho 0.1126801E+00 |GRAD(Rho)| 0.2990732E-15 GRAD(Rho)x 0.1520458E-15 GRAD(Rho)y 0.8937892E-16 GRAD(Rho)z -0.2415331E-15 Laplacian 0.4384471E+00 (-1/4)Del**2(Rho)) -0.1096118E+00 Diamond 0.6350773E+00 Metallicity 0.4131503E+01 Ellipticity 0.1474578E-01 Gb(Abramov) 0.1485514E+00 Vb(Abramov) -0.1874911E+00 Hb(Abramov) -0.3893964E-01 Ex_ueg -0.4019587E-01 Ec_ueg -0.6099371E-02 Delta_ex -0.4402079E-01 Delta_ec 0.1204314E-01 Delta_et -0.1532583E+00 Pxc 0.6590166E+01 Qxc -0.3655259E+01 3,-1 161 3 -1 2.013698 2.944262 -0.854363 Rho 0.1367205E+00 |GRAD(Rho)| 0.1381964E-13 GRAD(Rho)x 0.1099599E-13 GRAD(Rho)y 0.5977173E-14 GRAD(Rho)z 0.5860384E-14 Laplacian 0.5354640E+00 (-1/4)Del**2(Rho)) -0.1338660E+00 Diamond 0.9760883E+00 Metallicity 0.4669521E+01 Ellipticity 0.3296308E-01 Gb(Abramov) 0.1934257E+00 Vb(Abramov) -0.2529853E+00 Hb(Abramov) -0.5955967E-01 Ex_ueg -0.5201915E-01 Ec_ueg -0.7598933E-02 Delta_ex -0.5627611E-01 Delta_ec 0.1400516E-01 Delta_et -0.1841301E+00 Pxc 0.6845586E+01 Qxc -0.4018240E+01 3,-1 162 3 +3 2.280800 -0.008723 0.020624 Rho 0.4455135E-02 |GRAD(Rho)| 0.2601385E-17 GRAD(Rho)x -0.1542718E-17 GRAD(Rho)y 0.2048926E-17 GRAD(Rho)z -0.4348838E-18 Laplacian 0.1816391E-01 (-1/4)Del**2(Rho)) -0.4540976E-02 Diamond 0.1427330E-03 Metallicity 0.4576204E+00 Ellipticity -0.2986111E+00 Gb(Abramov) 0.3373658E-02 Vb(Abramov) -0.2206340E-02 Hb(Abramov) 0.1167318E-02 Ex_ueg -0.5414182E-03 Ec_ueg -0.1235409E-03 Delta_ex -0.6451117E-03 Delta_ec 0.1465539E-03 Delta_et -0.9426731E-03 Pxc 0.4382501E+01 Qxc -0.4401872E+01 3,+3 163 3 -1 2.821668 -0.544165 -1.829947 Rho 0.1088144E+00 |GRAD(Rho)| 0.4593815E-15 GRAD(Rho)x 0.1629132E-15 GRAD(Rho)y -0.2732732E-15 GRAD(Rho)z 0.3313796E-15 Laplacian 0.4396399E+00 (-1/4)Del**2(Rho)) -0.1099100E+00 Diamond 0.5993806E+00 Metallicity 0.3887409E+01 Ellipticity 0.1594545E-01 Gb(Abramov) 0.1444842E+00 Vb(Abramov) -0.1790583E+00 Hb(Abramov) -0.3457419E-01 Ex_ueg -0.3836782E-01 Ec_ueg -0.5862024E-02 Delta_ex -0.4360802E-01 Delta_ec 0.1186585E-01 Delta_et -0.1495920E+00 Pxc 0.6545148E+01 Qxc -0.3675086E+01 3,-1 164 3 -1 1.933670 -0.867845 3.020140 Rho 0.1442052E+00 |GRAD(Rho)| 0.3593695E-16 GRAD(Rho)x 0.1233280E-16 GRAD(Rho)y 0.2265983E-16 GRAD(Rho)z 0.2501797E-16 Laplacian 0.5673980E+00 (-1/4)Del**2(Rho)) -0.1418495E+00 Diamond 0.1100962E+01 Metallicity 0.4816078E+01 Ellipticity 0.3778648E-01 Gb(Abramov) 0.2084260E+00 Vb(Abramov) -0.2750025E+00 Hb(Abramov) -0.6657653E-01 Ex_ueg -0.5585039E-01 Ec_ueg -0.8073600E-02 Delta_ex -0.6039234E-01 Delta_ec 0.1461711E-01 Delta_et -0.1936679E+00 Pxc 0.6917656E+01 Qxc -0.4131620E+01 3,-1 165 3 -1 1.939066 -0.626005 -2.829485 Rho 0.1484155E+00 |GRAD(Rho)| 0.2573736E-15 GRAD(Rho)x 0.1909958E-15 GRAD(Rho)y 0.1676854E-15 GRAD(Rho)z -0.4053900E-16 Laplacian 0.5591712E+00 (-1/4)Del**2(Rho)) -0.1397928E+00 Diamond 0.1129126E+01 Metallicity 0.5127046E+01 Ellipticity 0.1154970E+00 Gb(Abramov) 0.2126492E+00 Vb(Abramov) -0.2855056E+00 Hb(Abramov) -0.7285642E-01 Ex_ueg -0.5803511E-01 Ec_ueg -0.8342161E-02 Delta_ex -0.5999761E-01 Delta_ec 0.1441116E-01 Delta_et -0.1919791E+00 Pxc 0.6956843E+01 Qxc -0.4163273E+01 3,-1 166 3 -1 2.961574 -0.008240 0.043106 Rho 0.5541517E-02 |GRAD(Rho)| 0.9968677E-17 GRAD(Rho)x 0.4154177E-18 GRAD(Rho)y 0.4633587E-17 GRAD(Rho)z 0.8816565E-17 Laplacian 0.2217216E-01 (-1/4)Del**2(Rho)) -0.5543040E-02 Diamond 0.6927224E-03 Metallicity 0.5393280E+00 Ellipticity 0.2709828E+01 Gb(Abramov) 0.4193612E-02 Vb(Abramov) -0.2844185E-02 Hb(Abramov) 0.1349427E-02 Ex_ueg -0.7242524E-03 Ec_ueg -0.1702904E-03 Delta_ex -0.1204780E-02 Delta_ec 0.8412680E-03 Delta_et -0.4654814E-02 Pxc 0.4253043E+01 Qxc -0.1432100E+01 3,-1 167 3 -1 2.952154 -0.874229 2.021830 Rho 0.1690661E+00 |GRAD(Rho)| 0.9896921E-12 GRAD(Rho)x 0.4301142E-12 GRAD(Rho)y -0.7121412E-12 GRAD(Rho)z -0.5360476E-12 Laplacian 0.6632134E+00 (-1/4)Del**2(Rho)) -0.1658033E+00 Diamond 0.1546244E+01 Metallicity 0.5370985E+01 Ellipticity 0.5285236E-01 Gb(Abramov) 0.2589568E+00 Vb(Abramov) -0.3521102E+00 Hb(Abramov) -0.9315342E-01 Ex_ueg -0.6904416E-01 Ec_ueg -0.9674988E-02 Delta_ex -0.7331949E-01 Delta_ec 0.1624272E-01 Delta_et -0.2193451E+00 Pxc 0.7136356E+01 Qxc -0.4513992E+01 3,-1 168 3 +1 2.955250 -0.164443 0.200828 Rho 0.5506614E-02 |GRAD(Rho)| 0.3771356E-17 GRAD(Rho)x -0.3800004E-19 GRAD(Rho)y -0.3205113E-17 GRAD(Rho)z 0.1987191E-17 Laplacian 0.2262082E-01 (-1/4)Del**2(Rho)) -0.5655204E-02 Diamond 0.5829090E-03 Metallicity 0.5230934E+00 Ellipticity -0.2845721E+01 Gb(Abramov) 0.4263170E-02 Vb(Abramov) -0.2871135E-02 Hb(Abramov) 0.1392035E-02 Ex_ueg -0.7181765E-03 Ec_ueg -0.1687792E-03 Delta_ex -0.1131517E-02 Delta_ec 0.6864929E-03 Delta_et -0.3848076E-02 Pxc 0.4255125E+01 Qxc -0.1648257E+01 3,+1 169 3 -1 3.155678 0.029985 3.233486 Rho 0.2446954E+00 |GRAD(Rho)| 0.6192415E-14 GRAD(Rho)x 0.5042082E-14 GRAD(Rho)y -0.3571091E-14 GRAD(Rho)z -0.4131894E-15 Laplacian 0.8891857E+00 (-1/4)Del**2(Rho)) -0.2222964E+00 Diamond 0.3214906E+01 Metallicity 0.7418741E+01 Ellipticity 0.5936510E-02 Gb(Abramov) 0.4230576E+00 Vb(Abramov) -0.6238187E+00 Hb(Abramov) -0.2007611E+00 