ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:40:53 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.06 1.97 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun20-2024 08:40:53 Nodes: 1 Procs: 1 Jun20-2024 08:40:55 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:40:58 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.00 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 08:40:53 Nodes: 1 Procs: 1 Jun20-2024 08:40:55 Nodes: 1 Procs: 1 0 Jun20-2024 08:40:58 Nodes: 1 Procs: 1 Jun20-2024 08:41:00 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:41:04 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.98 0.05 1.74 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun20-2024 08:40:53 Nodes: 1 Procs: 1 Jun20-2024 08:40:55 Nodes: 1 Procs: 1 0 Jun20-2024 08:40:58 Nodes: 1 Procs: 1 Jun20-2024 08:41:00 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 08:41:04 Nodes: 1 Procs: 1 Jun20-2024 08:41:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:41:07 Arsenic (TZP, 3p frozen) c5-2 c5-2 c5-2 c5-2 c5-2 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.07 3.21 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 Jun20-2024 08:40:53 Nodes: 1 Procs: 1 Jun20-2024 08:40:55 Nodes: 1 Procs: 1 0 Jun20-2024 08:40:58 Nodes: 1 Procs: 1 Jun20-2024 08:41:00 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 08:41:04 Nodes: 1 Procs: 1 Jun20-2024 08:41:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 08:41:07 Nodes: 1 Procs: 1 Jun20-2024 08:41:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 08:41:16 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2703.785600000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Ta ADF 2019.304 Jun20-2024 08:41:00 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun20-2024 08:40:55 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun20-2024 08:41:10 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun20-2024 08:41:05 1 1 Oxygen TZP 1s 1 1 -16.87531351 0.34254482 0.00100000 F 0.09047256 0.00066667 F 0.34254482 0.09047256 0.29946606 0.01000000 F 0.06888496 0.00666667 F Cartesian 2703.785600000006 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0.5993079E-02 Vb(Abramov) -0.4469915E-02 Hb(Abramov) 0.1523164E-02 Ex_ueg -0.1246545E-02 Ec_ueg -0.2927851E-03 Delta_ex -0.1375817E-02 Delta_ec 0.4471361E-03 Delta_et -0.3011143E-02 Pxc 0.4257543E+01 Qxc -0.3076954E+01 3,+1 54 3 -1 -3.460922 -2.197422 -2.382589 Rho 0.1826339E+00 |GRAD(Rho)| 0.1103036E-13 GRAD(Rho)x 0.8822858E-14 GRAD(Rho)y 0.9404912E-15 GRAD(Rho)z 0.6552972E-14 Laplacian 0.6884691E+00 (-1/4)Del**2(Rho)) -0.1721173E+00 Diamond 0.1781264E+01 Metallicity 0.5884342E+01 Ellipticity 0.2181583E-01 Gb(Abramov) 0.2835443E+00 Vb(Abramov) -0.3949714E+00 Hb(Abramov) -0.1114271E+00 Ex_ueg -0.7652918E-01 Ec_ueg -0.1056436E-01 Delta_ex -0.7775642E-01 Delta_ec 0.1680040E-01 Delta_et -0.2296280E+00 Pxc 0.7244093E+01 Qxc -0.4628249E+01 3,-1 55 3 -1 -3.397526 -2.184332 2.370256 Rho 0.1837677E+00 |GRAD(Rho)| 0.3920488E-15 GRAD(Rho)x 0.2762547E-15 GRAD(Rho)y -0.7549096E-16 GRAD(Rho)z -0.2677437E-15 Laplacian 0.6953513E+00 (-1/4)Del**2(Rho)) -0.1738378E+00 Diamond 0.1809154E+01 Metallicity 0.5886504E+01 Ellipticity 0.1859990E-01 Gb(Abramov) 0.2864414E+00 Vb(Abramov) -0.3990449E+00 Hb(Abramov) -0.1126036E+00 Ex_ueg -0.7716326E-01 Ec_ueg -0.1063915E-01 Delta_ex -0.7863077E-01 Delta_ec 0.1689543E-01 Delta_et -0.2309398E+00 Pxc 0.7252764E+01 Qxc -0.4653967E+01 3,-1 56 3 -1 -1.826703 -1.781485 0.870110 Rho 0.4380507E-01 |GRAD(Rho)| 0.5265807E-13 GRAD(Rho)x -0.3286797E-13 GRAD(Rho)y -0.2087936E-13 GRAD(Rho)z 0.3544885E-13 Laplacian 0.1851852E+00 (-1/4)Del**2(Rho)) -0.4629630E-01 Diamond 0.8597452E-01 Metallicity 0.2025571E+01 Ellipticity 0.3157114E-01 Gb(Abramov) 0.4649360E-01 Vb(Abramov) -0.4669091E-01 Hb(Abramov) -0.1973071E-03 Ex_ueg -0.1140471E-01 Ec_ueg -0.2075416E-02 Delta_ex -0.1513425E-01 Delta_ec 0.6216078E-02 Delta_et -0.6342394E-01 Pxc 0.5495143E+01 Qxc -0.2434694E+01 3,-1 57 3 +1 -0.621832 -0.868270 1.548556 Rho 0.8943680E-02 |GRAD(Rho)| 0.1558952E-16 GRAD(Rho)x 0.5853825E-17 GRAD(Rho)y -0.4037369E-18 GRAD(Rho)z -0.1444309E-16 Laplacian 0.3331072E-01 (-1/4)Del**2(Rho)) -0.8327680E-02 Diamond 0.9624691E-03 Metallicity 0.7971798E+00 Ellipticity -0.1552639E+01 Gb(Abramov) 0.6658230E-02 Vb(Abramov) -0.4988779E-02 Hb(Abramov) 0.1669450E-02 Ex_ueg -0.1371114E-02 Ec_ueg -0.3203834E-03 Delta_ex -0.1546419E-02 Delta_ec 0.4856227E-03 Delta_et -0.3339228E-02 Pxc 0.4279602E+01 Qxc -0.3184405E+01 3,+1 58 3 +1 -1.759725 -0.067373 0.781339 Rho 0.8116449E-02 |GRAD(Rho)| 0.9878407E-15 GRAD(Rho)x 0.7317145E-15 GRAD(Rho)y 0.1502015E-15 GRAD(Rho)z -0.6464230E-15 Laplacian 0.3060681E-01 (-1/4)Del**2(Rho)) -0.7651702E-02 Diamond 0.8271260E-03 Metallicity 0.7380265E+00 Ellipticity -0.1578661E+01 Gb(Abramov) 0.6042328E-02 Vb(Abramov) -0.4432953E-02 Hb(Abramov) 0.1609374E-02 Ex_ueg -0.1204684E-02 Ec_ueg -0.2833969E-03 Delta_ex -0.1412097E-02 Delta_ec 0.4916410E-03 Delta_et -0.3260251E-02 Pxc 0.4250872E+01 Qxc -0.2872212E+01 3,+1 59 3 +1 -3.118382 -0.418594 0.028758 Rho 0.4824782E-02 |GRAD(Rho)| 0.1044426E-11 GRAD(Rho)x 0.2651876E-12 GRAD(Rho)y 0.1010186E-11 GRAD(Rho)z 0.5088210E-14 Laplacian 0.1818332E-01 (-1/4)Del**2(Rho)) -0.4545831E-02 Diamond 0.2591427E-03 Metallicity 0.5220787E+00 Ellipticity -0.1388350E+01 Gb(Abramov) 0.3426101E-02 Vb(Abramov) -0.2306371E-02 Hb(Abramov) 0.1119730E-02 Ex_ueg -0.6021277E-03 Ec_ueg -0.1393802E-03 Delta_ex -0.7566320E-03 Delta_ec 0.3204057E-03 Delta_et -0.1823862E-02 Pxc 0.4320036E+01 Qxc -0.2361482E+01 3,+1 60 3 +3 -1.214625 -0.028283 1.586986 Rho 0.4926887E-02 |GRAD(Rho)| 0.2619722E-13 GRAD(Rho)x -0.8066969E-14 GRAD(Rho)y 0.2436958E-13 GRAD(Rho)z -0.5228950E-14 Laplacian 0.1847185E-01 (-1/4)Del**2(Rho)) -0.4617962E-02 Diamond 0.1247976E-03 Metallicity 0.5321783E+00 Ellipticity -0.3791321E+00 Gb(Abramov) 0.3488238E-02 Vb(Abramov) -0.2358513E-02 Hb(Abramov) 0.1129724E-02 Ex_ueg -0.6191775E-03 Ec_ueg -0.1437678E-03 Delta_ex -0.6340512E-03 Delta_ec 0.7862968E-04 Delta_et -0.6288423E-03 Pxc 0.4306789E+01 Qxc -0.8063764E+01 3,+3 61 3 +1 -1.406393 2.322187 -0.809906 Rho 0.2280973E-01 |GRAD(Rho)| 0.2514458E-13 GRAD(Rho)x -0.1858928E-13 GRAD(Rho)y -0.5346993E-14 GRAD(Rho)z -0.1606543E-13 Laplacian 0.8331911E-01 (-1/4)Del**2(Rho)) -0.2082978E-01 Diamond 0.8338248E-02 Metallicity 0.1517291E+01 Ellipticity -0.2398147E+01 Gb(Abramov) 0.1915399E-01 Vb(Abramov) -0.1747820E-01 Hb(Abramov) 0.1675788E-02 Ex_ueg -0.4777624E-02 Ec_ueg -0.9790825E-03 Delta_ex -0.4901482E-02 Delta_ec 0.1136181E-02 Delta_et -0.9886816E-02 Pxc 0.4879695E+01 Qxc -0.4313996E+01 3,+1 62 3 -1 -1.742813 1.563958 -0.864084 Rho 0.4204640E-01 |GRAD(Rho)| 0.1660358E-14 GRAD(Rho)x 0.9059729E-15 GRAD(Rho)y 0.1389532E-14 GRAD(Rho)z 0.7214222E-16 Laplacian 0.1754459E+00 (-1/4)Del**2(Rho)) -0.4386148E-01 Diamond 0.7582460E-01 Metallicity 0.1996877E+01 Ellipticity 0.1227130E-01 Gb(Abramov) 0.4383865E-01 Vb(Abramov) -0.4381582E-01 Hb(Abramov) 0.2282964E-04 Ex_ueg -0.1079834E-01 Ec_ueg -0.1980191E-02 Delta_ex -0.1413015E-01 Delta_ec 0.5772168E-02 Delta_et -0.5822000E-01 Pxc 0.5453179E+01 Qxc -0.2447980E+01 3,-1 63 3 +1 -0.666151 -0.887269 -1.574611 Rho 0.8084982E-02 |GRAD(Rho)| 0.1374396E-16 GRAD(Rho)x -0.9712751E-17 GRAD(Rho)y 0.1941274E-17 GRAD(Rho)z -0.9528393E-17 Laplacian 0.2948777E-01 (-1/4)Del**2(Rho)) -0.7371942E-02 Diamond 0.7536602E-03 Metallicity 0.7610905E+00 Ellipticity -0.1551240E+01 Gb(Abramov) 0.5849747E-02 Vb(Abramov) -0.4327552E-02 Hb(Abramov) 0.1522195E-02 Ex_ueg -0.1198461E-02 Ec_ueg -0.2819960E-03 Delta_ex -0.1340076E-02 Delta_ec 0.4395742E-03 Delta_et -0.2936667E-02 Pxc 0.4249921E+01 Qxc -0.3048578E+01 3,+1 64 3 -1 -2.909349 -0.959923 -1.700124 Rho 0.7100521E-01 |GRAD(Rho)| 0.3535486E-14 GRAD(Rho)x 0.1926283E-14 GRAD(Rho)y 0.2815775E-14 GRAD(Rho)z 0.9276379E-15 Laplacian 0.3042443E+00 (-1/4)Del**2(Rho)) -0.7606107E-01 Diamond 0.2590112E+00 Metallicity 0.2757662E+01 Ellipticity 0.7916184E-02 Gb(Abramov) 0.8566584E-01 Vb(Abramov) -0.9527061E-01 Hb(Abramov) -0.9604768E-02 Ex_ueg -0.2171561E-01 Ec_ueg -0.3605249E-02 Delta_ex -0.2767084E-01 Delta_ec 0.9549559E-02 Delta_et -0.1103822E+00 Pxc 0.6023332E+01 Qxc -0.2897603E+01 3,-1 65 3 -1 -2.862419 -0.949998 1.691994 Rho 0.5127978E-01 |GRAD(Rho)| 0.1511197E-15 GRAD(Rho)x -0.2380777E-16 GRAD(Rho)y 0.1490795E-15 GRAD(Rho)z 0.6757205E-17 Laplacian 0.2217622E+00 (-1/4)Del**2(Rho)) -0.5544055E-01 Diamond 0.1276234E+00 Metallicity 0.2199392E+01 Ellipticity 