ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:20:59 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.05 2.47 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun10-2024 16:20:59 Nodes: 1 Procs: 1 Jun10-2024 16:21:02 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:21:07 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.06 2.52 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 16:20:59 Nodes: 1 Procs: 1 Jun10-2024 16:21:02 Nodes: 1 Procs: 1 0 Jun10-2024 16:21:07 Nodes: 1 Procs: 1 Jun10-2024 16:21:09 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:21:13 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.59 0.06 2.63 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 16:20:59 Nodes: 1 Procs: 1 Jun10-2024 16:21:02 Nodes: 1 Procs: 1 0 Jun10-2024 16:21:07 Nodes: 1 Procs: 1 Jun10-2024 16:21:09 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:21:13 Nodes: 1 Procs: 1 Jun10-2024 16:21:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:21:19 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.94 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 16:20:59 Nodes: 1 Procs: 1 Jun10-2024 16:21:02 Nodes: 1 Procs: 1 0 Jun10-2024 16:21:07 Nodes: 1 Procs: 1 Jun10-2024 16:21:09 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:21:13 Nodes: 1 Procs: 1 Jun10-2024 16:21:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:21:19 Nodes: 1 Procs: 1 Jun10-2024 16:21:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:21:24 Hydrogen (TZP) c3-6 c3-6 c3-6 c3-6 c3-6 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.58 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 16:20:59 Nodes: 1 Procs: 1 Jun10-2024 16:21:02 Nodes: 1 Procs: 1 0 Jun10-2024 16:21:07 Nodes: 1 Procs: 1 Jun10-2024 16:21:09 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:21:13 Nodes: 1 Procs: 1 Jun10-2024 16:21:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:21:19 Nodes: 1 Procs: 1 Jun10-2024 16:21:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 16:21:24 Nodes: 1 Procs: 1 Jun10-2024 16:21:27 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:21:34 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2193.7381999999993 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231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 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 -6.274 -6.211 -6.205 -6.164 -6.117 -6.100 -6.059 -6.010 -5.824 -5.775 -3.444 -3.201 -2.984 -2.924 -2.819 -2.797 -2.728 -2.658 -2.573 -2.538 A A A A A A A A A A A A A A A A A A A A 0.00000000077586 0.00039434796392 0.00023772091930 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 42 42 42 42 42 42 33 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 8 8 8 8 8 8 8 8 1 0.085023 -2.612311 2.529901 -2.684279 -2.493118 -0.118348 -2.492166 -0.237508 -2.738122 -2.503471 0.140382 2.656094 2.547242 -0.161452 2.569115 2.519183 -0.014022 -2.659206 -0.075033 -0.080077 -0.081321 0.129116 2.519188 -2.510983 -0.065178 2.580008 2.499336 2.446955 -2.612875 -0.004863 2.623746 2.519418 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0.235501 -3.783574 3.686639 -0.206001 -3.940293 -3.621126 0.275885 -3.857850 0.368877 -3.642712 -3.723964 -0.207853 3.836447 3.711452 0.203281 3.802326 -0.634184 -3.427975 -1.214972 1 3 -3 0.085023 -2.612311 2.529901 Rho 0.1240649E+06 3,-3 2 3 -3 -2.684279 -2.493118 -0.118348 Rho 0.1240649E+06 3,-3 3 3 -3 -2.492166 -0.237508 -2.738122 Rho 0.1240647E+06 3,-3 4 3 -3 -2.503471 0.140382 2.656094 Rho 0.1240649E+06 3,-3 5 3 -3 2.547242 -0.161452 2.569115 Rho 0.1240650E+06 3,-3 6 3 -3 2.519183 -0.014022 -2.659206 Rho 0.1240648E+06 3,-3 7 3 -3 -0.075033 -0.080077 -0.081321 Rho 0.4276087E+05 3,-3 8 3 -3 0.129116 2.519188 -2.510983 Rho 0.4361414E+07 3,-3 9 3 -3 -0.065178 2.580008 2.499336 Rho 0.4361414E+07 3,-3 10 3 -3 