ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:20:20 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.05 2.93 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 Jun19-2024 18:20:20 Nodes: 1 Procs: 1 Jun19-2024 18:20:23 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:20:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.07 2.66 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 Jun19-2024 18:20:20 Nodes: 1 Procs: 1 Jun19-2024 18:20:23 Nodes: 1 Procs: 1 0 Jun19-2024 18:20:27 Nodes: 1 Procs: 1 Jun19-2024 18:20:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:20:33 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.09 3.33 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun19-2024 18:20:20 Nodes: 1 Procs: 1 Jun19-2024 18:20:23 Nodes: 1 Procs: 1 0 Jun19-2024 18:20:27 Nodes: 1 Procs: 1 Jun19-2024 18:20:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 18:20:33 Nodes: 1 Procs: 1 Jun19-2024 18:20:36 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:20:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.39 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 Jun19-2024 18:20:20 Nodes: 1 Procs: 1 Jun19-2024 18:20:23 Nodes: 1 Procs: 1 0 Jun19-2024 18:20:27 Nodes: 1 Procs: 1 Jun19-2024 18:20:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 18:20:33 Nodes: 1 Procs: 1 Jun19-2024 18:20:36 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 18:20:41 Nodes: 1 Procs: 1 Jun19-2024 18:20:42 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:20:44 Hydrogen (TZP) c5-32 c5-32 c5-32 c5-32 c5-32 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.09 3.72 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 Jun19-2024 18:20:20 Nodes: 1 Procs: 1 Jun19-2024 18:20:23 Nodes: 1 Procs: 1 0 Jun19-2024 18:20:27 Nodes: 1 Procs: 1 Jun19-2024 18:20:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 18:20:33 Nodes: 1 Procs: 1 Jun19-2024 18:20:36 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 18:20:41 Nodes: 1 Procs: 1 Jun19-2024 18:20:42 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 18:20:44 Nodes: 1 Procs: 1 Jun19-2024 18:20:47 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 18:20:53 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2213.8945999999987 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219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.466 -6.301 -6.239 -6.168 -6.116 -6.029 -6.003 -5.805 -5.608 -5.088 -3.194 -3.019 -2.651 -2.565 -2.346 -2.252 -2.066 -1.991 -1.931 -1.805 A A A A A A A A A A A A A A A A A A A A 0.00000000048913 0.00043578782865 0.00031175019969 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 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 73 73 73 73 33 1 1 0.639737 -2.772582 2.246685 -0.777321 3.686514 -0.628733 2.202293 3.454451 1.810287 2.123920 0.506784 3.580257 -2.280801 1.012103 -2.162502 -3.256435 -3.411526 -0.400368 1.932926 1.613251 -4.044968 2.705850 5.056255 2.258947 -0.114992 -0.990311 0.829843 -1.307840 1.293216 2.217674 -0.497230 1.384085 -0.507195 1.376792 1.215680 1.489149 0.363638 0.931986 4.228698 -2.430787 -0.528877 -1.185462 2.195562 -3.323859 -2.105865 1.147450 -0.616716 -2.280947 5.211285 0.496096 -0.107767 2.799393 -1.062771 -0.118257 -1.845142 3.537368 0.962373 1.431419 -1.267478 3.134832 0.770207 3.809202 0.638367 -1.099432 5.346173 -1.017553 2.645095 1.488564 -1.252570 -3.102204 -1.224863 1.416106 -0.464168 -2.727472 -1.056841 -3.639552 0.951405 -3.248371 -0.835516 0.976922 -3.240942 2.309895 2.555545 3.445490 1.608966 -3.238326 0.808669 -2.318475 2.816301 -1.589135 3.558314 0.346462 2.370508 2.923137 0.265034 5.100844 3.595495 2.780601 0.910350 -1.090594 -3.147365 1.774905 0.392475 3.193037 -2.015471 0.983863 -4.024263 3.406888 3.488899 0.628346 0.314449 -2.136591 -2.128013 0.183266 1.174386 1.313370 -2.469704 1.334757 -2.143356 -1.081615 -0.234912 0.700087 1.056722 -1.738396 2.705589 1.533976 -0.365269 1.141151 3.556682 1 3 -3 0.639737 -2.772582 2.246685 Rho 0.4361416E+07 3,-3 2 3 -3 -0.777321 3.686514 -0.628733 Rho 0.4361414E+07 3,-3 3 3 -3 2.202293 3.454451 1.810287 Rho 0.4361416E+07 3,-3 4 3 -3 2.123920 0.506784 3.580257 Rho 0.4361414E+07 3,-3 5 3 -3 -2.280801 1.012103 -2.162502 Rho 0.4361416E+07 3,-3 6 3 -3 -3.256435 -3.411526 -0.400368 Rho 0.3191010E+03 3,-3 7 3 -3 1.932926 1.613251 -4.044968 Rho 0.3191779E+03 3,-3 8 3 -3 2.705850 5.056255 2.258947 Rho 0.3193281E+03 3,-3 9 3 -3 -0.114992 -0.990311 0.829843 Rho 0.3190530E+03 3,-3 10 3 -3 -1.307840 1.293216 2.217674 Rho 0.3192244E+03 3,-3 11 3 -3 -0.497230 1.384085 -0.507195 Rho 0.3190053E+03 3,-3 12 3 -3 1.376792 1.215680 1.489149 Rho 0.3189753E+03 3,-3 13 3 -3 0.363638 0.931986 4.228698 Rho 0.3187546E+03 3,-3 14 3 -3 -2.430787 -0.528877 -1.185462 Rho 0.3188622E+03 3,-3 15 3 -3 2.195562 -3.323859 -2.105865 Rho 0.3191400E+03 3,-3 16 3 -3 1.147450 -0.616716 -2.280947 Rho 0.3187989E+03 3,-3 17 3 -3 5.211285 0.496096 -0.107767 Rho 0.3191643E+03 3,-3 18 3 -3 2.799393 -1.062771 -0.118257 Rho 0.3188545E+03 3,-3 19 3 -3 -1.845142 3.537368 0.962373 Rho 0.3187591E+03 3,-3 20 3 -3 1.431419 -1.267478 3.134832 Rho 0.3187821E+03 3,-3 21 3 -3 0.770207 3.809202 0.638367 Rho 0.3187988E+03 3,-3 22 3 -3 -1.099432 5.346173 -1.017553 Rho 0.3193499E+03 3,-3 23 3 -3 2.645095 1.488564 -1.252570 Rho 0.3188195E+03 3,-3 24 3 -3 -3.102204 -1.224863 1.416106 Rho 0.3191163E+03 3,-3 25 3 -3 -0.464168 -2.727472 -1.056841 Rho 0.3189111E+03 3,-3 26 3 -3 -3.639552 0.951405 -3.248371 Rho 0.3193098E+03 3,-3 27 3 -3 -0.835516 0.976922 -3.240942 Rho 0.3190476E+03 3,-3 28 3 -3 2.309895 2.555545 3.445490 Rho 0.3189778E+03 3,-3 29 3 -3 1.608966 -3.238326 0.808669 Rho 0.3190746E+03 3,-3 30 3 -3 -2.318475 2.816301 -1.589135 Rho 0.3189434E+03 3,-3 31 3 -3 3.558314 0.346462 2.370508 Rho 0.3189563E+03 3,-3 32 3 -3 2.923137 0.265034 5.100844 Rho 0.3193486E+03 3,-3 33 3 -3 3.595495 2.780601 0.910350 Rho 0.3191140E+03 3,-3 34 3 -3 -1.090594 -3.147365 1.774905 Rho 0.3189896E+03 3,-3 35 3 -3 0.392475 3.193037 -2.015471 Rho 0.3189613E+03 3,-3 36 3 -3 0.983863 -4.024263 3.406888 Rho 0.3193105E+03 3,-3 37 3 -3 3.488899 0.628346 0.314449 Rho 0.3882647E+07 3,-3 38 3 -3 -2.136591 -2.128013 0.183266 Rho 0.3882645E+07 3,-3 39 3 -3 1.174386 1.313370 -2.469704 Rho 0.3882647E+07 3,-3 40 3 -3 1.334757 -2.143356 -1.081615 Rho 0.3882647E+07 3,-3 41 3 -3 -0.234912 0.700087 1.056722 Rho 0.4276094E+05 3,-3 42 3 -3 -1.738396 2.705589 1.533976 Rho 0.4222002E+00 3,-3 43 3 -3 -0.365269 1.141151 3.556682 Rho 0.4234471E+00 3,-3 44 3 -1 -2.281065 -1.286801 -0.533264 Rho 0.8314550E-01 |GRAD(Rho)| 0.4690690E-15 GRAD(Rho)x -0.2392622E-15 GRAD(Rho)y -0.3935451E-15 GRAD(Rho)z 0.8889103E-16 Laplacian 0.3756106E+00 (-1/4)Del**2(Rho)) -0.9390265E-01 Diamond 0.3963752E+00 Metallicity 0.2905850E+01 Ellipticity 0.2798319E-01 Gb(Abramov) 0.1080796E+00 Vb(Abramov) -0.1222566E+00 Hb(Abramov) -0.1417696E-01 Ex_ueg -0.2680217E-01 Ec_ueg -0.4315936E-02 Delta_ex -0.3557794E-01 Delta_ec 0.1178048E-01 Delta_et -0.1415668E+00 Pxc 0.6210049E+01 Qxc -0.3020076E+01 3,-1 45 3 +1 -0.907351 -2.011640 1.032853 Rho 0.2566307E-01 |GRAD(Rho)| 0.4785467E-16 GRAD(Rho)x 0.2484501E-16 GRAD(Rho)y 0.3999045E-16 GRAD(Rho)z 0.8576625E-17 Laplacian 0.1010770E+00 (-1/4)Del**2(Rho)) -0.2526926E-01 Diamond 0.1062055E-01 Metallicity 