ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:34:05 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.06 1.75 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 Jun12-2024 02:34:05 Nodes: 1 Procs: 1 Jun12-2024 02:34:07 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:34:10 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.06 0.05 1.65 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 Jun12-2024 02:34:05 Nodes: 1 Procs: 1 Jun12-2024 02:34:07 Nodes: 1 Procs: 1 0 Jun12-2024 02:34:10 Nodes: 1 Procs: 1 Jun12-2024 02:34:12 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:34:15 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.51 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 Jun12-2024 02:34:05 Nodes: 1 Procs: 1 Jun12-2024 02:34:07 Nodes: 1 Procs: 1 0 Jun12-2024 02:34:10 Nodes: 1 Procs: 1 Jun12-2024 02:34:12 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 02:34:15 Nodes: 1 Procs: 1 Jun12-2024 02:34:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:34:19 Arsenic (TZP, 3p frozen) c10-50 c10-50 c10-50 c10-50 c10-50 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.05 2.26 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 Jun12-2024 02:34:05 Nodes: 1 Procs: 1 Jun12-2024 02:34:07 Nodes: 1 Procs: 1 0 Jun12-2024 02:34:10 Nodes: 1 Procs: 1 Jun12-2024 02:34:12 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 02:34:15 Nodes: 1 Procs: 1 Jun12-2024 02:34:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 02:34:19 Nodes: 1 Procs: 1 Jun12-2024 02:34:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 02:34:25 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2305.6775999999995 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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 Jun12-2024 02:34:21 1 1 Tungsten TZP 4d t21.Mo ADF 2019.304 Jun12-2024 02:34:12 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun12-2024 02:34:17 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun12-2024 02:34:07 1 1 Arsenic TZP 3p 1 1 -16.41056224 0.17661829 0.00100000 F 0.04739611 0.00066667 F 0.17661829 0.04739611 0.06226911 0.01000000 F 0.02119283 0.00666667 F Cartesian 2305.6775999999995 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-0.971095 -0.966846 Rho 0.3190152E+03 3,-3 15 3 -3 0.982436 0.979016 -0.984987 Rho 0.3190409E+03 3,-3 16 3 -3 -0.976798 0.985895 0.992242 Rho 0.3190403E+03 3,-3 17 3 -3 -3.024313 -1.193271 1.147063 Rho 0.3189696E+03 3,-3 18 3 -3 3.019354 -1.197523 -1.152919 Rho 0.3189586E+03 3,-3 19 3 -3 -3.004705 1.155436 -1.113283 Rho 0.3189454E+03 3,-3 20 3 -3 3.000333 1.155545 1.111814 Rho 0.3189409E+03 3,-3 21 3 -3 1.165656 -1.139817 -3.006745 Rho 0.3190413E+03 3,-3 22 3 -3 1.190262 1.156129 2.994181 Rho 0.3189516E+03 3,-3 23 3 -3 -1.185467 1.137550 -2.998006 Rho 0.3189518E+03 3,-3 24 3 -3 -1.154620 -1.119090 3.003087 Rho 0.3189427E+03 3,-3 25 3 -3 -1.133048 3.010468 -1.174464 Rho 0.3190422E+03 3,-3 26 3 -3 -1.142999 -2.996775 1.173657 Rho 0.3188708E+03 3,-3 27 3 -3 1.133651 3.029820 1.173307 Rho 0.3190583E+03 3,-3 28 3 -3 1.141058 -3.012862 -1.161450 Rho 0.3189417E+03 3,-3 29 3 -3 3.417463 -1.534709 1.477269 Rho 0.3189806E+03 3,-3 30 3 -3 -3.425422 -1.543680 -1.480570 Rho 0.3189823E+03 3,-3 31 3 -3 3.420183 1.538704 -1.528051 Rho 0.3191548E+03 3,-3 32 3 -3 -3.407376 1.542140 1.526339 Rho 0.3191400E+03 3,-3 33 3 -3 1.539001 -1.480572 3.402188 Rho 0.3189786E+03 3,-3 34 3 -3 1.533370 1.481538 -3.451956 Rho 0.3191358E+03 3,-3 35 3 -3 -1.538479 1.503742 3.455723 Rho 0.3191478E+03 3,-3 36 3 -3 -1.552917 -1.499163 -3.400861 Rho 0.3190546E+03 3,-3 37 3 -3 -1.496042 -3.426040 -1.526533 Rho 0.3190485E+03 3,-3 38 3 -3 -1.494729 3.426187 1.556550 Rho 0.3191225E+03 3,-3 39 3 -3 1.492828 -3.411087 1.540652 Rho 0.3189822E+03 3,-3 40 3 -3 1.503285 3.410638 -1.562273 Rho 0.3191207E+03 3,-3 41 3 -3 -0.217976 -3.673064 3.808936 Rho 0.3193971E+03 3,-3 42 3 -3 0.221116 -3.681623 -3.819648 Rho 0.3195434E+03 3,-3 43 3 -3 -0.195025 3.676413 -3.839015 Rho 0.3195501E+03 3,-3 44 3 -3 0.193921 3.684926 3.848690 Rho 0.3195481E+03 3,-3 45 3 -3 3.684986 -3.829869 -0.197930 Rho 0.3194000E+03 3,-3 46 3 -3 3.672282 3.814045 0.220491 Rho 0.3195429E+03 3,-3 47 3 -3 -3.670051 3.817677 -0.210807 Rho 0.3195442E+03 3,-3 48 3 -3 -3.687403 -3.832631 0.191456 Rho 0.3194007E+03 3,-3 49 3 -3 -3.816218 0.211005 -3.668538 Rho 0.3193990E+03 3,-3 50 3 -3 -3.821789 -0.222998 3.688519 Rho 0.3195448E+03 3,-3 51 3 -3 3.818236 0.207568 3.670204 Rho 0.3193998E+03 3,-3 52 3 -3 3.831452 -0.211945 -3.692646 Rho 0.3195468E+03 3,-3 53 3 -3 -0.005975 0.020179 -0.001979 Rho 0.4276078E+05 3,-3 54 3 +1 -1.664817 0.548607 -0.507963 Rho 0.9180424E-02 |GRAD(Rho)| 0.2446952E-16 GRAD(Rho)x -0.1682652E-16 GRAD(Rho)y 0.1341286E-16 GRAD(Rho)z -0.1164992E-16 Laplacian 0.3547761E-01 (-1/4)Del**2(Rho)) -0.8869402E-02 Diamond 0.1032166E-02 Metallicity 0.7818019E+00 Ellipticity -0.1477969E+01 Gb(Abramov) 0.7068621E-02 Vb(Abramov) -0.5267839E-02 Hb(Abramov) 0.1800782E-02 Ex_ueg -0.1419718E-02 Ec_ueg -0.3310241E-03 Delta_ex -0.1645506E-02 Delta_ec 0.4950337E-03 Delta_et -0.3444043E-02 Pxc 0.4288866E+01 Qxc -0.3324029E+01 3,+1 55 3 +1 -1.039669 -2.160820 -1.425111 Rho 0.2690692E-01 |GRAD(Rho)| 0.7795574E-16 GRAD(Rho)x -0.3459846E-17 GRAD(Rho)y -0.7186654E-16 GRAD(Rho)z -0.3000547E-16 Laplacian 0.1065530E+00 (-1/4)Del**2(Rho)) -0.2663826E-01 Diamond 0.1430328E-01 Metallicity 0.1562503E+01 Ellipticity -0.2776931E+01 Gb(Abramov) 0.2469590E-01 Vb(Abramov) -0.2275353E-01 Hb(Abramov) 0.1942362E-02 Ex_ueg -0.5954844E-02 Ec_ueg -0.1185196E-02 Delta_ex -0.6648729E-02 Delta_ec 0.1611721E-02 Delta_et -0.1451844E-01 Pxc 0.5024355E+01 Qxc -0.4125236E+01 3,+1 56 3 -1 -3.021623 -0.871157 -1.937895 Rho 0.1453546E+00 |GRAD(Rho)| 0.4214664E-12 GRAD(Rho)x 0.1380243E-12 GRAD(Rho)y 0.3187162E-12 GRAD(Rho)z -0.2387534E-12 Laplacian 0.5733105E+00 (-1/4)Del**2(Rho)) -0.1433276E+00 Diamond 0.1122424E+01 Metallicity 0.4829897E+01 Ellipticity 0.4245488E-01 Gb(Abramov) 0.2109280E+00 Vb(Abramov) -0.2785284E+00 Hb(Abramov) -0.6760041E-01 Ex_ueg -0.5644473E-01 Ec_ueg -0.8146808E-02 Delta_ex -0.6113320E-01 Delta_ec 0.1472827E-01 Delta_et -0.1953405E+00 Pxc 0.6928448E+01 Qxc -0.4150739E+01 3,-1 57 3 +1 0.509871 -1.667688 -0.545531 Rho 0.8578589E-02 |GRAD(Rho)| 0.2589598E-13 GRAD(Rho)x -0.6876588E-14 GRAD(Rho)y -0.9095740E-14 GRAD(Rho)z -0.2325041E-13 Laplacian 0.3357455E-01 (-1/4)Del**2(Rho)) -0.8393637E-02 Diamond 0.9002087E-03 Metallicity 0.7378410E+00 Ellipticity -0.1446544E+01 Gb(Abramov) 0.6627953E-02 Vb(Abramov) -0.4862269E-02 Hb(Abramov) 0.1765684E-02 Ex_ueg -0.1296999E-02 Ec_ueg -0.3040222E-03 Delta_ex -0.1535000E-02 Delta_ec 0.4762888E-03 Delta_et -0.3250205E-02 Pxc 0.4266131E+01 Qxc -0.3222834E+01 3,+1 58 3 +1 -2.181786 -1.288206 -1.161054 Rho 0.2928945E-01 |GRAD(Rho)| 0.4808401E-14 GRAD(Rho)x -0.3669097E-14 GRAD(Rho)y -0.3040676E-14 GRAD(Rho)z 0.6424435E-15 Laplacian 0.1196195E+00 (-1/4)Del**2(Rho)) -0.2990487E-01 Diamond 0.2071921E-01 Metallicity 0.1603233E+01 Ellipticity -0.6909643E+01 Gb(Abramov) 0.2792732E-01 Vb(Abramov) -0.2594978E-01 Hb(Abramov) 0.1977543E-02 Ex_ueg -0.6668069E-02 Ec_ueg -0.1307015E-02 Delta_ex -0.7873632E-02 Delta_ec 0.2227822E-02 Delta_et -0.2040962E-01 Pxc 0.5101754E+01 Qxc -0.3534228E+01 3,+1 59 3 -1 -0.481795 -0.456696 -0.466048 Rho 0.1855034E+00 |GRAD(Rho)| 0.7750934E-14 GRAD(Rho)x -0.7077672E-15 GRAD(Rho)y -0.3816392E-15 GRAD(Rho)z 0.7709111E-14 Laplacian 0.5106416E+00 (-1/4)Del**2(Rho)) -0.1276604E+00 Diamond 0.1361614E+01 Metallicity 0.8142356E+01 Ellipticity 0.2135888E-02 Gb(Abramov) 0.2583497E+00 Vb(Abramov) -0.3890389E+00 Hb(Abramov) -0.1306893E+00 Ex_ueg -0.7813655E-01 Ec_ueg -0.1075380E-01 Delta_ex -0.5801537E-01 Delta_ec 0.1261707E-01 Delta_et -0.1733678E+00 Pxc 0.7265946E+01 Qxc -0.4598163E+01 3,-1 60 3 +1 -2.905391 -0.153185 -0.115255 Rho 0.5435594E-02 |GRAD(Rho)| 0.2835243E-17 GRAD(Rho)x 0.1337304E-17 GRAD(Rho)y -0.2464293E-17 GRAD(Rho)z 0.4212792E-18 Laplacian 0.2217556E-01 (-1/4)Del**2(Rho)) -0.5543890E-02 Diamond 0.5868134E-03 Metallicity 0.5221760E+00 Ellipticity -0.4582510E+01 Gb(Abramov) 0.4178408E-02 Vb(Abramov) -0.2812926E-02 Hb(Abramov) 0.1365482E-02 Ex_ueg -0.7058532E-03 Ec_ueg -0.1657061E-03 Delta_ex -0.1127389E-02 Delta_ec 0.7104616E-03 Delta_et -0.3951460E-02 Pxc 0.4259670E+01 Qxc -0.1586840E+01 3,+1 61 3 +1 -1.743537 1.749623 -1.731683 Rho 0.1194768E-01 |GRAD(Rho)| 0.8488427E-12 GRAD(Rho)x 0.9542092E-13 GRAD(Rho)y -0.6991337E-12 GRAD(Rho)z -0.4718483E-12 Laplacian 0.5984721E-01 (-1/4)Del**2(Rho)) -0.1496180E-01 Diamond 0.2385909E-02 Metallicity 0.7189658E+00 Ellipticity -0.1252359E+01 Gb(Abramov) 0.1176737E-01 Vb(Abramov) -0.8572943E-02 Hb(Abramov) 0.3194430E-02 Ex_ueg -0.2017265E-02 Ec_ueg -0.4571541E-03 Delta_ex -0.2938991E-02 Delta_ec 0.7779315E-03 Delta_et -0.5826099E-02 Pxc 0.4412659E+01 Qxc -0.3777955E+01 3,+1 62 3 -1 -3.110418 3.267195 -0.067157 Rho 0.2403978E+00 |GRAD(Rho)| 0.8715301E-14 GRAD(Rho)x 0.3845015E-14 GRAD(Rho)y -0.6843213E-14 GRAD(Rho)z 0.3787186E-14 Laplacian 0.8630783E+00 (-1/4)Del**2(Rho)) -0.2157696E+00 Diamond 0.3069859E+01 Metallicity 0.7420738E+01 Ellipticity 0.2525133E-02 Gb(Abramov) 0.4107080E+00 Vb(Abramov) -0.6056463E+00 Hb(Abramov) -0.1949384E+00 Ex_ueg -0.1103974E+00 Ec_ueg -0.1446662E-01 Delta_ex -0.1043826E+00 Delta_ec 0.1916398E-01 Delta_et -0.2659439E+00 Pxc 0.7631186E+01 Qxc -0.5446809E+01 3,-1 63 3 +1 0.544978 0.540178 1.663664 Rho 0.8726215E-02 |GRAD(Rho)| 0.1296919E-16 GRAD(Rho)x -0.6169269E-17 GRAD(Rho)y -0.1995616E-17 GRAD(Rho)z -0.1123199E-16 Laplacian 0.3393156E-01 (-1/4)Del**2(Rho)) -0.8482889E-02 Diamond 0.9366299E-03 Metallicity 0.7511372E+00 Ellipticity -0.1468066E+01 Gb(Abramov) 0.6717229E-02 Vb(Abramov) -0.4951568E-02 Hb(Abramov) 0.1765661E-02 Ex_ueg -0.1326843E-02 Ec_ueg -0.3106309E-03 Delta_ex -0.1560438E-02 Delta_ec 0.4856501E-03 Delta_et -0.3325236E-02 Pxc 0.4271447E+01 Qxc -0.3213090E+01 3,+1 64 3 -1 -2.909897 -0.066112 -0.029764 Rho 0.5441262E-02 |GRAD(Rho)| 0.5772837E-17 GRAD(Rho)x 0.9295277E-18 GRAD(Rho)y -0.4080853E-17 GRAD(Rho)z 0.3975961E-17 Laplacian 0.2185761E-01 (-1/4)Del**2(Rho)) -0.5464403E-02 Diamond 