0.9570310E-02 Gb(Abramov) 0.5728295E-01 Vb(Abramov) -0.5912535E-01 Hb(Abramov) -0.1842398E-02 Ex_ueg -0.1407062E-01 Ec_ueg -0.2485737E-02 Delta_ex -0.1884035E-01 Delta_ec 0.7445366E-02 Delta_et -0.7928580E-01 Pxc 0.5660544E+01 Qxc -0.2530479E+01 3,-1 66 3 -1 -2.859247 0.887794 -1.693424 Rho 0.1726827E+00 |GRAD(Rho)| 0.2607028E-15 GRAD(Rho)x -0.2395680E-15 GRAD(Rho)y 0.1626303E-17 GRAD(Rho)z 0.1028129E-15 Laplacian 0.7007090E+00 (-1/4)Del**2(Rho)) -0.1751772E+00 Diamond 0.1685177E+01 Metallicity 0.5266114E+01 Ellipticity 0.1976697E-01 Gb(Abramov) 0.2705354E+00 Vb(Abramov) -0.3658935E+00 Hb(Abramov) -0.9535815E-01 Ex_ueg -0.7102047E-01 Ec_ueg -0.9911017E-02 Delta_ex -0.7795419E-01 Delta_ec 0.1720645E-01 Delta_et -0.2333152E+00 Pxc 0.7165811E+01 Qxc -0.4530522E+01 3,-1 67 3 -1 -2.850384 0.935205 1.678276 Rho 0.2023218E+00 |GRAD(Rho)| 0.3086894E-15 GRAD(Rho)x 0.1678345E-15 GRAD(Rho)y 0.2450839E-15 GRAD(Rho)z 0.8399179E-16 Laplacian 0.8036177E+00 (-1/4)Del**2(Rho)) -0.2009044E+00 Diamond 0.2298304E+01 Metallicity 0.5979085E+01 Ellipticity 0.2029056E-01 Gb(Abramov) 0.3341404E+00 Vb(Abramov) -0.4673763E+00 Hb(Abramov) -0.1332360E+00 Ex_ueg -0.8772201E-01 Ec_ueg -0.1187354E-01 Delta_ex -0.9279114E-01 Delta_ec 0.1844756E-01 Delta_et -0.2524280E+00 Pxc 0.7388025E+01 Qxc -0.5029997E+01 3,-1 68 3 +3 -1.189559 -0.049157 -1.620862 Rho 0.4886276E-02 |GRAD(Rho)| 0.3367612E-17 GRAD(Rho)x 0.1898715E-17 GRAD(Rho)y 0.2103455E-17 GRAD(Rho)z -0.1819660E-17 Laplacian 0.1728272E-01 (-1/4)Del**2(Rho)) -0.4320680E-02 Diamond 0.1107500E-03 Metallicity 0.5610019E+00 Ellipticity -0.3594541E+00 Gb(Abramov) 0.3284438E-02 Vb(Abramov) -0.2248197E-02 Hb(Abramov) 0.1036242E-02 Ex_ueg -0.6123819E-03 Ec_ueg -0.1420221E-03 Delta_ex -0.5873731E-03 Delta_ec 0.6553754E-04 Delta_et -0.5474823E-03 Pxc 0.4311879E+01 Qxc -0.8962392E+01 3,+3 69 3 +1 -1.818488 0.006758 -2.528699 Rho 0.1058004E-01 |GRAD(Rho)| 0.8425755E-16 GRAD(Rho)x -0.3482325E-16 GRAD(Rho)y 0.6808516E-16 GRAD(Rho)z 0.3537073E-16 Laplacian 0.4538913E-01 (-1/4)Del**2(Rho)) -0.1134728E-01 Diamond 0.1427445E-02 Metallicity 0.7741176E+00 Ellipticity -0.1303188E+01 Gb(Abramov) 0.9028877E-02 Vb(Abramov) -0.6710471E-02 Hb(Abramov) 0.2318405E-02 Ex_ueg -0.1715411E-02 Ec_ueg -0.3944220E-03 Delta_ex -0.2123305E-02 Delta_ec 0.5262487E-03 Delta_et -0.3876957E-02 Pxc 0.4349177E+01 Qxc -0.4034793E+01 3,+1 70 3 +3 -2.417379 -0.105275 0.017369 Rho 0.4380835E-02 |GRAD(Rho)| 0.1111275E-17 GRAD(Rho)x -0.1333108E-18 GRAD(Rho)y 0.3140534E-19 GRAD(Rho)z 0.1102803E-17 Laplacian 0.1729301E-01 (-1/4)Del**2(Rho)) -0.4323252E-02 Diamond 0.1428358E-03 Metallicity 0.4673806E+00 Ellipticity -0.7518018E+00 Gb(Abramov) 0.3218936E-02 Vb(Abramov) -0.2114619E-02 Hb(Abramov) 0.1104317E-02 Ex_ueg -0.5294125E-03 Ec_ueg -0.1203657E-03 Delta_ex -0.6226008E-03 Delta_ec 0.1593329E-03 Delta_et -0.9892616E-03 Pxc 0.4398368E+01 Qxc -0.3907548E+01 3,+3 71 3 -1 -3.216590 2.266480 2.341223 Rho 0.2144082E+00 |GRAD(Rho)| 0.3562218E-13 GRAD(Rho)x 0.1840433E-14 GRAD(Rho)y 0.3448812E-13 GRAD(Rho)z 0.8724792E-14 Laplacian 0.7955390E+00 (-1/4)Del**2(Rho)) -0.1988847E+00 Diamond 0.2458836E+01 Metallicity 0.6653048E+01 Ellipticity 0.3033596E-02 Gb(Abramov) 0.3531214E+00 Vb(Abramov) -0.5073581E+00 Hb(Abramov) -0.1542367E+00 Ex_ueg -0.9477785E-01 Ec_ueg -0.1268799E-01 Delta_ex -0.9335913E-01 Delta_ec 0.1818015E-01 Delta_et -0.2505396E+00 Pxc 0.7469885E+01 Qxc -0.5135224E+01 3,-1 72 3 -1 -2.301353 -3.068484 1.824431 Rho 0.1923425E+00 |GRAD(Rho)| 0.3225959E-13 GRAD(Rho)x 0.2577365E-13 GRAD(Rho)y -0.9880226E-14 GRAD(Rho)z -0.1669673E-13 Laplacian 0.7400239E+00 (-1/4)Del**2(Rho)) -0.1850060E+00 Diamond 0.2020026E+01 Metallicity 0.5967962E+01 Ellipticity 0.6631802E-02 Gb(Abramov) 0.3073554E+00 Vb(Abramov) -0.4297049E+00 Hb(Abramov) -0.1223495E+00 Ex_ueg -0.8200091E-01 Ec_ueg -0.1120722E-01 Delta_ex -0.8455372E-01 Delta_ec 0.1758815E-01 Delta_et -0.2409274E+00 Pxc 0.7316796E+01 Qxc -0.4807426E+01 3,-1 73 3 -1 -2.322601 -3.012132 -1.821059 Rho 0.1874749E+00 |GRAD(Rho)| 0.2464189E-15 GRAD(Rho)x -0.2748453E-16 GRAD(Rho)y 0.2403676E-15 GRAD(Rho)z -0.4680026E-16 Laplacian 0.7392349E+00 (-1/4)Del**2(Rho)) -0.1848087E+00 Diamond 0.1949257E+01 Metallicity 0.5724479E+01 Ellipticity 0.6300329E-02 Gb(Abramov) 0.2995281E+00 Vb(Abramov) -0.4142474E+00 Hb(Abramov) -0.1147194E+00 Ex_ueg -0.7924573E-01 Ec_ueg -0.1088424E-01 Delta_ex -0.8386168E-01 Delta_ec 0.1759253E-01 Delta_et -0.2400988E+00 Pxc 0.7280781E+01 Qxc -0.4766893E+01 3,-1 74 3 -1 -0.161162 -3.605746 -1.769434 Rho 0.2545630E-02 |GRAD(Rho)| 0.1217782E-11 GRAD(Rho)x 0.5309760E-13 GRAD(Rho)y 0.1176199E-11 GRAD(Rho)z -0.3110136E-12 Laplacian 0.7609261E-02 (-1/4)Del**2(Rho)) -0.1902315E-02 Diamond 0.1060308E-03 Metallicity 0.4297964E+00 Ellipticity 0.1233732E+00 Gb(Abramov) 0.1404478E-02 Vb(Abramov) -0.9066411E-03 Hb(Abramov) 0.4978370E-03 Ex_ueg -0.2567115E-03 Ec_ueg -0.4287025E-04 Delta_ex -0.4127047E-03 Delta_ec 0.3794783E-03 Delta_et -0.1622359E-02 Pxc 0.5988104E+01 Qxc -0.1087558E+01 3,-1 75 3 -1 -1.915686 -1.699374 -2.437033 Rho 0.1026995E+00 |GRAD(Rho)| 0.1677883E-15 GRAD(Rho)x 0.5315301E-16 GRAD(Rho)y 0.2898886E-16 GRAD(Rho)z -0.1564843E-15 Laplacian 0.4361254E+00 (-1/4)Del**2(Rho)) -0.1090314E+00 Diamond 0.5812065E+00 Metallicity 0.3558627E+01 Ellipticity 0.2188871E-01 Gb(Abramov) 0.1373546E+00 Vb(Abramov) -0.1656778E+00 Hb(Abramov) -0.2832320E-01 Ex_ueg -0.3552027E-01 Ec_ueg -0.5488868E-02 Delta_ex -0.4311445E-01 Delta_ec 0.1271105E-01 Delta_et -0.1595216E+00 Pxc 0.6471330E+01 Qxc -0.3391887E+01 3,-1 76 3 -1 -1.857423 -1.757770 -0.874102 Rho 0.3840062E-01 |GRAD(Rho)| 0.2099808E-13 GRAD(Rho)x -0.1330853E-13 GRAD(Rho)y -0.8446840E-14 GRAD(Rho)z -0.1387276E-13 Laplacian 0.1609222E+00 (-1/4)Del**2(Rho)) -0.4023055E-01 Diamond 0.6292140E-01 Metallicity 0.1871662E+01 Ellipticity 0.4222367E-01 Gb(Abramov) 0.3937004E-01 Vb(Abramov) -0.3850952E-01 Hb(Abramov) 0.8605165E-03 Ex_ueg -0.9568326E-02 Ec_ueg -0.1784527E-02 Delta_ex -0.1276632E-01 Delta_ec 0.5453839E-02 Delta_et -0.5366443E-01 Pxc 0.5361826E+01 Qxc -0.2340796E+01 3,-1 77 3 -1 -1.865445 -1.714788 2.391127 Rho 0.1056165E+00 |GRAD(Rho)| 0.4407639E-12 GRAD(Rho)x 0.2200416E-12 GRAD(Rho)y 0.3677870E-12 GRAD(Rho)z 0.1028940E-12 Laplacian 0.4503637E+00 (-1/4)Del**2(Rho)) -0.1125909E+00 Diamond 0.6206771E+00 Metallicity 0.3610796E+01 Ellipticity 0.1483419E-01 Gb(Abramov) 0.1428178E+00 Vb(Abramov) -0.1730446E+00 Hb(Abramov) -0.3022684E-01 Ex_ueg -0.3687179E-01 Ec_ueg -0.5666520E-02 Delta_ex -0.4480946E-01 Delta_ec 0.1304269E-01 Delta_et -0.1646054E+00 Pxc 0.6506956E+01 Qxc -0.3435600E+01 3,-1 78 3 +1 0.192671 2.050699 -2.258388 Rho 0.5573043E-02 |GRAD(Rho)| 0.3723935E-11 GRAD(Rho)x -0.3717048E-11 GRAD(Rho)y 0.2166116E-12 GRAD(Rho)z -0.6574702E-13 Laplacian 0.2212547E-01 (-1/4)Del**2(Rho)) -0.5531368E-02 Diamond 0.5441050E-03 Metallicity 0.5456003E+00 Ellipticity -0.2489022E+01 Gb(Abramov) 0.4190565E-02 Vb(Abramov) -0.2849761E-02 Hb(Abramov) 0.1340803E-02 Ex_ueg -0.7297513E-03 Ec_ueg -0.1716559E-03 Delta_ex -0.1081001E-02 Delta_ec 0.6208008E-03 Delta_et -0.3513288E-02 Pxc 0.4251245E+01 Qxc -0.1741301E+01 3,+1 79 3 +1 -1.804794 0.010858 2.484932 Rho 0.1054116E-01 |GRAD(Rho)| 0.1310538E-16 GRAD(Rho)x -0.7681419E-17 GRAD(Rho)y 0.1050771E-16 GRAD(Rho)z -0.1528043E-17 Laplacian 0.4821542E-01 (-1/4)Del**2(Rho)) -0.1205385E-01 Diamond 0.1618151E-02 Metallicity 0.7242827E+00 Ellipticity -0.1308359E+01 Gb(Abramov) 0.9490969E-02 Vb(Abramov) -0.6928084E-02 Hb(Abramov) 0.2562885E-02 Ex_ueg -0.1707011E-02 Ec_ueg -0.3926498E-03 Delta_ex -0.2290914E-02 Delta_ec 0.6261453E-03 Delta_et -0.4547413E-02 Pxc 0.4347414E+01 Qxc -0.3658757E+01 3,+1 80 3 +1 -2.194674 1.786106 -0.256787 Rho 0.2476108E-01 |GRAD(Rho)| 0.1233947E-14 GRAD(Rho)x -0.1496219E-16 GRAD(Rho)y -0.8928837E-15 GRAD(Rho)z 0.8515637E-15 Laplacian 0.9203983E-01 (-1/4)Del**2(Rho)) -0.2300996E-01 Diamond 0.1038061E-01 Metallicity 0.1574901E+01 Ellipticity -0.2522179E+01 Gb(Abramov) 0.2137971E-01 Vb(Abramov) -0.1974945E-01 Hb(Abramov) 0.1630251E-02 Ex_ueg -0.5330212E-02 Ec_ueg -0.1076692E-02 Delta_ex -0.5544812E-02 Delta_ec 0.1267418E-02 Delta_et -0.1123174E-01 Pxc 0.4950543E+01 Qxc -0.4374888E+01 3,+1 81 3 -1 -1.820877 1.618438 2.364223 Rho 0.1450246E+00 |GRAD(Rho)| 0.2734436E-15 GRAD(Rho)x 0.1336008E-15 GRAD(Rho)y -0.2942254E-16 GRAD(Rho)z -0.2367626E-15 Laplacian 0.5913876E+00 (-1/4)Del**2(Rho)) -0.1478469E+00 Diamond 0.1148934E+01 Metallicity 0.4664559E+01 Ellipticity 0.1145116E-01 Gb(Abramov) 0.2135047E+00 