2.446955 -2.612875 -0.004863 Rho 0.4361414E+07 3,-3 11 3 -3 2.623746 2.519418 -0.132135 Rho 0.4361415E+07 3,-3 12 3 -3 -2.582232 2.448456 0.086193 Rho 0.4361414E+07 3,-3 13 3 -3 0.932559 -1.055209 0.901506 Rho 0.3190237E+03 3,-3 14 3 -3 -1.074310 -1.029282 -1.055496 Rho 0.3191036E+03 3,-3 15 3 -3 0.963735 0.912813 -1.022385 Rho 0.3190255E+03 3,-3 16 3 -3 -0.961300 0.956950 0.969840 Rho 0.3190106E+03 3,-3 17 3 -3 -2.996106 -1.133595 1.164376 Rho 0.3190208E+03 3,-3 18 3 -3 3.008125 -1.164792 -1.143589 Rho 0.3188809E+03 3,-3 19 3 -3 -3.014174 1.122948 -1.081889 Rho 0.3190431E+03 3,-3 20 3 -3 2.991846 1.194842 1.199132 Rho 0.3189051E+03 3,-3 21 3 -3 1.359409 -1.137329 -3.308428 Rho 0.3194803E+03 3,-3 22 3 -3 1.098643 1.156350 2.993681 Rho 0.3189369E+03 3,-3 23 3 -3 -1.135832 1.137796 -3.014085 Rho 0.3188896E+03 3,-3 24 3 -3 -1.165327 -1.144016 3.061128 Rho 0.3190192E+03 3,-3 25 3 -3 -1.139090 2.980129 -1.114677 Rho 0.3188588E+03 3,-3 26 3 -3 -1.192456 -3.008311 1.231820 Rho 0.3190590E+03 3,-3 27 3 -3 1.146174 3.047571 1.147198 Rho 0.3188974E+03 3,-3 28 3 -3 1.190804 -3.252862 -1.075160 Rho 0.3192399E+03 3,-3 29 3 -3 3.385598 -1.477473 1.562930 Rho 0.3191172E+03 3,-3 30 3 -3 -3.482457 -1.582077 -1.577168 Rho 0.3190611E+03 3,-3 31 3 -3 3.466080 1.575094 -1.460611 Rho 0.3190693E+03 3,-3 32 3 -3 -3.427443 1.488094 1.577566 Rho 0.3190084E+03 3,-3 33 3 -3 1.449105 -1.474361 3.449078 Rho 0.3190707E+03 3,-3 34 3 -3 1.550383 1.576785 -3.407135 Rho 0.3189860E+03 3,-3 35 3 -3 -1.514042 1.538446 3.468505 Rho 0.3190429E+03 3,-3 36 3 -3 -1.832048 -1.445550 -3.810624 Rho 0.3194285E+03 3,-3 37 3 -3 -1.602703 -3.675598 -1.232472 Rho 0.3188019E+03 3,-3 38 3 -3 -1.530471 3.378249 1.541704 Rho 0.3189626E+03 3,-3 39 3 -3 1.554106 -3.424981 1.607356 Rho 0.3190228E+03 3,-3 40 3 -3 1.498251 3.422475 -1.462113 Rho 0.3189337E+03 3,-3 41 3 -3 -0.224893 -3.774432 3.779092 Rho 0.3194344E+03 3,-3 42 3 -3 3.891873 -0.145722 -3.729760 Rho 0.3193817E+03 3,-3 43 3 -3 -0.209190 3.750251 -3.696981 Rho 0.3193063E+03 3,-3 44 3 -3 0.242491 3.780576 3.728550 Rho 0.3192837E+03 3,-3 45 3 -3 3.777916 -3.741108 -0.178722 Rho 0.3192579E+03 3,-3 46 3 -3 3.782749 3.770097 0.235501 Rho 0.3192868E+03 3,-3 47 3 -3 -3.783574 3.686639 -0.206001 Rho 0.3192696E+03 3,-3 48 3 -3 -3.940293 -3.621126 0.275885 Rho 0.3194421E+03 3,-3 49 3 -3 -3.857850 0.368877 -3.642712 Rho 0.3193909E+03 3,-3 50 3 -3 -3.723964 -0.207853 3.836447 Rho 0.3194349E+03 3,-3 51 3 -3 3.711452 0.203281 3.802326 Rho 0.3194237E+03 3,-3 52 3 -3 -0.634184 -3.427975 -1.214972 Rho 0.4380377E+00 3,-3 53 3 +3 0.782214 -1.438059 -1.547424 Rho 0.3042356E-02 |GRAD(Rho)| 0.4435620E-13 GRAD(Rho)x 0.1939960E-13 GRAD(Rho)y -0.3249658E-13 GRAD(Rho)z 0.2313223E-13 Laplacian 0.1187268E-01 (-1/4)Del**2(Rho)) -0.2968170E-02 Diamond 0.6320035E-04 Metallicity 0.3707501E+00 Ellipticity -0.8335996E+00 Gb(Abramov) 0.2162188E-02 Vb(Abramov) -0.1356206E-02 Hb(Abramov) 0.8059817E-03 Ex_ueg -0.3255856E-03 Ec_ueg -0.6366535E-04 Delta_ex -0.3961702E-03 Delta_ec 0.1201005E-03 Delta_et -0.6667443E-03 Pxc 0.5114016E+01 Qxc -0.3298655E+01 3,+3 54 3 -1 0.042985 -2.164145 -1.001502 Rho 0.6655692E-02 |GRAD(Rho)| 0.1020692E-16 GRAD(Rho)x -0.1020682E-16 GRAD(Rho)y -0.4507535E-19 GRAD(Rho)z -0.4317094E-20 Laplacian 0.2570933E-01 (-1/4)Del**2(Rho)) -0.6427332E-02 Diamond 0.1001746E-02 Metallicity 0.6312157E+00 Ellipticity 0.2704986E+01 Gb(Abramov) 0.4961060E-02 Vb(Abramov) -0.3494788E-02 Hb(Abramov) 0.1466272E-02 Ex_ueg -0.9246471E-03 Ec_ueg -0.2188453E-03 Delta_ex -0.1428949E-02 Delta_ec 0.9462790E-03 Delta_et -0.5545710E-02 Pxc 0.4225117E+01 Qxc -0.1510071E+01 3,-1 55 3 -1 -1.751012 -0.613523 -1.855234 Rho 0.5053642E-01 |GRAD(Rho)| 0.3844880E-15 GRAD(Rho)x -0.1757674E-15 GRAD(Rho)y 0.8561386E-16 GRAD(Rho)z -0.3310696E-15 Laplacian 0.2063641E+00 (-1/4)Del**2(Rho)) -0.5159102E-01 Diamond 0.1103903E+00 Metallicity 0.2306676E+01 Ellipticity 0.1030076E-01 Gb(Abramov) 0.5422798E-01 Vb(Abramov) -0.5686493E-01 Hb(Abramov) -0.2636952E-02 Ex_ueg -0.1379932E-01 Ec_ueg -0.2444547E-02 Delta_ex -0.1721265E-01 Delta_ec 0.6470766E-02 Delta_et -0.6851787E-01 Pxc 0.5644940E+01 Qxc -0.2660064E+01 3,-1 56 3 -1 -1.898030 -2.745815 0.586299 Rho 0.9461382E-01 |GRAD(Rho)| 0.3743422E-15 GRAD(Rho)x -0.3022214E-15 GRAD(Rho)y 0.1095434E-15 GRAD(Rho)z -0.1918191E-15 Laplacian 0.3827865E+00 (-1/4)Del**2(Rho)) -0.9569663E-01 Diamond 0.4422057E+00 Metallicity 0.3536558E+01 Ellipticity 0.1488706E-01 Gb(Abramov) 0.1202039E+00 Vb(Abramov) -0.1447111E+00 Hb(Abramov) -0.2450724E-01 Ex_ueg -0.3184133E-01 Ec_ueg -0.4999948E-02 Delta_ex -0.3677042E-01 Delta_ec 0.1070211E-01 Delta_et -0.1313508E+00 Pxc 0.6368332E+01 Qxc -0.3435812E+01 3,-1 57 3 +1 0.161414 -0.189652 2.985401 Rho 0.5604403E-02 |GRAD(Rho)| 0.9219764E-14 GRAD(Rho)x 0.8663945E-14 GRAD(Rho)y -0.1042447E-14 GRAD(Rho)z 0.2975467E-14 Laplacian 0.2328421E-01 (-1/4)Del**2(Rho)) -0.5821054E-02 Diamond 0.5697650E-03 Metallicity 0.5233199E+00 Ellipticity -0.2086316E+01 Gb(Abramov) 0.4388415E-02 Vb(Abramov) -0.2955776E-02 Hb(Abramov) 0.1432639E-02 Ex_ueg -0.7352317E-03 Ec_ueg -0.1730148E-03 Delta_ex -0.1133192E-02 Delta_ec 0.6430922E-03 Delta_et -0.3650060E-02 Pxc 0.4249532E+01 Qxc -0.1762100E+01 3,+1 58 3 +1 -1.686353 0.494726 -0.543961 Rho 0.9812028E-02 |GRAD(Rho)| 0.5021925E-13 GRAD(Rho)x -0.2799221E-13 GRAD(Rho)y -0.1163520E-13 GRAD(Rho)z -0.4003787E-13 Laplacian 0.3704959E-01 (-1/4)Del**2(Rho)) -0.9262398E-02 Diamond 0.1219577E-02 Metallicity 0.8364262E+00 Ellipticity -0.1588832E+01 Gb(Abramov) 0.7466151E-02 Vb(Abramov) -0.5669904E-02 Hb(Abramov) 0.1796247E-02 Ex_ueg -0.1551422E-02 Ec_ueg -0.3595307E-03 Delta_ex -0.1762725E-02 Delta_ec 0.5434185E-03 Delta_et -0.3824598E-02 Pxc 0.4315132E+01 Qxc -0.3243770E+01 3,+1 59 3 -1 -3.231140 3.117124 -0.070771 Rho 0.2360168E+00 |GRAD(Rho)| 0.8258073E-15 GRAD(Rho)x -0.4634422E-15 GRAD(Rho)y 0.6685191E-15 GRAD(Rho)z -0.1423422E-15 Laplacian 0.8726425E+00 (-1/4)Del**2(Rho)) -0.2181606E+00 Diamond 0.3012446E+01 Metallicity 0.7117840E+01 Ellipticity 0.8778565E-02 Gb(Abramov) 0.4042458E+00 Vb(Abramov) -0.5903310E+00 Hb(Abramov) -0.1860852E+00 Ex_ueg -0.1077231E+00 Ec_ueg -0.1416420E-01 Delta_ex -0.1049066E+00 Delta_ec 0.1925342E-01 Delta_et -0.2660149E+00 Pxc 0.7605309E+01 Qxc -0.5448726E+01 3,-1 60 3 +1 -0.305969 -1.028701 -2.762469 Rho 0.3097778E-02 |GRAD(Rho)| 0.1657910E-17 GRAD(Rho)x -0.1273041E-17 GRAD(Rho)y 0.5129199E-18 GRAD(Rho)z 0.9300246E-18 Laplacian 0.1248811E-01 (-1/4)Del**2(Rho)) -0.3122027E-02 Diamond 0.1124897E-03 Metallicity 0.3632456E+00 Ellipticity -0.1286628E+01 Gb(Abramov) 0.2270362E-02 Vb(Abramov) -0.1418697E-02 Hb(Abramov) 0.8516654E-03 Ex_ueg -0.3335176E-03 Ec_ueg -0.6599398E-04 Delta_ex -0.4965462E-03 Delta_ec 0.2656099E-03 Delta_et -0.1301387E-02 Pxc 0.5053759E+01 Qxc -0.1869456E+01 3,+1 61 3 -1 -3.085858 -2.001503 -0.893468 Rho 0.1518073E+00 |GRAD(Rho)| 0.6855931E-13 GRAD(Rho)x 0.2947196E-13 GRAD(Rho)y 0.5084427E-13 GRAD(Rho)z -0.3530783E-13 Laplacian 0.5809094E+00 (-1/4)Del**2(Rho)) -0.1452274E+00 Diamond 0.1188502E+01 Metallicity 0.5124589E+01 Ellipticity 0.8420884E-01 Gb(Abramov) 0.2208567E+00 Vb(Abramov) -0.2964860E+00 Hb(Abramov) -0.7562931E-01 Ex_ueg -0.5981019E-01 Ec_ueg -0.8559306E-02 Delta_ex -0.6251173E-01 Delta_ec 0.1459420E-01 Delta_et -0.1943622E+00 Pxc 0.6987738E+01 Qxc -0.4283327E+01 3,-1 62 3 +3 -1.120822 -1.119871 1.167030 Rho 0.5092301E-02 |GRAD(Rho)| 0.7134079E-14 GRAD(Rho)x 0.2707280E-14 GRAD(Rho)y 0.5614209E-14 GRAD(Rho)z -0.3470790E-14 Laplacian 0.1975880E-01 (-1/4)Del**2(Rho)) -0.4939700E-02 Diamond 0.1428831E-03 Metallicity 0.5256653E+00 Ellipticity -0.2058559E+00 Gb(Abramov) 