0.6460430E-03 Metallicity 0.5306928E+00 Ellipticity 0.4240803E+01 Gb(Abramov) 0.4126255E-02 Vb(Abramov) -0.2788108E-02 Hb(Abramov) 0.1338148E-02 Ex_ueg -0.7068348E-03 Ec_ueg -0.1659513E-03 Delta_ex -0.1166890E-02 Delta_ec 0.7992583E-03 Delta_et -0.4407792E-02 Pxc 0.4259292E+01 Qxc -0.1459966E+01 3,-1 65 3 +1 -2.906930 0.183768 0.213010 Rho 0.5346579E-02 |GRAD(Rho)| 0.4071362E-14 GRAD(Rho)x -0.2920419E-15 GRAD(Rho)y 0.2467219E-14 GRAD(Rho)z 0.3225450E-14 Laplacian 0.2218803E-01 (-1/4)Del**2(Rho)) -0.5547009E-02 Diamond 0.5206161E-03 Metallicity 0.5077162E+00 Ellipticity -0.2194714E+01 Gb(Abramov) 0.4167390E-02 Vb(Abramov) -0.2787771E-02 Hb(Abramov) 0.1379619E-02 Ex_ueg -0.6904831E-03 Ec_ueg -0.1618579E-03 Delta_ex -0.1078872E-02 Delta_ec 0.6295447E-03 Delta_et -0.3516147E-02 Pxc 0.4265984E+01 Qxc -0.1713733E+01 3,+1 66 3 +1 -1.753937 -1.734268 1.751201 Rho 0.1212933E-01 |GRAD(Rho)| 0.2208770E-14 GRAD(Rho)x 0.1505467E-14 GRAD(Rho)y -0.7211075E-15 GRAD(Rho)z -0.1446458E-14 Laplacian 0.6095211E-01 (-1/4)Del**2(Rho)) -0.1523803E-01 Diamond 0.2471375E-02 Metallicity 0.7239123E+00 Ellipticity -0.1248161E+01 Gb(Abramov) 0.1199718E-01 Vb(Abramov) -0.8756341E-02 Hb(Abramov) 0.3240843E-02 Ex_ueg -0.2058263E-02 Ec_ueg -0.4655428E-03 Delta_ex -0.3002512E-02 Delta_ec 0.7875156E-03 Delta_et -0.5923333E-02 Pxc 0.4421212E+01 Qxc -0.3812639E+01 3,+1 67 3 +1 -0.528716 -0.517718 1.662707 Rho 0.8973270E-02 |GRAD(Rho)| 0.2560616E-13 GRAD(Rho)x 0.1048902E-13 GRAD(Rho)y -0.1799203E-13 GRAD(Rho)z -0.1489773E-13 Laplacian 0.3492524E-01 (-1/4)Del**2(Rho)) -0.8731311E-02 Diamond 0.9877599E-03 Metallicity 0.7645249E+00 Ellipticity -0.1463174E+01 Gb(Abramov) 0.6933425E-02 Vb(Abramov) -0.5135538E-02 Hb(Abramov) 0.1797886E-02 Ex_ueg -0.1377165E-02 Ec_ueg -0.3217120E-03 Delta_ex -0.1611693E-02 Delta_ec 0.4894628E-03 Delta_et -0.3383750E-02 Pxc 0.4280739E+01 Qxc -0.3292779E+01 3,+1 68 3 -1 -3.274988 -0.075526 3.126701 Rho 0.2407322E+00 |GRAD(Rho)| 0.1897194E-12 GRAD(Rho)x 0.1293929E-12 GRAD(Rho)y 0.3697201E-13 GRAD(Rho)z -0.1337311E-12 Laplacian 0.8616448E+00 (-1/4)Del**2(Rho)) -0.2154112E+00 Diamond 0.3072133E+01 Metallicity 0.7450327E+01 Ellipticity 0.9687521E-03 Gb(Abramov) 0.4110881E+00 Vb(Abramov) -0.6067650E+00 Hb(Abramov) -0.1956769E+00 Ex_ueg -0.1106023E+00 Ec_ueg -0.1448975E-01 Delta_ex -0.1042589E+00 Delta_ec 0.1914549E-01 Delta_et -0.2657940E+00 Pxc 0.7633141E+01 Qxc -0.5445611E+01 3,-1 69 3 -1 -3.260203 0.065344 -3.124306 Rho 0.2516418E+00 |GRAD(Rho)| 0.3269088E-15 GRAD(Rho)x 0.3350185E-16 GRAD(Rho)y 0.4797595E-17 GRAD(Rho)z -0.3251522E-15 Laplacian 0.9191741E+00 (-1/4)Del**2(Rho)) -0.2297935E+00 Diamond 0.3425371E+01 Metallicity 0.7519459E+01 Ellipticity 0.2508304E-02 Gb(Abramov) 0.4411829E+00 Vb(Abramov) -0.6525722E+00 Hb(Abramov) -0.2113893E+00 Ex_ueg -0.1173353E+00 Ec_ueg -0.1524758E-01 Delta_ex -0.1123599E+00 Delta_ec 0.1987386E-01 Delta_et -0.2749669E+00 Pxc 0.7695337E+01 Qxc -0.5653654E+01 3,-1 70 3 +3 -1.103370 1.134722 -1.115657 Rho 0.5285247E-02 |GRAD(Rho)| 0.4152955E-16 GRAD(Rho)x 0.1459094E-16 GRAD(Rho)y -0.3875287E-16 GRAD(Rho)z -0.3165923E-17 Laplacian 0.2039752E-01 (-1/4)Del**2(Rho)) -0.5099380E-02 Diamond 0.1505134E-03 Metallicity 0.5417654E+00 Ellipticity -0.7424590E-01 Gb(Abramov) 0.3860031E-02 Vb(Abramov) -0.2620683E-02 Hb(Abramov) 0.1239349E-02 Ex_ueg -0.6799424E-03 Ec_ueg -0.1592087E-03 Delta_ex -0.7129340E-03 Delta_ec 0.8495071E-04 Delta_et -0.6929714E-03 Pxc 0.4270761E+01 Qxc -0.8392325E+01 3,+3 71 3 -1 -2.799814 0.569009 -1.748451 Rho 0.1535471E+00 |GRAD(Rho)| 0.1944371E-15 GRAD(Rho)x -0.1157725E-15 GRAD(Rho)y 0.6995815E-16 GRAD(Rho)z -0.1396723E-15 Laplacian 0.6436738E+00 (-1/4)Del**2(Rho)) -0.1609184E+00 Diamond 0.1334058E+01 Metallicity 0.4713573E+01 Ellipticity 0.1611577E-01 Gb(Abramov) 0.2336958E+00 Vb(Abramov) -0.3064731E+00 Hb(Abramov) -0.7277731E-01 Ex_ueg -0.6072591E-01 Ec_ueg -0.8670967E-02 Delta_ex -0.6945115E-01 Delta_ec 0.1610763E-01 Delta_et -0.2148048E+00 Pxc 0.7003360E+01 Qxc -0.4311692E+01 3,-1 72 3 -1 -1.845066 0.553847 -2.740807 Rho 0.1346285E+00 |GRAD(Rho)| 0.1806944E-12 GRAD(Rho)x -0.1378523E-12 GRAD(Rho)y -0.1118070E-12 GRAD(Rho)z 0.3385883E-13 Laplacian 0.5640793E+00 (-1/4)Del**2(Rho)) -0.1410198E+00 Diamond 0.1007829E+01 Metallicity 0.4320177E+01 Ellipticity 0.1160758E-01 Gb(Abramov) 0.1955516E+00 Vb(Abramov) -0.2500835E+00 Hb(Abramov) -0.5453182E-01 Ex_ueg -0.5096060E-01 Ec_ueg -0.7466904E-02 Delta_ex -0.5904480E-01 Delta_ec 0.1477665E-01 Delta_et -0.1937403E+00 Pxc 0.6824864E+01 Qxc -0.3995817E+01 3,-1 73 3 -1 -3.027803 0.861787 1.964310 Rho 0.1522571E+00 |GRAD(Rho)| 0.1623437E-15 GRAD(Rho)x 0.9492190E-16 GRAD(Rho)y 0.9271284E-16 GRAD(Rho)z -0.9353954E-16 Laplacian 0.5912834E+00 (-1/4)Del**2(Rho)) -0.1478208E+00 Diamond 0.1209640E+01 Metallicity 0.5059569E+01 Ellipticity 0.7045038E-01 Gb(Abramov) 0.2231989E+00 Vb(Abramov) -0.2985769E+00 Hb(Abramov) -0.7537802E-01 Ex_ueg -0.6004662E-01 Ec_ueg -0.8588159E-02 Delta_ex -0.6363163E-01 Delta_ec 0.1476725E-01 Delta_et -0.1965637E+00 Pxc 0.6991792E+01 Qxc -0.4308969E+01 3,-1 74 3 -1 -3.143287 -3.278419 0.040634 Rho 0.2520846E+00 |GRAD(Rho)| 0.2237318E-13 GRAD(Rho)x -0.1608284E-13 GRAD(Rho)y 0.1627821E-14 GRAD(Rho)z 0.1546777E-13 Laplacian 0.9187591E+00 (-1/4)Del**2(Rho)) -0.2296898E+00 Diamond 0.3432875E+01 Metallicity 0.7544933E+01 Ellipticity 0.1374996E-02 Gb(Abramov) 0.4419588E+00 Vb(Abramov) -0.6542279E+00 Hb(Abramov) -0.2122691E+00 Ex_ueg -0.1176107E+00 Ec_ueg -0.1527848E-01 Delta_ex -0.1123700E+00 Delta_ec 0.1987020E-01 Delta_et -0.2750002E+00 Pxc 0.7697799E+01 Qxc -0.5655204E+01 3,-1 75 3 -1 -2.733284 1.850410 -0.538610 Rho 0.1180099E+00 |GRAD(Rho)| 0.1598750E-15 GRAD(Rho)x 0.1451476E-15 GRAD(Rho)y 0.4377466E-16 GRAD(Rho)z -0.5075421E-16 Laplacian 0.4904400E+00 (-1/4)Del**2(Rho)) -0.1226100E+00 Diamond 0.7384441E+00 Metallicity 0.3989251E+01 Ellipticity 0.5234864E-02 Gb(Abramov) 0.1632603E+00 Vb(Abramov) -0.2039107E+00 Hb(Abramov) -0.4065034E-01 Ex_ueg -0.4275067E-01 Ec_ueg -0.6428390E-02 Delta_ex -0.4961006E-01 Delta_ec 0.1302145E-01 Delta_et -0.1666192E+00 Pxc 0.6650292E+01 Qxc -0.3809871E+01 3,-1 76 3 -1 -2.941020 2.045382 0.844143 Rho 0.1089382E+00 |GRAD(Rho)| 0.2603804E-15 GRAD(Rho)x -0.1519509E-15 GRAD(Rho)y 0.2113957E-15 GRAD(Rho)z 0.4553649E-17 Laplacian 0.4205735E+00 (-1/4)Del**2(Rho)) -0.1051434E+00 Diamond 0.5787805E+00 Metallicity 0.4071349E+01 Ellipticity 0.2264867E-01 Gb(Abramov) 0.1414415E+00 Vb(Abramov) -0.1777396E+00 Hb(Abramov) -0.3629811E-01 Ex_ueg -0.3842602E-01 Ec_ueg -0.5869607E-02 Delta_ex -0.4179834E-01 Delta_ec 0.1147386E-01 Delta_et -0.1448601E+00 Pxc 0.6546608E+01 Qxc -0.3642921E+01 3,-1 77 3 +1 0.529667 1.685241 0.543854 Rho 0.8636819E-02 |GRAD(Rho)| 0.8082341E-17 GRAD(Rho)x -0.1799042E-17 GRAD(Rho)y -0.3193109E-17 GRAD(Rho)z -0.7203592E-17 Laplacian 0.3310325E-01 (-1/4)Del**2(Rho)) -0.8275812E-02 Diamond 0.9089473E-03 Metallicity 0.7568310E+00 Ellipticity -0.1492264E+01 Gb(Abramov) 0.6561107E-02 Vb(Abramov) -0.4846401E-02 Hb(Abramov) 0.1714706E-02 Ex_ueg -0.1308750E-02 Ec_ueg -0.3066278E-03 Delta_ex -0.1521937E-02 Delta_ec 0.4801258E-03 Delta_et -0.3273635E-02 Pxc 0.4268205E+01 Qxc -0.3169871E+01 3,+1 78 3 +1 -1.685121 -0.526905 0.548954 Rho 0.8517178E-02 |GRAD(Rho)| 0.1162157E-16 GRAD(Rho)x 0.3923827E-17 GRAD(Rho)y 0.2658027E-17 GRAD(Rho)z -0.1061128E-16 Laplacian 0.3307450E-01 (-1/4)Del**2(Rho)) -0.8268625E-02 Diamond 0.8795438E-03 Metallicity 0.7400812E+00 Ellipticity -0.1454677E+01 Gb(Abramov) 0.6532326E-02 Vb(Abramov) -0.4796027E-02 Hb(Abramov) 0.1736299E-02 Ex_ueg -0.1284634E-02 Ec_ueg -0.3012760E-03 Delta_ex -0.1510026E-02 Delta_ec 0.4703209E-03 Delta_et -0.3202632E-02 Pxc 0.4263977E+01 Qxc -0.3210630E+01 3,+1 79 3 -1 -2.826889 -0.590278 1.771750 Rho 0.1491317E+00 |GRAD(Rho)| 0.1839512E-15 GRAD(Rho)x 0.2547536E-16 GRAD(Rho)y -0.1682953E-15 GRAD(Rho)z -0.6975486E-16 Laplacian 0.6277655E+00 (-1/4)Del**2(Rho)) -0.1569414E+00 Diamond 0.1240630E+01 Metallicity 0.4603613E+01 Ellipticity 0.2646981E-01 Gb(Abramov) 0.2250438E+00 Vb(Abramov) -0.2931463E+00 Hb(Abramov) -0.6810244E-01 Ex_ueg -0.5840879E-01 Ec_ueg -0.8387951E-02 Delta_ex -0.6709215E-01 Delta_ec 0.1554403E-01 Delta_et -0.2058236E+00 Pxc 0.6963416E+01 Qxc -0.4316265E+01 3,-1 80 3 +1 -0.170993 -2.902702 -0.172185 Rho 0.5346683E-02 |GRAD(Rho)| 0.1243098E-14 GRAD(Rho)x -0.9680237E-15 GRAD(Rho)y -0.9872315E-16 GRAD(Rho)z -0.7736129E-15 Laplacian 0.2206125E-01 (-1/4)Del**2(Rho)) -0.5515313E-02 Diamond 0.5323619E-03 Metallicity 0.5106504E+00 Ellipticity -0.2474183E+01 Gb(Abramov) 0.4146275E-02 Vb(Abramov) -0.2777237E-02 Hb(Abramov) 0.1369038E-02 Ex_ueg -0.6905010E-03 Ec_ueg -0.1618624E-03 Delta_ex -0.1085200E-02 Delta_ec 0.6482451E-03 Delta_et -0.3610689E-02 Pxc 0.4265976E+01 Qxc -0.1674058E+01 3,+1 81 3 +1 -0.178744 2.913262 0.188260 Rho 0.5267714E-02 |GRAD(Rho)| 0.6456572E-13 GRAD(Rho)x -0.5183046E-14 GRAD(Rho)y 0.6411140E-13 GRAD(Rho)z 0.5621097E-14 Laplacian 0.2173977E-01 (-1/4)Del**2(Rho)) -0.5434943E-02 Diamond 0.5139732E-03 Metallicity 0.5055085E+00 Ellipticity -0.2433616E+01 Gb(Abramov) 0.4081197E-02 Vb(Abramov) -0.2727451E-02 Hb(Abramov) 0.1353746E-02 Ex_ueg -0.6769366E-03 Ec_ueg -0.1584518E-03 Delta_ex -0.1066017E-02 Delta_ec 0.6384387E-03 Delta_et -0.3540503E-02 Pxc 0.4272193E+01 Qxc -0.1669725E+01 3,+1 82 3 -1 -2.032965 -0.843481 -2.951689 Rho 0.1328402E+00 |GRAD(Rho)| 0.2407355E-09 GRAD(Rho)x 0.1316062E-09 GRAD(Rho)y -0.1700821E-09 GRAD(Rho)z -0.1081917E-09 Laplacian 0.5208274E+00 (-1/4)Del**2(Rho)) -0.1302069E+00 Diamond 0.9170592E+00 Metallicity 0.4575815E+01 Ellipticity 0.2843353E-01 Gb(Abramov) 0.1861050E+00 Vb(Abramov) -0.2420031E+00 Hb(Abramov) -0.5589812E-01 Ex_ueg -0.5006002E-01 Ec_ueg -0.7354262E-02 Delta_ex -0.5435715E-01 Delta_ec 0.1371548E-01 Delta_et -0.1794983E+00 Pxc 0.6806939E+01 Qxc -0.3963198E+01 3,-1 83 3 +3 -2.331767 0.006398 0.047288 Rho 0.4710024E-02 |GRAD(Rho)| 0.4079442E-16 GRAD(Rho)x 0.2825476E-16 GRAD(Rho)y 0.2173522E-16 GRAD(Rho)z 0.1983516E-16 Laplacian 0.1922563E-01 (-1/4)Del**2(Rho)) -0.4806409E-02 Diamond 0.1770188E-03 Metallicity 0.4743559E+00 Ellipticity -0.3354852E+00 Gb(Abramov) 0.3584264E-02 