Ex_ueg -0.1130367E+00 Ec_ueg -0.1476429E-01 Delta_ex -0.1079561E+00 Delta_ec 0.1949189E-01 Delta_et -0.2699893E+00 Pxc 0.7656084E+01 Qxc -0.5538514E+01 3,-1 170 3 +1 2.967704 0.175228 -0.147140 Rho 0.5485687E-02 |GRAD(Rho)| 0.9488422E-17 GRAD(Rho)x -0.2033003E-18 GRAD(Rho)y -0.3871968E-17 GRAD(Rho)z -0.8660062E-17 Laplacian 0.2272923E-01 (-1/4)Del**2(Rho)) -0.5682308E-02 Diamond 0.5717107E-03 Metallicity 0.5173051E+00 Ellipticity -0.2509701E+01 Gb(Abramov) 0.4278120E-02 Vb(Abramov) -0.2873932E-02 Hb(Abramov) 0.1404188E-02 Ex_ueg -0.7145398E-03 Ec_ueg -0.1678734E-03 Delta_ex -0.1127056E-02 Delta_ec 0.6736682E-03 Delta_et -0.3778582E-02 Pxc 0.4256421E+01 Qxc -0.1673014E+01 3,+1 171 3 -1 2.761028 0.539941 1.829072 Rho 0.1320723E+00 |GRAD(Rho)| 0.6676579E-12 GRAD(Rho)x 0.4321818E-12 GRAD(Rho)y 0.7933191E-13 GRAD(Rho)z -0.5026852E-12 Laplacian 0.5542440E+00 (-1/4)Del**2(Rho)) -0.1385610E+00 Diamond 0.9698675E+00 Metallicity 0.4258584E+01 Ellipticity 0.1246680E-01 Gb(Abramov) 0.1907196E+00 Vb(Abramov) -0.2428782E+00 Hb(Abramov) -0.5215860E-01 Ex_ueg -0.4967457E-01 Ec_ueg -0.7305962E-02 Delta_ex -0.5777264E-01 Delta_ec 0.1463138E-01 Delta_et -0.1913360E+00 Pxc 0.6799183E+01 Qxc -0.3948543E+01 3,-1 172 3 +1 2.158708 1.034230 -1.390861 Rho 0.2523359E-01 |GRAD(Rho)| 0.3717820E-15 GRAD(Rho)x -0.3014231E-15 GRAD(Rho)y 0.9295090E-16 GRAD(Rho)z -0.1967895E-15 Laplacian 0.9921028E-01 (-1/4)Del**2(Rho)) -0.2480257E-01 Diamond 0.1272721E-01 Metallicity 0.1507839E+01 Ellipticity -0.3092173E+01 Gb(Abramov) 0.2276809E-01 Vb(Abramov) -0.2073362E-01 Hb(Abramov) 0.2034476E-02 Ex_ueg -0.5466263E-02 Ec_ueg -0.1100482E-02 Delta_ex -0.6141114E-02 Delta_ec 0.1603930E-02 Delta_et -0.1420835E-01 Pxc 0.4967152E+01 Qxc -0.3828791E+01 3,+1 173 3 -1 2.937045 -1.994805 0.824839 Rho 0.1012826E+00 |GRAD(Rho)| 0.2501927E-15 GRAD(Rho)x -0.7330223E-16 GRAD(Rho)y 0.2108265E-15 GRAD(Rho)z -0.1130281E-15 Laplacian 0.4023605E+00 (-1/4)Del**2(Rho)) -0.1005901E+00 Diamond 0.5064454E+00 Metallicity 0.3768966E+01 Ellipticity 0.1176934E-02 Gb(Abramov) 0.1302469E+00 Vb(Abramov) -0.1599036E+00 Hb(Abramov) -0.2965676E-01 Ex_ueg -0.3486834E-01 Ec_ueg -0.5402810E-02 Delta_ex -0.3929862E-01 Delta_ec 0.1113626E-01 Delta_et -0.1386192E+00 Pxc 0.6453741E+01 Qxc -0.3528887E+01 3,-1 174 3 -1 2.791604 -1.800671 -0.602385 Rho 0.1575529E+00 |GRAD(Rho)| 0.1718630E-14 GRAD(Rho)x -0.4027269E-15 GRAD(Rho)y -0.1464676E-14 GRAD(Rho)z 0.8038817E-15 Laplacian 0.6445599E+00 (-1/4)Del**2(Rho)) -0.1611400E+00 Diamond 0.1380862E+01 Metallicity 0.4913531E+01 