0.1522211E+01 Ellipticity -0.1866593E+01 Gb(Abramov) 0.2325703E-01 Vb(Abramov) -0.2124480E-01 Hb(Abramov) 0.2012228E-02 Ex_ueg -0.5590661E-02 Ec_ueg -0.1122156E-02 Delta_ex -0.6007103E-02 Delta_ec 0.1137644E-02 Delta_et -0.1022969E-01 Pxc 0.4982070E+01 Qxc -0.5280299E+01 3,+1 46 3 -1 -1.105788 -1.505898 0.516149 Rho 0.4469529E-01 |GRAD(Rho)| 0.1326503E-15 GRAD(Rho)x 0.1312181E-15 GRAD(Rho)y 0.8516069E-17 GRAD(Rho)z 0.1747556E-16 Laplacian 0.1896770E+00 (-1/4)Del**2(Rho)) -0.4741925E-01 Diamond 0.8889905E-01 Metallicity 0.2045038E+01 Ellipticity 0.3573223E-01 Gb(Abramov) 0.4777520E-01 Vb(Abramov) -0.4813114E-01 Hb(Abramov) -0.3559479E-03 Ex_ueg -0.1171478E-01 Ec_ueg -0.2123818E-02 Delta_ex -0.1549735E-01 Delta_ec 0.6223202E-02 Delta_et -0.6382246E-01 Pxc 0.5515905E+01 Qxc -0.2490254E+01 3,-1 47 3 -1 -2.354813 0.187142 -1.633865 Rho 0.1848455E+00 |GRAD(Rho)| 0.1616971E-15 GRAD(Rho)x -0.2966648E-16 GRAD(Rho)y -0.1226775E-15 GRAD(Rho)z 0.1010747E-15 Laplacian 0.7634957E+00 (-1/4)Del**2(Rho)) -0.1908739E+00 Diamond 0.1941224E+01 Metallicity 0.5413622E+01 Ellipticity 0.3366579E-01 Gb(Abramov) 0.2994692E+00 Vb(Abramov) -0.4080644E+00 Hb(Abramov) -0.1085952E+00 Ex_ueg -0.7776726E-01 Ec_ueg -0.1071032E-01 Delta_ex -0.8601735E-01 Delta_ec 0.1772521E-01 Delta_et -0.2399818E+00 Pxc 0.7260963E+01 Qxc -0.4852826E+01 3,-1 48 3 +1 -0.306494 1.213904 -1.874110 Rho 0.1884024E-01 |GRAD(Rho)| 0.1107541E-13 GRAD(Rho)x 0.8422381E-14 GRAD(Rho)y 0.2394230E-15 GRAD(Rho)z -0.7188238E-14 Laplacian 0.6595558E-01 (-1/4)Del**2(Rho)) -0.1648889E-01 Diamond 0.4501381E-02 Metallicity 0.1393710E+01 Ellipticity -0.1872627E+01 Gb(Abramov) 0.1482272E-01 Vb(Abramov) -0.1315654E-01 Hb(Abramov) 0.1666177E-02 Ex_ueg -0.3702544E-02 Ec_ueg -0.7838838E-03 Delta_ex -0.3593257E-02 Delta_ec 0.7387975E-03 Delta_et -0.6230595E-02 Pxc 0.4723333E+01 Qxc -0.4863656E+01 3,+1 49 3 +1 -0.599290 -0.648616 -1.563227 Rho 0.3032236E-02 |GRAD(Rho)| 0.3022856E-17 GRAD(Rho)x 0.2973007E-17 GRAD(Rho)y 0.5408268E-18 GRAD(Rho)z -0.7999069E-19 Laplacian 0.1157234E-01 (-1/4)Del**2(Rho)) -0.2893086E-02 Diamond 0.1037674E-03 Metallicity 0.3782657E+00 Ellipticity -0.1298052E+01 Gb(Abramov) 0.2111116E-02 Vb(Abramov) -0.1329147E-02 Hb(Abramov) 0.7819693E-03 Ex_ueg -0.3241424E-03 Ec_ueg -0.6324032E-04 Delta_ex -0.4626117E-03 Delta_ec 0.2541367E-03 Delta_et -0.1232533E-02 Pxc 0.5125565E+01 Qxc -0.1820326E+01 3,+1 50 3 -1 -3.015682 0.979163 -2.749634 Rho 0.2417385E+00 |GRAD(Rho)| 0.7722537E-15 GRAD(Rho)x 0.6061774E-15 GRAD(Rho)y -0.1514495E-17 GRAD(Rho)z 0.4784584E-15 Laplacian 0.8865981E+00 (-1/4)Del**2(Rho)) -0.2216495E+00 Diamond 0.3144511E+01 Metallicity 0.7291153E+01 Ellipticity 0.9309566E-02 Gb(Abramov) 0.4171131E+00 Vb(Abramov) -0.6125767E+00 Hb(Abramov) -0.1954636E+00 Ex_ueg -0.1112192E+00 Ec_ueg -0.1455938E-01 Delta_ex -0.1072238E+00 Delta_ec 0.1936968E-01 Delta_et -0.2675920E+00 Pxc 0.7639005E+01 Qxc -0.5535652E+01 3,-1 51 3 -1 -2.652870 -1.641695 0.846351 Rho 0.2030970E+00 |GRAD(Rho)| 0.1182147E-10 GRAD(Rho)x -0.6280982E-11 GRAD(Rho)y 0.5926971E-11 GRAD(Rho)z 0.8072630E-11 Laplacian 0.7944179E+00 (-1/4)Del**2(Rho)) -0.1986045E+00 Diamond 0.2276217E+01 Metallicity 0.6086999E+01 Ellipticity 0.2103278E-01 Gb(Abramov) 0.3338872E+00 Vb(Abramov) -0.4691699E+00 Hb(Abramov) -0.1352827E+00 Ex_ueg -0.8817044E-01 Ec_ueg -0.1192553E-01 Delta_ex -0.9177735E-01 Delta_ec 0.1814289E-01 Delta_et -0.2480613E+00 Pxc 0.7393416E+01 Qxc -0.5058584E+01 3,-1 52 3 -1 -2.286989 1.971596 -1.846835 Rho 0.1616705E+00 |GRAD(Rho)| 0.1643271E-13 GRAD(Rho)x 0.1105781E-13 GRAD(Rho)y 0.5746515E-14 GRAD(Rho)z 0.1071151E-13 Laplacian 0.6283493E+00 (-1/4)Del**2(Rho)) -0.1570873E+00 Diamond 0.1394319E+01 Metallicity 0.5261745E+01 Ellipticity 0.5168392E-01 Gb(Abramov) 0.2424838E+00 Vb(Abramov) -0.3278802E+00 Hb(Abramov) -0.8539646E-01 Ex_ueg -0.6504680E-01 Ec_ueg -0.9194729E-02 Delta_ex -0.6874904E-01 Delta_ec 0.1566266E-01 Delta_et -0.2106258E+00 Pxc 0.7074357E+01 Qxc -0.4389360E+01 3,-1 53 3 +1 -1.435284 1.958210 -1.118548 Rho 0.2917667E-01 |GRAD(Rho)| 0.5525383E-15 GRAD(Rho)x 0.4920498E-15 GRAD(Rho)y -0.8364729E-16 GRAD(Rho)z -0.2370415E-15 Laplacian 0.1161424E+00 (-1/4)Del**2(Rho)) -0.2903561E-01 Diamond 0.1907445E-01 Metallicity 0.1640647E+01 Ellipticity -0.5594609E+01 Gb(Abramov) 0.2729660E-01 Vb(Abramov) -0.2555760E-01 Hb(Abramov) 0.1739006E-02 Ex_ueg -0.6633856E-02 Ec_ueg -0.1301218E-02 Delta_ex -0.7554193E-02 Delta_ec 0.2015352E-02 Delta_et -0.1846082E-01 Pxc 0.5098191E+01 Qxc -0.3748324E+01 3,+1 54 3 +1 -1.255589 -0.166765 -0.172061 Rho 0.8617873E-02 |GRAD(Rho)| 0.3684123E-14 GRAD(Rho)x 0.2424687E-14 GRAD(Rho)y -0.2225185E-14 GRAD(Rho)z 0.1655961E-14 Laplacian 0.3276079E-01 (-1/4)Del**2(Rho)) -0.8190197E-02 Diamond 0.9027120E-03 Metallicity 0.7619485E+00 Ellipticity -0.1506439E+01 Gb(Abramov) 0.6500216E-02 Vb(Abramov) -0.4810235E-02 Hb(Abramov) 0.1689981E-02 Ex_ueg -0.1304924E-02 Ec_ueg -0.3057799E-03 Delta_ex -0.1507990E-02 Delta_ec 0.4798562E-03 Delta_et -0.3266236E-02 Pxc 0.4267527E+01 Qxc -0.3142588E+01 3,+1 55 3 +3 -0.518717 -0.546693 -1.278575 Rho 0.2984208E-02 |GRAD(Rho)| 0.5121897E-16 GRAD(Rho)x 0.6176616E-17 GRAD(Rho)y 0.2415105E-16 GRAD(Rho)z 0.4474326E-16 Laplacian 0.1144235E-01 (-1/4)Del**2(Rho)) -0.2860587E-02 Diamond 0.6853119E-04 Metallicity 0.3725175E+00 Ellipticity -0.6745275E+00 Gb(Abramov) 0.2084661E-02 Vb(Abramov) -0.1308735E-02 Hb(Abramov) 0.7759258E-03 Ex_ueg -0.3173150E-03 Ec_ueg -0.6122397E-04 Delta_ex -0.3970086E-03 Delta_ec 0.1460578E-03 Delta_et -0.7676969E-03 Pxc 0.5182855E+01 Qxc -0.2718161E+01 3,+3 56 3 -1 -1.372567 1.195310 -1.285849 Rho 0.4029732E-01 |GRAD(Rho)| 0.2066269E-15 GRAD(Rho)x 0.1641493E-15 GRAD(Rho)y 0.3627006E-16 GRAD(Rho)z 0.1201423E-15 Laplacian 0.1583054E+00 (-1/4)Del**2(Rho)) -0.3957635E-01 Diamond 0.5796483E-01 Metallicity 0.2061790E+01 Ellipticity 0.6170581E-01 Gb(Abramov) 0.3998392E-01 Vb(Abramov) -0.4039149E-01 Hb(Abramov) -0.4075698E-03 Ex_ueg -0.1020360E-01 Ec_ueg -0.1886020E-02 Delta_ex -0.1223854E-01 Delta_ec 0.4530701E-02 Delta_et -0.4509412E-01 Pxc 0.5410121E+01 Qxc -0.2701247E+01 3,-1 57 3 -1 -1.498184 0.993439 -2.736114 Rho 0.2040803E+00 |GRAD(Rho)| 0.3798082E-15 GRAD(Rho)x 0.2802663E-15 GRAD(Rho)y -0.4879249E-16 GRAD(Rho)z -0.2516433E-15 Laplacian 0.7597496E+00 (-1/4)Del**2(Rho)) -0.1899374E+00 Diamond 0.2241149E+01 Metallicity 0.6416199E+01 Ellipticity 0.3705762E-01 Gb(Abramov) 0.3297376E+00 Vb(Abramov) -0.4695378E+00 Hb(Abramov) -0.1398002E+00 Ex_ueg -0.8874008E-01 Ec_ueg -0.1199153E-01 Delta_ex -0.8822201E-01 Delta_ec 0.1793644E-01 Delta_et -0.2475300E+00 Pxc 0.7400227E+01 Qxc -0.4918590E+01 3,-1 58 3 -1 -1.580870 3.207348 -1.131938 Rho 0.1199951E+00 |GRAD(Rho)| 0.4005986E-15 GRAD(Rho)x 0.3779800E-16 GRAD(Rho)y -0.2640778E-15 GRAD(Rho)z -0.2988536E-15 Laplacian 0.4546083E+00 (-1/4)Del**2(Rho)) -0.1136521E+00 Diamond 0.7145090E+00 Metallicity 0.4425020E+01 Ellipticity 0.1432737E-01 Gb(Abramov) 0.1595868E+00 Vb(Abramov) -0.2055216E+00 Hb(Abramov) -0.4593476E-01 Ex_ueg -0.4371226E-01 Ec_ueg -0.6551459E-02 Delta_ex -0.4638572E-01 Delta_ec 0.1240969E-01 Delta_et -0.1598945E+00 Pxc 0.6672141E+01 Qxc -0.3737864E+01 3,-1 59 3 -1 -1.760787 2.889505 1.405174 Rho 0.3001946E+00 |GRAD(Rho)| 0.1258509E-14 GRAD(Rho)x 0.9207527E-15 