Vb(Abramov) -0.2362119E-02 Hb(Abramov) 0.1222145E-02 Ex_ueg -0.5831082E-03 Ec_ueg -0.1344553E-03 Delta_ex -0.7069279E-03 Delta_ec 0.1803895E-03 Delta_et -0.1135123E-02 Pxc 0.4336817E+01 Qxc -0.3918896E+01 3,+3 84 3 +1 -0.177473 0.205062 2.893155 Rho 0.5301946E-02 |GRAD(Rho)| 0.1433094E-16 GRAD(Rho)x -0.1325171E-16 GRAD(Rho)y -0.5279014E-17 GRAD(Rho)z 0.1378436E-17 Laplacian 0.2194814E-01 (-1/4)Del**2(Rho)) -0.5487035E-02 Diamond 0.5102555E-03 Metallicity 0.5061442E+00 Ellipticity -0.2233003E+01 Gb(Abramov) 0.4120895E-02 Vb(Abramov) -0.2754755E-02 Hb(Abramov) 0.1366140E-02 Ex_ueg -0.6828083E-03 Ec_ueg -0.1599298E-03 Delta_ex -0.1066302E-02 Delta_ec 0.6243415E-03 Delta_et -0.3477714E-02 Pxc 0.4269424E+01 Qxc -0.1707882E+01 3,+1 85 3 -1 -1.855991 -0.543224 2.738708 Rho 0.1160018E+00 |GRAD(Rho)| 0.5052964E-12 GRAD(Rho)x 0.3581689E-12 GRAD(Rho)y -0.3385392E-12 GRAD(Rho)z 0.1114930E-12 Laplacian 0.4826624E+00 (-1/4)Del**2(Rho)) -0.1206656E+00 Diamond 0.7117477E+00 Metallicity 0.3939229E+01 Ellipticity 0.5702522E-02 Gb(Abramov) 0.1596653E+00 Vb(Abramov) -0.1986650E+00 Hb(Abramov) -0.3899970E-01 Ex_ueg -0.4178351E-01 Ec_ueg -0.6304191E-02 Delta_ex -0.4862210E-01 Delta_ec 0.1286287E-01 Delta_et -0.1640895E+00 Pxc 0.6627895E+01 Qxc -0.3780036E+01 3,-1 86 3 -1 -1.759284 -0.528017 -1.687812 Rho 0.4923018E-01 |GRAD(Rho)| 0.4851320E-16 GRAD(Rho)x 0.8404684E-17 GRAD(Rho)y 0.3463306E-16 GRAD(Rho)z -0.3291570E-16 Laplacian 0.2006076E+00 (-1/4)Del**2(Rho)) -0.5015189E-01 Diamond 0.9864115E-01 Metallicity 0.2271529E+01 Ellipticity 0.1177558E-01 Gb(Abramov) 0.5242150E-01 Vb(Abramov) -0.5469111E-01 Hb(Abramov) -0.2269611E-02 Ex_ueg -0.1332581E-01 Ec_ueg -0.2372365E-02 Delta_ex -0.1640725E-01 Delta_ec 0.5904966E-02 Delta_et -0.6199481E-01 Pxc 0.5617098E+01 Qxc -0.2778551E+01 3,-1 87 3 +3 -1.132887 -1.096330 1.100841 Rho 0.5153904E-02 |GRAD(Rho)| 0.1099338E-13 GRAD(Rho)x -0.8941466E-14 GRAD(Rho)y -0.4498164E-14 GRAD(Rho)z 0.4546544E-14 Laplacian 0.2010836E-01 (-1/4)Del**2(Rho)) -0.5027090E-02 Diamond 0.1462947E-03 Metallicity 0.5269835E+00 Ellipticity -0.3250279E-01 Gb(Abramov) 0.3792926E-02 Vb(Abramov) -0.2558761E-02 Hb(Abramov) 0.1234164E-02 Ex_ueg -0.6575066E-03 Ec_ueg -0.1535419E-03 Delta_ex -0.7005320E-03 Delta_ec 0.8844363E-04 Delta_et -0.7041974E-03 Pxc 0.4282262E+01 Qxc -0.7920661E+01 3,+3 88 3 +1 -0.145012 -0.137526 -2.890696 Rho 0.5249197E-02 |GRAD(Rho)| 0.1874860E-15 GRAD(Rho)x -0.9436848E-16 GRAD(Rho)y -0.1603265E-15 GRAD(Rho)z -0.2325971E-16 Laplacian 0.2156040E-01 (-1/4)Del**2(Rho)) -0.5390101E-02 Diamond 0.5511640E-03 Metallicity 0.5067313E+00 Ellipticity -0.4268429E+01 Gb(Abramov) 0.4048623E-02 Vb(Abramov) -0.2707145E-02 Hb(Abramov) 0.1341478E-02 Ex_ueg -0.6737657E-03 Ec_ueg -0.1576525E-03 Delta_ex -0.1094634E-02 Delta_ec 0.7012893E-03 Delta_et -0.3855606E-02 Pxc 0.4273740E+01 Qxc -0.1560887E+01 3,+1 89 3 -1 -1.953780 -3.034088 -0.878821 Rho 0.1620633E+00 |GRAD(Rho)| 0.1219674E-14 GRAD(Rho)x -0.8956052E-15 GRAD(Rho)y 0.4485886E-16 GRAD(Rho)z 0.8267313E-15 Laplacian 0.6368295E+00 (-1/4)Del**2(Rho)) -0.1592074E+00 Diamond 0.1417624E+01 Metallicity 0.5212721E+01 Ellipticity 0.5615653E-01 Gb(Abramov) 0.2444555E+00 Vb(Abramov) -0.3297037E+00 Hb(Abramov) -0.8524814E-01 Ex_ueg -0.6525763E-01 Ec_ueg -0.9220159E-02 Delta_ex -0.6972213E-01 Delta_ec 0.1587007E-01 Delta_et -0.2134952E+00 Pxc 0.7077712E+01 Qxc -0.4393309E+01 3,-1 90 3 -1 -1.774957 -2.805238 0.562658 Rho 0.1455824E+00 |GRAD(Rho)| 0.3068366E-13 GRAD(Rho)x -0.2185494E-13 GRAD(Rho)y 0.2042166E-14 GRAD(Rho)z -0.2144011E-13 Laplacian 0.6140103E+00 (-1/4)Del**2(Rho)) -0.1535026E+00 Diamond 0.1198412E+01 Metallicity 0.4521530E+01 Ellipticity 0.1220210E-01 Gb(Abramov) 0.2180128E+00 Vb(Abramov) -0.2825230E+00 Hb(Abramov) -0.6451022E-01 Ex_ueg -0.5656269E-01 Ec_ueg -0.8161323E-02 Delta_ex -0.6543643E-01 Delta_ec 0.1565754E-01 Delta_et -0.2074705E+00 Pxc 0.6930578E+01 Qxc -0.4179227E+01 3,-1 91 3 +1 -1.103022 -1.350585 -2.161678 Rho 0.2808144E-01 |GRAD(Rho)| 0.5422179E-16 GRAD(Rho)x 0.2686656E-16 GRAD(Rho)y 0.2394050E-16 GRAD(Rho)z 0.4055913E-16 Laplacian 0.1134805E+00 (-1/4)Del**2(Rho)) -0.2837012E-01 Diamond 0.1769918E-01 Metallicity 0.1575400E+01 Ellipticity -0.4218302E+01 Gb(Abramov) 0.2636246E-01 Vb(Abramov) -0.2435480E-01 Hb(Abramov) 0.2007658E-02 Ex_ueg -0.6303922E-02 Ec_ueg -0.1245077E-02 Delta_ex -0.7307352E-02 Delta_ec 0.1972258E-02 Delta_et -0.1789988E-01 Pxc 0.5063078E+01 Qxc -0.3705069E+01 3,+1 92 3 +1 1.747383 -1.750999 -1.755180 Rho 0.1196391E-01 |GRAD(Rho)| 0.1726295E-11 GRAD(Rho)x -0.8821443E-12 GRAD(Rho)y -0.1419006E-11 GRAD(Rho)z -0.4339783E-12 Laplacian 0.6003440E-01 (-1/4)Del**2(Rho)) -0.1500860E-01 Diamond 0.2399255E-02 Metallicity 0.7183480E+00 Ellipticity -0.1248899E+01 Gb(Abramov) 0.1180263E-01 Vb(Abramov) -0.8596666E-02 Hb(Abramov) 0.3205967E-02 Ex_ueg -0.2020921E-02 Ec_ueg -0.4579033E-03 Delta_ex -0.2949651E-02 Delta_ec 0.7811015E-03 Delta_et -0.5851218E-02 Pxc 0.4413423E+01 Qxc -0.3776272E+01 3,+1 93 3 +1 -0.533794 -1.657512 0.532234 Rho 0.8812976E-02 |GRAD(Rho)| 0.1278327E-16 GRAD(Rho)x -0.1220788E-16 GRAD(Rho)y -0.3789725E-17 GRAD(Rho)z -0.1329246E-18 Laplacian 0.3466719E-01 (-1/4)Del**2(Rho)) -0.8666797E-02 Diamond 0.9508626E-03 Metallicity 0.7474214E+00 Ellipticity -0.1436397E+01 Gb(Abramov) 0.6857489E-02 Vb(Abramov) -0.5048182E-02 Hb(Abramov) 0.1809307E-02 Ex_ueg -0.1344462E-02 Ec_ueg -0.3145193E-03 Delta_ex -0.1589947E-02 Delta_ec 0.4813347E-03 Delta_et -0.3315875E-02 Pxc 0.4274656E+01 Qxc -0.3303204E+01 3,+1 94 3 -1 -1.710592 -1.757955 -0.540551 Rho 0.4766028E-01 |GRAD(Rho)| 0.4449797E-15 GRAD(Rho)x -0.2625802E-15 GRAD(Rho)y -0.3296004E-15 GRAD(Rho)z 0.1429059E-15 Laplacian 0.1945973E+00 (-1/4)Del**2(Rho)) -0.4864932E-01 Diamond 0.9150929E-01 Metallicity 0.2218557E+01 Ellipticity 0.1349949E-01 Gb(Abramov) 0.5042143E-01 Vb(Abramov) -0.5219354E-01 Hb(Abramov) -0.1772111E-02 Ex_ueg -0.1276225E-01 Ec_ueg -0.2285957E-02 Delta_ex -0.1578394E-01 Delta_ec 0.5725211E-02 Delta_et -0.5959931E-01 Pxc 0.5582891E+01 Qxc -0.2756919E+01 3,-1 95 3 +3 0.002550 2.336854 0.003730 Rho 0.4616054E-02 |GRAD(Rho)| 0.2951755E-15 GRAD(Rho)x -0.6796007E-16 GRAD(Rho)y 0.2835899E-15 GRAD(Rho)z 0.4568113E-16 Laplacian 0.1872854E-01 (-1/4)Del**2(Rho)) -0.4682136E-02 Diamond 0.1704945E-03 Metallicity 0.4708623E+00 Ellipticity -0.3591623E+00 Gb(Abramov) 0.3488864E-02 Vb(Abramov) -0.2295592E-02 Hb(Abramov) 0.1193272E-02 Ex_ueg -0.5676485E-03 Ec_ueg -0.1304276E-03 Delta_ex -0.6879112E-03 Delta_ec 0.1807165E-03 Delta_et -0.1124852E-02 Pxc 0.4352211E+01 Qxc -0.3806577E+01 3,+3 96 3 +1 -0.531318 1.673931 -0.542837 Rho 0.8830627E-02 |GRAD(Rho)| 0.3004421E-13 GRAD(Rho)x -0.2454299E-13 GRAD(Rho)y 0.8879515E-14 GRAD(Rho)z 0.1488120E-13 Laplacian 0.3370537E-01 (-1/4)Del**2(Rho)) -0.8426343E-02 Diamond 0.9535693E-03 Metallicity 0.7713176E+00 Ellipticity -0.1507361E+01 Gb(Abramov) 0.6700793E-02 Vb(Abramov) -0.4975244E-02 Hb(Abramov) 0.1725550E-02 Ex_ueg -0.1348053E-02 Ec_ueg -0.3153108E-03 Delta_ex -0.1558175E-02 Delta_ec 0.4886079E-03 Delta_et -0.3350859E-02 Pxc 0.4275317E+01 Qxc -0.3189009E+01 3,+1 97 3 -1 -1.688116 1.774269 0.533609 Rho 0.4465640E-01 |GRAD(Rho)| 0.5380985E-15 GRAD(Rho)x 0.4083878E-15 GRAD(Rho)y -0.3271692E-15 GRAD(Rho)z 0.1254182E-15 Laplacian 0.1870610E+00 (-1/4)Del**2(Rho)) -0.4676524E-01 Diamond 0.8314674E-01 Metallicity 0.2070631E+01 Ellipticity 0.1263040E-01 Gb(Abramov) 0.4731576E-01 Vb(Abramov) -0.4786627E-01 Hb(Abramov) -0.5505143E-03 Ex_ueg -0.1170119E-01 Ec_ueg -0.2121701E-02 Delta_ex -0.1505874E-01 Delta_ec 0.5741723E-02 Delta_et -0.5880113E-01 Pxc 0.5515004E+01 Qxc -0.2622686E+01 3,-1 98 3 +1 -2.164991 1.408104 1.080701 Rho 0.2738473E-01 |GRAD(Rho)| 0.1811715E-15 GRAD(Rho)x -0.1223759E-15 GRAD(Rho)y 0.1170858E-15 GRAD(Rho)z -0.6432860E-16 Laplacian 0.1101002E+00 (-1/4)Del**2(Rho)) -0.2752505E-01 Diamond 0.1642450E-01 Metallicity 0.1557181E+01 Ellipticity -0.3806455E+01 Gb(Abramov) 0.2549361E-01 Vb(Abramov) -0.2346218E-01 Hb(Abramov) 0.2031436E-02 Ex_ueg -0.6096253E-02 Ec_ueg -0.1209515E-02 Delta_ex -0.7026399E-02 Delta_ec 0.1885424E-02 Delta_et -0.1701238E-01 Pxc 0.5040245E+01 Qxc -0.3726694E+01 3,+1 99 3 -1 -1.757078 2.813640 -0.579109 Rho 0.1534491E+00 |GRAD(Rho)| 0.4791121E-15 GRAD(Rho)x -0.3502786E-15 GRAD(Rho)y 0.2013567E-16 GRAD(Rho)z 0.3262635E-15 Laplacian 0.6418908E+00 (-1/4)Del**2(Rho)) -0.1604727E+00 Diamond 0.1308848E+01 Metallicity 0.4721636E+01 Ellipticity 0.2936968E-01 Gb(Abramov) 0.2332641E+00 Vb(Abramov) -0.3060555E+00 Hb(Abramov) -0.7279139E-01 Ex_ueg -0.6067421E-01 Ec_ueg -0.8664670E-02 Delta_ex -0.6904980E-01 Delta_ec 0.1571198E-01 Delta_et -0.2086609E+00 Pxc 0.7002484E+01 Qxc -0.4394723E+01 3,-1 100 3 -1 -1.942226 3.030529 0.870166 Rho 0.1412391E+00 |GRAD(Rho)| 0.2105380E-11 GRAD(Rho)x -0.1127372E-11 GRAD(Rho)y -0.7493480E-12 GRAD(Rho)z -0.1612493E-11 Laplacian 0.5486403E+00 (-1/4)Del**2(Rho)) -0.1371601E+00 Diamond 0.1028344E+01 Metallicity 0.4811169E+01 Ellipticity 0.6106406E-01 Gb(Abramov) 0.2014234E+00 Vb(Abramov) -0.2656868E+00 Hb(Abramov) -0.6426336E-01 Ex_ueg -0.5432401E-01 Ec_ueg -0.7885074E-02 Delta_ex -0.5799291E-01 Delta_ec 0.1401361E-01 Delta_et -0.1846951E+00 Pxc 0.6889474E+01 Qxc -0.4138328E+01 3,-1 101 3 +1 -0.539249 0.545862 -1.660816 Rho 0.8869227E-02 |GRAD(Rho)| 0.8580283E-17 GRAD(Rho)x 0.1776566E-17 GRAD(Rho)y 0.5206894E-17 GRAD(Rho)z -0.6584325E-17 Laplacian 0.3426385E-01 (-1/4)Del**2(Rho)) -0.8565962E-02 Diamond 0.9638907E-03 Metallicity 0.7642814E+00 Ellipticity -0.1479370E+01 Gb(Abramov) 0.6801776E-02 Vb(Abramov) -0.5037589E-02 Hb(Abramov) 0.1764186E-02 Ex_ueg -0.1355916E-02 Ec_ueg -0.3170421E-03 Delta_ex -0.1580870E-02 Delta_ec 0.4880118E-03 Delta_et -0.3357337E-02 Pxc 0.4276769E+01 Qxc -0.3239409E+01 3,+1 102 3 +1 0.129290 -0.093039 2.890467 Rho 0.5384464E-02 |GRAD(Rho)| 0.2490763E-16 GRAD(Rho)x 0.8593117E-18 GRAD(Rho)y -0.2488279E-16 GRAD(Rho)z -0.7060229E-18 Laplacian 0.2189730E-01 (-1/4)Del**2(Rho)) -0.5474324E-02 Diamond 0.5919436E-03 Metallicity 0.5205473E+00 Ellipticity -0.7716509E+01 Gb(Abramov) 0.4124490E-02 Vb(Abramov) -0.2774656E-02 Hb(Abramov) 0.1349834E-02 Ex_ueg -0.6970144E-03 