0.3725905E-02 Vb(Abramov) -0.2512110E-02 Hb(Abramov) 0.1213795E-02 Ex_ueg -0.6470489E-03 Ec_ueg -0.1508870E-03 Delta_ex -0.6873983E-03 Delta_ec 0.8930279E-04 Delta_et -0.7026633E-03 Pxc 0.4288300E+01 Qxc -0.7697389E+01 3,+3 63 3 -1 -2.994080 -0.939466 -2.114164 Rho 0.1081289E+00 |GRAD(Rho)| 0.1934137E-13 GRAD(Rho)x 0.6902621E-14 GRAD(Rho)y 0.1220181E-13 GRAD(Rho)z -0.1332510E-13 Laplacian 0.4073156E+00 (-1/4)Del**2(Rho)) -0.1018289E+00 Diamond 0.5624884E+00 Metallicity 0.4151948E+01 Ellipticity 0.3097261E-01 Gb(Abramov) 0.1383507E+00 Vb(Abramov) -0.1748724E+00 Hb(Abramov) -0.3652176E-01 Ex_ueg -0.3804588E-01 Ec_ueg -0.5820051E-02 Delta_ex -0.4051703E-01 Delta_ec 0.1132259E-01 Delta_et -0.1430182E+00 Pxc 0.6537035E+01 Qxc -0.3578422E+01 3,-1 64 3 +1 -2.914077 -0.312722 -0.301907 Rho 0.5752863E-02 |GRAD(Rho)| 0.1285524E-15 GRAD(Rho)x 0.2574290E-16 GRAD(Rho)y -0.1029205E-15 GRAD(Rho)z -0.7259741E-16 Laplacian 0.2393886E-01 (-1/4)Del**2(Rho)) -0.5984716E-02 Diamond 0.4871973E-03 Metallicity 0.5316792E+00 Ellipticity -0.1442990E+01 Gb(Abramov) 0.4520135E-02 Vb(Abramov) -0.3055555E-02 Hb(Abramov) 0.1464580E-02 Ex_ueg -0.7613139E-03 Ec_ueg -0.1794541E-03 Delta_ex -0.1079227E-02 Delta_ec 0.4967392E-03 Delta_et -0.2915661E-02 Pxc 0.4242389E+01 Qxc -0.2172623E+01 3,+1 65 3 -1 -1.735904 1.668964 0.519647 Rho 0.4984443E-01 |GRAD(Rho)| 0.6760566E-14 GRAD(Rho)x 0.5250226E-14 GRAD(Rho)y 0.5846281E-15 GRAD(Rho)z -0.4218839E-14 Laplacian 0.1989834E+00 (-1/4)Del**2(Rho)) -0.4974584E-01 Diamond 0.9956209E-01 Metallicity 0.2337890E+01 Ellipticity 0.1706026E-01 Gb(Abramov) 0.5254728E-01 Vb(Abramov) -0.5534871E-01 Hb(Abramov) -0.2801437E-02 Ex_ueg -0.1354796E-01 Ec_ueg -0.2406276E-02 Delta_ex -0.1632781E-01 Delta_ec 0.5860932E-02 Delta_et -0.6173287E-01 Pxc 0.5630259E+01 Qxc -0.2785873E+01 3,-1 66 3 -1 -2.928564 0.027766 0.077110 Rho 0.6212707E-02 |GRAD(Rho)| 0.4747677E-17 GRAD(Rho)x 0.6101857E-18 GRAD(Rho)y 0.3362404E-17 GRAD(Rho)z -0.3295808E-17 Laplacian 0.2480237E-01 (-1/4)Del**2(Rho)) -0.6200591E-02 Diamond 0.9059067E-03 Metallicity 0.5833398E+00 Ellipticity 0.1254387E+01 Gb(Abramov) 0.4736569E-02 Vb(Abramov) -0.3272548E-02 Hb(Abramov) 0.1464022E-02 Ex_ueg -0.8435152E-03 Ec_ueg -0.1994681E-03 Delta_ex -0.1378048E-02 Delta_ec 0.9439303E-03 Delta_et -0.5407112E-02 Pxc 0.4228822E+01 Qxc -0.1459905E+01 3,-1 67 3 +1 -2.921902 0.196207 0.262705 Rho 0.6139628E-02 |GRAD(Rho)| 0.9263405E-17 GRAD(Rho)x 0.7212358E-19 GRAD(Rho)y -0.9114132E-17 GRAD(Rho)z 0.1654709E-17 Laplacian 0.2571064E-01 (-1/4)Del**2(Rho)) -0.6427660E-02 Diamond 0.7040641E-03 Metallicity 0.5517432E+00 Ellipticity -0.2235694E+01 Gb(Abramov) 0.4876177E-02 Vb(Abramov) -0.3324693E-02 Hb(Abramov) 0.1551484E-02 Ex_ueg -0.8303116E-03 Ec_ueg -0.1962805E-03 Delta_ex -0.1269876E-02 Delta_ec 0.7008679E-03 Delta_et -0.4090586E-02 Pxc 0.4230229E+01 Qxc -0.1811862E+01 3,+1 68 3 -1 -2.744365 -0.527869 1.868342 Rho 0.1080507E+00 |GRAD(Rho)| 0.2942483E-12 GRAD(Rho)x 0.3648336E-13 GRAD(Rho)y 0.1767855E-12 GRAD(Rho)z 0.2323745E-12 Laplacian 0.4434093E+00 (-1/4)Del**2(Rho)) -0.1108523E+00 Diamond 0.6009069E+00 Metallicity 0.3809380E+01 Ellipticity 0.5557127E-02 Gb(Abramov) 0.1442813E+00 Vb(Abramov) -0.1777103E+00 Hb(Abramov) -0.3342899E-01 Ex_ueg -0.3800917E-01 Ec_ueg -0.5815262E-02 Delta_ex -0.4393187E-01 Delta_ec 0.1202794E-01 Delta_et -0.1514952E+00 Pxc 0.6536107E+01 Qxc -0.3652484E+01 3,-1 69 3 -1 -1.704382 0.537766 1.777860 Rho 0.4165362E-01 |GRAD(Rho)| 0.2961227E-12 GRAD(Rho)x 0.2228794E-12 GRAD(Rho)y 0.1685385E-12 GRAD(Rho)z -0.9802142E-13 Laplacian 0.1719187E+00 (-1/4)Del**2(Rho)) -0.4297968E-01 Diamond 0.6928797E-01 Metallicity 0.2006218E+01 Ellipticity 0.1175054E-01 Gb(Abramov) 0.4302421E-01 Vb(Abramov) -0.4306875E-01 Hb(Abramov) -0.4453778E-04 Ex_ueg -0.1066405E-01 Ec_ueg -0.1958997E-02 Delta_ex -0.1359064E-01 Delta_ec 0.5256757E-02 Delta_et -0.5283344E-01 Pxc 0.5443628E+01 Qxc -0.2585366E+01 3,-1 70 3 -1 -3.222784 0.086190 -3.219346 Rho 0.2219402E+00 |GRAD(Rho)| 0.1190619E-14 GRAD(Rho)x 0.5546778E-15 GRAD(Rho)y -0.7858297E-15 GRAD(Rho)z 0.7016956E-15 Laplacian 0.8188288E+00 (-1/4)Del**2(Rho)) -0.2047072E+00 Diamond 0.2638641E+01 Metallicity 0.6846680E+01 Ellipticity 0.1998366E-01 Gb(Abramov) 0.3700656E+00 Vb(Abramov) -0.5354239E+00 Hb(Abramov) -0.1653584E+00 Ex_ueg -0.9924296E-01 Ec_ueg -0.1319963E-01 Delta_ex -0.9695593E-01 Delta_ec 0.1853536E-01 Delta_et -0.2559782E+00 Pxc 0.7518615E+01 Qxc -0.5230865E+01 3,-1 71 3 +1 -1.769883 -1.735282 1.800436 Rho 0.1191651E-01 |GRAD(Rho)| 0.1236820E-16 GRAD(Rho)x -0.5635784E-17 GRAD(Rho)y -0.1801199E-17 GRAD(Rho)z -0.1086121E-16 Laplacian 0.5888255E-01 (-1/4)Del**2(Rho)) -0.1472064E-01 Diamond 0.2317235E-02 Metallicity 0.7275704E+00 Ellipticity -0.1252436E+01 Gb(Abramov) 0.1159881E-01 Vb(Abramov) -0.8476980E-02 Hb(Abramov) 0.3121829E-02 Ex_ueg -0.2010252E-02 Ec_ueg -0.4557162E-03 Delta_ex -0.2883262E-02 Delta_ec 0.7540274E-03 Delta_et -0.5652219E-02 Pxc 0.4411193E+01 Qxc -0.3823816E+01 3,+1 72 3 -1 -3.155779 -0.045068 3.286243 Rho 0.2297109E+00 |GRAD(Rho)| 0.1016870E-14 GRAD(Rho)x -0.5539189E-15 GRAD(Rho)y -0.2817841E-15 GRAD(Rho)z 0.8048575E-15 Laplacian 0.8302133E+00 (-1/4)Del**2(Rho)) -0.2075533E+00 Diamond 0.2795097E+01 Metallicity 0.7151429E+01 Ellipticity 0.1853905E-02 Gb(Abramov) 0.3857527E+00 Vb(Abramov) -0.5639520E+00 Hb(Abramov) -0.1781994E+00 Ex_ueg -0.1039028E+00 Ec_ueg -0.1373076E-01 Delta_ex -0.9922274E-01 Delta_ec 0.1867506E-01 Delta_et -0.2586382E+00 Pxc 0.7567156E+01 Qxc -0.5313116E+01 3,-1 73 3 -1 -2.751646 0.471917 -1.866657 Rho 0.6896374E-01 |GRAD(Rho)| 0.1464612E-15 GRAD(Rho)x -0.2964531E-16 GRAD(Rho)y 0.8384017E-16 GRAD(Rho)z 0.1163739E-15 Laplacian 0.2924444E+00 (-1/4)Del**2(Rho)) -0.7311109E-01 Diamond 0.2321000E+00 Metallicity 0.2732780E+01 Ellipticity 0.7899079E-02 Gb(Abramov) 0.8204015E-01 Vb(Abramov) -0.9096920E-01 Hb(Abramov) -0.8929053E-02 Ex_ueg -0.2088717E-01 Ec_ueg -0.3487233E-02 Delta_ex -0.2619848E-01 Delta_ec 0.8820736E-02 Delta_et -0.1010062E+00 Pxc 0.5989609E+01 Qxc -0.2970101E+01 3,-1 74 3 -1 -2.971986 0.849155 2.071702 Rho 0.1300666E+00 |GRAD(Rho)| 0.2345947E-15 GRAD(Rho)x 0.1164162E-16 GRAD(Rho)y -0.5024599E-16 GRAD(Rho)z 0.2288547E-15 Laplacian 0.5099388E+00 (-1/4)Del**2(Rho)) -0.1274847E+00 Diamond 0.8596747E+00 Metallicity 0.4512025E+01 Ellipticity 0.5688928E-01 Gb(Abramov) 0.1808588E+00 Vb(Abramov) -0.2342329E+00 Hb(Abramov) -0.5337412E-01 Ex_ueg -0.4867128E-01 Ec_ueg -0.7179980E-02 Delta_ex -0.5276117E-01 Delta_ec 0.1315812E-01 Delta_et -0.1709891E+00 Pxc 0.6778749E+01 Qxc -0.4009781E+01 3,-1 75 3 +1 -1.752960 1.689804 -1.738951 Rho 0.1134226E-01 |GRAD(Rho)| 0.1135076E-16 GRAD(Rho)x 0.1068851E-16 GRAD(Rho)y 0.1323898E-17 GRAD(Rho)z -0.3583671E-17 Laplacian 0.5531744E-01 (-1/4)Del**2(Rho)) -0.1382936E-01 Diamond 0.2079813E-02 Metallicity 0.7132644E+00 Ellipticity -0.1283679E+01 Gb(Abramov) 0.1086357E-01 Vb(Abramov) -0.7897784E-02 Hb(Abramov) 0.2965788E-02 Ex_ueg -0.1882137E-02 Ec_ueg -0.4292913E-03 Delta_ex -0.2687796E-02 Delta_ec 0.7336313E-03 Delta_et -0.5413142E-02 Pxc 0.4384290E+01 Qxc -0.3663688E+01 3,+1 76 3 +1 -0.655067 -1.700315 0.489068 Rho 0.8620291E-02 |GRAD(Rho)| 0.1161113E-16 GRAD(Rho)x -0.8808249E-18 GRAD(Rho)y 0.3089473E-17 GRAD(Rho)z 0.1115786E-16 Laplacian 0.3265736E-01 (-1/4)Del**2(Rho)) -0.8164341E-02 Diamond 0.9078983E-03 Metallicity 0.7647191E+00 Ellipticity -0.1525592E+01 Gb(Abramov) 0.6483465E-02 Vb(Abramov) -0.4802589E-02 Hb(Abramov) 0.1680876E-02 Ex_ueg -0.1305412E-02 Ec_ueg -0.3058881E-03 Delta_ex -0.1506790E-02 Delta_ec 0.4845099E-03 Delta_et -0.3293342E-02 Pxc 0.4267613E+01 Qxc -0.3109927E+01 3,+1 77 3 -1 -2.827238 -1.773729 0.565625 Rho 0.1476690E+00 |GRAD(Rho)| 0.1066094E-13 GRAD(Rho)x -0.5491850E-14 GRAD(Rho)y -0.9114346E-14 GRAD(Rho)z -0.6510905E-15 Laplacian 0.6114346E+00 (-1/4)Del**2(Rho)) -0.1528587E+00 Diamond 0.1191319E+01 Metallicity 0.4649560E+01 Ellipticity 0.2950470E-01 Gb(Abramov) 0.2203600E+00 Vb(Abramov) -0.2878614E+00 Hb(Abramov) -0.6750136E-01 Ex_ueg -0.5764620E-01 Ec_ueg -0.8294461E-02 Delta_ex -0.6515942E-01 Delta_ec 0.1512598E-01 Delta_et -0.1999044E+00 Pxc 0.6949963E+01 Qxc -0.4307782E+01 3,-1 78 3 +3 0.038817 -0.087064 2.265329 Rho 0.4470208E-02 |GRAD(Rho)| 0.7974258E-11 GRAD(Rho)x 0.5189077E-11 GRAD(Rho)y 0.4855068E-11 GRAD(Rho)z -0.3618092E-11 Laplacian 0.1831745E-01 (-1/4)Del**2(Rho)) -0.4579362E-02 Diamond 0.1425959E-03 Metallicity 0.4563462E+00 Ellipticity -0.3942281E+00 Gb(Abramov) 0.3401204E-02 Vb(Abramov) -0.2223045E-02 Hb(Abramov) 0.1178158E-02 Ex_ueg -0.5438620E-03 Ec_ueg -0.1241854E-03 Delta_ex -0.6489731E-03 Delta_ec 0.1439320E-03 Delta_et -0.9326868E-03 Pxc 0.4379435E+01 Qxc -0.4508888E+01 3,+3 79 3 +1 0.545040 0.428228 1.647617 Rho 0.7863661E-02 |GRAD(Rho)| 0.5886231E-17 GRAD(Rho)x -0.2399423E-17 GRAD(Rho)y -0.4994316E-17 GRAD(Rho)z 0.1986779E-17 Laplacian 0.3100878E-01 (-1/4)Del**2(Rho)) -0.7752195E-02 Diamond 0.7466963E-03 Metallicity 0.6910399E+00 Ellipticity -0.1416247E+01 Gb(Abramov) 0.6060976E-02 Vb(Abramov) -0.4369757E-02 Hb(Abramov) 0.1691219E-02 Ex_ueg -0.1154919E-02 Ec_ueg -0.2721557E-03 Delta_ex -0.1391139E-02 Delta_ec 0.4473172E-03 Delta_et -0.2978482E-02 Pxc 0.4243596E+01 Qxc -0.3109960E+01 3,+1 80 3 +1 -2.013157 1.984626 2.046761 Rho 0.1235918E-01 |GRAD(Rho)| 0.4446002E-11 GRAD(Rho)x 0.1136533E-11 GRAD(Rho)y 0.4074156E-11 GRAD(Rho)z -0.1369846E-11 Laplacian 0.5795728E-01 (-1/4)Del**2(Rho)) -0.1448932E-01 Diamond 0.1858644E-02 Metallicity 0.7855149E+00 Ellipticity -0.1097220E+01 Gb(Abramov) 0.1155648E-01 Vb(Abramov) -0.8623632E-02 Hb(Abramov) 0.2932844E-02 Ex_ueg -0.2110431E-02 Ec_ueg -0.4761752E-03 Delta_ex -0.2715657E-02 Delta_ec 0.4747008E-03 Delta_et -0.3795104E-02 Pxc 0.4432047E+01 Qxc -0.5720776E+01 3,+1 81 3 -1 -2.138251 -0.884043 -3.308258 Rho 0.2224237E+00 |GRAD(Rho)| 0.3617798E-10 GRAD(Rho)x 0.1376384E-10 GRAD(Rho)y -0.2510631E-10 GRAD(Rho)z -0.2211505E-10 Laplacian 0.8498052E+00 (-1/4)Del**2(Rho)) -0.2124513E+00 Diamond 0.2713910E+01 Metallicity 0.6621079E+01 Ellipticity 0.1732990E-01 Gb(Abramov) 0.3760770E+00 Vb(Abramov) -0.5397027E+00 Hb(Abramov) -0.1636257E+00 Ex_ueg -0.9953131E-01 Ec_ueg -0.1323258E-01 Delta_ex -0.1004935E+00 Delta_ec 0.1889085E-01 Delta_et -0.2595844E+00 Pxc 0.7521686E+01 Qxc -0.5319693E+01 3,-1 82 3 +1 -2.253764 -1.150675 -1.447802 Rho 0.2861462E-01 |GRAD(Rho)| 0.1852463E-15 GRAD(Rho)x -0.1099300E-15 GRAD(Rho)y 0.3400279E-16 GRAD(Rho)z -0.1451736E-15 Laplacian 0.1173435E+00 (-1/4)Del**2(Rho)) -0.2933587E-01 Diamond 0.1898814E-01 Metallicity 0.1572054E+01 Ellipticity -0.4122393E+01 Gb(Abramov) 0.2724351E-01 Vb(Abramov) -0.2515115E-01 Hb(Abramov) 0.2092360E-02 Ex_ueg -0.6464015E-02 Ec_ueg -0.1272371E-02 Delta_ex -0.7613027E-02 Delta_ec 0.2072786E-02 Delta_et -0.1889368E-01 Pxc 0.5080289E+01 Qxc -0.3672848E+01 3,+1 83 3 +1 -1.684540 -0.534644 0.540783 Rho 0.9255581E-02 |GRAD(Rho)| 0.9246717E-14 GRAD(Rho)x 0.2867617E-14 GRAD(Rho)y 0.7726828E-14 GRAD(Rho)z 0.4192217E-14 Laplacian 0.3522593E-01 (-1/4)Del**2(Rho)) -0.8806482E-02 Diamond 0.1096003E-02 Metallicity 0.7981605E+00 Ellipticity -0.1579593E+01 Gb(Abramov) 0.7042485E-02 Vb(Abramov) -0.5278489E-02 Hb(Abramov) 0.1763996E-02 Ex_ueg -0.1435236E-02 Ec_ueg -0.3344072E-03 Delta_ex -0.1661622E-02 Delta_ec 0.5350634E-03 Delta_et -0.3695468E-02 Pxc 0.4291881E+01 Qxc -0.3105468E+01 3,+1 84 3 +1 -0.535019 1.612961 -0.555139 Rho 0.9202665E-02 |GRAD(Rho)| 0.2907151E-16 GRAD(Rho)x -0.1396258E-17 GRAD(Rho)y -0.1573364E-16 