ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 18:53:20 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 0.02 0.40 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 May03-2024 18:53:20 Nodes: 1 Procs: 1 May03-2024 18:53:20 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 18:53:21 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.02 0.81 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 May03-2024 18:53:20 Nodes: 1 Procs: 1 May03-2024 18:53:20 Nodes: 1 Procs: 1 0 May03-2024 18:53:21 Nodes: 1 Procs: 1 May03-2024 18:53:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 18:53:22 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.02 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 May03-2024 18:53:20 Nodes: 1 Procs: 1 May03-2024 18:53:20 Nodes: 1 Procs: 1 0 May03-2024 18:53:21 Nodes: 1 Procs: 1 May03-2024 18:53:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May03-2024 18:53:22 Nodes: 1 Procs: 1 May03-2024 18:53:23 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 18:53:23 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.02 0.51 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 May03-2024 18:53:20 Nodes: 1 Procs: 1 May03-2024 18:53:20 Nodes: 1 Procs: 1 0 May03-2024 18:53:21 Nodes: 1 Procs: 1 May03-2024 18:53:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May03-2024 18:53:22 Nodes: 1 Procs: 1 May03-2024 18:53:23 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May03-2024 18:53:23 Nodes: 1 Procs: 1 May03-2024 18:53:24 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 18:53:24 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.03 1.42 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 May03-2024 18:53:20 Nodes: 1 Procs: 1 May03-2024 18:53:20 Nodes: 1 Procs: 1 0 May03-2024 18:53:21 Nodes: 1 Procs: 1 May03-2024 18:53:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May03-2024 18:53:22 Nodes: 1 Procs: 1 May03-2024 18:53:23 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May03-2024 18:53:23 Nodes: 1 Procs: 1 May03-2024 18:53:24 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May03-2024 18:53:24 Nodes: 1 Procs: 1 May03-2024 18:53:25 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 18:53:27 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2325.590361000001 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0.1398079E-14 GRAD(Rho)y 0.1095673E-13 GRAD(Rho)z 0.5943976E-14 Laplacian 0.9075639E+00 (-1/4)Del**2(Rho)) -0.2268910E+00 Diamond 0.3276847E+01 Metallicity 0.7292810E+01 Ellipticity 0.1869076E-02 Gb(Abramov) 0.4270395E+00 Vb(Abramov) -0.6271879E+00 Hb(Abramov) -0.2001485E+00 Ex_ueg -0.1133389E+00 Ec_ueg -0.1479833E-01 Delta_ex -0.1101809E+00 Delta_ec 0.1976803E-01 Delta_et -0.2733075E+00 Pxc 0.7658895E+01 Qxc -0.5573691E+01 3,-1 56 3 +1 -1.781393 1.760239 -1.729508 Rho 0.1127746E-01 |GRAD(Rho)| 0.3476462E-14 GRAD(Rho)x -0.1828115E-14 GRAD(Rho)y -0.2727663E-14 GRAD(Rho)z -0.1141769E-14 Laplacian 0.5480316E-01 (-1/4)Del**2(Rho)) -0.1370079E-01 Diamond 0.2061089E-02 Metallicity 0.7131152E+00 Ellipticity -0.1292243E+01 Gb(Abramov) 0.1076223E-01 Vb(Abramov) -0.7823677E-02 Hb(Abramov) 0.2938556E-02 Ex_ueg -0.1867813E-02 Ec_ueg -0.4263176E-03 Delta_ex -0.2664066E-02 Delta_ec 0.7361811E-03 Delta_et -0.5416982E-02 Pxc 0.4381272E+01 Qxc -0.3618765E+01 3,+1 57 3 +3 -1.832834 1.859646 1.870701 Rho 0.1188178E-01 |GRAD(Rho)| 0.6439627E-16 GRAD(Rho)x 0.2969721E-16 GRAD(Rho)y -0.5027654E-17 GRAD(Rho)z -0.5691817E-16 Laplacian 0.5373589E-01 (-1/4)Del**2(Rho)) -0.1343397E-01 Diamond 0.1133261E-02 Metallicity 0.7933856E+00 Ellipticity -0.6087913E+00 Gb(Abramov) 0.1073237E-01 Vb(Abramov) -0.8030765E-02 Hb(Abramov) 0.2701604E-02 Ex_ueg -0.2002443E-02 Ec_ueg -0.4541141E-03 Delta_ex -0.2344315E-02 Delta_ec 0.1794457E-03 Delta_et -0.1742479E-02 Pxc 0.4409559E+01 Qxc -0.1306420E+02 3,+3 58 3 -1 -2.969486 0.874746 2.042652 Rho 0.1442485E+00 |GRAD(Rho)| 0.2089067E-15 GRAD(Rho)x 0.1350374E-15 GRAD(Rho)y -0.1593913E-15 GRAD(Rho)z 0.1151965E-17 Laplacian 0.5755149E+00 (-1/4)Del**2(Rho)) -0.1438787E+00 Diamond 0.1115649E+01 Metallicity 0.4750527E+01 Ellipticity 0.4360065E-01 Gb(Abramov) 0.2098358E+00 Vb(Abramov) -0.2757929E+00 Hb(Abramov) -0.6595707E-01 Ex_ueg -0.5587274E-01 Ec_ueg -0.8076354E-02 Delta_ex -0.6124540E-01 Delta_ec 0.1479768E-01 Delta_et -0.1960095E+00 Pxc 0.6918064E+01 Qxc -0.4138853E+01 3,-1 59 3 +1 1.663837 -0.571319 -0.541907 Rho 0.8121041E-02 |GRAD(Rho)| 0.5522868E-17 GRAD(Rho)x -0.5141863E-17 GRAD(Rho)y -0.1995485E-17 GRAD(Rho)z -0.2852317E-18 Laplacian 0.3360410E-01 (-1/4)Del**2(Rho)) -0.8401024E-02 Diamond 0.8648010E-03 Metallicity 0.6728327E+00 Ellipticity -0.1400869E+01 Gb(Abramov) 0.6542764E-02 Vb(Abramov) -0.4684503E-02 Hb(Abramov) 0.1858261E-02 Ex_ueg -0.1205593E-02 Ec_ueg -0.2836014E-03 Delta_ex -0.1529187E-02 Delta_ec 0.5015595E-03 Delta_et -0.3354194E-02 Pxc 0.4251012E+01 Qxc -0.3048864E+01 3,+1 60 3 -1 -2.835456 1.802083 -0.565865 Rho 0.1916186E+00 |GRAD(Rho)| 0.4477342E-15 GRAD(Rho)x -0.6388661E-16 GRAD(Rho)y -0.4272841E-15 GRAD(Rho)z -0.1175275E-15 Laplacian 0.7716908E+00 (-1/4)Del**2(Rho)) -0.1929227E+00 Diamond 0.2050623E+01 Metallicity 0.5687208E+01 Ellipticity 0.3022407E-01 Gb(Abramov) 0.3114804E+00 Vb(Abramov) -0.4300381E+00 Hb(Abramov) -0.1185577E+00 Ex_ueg -0.8158966E-01 Ec_ueg -0.1115910E-01 Delta_ex -0.8775467E-01 Delta_ec 0.1776505E-01 Delta_et -0.2413331E+00 Pxc 0.7311494E+01 Qxc -0.4939736E+01 3,-1 61 3 +1 -0.641654 -1.686928 0.549652 Rho 0.8955983E-02 |GRAD(Rho)| 0.2661922E-12 GRAD(Rho)x -0.2239264E-12 GRAD(Rho)y 0.1298761E-12 GRAD(Rho)z 0.6202762E-13 Laplacian 0.3722499E-01 (-1/4)Del**2(Rho)) -0.9306248E-02 Diamond 0.1093782E-02 Metallicity 0.7149911E+00 Ellipticity -0.1433679E+01 Gb(Abramov) 0.7313146E-02 Vb(Abramov) -0.5320044E-02 Hb(Abramov) 0.1993102E-02 Ex_ueg -0.1373629E-02 Ec_ueg -0.3209358E-03 Delta_ex -0.1735650E-02 Delta_ec 0.5550319E-03 Delta_et -0.3808300E-02 Pxc 0.4280074E+01 Qxc -0.3127118E+01 3,+1 62 3 +1 -2.140990 1.328571 1.081026 Rho 0.2459300E-01 |GRAD(Rho)| 0.3681515E-16 GRAD(Rho)x -0.3080784E-16 GRAD(Rho)y 0.1603411E-16 GRAD(Rho)z 0.1221229E-16 Laplacian 0.9622998E-01 (-1/4)Del**2(Rho)) -0.2405749E-01 Diamond 0.1214492E-01 Metallicity 0.1489322E+01 Ellipticity -0.3326175E+01 Gb(Abramov) 0.2200989E-01 Vb(Abramov) -0.1996228E-01 Hb(Abramov) 0.2047607E-02 Ex_ueg -0.5282023E-02 Ec_ueg -0.1068244E-02 Delta_ex -0.5941086E-02 Delta_ec 0.1601295E-02 Delta_et -0.1408593E-01 Pxc 0.4944585E+01 Qxc -0.3710176E+01 3,+1 63 3 -1 -3.003374 1.978449 0.868870 Rho 0.1278004E+00 |GRAD(Rho)| 0.8315746E-16 GRAD(Rho)x 0.1666283E-16 GRAD(Rho)y 0.7470831E-16 GRAD(Rho)z -0.3249896E-16 Laplacian 0.4961350E+00 (-1/4)Del**2(Rho)) -0.1240338E+00 Diamond 0.8287679E+00 Metallicity 0.4503675E+01 Ellipticity 0.3493268E-01 Gb(Abramov) 0.1757905E+00 Vb(Abramov) -0.2275472E+00 Hb(Abramov) -0.5175670E-01 Ex_ueg -0.4754389E-01 Ec_ueg -0.7037958E-02 Delta_ex -0.5123670E-01 Delta_ec 0.1307288E-01 Delta_et -0.1698055E+00 Pxc 0.6755353E+01 Qxc -0.3919313E+01 3,-1 64 3 +1 -2.003334 2.034389 2.057024 Rho 0.1223843E-01 |GRAD(Rho)| 0.3846944E-13 GRAD(Rho)x 0.3541021E-13 GRAD(Rho)y 0.1145484E-13 GRAD(Rho)z 0.9736603E-14 Laplacian 0.5720533E-01 (-1/4)Del**2(Rho)) -0.1430133E-01 Diamond 0.1987954E-02 Metallicity 0.7829241E+00 Ellipticity -0.1182748E+01 Gb(Abramov) 0.1140037E-01 Vb(Abramov) -0.8499397E-02 Hb(Abramov) 0.2900968E-02 Ex_ueg -0.2082985E-02 Ec_ueg -0.4705871E-03 Delta_ex -0.2723235E-02 Delta_ec 0.5580895E-03 Delta_et -0.4345139E-02 Pxc 0.4426354E+01 Qxc -0.4879568E+01 3,+1 65 3 -1 -1.997179 -3.069725 -0.720732 Rho 0.1534660E+00 |GRAD(Rho)| 0.6642812E-15 GRAD(Rho)x 0.2976677E-15 GRAD(Rho)y -0.2963667E-15 GRAD(Rho)z -0.5146166E-15 Laplacian 0.5770274E+00 (-1/4)Del**2(Rho)) -0.1442568E+00 Diamond 0.1230311E+01 Metallicity 0.5253357E+01 Ellipticity 0.1154511E+00 Gb(Abramov) 0.2224767E+00 Vb(Abramov) -0.3006965E+00 Hb(Abramov) -0.7821985E-01 Ex_ueg -0.6068312E-01 Ec_ueg -0.8665755E-02 Delta_ex -0.6259156E-01 Delta_ec 0.1504799E-01 Delta_et -0.2021166E+00 Pxc 0.7002635E+01 Qxc -0.4159464E+01 3,-1 66 3 +1 -1.787168 -1.723540 1.807904 Rho 0.1254474E-01 |GRAD(Rho)| 0.2849104E-14 GRAD(Rho)x 0.1792655E-14 GRAD(Rho)y 0.2512418E-15 GRAD(Rho)z 0.2200150E-14 Laplacian 0.6315228E-01 (-1/4)Del**2(Rho)) -0.1578807E-01 Diamond 0.2656760E-02 Metallicity 0.7390273E+00 Ellipticity -0.1249116E+01 Gb(Abramov) 0.1247002E-01 Vb(Abramov) -0.9151962E-02 Hb(Abramov) 0.3318054E-02 Ex_ueg -0.2152786E-02 Ec_ueg -0.4847744E-03 Delta_ex -0.3131943E-02 Delta_ec 0.8038276E-03 Delta_et -0.6104942E-02 Pxc 0.4440800E+01 Qxc -0.3896287E+01 3,+1 67 3 -1 -1.856519 -2.752691 0.615001 Rho 0.1298616E+00 |GRAD(Rho)| 0.1784724E-15 GRAD(Rho)x -0.8188437E-16 GRAD(Rho)y -0.1500163E-15 GRAD(Rho)z 0.5140474E-16 Laplacian 0.5437869E+00 (-1/4)Del**2(Rho)) -0.1359467E+00 Diamond 0.9351245E+00 Metallicity 0.4220064E+01 Ellipticity 0.2050033E-01 Gb(Abramov) 0.1862484E+00 Vb(Abramov) -0.2365502E+00 Hb(Abramov) -0.5030173E-01 Ex_ueg -0.4856903E-01 Ec_ueg -0.7167118E-02 Delta_ex -0.5648475E-01 Delta_ec 0.1447059E-01 Delta_et -0.1888191E+00 Pxc 0.6776646E+01 Qxc -0.3903419E+01 3,-1 68 3 -1 -1.762977 -1.668083 -0.478780 Rho 0.4926055E-01 |GRAD(Rho)| 0.1028939E-13 GRAD(Rho)x -0.6832533E-14 GRAD(Rho)y -0.7184575E-14 GRAD(Rho)z 0.2751330E-14 Laplacian 0.1955266E+00 (-1/4)Del**2(Rho)) -0.4888164E-01 Diamond 0.9723882E-01 Metallicity 0.2332954E+01 Ellipticity 0.1246224E-01 Gb(Abramov) 0.5159420E-01 