Ellipticity 0.1850981E-01 Gb(Abramov) 0.2393877E+00 Vb(Abramov) -0.3176354E+00 Hb(Abramov) -0.7824772E-01 Ex_ueg -0.6284732E-01 Ec_ueg -0.8928746E-02 Delta_ex -0.7001927E-01 Delta_ec 0.1607544E-01 Delta_et -0.2152231E+00 Pxc 0.7038763E+01 Qxc -0.4355666E+01 3,-1 175 3 -1 3.221325 3.160234 0.072586 Rho 0.2451869E+00 |GRAD(Rho)| 0.5417217E-15 GRAD(Rho)x 0.4799763E-15 GRAD(Rho)y 0.2229120E-15 GRAD(Rho)z 0.1157386E-15 Laplacian 0.8947412E+00 (-1/4)Del**2(Rho)) -0.2236853E+00 Diamond 0.3241265E+01 Metallicity 0.7397377E+01 Ellipticity 0.1755166E-02 Gb(Abramov) 0.4249043E+00 Vb(Abramov) -0.6261233E+00 Hb(Abramov) -0.2012190E+00 Ex_ueg -0.1133395E+00 Ec_ueg -0.1479840E-01 Delta_ex -0.1086797E+00 Delta_ec 0.1958754E-01 Delta_et -0.2712640E+00 Pxc 0.7658901E+01 Qxc -0.5548407E+01 3,-1 176 3 -1 3.263794 -0.007838 -3.239327 Rho 0.2327916E+00 |GRAD(Rho)| 0.7531727E-15 GRAD(Rho)x 0.5474137E-15 GRAD(Rho)y -0.1317441E-15 GRAD(Rho)z -0.5002509E-15 Laplacian 0.8303338E+00 (-1/4)Del**2(Rho)) -0.2075834E+00 Diamond 0.2847011E+01 Metallicity 0.7310930E+01 Ellipticity 0.1527135E-02 Gb(Abramov) 0.3913270E+00 Vb(Abramov) -0.5750705E+00 Hb(Abramov) -0.1837435E+00 Ex_ueg -0.1057649E+00 Ec_ueg -0.1394224E-01 Delta_ex -0.9961641E-01 Delta_ec 0.1866833E-01 Delta_et -0.2589688E+00 Pxc 0.7585931E+01 Qxc -0.5336118E+01 3,-1 177 3 +1 2.125903 -1.388053 1.075474 Rho 0.2736680E-01 |GRAD(Rho)| 0.2872747E-16 GRAD(Rho)x -0.2152140E-16 GRAD(Rho)y 0.7786184E-17 GRAD(Rho)z -0.1736297E-16 Laplacian 0.1076487E+00 (-1/4)Del**2(Rho)) -0.2691218E-01 Diamond 0.1578056E-01 Metallicity 0.1590905E+01 Ellipticity -0.3831982E+01 Gb(Abramov) 0.2507724E-01 Vb(Abramov) -0.2324230E-01 Hb(Abramov) 0.1834938E-02 Ex_ueg -0.6090932E-02 Ec_ueg -0.1208602E-02 Delta_ex -0.6843352E-02 Delta_ec 0.1798111E-02 Delta_et -0.1622938E-01 Pxc 0.5039652E+01 Qxc -0.3805856E+01 3,+1 178 3 -1 -3.159176 -0.062302 3.264740 Rho 0.2443975E+00 |GRAD(Rho)| 0.4762292E-15 GRAD(Rho)x -0.2505591E-15 GRAD(Rho)y -0.2983453E-15 GRAD(Rho)z 0.2738695E-15 Laplacian 0.9013922E+00 (-1/4)Del**2(Rho)) -0.2253480E+00 Diamond 0.3244050E+01 Metallicity 0.7303439E+01 Ellipticity 0.1226586E-02 Gb(Abramov) 0.4245346E+00 Vb(Abramov) -0.6237212E+00 Hb(Abramov) -0.1991866E+00 Ex_ueg -0.1128533E+00 Ec_ueg -0.1474363E-01 Delta_ex -0.1093501E+00 Delta_ec 0.1967192E-01 Delta_et -0.2720447E+00 Pxc 0.7654374E+01 Qxc -0.5558690E+01 3,-1 179 3 -1 -3.236631 0.073614 -3.199323 Rho 0.2359018E+00 |GRAD(Rho)| 0.3718576E-15 GRAD(Rho)x 0.2146720E-16 GRAD(Rho)y -0.2981556E-16 GRAD(Rho)z -0.3700382E-15 