GRAD(Rho)y -0.6959049E-15 GRAD(Rho)z 0.5017717E-15 Laplacian -0.1478314E+01 (-1/4)Del**2(Rho)) 0.3695785E+00 Diamond 0.4997129E+01 Metallicity -0.6273615E+01 Ellipticity 0.9973644E-03 Gb(Abramov) 0.1400465E+00 Vb(Abramov) -0.6496716E+00 Hb(Abramov) -0.5096251E+00 Ex_ueg -0.1484530E+00 Ec_ueg -0.1869950E-01 Delta_ex 0.1427203E+00 Delta_ec 0.5308594E-01 Delta_et -0.1222205E+01 Pxc 0.7938874E+01 Qxc 0.2688477E+01 3,-1 60 3 -1 -1.577108 2.250517 1.730093 Rho 0.5632880E-01 |GRAD(Rho)| 0.3192945E-14 GRAD(Rho)x -0.3234663E-15 GRAD(Rho)y 0.3080977E-14 GRAD(Rho)z 0.7732070E-15 Laplacian 0.1367882E+00 (-1/4)Del**2(Rho)) -0.3419704E-01 Diamond 0.1329529E+00 Metallicity 0.4169802E+01 Ellipticity 0.1377710E-01 Gb(Abramov) 0.4656384E-01 Vb(Abramov) -0.5893065E-01 Hb(Abramov) -0.1236680E-01 Ex_ueg -0.1594749E-01 Ec_ueg -0.2767582E-02 Delta_ex -0.1349428E-01 Delta_ec 0.7447182E-02 Delta_et -0.8231457E-01 Pxc 0.5762248E+01 Qxc -0.1811998E+01 3,-1 61 3 -1 -0.151774 3.404056 -1.361450 Rho 0.1675475E+00 |GRAD(Rho)| 0.4686041E-15 GRAD(Rho)x -0.1660456E-15 GRAD(Rho)y -0.1059537E-15 GRAD(Rho)z 0.4251970E-15 Laplacian 0.6704371E+00 (-1/4)Del**2(Rho)) -0.1676093E+00 Diamond 0.1537928E+01 Metallicity 0.5233817E+01 Ellipticity 0.5040553E-01 Gb(Abramov) 0.2579456E+00 Vb(Abramov) -0.3482819E+00 Hb(Abramov) -0.9033629E-01 Ex_ueg -0.6821855E-01 Ec_ueg -0.9576115E-02 Delta_ex -0.7387979E-01 Delta_ec 0.1633033E-01 Delta_et -0.2199495E+00 Pxc 0.7123823E+01 Qxc -0.4524084E+01 3,-1 62 3 +1 -1.083130 2.190419 0.734363 Rho 0.1288690E-01 |GRAD(Rho)| 0.1503023E-16 GRAD(Rho)x 0.1694913E-17 GRAD(Rho)y -0.1086034E-16 GRAD(Rho)z 0.1025125E-16 Laplacian 0.5131442E-01 (-1/4)Del**2(Rho)) -0.1282861E-01 Diamond 0.2181308E-02 Metallicity 0.9512354E+00 Ellipticity -0.1492629E+01 Gb(Abramov) 0.1058624E-01 Vb(Abramov) -0.8343876E-02 Hb(Abramov) 0.2242365E-02 Ex_ueg -0.2231429E-02 Ec_ueg -0.5006648E-03 Delta_ex -0.2547699E-02 Delta_ec 0.6256110E-03 Delta_et -0.4803132E-02 Pxc 0.4456933E+01 Qxc -0.4072338E+01 3,+1 63 3 -1 -1.331300 3.576083 0.223206 Rho 0.1519424E+00 |GRAD(Rho)| 0.3364467E-15 GRAD(Rho)x 0.2141299E-16 GRAD(Rho)y -0.1123098E-15 GRAD(Rho)z 0.3164244E-15 Laplacian 0.5979057E+00 (-1/4)Del**2(Rho)) -0.1494764E+00 Diamond 0.1238843E+01 Metallicity 0.4986304E+01 Ellipticity 0.8573994E-01 Gb(Abramov) 0.2238734E+00 Vb(Abramov) -0.2982704E+00 Hb(Abramov) -0.7439701E-01 Ex_ueg -0.5988118E-01 Ec_ueg -0.8567971E-02 Delta_ex -0.6449446E-01 Delta_ec 0.1526716E-01 Delta_et -0.2039390E+00 Pxc 0.6988957E+01 Qxc -0.4224391E+01 3,-1 64 3 +1 0.380869 2.301454 0.643217 Rho 0.1004601E-01 |GRAD(Rho)| 0.3093457E-16 GRAD(Rho)x 0.3040864E-16 GRAD(Rho)y -0.5173704E-17 GRAD(Rho)z -0.2344117E-17 Laplacian 0.3916565E-01 (-1/4)Del**2(Rho)) -0.9791413E-02 Diamond 0.1247233E-02 Metallicity 0.8229324E+00 Ellipticity -0.1460696E+01 Gb(Abramov) 0.7870554E-02 Vb(Abramov) -0.5949695E-02 Hb(Abramov) 0.1920859E-02 Ex_ueg -0.1600947E-02 Ec_ueg -0.3701347E-03 Delta_ex -0.1843799E-02 Delta_ec 0.5194345E-03 Delta_et -0.3718657E-02 Pxc 0.4325308E+01 Qxc -0.3549628E+01 3,+1 65 3 +1 0.353100 0.989342 2.672125 Rho 0.1322354E-01 |GRAD(Rho)| 0.4725692E-14 GRAD(Rho)x 0.3507583E-14 GRAD(Rho)y -0.9560638E-16 GRAD(Rho)z -0.3165420E-14 Laplacian 0.5246678E-01 (-1/4)Del**2(Rho)) -0.1311669E-01 Diamond 0.2277021E-02 Metallicity 0.9711995E+00 Ellipticity -0.1490424E+01 Gb(Abramov) 0.1086762E-01 Vb(Abramov) -0.8618540E-02 Hb(Abramov) 0.2249077E-02 Ex_ueg -0.2309487E-02 Ec_ueg -0.5163425E-03 Delta_ex -0.2614396E-02 Delta_ec 0.6243594E-03 Delta_et -0.4834773E-02 Pxc 0.4472780E+01 Qxc -0.4187326E+01 3,+1 66 3 -1 -0.754582 0.988045 1.619431 Rho 0.1914849E+00 |GRAD(Rho)| 0.2023591E-12 GRAD(Rho)x 0.1132150E-12 GRAD(Rho)y -0.8494420E-13 GRAD(Rho)z -0.1446239E-12 Laplacian 0.4944472E+00 (-1/4)Del**2(Rho)) -0.1236118E+00 Diamond 0.1319547E+01 Metallicity 0.8865793E+01 Ellipticity 0.1367818E-01 Gb(Abramov) 0.2650606E+00 Vb(Abramov) -0.4065095E+00 Hb(Abramov) -0.1414488E+00 Ex_ueg -0.8151381E-01 Ec_ueg -0.1115022E-01 Delta_ex -0.5626578E-01 Delta_ec 0.1147148E-01 Delta_et -0.1561190E+00 Pxc 0.7310513E+01 Qxc -0.4904842E+01 3,-1 67 3 -1 -0.642295 1.178798 3.107237 Rho 0.5430420E-01 |GRAD(Rho)| 0.1952704E-13 GRAD(Rho)x 0.1543700E-13 GRAD(Rho)y -0.3896119E-14 GRAD(Rho)z 0.1130594E-13 Laplacian 0.1344251E+00 (-1/4)Del**2(Rho)) -0.3360627E-01 Diamond 0.1221313E+00 Metallicity 0.3991982E+01 Ellipticity 0.8470970E-02 Gb(Abramov) 0.4476345E-01 Vb(Abramov) -0.5592063E-01 Hb(Abramov) -0.1115718E-01 Ex_ueg -0.1518785E-01 Ec_ueg -0.2654140E-02 Delta_ex -0.1306976E-01 Delta_ec 0.7166074E-02 Delta_et -0.7833471E-01 Pxc 0.5722324E+01 Qxc -0.1823838E+01 3,-1 68 3 -1 -0.952273 4.583238 -0.839860 Rho 0.2452857E+00 |GRAD(Rho)| 0.7493192E-15 GRAD(Rho)x 0.2152954E-15 GRAD(Rho)y -0.6871673E-15 GRAD(Rho)z 0.2071910E-15 Laplacian 0.9184466E+00 (-1/4)Del**2(Rho)) -0.2296117E+00 Diamond 0.3298364E+01 Metallicity 0.7211289E+01 Ellipticity 0.6716215E-02 Gb(Abramov) 0.4290404E+00 Vb(Abramov) -0.6284692E+00 Hb(Abramov) -0.1994288E+00 Ex_ueg -0.1134004E+00 Ec_ueg -0.1480526E-01 Delta_ex -0.1114137E+00 Delta_ec 0.1982352E-01 Delta_et -0.2732580E+00 Pxc 0.7659467E+01 Qxc -0.5620278E+01 3,-1 69 3 +1 1.449381 -0.286442 0.566265 Rho 0.6901035E-02 |GRAD(Rho)| 0.9118791E-17 GRAD(Rho)x -0.8878919E-17 GRAD(Rho)y -0.8730085E-18 GRAD(Rho)z 0.1885469E-17 Laplacian 0.2565815E-01 (-1/4)Del**2(Rho)) -0.6414538E-02 Diamond 0.4978281E-03 Metallicity 0.6718075E+00 Ellipticity -0.1389133E+01 Gb(Abramov) 0.4994581E-02 Vb(Abramov) -0.3574624E-02 Hb(Abramov) 0.1419957E-02 Ex_ueg -0.9703700E-03 Ec_ueg -0.2296176E-03 Delta_ex -0.1102559E-02 Delta_ec 0.3490674E-03 Delta_et -0.2263990E-02 Pxc 0.4226027E+01 Qxc -0.3158584E+01 3,+1 70 3 +1 0.830613 -0.304471 2.060187 Rho 0.1011744E-01 |GRAD(Rho)| 0.1149802E-16 GRAD(Rho)x -0.2072478E-17 GRAD(Rho)y 0.9773331E-17 GRAD(Rho)z 0.5691333E-17 Laplacian 0.3910326E-01 (-1/4)Del**2(Rho)) -0.9775815E-02 Diamond 0.1243746E-02 Metallicity 0.8340353E+00 Ellipticity -0.1464805E+01 Gb(Abramov) 0.7876106E-02 Vb(Abramov) -0.5976396E-02 Hb(Abramov) 0.1899709E-02 Ex_ueg -0.1616140E-02 Ec_ueg -0.3733761E-03 Delta_ex -0.1839304E-02 Delta_ec 0.5097839E-03 Delta_et -0.3663220E-02 Pxc 0.4328452E+01 Qxc -0.3608007E+01 3,+1 71 3 -1 -0.176019 -0.115706 0.953345 Rho 0.1808179E+00 |GRAD(Rho)| 0.5696260E-12 GRAD(Rho)x -0.4249986E-13 GRAD(Rho)y 0.5648190E-12 GRAD(Rho)z 0.6039006E-13 Laplacian 0.4774861E+00 (-1/4)Del**2(Rho)) -0.1193715E+00 Diamond 0.1227301E+01 Metallicity 0.8344263E+01 Ellipticity 0.7485306E-02 Gb(Abramov) 0.2455922E+00 Vb(Abramov) -0.3718130E+00 Hb(Abramov) -0.1262207E+00 Ex_ueg -0.7551620E-01 Ec_ueg -0.1044470E-01 Delta_ex -0.5384407E-01 Delta_ec 0.1177468E-01 Delta_et -0.1610386E+00 Pxc 0.7230099E+01 Qxc -0.4572868E+01 3,-1 72 3 -1 -0.339835 -1.824228 -0.093670 Rho 0.2538845E-01 |GRAD(Rho)| 0.8906096E-16 GRAD(Rho)x 0.4491955E-17 GRAD(Rho)y 0.8247966E-16 GRAD(Rho)z 0.3329839E-16 Laplacian 0.1009541E+00 (-1/4)Del**2(Rho)) -0.2523853E-01 Diamond 0.1686915E-01 Metallicity 0.1496981E+01 Ellipticity 0.3213095E+01 Gb(Abramov) 0.2312262E-01 Vb(Abramov) -0.2100671E-01 Hb(Abramov) 0.2115912E-02 Ex_ueg -0.5511038E-02 Ec_ueg -0.1108292E-02 Delta_ex -0.6664574E-02 Delta_ec 0.2355595E-02 Delta_et -0.2072980E-01 Pxc 0.4972550E+01 Qxc -0.2829253E+01 3,-1 73 3 +1 -0.584520 -1.839619 -0.030195 Rho 0.2513045E-01 |GRAD(Rho)| 0.1229682E-16 GRAD(Rho)x 0.1079877E-16 GRAD(Rho)y 0.4988708E-17 GRAD(Rho)z 0.3116252E-17 Laplacian 0.9270727E-01 (-1/4)Del**2(Rho)) -0.2317682E-01 Diamond 0.1154628E-01 Metallicity 0.1602629E+01 Ellipticity -0.3419187E+01 Gb(Abramov) 0.2164185E-01 Vb(Abramov) -0.2010689E-01 Hb(Abramov) 0.1534965E-02 Ex_ueg -0.5436491E-02 Ec_ueg -0.1095284E-02 Delta_ex -0.5702082E-02 Delta_ec 0.1444927E-02 Delta_et -0.1280015E-01 Pxc 0.4963544E+01 Qxc -0.3946277E+01 3,+1 74 3 -1 -0.628551 2.493512 -0.533819 Rho 0.5733465E-01 |GRAD(Rho)| 0.6864643E-15 GRAD(Rho)x -0.7989437E-16 GRAD(Rho)y 0.6764473E-15 GRAD(Rho)z -0.8525958E-16 Laplacian 0.2264103E+00 (-1/4)Del**2(Rho)) -0.5660258E-01 Diamond 0.1351464E+00 Metallicity 0.2594650E+01 Ellipticity 0.2666448E-01 Gb(Abramov) 0.6221237E-01 Vb(Abramov) -0.6782216E-01 Hb(Abramov) -0.5609791E-02 Ex_ueg -0.1632831E-01 Ec_ueg -0.2824146E-02 Delta_ex -0.1918184E-01 Delta_ec 0.6540255E-02 Delta_et -0.7136482E-01 Pxc 0.5781682E+01 Qxc -0.2932889E+01 3,-1 75 3 +1 0.403792 -0.174242 -0.715016 Rho 0.5572086E-02 |GRAD(Rho)| 0.3401652E-17 GRAD(Rho)x -0.8652444E-19 GRAD(Rho)y 0.3160542E-17 GRAD(Rho)z 0.1254880E-17 Laplacian 0.1976154E-01 (-1/4)Del**2(Rho)) -0.4940386E-02 Diamond 0.2887657E-03 Metallicity 0.6106917E+00 Ellipticity -0.1365388E+01 Gb(Abramov) 0.3796433E-02 Vb(Abramov) -0.2652479E-02 Hb(Abramov) 0.1143953E-02 Ex_ueg -0.7295843E-03 Ec_ueg -0.1716145E-03 Delta_ex -0.8070716E-03 Delta_ec 0.2716649E-03 Delta_et -0.1663945E-02 Pxc 0.4251298E+01 Qxc -0.2970835E+01 3,+1 76 3 -1 -0.289403 -2.962276 1.985037 Rho 0.1902318E+00 |GRAD(Rho)| 0.3267523E-15 GRAD(Rho)x 0.2174910E-15 GRAD(Rho)y 0.8611276E-16 GRAD(Rho)z 0.2281432E-15 Laplacian 0.7163370E+00 (-1/4)Del**2(Rho)) -0.1790842E+00 Diamond 0.1929085E+01 Metallicity 0.6052957E+01 Ellipticity 0.5269329E-01 Gb(Abramov) 0.3000544E+00 Vb(Abramov) -0.4210245E+00 Hb(Abramov) -0.1209701E+00 Ex_ueg -0.8080331E-01 Ec_ueg -0.1106700E-01 Delta_ex -0.8161464E-01 Delta_ec 0.1706888E-01 Delta_et -0.2335541E+00 Pxc 0.7301285E+01 Qxc -0.4781489E+01 3,-1 77 3 -1 0.372487 -2.447333 -1.057449 Rho 0.1630809E+00 |GRAD(Rho)| 0.5180719E-15 GRAD(Rho)x -0.5150502E-15 GRAD(Rho)y 0.5257025E-16 GRAD(Rho)z 0.1892272E-16 Laplacian 0.6379663E+00 (-1/4)Del**2(Rho)) -0.1594916E+00 Diamond 0.1439420E+01 Metallicity 0.5257998E+01 Ellipticity 0.2333284E-01 Gb(Abramov) 0.2460955E+00 Vb(Abramov) -0.3326993E+00 Hb(Abramov) -0.8660388E-01 Ex_ueg -0.6580452E-01 Ec_ueg -0.9286070E-02 Delta_ex -0.7003143E-01 Delta_ec 0.1600912E-01 Delta_et -0.2158879E+00 Pxc 0.7086370E+01 Qxc -0.4374470E+01 3,-1 78 3 -1 0.331006 1.338041 -1.439058 Rho 0.3045376E-01 |GRAD(Rho)| 0.8036687E-16 GRAD(Rho)x 0.3551143E-16 GRAD(Rho)y 0.1997509E-17 GRAD(Rho)z -0.7206789E-16 Laplacian 0.1210648E+00 (-1/4)Del**2(Rho)) -0.3026620E-01 Diamond 0.3268443E-01 Metallicity 0.1690429E+01 Ellipticity 0.1010095E+00 Gb(Abramov) 0.2870461E-01 Vb(Abramov) -0.2714302E-01 Hb(Abramov) 0.1561591E-02 Ex_ueg -0.7023813E-02 Ec_ueg -0.1367036E-02 Delta_ex -0.8933440E-02 Delta_ec 0.3828620E-02 Delta_et -0.3530240E-01 Pxc 0.5137986E+01 Qxc -0.2333332E+01 3,-1 79 3 +1 1.245500 1.260235 -0.256831 Rho 0.6573020E-02 |GRAD(Rho)| 0.1382678E-16 GRAD(Rho)x -0.1104633E-16 GRAD(Rho)y -0.1467343E-17 GRAD(Rho)z 0.8185681E-17 Laplacian 0.2415466E-01 (-1/4)Del**2(Rho)) -0.6038666E-02 Diamond 0.4276601E-03 Metallicity 0.6579916E+00 Ellipticity -0.1358478E+01 Gb(Abramov) 0.4688009E-02 Vb(Abramov) -0.3337353E-02 Hb(Abramov) 0.1350657E-02 Ex_ueg -0.9093651E-03 Ec_ueg -0.2152219E-03 Delta_ex -0.1018363E-02 Delta_ec 0.3159632E-03 Delta_et -0.2034962E-02 Pxc 0.4225244E+01 Qxc -0.3223042E+01 3,+1 80 3 -1 -0.201461 1.094719 3.704227 Rho 0.3016904E+00 |GRAD(Rho)| 0.7592665E-13 GRAD(Rho)x 0.1480905E-14 GRAD(Rho)y -0.7448268E-13 GRAD(Rho)z 0.1466268E-13 Laplacian -0.1491968E+01 (-1/4)Del**2(Rho)) 0.3729921E+00 Diamond 0.5049053E+01 Metallicity -0.6267910E+01 Ellipticity 0.1879850E-02 Gb(Abramov) 0.1409854E+00 Vb(Abramov) -0.6549629E+00 Hb(Abramov) -0.5139775E+00 Ex_ueg -0.1494401E+00 Ec_ueg -0.1880791E-01 Delta_ex 0.1444194E+00 Delta_ec 0.5340238E-01 Delta_et -0.1232590E+01 Pxc 0.7945597E+01 Qxc 0.2704362E+01 3,-1 81 3 +1 2.147636 -0.057422 -1.172611 Rho 0.1067225E-01 |GRAD(Rho)| 0.2182662E-13 GRAD(Rho)x -0.1394310E-13 GRAD(Rho)y -0.6647523E-14 GRAD(Rho)z -0.1542082E-13 Laplacian 0.4521647E-01 (-1/4)Del**2(Rho)) -0.1130412E-01 Diamond 0.1399271E-02 Metallicity 0.7883941E+00 Ellipticity -0.1282049E+01 Gb(Abramov) 0.9021428E-02 Vb(Abramov) -0.6738739E-02 Hb(Abramov) 0.2282689E-02 Ex_ueg -0.1735375E-02 Ec_ueg -0.3986278E-03 Delta_ex -0.2106671E-02 Delta_ec 0.5002563E-03 Delta_et -0.3714939E-02 Pxc 0.4353371E+01 Qxc -0.4211183E+01 3,+1 82 3 +1 0.238001 1.886581 -1.475065 Rho 0.2460777E-01 |GRAD(Rho)| 0.3386614E-14 GRAD(Rho)x 0.1475800E-14 GRAD(Rho)y -0.2800284E-14 GRAD(Rho)z -0.1203984E-14 Laplacian 0.9323074E-01 (-1/4)Del**2(Rho)) -0.2330769E-01 Diamond 0.8912788E-02 Metallicity 0.1538773E+01 Ellipticity -0.1823225E+01 Gb(Abramov) 0.2151600E-01 Vb(Abramov) -0.1972431E-01 Hb(Abramov) 0.1791688E-02 Ex_ueg -0.5286256E-02 Ec_ueg -0.1068987E-02 Delta_ex -0.5439243E-02 Delta_ec 0.9843390E-03 Delta_et -0.8800602E-02 Pxc 0.4945110E+01 Qxc -0.5525782E+01 3,+1 83 3 +3 1.815265 -0.774241 1.412675 Rho 0.3891284E-02 |GRAD(Rho)| 0.3658108E-11 GRAD(Rho)x -0.1973952E-11 GRAD(Rho)y 0.5830426E-12 GRAD(Rho)z 0.3024125E-11 Laplacian 0.1522451E-01 (-1/4)Del**2(Rho)) -0.3806128E-02 Diamond 0.1297707E-03 Metallicity 0.4357371E+00 Ellipticity -0.3027671E+00 Gb(Abramov) 0.2813831E-02 Vb(Abramov) -0.1821533E-02 Hb(Abramov) 0.9922976E-03 Ex_ueg -0.4520387E-03 Ec_ueg -0.9951675E-04 Delta_ex -0.5613476E-03 Delta_ec 0.1927995E-03 Delta_et -0.1089142E-02 Pxc 0.4542338E+01 Qxc -0.2911561E+01 3,+3 84 3 +3 1.202211 0.190174 -0.374439 Rho 0.3809249E-02 |GRAD(Rho)| 0.3723397E-13 GRAD(Rho)x 0.3693292E-13 GRAD(Rho)y 0.2807081E-14 GRAD(Rho)z 0.3801139E-14 Laplacian 0.1337020E-01 (-1/4)Del**2(Rho)) -0.3342551E-02 Diamond 0.6680420E-04 Metallicity 0.4788588E+00 Ellipticity -0.2638789E+00 Gb(Abramov) 0.2495135E-02 Vb(Abramov) -0.1647720E-02 Hb(Abramov) 0.8474153E-03 Ex_ueg -0.4393773E-03 Ec_ueg -0.9603544E-04 Delta_ex -0.4318578E-03 Delta_ec 0.6465286E-04 Delta_et -0.4706295E-03 Pxc 0.4575158E+01 Qxc -0.6679640E+01 3,+3 85 3 -1 1.235246 -1.325319 -1.709967 Rho 0.1346473E+00 |GRAD(Rho)| 0.2756061E-15 GRAD(Rho)x 0.4946672E-16 GRAD(Rho)y -0.2507489E-15 GRAD(Rho)z 0.1031347E-15 Laplacian 0.5717443E+00 (-1/4)Del**2(Rho)) -0.1429361E+00 Diamond 0.1048471E+01 Metallicity 0.4263250E+01 Ellipticity 0.1502581E-01 Gb(Abramov) 0.1968527E+00 Vb(Abramov) -0.2507694E+00 Hb(Abramov) -0.5391667E-01 Ex_ueg -0.5097008E-01 Ec_ueg -0.7468087E-02 Delta_ex -0.6015717E-01 Delta_ec 0.1552688E-01 Delta_et -0.2046563E+00 Pxc 0.6825051E+01 Qxc -0.3874388E+01 3,-1 86 3 +1 2.108514 -0.975747 1.524146 Rho 0.4018949E-02 |GRAD(Rho)| 0.2260207E-15 GRAD(Rho)x 0.1025455E-15 GRAD(Rho)y 0.1724370E-15 GRAD(Rho)z 0.1040926E-15 Laplacian 0.1543218E-01 (-1/4)Del**2(Rho)) -0.3858045E-02 Diamond 0.2328282E-03 Metallicity 0.4536351E+00 Ellipticity -0.1805069E+01 Gb(Abramov) 0.2863721E-02 Vb(Abramov) -0.1869397E-02 Hb(Abramov) 0.9943243E-03 Ex_ueg -0.4719200E-03 Ec_ueg -0.1049416E-03 Delta_ex -0.6919734E-03 Delta_ec 0.4071109E-03 Delta_et -0.2102734E-02 Pxc 0.4496978E+01 Qxc -0.1699717E+01 3,+1 87 3 -1 0.825208 -3.449351 2.874174 Rho 0.2412227E+00 |GRAD(Rho)| 0.1294196E-14 GRAD(Rho)x 0.2027187E-15 GRAD(Rho)y -0.1025872E-14 GRAD(Rho)z 0.7625194E-15 Laplacian 0.8923175E+00 (-1/4)Del**2(Rho)) -0.2230794E+00 Diamond 0.3153233E+01 Metallicity 0.7218676E+01 Ellipticity 0.1905319E-02 Gb(Abramov) 0.4171092E+00 Vb(Abramov) -0.6111390E+00 Hb(Abramov) -0.1940298E+00 Ex_ueg -0.1109029E+00 Ec_ueg -0.1452368E-01 Delta_ex -0.1078370E+00 Delta_ec 0.1947464E-01 Delta_et -0.2688804E+00 Pxc 0.7636003E+01 Qxc -0.5537303E+01 3,-1 88 3 -1 0.537920 0.950650 1.263912 Rho 0.1665089E+00 |GRAD(Rho)| 0.2376207E-15 GRAD(Rho)x 0.2185752E-15 GRAD(Rho)y -0.8673617E-17 GRAD(Rho)z 0.9280771E-16 Laplacian 0.4227859E+00 (-1/4)Del**2(Rho)) -0.1056965E+00 Diamond 0.9895739E+00 Metallicity 0.8214004E+01 Ellipticity 0.1246316E-02 Gb(Abramov) 0.2151629E+00 Vb(Abramov) -0.3246292E+00 Hb(Abramov) -0.1094664E+00 Ex_ueg -0.6765525E-01 Ec_ueg -0.9508563E-02 Delta_ex -0.4675076E-01 Delta_ec 0.1073174E-01 Delta_et -0.1455705E+00 Pxc 0.7115192E+01 Qxc -0.4356307E+01 3,-1 89 3 -1 0.112853 1.140964 -2.852898 Rho 0.7546941E-01 |GRAD(Rho)| 0.6332882E-16 GRAD(Rho)x 0.4895850E-16 GRAD(Rho)y -0.2998158E-16 GRAD(Rho)z 0.2673405E-16 Laplacian 0.3270202E+00 (-1/4)Del**2(Rho)) -0.8175505E-01 Diamond 0.3023075E+00 Metallicity 0.2840034E+01 Ellipticity 0.3616319E-01 Gb(Abramov) 0.9320122E-01 Vb(Abramov) -0.1046474E+00 Hb(Abramov) -0.1144617E-01 Ex_ueg -0.2355481E-01 Ec_ueg -0.3864864E-02 Delta_ex -0.3020678E-01 Delta_ec 0.1025362E-01 Delta_et -0.1203252E+00 Pxc 0.6094604E+01 Qxc -0.2945964E+01 3,-1 90 3 -1 1.157733 -3.017833 1.467543 Rho 0.2087258E+00 |GRAD(Rho)| 0.2183511E-12 GRAD(Rho)x -0.1182209E-12 GRAD(Rho)y 0.4825140E-13 GRAD(Rho)z 0.1771238E-12 Laplacian 0.7691619E+00 (-1/4)Del**2(Rho)) -0.1922905E+00 Diamond 0.2332675E+01 Metallicity 0.6579944E+01 Ellipticity 0.4380031E-01 Gb(Abramov) 0.3390704E+00 Vb(Abramov) -0.4858503E+00 Hb(Abramov) -0.1467799E+00 Ex_ueg -0.9144357E-01 Ec_ueg -0.1230407E-01 Delta_ex -0.8984029E-01 Delta_ec 0.1806416E-01 Delta_et -0.2497999E+00 Pxc 0.7431978E+01 Qxc -0.4973399E+01 3,-1 91 3 -1 0.568684 -1.539733 -0.113597 Rho 0.2530422E-01 |GRAD(Rho)| 0.7481421E-16 GRAD(Rho)x 0.3656075E-16 GRAD(Rho)y -0.2834347E-16 GRAD(Rho)z -0.5879732E-16 Laplacian 0.9953897E-01 (-1/4)Del**2(Rho)) -0.2488474E-01 Diamond 0.1947759E-01 Metallicity 0.1509877E+01 Ellipticity 0.4394237E+00 Gb(Abramov) 0.2285198E-01 Vb(Abramov) -0.2081922E-01 Hb(Abramov) 0.2032764E-02 Ex_ueg -0.5486672E-02 Ec_ueg -0.1104043E-02 Delta_ex -0.6877723E-02 Delta_ec 0.2879789E-02 Delta_et -0.2522976E-01 Pxc 0.4969616E+01 Qxc -0.2388274E+01 3,-1 92 3 +1 0.778955 -2.010160 0.410834 Rho 0.1707219E-01 |GRAD(Rho)| 0.3703644E-16 GRAD(Rho)x -0.2329003E-17 GRAD(Rho)y -0.2186347E-16 GRAD(Rho)z 0.2980373E-16 Laplacian 0.5901392E-01 (-1/4)Del**2(Rho)) -0.1475348E-01 Diamond 0.3152700E-02 Metallicity 0.1321724E+01 Ellipticity -0.1617057E+01 Gb(Abramov) 0.1308566E-01 Vb(Abramov) -0.1141784E-01 Hb(Abramov) 0.1667821E-02 Ex_ueg -0.3246664E-02 Ec_ueg -0.6985062E-03 Delta_ex -0.3063343E-02 Delta_ec 0.5444646E-03 Delta_et -0.4573869E-02 Pxc 0.4648011E+01 Qxc -0.5626339E+01 3,+1 93 3 -1 1.057521 -1.964563 2.712851 Rho 0.1456052E+00 |GRAD(Rho)| 0.1567039E-15 GRAD(Rho)x -0.2095221E-16 GRAD(Rho)y -0.1529538E-15 GRAD(Rho)z -0.2687466E-16 Laplacian 0.6237856E+00 (-1/4)Del**2(Rho)) -0.1559464E+00 Diamond 0.1210401E+01 Metallicity 0.4451836E+01 Ellipticity 0.3357109E-01 Gb(Abramov) 0.2196722E+00 Vb(Abramov) -0.2833981E+00 Hb(Abramov) -0.6372584E-01 Ex_ueg -0.5657451E-01 Ec_ueg -0.8162778E-02 Delta_ex -0.6640490E-01 Delta_ec 0.1577076E-01 Delta_et -0.2086755E+00 Pxc 0.6930791E+01 Qxc -0.4210634E+01 3,-1 94 3 -1 0.249218 -1.824370 1.536716 Rho 0.4621073E-01 |GRAD(Rho)| 0.3382103E-12 GRAD(Rho)x -0.1068609E-12 GRAD(Rho)y 0.2570029E-12 GRAD(Rho)z -0.1921365E-12 Laplacian 0.1843420E+00 (-1/4)Del**2(Rho)) -0.4608550E-01 Diamond 0.8257257E-01 Metallicity 0.2224472E+01 Ellipticity 0.5912690E-01 Gb(Abramov) 0.4780965E-01 Vb(Abramov) -0.4953380E-01 Hb(Abramov) -0.1724152E-02 Ex_ueg -0.1224735E-01 Ec_ueg -0.2206513E-02 Delta_ex -0.1481024E-01 Delta_ec 0.5377807E-02 Delta_et -0.5551994E-01 Pxc 0.5550546E+01 Qxc -0.2753956E+01 3,-1 95 3 -1 0.756131 2.295076 -2.218178 Rho 0.9837449E-01 |GRAD(Rho)| 0.2131119E-15 GRAD(Rho)x 0.1001396E-15 GRAD(Rho)y -0.1736214E-15 GRAD(Rho)z -0.7241793E-16 Laplacian 0.4049679E+00 (-1/4)Del**2(Rho)) -0.1012420E+00 Diamond 0.5123307E+00 Metallicity 0.3567221E+01 Ellipticity 0.2055096E-01 Gb(Abramov) 0.1276867E+00 Vb(Abramov) -0.1541315E+00 Hb(Abramov) -0.2644476E-01 Ex_ueg -0.3353990E-01 Ec_ueg -0.5226690E-02 Delta_ex -0.3963890E-01 Delta_ec 0.1191149E-01 Delta_et -0.1481689E+00 Pxc 0.6417043E+01 Qxc -0.3327787E+01 3,-1 96 3 +3 1.313519 2.287368 -0.235244 Rho 0.3780823E-02 |GRAD(Rho)| 0.5139484E-17 GRAD(Rho)x 0.3472583E-17 GRAD(Rho)y -0.3026625E-17 GRAD(Rho)z -0.2279255E-17 Laplacian 0.1492036E-01 (-1/4)Del**2(Rho)) -0.3730089E-02 Diamond 0.1181694E-03 Metallicity 0.4237839E+00 Ellipticity -0.3404696E+00 Gb(Abramov) 0.2750185E-02 Vb(Abramov) -0.1770280E-02 Hb(Abramov) 0.9799045E-03 Ex_ueg -0.4350109E-03 Ec_ueg -0.9482992E-04 Delta_ex -0.5407677E-03 Delta_ec 0.1789425E-03 Delta_et -0.1013485E-02 Pxc 0.4587275E+01 Qxc -0.3022019E+01 3,+3 97 3 +1 1.527883 2.586371 -0.394362 Rho 0.3934380E-02 |GRAD(Rho)| 0.4306468E-17 GRAD(Rho)x -0.1819746E-17 GRAD(Rho)y 0.3015733E-17 GRAD(Rho)z 0.2477811E-17 Laplacian 0.1533537E-01 (-1/4)Del**2(Rho)) -0.3833842E-02 Diamond 0.2224333E-03 Metallicity 0.4406016E+00 Ellipticity -0.1687843E+01 Gb(Abramov) 0.2837428E-02 Vb(Abramov) -0.1841013E-02 Hb(Abramov) 0.9964146E-03 Ex_ueg -0.4587261E-03 Ec_ueg -0.1013471E-03 Delta_ex -0.6816539E-03 Delta_ec 0.3990439E-03 Delta_et -0.2050837E-02 Pxc 0.4526289E+01 Qxc -0.1708218E+01 3,+1 98 3 +1 2.593733 0.773134 1.483726 Rho 0.2711966E-01 |GRAD(Rho)| 0.8171556E-15 GRAD(Rho)x 0.5484607E-15 GRAD(Rho)y -0.1221894E-15 GRAD(Rho)z -0.5932992E-15 Laplacian 0.1044741E+00 (-1/4)Del**2(Rho)) -0.2611852E-01 Diamond 0.1149758E-01 Metallicity 0.1614650E+01 Ellipticity -0.1883413E+01 Gb(Abramov) 0.2444106E-01 Vb(Abramov) -0.2276359E-01 Hb(Abramov) 0.1677463E-02 Ex_ueg -0.6017702E-02 Ec_ueg -0.1196017E-02 Delta_ex -0.6271899E-02 Delta_ec 0.1114051E-02 Delta_et -0.1014352E-01 Pxc 0.5031453E+01 Qxc -0.5629814E+01 3,+1 99 3 -1 1.434578 3.633906 1.184222 Rho 0.1590360E+00 |GRAD(Rho)| 0.6316777E-15 GRAD(Rho)x 0.3979564E-15 GRAD(Rho)y 0.2385245E-16 GRAD(Rho)z 0.4899781E-15 Laplacian 0.6802691E+00 (-1/4)Del**2(Rho)) -0.1700673E+00 Diamond 0.1456790E+01 Metallicity 0.4728878E+01 Ellipticity 0.3947113E-01 Gb(Abramov) 0.2474161E+00 Vb(Abramov) -0.3247649E+00 Hb(Abramov) -0.7734881E-01 Ex_ueg -0.6363738E-01 Ec_ueg -0.9024434E-02 Delta_ex -0.7391294E-01 Delta_ec 0.1664514E-01 Delta_et -0.2224106E+00 Pxc 0.7051675E+01 Qxc -0.4440512E+01 3,-1 100 3 -1 2.103339 -1.568265 -0.571502 Rho 0.1025829E+00 |GRAD(Rho)| 0.2734786E-15 GRAD(Rho)x -0.1802960E-15 GRAD(Rho)y -0.1174665E-15 GRAD(Rho)z -0.1687764E-15 Laplacian 0.4418160E+00 (-1/4)Del**2(Rho)) -0.1104540E+00 Diamond 0.5838232E+00 Metallicity 