Vb(Abramov) -0.5430675E-01 Hb(Abramov) -0.2712554E-02 Ex_ueg -0.1333677E-01 Ec_ueg -0.2374041E-02 Delta_ex -0.1603881E-01 Delta_ec 0.5835082E-02 Delta_et -0.6129291E-01 Pxc 0.5617752E+01 Qxc -0.2748687E+01 3,-1 69 3 +1 0.023719 -2.954143 0.094168 Rho 0.4595421E-02 |GRAD(Rho)| 0.4978306E-13 GRAD(Rho)x -0.3405222E-13 GRAD(Rho)y 0.1217896E-13 GRAD(Rho)z -0.3421216E-13 Laplacian 0.1882782E-01 (-1/4)Del**2(Rho)) -0.4706954E-02 Diamond 0.3653898E-03 Metallicity 0.4648956E+00 Ellipticity -0.2027078E+01 Gb(Abramov) 0.3502677E-02 Vb(Abramov) -0.2298399E-02 Hb(Abramov) 0.1204278E-02 Ex_ueg -0.5642681E-03 Ec_ueg -0.1295439E-03 Delta_ex -0.8934335E-03 Delta_ec 0.5435100E-03 Delta_et -0.2897923E-02 Pxc 0.4355806E+01 Qxc -0.1643822E+01 3,+1 70 3 +1 -0.569209 -0.559276 1.706387 Rho 0.8702760E-02 |GRAD(Rho)| 0.7165058E-15 GRAD(Rho)x -0.2519717E-15 GRAD(Rho)y 0.6107566E-15 GRAD(Rho)z -0.2772495E-15 Laplacian 0.3633559E-01 (-1/4)Del**2(Rho)) -0.9083898E-02 Diamond 0.1019858E-02 Metallicity 0.6983009E+00 Ellipticity -0.1409850E+01 Gb(Abramov) 0.7113147E-02 Vb(Abramov) -0.5142397E-02 Hb(Abramov) 0.1970750E-02 Ex_ueg -0.1322090E-02 Ec_ueg -0.3095802E-03 Delta_ex -0.1678968E-02 Delta_ec 0.5363230E-03 Delta_et -0.3656699E-02 Pxc 0.4270590E+01 Qxc -0.3130516E+01 3,+1 71 3 -1 -1.738645 1.659162 0.486132 Rho 0.3709850E-01 |GRAD(Rho)| 0.6454685E-14 GRAD(Rho)x -0.2661753E-14 GRAD(Rho)y -0.4568454E-14 GRAD(Rho)z 0.3702331E-14 Laplacian 0.1498017E+00 (-1/4)Del**2(Rho)) -0.3745044E-01 Diamond 0.5183214E-01 Metallicity 0.1898265E+01 Ellipticity 0.6613423E-02 Gb(Abramov) 0.3681543E-01 Vb(Abramov) -0.3618043E-01 Hb(Abramov) 0.6350018E-03 Ex_ueg -0.9138190E-02 Ec_ueg -0.1715243E-02 Delta_ex -0.1152569E-01 Delta_ec 0.4612567E-02 Delta_et -0.4492469E-01 Pxc 0.5327637E+01 Qxc -0.2498758E+01 3,-1 72 3 +1 -1.724067 -0.512634 0.570716 Rho 0.9874635E-02 |GRAD(Rho)| 0.2959658E-15 GRAD(Rho)x 0.2152333E-15 GRAD(Rho)y 0.1827092E-15 GRAD(Rho)z -0.8881272E-16 Laplacian 0.4182305E-01 (-1/4)Del**2(Rho)) -0.1045576E-01 Diamond 0.1408519E-02 Metallicity 0.7488575E+00 Ellipticity -0.1456370E+01 Gb(Abramov) 0.8275487E-02 Vb(Abramov) -0.6095213E-02 Hb(Abramov) 0.2180275E-02 Ex_ueg -0.1564635E-02 Ec_ueg -0.3623657E-03 Delta_ex -0.2000480E-02 Delta_ec 0.6266877E-03 Delta_et -0.4408031E-02 Pxc 0.4317835E+01 Qxc -0.3192149E+01 3,+1 73 3 -1 0.019783 -3.267202 -1.247412 Rho 0.3920052E-01 |GRAD(Rho)| 0.6080072E-16 GRAD(Rho)x -0.4966098E-16 GRAD(Rho)y -0.3481779E-16 GRAD(Rho)z 0.4270413E-17 Laplacian 0.1142945E+00 (-1/4)Del**2(Rho)) -0.2857361E-01 Diamond 0.6640929E-01 Metallicity 0.2727351E+01 Ellipticity 0.2806359E-02 Gb(Abramov) 0.3203745E-01 Vb(Abramov) -0.3550129E-01 Hb(Abramov) -0.3463839E-02 Ex_ueg -0.9834994E-02 Ec_ueg -0.1827249E-02 Delta_ex -0.1033152E-01 Delta_ec 0.6050061E-02 Delta_et -0.6006790E-01 Pxc 0.5382405E+01 Qxc -0.1707671E+01 3,-1 74 3 +1 -2.181538 -1.074121 -1.378637 Rho 0.2669780E-01 |GRAD(Rho)| 0.1511919E-15 GRAD(Rho)x -0.1135718E-15 GRAD(Rho)y 0.1593095E-16 GRAD(Rho)z -0.9852237E-16 Laplacian 0.1085006E+00 (-1/4)Del**2(Rho)) -0.2712515E-01 Diamond 0.1521118E-01 Metallicity 0.1514631E+01 Ellipticity -0.3082005E+01 Gb(Abramov) 0.2493086E-01 Vb(Abramov) -0.2273658E-01 Hb(Abramov) 0.2194285E-02 Ex_ueg -0.5893215E-02 Ec_ueg -0.1174570E-02 Delta_ex -0.6835711E-02 Delta_ec 0.1783744E-02 Delta_et -0.1600971E-01 Pxc 0.5017339E+01 Qxc -0.3832226E+01 3,+1 75 3 +1 -0.219807 -2.243155 -1.064936 Rho 0.7486789E-02 |GRAD(Rho)| 0.1623037E-16 GRAD(Rho)x -0.1217440E-16 GRAD(Rho)y 0.1050660E-16 GRAD(Rho)z 0.2195509E-17 Laplacian 0.3020559E-01 (-1/4)Del**2(Rho)) -0.7551398E-02 Diamond 0.9450924E-03 Metallicity 0.6536599E+00 Ellipticity -0.1919773E+01 Gb(Abramov) 0.5856940E-02 Vb(Abramov) -0.4162481E-02 Hb(Abramov) 0.1694458E-02 Ex_ueg -0.1081714E-02 Ec_ueg -0.2554507E-03 Delta_ex -0.1482114E-02 Delta_ec 0.6919443E-03 Delta_et -0.4337807E-02 Pxc 0.4234532E+01 Qxc -0.2141956E+01 3,+1 76 3 -1 0.233013 -1.163699 -1.872481 Rho 0.6001019E-02 |GRAD(Rho)| 0.8819647E-17 GRAD(Rho)x -0.8561094E-17 GRAD(Rho)y 0.1505707E-17 GRAD(Rho)z -0.1492207E-17 Laplacian 0.2426523E-01 (-1/4)Del**2(Rho)) -0.6066309E-02 Diamond 0.8819570E-03 Metallicity 0.5627778E+00 Ellipticity 0.6987181E+00 Gb(Abramov) 0.4613203E-02 Vb(Abramov) -0.3160098E-02 Hb(Abramov) 0.1453106E-02 Ex_ueg -0.8054125E-03 Ec_ueg -0.1902418E-03 Delta_ex -0.1365786E-02 Delta_ec 0.9703126E-03 Delta_et -0.5484564E-02 Pxc 0.4233624E+01 Qxc -0.1407573E+01 3,-1 77 3 +1 -2.920725 -0.191751 -0.229223 Rho 0.4987529E-02 |GRAD(Rho)| 0.1682420E-16 GRAD(Rho)x -0.2983144E-19 GRAD(Rho)y 0.9065622E-17 GRAD(Rho)z -0.1417277E-16 Laplacian 0.2056602E-01 (-1/4)Del**2(Rho)) -0.5141504E-02 Diamond 0.3891908E-03 Metallicity 0.4878339E+00 Ellipticity -0.1596463E+01 Gb(Abramov) 0.3845703E-02 Vb(Abramov) -0.2549902E-02 Hb(Abramov) 0.1295801E-02 Ex_ueg -0.6293597E-03 Ec_ueg -0.1463762E-03 Delta_ex -0.9392953E-03 Delta_ec 0.4998939E-03 Delta_et -0.2772545E-02 Pxc 0.4299606E+01 Qxc -0.1878990E+01 3,+1 78 3 -1 -0.618022 -2.775076 1.853159 Rho 0.1541359E+00 |GRAD(Rho)| 0.3958494E-13 GRAD(Rho)x -0.4039656E-14 GRAD(Rho)y 0.2042739E-13 GRAD(Rho)z -0.3366556E-13 Laplacian 0.6510605E+00 (-1/4)Del**2(Rho)) -0.1627651E+00 Diamond 0.1361830E+01 Metallicity 0.4689914E+01 Ellipticity 0.2196010E-01 Gb(Abramov) 0.2357358E+00 Vb(Abramov) -0.3087066E+00 Hb(Abramov) -0.7297071E-01 Ex_ueg -0.6103658E-01 Ec_ueg -0.8708796E-02 Delta_ex -0.7037461E-01 Delta_ec 0.1638394E-01 Delta_et -0.2188596E+00 Pxc 0.7008613E+01 Qxc -0.4295340E+01 3,-1 79 3 +3 -0.104981 -2.400281 -0.071235 Rho 0.4027268E-02 |GRAD(Rho)| 0.3466647E-17 GRAD(Rho)x 0.8334804E-18 GRAD(Rho)y 0.3361027E-17 GRAD(Rho)z -0.1626303E-18 Laplacian 0.1660509E-01 (-1/4)Del**2(Rho)) -0.4151272E-02 Diamond 0.1226870E-03 Metallicity 0.4230480E+00 Ellipticity -0.2099591E+00 Gb(Abramov) 0.3060212E-02 Vb(Abramov) -0.1969153E-02 Hb(Abramov) 0.1091059E-02 Ex_ueg -0.4732230E-03 Ec_ueg -0.1052954E-03 Delta_ex -0.5856106E-03 Delta_ec 0.1537064E-03 Delta_et -0.9341027E-03 Pxc 0.4494242E+01 Qxc -0.3809931E+01 3,+3 80 3 +3 -1.133677 -1.113527 1.164398 Rho 0.5234727E-02 |GRAD(Rho)| 0.6280574E-17 GRAD(Rho)x 0.4819710E-17 GRAD(Rho)y -0.4016736E-17 GRAD(Rho)z 0.2860589E-18 Laplacian 0.2170898E-01 (-1/4)Del**2(Rho)) -0.5427245E-02 Diamond 0.1689398E-03 Metallicity 0.5009532E+00 Ellipticity -0.1468840E+00 Gb(Abramov) 0.4071296E-02 Vb(Abramov) -0.2715347E-02 Hb(Abramov) 0.1355949E-02 Ex_ueg -0.6712904E-03 Ec_ueg -0.1570280E-03 Delta_ex -0.7662107E-03 Delta_ec 0.1073274E-03 Delta_et -0.8227068E-03 Pxc 0.4274973E+01 Qxc -0.7139001E+01 3,+3 81 3 -1 -0.076064 -3.204126 3.216825 Rho 0.2453570E+00 |GRAD(Rho)| 0.1000685E-14 GRAD(Rho)x -0.1622780E-15 GRAD(Rho)y -0.4762900E-15 GRAD(Rho)z 0.8649765E-15 Laplacian 0.8933730E+00 (-1/4)Del**2(Rho)) -0.2233432E+00 Diamond 0.3237781E+01 Metallicity 0.7417277E+01 Ellipticity 0.1586102E-02 Gb(Abramov) 0.4249953E+00 Vb(Abramov) -0.6266473E+00 Hb(Abramov) -0.2016520E+00 Ex_ueg -0.1134444E+00 Ec_ueg -0.1481021E-01 Delta_ex -0.1085268E+00 Delta_ec 0.1954215E-01 Delta_et -0.2705888E+00 Pxc 0.7659875E+01 Qxc -0.5553472E+01 3,-1 82 3 +1 1.208622 -1.128649 2.112007 Rho 0.2396731E-01 |GRAD(Rho)| 0.1223405E-15 GRAD(Rho)x 0.2128443E-16 GRAD(Rho)y -0.2520282E-16 GRAD(Rho)z 0.1178092E-15 Laplacian 0.9283286E-01 (-1/4)Del**2(Rho)) -0.2320822E-01 Diamond 0.1174410E-01 Metallicity 0.1478916E+01 Ellipticity -0.4122058E+01 Gb(Abramov) 0.2119264E-01 Vb(Abramov) -0.1917707E-01 Hb(Abramov) 0.2015571E-02 Ex_ueg -0.5103609E-02 Ec_ueg -0.1036862E-02 Delta_ex -0.5742131E-02 Delta_ec 0.1634275E-02 Delta_et -0.1426208E-01 Pxc 0.4922171E+01 Qxc -0.3513565E+01 3,+1 83 3 +1 1.666972 0.500606 0.560626 Rho 0.7603114E-02 |GRAD(Rho)| 0.1022432E-16 GRAD(Rho)x 0.6138390E-17 GRAD(Rho)y -0.8023789E-17 GRAD(Rho)z 0.1573458E-17 Laplacian 0.3115912E-01 (-1/4)Del**2(Rho)) -0.7789781E-02 Diamond 0.7482789E-03 Metallicity 0.6501502E+00 Ellipticity -0.1407525E+01 Gb(Abramov) 0.6037275E-02 Vb(Abramov) -0.4284770E-02 Hb(Abramov) 0.1752506E-02 Ex_ueg -0.1104181E-02 Ec_ueg -0.2605999E-03 Delta_ex -0.1402947E-02 Delta_ec 0.4794255E-03 Delta_et -0.3139824E-02 Pxc 0.4237075E+01 Qxc -0.2926309E+01 3,+1 84 3 -1 -0.585053 -1.805077 2.813554 Rho 0.1359640E+00 |GRAD(Rho)| 0.2503884E-12 GRAD(Rho)x -0.1605531E-12 GRAD(Rho)y 0.1815744E-12 GRAD(Rho)z 0.6283163E-13 Laplacian 0.5667914E+00 (-1/4)Del**2(Rho)) -0.1416979E+00 Diamond 0.1026129E+01 Metallicity 0.4370821E+01 Ellipticity 0.1015758E-01 Gb(Abramov) 0.1976879E+00 Vb(Abramov) -0.2536779E+00 Hb(Abramov) -0.5599003E-01 Ex_ueg -0.5163571E-01 Ec_ueg -0.7551154E-02 Delta_ex -0.5948625E-01 Delta_ec 0.1484031E-01 Delta_et -0.1949325E+00 Pxc 0.6838122E+01 Qxc -0.4008425E+01 3,-1 85 3 -1 0.817928 -2.987514 1.995684 Rho 0.1507636E+00 |GRAD(Rho)| 0.3638592E-14 GRAD(Rho)x -0.2573625E-14 GRAD(Rho)y 0.1135051E-14 GRAD(Rho)z 0.2308131E-14 Laplacian 0.5995710E+00 (-1/4)Del**2(Rho)) -0.1498928E+00 Diamond 0.1222122E+01 Metallicity 0.4908323E+01 Ellipticity 0.4877302E-01 Gb(Abramov) 0.2225489E+00 Vb(Abramov) -0.2952050E+00 Hb(Abramov) -0.7265610E-01 Ex_ueg -0.5926254E-01 Ec_ueg -0.8492411E-02 Delta_ex -0.6446535E-01 Delta_ec 0.1518729E-01 Delta_et -0.2023012E+00 Pxc 0.6978294E+01 Qxc -0.4244692E+01 3,-1 86 3 -1 0.089835 -1.969519 -1.015655 Rho 0.7946465E-02 |GRAD(Rho)| 0.5849066E-16 GRAD(Rho)x 0.2702882E-16 GRAD(Rho)y -0.4611247E-17 GRAD(Rho)z 0.5166562E-16 Laplacian 0.3119477E-01 (-1/4)Del**2(Rho)) -0.7798693E-02 Diamond 0.1573964E-02 Metallicity 