Vb(Abramov) -0.2791625E+00 Hb(Abramov) -0.6565780E-01 Ex_ueg -0.5627396E-01 Ec_ueg -0.8125784E-02 Delta_ex -0.6296611E-01 Delta_ec 0.1509465E-01 Delta_et -0.1999007E+00 Pxc 0.6925357E+01 Qxc -0.4171420E+01 3,-1 82 3 -1 -1.805057 1.601517 -2.428347 Rho 0.1338532E+00 |GRAD(Rho)| 0.7466691E-14 GRAD(Rho)x 0.1158551E-14 GRAD(Rho)y 0.6470180E-14 GRAD(Rho)z 0.3542034E-14 Laplacian 0.5587570E+00 (-1/4)Del**2(Rho)) -0.1396892E+00 Diamond 0.1010898E+01 Metallicity 0.4319547E+01 Ellipticity 0.1529692E-01 Gb(Abramov) 0.1936919E+00 Vb(Abramov) -0.2476945E+00 Hb(Abramov) -0.5400264E-01 Ex_ueg -0.5056967E-01 Ec_ueg -0.7418044E-02 Delta_ex -0.5863193E-01 Delta_ec 0.1506085E-01 Delta_et -0.1980671E+00 Pxc 0.6817117E+01 Qxc -0.3893003E+01 3,-1 83 3 +1 2.112943 0.055833 2.901342 Rho 0.1158063E-01 |GRAD(Rho)| 0.2479314E-16 GRAD(Rho)x -0.1701575E-17 GRAD(Rho)y -0.2460727E-16 GRAD(Rho)z 0.2507307E-17 Laplacian 0.5181648E-01 (-1/4)Del**2(Rho)) -0.1295412E-01 Diamond 0.1619028E-02 Metallicity 0.7883139E+00 Ellipticity -0.1171569E+01 Gb(Abramov) 0.1033806E-01 Vb(Abramov) -0.7722010E-02 Hb(Abramov) 0.2616054E-02 Ex_ueg -0.1935062E-02 Ec_ueg -0.4402444E-03 Delta_ex -0.2414644E-02 Delta_ec 0.4786635E-03 Delta_et -0.3709817E-02 Pxc 0.4395427E+01 Qxc -0.5044554E+01 3,+1 84 3 -1 -1.753863 1.584176 0.854543 Rho 0.4563732E-01 |GRAD(Rho)| 0.1766483E-15 GRAD(Rho)x 0.1233437E-15 GRAD(Rho)y -0.2462155E-16 GRAD(Rho)z -0.1240353E-15 Laplacian 0.1770332E+00 (-1/4)Del**2(Rho)) -0.4425831E-01 Diamond 0.7839901E-01 Metallicity 0.2268604E+01 Ellipticity 0.1832753E-01 Gb(Abramov) 0.4623963E-01 Vb(Abramov) -0.4822095E-01 Hb(Abramov) -0.1981323E-02 Ex_ueg -0.1204514E-01 Ec_ueg -0.2175179E-02 Delta_ex -0.1419968E-01 Delta_ec 0.5202909E-02 Delta_et -0.5354634E-01 Pxc 0.5537540E+01 Qxc -0.2729181E+01 3,-1 85 3 +1 -0.529370 0.759789 1.575776 Rho 0.8226196E-02 |GRAD(Rho)| 0.2083913E-13 GRAD(Rho)x 0.5932262E-14 GRAD(Rho)y -0.1219231E-14 GRAD(Rho)z -0.1993969E-13 Laplacian 0.3130511E-01 (-1/4)Del**2(Rho)) -0.7826277E-02 Diamond 0.7553754E-03 Metallicity 0.7378981E+00 Ellipticity -0.1406623E+01 Gb(Abramov) 0.6180017E-02 Vb(Abramov) -0.4533757E-02 Hb(Abramov) 0.1646260E-02 Ex_ueg -0.1226452E-02 Ec_ueg -0.2882863E-03 Delta_ex -0.1398314E-02 Delta_ec 0.4121987E-03 Delta_et -0.2808614E-02 Pxc 0.4254285E+01 Qxc -0.3392331E+01 3,+1 86 3 -1 -3.116762 -2.205838 0.826372 Rho 0.1260972E+00 |GRAD(Rho)| 0.4521852E-12 GRAD(Rho)x -0.2086507E-12 GRAD(Rho)y -0.3941653E-13 GRAD(Rho)z -0.3992276E-12 Laplacian 0.5047258E+00 (-1/4)Del**2(Rho)) -0.1261814E+00 Diamond 0.8502848E+00 Metallicity 0.4329122E+01 Ellipticity 0.3139935E-01 Gb(Abramov) 0.1751634E+00 Vb(Abramov) -0.2241454E+00 Hb(Abramov) -0.4898200E-01 Ex_ueg -0.4670092E-01 Ec_ueg -0.6931441E-02 Delta_ex -0.5221536E-01 Delta_ec 0.1380462E-01 Delta_et -0.1797363E+00 Pxc 0.6737548E+01 Qxc -0.3782454E+01 3,-1 87 3 +1 -1.276370 2.388389 0.732543 Rho 0.2490656E-01 |GRAD(Rho)| 0.1190321E-11 GRAD(Rho)x -0.4171231E-12 GRAD(Rho)y 0.1026430E-11 GRAD(Rho)z 0.4351007E-12 Laplacian 0.9690845E-01 (-1/4)Del**2(Rho)) -0.2422711E-01 Diamond 0.1290686E-01 Metallicity 0.1510455E+01 Ellipticity -0.4210435E+01 Gb(Abramov) 0.2225040E-01 Vb(Abramov) -0.2027369E-01 Hb(Abramov) 0.1976709E-02 Ex_ueg -0.5372010E-02 Ec_ueg -0.1084011E-02 Delta_ex -0.6053625E-02 Delta_ec 0.1702432E-02 Delta_et -0.1500033E-01 Pxc 0.4955679E+01 Qxc -0.3555868E+01 3,+1 88 3 +1 -0.172781 2.298881 1.989924 Rho 0.6025294E-02 |GRAD(Rho)| 0.4555792E-13 GRAD(Rho)x 0.4506333E-13 GRAD(Rho)y -0.5275660E-14 GRAD(Rho)z -0.4121639E-14 Laplacian 0.2481559E-01 (-1/4)Del**2(Rho)) -0.6203897E-02 Diamond 0.6822997E-03 Metallicity 0.5540118E+00 Ellipticity -0.2510714E+01 Gb(Abramov) 0.4708770E-02 Vb(Abramov) -0.3213643E-02 Hb(Abramov) 0.1495127E-02 Ex_ueg -0.8097595E-03 Ec_ueg -0.1912988E-03 Delta_ex -0.1235178E-02 Delta_ec 0.7019952E-03 Delta_et -0.4062947E-02 Pxc 0.4232957E+01 Qxc -0.1759524E+01 3,+1 89 3 +1 -0.563803 0.766711 -1.590710 Rho 0.7830984E-02 |GRAD(Rho)| 0.8414263E-11 GRAD(Rho)x -0.7393647E-11 GRAD(Rho)y 0.3995847E-11 GRAD(Rho)z -0.4086787E-12 Laplacian 0.2867506E-01 (-1/4)Del**2(Rho)) -0.7168765E-02 Diamond 0.6390854E-03 Metallicity 0.7421120E+00 Ellipticity -0.1415289E+01 Gb(Abramov) 0.5665847E-02 Vb(Abramov) -0.4162930E-02 Hb(Abramov) 0.1502917E-02 Ex_ueg -0.1148524E-02 Ec_ueg -0.2707047E-03 Delta_ex -0.1260847E-02 Delta_ec 0.3703439E-03 Delta_et -0.2498532E-02 Pxc 0.4242721E+01 Qxc -0.3404529E+01 3,+1 90 3 +1 2.227640 -0.212973 1.744054 Rho 0.2249106E-01 |GRAD(Rho)| 0.6237199E-15 GRAD(Rho)x 0.3087935E-15 GRAD(Rho)y -0.5263867E-15 GRAD(Rho)z 0.1288027E-15 Laplacian 0.8561748E-01 (-1/4)Del**2(Rho)) -0.2140437E-01 Diamond 0.9381345E-02 Metallicity 0.1442338E+01 Ellipticity -0.3000500E+01 Gb(Abramov) 0.1941497E-01 Vb(Abramov) -0.1742557E-01 Hb(Abramov) 0.1989399E-02 Ex_ueg -0.4688834E-02 Ec_ueg -0.9632417E-03 Delta_ex -0.5139636E-02 Delta_ec 0.1385894E-02 Delta_et -0.1193890E-01 Pxc 0.4867765E+01 Qxc -0.3708535E+01 3,+1 91 3 +1 2.260107 -0.351027 -1.750434 Rho 0.1908949E-01 |GRAD(Rho)| 0.2508262E-13 GRAD(Rho)x -0.3464611E-14 GRAD(Rho)y -0.2454762E-13 GRAD(Rho)z -0.3814211E-14 Laplacian 0.6888438E-01 (-1/4)Del**2(Rho)) -0.1722110E-01 Diamond 0.5000307E-02 Metallicity 0.1364006E+01 Ellipticity -0.1915928E+01 Gb(Abramov) 0.1539568E-01 Vb(Abramov) -0.1357026E-01 Hb(Abramov) 0.1825419E-02 Ex_ueg -0.3767999E-02 Ec_ueg -0.7960004E-03 Delta_ex -0.3799627E-02 Delta_ec 0.8306974E-03 Delta_et -0.6989993E-02 Pxc 0.4733665E+01 Qxc -0.4574021E+01 3,+1 92 3 +1 -0.171562 2.291361 -1.994378 Rho 0.5597210E-02 |GRAD(Rho)| 0.2282136E-13 GRAD(Rho)x -0.2241733E-13 GRAD(Rho)y -0.4103720E-14 GRAD(Rho)z -0.1198892E-14 Laplacian 0.2224332E-01 (-1/4)Del**2(Rho)) -0.5560830E-02 Diamond 0.5596052E-03 Metallicity 0.5466377E+00 Ellipticity -0.2763096E+01 Gb(Abramov) 0.4213846E-02 Vb(Abramov) -0.2866863E-02 Hb(Abramov) 0.1346983E-02 Ex_ueg -0.7339738E-03 Ec_ueg -0.1727030E-03 Delta_ex -0.1095232E-02 Delta_ec 0.6375232E-03 Delta_et -0.3606545E-02 Pxc 0.4249918E+01 Qxc -0.1717949E+01 3,+1 93 3 -1 -0.566440 0.705212 -3.289896 Rho 0.1218168E+00 |GRAD(Rho)| 0.9105775E-13 GRAD(Rho)x 0.2214960E-13 GRAD(Rho)y 0.8802156E-13 GRAD(Rho)z -0.7287899E-14 Laplacian 0.5111069E+00 (-1/4)Del**2(Rho)) -0.1277767E+00 Diamond 0.8274155E+00 Metallicity 0.4035959E+01 Ellipticity 0.1568291E-01 Gb(Abramov) 0.1711348E+00 Vb(Abramov) -0.2144928E+00 Hb(Abramov) -0.4335804E-01 Ex_ueg -0.4459930E-01 Ec_ueg -0.6664629E-02 Delta_ex -0.5246148E-01 Delta_ec 0.1412443E-01 Delta_et -0.1828395E+00 Pxc 0.6691940E+01 Qxc -0.3714237E+01 3,-1 94 3 +3 1.090666 1.496218 0.005153 Rho 0.4089065E-02 |GRAD(Rho)| 0.4492355E-16 GRAD(Rho)x -0.2970791E-16 GRAD(Rho)y -0.4196301E-17 GRAD(Rho)z -0.3343586E-16 Laplacian 0.1620880E-01 (-1/4)Del**2(Rho)) -0.4052201E-02 Diamond 0.9783517E-04 Metallicity 0.4445312E+00 Ellipticity -0.1088175E+00 Gb(Abramov) 0.3001689E-02 Vb(Abramov) -0.1951177E-02 Hb(Abramov) 0.1050512E-02 Ex_ueg -0.4829295E-03 Ec_ueg -0.1079247E-03 Delta_ex -0.5441873E-03 Delta_ec 0.9709957E-04 Delta_et -0.6663465E-03 Pxc 0.4474691E+01 Qxc -0.5604426E+01 3,+3 95 3 -1 -0.572224 0.725862 3.224150 Rho 0.1176919E+00 |GRAD(Rho)| 0.1081248E-12 GRAD(Rho)x 0.9245949E-13 GRAD(Rho)y 0.2436075E-13 GRAD(Rho)z 0.5048530E-13 Laplacian 0.5002419E+00 (-1/4)Del**2(Rho)) -0.1250605E+00 Diamond 0.7806012E+00 Metallicity 0.3893535E+01 Ellipticity 0.1411494E-01 Gb(Abramov) 0.1645282E+00 Vb(Abramov) -0.2039959E+00 Hb(Abramov) -0.3946773E-01 Ex_ueg -0.4259715E-01 Ec_ueg -0.6408703E-02 Delta_ex -0.5097974E-01 Delta_ec 0.1402340E-01 Delta_et -0.1805403E+00 Pxc 0.6646765E+01 Qxc -0.3635334E+01 3,-1 96 3 -1 -0.518501 0.580158 0.002830 Rho 0.1678920E+00 |GRAD(Rho)| 0.3187052E-13 GRAD(Rho)x 0.1678692E-13 GRAD(Rho)y -0.2708944E-13 GRAD(Rho)z -0.3023298E-15 Laplacian 0.4065266E+00 (-1/4)Del**2(Rho)) -0.1016316E+00 Diamond 0.9635507E+00 Metallicity 0.8661125E+01 Ellipticity 0.6845789E-02 Gb(Abramov) 0.2144618E+00 Vb(Abramov) -0.3272920E+00 Hb(Abramov) -0.1128302E+00 Ex_ueg -0.6840562E-01 Ec_ueg -0.9598533E-02 Delta_ex -0.4506688E-01 Delta_ec 0.1033617E-01 Delta_et -0.1404543E+00 Pxc 0.7126675E+01 Qxc -0.4360116E+01 3,-1 97 3 -1 -0.005611 2.173256 2.104240 Rho 0.6078724E-02 |GRAD(Rho)| 0.1247490E-16 GRAD(Rho)x -0.1039187E-16 GRAD(Rho)y -0.4576371E-17 GRAD(Rho)z 0.5166138E-17 Laplacian 0.2404256E-01 (-1/4)Del**2(Rho)) -0.6010641E-02 Diamond 0.8336543E-03 Metallicity 0.5803006E+00 Ellipticity 0.2060736E+01 Gb(Abramov) 0.4588424E-02 Vb(Abramov) -0.3166207E-02 Hb(Abramov) 0.1422217E-02 