0.3506144E+01 Ellipticity 0.5976967E-01 Gb(Abramov) 0.1381806E+00 Vb(Abramov) -0.1659072E+00 Hb(Abramov) -0.2772660E-01 Ex_ueg -0.3546648E-01 Ec_ueg -0.5481776E-02 Delta_ex -0.4359678E-01 Delta_ec 0.1275729E-01 Delta_et -0.1599158E+00 Pxc 0.6469889E+01 Qxc -0.3417402E+01 3,-1 101 3 -1 1.745942 2.304291 1.643613 Rho 0.4639509E-01 |GRAD(Rho)| 0.3097507E-16 GRAD(Rho)x -0.3964749E-17 GRAD(Rho)y -0.3051606E-16 GRAD(Rho)z 0.3536363E-17 Laplacian 0.1813369E+00 (-1/4)Del**2(Rho)) -0.4533422E-01 Diamond 0.8066376E-01 Metallicity 0.2276392E+01 Ellipticity 0.4396252E-01 Gb(Abramov) 0.4742256E-01 Vb(Abramov) -0.4951090E-01 Hb(Abramov) -0.2088336E-02 Ex_ueg -0.1231254E-01 Ec_ueg -0.2216598E-02 Delta_ex -0.1453561E-01 Delta_ec 0.5204641E-02 Delta_et -0.5376896E-01 Pxc 0.5554702E+01 Qxc -0.2792816E+01 3,-1 102 3 -1 1.797403 -2.779395 -1.633043 Rho 0.2164119E+00 |GRAD(Rho)| 0.2869147E-13 GRAD(Rho)x -0.1344389E-13 GRAD(Rho)y 0.1952214E-13 GRAD(Rho)z 0.1616627E-13 Laplacian 0.7904618E+00 (-1/4)Del**2(Rho)) -0.1976155E+00 Diamond 0.2473319E+01 Metallicity 0.6800394E+01 Ellipticity 0.9872601E-02 Gb(Abramov) 0.3557208E+00 Vb(Abramov) -0.5138262E+00 Hb(Abramov) -0.1581054E+00 Ex_ueg -0.9596065E-01 Ec_ueg -0.1282380E-01 Delta_ex -0.9300253E-01 Delta_ec 0.1804611E-01 Delta_et -0.2489497E+00 Pxc 0.7483015E+01 Qxc -0.5153604E+01 3,-1 103 3 -1 1.461072 -2.703096 -0.085210 Rho 0.7079378E-01 |GRAD(Rho)| 0.1038940E-14 GRAD(Rho)x 0.5059370E-15 GRAD(Rho)y 0.8735044E-15 GRAD(Rho)z -0.2457920E-15 Laplacian 0.3081507E+00 (-1/4)Del**2(Rho)) -0.7703768E-01 Diamond 0.2641132E+00 Metallicity 0.2709205E+01 Ellipticity 0.3355902E-01 Gb(Abramov) 0.8614359E-01 Vb(Abramov) -0.9524951E-01 Hb(Abramov) -0.9105917E-02 Ex_ueg -0.2162944E-01 Ec_ueg -0.3593005E-02 Delta_ex -0.2808169E-01 Delta_ec 0.9809703E-02 Delta_et -0.1133885E+00 Pxc 0.6019873E+01 Qxc -0.2862644E+01 3,-1 104 3 +1 1.852154 1.772076 2.512811 Rho 0.3011159E-01 |GRAD(Rho)| 0.3893842E-16 GRAD(Rho)x 0.2235366E-16 GRAD(Rho)y -0.1978548E-16 GRAD(Rho)z 0.2500098E-16 Laplacian 0.1205558E+00 (-1/4)Del**2(Rho)) -0.3013895E-01 Diamond 0.2047876E-01 Metallicity 0.1665896E+01 Ellipticity -0.5188104E+01 Gb(Abramov) 0.2846069E-01 Vb(Abramov) -0.2678244E-01 Hb(Abramov) 0.1678258E-02 Ex_ueg -0.6918788E-02 Ec_ueg -0.1349365E-02 Delta_ex -0.7891144E-02 Delta_ec 0.2061700E-02 Delta_et -0.1903102E-01 Pxc 0.5127441E+01 Qxc -0.3827494E+01 3,+1 105 3 +1 2.597789 1.709970 1.048650 Rho 0.2008923E-01 |GRAD(Rho)| 0.3935603E-16 GRAD(Rho)x 0.2138279E-16 GRAD(Rho)y -0.3276918E-16 GRAD(Rho)z 0.4225407E-17 Laplacian 0.6957161E-01 (-1/4)Del**2(Rho)) -0.1739290E-01 Diamond 0.4891182E-02 Metallicity 0.1470460E+01 Ellipticity -0.1801951E+01 Gb(Abramov) 0.1585786E-01 Vb(Abramov) -0.1432282E-01 Hb(Abramov) 0.1535041E-02 Ex_ueg -0.4033382E-02 Ec_ueg -0.8447938E-03 Delta_ex -0.3815080E-02 Delta_ec 0.7018202E-03 Delta_et -0.6044172E-02 Pxc 0.4774398E+01 Qxc -0.5435979E+01 3,+1 106 3 -1 2.216025 1.582309 3.487105 Rho 0.1067634E+00 |GRAD(Rho)| 0.1167515E-14 GRAD(Rho)x 0.1322261E-15 GRAD(Rho)y 0.1141529E-14 GRAD(Rho)z -0.2062017E-15 Laplacian 0.4020663E+00 (-1/4)Del**2(Rho)) -0.1005166E+00 Diamond 0.5470793E+00 Metallicity 0.4118000E+01 Ellipticity 0.7118213E-02 Gb(Abramov) 0.1359989E+00 Vb(Abramov) -0.1714813E+00 Hb(Abramov) -0.3548235E-01 Ex_ueg -0.3740661E-01 Ec_ueg -0.5736546E-02 Delta_ex -0.3988029E-01 Delta_ec 0.1121630E-01 Delta_et -0.1413411E+00 Pxc 0.6520755E+01 Qxc -0.3555567E+01 3,-1 107 3 -1 1.952982 1.397802 -1.813843 Rho 0.1474097E+00 |GRAD(Rho)| 0.1193255E-15 GRAD(Rho)x 0.8131516E-17 GRAD(Rho)y -0.4183326E-16 GRAD(Rho)z 0.1114560E-15 Laplacian 0.6227279E+00 (-1/4)Del**2(Rho)) -0.1556820E+00 Diamond 0.1261629E+01 Metallicity 0.4551889E+01 Ellipticity 0.1435004E-01 Gb(Abramov) 0.2218958E+00 Vb(Abramov) -0.2881097E+00 Hb(Abramov) -0.6621386E-01 Ex_ueg -0.5751130E-01 Ec_ueg -0.8277905E-02 Delta_ex -0.6685273E-01 Delta_ec 0.1633802E-01 Delta_et -0.2180153E+00 Pxc 0.6947567E+01 Qxc -0.4091851E+01 3,-1 108 3 -1 2.474510 4.320664 2.053294 Rho 0.2431917E+00 |GRAD(Rho)| 0.4648919E-15 GRAD(Rho)x 0.1363113E-15 GRAD(Rho)y 0.3767603E-15 GRAD(Rho)z 0.2357869E-15 Laplacian 0.9002436E+00 (-1/4)Del**2(Rho)) -0.2250609E+00 Diamond 0.3210507E+01 Metallicity 0.7252722E+01 Ellipticity 0.3655795E-02 Gb(Abramov) 0.4220913E+00 Vb(Abramov) -0.6191217E+00 Hb(Abramov) -0.1970304E+00 Ex_ueg -0.1121115E+00 Ec_ueg -0.1466003E-01 Delta_ex -0.1090162E+00 Delta_ec 0.1958099E-01 Delta_et -0.2703219E+00 Pxc 0.7647427E+01 Qxc -0.5567449E+01 3,-1 109 3 -1 2.949992 3.085698 1.324488 Rho 0.2121766E+00 |GRAD(Rho)| 0.8288082E-12 GRAD(Rho)x -0.6410742E-12 GRAD(Rho)y 0.3026905E-12 GRAD(Rho)z 0.4293312E-12 Laplacian 0.7760712E+00 (-1/4)Del**2(Rho)) -0.1940178E+00 Diamond 0.2403283E+01 Metallicity 0.6702049E+01 Ellipticity 0.3875033E-01 Gb(Abramov) 0.3460647E+00 Vb(Abramov) -0.4981115E+00 Hb(Abramov) -0.1520469E+00 Ex_ueg -0.9346489E-01 Ec_ueg -0.1253701E-01 Delta_ex -0.9104655E-01 Delta_ec 0.1817513E-01 Delta_et -0.2517591E+00 Pxc 0.7455119E+01 Qxc -0.5009403E+01 3,-1 110 3 -1 2.254305 2.959294 2.677049 Rho 0.1727546E+00 |GRAD(Rho)| 0.6668888E-15 GRAD(Rho)x -0.6528930E-17 GRAD(Rho)y -0.3541275E-15 GRAD(Rho)z 0.5650591E-15 Laplacian 0.6602219E+00 (-1/4)Del**2(Rho)) -0.1650555E+00 Diamond 0.1590303E+01 Metallicity 0.5592927E+01 Ellipticity 0.6219877E-01 Gb(Abramov) 0.2638942E+00 Vb(Abramov) -0.3627329E+00 Hb(Abramov) -0.9883872E-01 Ex_ueg -0.7105988E-01 Ec_ueg -0.9915714E-02 Delta_ex -0.7347167E-01 Delta_ec 0.1623558E-01 Delta_et -0.2202315E+00 Pxc 0.7166391E+01 Qxc -0.4525349E+01 3,-1 111 3 -1 3.110880 -0.270548 0.079012 Rho 0.1641057E+00 |GRAD(Rho)| 0.3527058E-15 GRAD(Rho)x 0.5255670E-16 GRAD(Rho)y 0.3406563E-15 GRAD(Rho)z 0.7478284E-16 Laplacian 0.6853968E+00 (-1/4)Del**2(Rho)) -0.1713492E+00 Diamond 0.1562363E+01 Metallicity 0.4945506E+01 Ellipticity 0.2101525E-01 Gb(Abramov) 0.2554676E+00 Vb(Abramov) -0.3395859E+00 Hb(Abramov) -0.8411834E-01 Ex_ueg -0.6635649E-01 Ec_ueg -0.9352516E-02 Delta_ex -0.7539262E-01 Delta_ec 0.1723904E-01 Delta_et -0.2328319E+00 Pxc 0.7095042E+01 Qxc -0.4373365E+01 3,-1 112 3 -1 3.510748 0.485861 1.396288 Rho 0.1008530E+00 |GRAD(Rho)| 0.1995321E-15 GRAD(Rho)x -0.4931002E-16 GRAD(Rho)y 0.6634470E-16 GRAD(Rho)z 0.1816039E-15 Laplacian 0.4119127E+00 (-1/4)Del**2(Rho)) -0.1029782E+00 Diamond 0.5372094E+00 Metallicity 0.3655579E+01 Ellipticity 0.1068448E-01 Gb(Abramov) 0.1313929E+00 Vb(Abramov) -0.1598077E+00 Hb(Abramov) -0.2841476E-01 Ex_ueg -0.3467132E-01 Ec_ueg -0.5376755E-02 Delta_ex -0.4055346E-01 Delta_ec 0.1205729E-01 Delta_et -0.1507630E+00 Pxc 0.6448372E+01 Qxc -0.3363396E+01 3,-1 113 3 -1 3.524576 1.749691 0.639832 Rho 0.6572814E-01 |GRAD(Rho)| 0.1778941E-10 GRAD(Rho)x 0.1011365E-10 GRAD(Rho)y -0.1187894E-10 GRAD(Rho)z -0.8547990E-11 Laplacian 0.2839381E+00 (-1/4)Del**2(Rho)) -0.7098453E-01 Diamond 0.2206698E+00 Metallicity 0.2598015E+01 Ellipticity 0.4086809E-01 Gb(Abramov) 0.7805950E-01 Vb(Abramov) -0.8513447E-01 Hb(Abramov) -0.7074973E-02 Ex_ueg -0.1959086E-01 Ec_ueg -0.3301132E-02 Delta_ex -0.2541132E-01 Delta_ec 0.9078748E-02 Delta_et -0.1030051E+00 Pxc 0.5934588E+01 Qxc -0.2798990E+01 3,-1 114 3 -1 2.876875 0.427412 2.918913 Rho 0.1665403E+00 |GRAD(Rho)| 0.2083028E-11 GRAD(Rho)x 0.1558103E-11 GRAD(Rho)y -0.1632975E-12 