0.6990174E+00 Ellipticity 0.5761732E+00 Gb(Abramov) 0.6107699E-02 Vb(Abramov) -0.4416705E-02 Hb(Abramov) 0.1690994E-02 Ex_ueg -0.1171162E-02 Ec_ueg -0.2758347E-03 Delta_ex -0.1809689E-02 Delta_ec 0.1175832E-02 Delta_et -0.7262206E-02 Pxc 0.4245884E+01 Qxc -0.1539070E+01 3,-1 87 3 +1 1.958759 -2.019529 2.017547 Rho 0.1256442E-01 |GRAD(Rho)| 0.3181694E-16 GRAD(Rho)x -0.1979652E-16 GRAD(Rho)y 0.1135452E-16 GRAD(Rho)z -0.2216958E-16 Laplacian 0.5912151E-01 (-1/4)Del**2(Rho)) -0.1478038E-01 Diamond 0.2122951E-02 Metallicity 0.7914770E+00 Ellipticity -0.1182649E+01 Gb(Abramov) 0.1180331E-01 Vb(Abramov) -0.8826235E-02 Hb(Abramov) 0.2977071E-02 Ex_ueg -0.2157288E-02 Ec_ueg -0.4856868E-03 Delta_ex -0.2832807E-02 Delta_ec 0.5731679E-03 Delta_et -0.4491788E-02 Pxc 0.4441728E+01 Qxc -0.4942369E+01 3,+1 88 3 -1 0.810728 -1.976621 2.996659 Rho 0.1418298E+00 |GRAD(Rho)| 0.2346649E-15 GRAD(Rho)x -0.1437652E-15 GRAD(Rho)y 0.1662082E-15 GRAD(Rho)z -0.8230450E-16 Laplacian 0.5675286E+00 (-1/4)Del**2(Rho)) -0.1418822E+00 Diamond 0.1077673E+01 Metallicity 0.4683510E+01 Ellipticity 0.3348800E-01 Gb(Abramov) 0.2053392E+00 Vb(Abramov) -0.2687962E+00 Hb(Abramov) -0.6345702E-01 Ex_ueg -0.5462715E-01 Ec_ueg -0.7922575E-02 Delta_ex -0.6014276E-01 Delta_ec 0.1464565E-01 Delta_et -0.1934958E+00 Pxc 0.6895126E+01 Qxc -0.4106527E+01 3,-1 89 3 -1 1.133832 -2.308578 -2.010814 Rho 0.4808038E-01 |GRAD(Rho)| 0.8721241E-16 GRAD(Rho)x -0.2638365E-16 GRAD(Rho)y -0.1389101E-17 GRAD(Rho)z 0.8311424E-16 Laplacian 0.1278219E+00 (-1/4)Del**2(Rho)) -0.3195547E-01 Diamond 0.9605389E-01 Metallicity 0.3427318E+01 Ellipticity 0.1474719E-01 Gb(Abramov) 0.3955724E-01 Vb(Abramov) -0.4715901E-01 Hb(Abramov) -0.7601769E-02 Ex_ueg -0.1291246E-01 Ec_ueg -0.2309042E-02 Delta_ex -0.1199017E-01 Delta_ec 0.6616170E-02 Delta_et -0.6976094E-01 Pxc 0.5592127E+01 Qxc -0.1812253E+01 3,-1 90 3 +1 1.854594 -1.792964 -1.749024 Rho 0.1442143E-01 |GRAD(Rho)| 0.7610600E-17 GRAD(Rho)x 0.1829909E-17 GRAD(Rho)y -0.5972112E-18 GRAD(Rho)z -0.7363152E-17 Laplacian 0.6856026E-01 (-1/4)Del**2(Rho)) -0.1714006E-01 Diamond 0.3539390E-02 Metallicity 0.8587918E+00 Ellipticity -0.1384078E+01 Gb(Abramov) 0.1388000E-01 Vb(Abramov) -0.1061994E-01 Hb(Abramov) 0.3260064E-02 Ex_ueg -0.2592564E-02 Ec_ueg -0.5724735E-03 Delta_ex -0.3539420E-02 Delta_ec 0.8912503E-03 Delta_et -0.6986330E-02 Pxc 0.4528705E+01 Qxc -0.3971297E+01 3,+1 91 3 +1 1.216569 -2.152386 1.080390 Rho 0.2577993E-01 |GRAD(Rho)| 0.3362565E-16 GRAD(Rho)x -0.1691715E-16 GRAD(Rho)y 0.2896609E-16 GRAD(Rho)z 0.2336691E-17 Laplacian 0.1027407E+00 (-1/4)Del**2(Rho)) -0.2568517E-01 Diamond 0.1471594E-01 Metallicity 0.1508946E+01 Ellipticity -0.4898966E+01 Gb(Abramov) 0.2358304E-01 Vb(Abramov) -0.2148090E-01 Hb(Abramov) 0.2102135E-02 Ex_ueg -0.5624632E-02 Ec_ueg -0.1128062E-02 Delta_ex -0.6515384E-02 Delta_ec 0.1873356E-02 Delta_et -0.1663361E-01 Pxc 0.4986101E+01 Qxc -0.3477922E+01 3,+1 92 3 +3 1.080894 1.100711 1.077378 Rho 0.4533440E-02 |GRAD(Rho)| 0.8144386E-15 GRAD(Rho)x 0.8137510E-15 GRAD(Rho)y -0.1169329E-16 GRAD(Rho)z -0.3135022E-16 Laplacian 0.1856439E-01 (-1/4)Del**2(Rho)) -0.4641097E-02 Diamond 0.1266035E-03 Metallicity 0.4609413E+00 Ellipticity -0.2394711E+00 Gb(Abramov) 0.3450610E-02 Vb(Abramov) -0.2260123E-02 Hb(Abramov) 0.1190487E-02 Ex_ueg -0.5541435E-03 Ec_ueg -0.1268904E-03 Delta_ex -0.6382308E-03 Delta_ec 0.1067657E-03 Delta_et -0.7580386E-03 Pxc 0.4367103E+01 Qxc -0.5977862E+01 3,+3 93 3 +1 0.295300 -1.522199 -1.658760 Rho 0.5738033E-02 |GRAD(Rho)| 0.1723600E-16 GRAD(Rho)x 0.1532410E-16 GRAD(Rho)y -0.2854713E-17 GRAD(Rho)z -0.7355422E-17 Laplacian 0.2306661E-01 (-1/4)Del**2(Rho)) -0.5766652E-02 Diamond 0.5766022E-03 Metallicity 0.5494158E+00 Ellipticity -0.2181445E+01 Gb(Abramov) 0.4372483E-02 Vb(Abramov) -0.2978314E-02 Hb(Abramov) 0.1394169E-02 Ex_ueg -0.7586983E-03 Ec_ueg -0.1788103E-03 Delta_ex -0.1123381E-02 Delta_ec 0.6287514E-03 Delta_et -0.3597345E-02 Pxc 0.4243034E+01 Qxc -0.1786686E+01 3,+1 94 3 +3 1.783494 -1.847028 1.833187 Rho 0.1219761E-01 |GRAD(Rho)| 0.2411901E-14 GRAD(Rho)x -0.1458707E-14 GRAD(Rho)y 0.1329574E-14 GRAD(Rho)z -0.1386245E-14 Laplacian 0.5571277E-01 (-1/4)Del**2(Rho)) -0.1392819E-01 Diamond 0.1219959E-02 Metallicity 0.7994344E+00 Ellipticity -0.6123137E+00 Gb(Abramov) 0.1114124E-01 Vb(Abramov) -0.8354289E-02 Hb(Abramov) 0.2786952E-02 Ex_ueg -0.2073725E-02 Ec_ueg -0.4686989E-03 Delta_ex -0.2449784E-02 Delta_ec 0.1865005E-03 Delta_et -0.1812816E-02 Pxc 0.4424430E+01 Qxc -0.1313554E+02 3,+3 95 3 -1 1.746874 -2.843786 -0.633801 Rho 0.2036264E+00 |GRAD(Rho)| 0.2399636E-15 GRAD(Rho)x 0.1719545E-15 GRAD(Rho)y 0.3049319E-17 GRAD(Rho)z 0.1673466E-15 Laplacian 0.7956775E+00 (-1/4)Del**2(Rho)) -0.1989194E+00 Diamond 0.2293014E+01 Metallicity 0.6103790E+01 Ellipticity 0.3857519E-02 Gb(Abramov) 0.3349733E+00 Vb(Abramov) -0.4710271E+00 Hb(Abramov) -0.1360539E+00 Ex_ueg -0.8847703E-01 Ec_ueg -0.1196106E-01 Delta_ex -0.9202438E-01 Delta_ec 0.1822999E-01 Delta_et -0.2495563E+00 Pxc 0.7397087E+01 Qxc -0.5047965E+01 3,-1 96 3 -1 1.914389 -3.002826 0.811729 Rho 0.1298217E+00 |GRAD(Rho)| 0.4903537E-12 GRAD(Rho)x 0.2612811E-12 GRAD(Rho)y 0.1575248E-12 GRAD(Rho)z -0.3838813E-12 Laplacian 0.5106782E+00 (-1/4)Del**2(Rho)) -0.1276695E+00 Diamond 0.8799713E+00 Metallicity 0.4491359E+01 Ellipticity 0.2032042E-01 Gb(Abramov) 0.1806813E+00 Vb(Abramov) -0.2336931E+00 Hb(Abramov) -0.5301177E-01 Ex_ueg -0.4854911E-01 Ec_ueg -0.7164612E-02 Delta_ex -0.5306718E-01 Delta_ec 0.1363596E-01 Delta_et -0.1780029E+00 Pxc 0.6776236E+01 Qxc -0.3891708E+01 3,-1 97 3 -1 1.601661 -1.737709 0.431184 Rho 0.4003750E-01 |GRAD(Rho)| 0.4701088E-15 GRAD(Rho)x 0.3397398E-15 GRAD(Rho)y -0.2722103E-15 GRAD(Rho)z -0.1774278E-15 Laplacian 0.1556545E+00 (-1/4)Del**2(Rho)) -0.3891361E-01 Diamond 0.5772700E-01 Metallicity 0.2074419E+01 Ellipticity 0.1180014E-01 Gb(Abramov) 0.3939626E-01 Vb(Abramov) -0.3987892E-01 Hb(Abramov) -0.4826521E-03 Ex_ueg -0.1011597E-01 Ec_ueg -0.1872078E-02 Delta_ex -0.1208558E-01 Delta_ec 0.4582545E-02 Delta_et -0.4554686E-01 Pxc 0.5403607E+01 Qxc -0.2637307E+01 3,-1 98 3 +1 2.051417 -1.315916 1.061888 Rho 0.2460365E-01 |GRAD(Rho)| 0.1272170E-16 GRAD(Rho)x -0.1154043E-16 GRAD(Rho)y 0.3644851E-17 GRAD(Rho)z -0.3921126E-17 Laplacian 0.9746892E-01 (-1/4)Del**2(Rho)) -0.2436723E-01 Diamond 0.1318784E-01 Metallicity 0.1471452E+01 Ellipticity -0.4757552E+01 Gb(Abramov) 0.2222069E-01 Vb(Abramov) -0.2007415E-01 Hb(Abramov) 0.2146541E-02 Ex_ueg -0.5285073E-02 Ec_ueg -0.1068779E-02 Delta_ex -0.6115819E-02 Delta_ec 0.1796070E-02 Delta_et -0.1575777E-01 Pxc 0.4944963E+01 Qxc -0.3405112E+01 3,+1 99 3 -1 3.115160 -3.242226 -0.116772 Rho 0.2407197E+00 |GRAD(Rho)| 0.4040509E-15 GRAD(Rho)x -0.2592327E-15 GRAD(Rho)y 0.2820010E-15 GRAD(Rho)z 0.1285728E-15 Laplacian 0.8765576E+00 (-1/4)Del**2(Rho)) -0.2191394E+00 Diamond 0.3108652E+01 Metallicity 0.7322942E+01 Ellipticity 0.1113882E-01 Gb(Abramov) 0.4135504E+00 Vb(Abramov) -0.6079615E+00 Hb(Abramov) -0.1944110E+00 Ex_ueg -0.1105946E+00 Ec_ueg -0.1448888E-01 Delta_ex -0.1059747E+00 Delta_ec 0.1932137E-01 Delta_et -0.2675493E+00 Pxc 0.7633068E+01 Qxc -0.5484842E+01 3,-1 100 3 -1 2.811759 -0.580645 -1.806858 Rho 0.1400085E+00 |GRAD(Rho)| 0.4256356E-15 GRAD(Rho)x 0.4710181E-16 GRAD(Rho)y -0.1916056E-15 GRAD(Rho)z 0.3771397E-15 Laplacian 0.5792083E+00 (-1/4)Del**2(Rho)) -0.1448021E+00 Diamond 0.1083887E+01 Metallicity 0.4491266E+01 Ellipticity 0.1556709E-01 Gb(Abramov) 0.2049255E+00 Vb(Abramov) -0.2650489E+00 Hb(Abramov) -0.6012343E-01 Ex_ueg -0.5369379E-01 Ec_ueg -0.7807012E-02 Delta_ex -0.6119824E-01 Delta_ec 0.1501334E-01 Delta_et -0.1980084E+00 Pxc 0.6877637E+01 Qxc -0.4076258E+01 3,-1 101 3 +1 2.960317 -0.061783 0.079414 Rho 0.5046217E-02 |GRAD(Rho)| 0.3195694E-17 GRAD(Rho)x 0.2449157E-17 GRAD(Rho)y -0.1886406E-17 GRAD(Rho)z -0.8096670E-18 Laplacian 0.2061955E-01 (-1/4)Del**2(Rho)) -0.5154887E-02 Diamond 0.5330012E-03 Metallicity 0.4961472E+00 Ellipticity -0.7621025E+01 Gb(Abramov) 0.3862855E-02 Vb(Abramov) -0.2570823E-02 Hb(Abramov) 0.1292032E-02 Ex_ueg -0.6392533E-03 Ec_ueg -0.1489023E-03 Delta_ex -0.1069352E-02 Delta_ec 0.7248997E-03 Delta_et -0.3917170E-02 Pxc 0.4293107E+01 Qxc -0.1475173E+01 3,+1 102 3 -1 2.749714 -1.829876 -0.612223 Rho 0.1409844E+00 |GRAD(Rho)| 0.3259810E-12 GRAD(Rho)x 0.9926079E-13 GRAD(Rho)y 0.2425334E-12 GRAD(Rho)z -0.1938775E-12 Laplacian 0.5829913E+00 (-1/4)Del**2(Rho)) -0.1457478E+00 Diamond 0.1102470E+01 Metallicity 0.4514084E+01 Ellipticity 0.1180088E-01 Gb(Abramov) 0.2068182E+00 Vb(Abramov) -0.2678886E+00 Hb(Abramov) -0.6107037E-01 Ex_ueg -0.5419342E-01 Ec_ueg -0.7868908E-02 Delta_ex -0.6172776E-01 Delta_ec 0.1513150E-01 Delta_et -0.1998720E+00 Pxc 0.6887031E+01 Qxc -0.4079420E+01 3,-1 103 3 -1 2.886832 -2.003673 0.794611 Rho 0.1056340E+00 |GRAD(Rho)| 0.6051816E-16 GRAD(Rho)x 0.1867538E-16 GRAD(Rho)y 0.7684283E-17 GRAD(Rho)z 0.5704936E-16 Laplacian 0.4240920E+00 (-1/4)Del**2(Rho)) -0.1060230E+00 Diamond 0.5626547E+00 Metallicity 0.3835536E+01 Ellipticity 0.2768991E-02 Gb(Abramov) 0.1384578E+00 Vb(Abramov) -0.1708927E+00 Hb(Abramov) -0.3243483E-01 Ex_ueg -0.3687993E-01 Ec_ueg -0.5667586E-02 Delta_ex -0.4184845E-01 Delta_ec 0.1165884E-01 Delta_et -0.1463518E+00 Pxc 0.6507167E+01 Qxc -0.3589418E+01 3,-1 104 3 +1 0.511224 1.697696 0.556114 Rho 0.7621835E-02 |GRAD(Rho)| 0.4480777E-12 GRAD(Rho)x -0.3606862E-12 GRAD(Rho)y -0.2014617E-12 GRAD(Rho)z 0.1734710E-12 Laplacian 0.3129293E-01 (-1/4)Del**2(Rho)) -0.7823233E-02 Diamond 0.7603266E-03 Metallicity 0.6500292E+00 Ellipticity -0.1415698E+01 Gb(Abramov) 0.6063044E-02 Vb(Abramov) -0.4302854E-02 Hb(Abramov) 0.1760189E-02 Ex_ueg -0.1107808E-02 Ec_ueg -0.2614292E-03 Delta_ex -0.1413170E-02 Delta_ec 0.4874554E-03 Delta_et -0.3189904E-02 Pxc 0.4237507E+01 Qxc -0.2899075E+01 3,+1 105 3 +1 -0.221826 -0.394648 -3.025717 Rho 0.3294133E-02 |GRAD(Rho)| 0.5534300E-17 GRAD(Rho)x 0.2720113E-17 GRAD(Rho)y -0.4800946E-17 GRAD(Rho)z -0.4247076E-18 Laplacian 0.1295729E-01 (-1/4)Del**2(Rho)) -0.3239322E-02 Diamond 0.1538753E-03 Metallicity 0.3878535E+00 Ellipticity -0.1620336E+01 Gb(Abramov) 0.2368945E-02 Vb(Abramov) -0.1498568E-02 Hb(Abramov) 0.8703770E-03 Ex_ueg -0.3619984E-03 Ec_ueg -0.7425763E-04 Delta_ex -0.5656628E-03 Delta_ec 0.3539965E-03 Delta_et -0.1717538E-02 Pxc 0.4874898E+01 Qxc -0.1597934E+01 3,+1 106 3 -1 -3.232325 3.162913 -0.068859 Rho 0.2301834E+00 |GRAD(Rho)| 0.7115871E-12 GRAD(Rho)x 0.4750408E-12 GRAD(Rho)y -0.5188402E-12 GRAD(Rho)z 0.1072253E-12 Laplacian 0.8266578E+00 (-1/4)Del**2(Rho)) -0.2066645E+00 Diamond 0.2790511E+01 Metallicity 0.7206828E+01 Ellipticity 0.8952769E-02 Gb(Abramov) 0.3860088E+00 Vb(Abramov) -0.5653532E+00 Hb(Abramov) -0.1793444E+00 Ex_ueg -0.1041879E+00 Ec_ueg -0.1376316E-01 Delta_ex -0.9885333E-01 Delta_ec 0.1858897E-01 Delta_et -0.2574918E+00 Pxc 0.7570053E+01 Qxc -0.5317848E+01 3,-1 107 3 -1 -3.013424 -1.990435 -0.860062 Rho 0.1529746E+00 |GRAD(Rho)| 0.1286223E-14 GRAD(Rho)x 0.5532955E-15 GRAD(Rho)y -0.4732949E-15 GRAD(Rho)z 0.1060296E-14 Laplacian 0.6053666E+00 (-1/4)Del**2(Rho)) -0.1513417E+00 Diamond 0.1263335E+01 Metallicity 0.4980737E+01 Ellipticity 0.5818066E-01 Gb(Abramov) 0.2265266E+00 Vb(Abramov) -0.3017115E+00 Hb(Abramov) -0.7518494E-01 Ex_ueg -0.6042419E-01 Ec_ueg -0.8634203E-02 Delta_ex -0.6539631E-01 Delta_ec 0.1541076E-01 Delta_et -0.2060013E+00 Pxc 0.6998236E+01 Qxc -0.4243550E+01 3,-1 108 3 -1 -2.797286 -1.766741 0.587489 Rho 0.1383076E+00 |GRAD(Rho)| 0.1642600E-15 GRAD(Rho)x 0.5644628E-16 GRAD(Rho)y 0.1201974E-15 GRAD(Rho)z -0.9668373E-16 Laplacian 0.5810440E+00 (-1/4)Del**2(Rho)) -0.1452610E+00 Diamond 0.1069799E+01 Metallicity 0.4386797E+01 Ellipticity 0.1027443E-01 Gb(Abramov) 0.2030458E+00 Vb(Abramov) -0.2608305E+00 Hb(Abramov) -0.5778475E-01 Ex_ueg -0.5282585E-01 Ec_ueg -0.7699286E-02 Delta_ex -0.6119145E-01 Delta_ec 0.1507248E-01 Delta_et -0.1983503E+00 Pxc 0.6861135E+01 Qxc -0.4059813E+01 3,-1 109 3 -1 -2.967224 -0.954214 -2.071578 Rho 0.1255939E+00 |GRAD(Rho)| 0.2123653E-15 GRAD(Rho)x 0.3285133E-16 GRAD(Rho)y -0.2090816E-15 GRAD(Rho)z -0.1745565E-16 Laplacian 0.4808549E+00 (-1/4)Del**2(Rho)) -0.1202137E+00 Diamond 0.7946748E+00 Metallicity 0.4513844E+01 Ellipticity 0.3082183E-01 Gb(Abramov) 0.1705802E+00 Vb(Abramov) -0.2209466E+00 Hb(Abramov) -0.5036643E-01 Ex_ueg -0.4645256E-01 Ec_ueg -0.6900005E-02 Delta_ex -0.4955316E-01 Delta_ec 0.1290458E-01 Delta_et -0.1674573E+00 Pxc 0.6732251E+01 Qxc -0.3839967E+01 3,-1 110 3 -1 -2.000191 2.942933 0.836829 Rho 0.9750194E-01 |GRAD(Rho)| 0.1632995E-13 GRAD(Rho)x -0.6109381E-14 GRAD(Rho)y -0.1464461E-13 GRAD(Rho)z -0.3857205E-14 Laplacian 0.3864282E+00 (-1/4)Del**2(Rho)) -0.9660706E-01 Diamond 0.4633470E+00 Metallicity 0.3683266E+01 Ellipticity 0.9176403E-02 Gb(Abramov) 0.1237096E+00 Vb(Abramov) -0.1508122E+00 Hb(Abramov) -0.2710256E-01 Ex_ueg -0.3314383E-01 Ec_ueg -0.5173979E-02 Delta_ex -0.3738789E-01 Delta_ec 0.1074672E-01 Delta_et -0.1327180E+00 Pxc 0.6405870E+01 Qxc -0.3479005E+01 3,-1 111 3 +1 -0.343534 -1.112230 -2.569527 Rho 0.3664050E-02 |GRAD(Rho)| 0.3241159E-17 GRAD(Rho)x -0.2561507E-17 GRAD(Rho)y 0.1263773E-17 GRAD(Rho)z -0.1531886E-17 Laplacian 0.1472682E-01 (-1/4)Del**2(Rho)) -0.3681704E-02 Diamond 0.1506365E-03 Metallicity 0.4074804E+00 Ellipticity -0.1292126E+01 Gb(Abramov) 0.2704506E-02 Vb(Abramov) -0.1727309E-02 Hb(Abramov) 0.9771976E-03 Ex_ueg -0.4171897E-03 Ec_ueg -0.8988238E-04 Delta_ex -0.5843377E-03 Delta_ec 0.2740824E-03 Delta_et -0.1433843E-02 Pxc 0.4641508E+01 Qxc -0.2131979E+01 3,+1 112 3 -1 -1.799362 -0.557604 2.825855 Rho 0.1480140E+00 |GRAD(Rho)| 0.6658147E-15 GRAD(Rho)x -0.3445595E-15 GRAD(Rho)y 0.5360567E-15 GRAD(Rho)z -0.1929541E-15 Laplacian 0.6259995E+00 (-1/4)Del**2(Rho)) -0.1564999E+00 Diamond 0.1247719E+01 Metallicity 0.4559082E+01 Ellipticity 0.1543862E-01 Gb(Abramov) 0.2232492E+00 Vb(Abramov) -0.2899985E+00 Hb(Abramov) -0.6674933E-01 Ex_ueg -0.5782588E-01 Ec_ueg -0.8316506E-02 Delta_ex -0.6699942E-01 Delta_ec 0.1592254E-01 Delta_et -0.2115350E+00 Pxc 0.6953147E+01 Qxc -0.4207835E+01 3,-1 113 3 +1 -1.361920 2.114892 1.051270 Rho 0.2329200E-01 |GRAD(Rho)| 0.3662705E-15 GRAD(Rho)x -0.2852156E-15 GRAD(Rho)y 0.1332138E-15 GRAD(Rho)z -0.1872437E-15 Laplacian 0.9110854E-01 (-1/4)Del**2(Rho)) -0.2277713E-01 Diamond 0.1090138E-01 Metallicity 0.1436808E+01 Ellipticity -0.3373813E+01 Gb(Abramov) 0.2063915E-01 Vb(Abramov) -0.1850117E-01 Hb(Abramov) 0.2137983E-02 Ex_ueg -0.4912782E-02 Ec_ueg -0.1003110E-02 Delta_ex -0.5571486E-02 Delta_ec 0.1565467E-02 Delta_et -0.1357481E-01 Pxc 0.4897553E+01 Qxc -0.3558992E+01 3,+1 114 3 +1 -0.608056 0.510480 -1.671032 Rho 0.8783277E-02 |GRAD(Rho)| 0.1318580E-16 GRAD(Rho)x 0.9739310E-17 GRAD(Rho)y 0.5684683E-18 GRAD(Rho)z -0.8870619E-17 Laplacian 0.3717987E-01 (-1/4)Del**2(Rho)) -0.9294969E-02 Diamond 0.1127416E-02 Metallicity 0.6929994E+00 Ellipticity -0.1470872E+01 Gb(Abramov) 0.7270214E-02 Vb(Abramov) -0.5245459E-02 Hb(Abramov) 0.2024755E-02 Ex_ueg -0.1338424E-02 Ec_ueg -0.3131879E-03 Delta_ex -0.1752929E-02 Delta_ec 0.6040736E-03 Delta_et -0.4085962E-02 Pxc 0.4273551E+01 Qxc -0.2901847E+01 3,+1 115 3 +1 -1.760157 0.543193 -0.519510 Rho 0.8777160E-02 |GRAD(Rho)| 0.1194421E-16 GRAD(Rho)x -0.9360802E-17 GRAD(Rho)y 0.1405908E-17 GRAD(Rho)z -0.7284430E-17 Laplacian 0.3642565E-01 (-1/4)Del**2(Rho)) -0.9106413E-02 Diamond 0.1114665E-02 Metallicity 0.7065277E+00 Ellipticity -0.1507779E+01 Gb(Abramov) 0.7143264E-02 Vb(Abramov) -0.5180115E-02 Hb(Abramov) 0.1963149E-02 Ex_ueg -0.1337182E-02 Ec_ueg -0.3129137E-03 Delta_ex -0.1721970E-02 Delta_ec 0.6005611E-03 Delta_et -0.4055339E-02 Pxc 0.4273324E+01 Qxc -0.2867269E+01 3,+1 116 3 +3 -0.013351 2.321726 0.051427 Rho 0.4238757E-02 |GRAD(Rho)| 0.5516658E-17 GRAD(Rho)x 0.3916984E-17 GRAD(Rho)y 0.3443132E-18 GRAD(Rho)z 0.3869393E-17 Laplacian 0.1749216E-01 (-1/4)Del**2(Rho)) -0.4373040E-02 Diamond 0.1368288E-03 Metallicity 0.4373549E+00 Ellipticity -0.3825027E+00 Gb(Abramov) 0.3234122E-02 Vb(Abramov) -0.2095204E-02 Hb(Abramov) 0.1138918E-02 Ex_ueg -0.5066443E-03 Ec_ueg -0.1143020E-03 Delta_ex -0.6229722E-03 Delta_ec 0.1584118E-03 Delta_et -0.9796169E-03 Pxc 0.4432507E+01 Qxc -0.3932611E+01 3,+3 117 3 -1 -0.512063 1.703771 1.711235 Rho 0.3593056E-01 |GRAD(Rho)| 0.4120006E-14 GRAD(Rho)x 0.1302984E-14 GRAD(Rho)y 0.2823584E-14 GRAD(Rho)z 0.2702602E-14 Laplacian 0.1480611E+00 (-1/4)Del**2(Rho)) -0.3701529E-01 Diamond 0.4900775E-01 Metallicity 0.1820869E+01 Ellipticity 0.3452353E-01 Gb(Abramov) 0.3591019E-01 Vb(Abramov) -0.3480509E-01 Hb(Abramov) 0.1105099E-02 Ex_ueg -0.8756630E-02 Ec_ueg -0.1653378E-02 Delta_ex -0.1130025E-01 Delta_ec 0.4554721E-02 Delta_et -0.4397328E-01 Pxc 0.5296207E+01 Qxc -0.2480997E+01 3,-1 118 3 -1 -0.835109 2.001920 3.010167 Rho 0.1287627E+00 |GRAD(Rho)| 0.3789460E-13 GRAD(Rho)x -0.3272840E-14 GRAD(Rho)y 0.3525671E-13 GRAD(Rho)z -0.1350013E-13 Laplacian 0.5063219E+00 (-1/4)Del**2(Rho)) -0.1265805E+00 Diamond 0.8490494E+00 Metallicity 0.4468581E+01 Ellipticity 0.4007346E-01 Gb(Abramov) 0.1786595E+00 Vb(Abramov) -0.2307385E+00 Hb(Abramov) -0.5207903E-01 Ex_ueg -0.4802179E-01 Ec_ueg -0.7098220E-02 Delta_ex -0.5232957E-01 Delta_ec 0.1322171E-01 Delta_et -0.1717742E+00 Pxc 0.6765328E+01 Qxc -0.3957852E+01 3,-1 119 3 +1 -0.580522 1.682983 -0.515367 Rho 0.8419642E-02 |GRAD(Rho)| 0.1115468E-16 GRAD(Rho)x -0.7273173E-17 GRAD(Rho)y 0.7541644E-17 GRAD(Rho)z 0.3827731E-17 Laplacian 0.3450400E-01 (-1/4)Del**2(Rho)) -0.8626001E-02 Diamond 0.9454386E-03 Metallicity 0.6959313E+00 Ellipticity -0.1439235E+01 Gb(Abramov) 0.6751185E-02 Vb(Abramov) -0.4876369E-02 Hb(Abramov) 0.1874816E-02 Ex_ueg -0.1265056E-02 Ec_ueg -0.2969177E-03 Delta_ex -0.1590263E-02 Delta_ec 0.5255420E-03 Delta_et -0.3539802E-02 Pxc 0.4260631E+01 Qxc -0.3025948E+01 3,+1 120 3 +1 -0.145961 2.980755 0.185449 Rho 0.5117167E-02 |GRAD(Rho)| 0.2875383E-17 GRAD(Rho)x 0.7173756E-18 GRAD(Rho)y -0.6764749E-18 GRAD(Rho)z 0.2701033E-17 Laplacian 0.2116149E-01 (-1/4)Del**2(Rho)) -0.5290371E-02 Diamond 0.4962042E-03 Metallicity 0.4948228E+00 Ellipticity -0.2502819E+01 Gb(Abramov) 0.3963214E-02 Vb(Abramov) -0.2636056E-02 Hb(Abramov) 0.1327158E-02 Ex_ueg -0.6512652E-03 Ec_ueg -0.1519585E-03 Delta_ex -0.1045241E-02 Delta_ec 0.6456356E-03 Delta_et -0.3539170E-02 Pxc 0.4285811E+01 Qxc -0.1618934E+01 3,+1 121 3 -1 -0.833441 2.991738 2.007471 Rho 0.1590227E+00 |GRAD(Rho)| 0.4083418E-15 GRAD(Rho)x -0.3997182E-15 GRAD(Rho)y -0.7277707E-16 GRAD(Rho)z -0.4088797E-16 Laplacian 0.6221343E+00 (-1/4)Del**2(Rho)) -0.1555336E+00 Diamond 0.1337608E+01 Metallicity 0.5170041E+01 Ellipticity 0.6328319E-01 Gb(Abramov) 0.2377082E+00 Vb(Abramov) -0.3198829E+00 Hb(Abramov) -0.8217464E-01 Ex_ueg -0.6363026E-01 Ec_ueg -0.9023573E-02 Delta_ex -0.6764524E-01 Delta_ec 0.1531262E-01 Delta_et -0.2048333E+00 Pxc 0.7051559E+01 Qxc -0.4417613E+01 3,-1 122 3 +3 -2.422539 0.032081 0.003024 Rho 0.4661695E-02 |GRAD(Rho)| 0.9250816E-17 GRAD(Rho)x 0.4111981E-17 