Ex_ueg -0.8193477E-03 Ec_ueg -0.1936260E-03 Delta_ex -0.1316740E-02 Delta_ec 0.8905632E-03 Delta_et -0.5075604E-02 Pxc 0.4231599E+01 Qxc -0.1478547E+01 3,-1 98 3 +1 1.677639 0.723691 -0.010767 Rho 0.6618400E-02 |GRAD(Rho)| 0.1074905E-10 GRAD(Rho)x 0.7856837E-11 GRAD(Rho)y 0.7311733E-11 GRAD(Rho)z 0.5922798E-12 Laplacian 0.2576688E-01 (-1/4)Del**2(Rho)) -0.6441720E-02 Diamond 0.5080026E-03 Metallicity 0.6239355E+00 Ellipticity -0.1399488E+01 Gb(Abramov) 0.4964350E-02 Vb(Abramov) -0.3486979E-02 Hb(Abramov) 0.1477370E-02 Ex_ueg -0.9177458E-03 Ec_ueg -0.2172105E-03 Delta_ex -0.1118560E-02 Delta_ec 0.3912494E-03 Delta_et -0.2473740E-02 Pxc 0.4225145E+01 Qxc -0.2858945E+01 3,+1 99 3 +1 0.542852 1.499425 -0.847142 Rho 0.7056573E-02 |GRAD(Rho)| 0.3925149E-15 GRAD(Rho)x -0.3435957E-15 GRAD(Rho)y -0.6912277E-16 GRAD(Rho)z 0.1767256E-15 Laplacian 0.2755413E-01 (-1/4)Del**2(Rho)) -0.6888532E-02 Diamond 0.5819139E-03 Metallicity 0.6492564E+00 Ellipticity -0.1402316E+01 Gb(Abramov) 0.5337759E-02 Vb(Abramov) -0.3786985E-02 Hb(Abramov) 0.1550773E-02 Ex_ueg -0.9996398E-03 Ec_ueg -0.2364615E-03 Delta_ex -0.1208737E-02 Delta_ec 0.4071714E-03 Delta_et -0.2627500E-02 Pxc 0.4227494E+01 Qxc -0.2968619E+01 3,+1 100 3 -1 -0.586930 -0.793353 0.002690 Rho 0.1881989E+00 |GRAD(Rho)| 0.4690272E-15 GRAD(Rho)x 0.3191891E-15 GRAD(Rho)y 0.3434752E-15 GRAD(Rho)z -0.1138412E-16 Laplacian 0.4943456E+00 (-1/4)Del**2(Rho)) -0.1235864E+00 Diamond 0.1312803E+01 Metallicity 0.8615442E+01 Ellipticity 0.2440524E-01 Gb(Abramov) 0.2598495E+00 Vb(Abramov) -0.3961126E+00 Hb(Abramov) -0.1362631E+00 Ex_ueg -0.7965404E-01 Ec_ueg -0.1093219E-01 Delta_ex -0.5615909E-01 Delta_ec 0.1179495E-01 Delta_et -0.1611691E+00 Pxc 0.7286192E+01 Qxc -0.4761283E+01 3,-1 101 3 -1 -0.621761 -0.749941 -3.294071 Rho 0.1489814E+00 |GRAD(Rho)| 0.3165402E-15 GRAD(Rho)x 0.1830946E-15 GRAD(Rho)y 0.2305285E-15 GRAD(Rho)z -0.1163213E-15 Laplacian 0.6235422E+00 (-1/4)Del**2(Rho)) -0.1558856E+00 Diamond 0.1267446E+01 Metallicity 0.4627013E+01 Ellipticity 0.1496488E-01 Gb(Abramov) 0.2241378E+00 Vb(Abramov) -0.2923900E+00 Hb(Abramov) -0.6825223E-01 Ex_ueg -0.5833033E-01 Ec_ueg -0.8378341E-02 Delta_ex -0.6699265E-01 Delta_ec 0.1610119E-01 Delta_et -0.2147142E+00 Pxc 0.6962039E+01 Qxc -0.4160726E+01 3,-1 102 3 -1 0.862099 0.723249 -3.525310 Rho 0.8498086E-01 |GRAD(Rho)| 0.2657589E-11 GRAD(Rho)x 0.1665031E-11 GRAD(Rho)y 0.8305143E-12 GRAD(Rho)z 0.1897551E-11 Laplacian 0.3538042E+00 (-1/4)Del**2(Rho)) -0.8845105E-01 Diamond 0.3736896E+00 Metallicity 0.3199279E+01 Ellipticity 0.3580971E-02 Gb(Abramov) 0.1061306E+00 Vb(Abramov) -0.1238102E+00 Hb(Abramov) -0.1767958E-01 Ex_ueg -0.2759391E-01 Ec_ueg -0.4424618E-02 Delta_ex -0.3347013E-01 Delta_ec 0.1068053E-01 Delta_et -0.1286789E+00 Pxc 0.6236450E+01 Qxc -0.3133751E+01 3,-1 103 3 -1 -0.593019 -0.723650 3.239964 Rho 0.1472910E+00 |GRAD(Rho)| 0.2056154E-13 GRAD(Rho)x 0.4447235E-14 GRAD(Rho)y -0.1991281E-13 GRAD(Rho)z 0.2545395E-14 Laplacian 0.6227964E+00 (-1/4)Del**2(Rho)) -0.1556991E+00 Diamond 0.1248240E+01 Metallicity 0.4545279E+01 Ellipticity 0.1271135E-01 Gb(Abramov) 0.2217487E+00 Vb(Abramov) -0.2877983E+00 Hb(Abramov) -0.6604961E-01 Ex_ueg -0.5744953E-01 Ec_ueg -0.8270322E-02 Delta_ex -0.6672134E-01 Delta_ec 0.1611877E-01 Delta_et -0.2145746E+00 Pxc 0.6946468E+01 Qxc -0.4139357E+01 3,-1 104 3 -1 0.863552 0.748085 3.505650 Rho 0.9544170E-01 |GRAD(Rho)| 0.4876705E-14 GRAD(Rho)x -0.4391148E-14 GRAD(Rho)y 0.1480749E-14 GRAD(Rho)z -0.1519032E-14 Laplacian 0.3964680E+00 (-1/4)Del**2(Rho)) -0.9911700E-01 Diamond 0.4801554E+00 Metallicity 0.3464458E+01 Ellipticity 0.9949409E-02 Gb(Abramov) 0.1233091E+00 Vb(Abramov) -0.1475012E+00 Hb(Abramov) -0.2419211E-01 Ex_ueg -0.3221335E-01 Ec_ueg -0.5049763E-02 Delta_ex -0.3847656E-01 Delta_ec 0.1162583E-01 Delta_et -0.1435810E+00 Pxc 0.6379181E+01 Qxc -0.3309576E+01 3,-1 105 3 +3 0.063857 1.567204 1.605499 Rho 0.4444704E-02 |GRAD(Rho)| 0.2215158E-17 GRAD(Rho)x 0.1433684E-17 GRAD(Rho)y 0.1421977E-17 GRAD(Rho)z -0.9107447E-18 Laplacian 0.1810978E-01 (-1/4)Del**2(Rho)) -0.4527445E-02 Diamond 0.1309905E-03 Metallicity 0.4571984E+00 Ellipticity -0.2842185E+00 Gb(Abramov) 0.3363287E-02 Vb(Abramov) -0.2199129E-02 Hb(Abramov) 0.1164158E-02 Ex_ueg -0.5397287E-03 Ec_ueg -0.1230950E-03 Delta_ex -0.6309951E-03 Delta_ec 0.1250438E-03 Delta_et -0.8375063E-03 Pxc 0.4384653E+01 Qxc -0.5046191E+01 3,+3 106 3 +3 -1.875789 2.743132 -0.009470 Rho 0.1172032E-01 |GRAD(Rho)| 0.7046871E-17 GRAD(Rho)x 0.1172426E-17 GRAD(Rho)y 0.2383121E-17 GRAD(Rho)z -0.6527215E-17 Laplacian 0.5175186E-01 (-1/4)Del**2(Rho)) -0.1293796E-01 Diamond 0.1101912E-02 Metallicity 0.8052294E+00 Ellipticity -0.6288413E+00 Gb(Abramov) 0.1036165E-01 Vb(Abramov) -0.7785331E-02 Hb(Abramov) 0.2576317E-02 Ex_ueg -0.1966245E-02 Ec_ueg -0.4466734E-03 Delta_ex -0.2257952E-02 Delta_ec 0.1894634E-03 Delta_et -0.1787687E-02 Pxc 0.4401975E+01 Qxc -0.1191761E+02 3,+3 107 3 -1 -0.535111 2.459366 0.007755 Rho 0.4075209E-01 |GRAD(Rho)| 0.7739517E-16 GRAD(Rho)x 0.2769025E-16 GRAD(Rho)y 0.7210029E-16 GRAD(Rho)z -0.4981026E-17 Laplacian 0.1581888E+00 (-1/4)Del**2(Rho)) -0.3954720E-01 Diamond 0.5977033E-01 Metallicity 0.2102264E+01 Ellipticity 0.1857414E-01 Gb(Abramov) 0.4022124E-01 Vb(Abramov) -0.4089528E-01 Hb(Abramov) -0.6740426E-03 Ex_ueg -0.1035742E-01 Ec_ueg -0.1910452E-02 Delta_ex -0.1231808E-01 Delta_ec 0.4623751E-02 Delta_et -0.4617088E-01 Pxc 0.5421449E+01 Qxc -0.2664088E+01 3,-1 108 3 +1 0.210982 2.025217 2.268541 Rho 0.5972270E-02 |GRAD(Rho)| 0.1614969E-16 GRAD(Rho)x 0.3320082E-17 GRAD(Rho)y 0.1115456E-16 GRAD(Rho)z -0.1119666E-16 Laplacian 0.2420570E-01 (-1/4)Del**2(Rho)) -0.6051426E-02 Diamond 0.6279499E-03 Metallicity 0.5596645E+00 Ellipticity -0.2198350E+01 Gb(Abramov) 0.4598746E-02 Vb(Abramov) -0.3146065E-02 Hb(Abramov) 0.1452681E-02 Ex_ueg -0.8002719E-03 Ec_ueg -0.1889905E-03 Delta_ex -0.1180872E-02 Delta_ec 0.6458858E-03 Delta_et -0.3745519E-02 Pxc 0.4234455E+01 Qxc -0.1828299E+01 3,+1 109 3 -1 0.495115 -0.092664 -2.444124 Rho 0.4656053E-01 |GRAD(Rho)| 0.1541779E-13 GRAD(Rho)x -0.5335746E-14 GRAD(Rho)y -0.9428336E-14 GRAD(Rho)z 0.1097017E-13 Laplacian 0.1955532E+00 (-1/4)Del**2(Rho)) -0.4888831E-01 Diamond 0.9689744E-01 Metallicity 0.2123463E+01 Ellipticity 0.1991536E-01 Gb(Abramov) 0.4989429E-01 Vb(Abramov) -0.5090027E-01 Hb(Abramov) -0.1005981E-02 Ex_ueg -0.1237112E-01 Ec_ueg -0.2225653E-02 Delta_ex -0.1613893E-01 Delta_ec 0.6415389E-02 Delta_et -0.6652712E-01 Pxc 0.5558420E+01 Qxc -0.2515659E+01 3,-1 110 3 -1 -0.005135 2.177391 -2.110974 Rho 0.5636334E-02 |GRAD(Rho)| 0.1024838E-16 GRAD(Rho)x 0.9424405E-17 GRAD(Rho)y 0.2996828E-17 GRAD(Rho)z 0.2688667E-17 Laplacian 0.2180788E-01 (-1/4)Del**2(Rho)) -0.5451971E-02 Diamond 0.6738653E-03 Metallicity 0.5640628E+00 Ellipticity 0.2615668E+01 Gb(Abramov) 0.4147190E-02 Vb(Abramov) -0.2842408E-02 Hb(Abramov) 0.1304781E-02 Ex_ueg -0.7408222E-03 Ec_ueg -0.1743988E-03 Delta_ex -0.1170323E-02 Delta_ec 0.7946829E-03 Delta_et -0.4430694E-02 Pxc 0.4247863E+01 Qxc -0.1472692E+01 3,-1 111 3 +1 1.115532 0.576474 -2.502081 Rho 0.2284743E-01 |GRAD(Rho)| 0.1157378E-15 GRAD(Rho)x -0.3028131E-16 GRAD(Rho)y -0.3852471E-16 GRAD(Rho)z -0.1048528E-15 Laplacian 0.8529729E-01 (-1/4)Del**2(Rho)) -0.2132432E-01 Diamond 0.9886088E-02 Metallicity 0.1486187E+01 Ellipticity -0.3848286E+01 Gb(Abramov) 0.1949820E-01 Vb(Abramov) -0.1767209E-01 Hb(Abramov) 0.1826118E-02 Ex_ueg -0.4788155E-02 Ec_ueg -0.9809584E-03 Delta_ex -0.5183039E-02 Delta_ec 0.1454027E-02 Delta_et -0.1255154E-01 Pxc 0.4881099E+01 Qxc -0.3564611E+01 3,+1 112 3 +1 -2.027510 2.993970 0.001704 Rho 0.1200049E-01 |GRAD(Rho)| 0.3685920E-16 GRAD(Rho)x -0.1511225E-16 GRAD(Rho)y -0.1306006E-16 GRAD(Rho)z -0.3097830E-16 Laplacian 0.5410609E-01 (-1/4)Del**2(Rho)) -0.1352652E-01 Diamond 0.1784528E-02 Metallicity 0.8011218E+00 Ellipticity -0.1183016E+01 Gb(Abramov) 0.1082375E-01 Vb(Abramov) -0.8120971E-02 Hb(Abramov) 0.2702775E-02 Ex_ueg -0.2029163E-02 Ec_ueg -0.4595915E-03 Delta_ex -0.2548726E-02 Delta_ec 0.5043745E-03 Delta_et -0.3934100E-02 Pxc 0.4415144E+01 Qxc -0.5053241E+01 3,+1 113 3 +1 0.537994 1.501260 0.861770 Rho 0.7068211E-02 |GRAD(Rho)| 0.1068313E-16 GRAD(Rho)x 0.8648872E-18 GRAD(Rho)y -0.1063861E-16 GRAD(Rho)z -0.4485470E-18 Laplacian 0.2774043E-01 (-1/4)Del**2(Rho)) -0.6935107E-02 Diamond 0.5808717E-03 Metallicity 0.6466697E+00 Ellipticity -0.1386758E+01 Gb(Abramov) 0.5370859E-02 Vb(Abramov) -0.3806610E-02 Hb(Abramov) 0.1564248E-02 Ex_ueg -0.1001839E-02 Ec_ueg -0.2369741E-03 