GRAD(Rho)z 0.2440606E-16 Laplacian 0.3568402E-01 (-1/4)Del**2(Rho)) -0.8921005E-02 Diamond 0.1010998E-02 Metallicity 0.7804207E+00 Ellipticity -0.1438776E+01 Gb(Abramov) 0.7107693E-02 Vb(Abramov) -0.5294381E-02 Hb(Abramov) 0.1813312E-02 Ex_ueg -0.1424306E-02 Ec_ueg -0.3320250E-03 Delta_ex -0.1643502E-02 Delta_ec 0.4754179E-03 Delta_et -0.3327647E-02 Pxc 0.4289754E+01 Qxc -0.3456962E+01 3,+1 85 3 -1 -2.087576 -3.099518 -0.694327 Rho 0.1352795E+00 |GRAD(Rho)| 0.4737446E-12 GRAD(Rho)x -0.3128437E-12 GRAD(Rho)y 0.2580106E-12 GRAD(Rho)z 0.2449354E-12 Laplacian 0.4934996E+00 (-1/4)Del**2(Rho)) -0.1233749E+00 Diamond 0.8975476E+00 Metallicity 0.4977904E+01 Ellipticity 0.1250649E+00 Gb(Abramov) 0.1846080E+00 Vb(Abramov) -0.2458411E+00 Hb(Abramov) -0.6123310E-01 Ex_ueg -0.5128943E-01 Ec_ueg -0.7507960E-02 Delta_ex -0.5183953E-01 Delta_ec 0.1313108E-01 Delta_et -0.1727257E+00 Pxc 0.6831340E+01 Qxc -0.3947850E+01 3,-1 86 3 +1 -0.582241 0.488779 -1.690538 Rho 0.9379756E-02 |GRAD(Rho)| 0.7683457E-17 GRAD(Rho)x -0.5638209E-17 GRAD(Rho)y -0.4931763E-17 GRAD(Rho)z 0.1709921E-17 Laplacian 0.3628945E-01 (-1/4)Del**2(Rho)) -0.9072364E-02 Diamond 0.1120370E-02 Metallicity 0.7921705E+00 Ellipticity -0.1525351E+01 Gb(Abramov) 0.7246052E-02 Vb(Abramov) -0.5419741E-02 Hb(Abramov) 0.1826311E-02 Ex_ueg -0.1460967E-02 Ec_ueg -0.3400022E-03 Delta_ex -0.1705732E-02 Delta_ec 0.5301376E-03 Delta_et -0.3689615E-02 Pxc 0.4296935E+01 Qxc -0.3217526E+01 3,+1 87 3 +1 -2.162772 1.083124 1.385995 Rho 0.2683500E-01 |GRAD(Rho)| 0.4734370E-15 GRAD(Rho)x -0.2358855E-15 GRAD(Rho)y -0.1770494E-15 GRAD(Rho)z 0.3703433E-15 Laplacian 0.1058397E+00 (-1/4)Del**2(Rho)) -0.2645993E-01 Diamond 0.1523988E-01 Metallicity 0.1566031E+01 Ellipticity -0.3871406E+01 Gb(Abramov) 0.2454614E-01 Vb(Abramov) -0.2263234E-01 Hb(Abramov) 0.1913797E-02 Ex_ueg -0.5933631E-02 Ec_ueg -0.1181540E-02 Delta_ex -0.6706594E-02 Delta_ec 0.1792316E-02 Delta_et -0.1609665E-01 Pxc 0.5021946E+01 Qxc -0.3741858E+01 3,+1 88 3 -1 -1.968998 0.881624 3.066864 Rho 0.1516391E+00 |GRAD(Rho)| 0.8793399E-13 GRAD(Rho)x -0.2096524E-13 GRAD(Rho)y 0.8520871E-13 GRAD(Rho)z 0.5685183E-14 Laplacian 0.5889948E+00 (-1/4)Del**2(Rho)) -0.1472487E+00 Diamond 0.1196619E+01 Metallicity 0.5044914E+01 Ellipticity 0.6931409E-01 Gb(Abramov) 0.2219753E+00 Vb(Abramov) -0.2967019E+00 Hb(Abramov) -0.7472659E-01 Ex_ueg -0.5972186E-01 Ec_ueg -0.8548523E-02 Delta_ex -0.6329750E-01 Delta_ec 0.1468185E-01 Delta_et -0.1952181E+00 Pxc 0.6986220E+01 Qxc -0.4311275E+01 3,-1 89 3 +3 -1.147960 1.080144 -1.160600 Rho 0.5484535E-02 |GRAD(Rho)| 0.1930868E-14 GRAD(Rho)x -0.1312776E-14 GRAD(Rho)y 0.9676678E-15 GRAD(Rho)z -0.1033677E-14 Laplacian 0.2124182E-01 (-1/4)Del**2(Rho)) -0.5310454E-02 Diamond 0.1611713E-03 Metallicity 0.5533346E+00 Ellipticity -0.2313283E+00 Gb(Abramov) 0.4030046E-02 Vb(Abramov) -0.2749637E-02 Hb(Abramov) 0.1280408E-02 Ex_ueg -0.7143396E-03 Ec_ueg -0.1678235E-03 Delta_ex -0.7471083E-03 Delta_ec 0.8298242E-04 Delta_et -0.6975508E-03 Pxc 0.4256493E+01 Qxc -0.9003212E+01 3,+3 90 3 +3 -1.928580 1.899281 1.963529 Rho 0.1231917E-01 |GRAD(Rho)| 0.1285188E-16 GRAD(Rho)x -0.7411233E-18 GRAD(Rho)y -0.1565686E-17 GRAD(Rho)z -0.1273461E-16 Laplacian 0.5707212E-01 (-1/4)Del**2(Rho)) -0.1426803E-01 Diamond 0.1450468E-02 Metallicity 0.7933993E+00 Ellipticity -0.8624388E+00 Gb(Abramov) 0.1139873E-01 Vb(Abramov) -0.8529426E-02 Hb(Abramov) 0.2869303E-02 Ex_ueg -0.2101328E-02 Ec_ueg -0.4743232E-03 Delta_ex -0.2568070E-02 Delta_ec 0.2823218E-03 Delta_et -0.2477884E-02 Pxc 0.4430161E+01 Qxc -0.9096251E+01 3,+3 91 3 -1 -1.842616 -1.724580 -0.569657 Rho 0.4763283E-01 |GRAD(Rho)| 0.6382787E-15 GRAD(Rho)x -0.4485942E-15 GRAD(Rho)y -0.4102761E-15 GRAD(Rho)z 0.1945162E-15 Laplacian 0.1941674E+00 (-1/4)Del**2(Rho)) -0.4854186E-01 Diamond 0.9422444E-01 