Laplacian 0.8747533E+00 (-1/4)Del**2(Rho)) -0.2186883E+00 Diamond 0.3020104E+01 Metallicity 0.7094899E+01 Ellipticity 0.2175658E-01 Gb(Abramov) 0.4043875E+00 Vb(Abramov) -0.5900866E+00 Hb(Abramov) -0.1856991E+00 Ex_ueg -0.1076531E+00 Ec_ueg -0.1415627E-01 Delta_ex -0.1051586E+00 Delta_ec 0.1932359E-01 Delta_et -0.2670704E+00 Pxc 0.7604623E+01 Qxc -0.5441981E+01 3,-1 180 3 +1 1.108976 1.301958 -2.178461 Rho 0.2650037E-01 |GRAD(Rho)| 0.9906955E-16 GRAD(Rho)x -0.2840316E-16 GRAD(Rho)y 0.7303243E-16 GRAD(Rho)z -0.6061601E-16 Laplacian 0.1072794E+00 (-1/4)Del**2(Rho)) -0.2681984E-01 Diamond 0.1657719E-01 Metallicity 0.1513039E+01 Ellipticity -0.6481078E+01 Gb(Abramov) 0.2464314E-01 Vb(Abramov) -0.2246644E-01 Hb(Abramov) 0.2176705E-02 Ex_ueg -0.5835179E-02 Ec_ueg -0.1164548E-02 Delta_ex -0.6915119E-02 Delta_ec 0.2066918E-02 Delta_et -0.1845909E-01 Pxc 0.5010682E+01 Qxc -0.3345618E+01 3,+1 181 3 -1 -2.133728 -0.898429 -3.303948 Rho 0.2367687E+00 |GRAD(Rho)| 0.3251679E-10 GRAD(Rho)x 0.1272809E-10 GRAD(Rho)y -0.2183618E-10 GRAD(Rho)z -0.2045773E-10 Laplacian 0.8998660E+00 (-1/4)Del**2(Rho)) -0.2249665E+00 Diamond 0.3097137E+01 Metallicity 0.6939197E+01 Ellipticity 0.1624913E-01 Gb(Abramov) 0.4101588E+00 Vb(Abramov) -0.5953511E+00 Hb(Abramov) -0.1851923E+00 Ex_ueg -0.1081810E+00 Ec_ueg -0.1421603E-01 Delta_ex -0.1081542E+00 Delta_ec 0.1963024E-01 Delta_et -0.2703558E+00 Pxc 0.7609787E+01 Qxc -0.5509574E+01 3,-1 182 3 -1 1.684283 -0.576087 1.718315 Rho 0.4223332E-01 |GRAD(Rho)| 0.1527124E-16 GRAD(Rho)x -0.1031496E-16 GRAD(Rho)y -0.1126109E-16 GRAD(Rho)z -0.1376429E-19 Laplacian 0.1684239E+00 (-1/4)Del**2(Rho)) -0.4210597E-01 Diamond 0.6643174E-01 Metallicity 0.2095567E+01 Ellipticity 0.3547666E-01 Gb(Abramov) 0.4277662E-01 Vb(Abramov) -0.4344728E-01 Hb(Abramov) -0.6706549E-03 Ex_ueg -0.1086239E-01 Ec_ueg -0.1990287E-02 Delta_ex -0.1321231E-01 Delta_ec 0.4885852E-02 Delta_et -0.4924971E-01 Pxc 0.5457700E+01 Qxc -0.2704198E+01 3,-1 183 3 -1 2.785609 1.779398 0.587296 Rho 0.1500493E+00 |GRAD(Rho)| 0.5996698E-15 GRAD(Rho)x -0.9360731E-16 GRAD(Rho)y 0.4679959E-15 GRAD(Rho)z -0.3630722E-15 Laplacian 0.6344121E+00 (-1/4)Del**2(Rho)) -0.1586030E+00 Diamond 0.1284003E+01 Metallicity 0.4602193E+01 Ellipticity 0.1384887E-01 Gb(Abramov) 0.2273890E+00 Vb(Abramov) -0.2961749E+00 Hb(Abramov) -0.6878595E-01 Ex_ueg -0.5888847E-01 Ec_ueg -0.8446668E-02 Delta_ex -0.6811407E-01 Delta_ec 0.1605714E-01 Delta_et -0.2136742E+00 Pxc 0.6971798E+01 Qxc -0.4241980E+01 3,-1 184 3 -1 3.183531 -3.208995 -0.115693 Rho 0.2390397E+00 |GRAD(Rho)| 0.6240302E-08 GRAD(Rho)x 0.4496332E-08 GRAD(Rho)y -0.4264519E-08 GRAD(Rho)z -0.7336560E-09 Laplacian 0.8763847E+00 (-1/4)Del**2(Rho)) -0.2190962E+00 Diamond 0.3077577E+01 Metallicity 0.7239388E+01 Ellipticity 0.8811498E-02 Gb(Abramov) 0.4104178E+00 Vb(Abramov) -0.6017395E+00 Hb(Abramov) -0.1913216E+00 Ex_ueg -0.1095667E+00 Ec_ueg -0.1437276E-01 Delta_ex -0.1057367E+00 Delta_ec 0.1931596E-01 Delta_et -0.2672278E+00 Pxc 0.7623219E+01 Qxc -0.5474059E+01 3,-1 185 3 -1 1.209973 -1.822151 -2.529664 Rho 0.2989696E+00 |GRAD(Rho)| 0.7208962E-14 GRAD(Rho)x -0.5735583E-14 GRAD(Rho)y 0.4052979E-14 GRAD(Rho)z -0.1626524E-14 Laplacian -0.1457411E+01 (-1/4)Del**2(Rho)) 0.3643529E+00 Diamond 0.4900803E+01 Metallicity -0.6320373E+01 Ellipticity 0.4749790E-02 Gb(Abramov) 0.1409057E+00 Vb(Abramov) -0.6461644E+00 Hb(Abramov) -0.5052586E+00 Ex_ueg -0.1476458E+00 Ec_ueg -0.1861081E-01 Delta_ex 0.1404798E+00 Delta_ec 0.5232675E-01 Delta_et -0.1202729E+01 Pxc 0.7933336E+01 Qxc 0.2684664E+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 80 81 111 110 124 143 137 123 133 120 134 122 118 107 114 139 145 130 117 138 141 108 86 132 154 174 147 173 160 184 150 183 142 156 161 175 83 104 84 64 85 66 81 68 77 62 76 60 97 65 90 67 181 179 92 69 89 58 93 178 182 171 157 167 164 169 106 163 165 158 159 176 72 127 71 166 109 185 121 115 148 79 101 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 18 21 21 22 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 20 36 52 24 27 52 53 53 2.380541 1.996848 1.901161 1.956626 1.894314 1.735840 1.713234 1.694736 1.704583 1.711120 2.373973 1.923226 1.871130 2.077935 1.953302 1.727376 2.420882 1.946294 1.944898 1.985449 1.898942 1.727087 2.406558 1.896127 1.807414 2.081979 2.038368 1.745221 2.417586 1.911522 1.934555 1.921376 1.962067 1.735452 2.406768 1.808633 2.036987 1.926198 2.048396 1.732039 2.344445 1.937767 1.984827 1.918155 1.932458 1.734370 2.324826 2.230736 1.954847 1.982072 1.748132 1.750204 2.364535 1.951450 1.888995 1.987022 1.926389 1.736513 2.440096 1.961930 1.953319 1.877826 1.938612 1.736299 2.469992 2.020839 1.908910 1.983573 1.880330 1.728492 3.184549 3.069575 3.194573 3.249341 3.267058 1.015661 3.244078 3.225054 1.634967 1.867891 0.997813 2.382251 1.997205 1.901664 1.957259 1.894896 1.735845 1.713252 1.694783 1.704599 1.711135 2.375613 1.923716 1.871742 2.078670 1.954135 1.727397 2.422625 1.946880 1.945421 1.986218 1.899657 1.727102 2.408150 1.896588 1.807540 2.082534 2.038925 1.745241 2.419442 1.911951 1.935029 1.922022 1.962682 1.735459 