GRAD(Rho)z -0.1372826E-11 Laplacian 0.6611263E+00 (-1/4)Del**2(Rho)) -0.1652816E+00 Diamond 0.1508444E+01 Metallicity 0.5254452E+01 Ellipticity 0.5086718E-01 Gb(Abramov) 0.2549317E+00 Vb(Abramov) -0.3445819E+00 Hb(Abramov) -0.8965016E-01 Ex_ueg -0.6767226E-01 Ec_ueg -0.9510604E-02 Delta_ex -0.7276848E-01 Delta_ec 0.1617224E-01 Delta_et -0.2177861E+00 Pxc 0.7115454E+01 Qxc -0.4499592E+01 3,-1 115 3 -1 3.032517 1.082427 -0.512874 Rho 0.1269755E+00 |GRAD(Rho)| 0.3585367E-13 GRAD(Rho)x 0.1892476E-13 GRAD(Rho)y -0.2159996E-13 GRAD(Rho)z 0.2146579E-13 Laplacian 0.5321394E+00 (-1/4)Del**2(Rho)) -0.1330348E+00 Diamond 0.9109005E+00 Metallicity 0.4153882E+01 Ellipticity 0.3344261E-01 Gb(Abramov) 0.1807917E+00 Vb(Abramov) -0.2285486E+00 Hb(Abramov) -0.4775689E-01 Ex_ueg -0.4713514E-01 Ec_ueg -0.6986344E-02 Delta_ex -0.5522868E-01 Delta_ec 0.1468460E-01 Delta_et -0.1916907E+00 Pxc 0.6746754E+01 Qxc -0.3760993E+01 3,-1 116 3 -1 4.416363 0.557297 0.087397 Rho 0.2197815E+00 |GRAD(Rho)| 0.5974766E-14 GRAD(Rho)x 0.3673169E-14 GRAD(Rho)y 0.4634876E-14 GRAD(Rho)z 0.8506379E-15 Laplacian 0.8124591E+00 (-1/4)Del**2(Rho)) -0.2031148E+00 Diamond 0.2578805E+01 Metallicity 0.6788863E+01 Ellipticity 0.3480427E-02 Gb(Abramov) 0.3652296E+00 Vb(Abramov) -0.5273443E+00 Hb(Abramov) -0.1621148E+00 Ex_ueg -0.9795802E-01 Ec_ueg -0.1305268E-01 Delta_ex -0.9590671E-01 Delta_ec 0.1834942E-01 Delta_et -0.2529048E+00 Pxc 0.7504822E+01 Qxc -0.5226688E+01 3,-1 117 3 -1 -1.573105 -2.650790 1.008117 Rho 0.7923336E-01 |GRAD(Rho)| 0.1028247E-15 GRAD(Rho)x 0.3301734E-16 GRAD(Rho)y -0.3230245E-16 GRAD(Rho)z 0.9186581E-16 Laplacian 0.3342429E+00 (-1/4)Del**2(Rho)) -0.8356071E-01 Diamond 0.3288697E+00 Metallicity 0.3013454E+01 Ellipticity 0.1385777E-01 Gb(Abramov) 0.9767487E-01 Vb(Abramov) -0.1117890E+00 Hb(Abramov) -0.1411415E-01 Ex_ueg -0.2513405E-01 Ec_ueg -0.4085331E-02 Delta_ex -0.3123372E-01 Delta_ec 0.1042468E-01 Delta_et -0.1237661E+00 Pxc 0.6152268E+01 Qxc -0.2996133E+01 3,-1 118 3 -1 -2.737956 -2.818459 -0.129306 Rho 0.2070190E+00 |GRAD(Rho)| 0.4257280E-15 GRAD(Rho)x -0.3068834E-15 GRAD(Rho)y 0.2553838E-15 GRAD(Rho)z -0.1478039E-15 Laplacian 0.7807270E+00 (-1/4)Del**2(Rho)) -0.1951817E+00 Diamond 0.2308945E+01 Metallicity 0.6394368E+01 Ellipticity 0.2640080E-01 Gb(Abramov) 0.3381318E+00 Vb(Abramov) -0.4810818E+00 Hb(Abramov) -0.1429500E+00 Ex_ueg -0.9044793E-01 Ec_ueg -0.1218910E-01 Delta_ex -0.9076929E-01 Delta_ec 0.1796588E-01 Delta_et -0.2468134E+00 Pxc 0.7420393E+01 Qxc -0.5052317E+01 3,-1 119 3 -1 -1.250066 -2.434596 -0.464565 Rho 0.8137950E-01 |GRAD(Rho)| 0.1257838E-13 GRAD(Rho)x 0.1079809E-13 GRAD(Rho)y -0.8465772E-15 GRAD(Rho)z -0.6395333E-14 Laplacian 0.3429357E+00 (-1/4)Del**2(Rho)) -0.8573392E-01 Diamond 0.3360134E+00 Metallicity 0.3070852E+01 Ellipticity 0.9830881E-02 Gb(Abramov) 0.1010353E+00 Vb(Abramov) -0.1163367E+00 Hb(Abramov) -0.1530139E-01 Ex_ueg -0.2604584E-01 Ec_ueg -0.4211658E-02 Delta_ex -0.3195506E-01 Delta_ec 0.1013539E-01 Delta_et -0.1206767E+00 Pxc 0.6184226E+01 Qxc -0.3152821E+01 3,-1 120 3 -1 0.040001 3.739402 0.042838 Rho 0.1178902E+00 |GRAD(Rho)| 0.1026325E-12 GRAD(Rho)x 0.7916518E-13 GRAD(Rho)y -0.5220832E-15 GRAD(Rho)z 0.6531491E-13 Laplacian 0.4912274E+00 (-1/4)Del**2(Rho)) -0.1228069E+00 Diamond 0.7552101E+00 Metallicity 0.3976127E+01 Ellipticity 0.3950979E-01 Gb(Abramov) 0.1632538E+00 Vb(Abramov) -0.2037008E+00 Hb(Abramov) -0.4044699E-01 Ex_ueg -0.4269288E-01 Ec_ueg -0.6420981E-02 Delta_ex -0.4990406E-01 Delta_ec 0.1344962E-01 Delta_et -0.1727222E+00 Pxc 0.6648966E+01 Qxc -0.3710444E+01 3,-1 121 3 +1 0.203013 -1.741782 -0.195608 Rho 0.2355173E-01 |GRAD(Rho)| 0.1180858E-15 GRAD(Rho)x -0.6110220E-16 GRAD(Rho)y -0.4226093E-16 GRAD(Rho)z 0.9178665E-16 Laplacian 0.8676079E-01 (-1/4)Del**2(Rho)) -0.2169020E-01 Diamond 0.9209063E-02 Metallicity 0.1536954E+01 Ellipticity -0.2550011E+01 Gb(Abramov) 0.2001627E-01 Vb(Abramov) -0.1834235E-01 Hb(Abramov) 0.1673926E-02 Ex_ueg -0.4985959E-02 Ec_ueg -0.1016076E-02 Delta_ex -0.5164648E-02 Delta_ec 0.1211163E-02 Delta_et -0.1060673E-01 Pxc 0.4907074E+01 Qxc -0.4264207E+01 3,+1 122 3 -1 -0.365482 1.027879 0.304702 Rho 0.1739270E+00 |GRAD(Rho)| 0.9462130E-13 GRAD(Rho)x 0.4220495E-13 GRAD(Rho)y -0.1236164E-13 GRAD(Rho)z -0.8378020E-13 Laplacian 0.4516070E+00 (-1/4)Del**2(Rho)) -0.1129017E+00 Diamond 0.1113477E+01 Metallicity 0.8269210E+01 Ellipticity 0.1105353E-01 Gb(Abramov) 0.2308692E+00 Vb(Abramov) -0.3488367E+00 Hb(Abramov) -0.1179675E+00 Ex_ueg -0.7170360E-01 Ec_ueg -0.9992394E-02 Delta_ex -0.5047885E-01 Delta_ec 0.1133135E-01 Delta_et -0.1545204E+00 Pxc 0.7175817E+01 Qxc -0.4454795E+01 3,-1 123 3 -1 1.157657 0.287559 -2.359367 Rho 0.1395797E+00 |GRAD(Rho)| 0.1607818E-15 GRAD(Rho)x 0.2960677E-16 GRAD(Rho)y 0.1510836E-15 GRAD(Rho)z 0.4634625E-16 Laplacian 0.5868915E+00 (-1/4)Del**2(Rho)) -0.1467229E+00 Diamond 0.1117300E+01 Metallicity 0.4409871E+01 Ellipticity 0.2551310E-01 Gb(Abramov) 0.2056534E+00 Vb(Abramov) -0.2645840E+00 Hb(Abramov) -0.5893054E-01 Ex_ueg -0.5347468E-01 Ec_ueg -0.7779840E-02 Delta_ex -0.6221679E-01 Delta_ec 0.1567555E-01 Delta_et -0.2075789E+00 Pxc 0.6873493E+01 Qxc -0.3969035E+01 3,-1 124 3 -1 1.177896 0.739492 3.892113 Rho 0.1512893E+00 |GRAD(Rho)| 0.3854677E-15 GRAD(Rho)x -0.3767603E-15 GRAD(Rho)y 0.7797446E-16 GRAD(Rho)z 0.2360173E-16 Laplacian 0.5939604E+00 (-1/4)Del**2(Rho)) -0.1484901E+00 Diamond 0.1225335E+01 Metallicity 0.4983520E+01 Ellipticity 0.8273428E-01 Gb(Abramov) 0.2223273E+00 Vb(Abramov) -0.2961645E+00 Hb(Abramov) -0.7383720E-01 Ex_ueg -0.5953826E-01 Ec_ueg -0.8526101E-02 Delta_ex -0.6401113E-01 Delta_ec 0.1520051E-01 Delta_et -0.2029679E+00 Pxc 0.6983058E+01 Qxc -0.4211118E+01 3,-1 125 3 -1 1.710620 0.860963 2.500938 Rho 0.5658219E-01 |GRAD(Rho)| 0.1988777E-13 GRAD(Rho)x -0.1728949E-14 GRAD(Rho)y -0.1861848E-13 GRAD(Rho)z 0.6773941E-14 Laplacian 0.2217091E+00 (-1/4)Del**2(Rho)) -0.5542728E-01 Diamond 0.1292605E+00 Metallicity 0.2591965E+01 Ellipticity 0.3190400E-01 Gb(Abramov) 0.6089578E-01 Vb(Abramov) -0.6636429E-01 Hb(Abramov) -0.5468504E-02 Ex_ueg -0.1604321E-01 Ec_ueg -0.2781818E-02 Delta_ex -0.1869379E-01 Delta_ec 0.6357942E-02 Delta_et -0.6912467E-01 Pxc 0.5767168E+01 Qxc -0.2940226E+01 3,-1 126 3 -1 1.582947 1.474803 -3.318550 Rho 0.2224677E+00 |GRAD(Rho)| 0.5286979E-15 GRAD(Rho)x -0.2857415E-15 GRAD(Rho)y -0.7936360E-16 GRAD(Rho)z 0.4376924E-15 Laplacian 0.8125622E+00 (-1/4)Del**2(Rho)) -0.2031405E+00 Diamond 0.2624128E+01 Metallicity 0.6926837E+01 Ellipticity 0.8041057E-03 Gb(Abramov) 0.3699473E+00 Vb(Abramov) -0.5367540E+00 Hb(Abramov) -0.1668067E+00 Ex_ueg -0.9955761E-01 Ec_ueg -0.1323558E-01 Delta_ex -0.9626240E-01 Delta_ec 0.1836200E-01 Delta_et -0.2535410E+00 Pxc 0.7521965E+01 Qxc -0.5242479E+01 3,-1 127 3 -1 1.749808 -0.429593 3.333915 Rho 0.1331751E+00 |GRAD(Rho)| 0.1394392E-15 GRAD(Rho)x -0.1264044E-15 GRAD(Rho)y -0.5875021E-16 GRAD(Rho)z 0.3693064E-17 Laplacian 0.5558085E+00 (-1/4)Del**2(Rho)) -0.1389521E+00 Diamond 0.9854760E+00 Metallicity 0.4305856E+01 Ellipticity 0.3686996E-01 Gb(Abramov) 0.1923527E+00 Vb(Abramov) -0.2457533E+00 Hb(Abramov) -0.5340060E-01 Ex_ueg -0.5022835E-01 Ec_ueg -0.7375340E-02 Delta_ex -0.5808833E-01 Delta_ec 0.1470826E-01 Delta_et -0.1927231E+00 Pxc 0.6810311E+01 Qxc -0.3949369E+01 3,-1 128 3 -1 2.380052 0.917333 0.903020 Rho 0.3755147E-01 |GRAD(Rho)| 0.8024493E-16 GRAD(Rho)x -0.6571875E-16 GRAD(Rho)y 0.2175022E-16 GRAD(Rho)z 0.4058601E-16 Laplacian 0.1540894E+00 (-1/4)Del**2(Rho)) -0.3852236E-01 Diamond 0.5608752E-01 Metallicity 0.1883151E+01 Ellipticity 0.5251356E-01 Gb(Abramov) 0.3777215E-01 Vb(Abramov) -0.3702193E-01 Hb(Abramov) 0.7502149E-03 Ex_ueg -0.9287261E-02 Ec_ueg -0.1739308E-02 Delta_ex -0.1200986E-01 Delta_ec 0.4956746E-02 Delta_et -0.4845274E-01 Pxc 0.5339630E+01 Qxc -0.2422932E+01 3,-1 129 3 -1 2.556597 0.377670 4.402228 Rho 0.2453355E+00 |GRAD(Rho)| 0.1080820E-14 GRAD(Rho)x 0.6965457E-15 GRAD(Rho)y -0.1414748E-15 GRAD(Rho)z 0.8142358E-15 Laplacian 0.9161633E+00 (-1/4)Del**2(Rho)) -0.2290408E+00 Diamond 0.3292693E+01 Metallicity 0.7231707E+01 Ellipticity 0.4719090E-02 Gb(Abramov) 0.4287533E+00 Vb(Abramov) -0.6284657E+00 Hb(Abramov) -0.1997124E+00 Ex_ueg -0.1134311E+00 Ec_ueg -0.1480872E-01 Delta_ex -0.1111515E+00 Delta_ec 0.1978893E-01 Delta_et -0.2728559E+00 Pxc 0.7659752E+01 Qxc -0.5616853E+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 94 93 90 76 87 118 74 63 120 68 58 61 128 116 111 115 112 113 46 44 51 119 117 126 78 123 107 89 95 108 101 99 110 109 125 124 127 106 114 129 91 102 85 100 77 103 56 47 50 57 52 72 71 66 60 67 122 88 80 59 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 13 13 14 14 14 15 16 17 23 13 24 33 39 41 5 15 23 25 26 34 40 16 21 22 27 35 38 13 18 28 29 39 8 15 20 27 31 40 9 16 25 32 38 16 17 24 32 35 37 13 19 20 22 29 33 15 18 30 31 34 29 36 36 42 43 36 36 43 42 2.398655 1.918568 1.795610 1.832235 1.741034 1.800578 2.322585 1.922005 2.003855 1.734764 2.013654 1.880156 2.487142 1.778306 1.876840 1.976747 2.076452 2.235769 2.408171 2.125372 1.807756 2.166614 2.160209 1.773913 2.578903 1.939481 1.917054 2.178924 2.085872 1.737999 2.407630 1.884175 1.869091 1.790244 2.330980 1.923504 1.956008 2.061594 1.883264 1.734755 2.661759 1.784281 1.950413 2.059340 1.891544 2.201664 2.461613 1.830770 1.740402 1.803641 1.893488 2.588287 1.709766 1.688427 1.627151 1.644538 1.726992 1.746544 1.013242 1.014880 2.401137 1.918789 1.795795 1.832563 1.741042 1.800613 2.324159 1.923635 2.004089 1.734783 2.014440 1.880718 2.488875 1.778314 1.877029 1.976920 2.076789 2.236593 2.410217 2.125521 1.807802 2.166993 2.160826 1.773923 2.580837 1.939672 1.917291 2.179740 2.086238 1.738004 2.409701 1.884373 1.869593 1.790389 2.332300 1.925187 1.956271 2.062256 1.883857 1.734771 2.663797 1.784298 1.950610 2.059515 1.891822 2.202436 2.463319 1.830875 1.740414 1.803860 1.894018 2.592890 1.709889 1.688471 1.632889 1.650156 1.727046 1.746597 1.013323 1.014953 29 25 25 25 22 24 29 25 27 25 26 27 29 23 24 24 27 26 28 28 24 27 28 24 29 27 27 27 26 21 29 26 26 23 29 27 26 27 25 23 29 24 26 24 25 26 29 23 24 27 25 29 25 24 23 24 24 24 19 19 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 W O W Ta Ta Ta W O O W Ta W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H 2.4639 -0.9473 2.4757 2.2415 2.0675 2.2484 2.4875 -0.8940 -0.7857 2.4732 2.1792 2.4792 -1.0804 -0.8969 -1.1023 -1.1110 -0.7748 -0.9828 -0.9234 -1.0242 -0.9030 -1.0111 -0.7767 -1.0064 -0.9987 -0.7656 -1.0168 -0.9339 -1.0332 -0.7996 -0.9400 -0.9651 -0.9224 -0.9813 -0.9792 2.2992 -0.7671 -0.9108 -0.9629 -0.9757 -0.7959 0.2767 0.2759 2.0923 1.9403 2.1113 2.1114 2.1408 2.1125 2.0837 1.9499 1.9679 2.1115 2.1291 2.0806 1.9385 1.9570 1.9321 1.9271 1.8776 1.9332 1.9461 1.9246 1.9481 1.9281 1.8779 1.9252 1.9262 1.9678 1.9267 1.9392 1.9324 1.9668 1.9539 1.9441 1.9547 1.9424 1.9424 0.8779 1.9681 1.9589 1.9459 1.9423 1.9660 0.5516 0.5543 6.0957 4.9811 6.0948 6.0690 6.1011 6.0723 6.0903 4.9150 4.7816 6.0958 6.0873 6.0939 5.1068 4.9025 5.1355 5.1496 4.8667 5.0209 4.9495 5.0733 4.9262 5.0566 4.8682 5.0534 5.0441 4.7614 5.0632 4.9689 5.0764 4.7970 4.9509 4.9870 4.9313 5.0055 5.0072 1.2633 4.7626 4.9154 4.9842 5.0043 4.7942 0.1718 0.1698 3.3208 0.0259 3.2894 2.5453 2.6586 2.5337 3.3112 0.0292 0.0362 3.2906 2.5717 3.3190 0.0350 0.0374 0.0347 0.0342 0.0305 0.0287 0.0279 0.0263 0.0287 0.0264 0.0306 0.0278 0.0284 0.0363 0.0269 0.0258 0.0244 0.0357 0.0353 0.0339 0.0364 0.0333 0.0296 10.5596 0.0363 0.0365 0.0328 0.0291 0.0357 0.0000 0.0000 14.0273 0.0000 14.0289 14.0329 14.0321 14.0330 14.0274 0.0000 0.0000 14.0289 14.0327 14.0273 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 W O W Ta Ta Ta W O O W Ta W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H 2.448634 -1.041388 2.517853 2.343667 2.309146 2.353248 2.448763 -0.960231 -0.819571 2.513650 2.331147 2.442432 -1.096252 -0.807625 -1.105073 -1.112560 -0.629376 -0.985166 -0.998289 -1.034971 -0.972973 -1.025986 -0.629487 -0.986735 -0.980599 -0.799437 -1.022355 -1.025494 -1.059256 -0.835486 -0.923777 -0.942431 -0.914668 -0.950116 -0.962782 2.296185 -0.800461 -0.901300 -0.955136 -0.961517 -0.833329 0.034471 0.034631 1.935864 -0.967397 1.961096 1.840607 1.851916 1.850230 1.928615 -0.879285 -0.701895 1.956014 1.836771 1.927765 -0.764803 -0.656538 -0.777631 -0.773800 -0.760439 -0.752081 -0.924404 -0.794944 -0.891485 -0.794591 -0.756951 -0.725454 -0.728951 -0.675946 -0.790541 -0.967535 -0.898737 -0.720827 -0.770423 -0.765581 -0.761637 -0.767781 -0.795345 1.676904 -0.676644 -0.756140 -0.791510 -0.791857 -0.722355 0.268233 0.269494 2.044073 -0.953015 2.051303 1.936222 1.940394 1.951447 2.014550 -0.847727 -0.683281 2.068540 1.941722 2.047967 -0.850795 -0.705760 -0.823936 -0.820598 -0.811153 -0.839748 -0.895869 -0.893121 -0.864910 -0.883525 -0.785004 -0.857217 -0.828178 -0.653625 -0.873385 -0.984224 -0.957340 -0.709797 -0.786625 -0.824124 -0.766316 -0.828449 -0.855459 1.683260 -0.653706 -0.760638 -0.821948 -0.854803 -0.706525 0.327508 0.373816 -11.31288496 3.81303751 1.83039932 12.07770602 -17.90903483 -38.48200698 -17.78791473 -14.04584293 6.81977346 31.95487776 -298.7461 333.4258 -46.1234 -327.9324 -31.7120 -371.0881 Jun19-2024 18:20:20 Nodes: 1 Procs: 1 Jun19-2024 18:20:23 Nodes: 1 Procs: 1 0 Jun19-2024 18:20:27 Nodes: 1 Procs: 1 Jun19-2024 18:20:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 18:20:33 Nodes: 1 Procs: 1 Jun19-2024 18:20:36 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 18:20:41 Nodes: 1 Procs: 1 Jun19-2024 18:20:42 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 18:20:44 Nodes: 1 Procs: 1 Jun19-2024 18:20:47 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 18:20:53 Nodes: 1 Procs: 5 *** (NO TITLE) *** -5 -13.04485425 -13.34788999 -13.44167411 -13.49107374 -13.52074673 -13.56426842 -13.57177050 -13.57548881 -13.58544531 -13.58758096 -13.58895519 -13.59281526 -13.59347970 -13.59518873 -13.59578722 -13.59667615 -13.59733878 -13.59774768 -13.59818497 -13.59922748 -13.60029302 -13.60208807 -13.60501878 -13.59383819 -13.60399029 -13.60321486 -13.60726755 -13.60978309 -13.60904200 -13.61224658 -13.61543803 -13.61821237 -13.61095618 -13.61941342 -13.61992410 -13.62089378 -13.62130585 -13.62201890 -13.62237181 -13.62357905 -13.62577103 -13.62672408 -13.63009744 -13.63390684 -13.63491325 -13.63548554 -13.63588469 -13.63640165 -13.63651007 -13.63670893 -13.63680003 -13.63697246 -13.63708047 -13.63715077 -13.63718763 -13.63721251 -13.63721927 -13.63722000 -13.63721841 -13.63722041 -13.63722949 -13.63723631 GEOMETRY CONVERGED