Ec_ueg -0.1634952E-03 Delta_ex -0.1127869E-02 Delta_ec 0.7313027E-03 Delta_et -0.4044125E-02 Pxc 0.4263210E+01 Qxc -0.1542274E+01 3,+1 103 3 +1 -1.408989 1.068395 2.191293 Rho 0.2621128E-01 |GRAD(Rho)| 0.1177860E-16 GRAD(Rho)x 0.9844640E-17 GRAD(Rho)y -0.5485605E-17 GRAD(Rho)z -0.3424416E-17 Laplacian 0.1041145E+00 (-1/4)Del**2(Rho)) -0.2602862E-01 Diamond 0.1428647E-01 Metallicity 0.1530790E+01 Ellipticity -0.3317755E+01 Gb(Abramov) 0.2399314E-01 Vb(Abramov) -0.2195766E-01 Hb(Abramov) 0.2035483E-02 Ex_ueg -0.5750460E-02 Ec_ueg -0.1149891E-02 Delta_ex -0.6532630E-02 Delta_ec 0.1721743E-02 Delta_et -0.1538327E-01 Pxc 0.5000873E+01 Qxc -0.3794195E+01 3,+1 104 3 -1 -1.776163 0.529106 1.702302 Rho 0.4323146E-01 |GRAD(Rho)| 0.1174124E-15 GRAD(Rho)x -0.7767292E-16 GRAD(Rho)y -0.1730266E-16 GRAD(Rho)z 0.8633193E-16 Laplacian 0.1812524E+00 (-1/4)Del**2(Rho)) -0.4531310E-01 Diamond 0.7711530E-01 Metallicity 0.2024553E+01 Ellipticity 0.2801556E-01 Gb(Abramov) 0.4549853E-01 Vb(Abramov) -0.4568396E-01 Hb(Abramov) -0.1854314E-03 Ex_ueg -0.1120602E-01 Ec_ueg -0.2044299E-02 Delta_ex -0.1447556E-01 Delta_ec 0.5566886E-02 Delta_et -0.5651737E-01 Pxc 0.5481596E+01 Qxc -0.2600297E+01 3,-1 105 3 -1 -0.825335 -2.961098 -2.032956 Rho 0.1118076E+00 |GRAD(Rho)| 0.1408091E-12 GRAD(Rho)x -0.9836218E-13 GRAD(Rho)y -0.6272696E-13 GRAD(Rho)z 0.7885057E-13 Laplacian 0.4361546E+00 (-1/4)Del**2(Rho)) -0.1090386E+00 Diamond 0.6168357E+00 Metallicity 0.4099762E+01 Ellipticity 0.2338249E-01 Gb(Abramov) 0.1471978E+00 Vb(Abramov) -0.1853570E+00 Hb(Abramov) -0.3815919E-01 Ex_ueg -0.3978143E-01 Ec_ueg -0.6045707E-02 Delta_ex -0.4357723E-01 Delta_ec 0.1176355E-01 Delta_et -0.1491388E+00 Pxc 0.6580112E+01 Qxc -0.3704427E+01 3,-1 106 3 +1 -1.104491 2.176490 1.380767 Rho 0.2750663E-01 |GRAD(Rho)| 0.1178438E-13 GRAD(Rho)x 0.4902074E-14 GRAD(Rho)y 0.5634546E-14 GRAD(Rho)z 0.9115548E-14 Laplacian 0.1116752E+00 (-1/4)Del**2(Rho)) -0.2791880E-01 Diamond 0.1768498E-01 Metallicity 0.1546626E+01 Ellipticity -0.5483515E+01 Gb(Abramov) 0.2580919E-01 Vb(Abramov) -0.2369958E-01 Hb(Abramov) 0.2109608E-02 Ex_ueg -0.6132462E-02 Ec_ueg -0.1215729E-02 Delta_ex -0.7223690E-02 Delta_ec 0.2070012E-02 Delta_et -0.1867286E-01 Pxc 0.5044269E+01 Qxc -0.3489685E+01 3,+1 107 3 -1 -0.886689 1.955946 3.065576 Rho 0.1591087E+00 |GRAD(Rho)| 0.5695483E-15 GRAD(Rho)x -0.5508560E-15 GRAD(Rho)y -0.1402551E-15 GRAD(Rho)z -0.3565670E-16 Laplacian 0.6197970E+00 (-1/4)Del**2(Rho)) -0.1549493E+00 Diamond 0.1336140E+01 Metallicity 0.5194217E+01 Ellipticity 0.7576514E-01 Gb(Abramov) 0.2374395E+00 Vb(Abramov) -0.3199297E+00 Hb(Abramov) -0.8249025E-01 Ex_ueg -0.6367615E-01 Ec_ueg -0.9029126E-02 Delta_ex -0.6742495E-01 Delta_ec 0.1529724E-01 Delta_et -0.2047542E+00 Pxc 0.7052305E+01 Qxc -0.4407654E+01 3,-1 108 3 -1 0.006637 2.916192 -0.005797 Rho 0.5321659E-02 |GRAD(Rho)| 0.8742858E-15 GRAD(Rho)x 0.8689826E-15 GRAD(Rho)y -0.9569687E-16 GRAD(Rho)z 0.9326025E-17 Laplacian 0.2130320E-01 (-1/4)Del**2(Rho)) -0.5325801E-02 Diamond 0.6315714E-03 Metallicity 0.5247028E+00 Ellipticity 0.2470981E+01 Gb(Abramov) 0.4016278E-02 Vb(Abramov) -0.2706755E-02 Hb(Abramov) 0.1309523E-02 Ex_ueg -0.6861954E-03 Ec_ueg -0.1607813E-03 Delta_ex -0.1150100E-02 Delta_ec 0.8101691E-03 Delta_et -0.4427080E-02 Pxc 0.4267882E+01 Qxc -0.1419580E+01 3,-1 109 3 -1 -0.861930 -1.954992 -3.012948 Rho 0.1383048E+00 |GRAD(Rho)| 0.1090980E-15 GRAD(Rho)x 0.1749631E-16 GRAD(Rho)y -0.4491985E-16 GRAD(Rho)z -0.9786957E-16 Laplacian 0.5389983E+00 (-1/4)Del**2(Rho)) -0.1347496E+00 Diamond 0.9831110E+00 Metallicity 0.4728840E+01 Ellipticity 0.5546629E-01 Gb(Abramov) 0.1960346E+00 Vb(Abramov) -0.2573196E+00 Hb(Abramov) -0.6128502E-01 Ex_ueg -0.5282443E-01 Ec_ueg -0.7699111E-02 Delta_ex -0.5666053E-01 Delta_ec 0.1379853E-01 Delta_et -0.1812104E+00 Pxc 0.6861108E+01 Qxc -0.4106274E+01 3,-1 110 3 -1 -0.531329 -1.697761 -1.762266 Rho 0.4166375E-01 |GRAD(Rho)| 0.3395197E-16 GRAD(Rho)x -0.4049982E-17 GRAD(Rho)y 0.3243840E-16 GRAD(Rho)z 0.9169767E-17 Laplacian 0.1747290E+00 (-1/4)Del**2(Rho)) -0.4368226E-01 Diamond 0.7051991E-01 Metallicity 0.1974749E+01 Ellipticity 0.1494494E-01 Gb(Abramov) 0.4349842E-01 Vb(Abramov) -0.4331459E-01 Hb(Abramov) 0.1838349E-03 Ex_ueg -0.1066750E-01 Ec_ueg -0.1959542E-02 Delta_ex -0.1381781E-01 Delta_ec 0.5350143E-02 Delta_et -0.5377659E-01 Pxc 0.5443875E+01 Qxc -0.2582700E+01 3,-1 111 3 -1 -0.574804 -1.754036 2.794784 Rho 0.1563348E+00 |GRAD(Rho)| 0.2540964E-15 GRAD(Rho)x 0.2472523E-15 GRAD(Rho)y 0.5824876E-16 GRAD(Rho)z -0.6193505E-17 Laplacian 0.6545685E+00 (-1/4)Del**2(Rho)) -0.1636421E+00 Diamond 0.1385027E+01 Metallicity 0.4776219E+01 Ellipticity 0.1686059E-01 Gb(Abramov) 0.2393599E+00 Vb(Abramov) -0.3150776E+00 Hb(Abramov) -0.7571774E-01 Ex_ueg -0.6220033E-01 Ec_ueg -0.8850260E-02 Delta_ex -0.7092984E-01 Delta_ec 0.1628527E-01 Delta_et -0.2176359E+00 Pxc 0.7028080E+01 Qxc -0.4355461E+01 3,-1 112 3 +1 0.177622 2.909379 -0.184630 Rho 0.5278311E-02 |GRAD(Rho)| 0.4809029E-17 GRAD(Rho)x 0.2268134E-17 GRAD(Rho)y -0.7335445E-18 GRAD(Rho)z -0.4176630E-17 Laplacian 0.2176546E-01 (-1/4)Del**2(Rho)) -0.5441365E-02 Diamond 0.5223822E-03 Metallicity 0.5066059E+00 Ellipticity -0.2580056E+01 Gb(Abramov) 0.4087015E-02 Vb(Abramov) -0.2732664E-02 Hb(Abramov) 0.1354350E-02 Ex_ueg -0.6787529E-03 Ec_ueg -0.1589093E-03 Delta_ex -0.1073240E-02 Delta_ec 0.6490773E-03 Delta_et -0.3597397E-02 Pxc 0.4271324E+01 Qxc -0.1653486E+01 3,+1 113 3 -1 -0.525647 2.744633 -1.870058 Rho 0.1079788E+00 |GRAD(Rho)| 0.1214743E-13 GRAD(Rho)x -0.1546804E-14 GRAD(Rho)y -0.5511931E-14 GRAD(Rho)z 0.1071382E-13 Laplacian 0.4464277E+00 (-1/4)Del**2(Rho)) -0.1116069E+00 Diamond 0.6055711E+00 Metallicity 0.3779431E+01 Ellipticity 0.7987780E-02 Gb(Abramov) 0.1447064E+00 Vb(Abramov) -0.1778059E+00 Hb(Abramov) -0.3309947E-01 Ex_ueg -0.3797548E-01 Ec_ueg -0.5810865E-02 Delta_ex -0.4424033E-01 Delta_ec 0.1214082E-01 Delta_et -0.1529389E+00 Pxc 0.6535253E+01 Qxc -0.3643932E+01 3,-1 114 3 -1 -0.853126 2.963437 2.067276 Rho 0.1225729E+00 |GRAD(Rho)| 0.6319868E-12 GRAD(Rho)x -0.4281020E-12 GRAD(Rho)y 0.2876984E-12 GRAD(Rho)z -0.3651926E-12 Laplacian 0.4719984E+00 (-1/4)Del**2(Rho)) -0.1179996E+00 Diamond 0.7485789E+00 Metallicity 0.4415673E+01 Ellipticity 0.3424802E-01 Gb(Abramov) 0.1655077E+00 Vb(Abramov) -0.2130158E+00 Hb(Abramov) -0.4750808E-01 Ex_ueg -0.4496878E-01 Ec_ueg -0.6711670E-02 Delta_ex -0.4824159E-01 Delta_ec 0.1253078E-01 Delta_et -0.1615770E+00 Pxc 0.6700088E+01 Qxc -0.3849848E+01 3,-1 115 3 -1 -0.550602 1.703990 1.793511 Rho 0.4402255E-01 |GRAD(Rho)| 0.2617803E-15 GRAD(Rho)x 0.4266441E-16 GRAD(Rho)y 0.1947164E-15 GRAD(Rho)z 0.1696887E-15 Laplacian 0.1860605E+00 (-1/4)Del**2(Rho)) -0.4651512E-01 Diamond 0.8129844E-01 Metallicity 0.2032751E+01 Ellipticity 0.9400778E-02 Gb(Abramov) 0.4676903E-01 Vb(Abramov) -0.4702294E-01 Hb(Abramov) -0.2539061E-03 Ex_ueg -0.1148027E-01 Ec_ueg -0.2087229E-02 Delta_ex -0.1493476E-01 Delta_ec 0.5728676E-02 Delta_et -0.5844636E-01 Pxc 0.5500244E+01 Qxc -0.2607017E+01 3,-1 116 3 -1 0.077055 -0.041746 2.892853 Rho 0.5385629E-02 |GRAD(Rho)| 0.1324487E-15 GRAD(Rho)x 0.7911362E-16 GRAD(Rho)y -0.1057095E-15 GRAD(Rho)z -0.1044915E-16 Laplacian 0.2170018E-01 (-1/4)Del**2(Rho)) -0.5425045E-02 Diamond 0.6236336E-03 Metallicity 0.5254650E+00 Ellipticity 0.7428675E+01 Gb(Abramov) 0.4091809E-02 Vb(Abramov) -0.2758572E-02 Hb(Abramov) 0.1333236E-02 Ex_ueg -0.6972153E-03 Ec_ueg -0.1635455E-03 Delta_ex -0.1148751E-02 Delta_ec 0.7800473E-03 Delta_et -0.4293062E-02 Pxc 0.4263127E+01 Qxc -0.1472668E+01 3,-1 117 3 +3 0.000354 0.001633 -2.329825 Rho 0.4598409E-02 |GRAD(Rho)| 0.1524224E-16 GRAD(Rho)x 0.4516036E-17 GRAD(Rho)y 0.1984586E-17 GRAD(Rho)z -0.1442195E-16 Laplacian 0.1875385E-01 (-1/4)Del**2(Rho)) -0.4688462E-02 Diamond 0.1717981E-03 Metallicity 0.4672350E+00 Ellipticity -0.3314495E+00 Gb(Abramov) 0.3490744E-02 Vb(Abramov) -0.2293025E-02 Hb(Abramov) 0.1197718E-02 Ex_ueg -0.5647572E-03 Ec_ueg -0.1296718E-03 Delta_ex -0.6902039E-03 Delta_ec 0.1845905E-03 Delta_et -0.1143067E-02 Pxc 0.4355281E+01 Qxc -0.3739109E+01 3,+3 118 3 +3 0.012477 0.019978 2.324312 Rho 0.4700640E-02 |GRAD(Rho)| 0.1703891E-17 GRAD(Rho)x -0.1453613E-17 GRAD(Rho)y -0.8521988E-18 GRAD(Rho)z 0.2529993E-18 Laplacian 0.1919249E-01 (-1/4)Del**2(Rho)) -0.4798124E-02 Diamond 0.1777570E-03 Metallicity 0.4735983E+00 Ellipticity -0.3124481E+00 Gb(Abramov) 0.3577480E-02 Vb(Abramov) -0.2356836E-02 Hb(Abramov) 0.1220644E-02 Ex_ueg -0.5815599E-03 Ec_ueg -0.1340530E-03 Delta_ex -0.7068835E-03 Delta_ec 0.1828168E-03 Delta_et -0.1146106E-02 Pxc 0.4338284E+01 Qxc -0.3866622E+01 3,+3 119 3 -1 -0.045544 -0.039489 -2.895929 Rho 0.5256835E-02 |GRAD(Rho)| 0.1129288E-14 GRAD(Rho)x 0.7000129E-15 GRAD(Rho)y 0.7959939E-15 GRAD(Rho)z -0.3894447E-15 Laplacian 0.2118902E-01 (-1/4)Del**2(Rho)) -0.5297255E-02 Diamond 0.6062435E-03 Metallicity 0.5168639E+00 Ellipticity 0.4112607E+01 Gb(Abramov) 0.3987830E-02 Vb(Abramov) -0.2678405E-02 Hb(Abramov) 0.1309425E-02 Ex_ueg -0.6750732E-03 Ec_ueg -0.1579821E-03 Delta_ex -0.1131245E-02 Delta_ec 0.7877037E-03 Delta_et -0.4294272E-02 Pxc 0.4273098E+01 Qxc -0.1436130E+01 3,-1 120 3 -1 0.525622 -1.696612 1.742916 Rho 0.4766514E-01 |GRAD(Rho)| 0.2974643E-13 GRAD(Rho)x -0.2365909E-13 GRAD(Rho)y 0.4556561E-14 GRAD(Rho)z 0.1744521E-13 Laplacian 0.1936995E+00 (-1/4)Del**2(Rho)) -0.4842488E-01 Diamond 0.9098328E-01 Metallicity 0.2229219E+01 Ellipticity 0.1247042E-01 Gb(Abramov) 0.5027486E-01 Vb(Abramov) -0.5212485E-01 Hb(Abramov) -0.1849982E-02 Ex_ueg -0.1276398E-01 Ec_ueg -0.2286224E-02 Delta_ex -0.1570618E-01 Delta_ec 0.5689241E-02 Delta_et -0.5922408E-01 Pxc 0.5582998E+01 Qxc -0.2760680E+01 3,-1 121 3 +1 0.525584 -0.531980 -1.669859 Rho 0.8596610E-02 |GRAD(Rho)| 0.1104839E-13 GRAD(Rho)x 0.3407206E-15 GRAD(Rho)y 0.8896938E-14 GRAD(Rho)z 0.6541816E-14 Laplacian 0.3324973E-01 (-1/4)Del**2(Rho)) -0.8312433E-02 Diamond 0.9089372E-03 Metallicity 0.7476593E+00 Ellipticity -0.1481292E+01 Gb(Abramov) 0.6577433E-02 Vb(Abramov) -0.4842434E-02 Hb(Abramov) 0.1735000E-02 Ex_ueg -0.1300633E-02 Ec_ueg -0.3048285E-03 Delta_ex -0.1527666E-02 Delta_ec 0.4836615E-03 