2.408212 1.809033 2.037428 1.926867 2.049157 1.732068 2.346557 1.938291 1.985221 1.918862 1.933783 1.734383 2.327109 2.231061 1.955297 1.982718 1.748142 1.750224 2.366189 1.951862 1.889454 1.987655 1.926997 1.736521 2.441784 1.962318 1.953786 1.878339 1.939217 1.736307 2.471491 2.021484 1.910469 1.984431 1.880996 1.728508 3.221088 3.073978 3.206998 3.254384 3.272504 1.015754 3.250113 3.233903 1.638136 1.868685 0.997939 30 28 27 26 27 22 22 23 23 23 30 28 28 25 25 24 31 27 23 28 28 25 27 27 24 30 25 24 27 28 26 25 25 26 31 24 26 26 30 24 30 27 27 27 27 22 30 28 27 26 24 24 31 27 27 27 29 24 30 26 24 26 28 23 31 25 27 25 24 23 35 35 35 35 35 20 35 35 24 27 23 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W As Mo Mo W W Mo W W W W Mo 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 2.4912 2.4791 2.3526 2.3458 2.4201 2.4682 2.3382 2.4818 2.3926 2.4637 2.4874 2.3167 -1.1251 -1.0380 -1.1191 -1.1240 -0.9576 -0.9467 -0.8591 -0.9564 -0.7302 -0.9298 -0.9416 -0.9498 -0.8982 -0.9619 -0.9275 -0.9016 -0.9597 -0.9813 -0.9298 -0.9279 -0.9654 -0.8927 -0.9292 -0.7796 -0.7813 -0.8978 -0.9653 -0.9258 -0.7800 -0.7105 -0.7015 -0.7077 -0.8080 -0.7771 -0.7193 -0.7717 -0.8097 -0.7797 -0.7842 0.2927 0.3217 2.0863 0.8274 1.9388 1.9488 2.1092 2.0892 1.9379 2.1088 2.1226 2.0933 2.0850 1.9527 1.9348 1.9465 1.9384 1.9351 1.9328 1.9350 1.9564 1.9333 1.8822 1.9361 1.9364 1.9337 1.9440 1.9311 1.9367 1.9579 1.9452 1.9423 1.9462 1.9489 1.9429 1.9514 1.9469 1.9625 1.8797 1.9496 1.9439 1.9475 1.9674 1.9765 1.9787 1.9777 1.9631 1.9680 1.9756 1.9681 1.9610 1.9677 1.9666 0.5370 0.5384 6.0857 1.1422 6.0709 6.0697 6.1038 6.0940 6.0685 6.0956 6.0907 6.0970 6.0840 6.0868 5.1527 5.0541 5.1431 5.1513 4.9952 4.9834 4.8739 4.9928 4.8177 4.9670 4.9777 4.9857 4.9273 5.0001 4.9627 4.9107 4.9837 5.0068 4.9536 4.9491 4.9901 4.9143 4.9522 4.7828 4.8705 4.9215 4.9899 4.9488 4.7765 4.7005 4.6891 4.6962 4.8105 4.7729 4.7106 4.7674 4.8149 4.7760 4.7816 0.1703 0.1399 3.3075 10.5513 3.6377 3.6358 3.3383 3.3193 3.6555 3.2848 3.3660 3.3167 3.3144 3.6438 0.0377 0.0374 0.0376 0.0375 0.0296 0.0282 0.0288 0.0303 0.0304 0.0266 0.0274 0.0305 0.0269 0.0307 0.0281 0.0331 0.0308 0.0322 0.0300 0.0299 0.0324 0.0270 0.0301 0.0343 0.0311 0.0267 0.0315 0.0296 0.0361 0.0335 0.0338 0.0338 0.0345 0.0362 0.0330 0.0362 0.0338 0.0360 0.0360 0.0000 0.0000 14.0293 0.0000 0.0000 0.0000 14.0286 14.0293 0.0000 14.0291 14.0281 14.0294 14.0292 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 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W As Mo Mo