GRAD(Rho)y -0.6247272E-17 GRAD(Rho)z 0.5444336E-17 Laplacian 0.1945262E-01 (-1/4)Del**2(Rho)) -0.4863156E-02 Diamond 0.1974513E-03 Metallicity 0.4608306E+00 Ellipticity -0.4786186E+00 Gb(Abramov) 0.3615619E-02 Vb(Abramov) -0.2368082E-02 Hb(Abramov) 0.1247537E-02 Ex_ueg -0.5751443E-03 Ec_ueg -0.1323833E-03 Delta_ex -0.7346313E-03 Delta_ec 0.2204394E-03 Delta_et -0.1331886E-02 Pxc 0.4344538E+01 Qxc -0.3332577E+01 3,+3 123 3 -1 -0.584805 2.778078 -1.770739 Rho 0.1419226E+00 |GRAD(Rho)| 0.2099148E-15 GRAD(Rho)x -0.1245206E-15 GRAD(Rho)y 0.5793028E-16 GRAD(Rho)z 0.1587543E-15 Laplacian 0.5848481E+00 (-1/4)Del**2(Rho)) -0.1462120E+00 Diamond 0.1092928E+01 Metallicity 0.4549771E+01 Ellipticity 0.2085808E-01 Gb(Abramov) 0.2083466E+00 Vb(Abramov) -0.2704811E+00 Hb(Abramov) -0.6213453E-01 Ex_ueg -0.5467481E-01 Ec_ueg -0.7928469E-02 Delta_ex -0.6178958E-01 Delta_ec 0.1473585E-01 Delta_et -0.1939554E+00 Pxc 0.6896012E+01 Qxc -0.4193146E+01 3,-1 124 3 -1 0.818267 1.939453 -2.941042 Rho 0.1184921E+00 |GRAD(Rho)| 0.1516619E-15 GRAD(Rho)x 0.1165653E-15 GRAD(Rho)y -0.7532495E-16 GRAD(Rho)z 0.6115578E-16 Laplacian 0.4669010E+00 (-1/4)Del**2(Rho)) -0.1167252E+00 Diamond 0.7063676E+00 Metallicity 0.4218948E+01 Ellipticity 0.3650805E-01 Gb(Abramov) 0.1598931E+00 Vb(Abramov) -0.2030610E+00 Hb(Abramov) -0.4316788E-01 Ex_ueg -0.4298376E-01 Ec_ueg -0.6458259E-02 Delta_ex -0.4727374E-01 Delta_ec 0.1238246E-01 Delta_et -0.1585517E+00 Pxc 0.6655626E+01 Qxc -0.3817799E+01 3,-1 125 3 -1 0.442424 -1.718381 1.682432 Rho 0.4231880E-01 |GRAD(Rho)| 0.1365451E-13 GRAD(Rho)x 0.9516866E-14 GRAD(Rho)y -0.1080812E-14 GRAD(Rho)z -0.9731745E-14 Laplacian 0.1667631E+00 (-1/4)Del**2(Rho)) -0.4169078E-01 Diamond 0.6660776E-01 Metallicity 0.2123580E+01 Ellipticity 0.1424764E-01 Gb(Abramov) 0.4254948E-01 Vb(Abramov) -0.4340817E-01 Hb(Abramov) -0.8586918E-03 Ex_ueg -0.1089171E-01 Ec_ueg -0.1994906E-02 Delta_ex -0.1312364E-01 Delta_ec 0.4900076E-02 Delta_et -0.4942951E-01 Pxc 0.5459763E+01 Qxc -0.2678253E+01 3,-1 126 3 +1 0.512627 0.493674 1.680049 Rho 0.8392387E-02 |GRAD(Rho)| 0.1307172E-16 GRAD(Rho)x -0.9764235E-17 GRAD(Rho)y 0.8528896E-17 GRAD(Rho)z -0.1669610E-17 Laplacian 0.3516463E-01 (-1/4)Del**2(Rho)) -0.8791157E-02 Diamond 0.9746881E-03 Metallicity 0.6791770E+00 Ellipticity -0.1432012E+01 Gb(Abramov) 0.6855896E-02 Vb(Abramov) -0.4920636E-02 Hb(Abramov) 0.1935260E-02 Ex_ueg -0.1259599E-02 Ec_ueg -0.2957005E-03 Delta_ex -0.1626566E-02 Delta_ec 0.5483954E-03 Delta_et -0.3680916E-02 Pxc 0.4259712E+01 Qxc -0.2966047E+01 3,+1 127 3 +1 0.368627 -1.765420 -0.674391 Rho 0.7291948E-02 |GRAD(Rho)| 0.1797823E-16 GRAD(Rho)x 0.2618179E-17 GRAD(Rho)y -0.1769960E-16 GRAD(Rho)z -0.1756746E-17 Laplacian 0.2994472E-01 (-1/4)Del**2(Rho)) -0.7486180E-02 Diamond 0.8624312E-03 Metallicity 0.6310040E+00 Ellipticity -0.1745225E+01 Gb(Abramov) 0.5778088E-02 Vb(Abramov) -0.4069997E-02 Hb(Abramov) 0.1708092E-02 Ex_ueg -0.1044343E-02 Ec_ueg -0.2468400E-03 Delta_ex -0.1437246E-02 Delta_ec 0.6441876E-03 Delta_et -0.4029908E-02 Pxc 0.4230850E+01 Qxc -0.2231099E+01 3,+1 128 3 -1 1.138886 -1.790464 -2.580223 Rho 0.3057380E+00 |GRAD(Rho)| 0.5503058E-15 GRAD(Rho)x -0.9467499E-16 GRAD(Rho)y 0.8307106E-16 GRAD(Rho)z -0.5356979E-15 Laplacian -0.1525287E+01 (-1/4)Del**2(Rho)) 0.3813218E+00 Diamond 0.5170813E+01 Metallicity -0.6268698E+01 Ellipticity 0.3182667E-02 Gb(Abramov) 0.1441840E+00 Vb(Abramov) -0.6696897E+00 Hb(Abramov) -0.5255057E+00 Ex_ueg -0.1521193E+00 Ec_ueg -0.1910188E-01 Delta_ex 0.1487141E+00 Delta_ec 0.5407722E-01 Delta_et -0.1256790E+01 Pxc 0.7963575E+01 Qxc 0.2750032E+01 3,-1 129 3 +3 0.944707 -1.141985 -1.226709 Rho 0.4246515E-02 |GRAD(Rho)| 0.3282308E-16 GRAD(Rho)x -0.1176860E-16 GRAD(Rho)y -0.2734461E-16 GRAD(Rho)z -0.1382487E-16 Laplacian 0.1750215E-01 (-1/4)Del**2(Rho)) -0.4375537E-02 Diamond 0.1355115E-03 Metallicity 0.4384394E+00 Ellipticity -0.4851987E+00 Gb(Abramov) 0.3236759E-02 Vb(Abramov) -0.2097982E-02 Hb(Abramov) 0.1138778E-02 Ex_ueg -0.5078810E-03 Ec_ueg -0.1146328E-03 Delta_ex -0.6216143E-03 Delta_ec 0.1549252E-03 Delta_et -0.9635794E-03 Pxc 0.4430504E+01 Qxc -0.4012352E+01 3,+3 130 3 +1 0.439573 -0.778059 -1.764050 Rho 0.5616633E-02 |GRAD(Rho)| 0.1609023E-14 GRAD(Rho)x 0.3039835E-15 GRAD(Rho)y 0.1280805E-14 GRAD(Rho)z 0.9252502E-15 Laplacian 0.2323292E-01 (-1/4)Del**2(Rho)) -0.5808230E-02 Diamond 0.5177231E-03 Metallicity 0.5263841E+00 Ellipticity -0.1742794E+01 Gb(Abramov) 0.4381713E-02 Vb(Abramov) -0.2955197E-02 Hb(Abramov) 0.1426517E-02 Ex_ueg -0.7373717E-03 Ec_ueg -0.1735448E-03 Delta_ex -0.1089488E-02 Delta_ec 0.5671990E-03 Delta_et -0.3255207E-02 Pxc 0.4248884E+01 Qxc -0.1920821E+01 3,+1 131 3 +1 2.009373 1.982355 -2.009581 Rho 0.1240803E-01 |GRAD(Rho)| 0.1512413E-16 GRAD(Rho)x 0.7520300E-17 GRAD(Rho)y -0.1287116E-16 GRAD(Rho)z 0.2552916E-17 Laplacian 0.5891022E-01 (-1/4)Del**2(Rho)) -0.1472755E-01 Diamond 0.2121740E-02 Metallicity 0.7779061E+00 Ellipticity -0.1185128E+01 Gb(Abramov) 0.1172781E-01 Vb(Abramov) -0.8728070E-02 Hb(Abramov) 0.2999743E-02 Ex_ueg -0.2121561E-02 Ec_ueg -0.4784376E-03 Delta_ex -0.2824763E-02 Delta_ec 0.5921472E-03 Delta_et -0.4606678E-02 Pxc 0.4434351E+01 Qxc -0.4770374E+01 3,+1 132 3 -1 1.663849 1.664718 -0.475271 Rho 0.3483949E-01 |GRAD(Rho)| 0.1014121E-13 GRAD(Rho)x -0.7247121E-14 GRAD(Rho)y -0.7093889E-14 GRAD(Rho)z 0.1393163E-16 Laplacian 0.1329066E+00 (-1/4)Del**2(Rho)) -0.3322666E-01 Diamond 0.4007608E-01 Metallicity 0.1926872E+01 Ellipticity 0.1319437E-01 Gb(Abramov) 0.3282170E-01 Vb(Abramov) -0.3241673E-01 Hb(Abramov) 0.4049670E-03 Ex_ueg -0.8403899E-02 Ec_ueg -0.1595830E-02 Delta_ex -0.9920469E-02 Delta_ec 0.3826399E-02 Delta_et -0.3662207E-01 Pxc 0.5266161E+01 Qxc -0.2592638E+01 3,-1 133 3 +1 1.189703 2.077631 -1.145753 Rho 0.2386243E-01 |GRAD(Rho)| 0.1770117E-16 GRAD(Rho)x 0.1125429E-16 GRAD(Rho)y 0.2566315E-17 GRAD(Rho)z 0.1341962E-16 Laplacian 0.9513247E-01 (-1/4)Del**2(Rho)) -0.2378312E-01 Diamond 0.1301033E-01 Metallicity 0.1432657E+01 Ellipticity -0.7469318E+01 Gb(Abramov) 0.2153425E-01 Vb(Abramov) -0.1928539E-01 Hb(Abramov) 0.2248865E-02 Ex_ueg -0.5073854E-02 Ec_ueg -0.1031611E-02 Delta_ex -0.5998614E-02 Delta_ec 0.1890921E-02 Delta_et -0.1642875E-01 Pxc 0.4918377E+01 Qxc -0.3172325E+01 3,+1 134 3 +1 1.759374 1.779187 1.753642 Rho 0.1230046E-01 |GRAD(Rho)| 0.1606260E-16 GRAD(Rho)x 0.1118804E-16 GRAD(Rho)y -0.1000946E-16 GRAD(Rho)z 0.5713648E-17 Laplacian 0.6165946E-01 (-1/4)Del**2(Rho)) -0.1541486E-01 Diamond 0.2539057E-02 Metallicity 0.7325140E+00 Ellipticity -0.1255858E+01 Gb(Abramov) 0.1215851E-01 Vb(Abramov) -0.8902156E-02 Hb(Abramov) 0.3256354E-02 Ex_ueg -0.2097074E-02 Ec_ueg -0.4734572E-03 Delta_ex -0.3045965E-02 Delta_ec 0.7919046E-03 Delta_et -0.5980342E-02 Pxc 0.4429279E+01 Qxc -0.3846379E+01 3,+1 135 3 -1 1.818099 2.795963 0.590983 Rho 0.1514781E+00 |GRAD(Rho)| 0.1775934E-14 GRAD(Rho)x 0.1264776E-14 GRAD(Rho)y -0.2490954E-15 GRAD(Rho)z -0.1221571E-14 Laplacian 0.6382542E+00 (-1/4)Del**2(Rho)) -0.1595636E+00 Diamond 0.1307461E+01 Metallicity 0.4647319E+01 Ellipticity 0.1614917E-01 Gb(Abramov) 0.2299661E+00 Vb(Abramov) -0.3003687E+00 Hb(Abramov) -0.7040260E-01 Ex_ueg -0.5963732E-01 Ec_ueg -0.8538199E-02 Delta_ex -0.6869538E-01 Delta_ec 0.1613199E-01 Delta_et -0.2149873E+00 Pxc 0.6984765E+01 Qxc -0.4258333E+01 3,-1 136 3 -1 1.984936 2.952369 -0.830040 Rho 0.1440199E+00 |GRAD(Rho)| 0.4758152E-15 GRAD(Rho)x 0.1673602E-15 GRAD(Rho)y 0.1279630E-15 GRAD(Rho)z -0.4266336E-15 Laplacian 0.5714652E+00 (-1/4)Del**2(Rho)) -0.1428663E+00 Diamond 0.1108006E+01 Metallicity 0.4771563E+01 Ellipticity 0.3244467E-01 Gb(Abramov) 0.2088601E+00 Vb(Abramov) -0.2748539E+00 Hb(Abramov) -0.6599383E-01 Ex_ueg -0.5575471E-01 Ec_ueg -0.8061804E-02 Delta_ex -0.6081522E-01 Delta_ec 0.1474274E-01 Delta_et -0.1953305E+00 Pxc 0.6915910E+01 Qxc -0.4125097E+01 3,-1 137 3 +3 1.805423 1.783006 -1.806153 Rho 0.1187956E-01 |GRAD(Rho)| 0.2027009E-16 GRAD(Rho)x -0.4949791E-17 GRAD(Rho)y 0.1567396E-16 GRAD(Rho)z 0.1186184E-16 Laplacian 0.5414157E-01 (-1/4)Del**2(Rho)) -0.1353539E-01 Diamond 0.1099413E-02 Metallicity 0.7871961E+00 Ellipticity -0.5714256E+00 Gb(Abramov) 0.1079943E-01 Vb(Abramov) -0.8063468E-02 Hb(Abramov) 0.2735963E-02 Ex_ueg -0.2001946E-02 Ec_ueg -0.4540120E-03 Delta_ex -0.2349551E-02 Delta_ec 0.1587827E-03 Delta_et -0.1607933E-02 Pxc 0.4409455E+01 Qxc -0.1479727E+02 3,+3 138 3 +1 2.088482 1.148940 -1.168960 Rho 0.2309704E-01 |GRAD(Rho)| 0.5254957E-16 GRAD(Rho)x -0.5228350E-16 GRAD(Rho)y 0.1688702E-18 GRAD(Rho)z 0.5278660E-17 Laplacian 0.9157293E-01 (-1/4)Del**2(Rho)) -0.2289323E-01 Diamond 0.1186996E-01 Metallicity 0.1409635E+01 Ellipticity -0.6168246E+01 Gb(Abramov) 0.2064067E-01 Vb(Abramov) -0.1838811E-01 Hb(Abramov) 0.2252561E-02 Ex_ueg -0.4858030E-02 Ec_ueg -0.9933887E-03 Delta_ex -0.5712813E-02 Delta_ec 0.1797336E-02 Delta_et -0.1548981E-01 Pxc 0.4890362E+01 Qxc -0.3178489E+01 3,+1 139 3 +3 2.302550 -0.022975 0.033875 Rho 0.4142247E-02 |GRAD(Rho)| 0.5495209E-17 GRAD(Rho)x 0.1089934E-17 GRAD(Rho)y -0.4377776E-17 GRAD(Rho)z -0.3137586E-17 Laplacian 0.1717057E-01 (-1/4)Del**2(Rho)) -0.4292641E-02 Diamond 0.1290222E-03 Metallicity 0.4287676E+00 Ellipticity -0.2881015E+00 Gb(Abramov) 0.3168518E-02 Vb(Abramov) -0.2044396E-02 Hb(Abramov) 0.1124123E-02 Ex_ueg -0.4913222E-03 Ec_ueg -0.1101890E-03 Delta_ex -0.6065639E-03 Delta_ec 0.1530252E-03 Delta_et -0.9446110E-03 Pxc 0.4458903E+01 Qxc -0.3963816E+01 3,+3 140 3 -1 2.787893 1.806029 