Delta_et -0.3292646E-02 Pxc 0.4266770E+01 Qxc -0.3158544E+01 3,+1 122 3 +1 0.173419 0.174113 -2.898936 Rho 0.5194425E-02 |GRAD(Rho)| 0.2532444E-15 GRAD(Rho)x 0.1516236E-15 GRAD(Rho)y 0.2014729E-15 GRAD(Rho)z -0.2348776E-16 Laplacian 0.2144934E-01 (-1/4)Del**2(Rho)) -0.5362335E-02 Diamond 0.4963893E-03 Metallicity 0.5005279E+00 Ellipticity -0.2376586E+01 Gb(Abramov) 0.4022223E-02 Vb(Abramov) -0.2682111E-02 Hb(Abramov) 0.1340112E-02 Ex_ueg -0.6644082E-03 Ec_ueg -0.1552893E-03 Delta_ex -0.1047746E-02 Delta_ec 0.6279423E-03 Delta_et -0.3468644E-02 Pxc 0.4278520E+01 Qxc -0.1668539E+01 3,+1 123 3 -1 -0.473344 0.485726 0.477527 Rho 0.1885786E+00 |GRAD(Rho)| 0.3094358E-14 GRAD(Rho)x 0.1894318E-14 GRAD(Rho)y -0.1450229E-14 GRAD(Rho)z -0.1970646E-14 Laplacian 0.5219574E+00 (-1/4)Del**2(Rho)) -0.1304894E+00 Diamond 0.1415097E+01 Metallicity 0.8187139E+01 Ellipticity 0.2325984E-03 Gb(Abramov) 0.2650486E+00 Vb(Abramov) -0.3996079E+00 Hb(Abramov) -0.1345593E+00 Ex_ueg -0.7986840E-01 Ec_ueg -0.1095735E-01 Delta_ex -0.5951415E-01 Delta_ec 0.1278268E-01 Delta_et -0.1757697E+00 Pxc 0.7289023E+01 Qxc -0.4655843E+01 3,-1 124 3 +1 1.152559 -2.168590 1.297719 Rho 0.2903755E-01 |GRAD(Rho)| 0.1067126E-15 GRAD(Rho)x -0.1415451E-17 GRAD(Rho)y -0.9966861E-16 GRAD(Rho)z 0.3810177E-16 Laplacian 0.1182443E+00 (-1/4)Del**2(Rho)) -0.2956107E-01 Diamond 0.2024402E-01 Metallicity 0.1598698E+01 Ellipticity -0.6838505E+01 Gb(Abramov) 0.2758391E-01 Vb(Abramov) -0.2560676E-01 Hb(Abramov) 0.1977151E-02 Ex_ueg -0.6591715E-02 Ec_ueg -0.1294071E-02 Delta_ex -0.7765694E-02 Delta_ec 0.2202988E-02 Delta_et -0.2013912E-01 Pxc 0.5093783E+01 Qxc -0.3525074E+01 3,+1 125 3 +3 1.094291 1.139593 1.115203 Rho 0.5191509E-02 |GRAD(Rho)| 0.1940334E-11 GRAD(Rho)x -0.1940078E-11 GRAD(Rho)y -0.1984696E-13 GRAD(Rho)z 0.2450832E-13 Laplacian 0.2009398E-01 (-1/4)Del**2(Rho)) -0.5023496E-02 Diamond 0.1464249E-03 Metallicity 0.5337892E+00 Ellipticity -0.6055164E-01 Gb(Abramov) 0.3795912E-02 Vb(Abramov) -0.2568328E-02 Hb(Abramov) 0.1227584E-02 Ex_ueg -0.6639110E-03 Ec_ueg -0.1551635E-03 Delta_ex -0.7003631E-03 Delta_ec 0.8644183E-04 Delta_et -0.6946944E-03 Pxc 0.4278783E+01 Qxc -0.8102132E+01 3,+3 126 3 -1 -0.559697 1.771192 -2.814839 Rho 0.1363469E+00 |GRAD(Rho)| 0.1673955E-15 GRAD(Rho)x 0.7582639E-16 GRAD(Rho)y 0.1355388E-15 GRAD(Rho)z 0.6245682E-16 Laplacian 0.5746383E+00 (-1/4)Del**2(Rho)) -0.1436596E+00 Diamond 0.1022411E+01 Metallicity 0.4331389E+01 Ellipticity 0.1877849E-01 Gb(Abramov) 0.1994806E+00 Vb(Abramov) -0.2553017E+00 Hb(Abramov) -0.5582106E-01 Ex_ueg -0.5182969E-01 Ec_ueg -0.7575331E-02 Delta_ex -0.6010829E-01 Delta_ec 0.1460241E-01 Delta_et -0.1910309E+00 Pxc 0.6841904E+01 Qxc -0.4116326E+01 3,-1 127 3 -1 0.044207 -2.900531 0.050389 Rho 0.5408571E-02 |GRAD(Rho)| 0.4476325E-17 GRAD(Rho)x 0.2942159E-17 GRAD(Rho)y -0.1790875E-17 GRAD(Rho)z 0.2859013E-17 Laplacian 0.2174765E-01 (-1/4)Del**2(Rho)) -0.5436912E-02 Diamond 0.6355191E-03 Metallicity 0.5280460E+00 Ellipticity 0.5193336E+01 Gb(Abramov) 0.4103098E-02 Vb(Abramov) -0.2769284E-02 Hb(Abramov) 0.1333814E-02 Ex_ueg -0.7011783E-03 Ec_ueg -0.1645374E-03 Delta_ex -0.1157978E-02 Delta_ec 0.7921168E-03 Delta_et -0.4361484E-02 Pxc 0.4261512E+01 Qxc -0.1461878E+01 3,-1 128 3 +1 0.123279 -2.896022 0.131579 Rho 0.5404427E-02 |GRAD(Rho)| 0.2258897E-17 GRAD(Rho)x 0.1593630E-17 GRAD(Rho)y 0.1600150E-17 GRAD(Rho)z 0.4978811E-19 Laplacian 0.2204516E-01 (-1/4)Del**2(Rho)) -0.5511290E-02 Diamond 0.5874754E-03 Metallicity 0.5202547E+00 Ellipticity -0.5266615E+01 Gb(Abramov) 0.4152072E-02 Vb(Abramov) -0.2792855E-02 Hb(Abramov) 0.1359217E-02 Ex_ueg -0.7004620E-03 Ec_ueg -0.1643582E-03 Delta_ex -0.1126714E-02 Delta_ec 0.7191469E-03 Delta_et -0.3987800E-02 Pxc 0.4261800E+01 Qxc -0.1566737E+01 3,+1 129 3 -1 -0.562488 -2.743655 1.834709 Rho 0.1358602E+00 |GRAD(Rho)| 0.9716792E-16 GRAD(Rho)x -0.3140121E-16 GRAD(Rho)y -0.2236167E-18 GRAD(Rho)z 0.9195390E-16 Laplacian 0.5714344E+00 (-1/4)Del**2(Rho)) -0.1428586E+00 Diamond 0.1031947E+01 Metallicity 0.4329791E+01 Ellipticity 0.1058131E-01 Gb(Abramov) 0.1983304E+00 Vb(Abramov) -0.2538022E+00 Hb(Abramov) -0.5547179E-01 Ex_ueg -0.5158315E-01 Ec_ueg -0.7544600E-02 Delta_ex -0.5994382E-01 Delta_ec 0.1493136E-01 Delta_et -0.1960392E+00 Pxc 0.6837095E+01 Qxc -0.4014625E+01 3,-1 130 3 -1 -0.074734 -3.129596 3.252216 Rho 0.2521150E+00 |GRAD(Rho)| 0.8078100E-14 GRAD(Rho)x 0.1513302E-14 GRAD(Rho)y 0.5766329E-14 GRAD(Rho)z -0.5451152E-14 Laplacian 0.9171913E+00 (-1/4)Del**2(Rho)) -0.2292978E+00 Diamond 0.3427801E+01 Metallicity 0.7559349E+01 Ellipticity 0.2235580E-02 Gb(Abramov) 0.4417556E+00 Vb(Abramov) -0.6542134E+00 Hb(Abramov) -0.2124578E+00 Ex_ueg -0.1176296E+00 Ec_ueg -0.1528061E-01 Delta_ex -0.1121833E+00 Delta_ec 0.1983811E-01 Delta_et -0.2745686E+00 Pxc 0.7697968E+01 Qxc -0.5654939E+01 3,-1 131 3 +3 -0.015295 -2.316731 -0.016696 Rho 0.4671895E-02 |GRAD(Rho)| 0.8978613E-17 GRAD(Rho)x 0.6572111E-17 GRAD(Rho)y 0.5721792E-17 GRAD(Rho)z 0.2164242E-17 Laplacian 0.1912477E-01 (-1/4)Del**2(Rho)) -0.4781192E-02 Diamond 0.1720941E-03 Metallicity 0.4704413E+00 Ellipticity -0.2878575E+00 Gb(Abramov) 0.3562339E-02 Vb(Abramov) -0.2343487E-02 Hb(Abramov) 0.1218852E-02 Ex_ueg -0.5768228E-03 Ec_ueg -0.1328205E-03 Delta_ex -0.6996629E-03 Delta_ec 0.1756981E-03 Delta_et -0.1108559E-02 Pxc 0.4342874E+01 Qxc -0.3982187E+01 3,+3 132 3 -1 -0.037117 3.123308 -3.286474 Rho 0.2410287E+00 |GRAD(Rho)| 0.1032762E-15 GRAD(Rho)x -0.1460962E-16 GRAD(Rho)y -0.5057803E-16 GRAD(Rho)z -0.8885037E-16 Laplacian 0.8651663E+00 (-1/4)Del**2(Rho)) -0.2162916E+00 Diamond 0.3086709E+01 Metallicity 0.7435236E+01 Ellipticity 0.7444516E-03 Gb(Abramov) 0.4122242E+00 Vb(Abramov) -0.6081568E+00 Hb(Abramov) -0.1959326E+00 Ex_ueg -0.1107839E+00 Ec_ueg -0.1451025E-01 Delta_ex -0.1047051E+00 Delta_ec 0.1919262E-01 Delta_et -0.2663537E+00 Pxc 0.7634871E+01 Qxc -0.5455489E+01 3,-1 133 3 -1 1.754976 2.823788 0.591157 Rho 0.1599801E+00 |GRAD(Rho)| 0.5267282E-13 GRAD(Rho)x 0.4533944E-13 GRAD(Rho)y 0.2618734E-13 GRAD(Rho)z -0.5743263E-14 Laplacian 0.6681843E+00 (-1/4)Del**2(Rho)) -0.1670461E+00 Diamond 0.1431104E+01 Metallicity 0.4862133E+01 Ellipticity 0.3232104E-01 Gb(Abramov) 0.2467307E+00 Vb(Abramov) -0.3264154E+00 Hb(Abramov) -0.7968467E-01 Ex_ueg -0.6414158E-01 Ec_ueg -0.9085415E-02 Delta_ex -0.7261538E-01 Delta_ec 0.1616128E-01 Delta_et -0.2156791E+00 Pxc 0.7059841E+01 Qxc -0.4493170E+01 3,-1 134 3 -1 0.034334 3.128484 3.299752 Rho 0.2408203E+00 |GRAD(Rho)| 0.1930319E-15 GRAD(Rho)x 0.1309174E-16 GRAD(Rho)y 0.1831760E-15 GRAD(Rho)z -0.5946849E-16 Laplacian 0.8646749E+00 (-1/4)Del**2(Rho)) -0.2161687E+00 Diamond 0.3081497E+01 Metallicity 0.7428747E+01 Ellipticity 0.8819776E-03 Gb(Abramov) 0.4117563E+00 Vb(Abramov) -0.6073438E+00 Hb(Abramov) -0.1955876E+00 Ex_ueg -0.1106562E+00 Ec_ueg -0.1449584E-01 Delta_ex -0.1046207E+00 Delta_ec 0.1918427E-01 Delta_et -0.2662193E+00 Pxc 0.7633656E+01 Qxc -0.5453463E+01 3,-1 135 3 +3 1.116041 -1.103115 -1.112644 Rho 0.5015268E-02 |GRAD(Rho)| 0.9936727E-13 GRAD(Rho)x 0.7107710E-13 GRAD(Rho)y -0.6663028E-13 GRAD(Rho)z 0.1955268E-13 Laplacian 0.1950463E-01 (-1/4)Del**2(Rho)) -0.4876157E-02 Diamond 0.1384560E-03 Metallicity 0.5191574E+00 Ellipticity -0.8702376E-01 Gb(Abramov) 0.3672687E-02 Vb(Abramov) -0.2469217E-02 Hb(Abramov) 0.1203470E-02 Ex_ueg -0.6340311E-03 Ec_ueg -0.1475699E-03 Delta_ex -0.6759944E-03 Delta_ec 0.8869130E-04 Delta_et -0.6944959E-03 Pxc 0.4296480E+01 Qxc -0.7621879E+01 3,+3 136 3 -1 0.466400 -0.460269 0.464188 Rho 0.1839350E+00 |GRAD(Rho)| 0.1326767E-12 GRAD(Rho)x -0.7535292E-13 GRAD(Rho)y 0.7855175E-13 GRAD(Rho)z -0.7585946E-13 Laplacian 0.5049662E+00 (-1/4)Del**2(Rho)) -0.1262415E+00 Diamond 0.1335063E+01 Metallicity 0.8118170E+01 Ellipticity 0.4762433E-03 Gb(Abramov) 0.2549694E+00 Vb(Abramov) -0.3836973E+00 Hb(Abramov) -0.1287279E+00 Ex_ueg -0.7725694E-01 Ec_ueg -0.1065020E-01 Delta_ex -0.5726536E-01 Delta_ec 0.1253504E-01 Delta_et -0.1721728E+00 Pxc 0.7254040E+01 Qxc -0.4568424E+01 3,-1 137 3 +1 1.680105 -0.535946 -0.542551 Rho 0.8410130E-02 |GRAD(Rho)| 0.7918644E-15 GRAD(Rho)x -0.5608692E-15 GRAD(Rho)y 0.2704001E-15 GRAD(Rho)z 0.4892431E-15 Laplacian 0.3282849E-01 (-1/4)Del**2(Rho)) -0.8207122E-02 Diamond 0.8606432E-03 Metallicity 0.7300739E+00 Ellipticity -0.1446840E+01 Gb(Abramov) 0.6470049E-02 Vb(Abramov) -0.4732976E-02 Hb(Abramov) 0.1737073E-02 Ex_ueg -0.1263151E-02 Ec_ueg -0.2964929E-03 Delta_ex -0.1495205E-02 Delta_ec 0.4689406E-03 Delta_et -0.3181111E-02 Pxc 0.4260309E+01 Qxc -0.3188474E+01 3,+1 138 3 -1 1.688658 1.770661 -0.518389 Rho 0.4422502E-01 |GRAD(Rho)| 0.1283362E-15 GRAD(Rho)x -0.4711769E-16 GRAD(Rho)y -0.8527504E-16 GRAD(Rho)z -0.8353598E-16 Laplacian 0.1845791E+00 (-1/4)Del**2(Rho)) -0.4614476E-01 Diamond 0.8103030E-01 Metallicity 0.2064798E+01 Ellipticity 0.1822731E-01 Gb(Abramov) 0.4664311E-01 Vb(Abramov) -0.4714145E-01 Hb(Abramov) -0.4983447E-03 Ex_ueg -0.1155072E-01 Ec_ueg -0.2098233E-02 Delta_ex -0.1482634E-01 Delta_ec 0.5671528E-02 Delta_et -0.5793252E-01 Pxc 0.5504976E+01 Qxc -0.2614170E+01 3,-1 139 3 -1 0.470152 0.482202 -0.476119 Rho 0.1886974E+00 |GRAD(Rho)| 0.1717152E-14 GRAD(Rho)x -0.1148387E-14 GRAD(Rho)y -0.8673617E-15 GRAD(Rho)z 0.9367507E-15 Laplacian 0.5220669E+00 (-1/4)Del**2(Rho)) -0.1305167E+00 Diamond 0.1417228E+01 Metallicity 0.8194017E+01 Ellipticity 0.4664589E-03 Gb(Abramov) 0.2652538E+00 Vb(Abramov) -0.3999910E+00 Hb(Abramov) -0.1347371E+00 Ex_ueg -0.7993548E-01 Ec_ueg -0.1096523E-01 Delta_ex -0.5954167E-01 Delta_ec 0.1279323E-01 Delta_et -0.1759572E+00 Pxc 0.7289907E+01 Qxc -0.4654156E+01 3,-1 140 3 +1 1.743676 1.763666 1.729638 Rho 0.1195799E-01 |GRAD(Rho)| 0.2078348E-16 GRAD(Rho)x 0.1649771E-16 GRAD(Rho)y -0.1263995E-16 GRAD(Rho)z -0.1013293E-18 Laplacian 0.5978367E-01 (-1/4)Del**2(Rho)) -0.1494592E-01 Diamond 0.2384575E-02 Metallicity 0.7207662E+00 Ellipticity -0.1254433E+01 Gb(Abramov) 0.1175936E-01 Vb(Abramov) -0.8572810E-02 Hb(Abramov) 0.3186554E-02 Ex_ueg -0.2019588E-02 Ec_ueg -0.4576302E-03 Delta_ex -0.2936067E-02 Delta_ec 0.7762637E-03 Delta_et -0.5815484E-02 Pxc 0.4413144E+01 Qxc -0.3782306E+01 3,+1 141 3 -1 0.077698 -3.127573 -3.264570 Rho 0.2412143E+00 |GRAD(Rho)| 0.5920049E-10 GRAD(Rho)x 0.1054796E-10 GRAD(Rho)y -0.4120510E-10 GRAD(Rho)z -0.4117740E-10 Laplacian 0.8588357E+00 (-1/4)Del**2(Rho)) -0.2147089E+00 Diamond 0.3072681E+01 Metallicity 0.7499657E+01 Ellipticity 0.2433051E-02 Gb(Abramov) 0.4115131E+00 Vb(Abramov) -0.6083174E+00 Hb(Abramov) -0.1968042E+00 Ex_ueg -0.1108977E+00 Ec_ueg -0.1452309E-01 Delta_ex -0.1039901E+00 Delta_ec 0.1910181E-01 Delta_et -0.2653393E+00 Pxc 0.7635953E+01 Qxc -0.5443991E+01 3,-1 142 3 -1 0.834405 -2.959109 2.022438 Rho 0.1299031E+00 |GRAD(Rho)| 0.1310216E-15 GRAD(Rho)x 0.4648517E-17 GRAD(Rho)y -0.9173706E-16 GRAD(Rho)z -0.9343112E-16 Laplacian 0.5122288E+00 (-1/4)Del**2(Rho)) -0.1280572E+00 Diamond 0.8769268E+00 Metallicity 0.4482447E+01 Ellipticity 0.2294766E-01 Gb(Abramov) 0.1810398E+00 Vb(Abramov) -0.2340223E+00 Hb(Abramov) -0.5298255E-01 Ex_ueg -0.4858974E-01 Ec_ueg -0.7169724E-02 Delta_ex -0.5315932E-01 Delta_ec 0.1353782E-01 Delta_et -0.1764883E+00 Pxc 0.6777073E+01 Qxc -0.3926726E+01 3,-1 143 3 -1 1.951063 -3.021876 0.874072 Rho 0.1524872E+00 |GRAD(Rho)| 0.6311070E-15 GRAD(Rho)x 0.3355606E-15 GRAD(Rho)y 0.3426079E-15 GRAD(Rho)z -0.4102621E-15 Laplacian 0.6004530E+00 (-1/4)Del**2(Rho)) -0.1501132E+00 Diamond 0.1243577E+01 Metallicity 0.4994856E+01 Ellipticity 0.4666769E-01 Gb(Abramov) 0.2250412E+00 Vb(Abramov) -0.2999691E+00 Hb(Abramov) -0.7492793E-01 Ex_ueg -0.6016761E-01 Ec_ueg -0.8602918E-02 Delta_ex -0.6476870E-01 Delta_ec 0.1521586E-01 Delta_et -0.2031145E+00 Pxc 0.6993861E+01 Qxc -0.4256656E+01 3,-1 144 3 -1 0.557742 -2.749034 -1.849339 Rho 0.1190716E+00 |GRAD(Rho)| 0.1733864E-15 GRAD(Rho)x -0.1505008E-16 GRAD(Rho)y -0.8261621E-16 GRAD(Rho)z -0.1516934E-15 Laplacian 0.4961386E+00 (-1/4)Del**2(Rho)) -0.1240347E+00 Diamond 0.7555388E+00 Metallicity 0.4002736E+01 Ellipticity 0.6752868E-02 Gb(Abramov) 0.1654361E+00 Vb(Abramov) -0.2068375E+00 Hb(Abramov) -0.4140143E-01 Ex_ueg -0.4326425E-01 Ec_ueg -0.6494171E-02 Delta_ex -0.5029969E-01 Delta_ec 0.1315546E-01 Delta_et -0.1686128E+00 Pxc 0.6662012E+01 Qxc -0.3823483E+01 3,-1 145 3 -1 0.551060 1.699758 -1.781542 Rho 0.4413380E-01 |GRAD(Rho)| 0.3498447E-16 GRAD(Rho)x 0.1220003E-16 GRAD(Rho)y 0.6277573E-17 GRAD(Rho)z -0.3218175E-16 Laplacian 0.1862138E+00 (-1/4)Del**2(Rho)) -0.4655346E-01 Diamond 0.8152030E-01 Metallicity 0.2039640E+01 Ellipticity 0.9256607E-02 Gb(Abramov) 0.4686102E-01 Vb(Abramov) -0.4716858E-01 Hb(Abramov) -0.3075605E-03 Ex_ueg -0.1151897E-01 Ec_ueg -0.2093274E-02 Delta_ex -0.1495007E-01 Delta_ec 0.5721967E-02 Delta_et -0.5841542E-01 Pxc 0.5502846E+01 Qxc -0.2612750E+01 3,-1 146 3 -1 0.560453 1.781631 2.821218 Rho 0.1394840E+00 |GRAD(Rho)| 0.4699872E-13 GRAD(Rho)x -0.3319532E-13 GRAD(Rho)y 0.3326407E-13 GRAD(Rho)z -0.6728220E-15 Laplacian 0.5873973E+00 (-1/4)Del**2(Rho)) -0.1468493E+00 Diamond 0.1073358E+01 Metallicity 0.4401041E+01 Ellipticity 0.2210609E-01 Gb(Abramov) 0.2056145E+00 Vb(Abramov) -0.2643797E+00 Hb(Abramov) -0.5876520E-01 Ex_ueg -0.5342580E-01 Ec_ueg -0.7773777E-02 Delta_ex -0.6177736E-01 Delta_ec 0.1482977E-01 Delta_et -0.1946303E+00 Pxc 0.6872567E+01 Qxc -0.4165768E+01 3,-1 147 3 +1 1.396644 1.073065 -2.184668 Rho 0.2647188E-01 |GRAD(Rho)| 0.1863339E-14 GRAD(Rho)x -0.8046502E-15 GRAD(Rho)y -0.6301148E-15 GRAD(Rho)z -0.1558051E-14 Laplacian 0.1057537E+00 (-1/4)Del**2(Rho)) -0.2643844E-01 Diamond 0.1510448E-01 Metallicity 0.1532118E+01 Ellipticity -0.3770110E+01 Gb(Abramov) 0.2437676E-01 Vb(Abramov) -0.2231508E-01 Hb(Abramov) 0.2061679E-02 Ex_ueg -0.5826819E-02 Ec_ueg -0.1163103E-02 Delta_ex -0.6692806E-02 Delta_ec 0.1819621E-02 Delta_et -0.1628263E-01 Pxc 0.5009718E+01 Qxc -0.3678133E+01 3,+1 148 3 +1 1.659128 0.531102 0.520442 Rho 0.9090659E-02 |GRAD(Rho)| 0.5971693E-15 GRAD(Rho)x -0.3003994E-15 GRAD(Rho)y -0.5038485E-15 GRAD(Rho)z 0.1118395E-15 Laplacian 0.3529001E-01 (-1/4)Del**2(Rho)) -0.8822504E-02 Diamond 0.1012006E-02 Metallicity 0.7731913E+00 Ellipticity -0.1466999E+01 Gb(Abramov) 0.7018583E-02 Vb(Abramov) -0.5214662E-02 Hb(Abramov) 0.1803921E-02 Ex_ueg -0.1401239E-02 Ec_ueg -0.3269866E-03 Delta_ex -0.1632279E-02 Delta_ec 0.4916455E-03 Delta_et -0.3412515E-02 Pxc 0.4285310E+01 Qxc -0.3320033E+01 3,+1 149 3 -1 0.862633 -1.940796 3.004728 Rho 0.1445061E+00 |GRAD(Rho)| 0.2223915E-15 GRAD(Rho)x -0.1093011E-15 GRAD(Rho)y -0.1936656E-15 GRAD(Rho)z 0.2209062E-17 Laplacian 0.5685384E+00 (-1/4)Del**2(Rho)) -0.1421346E+00 Diamond 0.1105341E+01 Metallicity 0.4823146E+01 Ellipticity 0.3996894E-01 Gb(Abramov) 0.2090124E+00 Vb(Abramov) -0.2758902E+00 Hb(Abramov) -0.6687779E-01 Ex_ueg -0.5600584E-01 Ec_ueg -0.8092759E-02 Delta_ex -0.6053827E-01 Delta_ec 0.1462781E-01 Delta_et -0.1938448E+00 Pxc 0.6920489E+01 Qxc -0.4138574E+01 3,-1 150 3 -1 0.579723 -1.771841 -2.807448 Rho 0.1534553E+00 |GRAD(Rho)| 0.1551894E-11 GRAD(Rho)x -0.1037705E-11 GRAD(Rho)y -0.1119231E-11 GRAD(Rho)z 0.2808270E-12 Laplacian 0.6407414E+00 (-1/4)Del**2(Rho)) -0.1601854E+00 Diamond 0.1306855E+01 Metallicity 0.4730425E+01 Ellipticity 0.2886481E-01 Gb(Abramov) 0.2330810E+00 Vb(Abramov) -0.3059767E+00 Hb(Abramov) -0.7289568E-01 Ex_ueg -0.6067748E-01 Ec_ueg -0.8665068E-02 Delta_ex -0.6892962E-01 Delta_ec 0.1568864E-01 Delta_et -0.2083643E+00 Pxc 0.7002539E+01 Qxc -0.4393601E+01 3,-1 151 3 +1 2.169329 -1.302914 1.144066 Rho 0.2896052E-01 |GRAD(Rho)| 0.8358567E-16 GRAD(Rho)x 0.8069252E-16 GRAD(Rho)y -0.3483189E-17 GRAD(Rho)z 0.2152090E-16 Laplacian 0.1177941E+00 (-1/4)Del**2(Rho)) -0.2944852E-01 Diamond 0.2004925E-01 Metallicity 0.1597718E+01 Ellipticity -0.6663316E+01 Gb(Abramov) 0.2747409E-01 Vb(Abramov) -0.2549965E-01 Hb(Abramov) 0.1974433E-02 Ex_ueg -0.6568409E-02 Ec_ueg -0.1290115E-02 Delta_ex -0.7726728E-02 Delta_ec 0.2187565E-02 Delta_et -0.1998580E-01 Pxc 0.5091335E+01 Qxc -0.3532113E+01 3,+1 152 3 -1 0.522562 2.755803 1.878579 Rho 0.1022202E+00 |GRAD(Rho)| 0.4959529E-16 GRAD(Rho)x 0.4234487E-16 GRAD(Rho)y -0.5734413E-17 GRAD(Rho)z -0.2517382E-16 Laplacian 0.4222761E+00 (-1/4)Del**2(Rho)) -0.1055690E+00 Diamond 0.5370948E+00 Metallicity 0.3646793E+01 Ellipticity 0.1016402E-01 Gb(Abramov) 0.1345441E+00 Vb(Abramov) -0.1635191E+00 Hb(Abramov) -0.2897505E-01 Ex_ueg -0.3529940E-01 Ec_ueg -0.5459738E-02 Delta_ex -0.4132674E-01 Delta_ec 0.1165296E-01 Delta_et -0.1452990E+00 Pxc 0.6465401E+01 Qxc -0.3546457E+01 3,-1 153 3 -1 0.856312 2.954715 -2.061741 Rho 0.1257742E+00 |GRAD(Rho)| 0.6442551E-13 GRAD(Rho)x -0.4260149E-13 GRAD(Rho)y -0.2700169E-13 GRAD(Rho)z -0.4008327E-13 Laplacian 0.4859229E+00 (-1/4)Del**2(Rho)) -0.1214807E+00 Diamond 0.7942863E+00 Metallicity 0.4477462E+01 Ellipticity 0.3893366E-01 Gb(Abramov) 0.1716414E+00 Vb(Abramov) -0.2218020E+00 Hb(Abramov) -0.5016064E-01 Ex_ueg -0.4654152E-01 Ec_ueg -0.6911268E-02 Delta_ex -0.4996476E-01 Delta_ec 0.1280788E-01 Delta_et -0.1658439E+00 Pxc 0.6734151E+01 Qxc -0.3901096E+01 3,-1 154 3 +1 1.266435 -1.182531 2.160566 Rho 0.2930662E-01 |GRAD(Rho)| 0.2666407E-16 GRAD(Rho)x -0.6890760E-17 GRAD(Rho)y -0.4627107E-18 GRAD(Rho)z -0.2575414E-16 Laplacian 0.1201781E+00 (-1/4)Del**2(Rho)) -0.3004451E-01 Diamond 0.2120421E-01 Metallicity 0.1597341E+01 Ellipticity -0.8668484E+01 Gb(Abramov) 0.2802823E-01 Vb(Abramov) -0.2601195E-01 Hb(Abramov) 0.2016282E-02 Ex_ueg -0.6673282E-02 Ec_ueg -0.1307898E-02 Delta_ex -0.7944271E-02 Delta_ec 0.2296498E-02 Delta_et -0.2103601E-01 Pxc 0.5102296E+01 Qxc -0.3459297E+01 3,+1 155 3 -1 1.847779 0.559026 2.741816 Rho 0.1309606E+00 |GRAD(Rho)| 0.1380701E-13 GRAD(Rho)x 0.1024559E-13 GRAD(Rho)y -0.8975364E-14 GRAD(Rho)z -0.2259271E-14 Laplacian 0.5493920E+00 (-1/4)Del**2(Rho)) -0.1373480E+00 Diamond 0.9499022E+00 Metallicity 0.4236091E+01 Ellipticity 0.1415172E-01 Gb(Abramov) 0.1885351E+00 Vb(Abramov) -0.2397222E+00 Hb(Abramov) -0.5118710E-01 Ex_ueg -0.4911784E-01 Ec_ueg -0.7236100E-02 Delta_ex -0.5712932E-01 Delta_ec 0.1449508E-01 Delta_et -0.1892234E+00 Pxc 0.6787888E+01 Qxc -0.3941291E+01 3,-1 156 3 +3 2.326913 -0.013764 -0.032415 Rho 0.4660169E-02 |GRAD(Rho)| 0.1161829E-15 GRAD(Rho)x -0.4286239E-16 GRAD(Rho)y 0.7697420E-16 GRAD(Rho)z -0.7573806E-16 Laplacian 0.1904661E-01 (-1/4)Del**2(Rho)) -0.4761651E-02 Diamond 0.1732149E-03 Metallicity 0.4703975E+00 Ellipticity -0.3106249E+00 Gb(Abramov) 0.3547746E-02 Vb(Abramov) -0.2333840E-02 Hb(Abramov) 0.1213906E-02 Ex_ueg -0.5748934E-03 Ec_ueg -0.1323179E-03 Delta_ex -0.6988111E-03 Delta_ec 0.1793650E-03 Delta_et -0.1124895E-02 Pxc 0.4344788E+01 Qxc -0.3896028E+01 3,+3 157 3 +1 2.173426 1.419568 -1.061660 Rho 0.2673396E-01 |GRAD(Rho)| 0.1295724E-13 GRAD(Rho)x -0.2152696E-14 GRAD(Rho)y -0.9733543E-14 GRAD(Rho)z -0.8277327E-14 Laplacian 0.1065395E+00 (-1/4)Del**2(Rho)) -0.2663487E-01 Diamond 0.1490855E-01 Metallicity 0.1545995E+01 Ellipticity -0.3248958E+01 Gb(Abramov) 0.2461948E-01 Vb(Abramov) -0.2260409E-01 Hb(Abramov) 0.2015393E-02 Ex_ueg -0.5903862E-02 Ec_ueg -0.1176407E-02 Delta_ex -0.6709087E-02 Delta_ec 0.1741647E-02 Delta_et -0.1563880E-01 Pxc 0.5018555E+01 Qxc -0.3852150E+01 3,+1 158 3 -1 0.880916 1.943613 -3.054221 Rho 0.1525795E+00 |GRAD(Rho)| 0.1216121E-15 GRAD(Rho)x 0.1081085E-15 GRAD(Rho)y 0.5178421E-16 GRAD(Rho)z -0.2050497E-16 Laplacian 0.5951816E+00 (-1/4)Del**2(Rho)) -0.1487954E+00 Diamond 0.1221078E+01 Metallicity 0.5044179E+01 Ellipticity 0.7105247E-01 Gb(Abramov) 0.2242887E+00 Vb(Abramov) -0.2997820E+00 Hb(Abramov) -0.7549329E-01 Ex_ueg -0.6021617E-01 Ec_ueg -0.8608840E-02 Delta_ex -0.6408816E-01 Delta_ec 0.1486309E-01 Delta_et -0.1979104E+00 Pxc 0.6994690E+01 Qxc -0.4311900E+01 3,-1 159 3 -1 1.770874 -2.810585 -0.568931 Rho 0.1537523E+00 |GRAD(Rho)| 0.2092497E-15 GRAD(Rho)x 0.1474515E-15 GRAD(Rho)y -0.1592422E-16 GRAD(Rho)z 0.1476141E-15 Laplacian 0.6446841E+00 (-1/4)Del**2(Rho)) -0.1611710E+00 Diamond 0.1338837E+01 Metallicity 0.4716670E+01 Ellipticity 0.1730186E-01 Gb(Abramov) 0.2341458E+00 Vb(Abramov) -0.3071205E+00 Hb(Abramov) -0.7297476E-01 Ex_ueg -0.6083411E-01 Ec_ueg -0.8684146E-02 Delta_ex -0.6958832E-01 Delta_ec 0.1613681E-01 Delta_et -0.2152545E+00 Pxc 0.7005193E+01 Qxc -0.4312396E+01 3,-1 160 3 +1 1.124248 2.168188 -1.359282 Rho 0.2773041E-01 |GRAD(Rho)| 0.2098308E-16 GRAD(Rho)x 