W W Mo W W W W Mo 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 2.514019 2.317632 3.173666 3.178480 2.481834 2.514518 3.162930 2.531147 2.487799 2.512646 2.510282 3.167796 -1.096380 -1.032142 -1.169777 -1.175722 -0.961048 -1.059062 -1.074669 -0.953290 -0.738970 -1.077083 -1.077411 -0.952982 -1.173153 -0.956346 -1.071240 -0.766212 -0.944177 -0.941068 -1.041057 -1.056193 -0.942242 -1.137112 -1.040198 -0.823505 -0.597985 -1.149028 -0.941583 -1.045230 -0.811751 -0.985688 -0.969783 -0.978052 -0.849299 -0.807422 -0.990686 -0.801610 -0.850500 -0.810569 -0.816907 0.045229 0.069154 1.938408 1.696176 2.374384 2.366973 1.915953 1.951275 2.368033 1.953659 1.950586 1.944230 1.942607 2.340668 -0.746306 -0.715055 -0.854550 -0.857716 -0.712974 -0.832831 -0.836845 -0.716206 -0.809078 -0.816482 -0.806516 -0.724590 -0.918423 -0.713442 -0.814434 -0.647738 -0.782236 -0.757915 -0.843920 -0.859084 -0.767673 -0.918333 -0.854474 -0.716263 -0.768210 -0.942516 -0.777985 -0.842748 -0.707885 -0.740065 -0.734804 -0.749381 -0.744531 -0.694069 -0.754144 -0.688333 -0.751455 -0.697691 -0.712613 0.282929 0.303633 2.037605 1.663400 2.457442 2.452972 2.007808 2.051316 2.445067 2.059074 2.032887 2.043928 2.044437 2.450001 -0.794621 -0.775224 -0.873251 -0.882020 -0.802560 -0.917978 -0.894796 -0.795927 -0.879299 -0.901638 -0.903015 -0.793221 -0.981023 -0.821794 -0.894692 -0.760585 -0.810911 -0.789602 -0.889281 -0.904919 -0.798400 -0.966361 -0.893031 -0.696768 -0.786589 -0.974144 -0.818435 -0.887751 -0.675166 -0.721411 -0.693834 -0.710201 -0.716140 -0.654146 -0.714111 -0.670668 -0.739988 -0.657087 -0.681828 0.389848 0.386632 1.34972733 1.32950108 -0.38457074 1.93319209 -17.54894255 1.77798092 -11.15306854 13.79023366 10.07485037 3.75870888 -365.7712 409.5618 -87.3682 -375.4982 -29.4578 -448.5336 Jun10-2024 15:28:21 Nodes: 1 Procs: 1 Jun10-2024 15:28:25 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:52 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:21 Nodes: 1 Procs: 5 *** (NO TITLE) *** -5 -15.90497725 -16.31501786 -16.10095017 -16.23201213 -16.38696721 -16.42158068 -16.45874843 -16.46219470 -16.46374635 -16.46547066 -16.46821799 -16.46984439 -16.47126478 -16.47102464 -16.47652939 -16.48102211 -16.47945464 -16.48152018 -16.48254479 -16.48268784 -16.48275649 -16.48288414 -16.48290816 -16.48296826 -16.48297982 -16.48300295 -16.48301776 -16.48303832 -16.48305588 -16.48308853 -16.48310901 -16.48318411 -16.48320207 -16.48320489 -16.48322792 -16.48326595 -16.48328062 -16.48329049 -16.48330550 GEOMETRY CONVERGED