0.596416 Rho 0.1484163E+00 |GRAD(Rho)| 0.1504132E-12 GRAD(Rho)x -0.2247202E-13 GRAD(Rho)y 0.1125547E-12 GRAD(Rho)z -0.9721408E-13 Laplacian 0.6260643E+00 (-1/4)Del**2(Rho)) -0.1565161E+00 Diamond 0.1254330E+01 Metallicity 0.4579278E+01 Ellipticity 0.1098711E-01 Gb(Abramov) 0.2237992E+00 Vb(Abramov) -0.2910822E+00 Hb(Abramov) -0.6728308E-01 Ex_ueg -0.5803553E-01 Ec_ueg -0.8342214E-02 Delta_ex -0.6707533E-01 Delta_ec 0.1595691E-01 Delta_et -0.2121714E+00 Pxc 0.6956851E+01 Qxc -0.4203529E+01 3,-1 141 3 -1 2.976185 1.966602 -0.810412 Rho 0.1450624E+00 |GRAD(Rho)| 0.1912409E-12 GRAD(Rho)x -0.7475386E-13 GRAD(Rho)y 0.1062244E-12 GRAD(Rho)z 0.1403615E-12 Laplacian 0.5810819E+00 (-1/4)Del**2(Rho)) -0.1452705E+00 Diamond 0.1135604E+01 Metallicity 0.4749347E+01 Ellipticity 0.2674860E-01 Gb(Abramov) 0.2118370E+00 Vb(Abramov) -0.2784034E+00 Hb(Abramov) -0.6656649E-01 Ex_ueg -0.5629349E-01 Ec_ueg -0.8128189E-02 Delta_ex -0.6193881E-01 Delta_ec 0.1494854E-01 Delta_et -0.1982328E+00 Pxc 0.6925711E+01 Qxc -0.4143469E+01 3,-1 142 3 -1 -2.770552 -0.537724 1.837234 Rho 0.1421078E+00 |GRAD(Rho)| 0.2073122E-15 GRAD(Rho)x -0.9207587E-16 GRAD(Rho)y -0.4839607E-16 GRAD(Rho)z 0.1793270E-15 Laplacian 0.5939793E+00 (-1/4)Del**2(Rho)) -0.1484948E+00 Diamond 0.1130607E+01 Metallicity 0.4489572E+01 Ellipticity 0.9724003E-02 Gb(Abramov) 0.2101096E+00 Vb(Abramov) -0.2717243E+00 Hb(Abramov) -0.6161475E-01 Ex_ueg -0.5476993E-01 Ec_ueg -0.7940227E-02 Delta_ex -0.6297642E-01 Delta_ec 0.1532190E-01 Delta_et -0.2024915E+00 Pxc 0.6897778E+01 Qxc -0.4110223E+01 3,-1 143 3 -1 -3.207135 0.001969 -3.225882 Rho 0.2258041E+00 |GRAD(Rho)| 0.3279603E-15 GRAD(Rho)x 0.1251169E-15 GRAD(Rho)y -0.1032703E-16 GRAD(Rho)z -0.3029803E-15 Laplacian 0.8237972E+00 (-1/4)Del**2(Rho)) -0.2059493E+00 Diamond 0.2713717E+01 Metallicity 0.7003996E+01 Ellipticity 0.1897310E-01 Gb(Abramov) 0.3777109E+00 Vb(Abramov) -0.5494725E+00 Hb(Abramov) -0.1717616E+00 Ex_ueg -0.1015533E+00 Ec_ueg -0.1346331E-01 Delta_ex -0.9800077E-01 Delta_ec 0.1859045E-01 Delta_et -0.2571150E+00 Pxc 0.7542967E+01 Qxc -0.5271564E+01 3,-1 144 3 -1 -2.774838 0.487576 -1.872801 Rho 0.5937989E-01 |GRAD(Rho)| 0.1332515E-15 GRAD(Rho)x -0.3260399E-16 GRAD(Rho)y 0.8942466E-16 GRAD(Rho)z 0.9325325E-16 Laplacian 0.2492179E+00 (-1/4)Del**2(Rho)) -0.6230448E-01 Diamond 0.1650792E+00 Metallicity 0.2499000E+01 Ellipticity 0.7231795E-02 Gb(Abramov) 0.6748613E-01 Vb(Abramov) -0.7266778E-01 Hb(Abramov) -0.5181654E-02 Ex_ueg -0.1710951E-01 Ec_ueg -0.2939567E-02 Delta_ex -0.2161483E-01 Delta_ec 0.7751147E-02 Delta_et -0.8558229E-01 Pxc 0.5820419E+01 Qxc -0.2788598E+01 3,-1 145 3 -1 -1.958817 0.859936 3.029203 Rho 0.1456559E+00 |GRAD(Rho)| 0.2709553E-13 GRAD(Rho)x -0.1409138E-13 GRAD(Rho)y -0.2093907E-13 GRAD(Rho)z -0.9856780E-14 Laplacian 0.5768131E+00 (-1/4)Del**2(Rho)) -0.1442033E+00 Diamond 0.1131915E+01 Metallicity 0.4817165E+01 Ellipticity 0.4056350E-01 Gb(Abramov) 0.2119107E+00 Vb(Abramov) -0.2796181E+00 Hb(Abramov) -0.6770740E-01 Ex_ueg -0.5660079E-01 Ec_ueg -0.8166011E-02 Delta_ex -0.6153600E-01 Delta_ec 0.1480742E-01 Delta_et -0.1964422E+00 Pxc 0.6931265E+01 Qxc -0.4155755E+01 3,-1 146 3 -1 -3.175115 -0.041206 3.238292 Rho 0.2448272E+00 |GRAD(Rho)| 0.6751435E-14 GRAD(Rho)x 0.4250831E-14 GRAD(Rho)y 0.1129793E-14 GRAD(Rho)z -0.5122096E-14 Laplacian 0.8956478E+00 (-1/4)Del**2(Rho)) -0.2239119E+00 Diamond 0.3237128E+01 Metallicity 0.7371829E+01 Ellipticity 0.8674616E-03 Gb(Abramov) 0.4243814E+00 Vb(Abramov) -0.6248508E+00 Hb(Abramov) -0.2004694E+00 Ex_ueg -0.1131179E+00 Ec_ueg -0.1477344E-01 Delta_ex -0.1087392E+00 Delta_ec 0.1960036E-01 Delta_et -0.2713597E+00 Pxc 0.7656840E+01 Qxc -0.5547814E+01 3,-1 147 3 +1 -0.110876 0.109485 2.937542 Rho 0.5221014E-02 |GRAD(Rho)| 0.1069870E-16 GRAD(Rho)x -0.1019761E-16 GRAD(Rho)y -0.3182029E-17 GRAD(Rho)z 0.5878793E-18 Laplacian 0.2147417E-01 (-1/4)Del**2(Rho)) -0.5368542E-02 Diamond 0.5536443E-03 Metallicity 0.5042218E+00 Ellipticity -0.4684348E+01 Gb(Abramov) 0.4030184E-02 Vb(Abramov) -0.2691826E-02 Hb(Abramov) 0.1338358E-02 Ex_ueg -0.6689468E-03 Ec_ueg -0.1564363E-03 Delta_ex -0.1096705E-02 Delta_ec 0.7120111E-03 Delta_et -0.3902948E-02 Pxc 0.4276161E+01 Qxc -0.1540292E+01 3,+1 148 3 -1 -2.082317 -0.926495 -3.258210 Rho 0.2266940E+00 |GRAD(Rho)| 0.1801830E-15 GRAD(Rho)x -0.1241683E-15 GRAD(Rho)y -0.7101524E-17 GRAD(Rho)z -0.1303753E-15 Laplacian 0.8536376E+00 (-1/4)Del**2(Rho)) -0.2134094E+00 Diamond 0.2797461E+01 Metallicity 0.6803614E+01 Ellipticity 0.1594290E-01 Gb(Abramov) 0.3842655E+00 Vb(Abramov) -0.5551215E+00 Hb(Abramov) -0.1708561E+00 Ex_ueg -0.1020873E+00 Ec_ueg -0.1352416E-01 Delta_ex -0.1014940E+00 Delta_ec 0.1895602E-01 Delta_et -0.2610534E+00 Pxc 0.7548514E+01 Qxc -0.5354187E+01 3,-1 149 3 -1 -0.215061 -1.327657 -3.383382 Rho 0.5848952E-02 |GRAD(Rho)| 0.1624953E-16 GRAD(Rho)x 0.1571588E-16 GRAD(Rho)y 0.1320683E-17 GRAD(Rho)z 0.3913345E-17 Laplacian 0.2330569E-01 (-1/4)Del**2(Rho)) -0.5826422E-02 Diamond 0.1012992E-02 Metallicity 0.5614116E+00 Ellipticity 0.7646516E-01 Gb(Abramov) 0.4429451E-02 Vb(Abramov) -0.3032481E-02 Hb(Abramov) 0.1396970E-02 Ex_ueg -0.7783158E-03 Ec_ueg -0.1836276E-03 Delta_ex -0.1452315E-02 Delta_ec 0.1193723E-02 Delta_et -0.6612921E-02 Pxc 0.4238554E+01 Qxc -0.1216627E+01 3,-1 150 3 +3 -0.003046 -0.019843 2.340789 Rho 0.4484294E-02 |GRAD(Rho)| 0.5130482E-17 GRAD(Rho)x 0.4567362E-17 GRAD(Rho)y 0.1144331E-17 GRAD(Rho)z -0.2037538E-17 Laplacian 0.1861212E-01 (-1/4)Del**2(Rho)) -0.4653029E-02 Diamond 0.1607168E-03 Metallicity 0.4514825E+00 Ellipticity -0.2912316E+00 Gb(Abramov) 0.3452146E-02 Vb(Abramov) -0.2251264E-02 Hb(Abramov) 0.1200883E-02 Ex_ueg -0.5461483E-03 Ec_ueg -0.1247878E-03 Delta_ex -0.6762792E-03 Delta_ec 0.1753950E-03 Delta_et -0.1089662E-02 Pxc 0.4376614E+01 Qxc -0.3855749E+01 3,+3 151 3 -1 -0.601318 1.785939 -2.744962 Rho 0.1425935E+00 |GRAD(Rho)| 0.3309517E-15 GRAD(Rho)x 0.2723922E-15 GRAD(Rho)y 0.1690949E-15 GRAD(Rho)z 0.8208766E-16 Laplacian 0.6100234E+00 (-1/4)Del**2(Rho)) -0.1525058E+00 Diamond 0.1143815E+01 Metallicity 0.4396424E+01 Ellipticity 0.2580686E-01 Gb(Abramov) 0.2134173E+00 Vb(Abramov) -0.2743287E+00 Hb(Abramov) -0.6091144E-01 Ex_ueg -0.5501968E-01 Ec_ueg -0.7971090E-02 Delta_ex -0.6449582E-01 Delta_ec 0.1530214E-01 Delta_et -0.2014352E+00 Pxc 0.6902403E+01 Qxc -0.4214825E+01 3,-1 152 3 +1 -1.056228 1.326625 2.150957 Rho 0.2378518E-01 |GRAD(Rho)| 0.1707144E-13 GRAD(Rho)x 0.4552081E-14 GRAD(Rho)y 0.1207892E-13 GRAD(Rho)z 0.1117194E-13 Laplacian 0.9293050E-01 (-1/4)Del**2(Rho)) -0.2323262E-01 Diamond 0.1112932E-01 Metallicity 0.1458699E+01 Ellipticity -0.3125934E+01 Gb(Abramov) 0.2113665E-01 Vb(Abramov) -0.1904067E-01 Hb(Abramov) 0.2095975E-02 Ex_ueg -0.5051964E-02 Ec_ueg -0.1027746E-02 Delta_ex -0.5678022E-02 Delta_ec 0.1531457E-02 Delta_et -0.1336622E-01 Pxc 0.4915575E+01 Qxc -0.3707595E+01 3,+1 153 3 -1 -0.085260 3.147798 -3.156376 Rho 0.2340341E+00 |GRAD(Rho)| 0.3996018E-15 GRAD(Rho)x 0.4705437E-16 GRAD(Rho)y -0.8201989E-16 GRAD(Rho)z 0.3882528E-15 Laplacian 0.8422004E+00 (-1/4)Del**2(Rho)) -0.2105501E+00 Diamond 0.2901077E+01 Metallicity 0.7272154E+01 Ellipticity 0.1045186E-02 Gb(Abramov) 0.3955589E+00 Vb(Abramov) -0.5805676E+00 Hb(Abramov) -0.1850088E+00 Ex_ueg -0.1065182E+00 Ec_ueg -0.1402769E-01 Delta_ex -0.1011515E+00 Delta_ec 0.1885489E-01 Delta_et -0.2614038E+00 Pxc 0.7593430E+01 Qxc -0.5364736E+01 3,-1 154 3 -1 0.067970 3.213343 3.204843 Rho 0.2333692E+00 |GRAD(Rho)| 0.4875075E-10 GRAD(Rho)x 0.9600521E-11 GRAD(Rho)y 0.3332846E-10 GRAD(Rho)z 0.3425900E-10 Laplacian 0.8328790E+00 (-1/4)Del**2(Rho)) -0.2082197E+00 Diamond 0.2865076E+01 Metallicity 0.7318753E+01 Ellipticity 0.6095445E-02 Gb(Abramov) 0.3927980E+00 Vb(Abramov) -0.5773762E+00 Hb(Abramov) -0.1845782E+00 Ex_ueg -0.1061149E+00 Ec_ueg -0.1398195E-01 Delta_ex -0.9999062E-01 Delta_ec 0.1872004E-01 Delta_et -0.2597492E+00 Pxc 0.7589422E+01 Qxc -0.5341368E+01 3,-1 155 3 -1 0.441768 1.650419 -1.668105 Rho 0.4020136E-01 |GRAD(Rho)| 0.1383876E-13 GRAD(Rho)x 0.4033775E-14 GRAD(Rho)y 0.1289267E-13 GRAD(Rho)z -0.3003164E-14 Laplacian 0.1639372E+00 (-1/4)Del**2(Rho)) -0.4098430E-01 Diamond 0.6345405E-01 Metallicity 0.1983065E+01 Ellipticity 0.8734023E-02 Gb(Abramov) 0.4086862E-01 Vb(Abramov) -0.4075294E-01 Hb(Abramov) 0.1156796E-03 Ex_ueg -0.1017121E-01 Ec_ueg -0.1880869E-02 Delta_ex -0.1287515E-01 Delta_ec 0.5064701E-02 Delta_et -0.5042294E-01 Pxc 0.5407719E+01 Qxc -0.2542134E+01 3,-1 156 3 -1 0.556657 1.826864 2.763375 Rho 0.1273009E+00 |GRAD(Rho)| 0.1010973E-15 GRAD(Rho)x -0.5262446E-16 GRAD(Rho)y 0.8131516E-16 GRAD(Rho)z 0.2896853E-16 Laplacian 0.5343474E+00 (-1/4)Del**2(Rho)) -0.1335868E+00 Diamond 0.8777303E+00 Metallicity 0.4154401E+01 Ellipticity 0.1207951E-01 Gb(Abramov) 0.1815535E+00 Vb(Abramov) -0.2295201E+00 Hb(Abramov) -0.4796661E-01 Ex_ueg -0.4729627E-01 Ec_ueg -0.7006698E-02 Delta_ex -0.5499862E-01 Delta_ec 0.1385651E-01 Delta_et -0.1794410E+00 Pxc 0.6750151E+01 Qxc -0.3969153E+01 3,-1 157 3 +1 1.110138 1.192490 -2.109562 Rho 0.2434125E-01 |GRAD(Rho)| 0.3359506E-16 GRAD(Rho)x -0.2514863E-16 GRAD(Rho)y 0.9391067E-17 GRAD(Rho)z 0.2019858E-16 Laplacian 0.9853735E-01 (-1/4)Del**2(Rho)) -0.2463434E-01 Diamond 0.1397377E-01 Metallicity 0.1429718E+01 Ellipticity -0.7641556E+01 Gb(Abramov) 0.2229292E-01 Vb(Abramov) -0.1995150E-01 Hb(Abramov) 0.2341418E-02 Ex_ueg -0.5210055E-02 Ec_ueg -0.1055605E-02 Delta_ex -0.6259557E-02 Delta_ec 0.1983809E-02 Delta_et -0.1731913E-01 