0.1724901E-16 GRAD(Rho)y 0.5643937E-17 GRAD(Rho)z 0.1053125E-16 Laplacian 0.1132932E+00 (-1/4)Del**2(Rho)) -0.2832331E-01 Diamond 0.1862589E-01 Metallicity 0.1545265E+01 Ellipticity -0.7406914E+01 Gb(Abramov) 0.2617671E-01 Vb(Abramov) -0.2403011E-01 Hb(Abramov) 0.2146600E-02 Ex_ueg -0.6199073E-02 Ec_ueg -0.1227145E-02 Delta_ex -0.7389862E-02 Delta_ec 0.2181682E-02 Delta_et -0.1970827E-01 Pxc 0.5051624E+01 Qxc -0.3387232E+01 3,+1 161 3 -1 1.700778 -1.759461 0.530631 Rho 0.4689277E-01 |GRAD(Rho)| 0.1085624E-14 GRAD(Rho)x -0.3507017E-15 GRAD(Rho)y -0.7239349E-15 GRAD(Rho)z 0.7290444E-15 Laplacian 0.1909913E+00 (-1/4)Del**2(Rho)) -0.4774782E-01 Diamond 0.8769158E-01 Metallicity 0.2200102E+01 Ellipticity 0.1329724E-01 Gb(Abramov) 0.4934023E-01 Vb(Abramov) -0.5093263E-01 Hb(Abramov) -0.1592403E-02 Ex_ueg -0.1248896E-01 Ec_ueg -0.2243851E-02 Delta_ex -0.1542079E-01 Delta_ec 0.5606294E-02 Delta_et -0.5811009E-01 Pxc 0.5565859E+01 Qxc -0.2750621E+01 3,-1 162 3 -1 1.750996 -0.536234 1.691999 Rho 0.4758421E-01 |GRAD(Rho)| 0.1427753E-15 GRAD(Rho)x -0.1110426E-15 GRAD(Rho)y -0.6221563E-16 GRAD(Rho)z -0.6468028E-16 Laplacian 0.1936209E+00 (-1/4)Del**2(Rho)) -0.4840522E-01 Diamond 0.9062035E-01 Metallicity 0.2223817E+01 Ellipticity 0.1243404E-01 Gb(Abramov) 0.5021087E-01 Vb(Abramov) -0.5201652E-01 Hb(Abramov) -0.1805652E-02 Ex_ueg -0.1273509E-01 Ec_ueg -0.2281779E-02 Delta_ex -0.1568774E-01 Delta_ec 0.5677462E-02 Delta_et -0.5907279E-01 Pxc 0.5581212E+01 Qxc -0.2763161E+01 3,-1 163 3 -1 1.868591 -0.541594 -2.742292 Rho 0.1082658E+00 |GRAD(Rho)| 0.1752940E-13 GRAD(Rho)x 0.1398477E-13 GRAD(Rho)y 0.1024102E-13 GRAD(Rho)z 0.2612953E-14 Laplacian 0.4480717E+00 (-1/4)Del**2(Rho)) -0.1120179E+00 Diamond 0.6097144E+00 Metallicity 0.3782256E+01 Ellipticity 0.9605089E-02 Gb(Abramov) 0.1452920E+00 Vb(Abramov) -0.1785661E+00 Hb(Abramov) -0.3327410E-01 Ex_ueg -0.3811008E-01 Ec_ueg -0.5828426E-02 Delta_ex -0.4443052E-01 Delta_ec 0.1217730E-01 Delta_et -0.1534734E+00 Pxc 0.6538658E+01 Qxc -0.3648635E+01 3,-1 164 3 -1 2.024609 -0.838554 2.956030 Rho 0.1375026E+00 |GRAD(Rho)| 0.4840839E-13 GRAD(Rho)x 0.2936613E-13 GRAD(Rho)y 0.3385813E-13 GRAD(Rho)z -0.1829290E-13 Laplacian 0.5407836E+00 (-1/4)Del**2(Rho)) -0.1351959E+00 Diamond 0.9907438E+00 Metallicity 0.4667753E+01 Ellipticity 0.3043752E-01 Gb(Abramov) 0.1953074E+00 Vb(Abramov) -0.2554190E+00 Hb(Abramov) -0.6011154E-01 Ex_ueg -0.5241629E-01 Ec_ueg -0.7648366E-02 Delta_ex -0.5689349E-01 Delta_ec 0.1408849E-01 Delta_et -0.1853170E+00 Pxc 0.6853267E+01 Qxc -0.4038297E+01 3,-1 165 3 +1 2.901870 0.175072 -0.210324 Rho 0.5297236E-02 |GRAD(Rho)| 0.7284845E-15 GRAD(Rho)x 0.5072852E-16 GRAD(Rho)y 0.4327550E-15 GRAD(Rho)z -0.5838145E-15 Laplacian 0.2194299E-01 (-1/4)Del**2(Rho)) -0.5485748E-02 Diamond 0.5140521E-03 Metallicity 0.5055136E+00 Ellipticity -0.2277531E+01 Gb(Abramov) 0.4119352E-02 Vb(Abramov) -0.2752956E-02 Hb(Abramov) 0.1366396E-02 Ex_ueg -0.6819996E-03 Ec_ueg -0.1597264E-03 Delta_ex -0.1069752E-02 Delta_ec 0.6311427E-03 Delta_et -0.3511583E-02 Pxc 0.4269799E+01 Qxc -0.1694945E+01 3,+1 166 3 +1 2.904369 -0.143382 0.101563 Rho 0.5373837E-02 |GRAD(Rho)| 0.1309027E-12 GRAD(Rho)x -0.3776993E-13 GRAD(Rho)y 0.8865522E-13 GRAD(Rho)z -0.8859567E-13 Laplacian 0.2192397E-01 (-1/4)Del**2(Rho)) -0.5480993E-02 Diamond 0.5818600E-03 Metallicity 0.5182047E+00 Ellipticity -0.5292771E+01 Gb(Abramov) 0.4127375E-02 Vb(Abramov) -0.2773756E-02 Hb(Abramov) 0.1353618E-02 Ex_ueg -0.6951806E-03 Ec_ueg -0.1630358E-03 Delta_ex -0.1121030E-02 Delta_ec 0.7182902E-03 Delta_et -0.3975054E-02 Pxc 0.4263975E+01 Qxc -0.1560692E+01 3,+1 167 3 -1 1.784636 0.536720 -1.701283 Rho 0.4298347E-01 |GRAD(Rho)| 0.5772160E-15 GRAD(Rho)x 0.4133800E-15 GRAD(Rho)y -0.1660018E-15 GRAD(Rho)z -0.3670677E-15 Laplacian 0.1808885E+00 (-1/4)Del**2(Rho)) -0.4522213E-01 Diamond 0.7642920E-01 Metallicity 0.2009268E+01 Ellipticity 0.2267960E-01 Gb(Abramov) 0.4529198E-01 Vb(Abramov) -0.4536184E-01 Hb(Abramov) -0.6985572E-04 Ex_ueg -0.1112040E-01 Ec_ueg -0.2030864E-02 Delta_ex -0.1442953E-01 Delta_ec 0.5562332E-02 Delta_et -0.5638488E-01 Pxc 0.5475698E+01 Qxc -0.2594151E+01 3,-1 168 3 -1 2.052214 0.829947 -2.973611 Rho 0.1122808E+00 |GRAD(Rho)| 0.1536475E-15 GRAD(Rho)x -0.4687142E-16 GRAD(Rho)y 0.1367653E-15 GRAD(Rho)z -0.5201799E-16 Laplacian 0.4340244E+00 (-1/4)Del**2(Rho)) -0.1085061E+00 Diamond 0.6195894E+00 Metallicity 0.4148980E+01 Ellipticity 0.2465524E-01 Gb(Abramov) 0.1473690E+00 Vb(Abramov) -0.1862319E+00 Hb(Abramov) -0.3886291E-01 Ex_ueg -0.4000604E-01 Ec_ueg -0.6074802E-02 Delta_ex -0.4344646E-01 Delta_ec 0.1176380E-01 Delta_et -0.1493598E+00 Pxc 0.6585572E+01 Qxc -0.3693233E+01 3,-1 169 3 -1 2.759444 -1.859165 -0.556976 Rho 0.1283742E+00 |GRAD(Rho)| 0.1230438E-13 GRAD(Rho)x -0.5833895E-14 GRAD(Rho)y 0.1076033E-13 GRAD(Rho)z -0.1256509E-14 Laplacian 0.5383775E+00 (-1/4)Del**2(Rho)) -0.1345944E+00 Diamond 0.9102419E+00 Metallicity 0.4181405E+01 Ellipticity 0.1441683E-01 Gb(Abramov) 0.1835285E+00 Vb(Abramov) -0.2324627E+00 Hb(Abramov) -0.4893415E-01 Ex_ueg -0.4782869E-01 Ec_ueg -0.7073882E-02 Delta_ex -0.5573337E-01 Delta_ec 0.1430338E-01 Delta_et -0.1861681E+00 Pxc 0.6761308E+01 Qxc -0.3896516E+01 3,-1 170 3 -1 2.967576 -2.029819 0.835667 Rho 0.1333856E+00 |GRAD(Rho)| 0.1057382E-12 GRAD(Rho)x -0.4050472E-13 GRAD(Rho)y -0.6475045E-13 GRAD(Rho)z -0.7312533E-13 Laplacian 0.5251167E+00 (-1/4)Del**2(Rho)) -0.1312792E+00 Diamond 0.9278688E+00 Metallicity 0.4569535E+01 Ellipticity 0.2524508E-01 Gb(Abramov) 0.1875003E+00 Vb(Abramov) -0.2437213E+00 Hb(Abramov) -0.5622108E-01 Ex_ueg -0.5033424E-01 Ec_ueg -0.7388592E-02 Delta_ex -0.5484385E-01 Delta_ec 0.1378771E-01 Delta_et -0.1805100E+00 Pxc 0.6812426E+01 Qxc -0.3977733E+01 3,-1 171 3 -1 3.109776 3.264739 0.083534 Rho 0.2402858E+00 |GRAD(Rho)| 0.1194503E-13 GRAD(Rho)x -0.4740078E-14 GRAD(Rho)y -0.1076342E-13 GRAD(Rho)z 0.2089095E-14 Laplacian 0.8616231E+00 (-1/4)Del**2(Rho)) -0.2154058E+00 Diamond 0.3063886E+01 Metallicity 0.7427502E+01 Ellipticity 0.2443184E-02 Gb(Abramov) 0.4102583E+00 Vb(Abramov) -0.6051109E+00 Hb(Abramov) -0.1948526E+00 Ex_ueg -0.1103289E+00 Ec_ueg -0.1445887E-01 Delta_ex -0.1041988E+00 Delta_ec 0.1914304E-01 Delta_et -0.2656873E+00 Pxc 0.7630532E+01 Qxc -0.5443168E+01 3,-1 172 3 -1 2.829897 -0.580791 -1.777765 Rho 0.1436203E+00 |GRAD(Rho)| 0.4666144E-15 GRAD(Rho)x -0.4285987E-17 GRAD(Rho)y 0.2984266E-15 GRAD(Rho)z -0.3586812E-15 Laplacian 0.6044662E+00 (-1/4)Del**2(Rho)) -0.1511165E+00 Diamond 0.1143894E+01 Metallicity 0.4490219E+01 Ellipticity 0.2423539E-01 Gb(Abramov) 0.2138354E+00 Vb(Abramov) -0.2765543E+00 Hb(Abramov) -0.6271887E-01 Ex_ueg -0.5554856E-01 Ec_ueg -0.8036380E-02 Delta_ex -0.6402821E-01 Delta_ec 0.1514878E-01 Delta_et -0.1996477E+00 Pxc 0.6912137E+01 Qxc -0.4226624E+01 3,-1 173 3 -1 3.017768 -0.870603 1.938756 Rho 0.1493252E+00 |GRAD(Rho)| 0.1494777E-15 GRAD(Rho)x -0.1106835E-15 GRAD(Rho)y 0.2049142E-16 GRAD(Rho)z -0.9835069E-16 Laplacian 0.5888416E+00 (-1/4)Del**2(Rho)) -0.1472104E+00 Diamond 0.1189777E+01 Metallicity 0.4918545E+01 Ellipticity 0.4428953E-01 Gb(Abramov) 0.2188171E+00 Vb(Abramov) -0.2904238E+00 Hb(Abramov) -0.7160670E-01 Ex_ueg -0.5850990E-01 Ec_ueg -0.8400333E-02 Delta_ex -0.6319541E-01 Delta_ec 0.1500949E-01 Delta_et -0.1998006E+00 Pxc 0.6965187E+01 Qxc -0.4210363E+01 3,-1 174 3 -1 2.906725 -0.066508 0.025542 Rho 0.5377624E-02 |GRAD(Rho)| 0.9150534E-16 GRAD(Rho)x 0.7091720E-16 GRAD(Rho)y 0.4699312E-16 GRAD(Rho)z -0.3369905E-16 Laplacian 0.2164363E-01 (-1/4)Del**2(Rho)) -0.5410907E-02 Diamond 0.6299292E-03 Metallicity 0.5255336E+00 Ellipticity 0.5028378E+01 Gb(Abramov) 0.4081207E-02 Vb(Abramov) -0.2751507E-02 Hb(Abramov) 0.1329700E-02 Ex_ueg -0.6958339E-03 Ec_ueg -0.1631995E-03 Delta_ex -0.1153162E-02 Delta_ec 0.7917998E-03 Delta_et -0.4350935E-02 Pxc 0.4263701E+01 Qxc -0.1456380E+01 3,-1 175 3 -1 3.261100 0.059687 3.128518 Rho 0.2522429E+00 |GRAD(Rho)| 0.2345149E-14 GRAD(Rho)x -0.1498151E-14 GRAD(Rho)y -0.4149784E-15 GRAD(Rho)z -0.1755865E-14 Laplacian 0.9179874E+00 (-1/4)Del**2(Rho)) -0.2294968E+00 Diamond 0.3432783E+01 Metallicity 0.7559178E+01 Ellipticity 0.2051052E-02 Gb(Abramov) 0.4421325E+00 Vb(Abramov) -0.6547681E+00 Hb(Abramov) -0.2126356E+00 Ex_ueg -0.1177092E+00 Ec_ueg -0.1528953E-01 Delta_ex -0.1122952E+00 Delta_ec 0.1985147E-01 Delta_et -0.2747523E+00 Pxc 0.7698677E+01 Qxc -0.5656768E+01 3,-1 176 3 -1 3.286089 -0.058904 -3.130992 Rho 0.2408243E+00 |GRAD(Rho)| 0.2866627E-13 GRAD(Rho)x 0.2223157E-15 GRAD(Rho)y -0.1957535E-13 GRAD(Rho)z -0.2094066E-13 Laplacian 0.8622366E+00 (-1/4)Del**2(Rho)) -0.2155592E+00 Diamond 0.3075294E+01 Metallicity 0.7449961E+01 Ellipticity 0.1215275E-02 Gb(Abramov) 0.4113573E+00 Vb(Abramov) -0.6071554E+00 Hb(Abramov) -0.1957981E+00 Ex_ueg -0.1106587E+00 Ec_ueg -0.1449612E-01 Delta_ex -0.1043390E+00 Delta_ec 0.1915302E-01 Delta_et -0.2658871E+00 Pxc 0.7633679E+01 Qxc -0.5447652E+01 3,-1 177 3 -1 2.944744 2.044241 -0.832920 Rho 0.1016770E+00 |GRAD(Rho)| 0.2131680E-15 GRAD(Rho)x -0.9220801E-16 GRAD(Rho)y 0.1509684E-15 GRAD(Rho)z 0.1189404E-15 Laplacian 0.3941667E+00 (-1/4)Del**2(Rho)) -0.9854167E-01 Diamond 0.4989526E+00 Metallicity 0.3872321E+01 Ellipticity 0.1699302E-01 Gb(Abramov) 0.1292919E+00 Vb(Abramov) -0.1600422E+00 Hb(Abramov) -0.3075027E-01 Ex_ueg -0.3504953E-01 Ec_ueg -0.5426752E-02 Delta_ex -0.3854148E-01 Delta_ec 0.1091469E-01 Delta_et -0.1359831E+00 Pxc 0.6458657E+01 Qxc -0.3531158E+01 3,-1 178 3 -1 -2.974537 -2.036396 -0.847987 Rho 0.1379368E+00 |GRAD(Rho)| 0.4137306E-15 GRAD(Rho)x 0.3001749E-15 GRAD(Rho)y -0.2770272E-15 GRAD(Rho)z 0.6575686E-16 Laplacian 0.5415673E+00 (-1/4)Del**2(Rho)) -0.1353918E+00 Diamond 0.9978410E+00 Metallicity 0.4685554E+01 Ellipticity 0.2884300E-01 Gb(Abramov) 0.1959922E+00 Vb(Abramov) -0.2565925E+00 Hb(Abramov) -0.6060036E-01 Ex_ueg -0.5263710E-01 Ec_ueg -0.7675826E-02 Delta_ex -0.5704069E-01 Delta_ec 0.1413586E-01 Delta_et -0.1861072E+00 Pxc 0.6857516E+01 Qxc -0.4035177E+01 3,-1 179 3 -1 -2.762914 -1.860843 0.542834 Rho 0.1225107E+00 |GRAD(Rho)| 0.3011565E-14 GRAD(Rho)x 0.6692848E-15 GRAD(Rho)y -0.2208994E-14 GRAD(Rho)z -0.1934406E-14 