Delta_ex -0.1213722E-02 Delta_ec 0.4033523E-03 Delta_et -0.2609338E-02 Pxc 0.4227630E+01 Qxc -0.3009087E+01 3,+1 114 3 -1 -0.206912 -3.507571 1.788607 Rho 0.2670391E-02 |GRAD(Rho)| 0.1738948E-14 GRAD(Rho)x 0.1258518E-14 GRAD(Rho)y 0.1110808E-14 GRAD(Rho)z 0.4540711E-15 Laplacian 0.8578229E-02 (-1/4)Del**2(Rho)) -0.2144557E-02 Diamond 0.1293750E-03 Metallicity 0.4128956E+00 Ellipticity 0.2240695E+00 Gb(Abramov) 0.1577285E-02 Vb(Abramov) -0.1010012E-02 Hb(Abramov) 0.5672727E-03 Ex_ueg -0.2736223E-03 Ec_ueg -0.4808042E-04 Delta_ex -0.4725664E-03 Delta_ec 0.4352310E-03 Delta_et -0.1886977E-02 Pxc 0.5690930E+01 Qxc -0.1085783E+01 3,-1 115 3 +3 0.046603 1.581205 -1.624800 Rho 0.4225071E-02 |GRAD(Rho)| 0.4637710E-15 GRAD(Rho)x -0.1818119E-15 GRAD(Rho)y -0.4771465E-16 GRAD(Rho)z 0.4239709E-15 Laplacian 0.1694233E-01 (-1/4)Del**2(Rho)) -0.4235582E-02 Diamond 0.1169925E-03 Metallicity 0.4491211E+00 Ellipticity -0.3014538E+00 Gb(Abramov) 0.3140770E-02 Vb(Abramov) -0.2045957E-02 Hb(Abramov) 0.1094813E-02 Ex_ueg -0.5044643E-03 Ec_ueg -0.1137184E-03 Delta_ex -0.5855111E-03 Delta_ec 0.1223967E-03 Delta_et -0.8006003E-03 Pxc 0.4436083E+01 Qxc -0.4783717E+01 3,+3 116 3 +1 1.483744 -0.898767 -2.271001 Rho 0.2526576E-01 |GRAD(Rho)| 0.8649710E-16 GRAD(Rho)x -0.2269762E-16 GRAD(Rho)y 0.4881556E-16 GRAD(Rho)z 0.6770235E-16 Laplacian 0.9370261E-01 (-1/4)Del**2(Rho)) -0.2342565E-01 Diamond 0.1114502E-01 Metallicity 0.1599861E+01 Ellipticity -0.2755805E+01 Gb(Abramov) 0.2186340E-01 Vb(Abramov) -0.2030114E-01 Hb(Abramov) 0.1562254E-02 Ex_ueg -0.5475557E-02 Ec_ueg -0.1102104E-02 Delta_ex -0.5706148E-02 Delta_ec 0.1343435E-02 Delta_et -0.1194479E-01 Pxc 0.4968275E+01 Qxc -0.4247432E+01 3,+1 117 3 -1 0.112317 4.583647 0.026799 Rho 0.2189657E+00 |GRAD(Rho)| 0.2330012E-14 GRAD(Rho)x -0.1324353E-15 GRAD(Rho)y -0.2317916E-14 GRAD(Rho)z -0.1966844E-15 Laplacian 0.8057830E+00 (-1/4)Del**2(Rho)) -0.2014458E+00 Diamond 0.2561650E+01 Metallicity 0.6802811E+01 Ellipticity 0.1815698E-02 Gb(Abramov) 0.3626967E+00 Vb(Abramov) -0.5239477E+00 Hb(Abramov) -0.1612510E+00 Ex_ueg -0.9747346E-01 Ec_ueg -0.1299720E-01 Delta_ex -0.9512013E-01 Delta_ec 0.1838390E-01 Delta_et -0.2539808E+00 Pxc 0.7499573E+01 Qxc -0.5174100E+01 3,-1 118 3 +3 2.009862 -0.000190 -2.709540 Rho 0.1050594E-01 |GRAD(Rho)| 0.1668841E-13 GRAD(Rho)x -0.1039067E-13 GRAD(Rho)y -0.8605562E-15 GRAD(Rho)z 0.1303059E-13 Laplacian 0.4432740E-01 (-1/4)Del**2(Rho)) -0.1108185E-01 Diamond 0.8917397E-03 Metallicity 0.7834286E+00 Ellipticity -0.7358764E+00 Gb(Abramov) 0.8834873E-02 Vb(Abramov) -0.6587896E-02 Hb(Abramov) 0.2246977E-02 Ex_ueg -0.1699411E-02 Ec_ueg -0.3910450E-03 Delta_ex -0.1901072E-02 Delta_ec 0.2127380E-03 Delta_et -0.1840767E-02 Pxc 0.4345820E+01 Qxc -0.8936210E+01 3,+3 119 3 +1 1.163238 -0.633659 2.508062 Rho 0.2794297E-01 |GRAD(Rho)| 0.2316780E-16 GRAD(Rho)x 0.2294185E-16 GRAD(Rho)y -0.1203114E-17 GRAD(Rho)z 0.2995207E-17 Laplacian 0.1094733E+00 (-1/4)Del**2(Rho)) -0.2736833E-01 Diamond 0.1735174E-01 Metallicity 0.1619667E+01 Ellipticity -0.6630794E+01 Gb(Abramov) 0.2563349E-01 Vb(Abramov) -0.2389864E-01 Hb(Abramov) 0.1734847E-02 Ex_ueg -0.6262511E-02 Ec_ueg -0.1238000E-02 Delta_ex -0.7076817E-02 Delta_ec 0.1968374E-02 Delta_et -0.1783374E-01 Pxc 0.5058572E+01 Qxc -0.3595260E+01 3,+1 120 3 -1 0.509842 -0.069096 2.417938 Rho 0.5028670E-01 |GRAD(Rho)| 0.5017559E-15 GRAD(Rho)x 0.2205945E-15 GRAD(Rho)y 0.8325963E-16 GRAD(Rho)z 0.4429051E-15 Laplacian 0.2115933E+00 (-1/4)Del**2(Rho)) -0.5289831E-01 Diamond 0.1158220E+00 Metallicity 0.2231173E+01 Ellipticity 0.1318496E-01 Gb(Abramov) 0.5493642E-01 Vb(Abramov) -0.5697453E-01 Hb(Abramov) -0.2038107E-02 Ex_ueg -0.1370848E-01 Ec_ueg -0.2430728E-02 Delta_ex -0.1777218E-01 Delta_ec 0.6894123E-02 Delta_et -0.7297642E-01 Pxc 0.5639660E+01 Qxc -0.2577874E+01 3,-1 121 3 -1 0.923202 -0.698118 3.538754 Rho 0.1155933E+00 |GRAD(Rho)| 0.8325524E-12 GRAD(Rho)x -0.6604558E-12 GRAD(Rho)y 0.5013268E-12 GRAD(Rho)z 0.7492008E-13 Laplacian 0.4719075E+00 (-1/4)Del**2(Rho)) -0.1179769E+00 Diamond 0.7183078E+00 Metallicity 0.4005381E+01 Ellipticity 0.4005232E-01 Gb(Abramov) 0.1574083E+00 Vb(Abramov) -0.1968397E+00 Hb(Abramov) -0.3943143E-01 Ex_ueg -0.4158740E-01 Ec_ueg -0.6278955E-02 Delta_ex -0.4785642E-01 Delta_ec 0.1322513E-01 Delta_et -0.1696084E+00 Pxc 0.6623300E+01 Qxc -0.3618597E+01 3,-1 122 3 -1 0.409824 -0.127357 -0.670715 Rho 0.1743093E+00 |GRAD(Rho)| 0.6746526E-16 GRAD(Rho)x -0.3816392E-16 GRAD(Rho)y 0.3686287E-17 GRAD(Rho)z 0.5551115E-16 Laplacian 0.4346374E+00 (-1/4)Del**2(Rho)) -0.1086594E+00 Diamond 0.1077029E+01 Metallicity 0.8623564E+01 Ellipticity 0.2155384E-02 Gb(Abramov) 0.2286114E+00 Vb(Abramov) -0.3485634E+00 Hb(Abramov) -0.1199520E+00 Ex_ueg -0.7191382E-01 Ec_ueg -0.1001742E-01 Delta_ex -0.4862956E-01 Delta_ec 0.1093671E-01 Delta_et -0.1492817E+00 Pxc 0.7178879E+01 Qxc -0.4446451E+01 3,-1 123 3 -1 0.415762 -0.125724 0.660013 Rho 0.1705010E+00 |GRAD(Rho)| 0.2333123E-15 GRAD(Rho)x 0.1700029E-15 GRAD(Rho)y -0.1181780E-15 GRAD(Rho)z -0.1075529E-15 Laplacian 0.4204855E+00 (-1/4)Del**2(Rho)) -0.1051214E+00 Diamond 0.1017987E+01 Metallicity 0.8591592E+01 Ellipticity 0.5020503E-02 Gb(Abramov) 0.2206076E+00 Vb(Abramov) -0.3360938E+00 Hb(Abramov) -0.1154862E+00 Ex_ueg -0.6982661E-01 Ec_ueg -0.9768544E-02 Delta_ex -0.4681598E-01 Delta_ec 0.1069009E-01 Delta_et -0.1456553E+00 Pxc 0.7148109E+01 Qxc -0.4379381E+01 3,-1 124 3 -1 0.560672 3.277840 -0.671629 Rho 0.1465755E+00 |GRAD(Rho)| 0.4679234E-09 GRAD(Rho)x 0.3064744E-09 GRAD(Rho)y -0.1718591E-09 GRAD(Rho)z -0.3090148E-09 Laplacian 0.6065170E+00 (-1/4)Del**2(Rho)) -0.1516293E+00 Diamond 0.1194061E+01 Metallicity 0.4629555E+01 Ellipticity 0.1573846E-01 Gb(Abramov) 0.2180822E+00 Vb(Abramov) -0.2845351E+00 Hb(Abramov) -0.6645291E-01 Ex_ueg -0.5707777E-01 Ec_ueg -0.8224660E-02 Delta_ex -0.6475147E-01 Delta_ec 0.1545093E-01 Delta_et -0.2049552E+00 Pxc 0.6939834E+01 Qxc -0.4190781E+01 3,-1 125 3 -1 1.740601 0.807201 -1.628204 Rho 0.3324564E-01 |GRAD(Rho)| 0.6280869E-16 GRAD(Rho)x -0.4553183E-16 GRAD(Rho)y -0.4113616E-16 GRAD(Rho)z 0.1340149E-16 Laplacian 0.1245863E+00 (-1/4)Del**2(Rho)) -0.3114658E-01 Diamond 0.3479960E-01 Metallicity 0.1901227E+01 Ellipticity 0.3558389E-01 Gb(Abramov) 0.3063384E-01 Vb(Abramov) -0.3012110E-01 Hb(Abramov) 0.5127410E-03 Ex_ueg -0.7895228E-02 Ec_ueg -0.1512204E-02 Delta_ex -0.9159318E-02 Delta_ec 0.3528298E-02 Delta_et -0.3334055E-01 Pxc 0.5221006E+01 Qxc -0.2595959E+01 3,-1 126 3 +1 1.653971 -0.806450 -0.018093 Rho 0.8522077E-02 |GRAD(Rho)| 0.8696239E-14 GRAD(Rho)x -0.2750912E-15 GRAD(Rho)y 0.3657714E-15 GRAD(Rho)z -0.8684187E-14 Laplacian 0.3448387E-01 (-1/4)Del**2(Rho)) -0.8620967E-02 Diamond 0.9269854E-03 Metallicity 0.7105145E+00 Ellipticity -0.1419696E+01 Gb(Abramov) 0.6768199E-02 Vb(Abramov) -0.4915430E-02 Hb(Abramov) 0.1852769E-02 Ex_ueg -0.1285619E-02 Ec_ueg -0.3014950E-03 Delta_ex -0.1578816E-02 Delta_ec 0.4978894E-03 Delta_et -0.3384793E-02 Pxc 0.4264148E+01 Qxc -0.3171017E+01 3,+1 127 3 +1 1.763497 2.547160 0.015071 Rho 0.1271658E-01 |GRAD(Rho)| 0.2609041E-16 GRAD(Rho)x 0.1036313E-16 GRAD(Rho)y -0.8188340E-17 GRAD(Rho)z 0.2250036E-16 Laplacian 0.6363495E-01 (-1/4)Del**2(Rho)) -0.1590874E-01 Diamond 0.2694237E-02 Metallicity 0.7502416E+00 Ellipticity -0.1248177E+01 Gb(Abramov) 0.1259506E-01 Vb(Abramov) -0.9281378E-02 Hb(Abramov) 0.3313680E-02 Ex_ueg -0.2192192E-02 Ec_ueg -0.4927489E-03 Delta_ex -0.3158396E-02 Delta_ec 0.7940682E-03 Delta_et -0.6062753E-02 Pxc 0.4448904E+01 Qxc -0.3977487E+01 3,+1 128 3 -1 3.053762 -0.791897 2.015539 Rho 0.7459424E-01 |GRAD(Rho)| 0.1057802E-12 GRAD(Rho)x -0.2921943E-13 GRAD(Rho)y -0.1013064E-12 GRAD(Rho)z -0.8525008E-14 Laplacian 0.2959277E+00 (-1/4)Del**2(Rho)) -0.7398194E-01 Diamond 0.2537480E+00 Metallicity 0.3078007E+01 Ellipticity 0.1730878E-01 Gb(Abramov) 0.8727411E-01 Vb(Abramov) -0.1005663E+00 Hb(Abramov) -0.1329217E-01 Ex_ueg -0.2319132E-01 Ec_ueg -0.3813805E-02 Delta_ex -0.2686084E-01 Delta_ec 0.8579147E-02 Delta_et -0.9991426E-01 Pxc 0.6080887E+01 Qxc -0.3130945E+01 3,-1 129 3 -1 1.748807 0.811955 1.617886 Rho 0.3393491E-01 |GRAD(Rho)| 0.7992822E-14 GRAD(Rho)x -0.1348161E-14 GRAD(Rho)y 0.7859864E-14 GRAD(Rho)z -0.5386951E-15 Laplacian 0.1281110E+00 (-1/4)Del**2(Rho)) -0.3202776E-01 Diamond 0.3669663E-01 Metallicity 0.1913248E+01 Ellipticity 0.3159196E-01 Gb(Abramov) 0.3156468E-01 Vb(Abramov) -0.3110160E-01 Hb(Abramov) 0.4630806E-03 Ex_ueg -0.8114231E-02 Ec_ueg -0.1548304E-02 Delta_ex -0.9459063E-02 Delta_ec 