Pxc 0.4935611E+01 Qxc -0.3155322E+01 3,+1 158 3 -1 3.201809 3.192450 0.076442 Rho 0.2459478E+00 |GRAD(Rho)| 0.2856387E-15 GRAD(Rho)x 0.2542454E-15 GRAD(Rho)y -0.1148170E-15 GRAD(Rho)z 0.6136584E-16 Laplacian 0.8848100E+00 (-1/4)Del**2(Rho)) -0.2212025E+00 Diamond 0.3227903E+01 Metallicity 0.7519136E+01 Ellipticity 0.1305360E-02 Gb(Abramov) 0.4246769E+00 Vb(Abramov) -0.6281514E+00 Hb(Abramov) -0.2034744E+00 Ex_ueg -0.1138087E+00 Ec_ueg -0.1485123E-01 Delta_ex -0.1076154E+00 Delta_ec 0.1944994E-01 Delta_et -0.2698275E+00 Pxc 0.7663251E+01 Qxc -0.5532942E+01 3,-1 159 3 +3 -1.176324 1.108374 -1.108335 Rho 0.4859577E-02 |GRAD(Rho)| 0.4239346E-17 GRAD(Rho)x -0.1909639E-17 GRAD(Rho)y -0.3520456E-17 GRAD(Rho)z -0.1389866E-17 Laplacian 0.1978855E-01 (-1/4)Del**2(Rho)) -0.4947138E-02 Diamond 0.1421912E-03 Metallicity 0.4855081E+00 Ellipticity -0.2484030E+00 Gb(Abramov) 0.3698405E-02 Vb(Abramov) -0.2449671E-02 Hb(Abramov) 0.1248733E-02 Ex_ueg -0.6079245E-03 Ec_ueg -0.1408748E-03 Delta_ex -0.6872589E-03 Delta_ec 0.1031654E-03 Delta_et -0.7663605E-03 Pxc 0.4315352E+01 Qxc -0.6661717E+01 3,+3 160 3 -1 0.824779 2.932406 -1.961219 Rho 0.1287424E+00 |GRAD(Rho)| 0.1779036E-14 GRAD(Rho)x -0.1270333E-14 GRAD(Rho)y -0.5482133E-15 GRAD(Rho)z -0.1118341E-14 Laplacian 0.5127760E+00 (-1/4)Del**2(Rho)) -0.1281940E+00 Diamond 0.8576661E+00 Metallicity 0.4411178E+01 Ellipticity 0.4438452E-01 Gb(Abramov) 0.1797104E+00 Vb(Abramov) -0.2312269E+00 Hb(Abramov) -0.5151643E-01 Ex_ueg -0.4801169E-01 Ec_ueg -0.7096948E-02 Delta_ex -0.5296965E-01 Delta_ec 0.1334620E-01 Delta_et -0.1733046E+00 Pxc 0.6765118E+01 Qxc -0.3968893E+01 3,-1 161 3 -1 0.573497 2.812627 1.820685 Rho 0.1249394E+00 |GRAD(Rho)| 0.4623280E-15 GRAD(Rho)x -0.2673643E-15 GRAD(Rho)y -0.3078457E-16 GRAD(Rho)z 0.3759200E-15 Laplacian 0.5217501E+00 (-1/4)Del**2(Rho)) -0.1304375E+00 Diamond 0.8442095E+00 Metallicity 0.4123978E+01 Ellipticity 0.1149985E-01 Gb(Abramov) 0.1766119E+00 Vb(Abramov) -0.2227863E+00 Hb(Abramov) -0.4617440E-01 Ex_ueg -0.4613008E-01 Ec_ueg -0.6859150E-02 Delta_ex -0.5353954E-01 Delta_ec 0.1373215E-01 Delta_et -0.1775409E+00 Pxc 0.6725336E+01 Qxc -0.3898845E+01 3,-1 162 3 -1 1.681180 0.462935 -1.695111 Rho 0.3536491E-01 |GRAD(Rho)| 0.6304664E-15 GRAD(Rho)x 0.4184053E-15 GRAD(Rho)y -0.1718636E-15 GRAD(Rho)z -0.4391900E-15 Laplacian 0.1361088E+00 (-1/4)Del**2(Rho)) -0.3402720E-01 Diamond 0.4196695E-01 Metallicity 0.1929070E+01 Ellipticity 0.2684643E-01 Gb(Abramov) 0.3362494E-01 Vb(Abramov) -0.3322267E-01 Hb(Abramov) 0.4022607E-03 Ex_ueg -0.8573308E-02 Ec_ueg -0.1623513E-02 Delta_ex -0.1020268E-01 Delta_ec 0.3928127E-02 Delta_et -0.3774924E-01 Pxc 0.5280715E+01 Qxc -0.2597339E+01 3,-1 163 3 -1 1.908994 -0.629943 -2.822884 Rho 0.1570170E+00 |GRAD(Rho)| 0.1803980E-12 GRAD(Rho)x 0.1348446E-12 GRAD(Rho)y 0.1193147E-12 GRAD(Rho)z 0.1115218E-13 Laplacian 0.6008623E+00 (-1/4)Del**2(Rho)) -0.1502156E+00 Diamond 0.1310265E+01 Metallicity 0.5241021E+01 Ellipticity 0.1120633E+00 Gb(Abramov) 0.2313575E+00 Vb(Abramov) -0.3124995E+00 Hb(Abramov) -0.8114197E-01 Ex_ueg -0.6256247E-01 Ec_ueg -0.8894204E-02 Delta_ex -0.6548231E-01 Delta_ec 0.1547165E-01 Delta_et -0.2082194E+00 Pxc 0.7034071E+01 Qxc -0.4232407E+01 3,-1 164 3 -1 1.947387 -0.852666 2.989309 Rho 0.1425382E+00 |GRAD(Rho)| 0.8426065E-12 GRAD(Rho)x -0.4518234E-12 GRAD(Rho)y -0.5955996E-12 GRAD(Rho)z 0.3887189E-12 Laplacian 0.5662003E+00 (-1/4)Del**2(Rho)) -0.1415501E+00 Diamond 0.1084912E+01 Metallicity 0.4733641E+01 Ellipticity 0.2935515E-01 Gb(Abramov) 0.2060413E+00 Vb(Abramov) -0.2705324E+00 Hb(Abramov) -0.6449118E-01 Ex_ueg -0.5499124E-01 Ec_ueg -0.7967577E-02 Delta_ex -0.6011021E-01 Delta_ec 0.1465657E-01 Delta_et -0.1939180E+00 Pxc 0.6901877E+01 Qxc -0.4101248E+01 3,-1 165 3 -1 1.647495 -0.534047 1.675093 Rho 0.3585345E-01 |GRAD(Rho)| 0.3018475E-16 GRAD(Rho)x -0.2407543E-16 GRAD(Rho)y -0.1615609E-16 GRAD(Rho)z -0.8394838E-17 Laplacian 0.1382858E+00 (-1/4)Del**2(Rho)) -0.3457146E-01 Diamond 0.4324291E-01 Metallicity 0.1942617E+01 Ellipticity 0.4671595E-01 Gb(Abramov) 0.3424082E-01 Vb(Abramov) -0.3391018E-01 Hb(Abramov) 0.3306363E-03 Ex_ueg -0.8731584E-02 Ec_ueg -0.1649303E-02 Delta_ex -0.1038777E-01 Delta_ec 0.3966815E-02 Delta_et -0.3826207E-01 Pxc 0.5294106E+01 Qxc -0.2618666E+01 3,-1 166 3 -1 1.795641 0.554142 2.758358 Rho 0.1405591E+00 |GRAD(Rho)| 0.1067298E-15 GRAD(Rho)x -0.6245005E-16 GRAD(Rho)y 0.5773377E-16 GRAD(Rho)z -0.6448292E-16 Laplacian 0.5886756E+00 (-1/4)Del**2(Rho)) -0.1471689E+00 Diamond 0.1101282E+01 Metallicity 0.4448038E+01 Ellipticity 0.1225093E-01 Gb(Abramov) 0.2072147E+00 Vb(Abramov) -0.2672606E+00 Hb(Abramov) -0.6004585E-01 Ex_ueg -0.5397552E-01 Ec_ueg -0.7841924E-02 Delta_ex -0.6219793E-01 Delta_ec 0.1513695E-01 Delta_et -0.1995336E+00 Pxc 0.6882943E+01 Qxc -0.4109012E+01 3,-1 167 3 -1 -1.801831 0.466355 -2.841509 Rho 0.1231688E+00 |GRAD(Rho)| 0.1756865E-14 GRAD(Rho)x -0.1092977E-14 GRAD(Rho)y -0.1373820E-14 GRAD(Rho)z 0.6778635E-16 Laplacian 0.5085341E+00 (-1/4)Del**2(Rho)) -0.1271335E+00 Diamond 0.8167159E+00 Metallicity 0.4131691E+01 Ellipticity 0.1479753E-01 Gb(Abramov) 0.1723017E+00 Vb(Abramov) -0.2174700E+00 Hb(Abramov) -0.4516822E-01 Ex_ueg -0.4526051E-01 Ec_ueg -0.6748771E-02 Delta_ex -0.5210713E-01 Delta_ec 0.1361200E-01 Delta_et -0.1758815E+00 Pxc 0.6706482E+01 Qxc -0.3828029E+01 3,-1 168 3 -1 2.781141 0.561018 1.812739 Rho 0.1368847E+00 |GRAD(Rho)| 0.3325448E-14 GRAD(Rho)x -0.3839092E-15 GRAD(Rho)y -0.2205511E-14 GRAD(Rho)z 0.2459052E-14 Laplacian 0.5755503E+00 (-1/4)Del**2(Rho)) -0.1438876E+00 Diamond 0.1052068E+01 Metallicity 0.4352991E+01 Ellipticity 0.1256042E-01 Gb(Abramov) 0.2003153E+00 Vb(Abramov) -0.2567430E+00 Hb(Abramov) -0.5642771E-01 Ex_ueg -0.5210244E-01 Ec_ueg -0.7609305E-02 Delta_ex -0.6052238E-01 Delta_ec 0.1507726E-01 Delta_et -0.1983185E+00 Pxc 0.6847201E+01 Qxc -0.4014149E+01 3,-1 169 3 -1 2.936446 -0.860756 1.975217 Rho 0.1675339E+00 |GRAD(Rho)| 0.1955464E-14 GRAD(Rho)x -0.9892938E-15 GRAD(Rho)y 0.1332783E-14 GRAD(Rho)z 0.1033841E-14 Laplacian 0.6627735E+00 (-1/4)Del**2(Rho)) -0.1656934E+00 Diamond 0.1528963E+01 Metallicity 0.5293617E+01 Ellipticity 0.4715660E-01 Gb(Abramov) 0.2566484E+00 Vb(Abramov) -0.3476035E+00 Hb(Abramov) -0.9095507E-01 Ex_ueg -0.6821114E-01 Ec_ueg -0.9575227E-02 Delta_ex -0.7310913E-01 Delta_ec 0.1627851E-01 Delta_et -0.2196175E+00 Pxc 0.7123710E+01 Qxc -0.4491144E+01 3,-1 170 3 -1 -1.691715 0.493301 1.719615 Rho 0.4426735E-01 |GRAD(Rho)| 0.8053904E-16 GRAD(Rho)x 0.6584665E-16 GRAD(Rho)y 0.3961753E-16 GRAD(Rho)z -0.2410825E-16 Laplacian 0.1744000E+00 (-1/4)Del**2(Rho)) -0.4359999E-01 Diamond 0.7419152E-01 Metallicity 0.2188799E+01 Ellipticity 0.1210045E-01 Gb(Abramov) 0.4497193E-01 Vb(Abramov) -0.4634387E-01 Hb(Abramov) -0.1371942E-02 Ex_ueg -0.1156546E-01 Ec_ueg -0.2100534E-02 Delta_ex -0.1388681E-01 Delta_ec 0.5135168E-02 Delta_et -0.5242671E-01 Pxc 0.5505963E+01 Qxc -0.2704257E+01 3,-1 171 3 -1 -0.769304 -3.418451 -1.286550 Rho 0.3111329E+00 |GRAD(Rho)| 0.5765287E-15 GRAD(Rho)x 0.1942522E-15 GRAD(Rho)y -0.5421134E-15 GRAD(Rho)z -0.2765092E-16 Laplacian -0.1604160E+01 (-1/4)Del**2(Rho)) 0.4010401E+00 Diamond 0.5439141E+01 Metallicity -0.6136801E+01 Ellipticity 0.1900159E-02 Gb(Abramov) 0.1428238E+00 Vb(Abramov) -0.6866877E+00 Hb(Abramov) -0.5438639E+00 Ex_ueg -0.1557088E+00 Ec_ueg -0.1949513E-01 Delta_ex 0.1579210E+00 Delta_ec 0.5609750E-01 Delta_et -0.1315865E+01 Pxc 0.7987059E+01 Qxc 0.2815116E+01 3,-1 172 3 -1 0.281038 -0.406838 0.345908 Rho 0.1965213E+00 |GRAD(Rho)| 0.3744778E-12 GRAD(Rho)x -0.1728173E-12 GRAD(Rho)y 0.2092005E-12 GRAD(Rho)z -0.2580755E-12 Laplacian 0.6591900E+00 (-1/4)Del**2(Rho)) -0.1647975E+00 Diamond 0.2058647E+01 Metallicity 0.6944143E+01 Ellipticity 0.2082557E-02 Gb(Abramov) 0.3005946E+00 Vb(Abramov) -0.4363916E+00 Hb(Abramov) -0.1357971E+00 Ex_ueg -0.8438487E-01 Ec_ueg -0.1148556E-01 Delta_ex -0.7720488E-01 Delta_ec 0.1820869E-01 Delta_et -0.2587648E+00 Pxc 0.7347041E+01 Qxc -0.4240002E+01 3,-1 173 3 -1 1.994597 0.812227 -2.975475 Rho 0.1522252E+00 |GRAD(Rho)| 0.3770520E-13 GRAD(Rho)x -0.3152123E-13 GRAD(Rho)y 0.1480454E-13 GRAD(Rho)z 0.1445407E-13 Laplacian 0.6027973E+00 (-1/4)Del**2(Rho)) -0.1506993E+00 Diamond 0.1249650E+01 Metallicity 0.4961190E+01 Ellipticity 0.4032406E-01 Gb(Abramov) 0.2250742E+00 Vb(Abramov) -0.2994491E+00 Hb(Abramov) -0.7437490E-01 Ex_ueg -0.6002981E-01 Ec_ueg -0.8586108E-02 Delta_ex -0.6503111E-01 Delta_ec 0.1534799E-01 Delta_et -0.2049854E+00 Pxc 0.6991504E+01 Qxc -0.4237110E+01 3,-1 174 3 -1 -0.427079 0.335805 0.367012 Rho 0.1981109E+00 |GRAD(Rho)| 0.1108762E-15 GRAD(Rho)x 0.3947961E-16 GRAD(Rho)y -0.1022149E-15 GRAD(Rho)z 0.1694145E-16 Laplacian 0.6762191E+00 (-1/4)Del**2(Rho)) -0.1690548E+00 Diamond 0.2121648E+01 Metallicity 0.6860771E+01 Ellipticity 0.1430159E-02 Gb(Abramov) 0.3060108E+00 Vb(Abramov) -0.4429669E+00 Hb(Abramov) -0.1369561E+00 Ex_ueg -0.8529615E-01 Ec_ueg -0.1159169E-01 Delta_ex -0.7928357E-01 Delta_ec 0.1850964E-01 Delta_et -0.2629404E+00 Pxc 0.7358386E+01 Qxc -0.4283366E+01 3,-1 175 3 -1 3.260032 -0.022676 -3.196076 Rho 0.2448266E+00 |GRAD(Rho)| 0.2197437E-15 GRAD(Rho)x 0.1606788E-15 GRAD(Rho)y -0.6949736E-16 GRAD(Rho)z 0.1328148E-15 Laplacian 0.8808852E+00 (-1/4)Del**2(Rho)) -0.2202213E+00 Diamond 0.3193913E+01 Metallicity 0.7495344E+01 Ellipticity 0.2454776E-02 Gb(Abramov) 0.4219199E+00 Vb(Abramov) -0.6236186E+00 Hb(Abramov) -0.2016986E+00 Ex_ueg -0.1131175E+00 Ec_ueg -0.1477340E-01 Delta_ex -0.1069994E+00 Delta_ec 0.1937125E-01 Delta_et -0.2686145E+00 Pxc 0.7656837E+01 Qxc -0.5523621E+01 3,-1 176 3 -1 3.182012 0.025365 3.196710 Rho 0.2448369E+00 |GRAD(Rho)| 0.3207669E-15 GRAD(Rho)x -0.7892992E-16 GRAD(Rho)y 0.1327606E-15 GRAD(Rho)z -0.2811336E-15 Laplacian 0.8819931E+00 (-1/4)Del**2(Rho)) -0.2204983E+00 Diamond 0.3198633E+01 Metallicity 0.7486452E+01 Ellipticity 0.6217006E-02 Gb(Abramov) 0.4221238E+00 Vb(Abramov) -0.6237493E+00 Hb(Abramov) -0.2016255E+00 Ex_ueg -0.1131238E+00 Ec_ueg -0.1477411E-01 Delta_ex -0.1071380E+00 Delta_ec 0.1940038E-01 Delta_et -0.2690416E+00 Pxc 0.7656896E+01 Qxc -0.5522467E+01 3,-1 177 3 -1 -0.469975 -0.387172 -0.369708 Rho 0.2068871E+00 |GRAD(Rho)| 0.8980377E-15 GRAD(Rho)x 0.6332228E-15 GRAD(Rho)y 0.4028364E-15 GRAD(Rho)z 0.4931768E-15 Laplacian 0.7642939E+00 (-1/4)Del**2(Rho)) -0.1910735E+00 Diamond 0.2488035E+01 Metallicity 0.6524918E+01 Ellipticity 0.3172785E-01 Gb(Abramov) 0.3351721E+00 Vb(Abramov) -0.4792708E+00 Hb(Abramov) -0.1440987E+00 Ex_ueg -0.9037110E-01 Ec_ueg -0.1218022E-01 Delta_ex -0.9033275E-01 Delta_ec 0.2024849E-01 Delta_et -0.2878553E+00 Pxc 0.7419494E+01 Qxc -0.4461208E+01 3,-1 178 3 -1 0.291652 0.323558 -0.371876 Rho 0.1994504E+00 |GRAD(Rho)| 0.1027526E-15 GRAD(Rho)x -0.5399644E-16 GRAD(Rho)y 0.1456183E-16 GRAD(Rho)z 0.8620003E-16 Laplacian 0.6840259E+00 (-1/4)Del**2(Rho)) -0.1710065E+00 Diamond 0.2168522E+01 Metallicity 0.6859074E+01 Ellipticity 0.1133396E-02 Gb(Abramov) 0.3094953E+00 Vb(Abramov) -0.4479842E+00 Hb(Abramov) -0.1384888E+00 Ex_ueg -0.8606600E-01 Ec_ueg -0.1168124E-01 Delta_ex -0.8036657E-01 Delta_ec 0.1875140E-01 Delta_et -0.2667851E+00 Pxc 0.7367879E+01 Qxc -0.4285896E+01 3,-1 179 3 -1 2.991734 0.828983 -1.963483 Rho 0.1378764E+00 |GRAD(Rho)| 0.4916197E-12 GRAD(Rho)x -0.1565107E-12 GRAD(Rho)y -0.3554576E-12 GRAD(Rho)z -0.3014037E-12 Laplacian 0.5627115E+00 (-1/4)Del**2(Rho)) -0.1406779E+00 Diamond 0.1032934E+01 Metallicity 0.4506201E+01 Ellipticity 0.2406009E-01 Gb(Abramov) 0.1994390E+00 Vb(Abramov) -0.2582002E+00 Hb(Abramov) -0.5876116E-01 Ex_ueg -0.5260636E-01 Ec_ueg -0.7672004E-02 Delta_ex -0.5922441E-01 Delta_ec 0.1462326E-01 Delta_et -0.1923776E+00 Pxc 0.6856925E+01 Qxc -0.4050013E+01 3,-1 180 3 -1 -1.834983 2.771662 -0.562194 Rho 0.1244581E+00 |GRAD(Rho)| 0.2343174E-15 GRAD(Rho)x -0.1668723E-15 GRAD(Rho)y 0.3453523E-16 GRAD(Rho)z 0.1608278E-15 Laplacian 0.5105339E+00 (-1/4)Del**2(Rho)) -0.1276335E+00 Diamond 0.8245195E+00 Metallicity 0.4187552E+01 Ellipticity 0.6590428E-02 Gb(Abramov) 0.1741676E+00 Vb(Abramov) -0.2207018E+00 Hb(Abramov) -0.4653414E-01 Ex_ueg -0.4589327E-01 Ec_ueg -0.6829121E-02 Delta_ex -0.5236921E-01 Delta_ec 0.1350130E-01 Delta_et -0.1745351E+00 Pxc 0.6720231E+01 Qxc -0.3878828E+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 77 125 84 78 88 85 81 172 177 178 174 155 151 123 124 160 153 117 156 161 118 121 154 97 102 95 103 96 99 132 140 135 141 136 158 71 60 180 63 110 106 68 108 67 107 65 55 54 144 167 109 148 143 170 142 112 58 145 146 165 168 166 169 164 176 162 100 163 179 173 175 76 86 149 128 89 73 171 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 21 21 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 36 52 52 53 53 2.440851 1.952176 1.901402 1.943907 1.920432 1.735238 1.571397 1.546880 1.564747 1.567674 2.442125 1.905785 1.912191 1.994057 1.959475 1.726311 2.486246 1.954785 1.961021 1.960004 1.877246 1.727514 2.465254 1.938037 1.805140 2.063685 1.979886 1.742634 2.526585 1.916301 1.908928 1.935090 1.939363 1.734533 2.478220 1.797243 1.964564 1.964169 2.075478 1.732940 2.373461 1.944453 1.969843 1.915034 1.921872 1.735093 2.418026 2.265768 1.965549 1.970898 1.737968 1.740201 2.422150 1.935152 1.917442 1.938534 1.934923 1.735981 2.514088 1.947718 1.939513 1.880227 1.942100 1.736254 2.517949 1.941131 1.910862 1.953637 1.917291 1.736297 3.242193 3.087543 3.123548 1.007980 1.675501 1.742942 1.004144 2.441949 1.952568 1.901883 1.944543 1.921066 1.735240 1.571437 1.546973 1.564789 1.567687 2.443219 1.906314 1.912841 1.994927 1.960277 1.726324 2.487336 1.955404 1.961576 1.960714 1.877899 1.727527 2.466272 1.938418 1.805273 2.064231 1.980494 1.742655 2.527657 1.916683 1.909418 1.935655 1.939971 1.734535 2.479216 1.797613 1.965069 1.964910 2.076266 1.732964 2.375055 1.944907 1.970272 1.915666 1.923138 1.735102 2.419616 2.266270 1.966136 1.971677 1.738001 1.740237 2.423306 1.935566 1.917922 1.939165 1.935528 1.735984 2.515110 1.948131 1.940008 1.880741 1.942683 1.736259 2.518925 1.941644 1.912136 1.954196 1.917845 1.736299 3.288008 3.089361 3.126698 1.008073 1.680092 1.743905 1.004267 27 27 27 25 26 21 21 21 21 19 27 27 23 24 23 22 29 23 25 23 23 23 29 25 23 25 25 23 29 23 26 23 26 20 29 22 23 23 27 22 28 23 25 23 23 21 27 27 25 26 24 23 27 23 25 25 26 20 29 24 25 25 27 21 29 25 26 23 23 20 35 33 33 18 23 25 20 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 P Mo Mo W W Mo W Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.4821 2.3093 2.3489 2.3273 2.4274 2.4718 2.3306 2.4657 2.2636 2.4557 2.4756 2.4538 -1.0522 -0.9911 -1.0446 -1.0476 -0.9561 -0.9731 -0.8472 -0.9598 -0.7668 -0.9308 -0.9171 -0.9552 -0.9089 -0.9605 -0.9279 -0.9024 -0.9639 -0.9554 -0.9663 -0.9375 -0.9678 -0.9328 -0.9303 -0.6999 -0.7812 -0.8963 -0.9743 -0.9292 -0.7812 -0.7842 -0.7014 -0.7111 -0.8020 -0.7793 -0.7239 -0.7747 -0.7327 -0.7801 -0.7869 0.2986 0.3236 2.0877 2.5107 1.9444 1.9531 2.1104 2.0877 1.9330 2.1127 1.9884 2.0951 2.0879 2.0990 1.8942 1.8992 1.8962 1.8944 1.9333 1.9315 1.9611 1.9334 1.8790 1.9360 1.9410 1.9331 1.9413 1.9320 1.9363 1.9564 1.9439 1.9443 1.9430 1.9467 1.9421 1.9449 1.9458 1.9762 1.8791 1.9503 1.9421 1.9448 1.9679 1.9664 1.9788 1.9774 1.9643 1.9684 1.9755 1.9678 1.9730 1.9678 1.9670 0.5378 0.5235 6.0931 7.3532 6.0704 6.0803 6.1068 6.0969 6.0776 6.1042 6.0789 6.1026 6.0924 6.1097 5.1186 5.0529 5.1096 5.1135 4.9932 5.0114 4.8576 4.9959 4.8557 4.9682 4.9503 4.9918 4.9410 4.9975 4.9632 4.9130 4.9892 4.9805 4.9912 4.9607 4.9932 4.9587 4.9540 4.6911 4.8711 4.9190 5.0002 4.9545 4.7772 4.7819 4.6886 4.6999 4.8028 4.7745 4.7156 4.7707 4.7279 4.7762 4.7839 0.1637 0.1529 3.3076 0.8268 3.6363 3.6393 3.3266 3.3142 3.6589 3.2881 3.6691 3.3171 3.3148 3.3085 0.0394 0.0389 0.0389 0.0397 0.0296 0.0303 0.0285 0.0305 0.0321 0.0266 0.0258 0.0303 0.0266 0.0310 0.0285 0.0330 0.0308 0.0306 0.0321 0.0301 0.0325 0.0293 0.0304 0.0326 0.0310 0.0270 0.0320 0.0300 0.0362 0.0359 0.0340 0.0337 0.0349 0.0364 0.0329 0.0361 0.0318 0.0361 0.0360 0.0000 0.0000 14.0296 0.0000 0.0000 0.0000 14.0288 14.0294 0.0000 14.0294 0.0000 14.0295 14.0293 14.0290 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 P Mo Mo W W Mo W Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.519627 2.004475 3.184538 3.181875 2.493105 2.515651 3.164745 2.537443 3.154228 2.517419 2.512192 2.515705 -1.034206 -1.021065 -1.067824 -1.101459 -0.954880 -0.961051 -1.118685 -0.954170 -0.615996 -1.074109 -1.183867 -0.954717 -1.185559 -0.952593 -1.064481 -0.757597 -0.948648 -1.052625 -0.944400 -1.052371 -0.945268 -1.038229 -1.050679 -0.970609 -0.605259 -1.150730 -0.947205 -1.048520 -0.811676 -0.820141 -0.968587 -0.981375 -0.840990 -0.809015 -0.993991 -0.803794 -1.001060 -0.810222 -0.818840 0.050996 0.064494 1.940275 1.567744 2.382479 2.370656 1.914524 1.950090 2.372242 1.963263 2.361615 1.946953 1.943392 1.948375 -0.742874 -0.780356 -0.807940 -0.854340 -0.707440 -0.726218 -0.895261 -0.716970 -0.737047 -0.817073 -0.910584 -0.717293 -0.913991 -0.710543 -0.816041 -0.629207 -0.784792 -0.839944 -0.760044 -0.850717 -0.765259 -0.832986 -0.853614 -0.752422 -0.763747 -0.942583 -0.772572 -0.841833 -0.710494 -0.704521 -0.737778 -0.753188 -0.742198 -0.700065 -0.758721 -0.688196 -0.781662 -0.700468 -0.716084 0.284818 0.290641 2.043294 1.536853 2.470995 2.458022 2.012175 2.052677 2.449838 2.068502 2.447005 2.049035 2.048794 2.050319 -0.797171 -0.835870 -0.847286 -0.883329 -0.794086 -0.809795 -0.937693 -0.794729 -0.774680 -0.900568 -1.003029 -0.787525 -0.981606 -0.814321 -0.890943 -0.735454 -0.818341 -0.880065 -0.811486 -0.903207 -0.799670 -0.886902 -0.893118 -0.740489 -0.787038 -0.974193 -0.817664 -0.880591 -0.675598 -0.682650 -0.699859 -0.714507 -0.711640 -0.662704 -0.717525 -0.667509 -0.770901 -0.659228 -0.684198 0.370920 0.368741 0.06428124 0.69735611 -1.57691510 1.72542715 -15.89552363 1.11423950 -2.40923663 10.89143944 9.43241235 5.00408419 -371.6635 403.3945 -76.1060 -379.3691 -29.4966 -453.2408 May03-2024 18:53:20 Nodes: 1 Procs: 1 May03-2024 18:53:20 Nodes: 1 Procs: 1 0 May03-2024 18:53:21 Nodes: 1 Procs: 1 May03-2024 18:53:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May03-2024 18:53:22 Nodes: 1 Procs: 1 May03-2024 18:53:23 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May03-2024 18:53:23 Nodes: 1 Procs: 1 May03-2024 18:53:24 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May03-2024 18:53:24 Nodes: 1 Procs: 1 May03-2024 18:53:25 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 May03-2024 18:53:27 Nodes: 1 Procs: 24 *** (NO TITLE) *** -5 -15.98939896 -16.44020684 -16.12817638 -16.45703177 -16.58811681 -16.61662665 -16.63032682 -16.63121593 -16.63184790 -16.63723007 -16.64173271 -16.64476775 -16.64701302 -16.64751237 -16.65186096 -16.65250043 -16.65459508 -16.65537103 -16.65569487 -16.65590901 -16.65601755 -16.65606872 -16.65612890 -16.65618165 -16.65621083 -16.65624676 -16.65626513 -16.65628057 -16.65628933 -16.65629249 GEOMETRY CONVERGED