Laplacian 0.5136683E+00 (-1/4)Del**2(Rho)) -0.1284171E+00 Diamond 0.8212689E+00 Metallicity 0.4054031E+01 Ellipticity 0.1541287E-01 Gb(Abramov) 0.1723792E+00 Vb(Abramov) -0.2163413E+00 Hb(Abramov) -0.4396212E-01 Ex_ueg -0.4493835E-01 Ec_ueg -0.6707798E-02 Delta_ex -0.5258680E-01 Delta_ec 0.1380407E-01 Delta_et -0.1782621E+00 Pxc 0.6699419E+01 Qxc -0.3809515E+01 3,-1 180 3 -1 -2.049720 0.829807 2.972419 Rho 0.1054142E+00 |GRAD(Rho)| 0.1595513E-13 GRAD(Rho)x -0.1033095E-13 GRAD(Rho)y -0.1055331E-13 GRAD(Rho)z -0.6038647E-14 Laplacian 0.4086600E+00 (-1/4)Del**2(Rho)) -0.1021650E+00 Diamond 0.5406874E+00 Metallicity 0.3966581E+01 Ellipticity 0.1903139E-01 Gb(Abramov) 0.1356510E+00 Vb(Abramov) -0.1691369E+00 Hb(Abramov) -0.3348596E-01 Ex_ueg -0.3677765E-01 Ec_ueg -0.5654177E-02 Delta_ex -0.4030382E-01 Delta_ec 0.1123603E-01 Delta_et -0.1409830E+00 Pxc 0.6504510E+01 Qxc -0.3587015E+01 3,-1 181 3 -1 1.945202 3.021351 -0.861119 Rho 0.1376380E+00 |GRAD(Rho)| 0.5583722E-15 GRAD(Rho)x 0.5173000E-16 GRAD(Rho)y -0.1611192E-15 GRAD(Rho)z 0.5321129E-15 Laplacian 0.5331171E+00 (-1/4)Del**2(Rho)) -0.1332793E+00 Diamond 0.9697792E+00 Metallicity 0.4742648E+01 Ellipticity 0.5588742E-01 Gb(Abramov) 0.1942023E+00 Vb(Abramov) -0.2551253E+00 Hb(Abramov) -0.6092302E-01 Ex_ueg -0.5248509E-01 Ec_ueg -0.7656924E-02 Delta_ex -0.5601012E-01 Delta_ec 0.1372440E-01 Delta_et -0.1802299E+00 Pxc 0.6854593E+01 Qxc -0.4081060E+01 3,-1 182 3 -1 3.140434 -3.274406 -0.054702 Rho 0.2522840E+00 |GRAD(Rho)| 0.7225048E-12 GRAD(Rho)x -0.4965542E-12 GRAD(Rho)y 0.5072445E-12 GRAD(Rho)z 0.1347226E-12 Laplacian 0.9171978E+00 (-1/4)Del**2(Rho)) -0.2292995E+00 Diamond 0.3431678E+01 Metallicity 0.7567743E+01 Ellipticity 0.2253613E-02 Gb(Abramov) 0.4420795E+00 Vb(Abramov) -0.6548596E+00 Hb(Abramov) -0.2127801E+00 Ex_ueg -0.1177348E+00 Ec_ueg -0.1529240E-01 Delta_ex -0.1122092E+00 Delta_ec 0.1984385E-01 Delta_et -0.2746970E+00 Pxc 0.7698906E+01 Qxc -0.5654611E+01 3,-1 183 3 -1 2.729460 1.849204 0.549971 Rho 0.1229691E+00 |GRAD(Rho)| 0.2494946E-15 GRAD(Rho)x 0.6535706E-16 GRAD(Rho)y 0.2306911E-15 GRAD(Rho)z -0.6897559E-16 Laplacian 0.5113342E+00 (-1/4)Del**2(Rho)) -0.1278335E+00 Diamond 0.8087026E+00 Metallicity 0.4097966E+01 Ellipticity 0.3016434E-02 Gb(Abramov) 0.1725320E+00 Vb(Abramov) -0.2172304E+00 Hb(Abramov) -0.4469841E-01 Ex_ueg -0.4516269E-01 Ec_ueg -0.6736334E-02 Delta_ex -0.5223209E-01 Delta_ec 0.1343927E-01 Delta_et -0.1731713E+00 Pxc 0.6704342E+01 Qxc -0.3886527E+01 3,-1 184 3 -1 3.042103 0.871516 -1.966781 Rho 0.1596313E+00 |GRAD(Rho)| 0.1492227E-15 GRAD(Rho)x 0.6942960E-16 GRAD(Rho)y -0.2650874E-16 GRAD(Rho)z -0.1293995E-15 Laplacian 0.6203070E+00 (-1/4)Del**2(Rho)) -0.1550767E+00 Diamond 0.1341991E+01 Metallicity 0.5218388E+01 Ellipticity 0.7465395E-01 Gb(Abramov) 0.2382596E+00 Vb(Abramov) -0.3214425E+00 Hb(Abramov) -0.8318286E-01 Ex_ueg -0.6395517E-01 Ec_ueg -0.9062877E-02 Delta_ex -0.6753060E-01 Delta_ec 0.1528846E-01 Delta_et -0.2046985E+00 Pxc 0.7056829E+01 Qxc -0.4417097E+01 3,-1 185 3 -1 2.796732 0.564705 1.751718 Rho 0.1492188E+00 |GRAD(Rho)| 0.2515922E-15 GRAD(Rho)x 0.1196959E-15 GRAD(Rho)y 0.1981379E-15 GRAD(Rho)z -0.9855398E-16 Laplacian 0.6247920E+00 (-1/4)Del**2(Rho)) -0.1561980E+00 Diamond 0.1253240E+01 Metallicity 0.4630025E+01 Ellipticity 0.1472773E-01 Gb(Abramov) 0.2246655E+00 Vb(Abramov) -0.2931329E+00 Hb(Abramov) -0.6846745E-01 Ex_ueg -0.5845427E-01 Ec_ueg -0.8393522E-02 Delta_ex -0.6696073E-01 Delta_ec 0.1578370E-01 Delta_et -0.2097548E+00 Pxc 0.6964213E+01 Qxc -0.4242397E+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 82 120 111 129 149 142 130 110 150 144 109 105 141 145 126 113 158 153 132 115 146 152 107 114 134 161 169 159 170 143 182 138 183 133 177 181 171 97 75 99 76 100 62 94 179 90 178 89 74 86 71 72 56 82 69 104 79 85 73 180 68 162 185 155 173 164 175 167 172 163 184 168 176 136 59 139 123 64 174 119 116 108 127 1 1 1 1 1 1 2 2 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 13 14 15 16 17 18 21 22 25 26 13 24 26 33 39 41 14 21 28 36 37 42 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 52 53 53 53 53 19 20 23 24 27 28 2.389031 1.896249 1.950907 1.938391 1.980850 1.725224 2.424745 1.879070 1.980713 1.932343 2.018940 1.715020 2.398515 1.924617 2.021127 1.892843 1.972514 1.715065 2.398578 1.915427 2.043071 1.876127 1.983118 1.715368 2.394668 1.973463 1.902400 1.970340 1.916960 1.724936 2.399615 1.968206 1.862642 2.058897 1.935231 1.716377 2.395285 1.984824 1.878925 2.031408 1.924450 1.716146 2.386833 1.992101 1.922858 1.957133 1.893470 1.725161 2.375041 1.903154 1.955043 1.935727 1.973027 1.725845 2.407820 1.889017 1.991750 1.894603 2.043309 1.715631 2.389835 1.914180 1.965654 1.925039 1.958479 1.725008 2.409077 1.903732 2.020126 1.875429 2.017879 1.715450 1.702683 1.699096 1.691931 1.692212 3.259750 3.265931 3.273263 3.267288 3.263484 3.266481 2.390702 1.896720 1.951267 1.939083 1.981527 1.725228 2.426273 1.879655 1.981229 1.933183 2.019767 1.715032 2.400382 1.925200 2.021649 1.893583 1.973339 1.715082 2.400503 1.915997 2.043586 1.876814 1.983961 1.715385 2.396389 1.973836 1.902891 1.971019 1.917612 1.724940 2.401462 1.968704 1.863196 2.059673 1.936084 1.716391 2.397102 1.985365 1.879491 2.032178 1.925287 1.716161 2.388658 1.992499 1.923315 1.957802 1.894065 1.725165 2.376736 1.903632 1.955443 1.936414 1.973693 1.725848 2.409749 1.889558 1.992337 1.895387 2.044071 1.715647 2.391493 1.914680 1.966051 1.925711 1.959148 1.725014 2.411021 1.904298 2.020646 1.876138 2.018719 1.715466 1.702686 1.699101 1.691935 1.692216 3.271818 3.277481 3.284389 3.281372 3.272916 3.278090 30 27 27 26 27 23 29 25 25 27 26 23 27 27 27 25 25 23 31 25 25 25 27 24 27 26 25 28 27 22 31 30 29 27 27 25 30 27 27 27 27 24 30 27 27 28 26 23 30 27 27 28 28 23 30 26 26 26 30 23 27 27 25 28 25 23 27 28 24 27 25 24 26 22 23 23 35 35 35 35 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W Mo Mo Mo W Mo Mo W W Mo 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 O As 2.5228 2.4035 2.3647 2.3688 2.5169 2.3809 2.3802 2.5042 2.5018 2.3767 2.5173 2.3711 -1.1445 -1.1395 -1.1300 -1.1302 -0.9112 -0.9131 -0.9232 -0.9245 -0.8929 -0.9162 -0.9151 -0.9250 -0.8913 -0.9513 -0.8872 -0.9226 -0.9455 -0.9435 -0.8717 -0.8775 -0.9470 -0.8740 -0.8711 -0.9079 -0.9125 -0.8812 -0.9465 -0.8829 -0.7402 -0.6622 -0.6583 -0.6594 -0.7384 -0.6630 -0.6623 -0.7383 -0.7391 -0.6611 -0.7383 -0.6602 2.4910 2.0801 1.9338 1.9223 1.9181 2.0792 1.9160 1.9159 2.0832 2.0824 1.9214 2.0791 1.9187 1.9346 1.9361 1.9398 1.9395 1.9415 1.9409 1.9392 1.9390 1.9457 1.9400 1.9400 1.9387 1.9457 1.9346 1.9474 1.9387 1.9477 1.9487 1.9575 1.9559 1.9476 1.9556 1.9568 1.9509 1.9499 1.9543 1.9479 1.9542 1.9745 1.9859 1.9857 1.9855 1.9745 1.9855 1.9854 1.9746 1.9742 1.9858 1.9744 1.9857 0.8055 6.0792 6.0481 6.0706 6.0694 6.0782 6.0672 6.0670 6.0845 6.0846 6.0695 6.0789 6.0682 5.1706 5.1641 5.1510 5.1514 4.9413 4.9439 4.9556 4.9572 4.9208 4.9482 4.9471 4.9580 4.9190 4.9865 4.9127 4.9555 4.9649 4.9617 4.8854 4.8932 4.9666 4.8893 4.8850 4.9266 4.9317 4.8983 4.9658 4.9003 4.7276 4.6402 4.6364 4.6377 4.7256 4.6415 4.6409 4.7254 4.7268 4.6393 4.7257 4.6383 1.1517 3.2890 3.6146 3.6425 3.6437 3.2969 3.6358 3.6368 3.2993 3.3023 3.6324 3.2958 3.6421 0.0394 0.0393 0.0393 0.0393 0.0284 0.0283 0.0284 0.0283 0.0265 0.0279 0.0280 0.0284 0.0266 0.0302 0.0271 0.0284 0.0329 0.0330 0.0288 0.0284 0.0327 0.0291 0.0293 0.0303 0.0309 0.0285 0.0329 0.0284 0.0381 0.0361 0.0362 0.0362 0.0382 0.0360 0.0360 0.0382 0.0381 0.0361 0.0382 0.0362 10.5518 14.0289 0.0000 0.0000 0.0000 14.0289 0.0000 0.0000 14.0289 14.0289 0.0000 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 Mo Mo Mo W Mo Mo W W Mo 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 O As 2.520883 3.177839 3.179750 3.178510 2.519997 3.176244 3.177260 2.520500 2.519293 3.177826 2.520274 3.177212 -1.103049 -1.138797 -1.216213 -1.217186 -1.063504 -1.059262 -1.043198 -1.049061 -1.159306 -1.058830 -1.056231 -1.043577 -1.158239 -0.940763 -1.153068 -1.043375 -0.911315 -0.909343 -1.111439 -1.116989 -0.912555 -1.117782 -1.114269 -1.024888 -1.002222 -1.123011 -0.911676 -1.123918 -0.764118 -0.927693 -0.921799 -0.923038 -0.761695 -0.926635 -0.925832 -0.761196 -0.762445 -0.925635 -0.761846 -0.924030 2.323437 1.953998 2.379125 2.390097 2.390335 1.962462 2.387139 2.387944 1.961383 1.963544 2.382857 1.960543 2.389457 -0.772106 -0.822543 -0.931985 -0.930405 -0.812760 -0.809288 -0.801582 -0.802553 -0.907768 -0.807283 -0.802776 -0.805146 -0.905461 -0.703812 -0.904215 -0.804563 -0.734581 -0.730168 -0.901268 -0.905153 -0.735436 -0.896873 -0.899691 -0.821568 -0.823516 -0.896207 -0.740067 -0.896306 -0.645491 -0.681087 -0.665587 -0.665780 -0.639042 -0.670589 -0.670142 -0.636719 -0.636483 -0.671211 -0.640288 -0.666423 1.685039 2.048059 2.456564 2.465852 2.465019 2.057474 2.461140 2.463071 2.054671 2.057353 2.457376 2.055334 2.464154 -0.818412 -0.853708 -0.931278 -0.930149 -0.889722 -0.891417 -0.880249 -0.881811 -0.978518 -0.892948 -0.887510 -0.880015 -0.978775 -0.786919 -0.972808 -0.882102 -0.763294 -0.764387 -0.940068 -0.947563 -0.767213 -0.930837 -0.934478 -0.856515 -0.856499 -0.935131 -0.770630 -0.939173 -0.615028 -0.644628 -0.622650 -0.623586 -0.607835 -0.626750 -0.626720 -0.602619 -0.601627 -0.628315 -0.609358 -0.624419 1.669596 0.20190802 2.71447891 -0.92716506 2.87555171 -2.80007077 -0.37281558 -6.80105731 0.86418822 3.41049275 1.93588255 -374.1681 414.5590 -123.1994 -355.4338 -10.3132 -448.5555 Jun12-2024 02:34:05 Nodes: 1 Procs: 1 Jun12-2024 02:34:07 Nodes: 1 Procs: 1 0 Jun12-2024 02:34:10 Nodes: 1 Procs: 1 Jun12-2024 02:34:12 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 02:34:15 Nodes: 1 Procs: 1 Jun12-2024 02:34:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 02:34:19 Nodes: 1 Procs: 1 Jun12-2024 02:34:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 02:34:25 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.41056224 -16.47737379 -16.48115493 -16.48279649 -16.48329156 -16.48368693 -16.48376685 -16.48384980 -16.48387628 -16.48392950 -16.48396084 -16.48399591 -16.48403716 -16.48407944 -16.48410064 -16.48411255 GEOMETRY CONVERGED