0.3614678E-02 Delta_et -0.3434776E-01 Pxc 0.5240723E+01 Qxc -0.2616848E+01 3,-1 130 3 +1 1.206658 0.646062 2.421931 Rho 0.2363840E-01 |GRAD(Rho)| 0.3426369E-14 GRAD(Rho)x 0.2635593E-14 GRAD(Rho)y -0.2097672E-14 GRAD(Rho)z 0.6272416E-15 Laplacian 0.8862258E-01 (-1/4)Del**2(Rho)) -0.2215565E-01 Diamond 0.1138232E-01 Metallicity 0.1513906E+01 Ellipticity -0.6504723E+01 Gb(Abramov) 0.2036069E-01 Vb(Abramov) -0.1856573E-01 Hb(Abramov) 0.1794956E-02 Ex_ueg -0.5010439E-02 Ec_ueg -0.1020407E-02 Delta_ex -0.5506379E-02 Delta_ec 0.1639940E-02 Delta_et -0.1424148E-01 Pxc 0.4910236E+01 Qxc -0.3357671E+01 3,+1 131 3 +3 2.326347 0.050384 -0.028447 Rho 0.3960530E-02 |GRAD(Rho)| 0.8437082E-15 GRAD(Rho)x -0.6114183E-15 GRAD(Rho)y 0.5752789E-16 GRAD(Rho)z 0.5785341E-15 Laplacian 0.1631796E-01 (-1/4)Del**2(Rho)) -0.4079489E-02 Diamond 0.1199466E-03 Metallicity 0.4186678E+00 Ellipticity -0.3064086E+00 Gb(Abramov) 0.3004318E-02 Vb(Abramov) -0.1929146E-02 Hb(Abramov) 0.1075171E-02 Ex_ueg -0.4627958E-03 Ec_ueg -0.1024581E-03 Delta_ex -0.5756992E-03 Delta_ec 0.1557537E-03 Delta_et -0.9361084E-03 Pxc 0.4516926E+01 Qxc -0.3696216E+01 3,+3 132 3 -1 1.735328 -1.001553 -1.619218 Rho 0.3623417E-01 |GRAD(Rho)| 0.7296426E-15 GRAD(Rho)x -0.8325487E-16 GRAD(Rho)y -0.7246574E-15 GRAD(Rho)z 0.1784698E-16 Laplacian 0.1500124E+00 (-1/4)Del**2(Rho)) -0.3750310E-01 Diamond 0.5294288E-01 Metallicity 0.1822566E+01 Ellipticity 0.4505590E-01 Gb(Abramov) 0.3639404E-01 Vb(Abramov) -0.3528499E-01 Hb(Abramov) 0.1109052E-02 Ex_ueg -0.8855428E-02 Ec_ueg -0.1669434E-02 Delta_ex -0.1165269E-01 Delta_ec 0.4935859E-02 Delta_et -0.4777944E-01 Pxc 0.5304449E+01 Qxc -0.2360823E+01 3,-1 133 3 -1 1.743923 -0.964552 1.606314 Rho 0.4263291E-01 |GRAD(Rho)| 0.1191542E-13 GRAD(Rho)x 0.7798091E-14 GRAD(Rho)y -0.8542365E-14 GRAD(Rho)z 0.2862694E-14 Laplacian 0.1621891E+00 (-1/4)Del**2(Rho)) -0.4054727E-01 Diamond 0.6544463E-01 Metallicity 0.2210547E+01 Ellipticity 0.6939093E-01 Gb(Abramov) 0.4197013E-01 Vb(Abramov) -0.4339298E-01 Hb(Abramov) -0.1422850E-02 Ex_ueg -0.1099964E-01 Ec_ueg -0.2011889E-02 Delta_ex -0.1278774E-01 Delta_ec 0.4766292E-02 Delta_et -0.4817494E-01 Pxc 0.5467317E+01 Qxc -0.2682954E+01 3,-1 134 3 +3 1.965022 0.038123 2.693991 Rho 0.1139660E-01 |GRAD(Rho)| 0.1597379E-16 GRAD(Rho)x -0.8592527E-17 GRAD(Rho)y 0.5799437E-17 GRAD(Rho)z -0.1215306E-16 Laplacian 0.5044642E-01 (-1/4)Del**2(Rho)) -0.1261160E-01 Diamond 0.1072557E-02 Metallicity 0.7883905E+00 Ellipticity -0.6847508E+00 Gb(Abramov) 0.1006488E-01 Vb(Abramov) -0.7518158E-02 Hb(Abramov) 0.2546723E-02 Ex_ueg -0.1894168E-02 Ec_ueg -0.4317859E-03 Delta_ex -0.2195223E-02 Delta_ec 0.2066712E-03 Delta_et -0.1883763E-02 Pxc 0.4386823E+01 Qxc -0.1062182E+02 3,+3 135 3 -1 2.086974 -1.587629 -2.793095 Rho 0.1232076E+00 |GRAD(Rho)| 0.4015261E-13 GRAD(Rho)x 0.8114901E-14 GRAD(Rho)y 0.3363728E-13 GRAD(Rho)z -0.2036943E-13 Laplacian 0.4891709E+00 (-1/4)Del**2(Rho)) -0.1222927E+00 Diamond 0.8034845E+00 Metallicity 0.4297492E+01 Ellipticity 0.1578895E-01 Gb(Abramov) 0.1691205E+00 Vb(Abramov) -0.2159483E+00 Hb(Abramov) -0.4682776E-01 Ex_ueg -0.4527952E-01 Ec_ueg -0.6751186E-02 Delta_ex -0.5035436E-01 Delta_ec 0.1349893E-01 Delta_et -0.1751227E+00 Pxc 0.6706897E+01 Qxc -0.3730247E+01 3,-1 136 3 -1 2.093756 -1.539421 2.755581 Rho 0.1368524E+00 |GRAD(Rho)| 0.2693913E-15 GRAD(Rho)x 0.1695353E-15 GRAD(Rho)y -0.2600730E-16 GRAD(Rho)z -0.2077331E-15 Laplacian 0.5204462E+00 (-1/4)Del**2(Rho)) -0.1301116E+00 Diamond 0.9482558E+00 Metallicity 0.4811991E+01 Ellipticity 0.2131405E-01 Gb(Abramov) 0.1910903E+00 Vb(Abramov) -0.2520691E+00 Hb(Abramov) -0.6097875E-01 Ex_ueg -0.5208608E-01 Ec_ueg -0.7607268E-02 Delta_ex -0.5469304E-01 Delta_ec 0.1357792E-01 Delta_et -0.1784773E+00 Pxc 0.6846884E+01 Qxc -0.4028088E+01 3,-1 137 3 +1 2.126891 0.016037 -2.872618 Rho 0.1058741E-01 |GRAD(Rho)| 0.1365257E-16 GRAD(Rho)x 0.1178308E-16 GRAD(Rho)y -0.3965420E-17 GRAD(Rho)z 0.5641562E-17 Laplacian 0.4503211E-01 (-1/4)Del**2(Rho)) -0.1125803E-01 Diamond 0.1229451E-02 Metallicity 0.7811603E+00 Ellipticity -0.1161506E+01 Gb(Abramov) 0.8971072E-02 Vb(Abramov) -0.6684117E-02 Hb(Abramov) 0.2286955E-02 Ex_ueg -0.1717003E-02 Ec_ueg -0.3947578E-03 Delta_ex -0.2042751E-02 Delta_ec 0.4074116E-03 Delta_et -0.3106761E-02 Pxc 0.4349511E+01 Qxc -0.5013973E+01 3,+1 138 3 -1 1.825714 2.392019 1.585057 Rho 0.1327776E+00 |GRAD(Rho)| 0.2630871E-15 GRAD(Rho)x 0.2336185E-15 GRAD(Rho)y -0.1207666E-15 GRAD(Rho)z 0.7257378E-17 Laplacian 0.5530647E+00 (-1/4)Del**2(Rho)) -0.1382662E+00 Diamond 0.9662169E+00 Metallicity 0.4305713E+01 Ellipticity 0.1267303E-01 Gb(Abramov) 0.1913999E+00 Vb(Abramov) -0.2445336E+00 Hb(Abramov) -0.5313370E-01 Ex_ueg -0.5002857E-01 Ec_ueg -0.7350323E-02 Delta_ex -0.5763242E-01 Delta_ec 0.1441846E-01 Delta_et -0.1884022E+00 Pxc 0.6806308E+01 Qxc -0.3997127E+01 3,-1 139 3 -1 1.824628 2.392702 -1.570474 Rho 0.1222010E+00 |GRAD(Rho)| 0.1828009E-13 GRAD(Rho)x 0.1697415E-13 GRAD(Rho)y 0.6181375E-14 GRAD(Rho)z 0.2798319E-14 Laplacian 0.5149786E+00 (-1/4)Del**2(Rho)) -0.1287446E+00 Diamond 0.8150352E+00 Metallicity 0.4026693E+01 Ellipticity 0.9728259E-02 Gb(Abramov) 0.1722323E+00 Vb(Abramov) -0.2157199E+00 Hb(Abramov) -0.4348764E-01 Ex_ueg -0.4478693E-01 Ec_ueg -0.6688525E-02 Delta_ex -0.5261282E-01 Delta_ec 0.1371128E-01 Delta_et -0.1767576E+00 Pxc 0.6696085E+01 Qxc -0.3837193E+01 3,-1 140 3 -1 2.097899 -2.720086 -1.779940 Rho 0.2003714E+00 |GRAD(Rho)| 0.3985039E-13 GRAD(Rho)x 0.5595080E-14 GRAD(Rho)y 0.3517998E-13 GRAD(Rho)z -0.1786387E-13 Laplacian 0.7745409E+00 (-1/4)Del**2(Rho)) -0.1936352E+00 Diamond 0.2210118E+01 Metallicity 0.6104196E+01 Ellipticity 0.3883004E-02 Gb(Abramov) 0.3260880E+00 Vb(Abramov) -0.4585409E+00 Hb(Abramov) -0.1324528E+00 Ex_ueg -0.8659632E-01 Ec_ueg -0.1174288E-01 Delta_ex -0.8935159E-01 Delta_ec 0.1807699E-01 Delta_et -0.2480598E+00 Pxc 0.7374371E+01 Qxc -0.4942834E+01 3,-1 141 3 -1 2.031363 -2.605144 1.774648 Rho 0.2255603E+00 |GRAD(Rho)| 0.1595807E-10 GRAD(Rho)x 0.9429952E-11 GRAD(Rho)y 0.1271716E-10 GRAD(Rho)z 0.2002433E-11 Laplacian 0.8663428E+00 (-1/4)Del**2(Rho)) -0.2165857E+00 Diamond 0.2827554E+01 Metallicity 0.6648051E+01 Ellipticity 0.1981661E-02 Gb(Abramov) 0.3843693E+00 Vb(Abramov) -0.5521528E+00 Hb(Abramov) -0.1677836E+00 Ex_ueg -0.1014071E+00 Ec_ueg -0.1344665E-01 Delta_ex -0.1029025E+00 Delta_ec 0.1932326E-01 Delta_et -0.2662866E+00 Pxc 0.7541442E+01 Qxc -0.5325318E+01 3,-1 142 3 -1 2.038237 1.585348 -2.739020 Rho 0.1685252E+00 |GRAD(Rho)| 0.3244167E-11 GRAD(Rho)x -0.1798582E-11 GRAD(Rho)y -0.5573445E-12 GRAD(Rho)z -0.2641797E-11 Laplacian 0.6522599E+00 (-1/4)Del**2(Rho)) -0.1630650E+00 Diamond 0.1514742E+01 Metallicity 0.5432093E+01 Ellipticity 0.3995399E-01 Gb(Abramov) 0.2563407E+00 Vb(Abramov) -0.3496164E+00 Hb(Abramov) -0.9327569E-01 Ex_ueg -0.6874981E-01 Ec_ueg -0.9639756E-02 Delta_ex -0.7204979E-01 Delta_ec 0.1598580E-01 Delta_et -0.2157900E+00 Pxc 0.7131903E+01 Qxc -0.4507113E+01 3,-1 143 3 -1 2.032777 1.591331 2.731085 Rho 0.1591295E+00 |GRAD(Rho)| 0.2668804E-15 GRAD(Rho)x -0.1011290E-15 GRAD(Rho)y -0.5675798E-16 GRAD(Rho)z -0.2403676E-15 Laplacian 0.6160838E+00 (-1/4)Del**2(Rho)) -0.1540209E+00 Diamond 0.1336209E+01 Metallicity 0.5226666E+01 Ellipticity 0.3122005E-01 Gb(Abramov) 0.2368500E+00 Vb(Abramov) -0.3196790E+00 Hb(Abramov) -0.8282903E-01 Ex_ueg -0.6368730E-01 Ec_ueg -0.9030475E-02 Delta_ex -0.6709559E-01 Delta_ec 0.1533436E-01 Delta_et -0.2055833E+00 Pxc 0.7052486E+01 Qxc -0.4375507E+01 3,-1 144 3 -1 3.082975 -0.794876 -2.010232 Rho 0.5660278E-01 |GRAD(Rho)| 0.2578052E-12 GRAD(Rho)x 0.5982248E-13 GRAD(Rho)y 0.2505369E-12 GRAD(Rho)z -0.1077272E-13 Laplacian 0.2380467E+00 (-1/4)Del**2(Rho)) -0.5951168E-01 Diamond 0.1520487E+00 Metallicity 0.2415538E+01 Ellipticity 0.5632608E-02 Gb(Abramov) 0.6363324E-01 Vb(Abramov) -0.6775480E-01 Hb(Abramov) -0.4121562E-02 Ex_ueg -0.1605100E-01 Ec_ueg -0.2782976E-02 Delta_ex -0.2055519E-01 Delta_ec 0.7686999E-02 Delta_et -0.8393776E-01 Pxc 0.5767567E+01 Qxc -0.2674020E+01 3,-1 145 3 +1 3.008811 0.050138 -0.202454 Rho 0.4759541E-02 |GRAD(Rho)| 0.5235004E-17 GRAD(Rho)x 0.4633655E-19 GRAD(Rho)y -0.5013783E-17 GRAD(Rho)z 0.1505026E-17 Laplacian 0.1898117E-01 (-1/4)Del**2(Rho)) -0.4745294E-02 Diamond 0.3943038E-03 Metallicity 0.4889133E+00 Ellipticity -0.2434629E+01 Gb(Abramov) 0.3550202E-02 Vb(Abramov) -0.2355110E-02 Hb(Abramov) 0.1195092E-02 Ex_ueg -0.5912963E-03 Ec_ueg -0.1365796E-03 Delta_ex -0.9150284E-03 Delta_ec 0.5623532E-03 Delta_et -0.3023521E-02 Pxc 0.4329317E+01 Qxc -0.1627142E+01 3,+1 146 3 -1 2.813844 -1.749881 -0.870473 Rho 0.1031164E+00 |GRAD(Rho)| 0.8349768E-10 GRAD(Rho)x 0.2060866E-10 GRAD(Rho)y 0.7906611E-11 GRAD(Rho)z 0.8052721E-10 Laplacian 0.4476941E+00 (-1/4)Del**2(Rho)) -0.1119235E+00 Diamond 0.5997048E+00 Metallicity 0.3490154E+01 Ellipticity 0.8475394E-02 Gb(Abramov) 0.1397207E+00 Vb(Abramov) -0.1675180E+00 Hb(Abramov) -0.2779722E-01 Ex_ueg -0.3571264E-01 Ec_ueg -0.5514215E-02 Delta_ex -0.4430214E-01 Delta_ec 0.1304141E-01 Delta_et -0.1638078E+00 Pxc 0.6476468E+01 Qxc -0.3397036E+01 3,-1 147 3 -1 2.810916 -1.720353 0.915525 Rho 0.1599961E+00 |GRAD(Rho)| 0.3178675E-15 GRAD(Rho)x -0.1878380E-16 GRAD(Rho)y -0.2709150E-16 GRAD(Rho)z 0.3161534E-15 Laplacian 0.6484713E+00 (-1/4)Del**2(Rho)) -0.1621178E+00 Diamond 0.1413032E+01 Metallicity 0.5010774E+01 Ellipticity 0.7556092E-02 Gb(Abramov) 0.2434678E+00 Vb(Abramov) -0.3248178E+00 Hb(Abramov) -0.8135001E-01 Ex_ueg -0.6415014E-01 Ec_ueg -0.9086449E-02 Delta_ex -0.7069401E-01 Delta_ec 0.1607544E-01 Delta_et -0.2155585E+00 Pxc 0.7059979E+01 Qxc -0.4397642E+01 3,-1 148 3 -1 3.094555 0.916129 -2.010043 Rho 0.1907816E+00 |GRAD(Rho)| 0.7109035E-15 GRAD(Rho)x 0.5649778E-15 GRAD(Rho)y -0.3346932E-15 GRAD(Rho)z -0.2723313E-15 Laplacian 0.7315742E+00 (-1/4)Del**2(Rho)) -0.1828936E+00 Diamond 0.1970672E+01 Metallicity 0.5955463E+01 Ellipticity 0.3039131E-01 Gb(Abramov) 0.3034650E+00 Vb(Abramov) -0.4240364E+00 Hb(Abramov) -0.1205714E+00 Ex_ueg -0.8111484E-01 Ec_ueg -0.1110350E-01 Delta_ex -0.8336622E-01 Delta_ec 0.1733726E-01 Delta_et -0.2370275E+00 Pxc 0.7305340E+01 Qxc -0.4808499E+01 3,-1 149 3 -1 2.800222 1.740635 -0.893090 Rho 0.1276715E+00 |GRAD(Rho)| 0.3653187E-15 GRAD(Rho)x 0.1422812E-15 GRAD(Rho)y 0.1818728E-16 GRAD(Rho)z 0.3359807E-15 Laplacian 0.5302803E+00 (-1/4)Del**2(Rho)) -0.1325701E+00 Diamond 0.8866861E+00 Metallicity 0.4206599E+01 Ellipticity 0.1151312E-01 Gb(Abramov) 0.1813249E+00 Vb(Abramov) -0.2300797E+00 Hb(Abramov) -0.4875483E-01 Ex_ueg -0.4747998E-01 Ec_ueg -0.7029891E-02 Delta_ex -0.5477378E-01 Delta_ec 0.1401902E-01 Delta_et -0.1821429E+00 Pxc 0.6754013E+01 Qxc -0.3907106E+01 3,-1 150 3 -1 2.800947 1.743653 0.894280 Rho 0.1406117E+00 |GRAD(Rho)| 0.3250595E-16 GRAD(Rho)x -0.2981217E-16 GRAD(Rho)y -0.1196942E-16 GRAD(Rho)z 0.4960225E-17 Laplacian 0.5871063E+00 (-1/4)Del**2(Rho)) -0.1467766E+00 Diamond 0.1097756E+01 Metallicity 0.4462710E+01 Ellipticity 0.1589590E-01 Gb(Abramov) 0.2070213E+00 Vb(Abramov) -0.2672660E+00 Hb(Abramov) -0.6024470E-01 Ex_ueg -0.5400246E-01 Ec_ueg -0.7845262E-02 Delta_ex -0.6202602E-01 Delta_ec 0.1507421E-01 Delta_et -0.1986734E+00 Pxc 0.6883450E+01 Qxc -0.4114711E+01 3,-1 151 3 -1 3.065414 0.894411 2.021978 Rho 0.1764792E+00 |GRAD(Rho)| 0.3476849E-15 GRAD(Rho)x 0.1543904E-15 GRAD(Rho)y -0.3113287E-15 GRAD(Rho)z -0.1108597E-16 Laplacian 0.6849013E+00 (-1/4)Del**2(Rho)) -0.1712253E+00 Diamond 0.1678542E+01 Metallicity 0.5586513E+01 Ellipticity 0.4351723E-01 Gb(Abramov) 0.2735757E+00 Vb(Abramov) -0.3759260E+00 Hb(Abramov) -0.1023503E+00 Ex_ueg -0.7310991E-01 Ec_ueg -0.1015960E-01 Delta_ex -0.7651402E-01 Delta_ec 0.1654864E-01 Delta_et -0.2244374E+00 Pxc 0.7196144E+01 Qxc -0.4623582E+01 3,-1 152 3 -1 3.236909 2.398295 2.223509 Rho 0.2197985E+00 |GRAD(Rho)| 0.3052878E-15 GRAD(Rho)x -0.2869341E-15 GRAD(Rho)y -0.6971420E-16 GRAD(Rho)z 0.7752046E-16 Laplacian 0.8001225E+00 (-1/4)Del**2(Rho)) -0.2000306E+00 Diamond 0.2560554E+01 Metallicity 0.6894423E+01 Ellipticity 0.1892011E-02 Gb(Abramov) 0.3632030E+00 Vb(Abramov) -0.5263754E+00 Hb(Abramov) -0.1631724E+00 Ex_ueg -0.9796810E-01 Ec_ueg -0.1305383E-01 Delta_ex -0.9457603E-01 Delta_ec 0.1829128E-01 Delta_et -0.2529785E+00 Pxc 0.7504931E+01 Qxc -0.5170553E+01 3,-1 153 3 -1 3.453623 -2.249409 -2.269221 Rho 0.1850177E+00 |GRAD(Rho)| 0.1802489E-14 GRAD(Rho)x -0.1580875E-14 GRAD(Rho)y 0.6738045E-15 GRAD(Rho)z -0.5438629E-15 Laplacian 0.6936260E+00 (-1/4)Del**2(Rho)) -0.1734065E+00 Diamond 0.1818169E+01 Metallicity 0.5968201E+01 Ellipticity 0.2178509E-01 Gb(Abramov) 0.2880918E+00 Vb(Abramov) -0.4027771E+00 Hb(Abramov) -0.1146853E+00 Ex_ueg -0.7786391E-01 Ec_ueg -0.1072171E-01 Delta_ex -0.7856038E-01 Delta_ec 0.1680651E-01 Delta_et -0.2298331E+00 Pxc 0.7262269E+01 Qxc -0.4674401E+01 3,-1 154 3 -1 3.394735 -2.239902 2.252787 Rho 0.2129677E+00 |GRAD(Rho)| 0.1544394E-15 GRAD(Rho)x 0.9812030E-17 GRAD(Rho)y 0.1301043E-16 GRAD(Rho)z 0.1535772E-15 Laplacian 0.7804599E+00 (-1/4)Del**2(Rho)) -0.1951150E+00 Diamond 0.2406542E+01 Metallicity 0.6705823E+01 Ellipticity 0.1387974E-01 Gb(Abramov) 0.3481444E+00 Vb(Abramov) -0.5011738E+00 Hb(Abramov) -0.1530294E+00 Ex_ueg -0.9392979E-01 Ec_ueg -0.1259050E-01 Delta_ex -0.9151671E-01 Delta_ec 0.1802309E-01 Delta_et -0.2488487E+00 Pxc 0.7460371E+01 Qxc -0.5077748E+01 3,-1 155 3 -1 3.220185 2.414565 -2.228351 Rho 0.2187858E+00 |GRAD(Rho)| 0.1560169E-13 GRAD(Rho)x -0.1134623E-13 GRAD(Rho)y -0.6374567E-14 GRAD(Rho)z -0.8604689E-14 Laplacian 0.7966765E+00 (-1/4)Del**2(Rho)) -0.1991691E+00 Diamond 0.2536127E+01 Metallicity 0.6871155E+01 Ellipticity 0.3833672E-02 Gb(Abramov) 0.3608664E+00 Vb(Abramov) -0.5225637E+00 Hb(Abramov) -0.1616973E+00 Ex_ueg -0.9736674E-01 Ec_ueg -0.1298498E-01 Delta_ex -0.9406090E-01 Delta_ec 0.1824411E-01 Delta_et -0.2522856E+00 Pxc 0.7498413E+01 Qxc -0.5155686E+01 3,-1 156 3 -1 -1.975324 2.772101 -1.527173 Rho 0.8170432E-01 |GRAD(Rho)| 0.7735914E-13 GRAD(Rho)x -0.4116518E-13 GRAD(Rho)y -0.6304068E-13 GRAD(Rho)z -0.1776899E-13 Laplacian 0.3432999E+00 (-1/4)Del**2(Rho)) -0.8582498E-01 Diamond 0.3437690E+00 Metallicity 0.3088027E+01 Ellipticity 0.4560001E-02 Gb(Abramov) 0.1013883E+00 Vb(Abramov) -0.1169516E+00 Hb(Abramov) -0.1556332E-01 Ex_ueg -0.2618455E-01 Ec_ueg -0.4230815E-02 Delta_ex -0.3214701E-01 Delta_ec 0.1036858E-01 Delta_et -0.1237566E+00 Pxc 0.6189007E+01 Qxc -0.3100425E+01 3,-1 157 3 -1 -3.011036 2.095971 -0.799364 Rho 0.1003596E+00 |GRAD(Rho)| 0.1745843E-15 GRAD(Rho)x -0.8211476E-16 GRAD(Rho)y 0.3124196E-16 GRAD(Rho)z 0.1508667E-15 Laplacian 0.4146627E+00 (-1/4)Del**2(Rho)) -0.1036657E+00 Diamond 0.5344063E+00 Metallicity 0.3601774E+01 Ellipticity 0.1829349E-01 Gb(Abramov) 0.1313405E+00 Vb(Abramov) -0.1590153E+00 Hb(Abramov) -0.2767483E-01 Ex_ueg -0.3444533E-01 Ec_ueg -0.5346841E-02 Delta_ex -0.4072369E-01 Delta_ec 0.1205342E-01 Delta_et -0.1504491E+00 Pxc 0.6442183E+01 Qxc -0.3378599E+01 3,-1 158 3 -1 -3.019411 2.112362 0.834978 Rho 0.1519010E+00 |GRAD(Rho)| 0.7749563E-15 GRAD(Rho)x 0.2614825E-15 GRAD(Rho)y -0.2162035E-15 GRAD(Rho)z 0.6967354E-15 Laplacian 0.5883360E+00 (-1/4)Del**2(Rho)) -0.1470840E+00 Diamond 0.1208379E+01 Metallicity 0.5065109E+01 Ellipticity 0.3326863E-01 Gb(Abramov) 0.2222221E+00 Vb(Abramov) -0.2973602E+00 Hb(Abramov) -0.7513809E-01 Ex_ueg -0.5985943E-01 Ec_ueg -0.8565316E-02 Delta_ex -0.6335767E-01 Delta_ec 0.1484478E-01 Delta_et -0.1978727E+00 Pxc 0.6988584E+01 Qxc -0.4268009E+01 3,-1 159 3 -1 -3.242619 2.261619 -2.350425 Rho 0.1875215E+00 |GRAD(Rho)| 0.1765564E-10 GRAD(Rho)x -0.1202319E-10 GRAD(Rho)y 0.7605770E-11 GRAD(Rho)z -0.1045547E-10 Laplacian 0.7169216E+00 (-1/4)Del**2(Rho)) -0.1792304E+00 Diamond 0.1894454E+01 Metallicity 0.5905092E+01 Ellipticity 0.3480807E-02 Gb(Abramov) 0.2958823E+00 Vb(Abramov) -0.4125342E+00 Hb(Abramov) -0.1166519E+00 Ex_ueg -0.7927201E-01 Ec_ueg -0.1088732E-01 Delta_ex -0.8136116E-01 Delta_ec 0.1710618E-01 Delta_et -0.2336124E+00 Pxc 0.7281130E+01 Qxc -0.4756244E+01 3,-1 160 3 -1 -3.143322 -2.182879 -0.827940 Rho 0.1197706E+00 |GRAD(Rho)| 0.7669872E-16 GRAD(Rho)x -0.4974455E-16 GRAD(Rho)y 0.4146904E-16 GRAD(Rho)z -0.4109126E-16 Laplacian 0.4791122E+00 (-1/4)Del**2(Rho)) -0.1197781E+00 Diamond 0.7625202E+00 Metallicity 0.4185619E+01 Ellipticity 0.1805661E-01 Gb(Abramov) 0.1634096E+00 Vb(Abramov) -0.2070411E+00 Hb(Abramov) -0.4363154E-01 Ex_ueg -0.4360324E-01 Ec_ueg -0.6537527E-02 Delta_ex -0.4901474E-01 Delta_ec 0.1335297E-01 Delta_et -0.1724235E+00 Pxc 0.6669685E+01 Qxc -0.3670700E+01 3,-1 161 3 -1 -0.823358 3.623302 -0.701286 Rho 0.1684708E+00 |GRAD(Rho)| 0.8752921E-15 GRAD(Rho)x 0.5833008E-15 GRAD(Rho)y 0.2437837E-15 GRAD(Rho)z 0.6053643E-15 Laplacian 0.6555910E+00 (-1/4)Del**2(Rho)) -0.1638978E+00 Diamond 0.1517723E+01 Metallicity 0.5401587E+01 Ellipticity 0.3847252E-01 Gb(Abramov) 0.2568165E+00 Vb(Abramov) -0.3497353E+00 Hb(Abramov) -0.9291875E-01 Ex_ueg -0.6872025E-01 Ec_ueg -0.9636216E-02 Delta_ex -0.7237638E-01 Delta_ec 0.1600532E-01 Delta_et -0.2158718E+00 Pxc 0.7131455E+01 Qxc -0.4522021E+01 3,-1 162 3 -1 -0.824266 3.592229 0.730540 Rho 0.1546024E+00 |GRAD(Rho)| 0.4353706E-14 GRAD(Rho)x 0.6479463E-15 GRAD(Rho)y 0.3670868E-14 GRAD(Rho)z -0.2249367E-14 Laplacian 0.6022339E+00 (-1/4)Del**2(Rho)) -0.1505585E+00 Diamond 0.1261802E+01 Metallicity 0.5095756E+01 Ellipticity 0.4613582E-01 Gb(Abramov) 0.2282405E+00 Vb(Abramov) -0.3059225E+00 Hb(Abramov) -0.7768204E-01 Ex_ueg -0.6128303E-01 Ec_ueg -0.8738785E-02 Delta_ex -0.6512170E-01 Delta_ec 0.1510142E-01 Delta_et -0.2017067E+00 Pxc 0.7012763E+01 Qxc -0.4312291E+01 3,-1 163 3 -1 -0.059431 -0.037531 -4.579197 Rho 0.1912399E+00 |GRAD(Rho)| 0.1201918E-14 GRAD(Rho)x 0.6142412E-15 GRAD(Rho)y 0.3889575E-16 GRAD(Rho)z 0.1032377E-14 Laplacian 0.7318873E+00 (-1/4)Del**2(Rho)) -0.1829718E+00 Diamond 0.1980874E+01 Metallicity 0.5976766E+01 Ellipticity 0.4346306E-02 Gb(Abramov) 0.3042445E+00 Vb(Abramov) -0.4255172E+00 Hb(Abramov) -0.1212727E+00 Ex_ueg -0.8137473E-01 Ec_ueg -0.1113394E-01 Delta_ex -0.8347914E-01 Delta_ec 0.1738066E-01 Delta_et -0.2378265E+00 Pxc 0.7308713E+01 Qxc -0.4802990E+01 3,-1 164 3 -1 -0.061694 -0.008848 4.533419 Rho 0.1931956E+00 |GRAD(Rho)| 0.1694738E-14 GRAD(Rho)x -0.2807948E-15 GRAD(Rho)y -0.5242998E-15 GRAD(Rho)z -0.1586947E-14 Laplacian 0.7438809E+00 (-1/4)Del**2(Rho)) -0.1859702E+00 Diamond 0.2032398E+01 Metallicity 0.5980971E+01 Ellipticity 0.3842687E-02 Gb(Abramov) 0.3093606E+00 Vb(Abramov) -0.4327509E+00 Hb(Abramov) -0.1233903E+00 Ex_ueg -0.8248619E-01 Ec_ueg -0.1126396E-01 Delta_ex -0.8502612E-01 Delta_ec 0.1754475E-01 Delta_et -0.2400543E+00 Pxc 0.7323020E+01 Qxc -0.4846244E+01 3,-1 165 3 -1 0.562823 3.274164 0.698250 Rho 0.1363506E+00 |GRAD(Rho)| 0.3074060E-09 GRAD(Rho)x 0.1993972E-09 GRAD(Rho)y -0.1126681E-09 GRAD(Rho)z 0.2050491E-09 Laplacian 0.5696490E+00 (-1/4)Del**2(Rho)) -0.1424122E+00 Diamond 0.1028281E+01 Metallicity 0.4369524E+01 Ellipticity 0.1524839E-01 Gb(Abramov) 0.1986538E+00 Vb(Abramov) -0.2548954E+00 Hb(Abramov) -0.5624155E-01 Ex_ueg -0.5183157E-01 Ec_ueg -0.7575566E-02 Delta_ex -0.5975325E-01 Delta_ec 0.1477272E-01 Delta_et -0.1938681E+00 Pxc 0.6841941E+01 Qxc -0.4044839E+01 3,-1 166 3 -1 0.905300 -0.734746 -3.582438 Rho 0.1204059E+00 |GRAD(Rho)| 0.4512838E-15 GRAD(Rho)x -0.1812651E-15 GRAD(Rho)y 0.3493299E-15 GRAD(Rho)z -0.2208363E-15 Laplacian 0.4917362E+00 (-1/4)Del**2(Rho)) -0.1229341E+00 Diamond 0.7788729E+00 Metallicity 0.4114281E+01 Ellipticity 0.3303237E-01 Gb(Abramov) 0.1662536E+00 Vb(Abramov) -0.2095731E+00 Hb(Abramov) -0.4331952E-01 Ex_ueg -0.4391189E-01 Ec_ueg -0.6576958E-02 Delta_ex -0.5025254E-01 Delta_ec 0.1347997E-01 Delta_et -0.1738997E+00 Pxc 0.6676626E+01 Qxc -0.3727940E+01 3,-1 167 3 -1 -1.980104 2.755966 1.531109 Rho 0.1016548E+00 |GRAD(Rho)| 0.6535249E-15 GRAD(Rho)x 0.1580021E-15 GRAD(Rho)y 0.6142954E-15 GRAD(Rho)z -0.1573889E-15 Laplacian 0.4006200E+00 (-1/4)Del**2(Rho)) -0.1001550E+00 Diamond 0.5039782E+00 Metallicity 0.3808556E+01 Ellipticity 0.1310236E-01 Gb(Abramov) 0.1303443E+00 Vb(Abramov) -0.1605337E+00 Hb(Abramov) -0.3018932E-01 Ex_ueg -0.3503932E-01 Ec_ueg -0.5425403E-02 Delta_ex -0.3912013E-01 Delta_ec 0.1100400E-01 Delta_et -0.1369766E+00 Pxc 0.6458380E+01 Qxc -0.3555082E+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 74 120 95 103 104 121 164 123 100 122 96 109 101 93 166 102 163 107 165 124 162 161 117 133 147 141 128 136 154 125 149 139 148 142 155 62 66 82 157 156 159 56 65 77 86 72 55 76 64 75 160 73 54 84 67 81 158 167 71 129 150 138 151 143 152 132 146 140 144 135 153 74 97 110 114 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 21 22 25 28 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 36 24 27 37 2.360488 2.006279 1.919735 2.097506 2.022888 1.825862 1.738252 1.692868 1.728594 1.745166 2.390091 1.915715 1.996189 2.007407 2.142130 1.829946 2.453740 1.953034 1.924831 1.914251 1.880846 1.778124 2.437181 1.891453 1.766438 2.207094 1.964830 1.789501 2.546405 1.978322 1.995572 1.832845 1.879699 1.778775 2.433431 1.863277 1.958485 2.077889 2.159644 1.837499 2.402351 2.336216 2.047983 1.988948 1.827194 1.846062 2.457714 2.212777 2.058945 2.009090 1.836694 1.848475 2.410397 1.803954 1.931425 1.922181 2.081652 1.786243 2.537583 1.939778 1.963901 1.862424 1.903062 1.776930 2.488433 2.052668 1.811807 2.309481 1.999586 1.843788 3.700188 3.215196 3.269689 3.632413 2.362433 2.006580 1.919955 2.097755 2.023124 1.825866 1.738287 1.692894 1.728627 1.745183 2.392267 1.915947 1.996383 2.007672 2.142423 1.829949 2.455617 1.953488 1.925301 1.914712 1.881171 1.778129 2.438800 1.891740 1.766463 2.207481 1.965326 1.789526 2.548010 1.978769 1.996045 1.833101 1.880054 1.778789 2.435109 1.863425 1.958657 2.078105 2.159894 1.837504 2.405117 2.336402 2.048127 1.989214 1.827204 1.846071 2.460077 2.212965 2.059080 2.009346 1.836704 1.848484 2.411807 1.804193 1.931744 1.922613 2.082054 1.786263 2.539025 1.940270 1.964347 1.862794 1.903463 1.776936 2.490781 2.052873 1.811834 2.309763 1.999839 1.843802 3.700721 3.216260 3.271406 3.635096 33 28 26 30 27 25 24 22 25 25 30 26 26 24 30 24 31 25 27 24 23 25 34 24 25 28 25 24 34 26 25 23 24 23 30 23 26 25 25 23 31 30 28 25 27 26 31 28 26 25 26 24 31 26 28 24 25 27 35 25 26 23 25 24 32 24 23 27 27 22 39 35 35 39 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 Ta As Ta W W W Ta Ta Ta W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.1211 2.3696 2.0908 2.3688 2.2727 2.3338 2.0604 1.9911 1.9713 2.3272 2.3450 1.9623 -1.0981 -0.9973 -1.0882 -1.0886 -0.9009 -1.0053 -0.9935 -0.9864 -0.9662 -0.9806 -1.0305 -1.0024 -1.0331 -1.0302 -0.9812 -0.8449 -0.9903 -1.0872 -0.9622 -1.0372 -1.0178 -1.0770 -1.0158 -1.0322 -1.0287 -1.0077 -1.0504 -1.0072 -1.0097 -1.0450 -1.0212 -0.9192 -0.9447 -0.9223 -1.0343 -1.0581 -1.0619 -0.9386 -0.9181 2.1267 0.8844 2.1397 2.1157 2.1558 2.1305 2.1378 2.1743 2.1795 2.1312 2.1229 2.1696 1.9359 1.9509 1.9390 1.9318 1.9443 1.9265 1.9276 1.9252 1.9322 1.9258 1.9200 1.9242 1.9199 1.9209 1.9263 1.9511 1.9356 1.9199 1.9399 1.9296 1.9304 1.9218 1.9316 1.9228 1.9247 1.9333 1.9275 1.9323 1.9302 1.9255 1.9288 1.9439 1.9416 1.9446 1.9273 1.9239 1.9225 1.9425 1.9450 6.0949 1.2091 6.1033 6.0994 6.1260 6.1107 6.0957 6.1032 6.1134 6.1087 6.1088 6.1105 5.1284 5.0135 5.1162 5.1234 4.9261 5.0527 5.0415 5.0336 5.0092 5.0271 5.0870 5.0521 5.0892 5.0860 5.0273 4.8621 5.0272 5.1437 4.9941 5.0810 5.0605 5.1317 5.0568 5.0883 5.0820 5.0475 5.0970 5.0477 5.0568 5.0984 5.0702 4.9461 4.9755 4.9485 5.0856 5.1135 5.1190 4.9681 4.9438 2.6222 10.5369 2.6315 3.3860 3.4167 3.3952 2.6715 2.6985 2.7024 3.4030 3.3934 2.7251 0.0338 0.0329 0.0330 0.0333 0.0305 0.0261 0.0245 0.0277 0.0248 0.0277 0.0235 0.0261 0.0241 0.0233 0.0276 0.0317 0.0276 0.0235 0.0282 0.0266 0.0269 0.0235 0.0274 0.0211 0.0220 0.0268 0.0259 0.0273 0.0226 0.0210 0.0221 0.0291 0.0277 0.0291 0.0215 0.0206 0.0204 0.0280 0.0293 14.0351 0.0000 14.0348 14.0301 14.0289 14.0297 14.0345 14.0329 14.0334 14.0298 14.0299 14.0325 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 Ta As Ta W W W Ta Ta Ta W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.355362 2.296050 2.347456 2.489361 2.457429 2.478830 2.324074 2.329688 2.333356 2.468807 2.482575 2.303612 -1.085172 -1.041397 -1.085083 -1.090011 -0.982438 -1.039068 -1.079814 -1.018824 -1.078808 -1.020223 -1.092025 -1.046546 -1.088604 -1.079226 -1.019297 -0.931204 -1.029792 -1.125600 -1.023201 -1.068306 -1.050965 -1.118150 -1.041998 -1.149378 -1.135220 -1.048191 -1.071866 -1.044512 -1.125552 -1.174260 -1.143515 -0.989110 -1.019883 -0.991101 -1.162775 -1.179504 -1.195351 -1.013927 -0.986703 1.825659 1.773595 1.825176 1.917329 1.940849 1.919418 1.804198 1.867926 1.864293 1.908197 1.912808 1.850672 -0.681396 -0.692279 -0.682493 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105.5146 -443.9696 -200.1942 -472.6030 Jun20-2024 08:40:53 Nodes: 1 Procs: 1 Jun20-2024 08:40:55 Nodes: 1 Procs: 1 0 Jun20-2024 08:40:58 Nodes: 1 Procs: 1 Jun20-2024 08:41:00 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 08:41:04 Nodes: 1 Procs: 1 Jun20-2024 08:41:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 08:41:07 Nodes: 1 Procs: 1 Jun20-2024 08:41:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 08:41:16 Nodes: 1 Procs: 5 *** (NO TITLE) *** -13 -16.87531351 -17.15842965 -17.22848156 -17.23755316 -17.29971005 -17.33071464 -17.34365729 -17.35007806 -17.35736319 -17.36110667 -17.36366321 -17.36586734 -17.36664273 -17.36685333 -17.36706104 -17.36719046 -17.36789062 -17.36781086 -17.36783725 -17.36784811 -17.36785802 -17.36783952 GEOMETRY CONVERGED