Metallicity 0.2221335E+01 Ellipticity 0.1732521E-01 Gb(Abramov) 0.5033253E-01 Vb(Abramov) -0.5212320E-01 Hb(Abramov) -0.1790672E-02 Ex_ueg -0.1275245E-01 Ec_ueg -0.2284450E-02 Delta_ex -0.1588422E-01 Delta_ec 0.5957943E-02 Delta_et -0.6207335E-01 Pxc 0.5582286E+01 Qxc -0.2666057E+01 3,-1 92 3 +1 -0.184073 0.155804 2.951678 Rho 0.5732718E-02 |GRAD(Rho)| 0.1403325E-13 GRAD(Rho)x 0.1320270E-13 GRAD(Rho)y -0.2515932E-14 GRAD(Rho)z -0.4036188E-14 Laplacian 0.2363540E-01 (-1/4)Del**2(Rho)) -0.5908849E-02 Diamond 0.6721024E-03 Metallicity 0.5353666E+00 Ellipticity -0.4425349E+01 Gb(Abramov) 0.4466466E-02 Vb(Abramov) -0.3024083E-02 Hb(Abramov) 0.1442383E-02 Ex_ueg -0.7577614E-03 Ec_ueg -0.1785796E-03 Delta_ex -0.1214327E-02 Delta_ec 0.7575679E-03 Delta_et -0.4281176E-02 Pxc 0.4243269E+01 Qxc -0.1602929E+01 3,+1 93 3 -1 -0.098050 0.069215 2.956769 Rho 0.5739483E-02 |GRAD(Rho)| 0.6960483E-13 GRAD(Rho)x 0.6809313E-13 GRAD(Rho)y 0.9880322E-14 GRAD(Rho)z 0.1051366E-13 Laplacian 0.2317612E-01 (-1/4)Del**2(Rho)) -0.5794029E-02 Diamond 0.7423304E-03 Metallicity 0.5470501E+00 Ellipticity 0.3902734E+01 Gb(Abramov) 0.4390957E-02 Vb(Abramov) -0.2987884E-02 Hb(Abramov) 0.1403072E-02 Ex_ueg -0.7589539E-03 Ec_ueg -0.1788733E-03 Delta_ex -0.1254544E-02 Delta_ec 0.8562882E-03 Delta_et -0.4796517E-02 Pxc 0.4242970E+01 Qxc -0.1465095E+01 3,-1 94 3 -1 -1.810862 2.717181 -0.550617 Rho 0.1364030E+00 |GRAD(Rho)| 0.2471819E-13 GRAD(Rho)x -0.1775675E-13 GRAD(Rho)y 0.1610409E-13 GRAD(Rho)z 0.6028693E-14 Laplacian 0.5644488E+00 (-1/4)Del**2(Rho)) -0.1411122E+00 Diamond 0.1025006E+01 Metallicity 0.4412606E+01 Ellipticity 0.1016896E-01 Gb(Abramov) 0.1978535E+00 Vb(Abramov) -0.2545949E+00 Hb(Abramov) -0.5674135E-01 Ex_ueg -0.5185814E-01 Ec_ueg -0.7578876E-02 Delta_ex -0.5927709E-01 Delta_ec 0.1475038E-01 Delta_et -0.1938152E+00 Pxc 0.6842458E+01 Qxc -0.4018681E+01 3,-1 95 3 -1 -2.013820 2.923964 0.855301 Rho 0.1176598E+00 |GRAD(Rho)| 0.4326054E-13 GRAD(Rho)x -0.5537346E-14 GRAD(Rho)y -0.2193802E-13 GRAD(Rho)z 0.3687188E-13 Laplacian 0.4686058E+00 (-1/4)Del**2(Rho)) -0.1171514E+00 Diamond 0.7076298E+00 Metallicity 0.4154505E+01 Ellipticity 0.2019638E-01 Gb(Abramov) 0.1592187E+00 Vb(Abramov) -0.2012859E+00 Hb(Abramov) -0.4206723E-01 Ex_ueg -0.4258167E-01 Ec_ueg -0.6406719E-02 Delta_ex -0.4743089E-01 Delta_ec 0.1256291E-01 Delta_et -0.1608503E+00 Pxc 0.6646409E+01 Qxc -0.3775468E+01 3,-1 96 3 +3 -0.127951 -2.410496 -0.143486 Rho 0.4030215E-02 |GRAD(Rho)| 0.5207458E-14 GRAD(Rho)x -0.4087401E-14 GRAD(Rho)y 0.3213133E-14 GRAD(Rho)z 0.2941867E-15 Laplacian 0.1620405E-01 (-1/4)Del**2(Rho)) -0.4051012E-02 Diamond 0.1053782E-03 Metallicity 0.4340470E+00 Ellipticity -0.3430809E+00 Gb(Abramov) 0.2993729E-02 Vb(Abramov) -0.1936447E-02 Hb(Abramov) 0.1057282E-02 Ex_ueg -0.4736848E-03 Ec_ueg -0.1054207E-03 Delta_ex -0.5536679E-03 Delta_ec 0.1180268E-03 Delta_et -0.7621635E-03 Pxc 0.4493278E+01 Qxc -0.4691036E+01 3,+3 97 3 -1 -1.793073 -0.543191 2.848264 Rho 0.1464239E+00 |GRAD(Rho)| 0.2398719E-15 GRAD(Rho)x 0.1868893E-15 GRAD(Rho)y -0.1485493E-15 GRAD(Rho)z -0.2332390E-16 Laplacian 0.6107386E+00 (-1/4)Del**2(Rho)) -0.1526846E+00 Diamond 0.1179263E+01 Metallicity 0.4589633E+01 Ellipticity 0.3433583E-01 Gb(Abramov) 0.2185842E+00 Vb(Abramov) -0.2844837E+00 Hb(Abramov) -0.6589952E-01 Ex_ueg -0.5699908E-01 Ec_ueg -0.8214989E-02 Delta_ex -0.6496326E-01 Delta_ec 0.1516545E-01 Delta_et -0.2002531E+00 Pxc 0.6938424E+01 Qxc -0.4283636E+01 3,-1 98 3 -1 -1.775208 0.487028 -2.865486 Rho 0.1276508E+00 |GRAD(Rho)| 0.4070230E-16 GRAD(Rho)x 0.1725237E-16 GRAD(Rho)y -0.9527427E-17 GRAD(Rho)z -0.3561265E-16 Laplacian 0.5272219E+00 (-1/4)Del**2(Rho)) -0.1318055E+00 Diamond 0.8761375E+00 Metallicity 0.4229855E+01 Ellipticity 0.1378860E-01 Gb(Abramov) 0.1807900E+00 Vb(Abramov) -0.2297745E+00 Hb(Abramov) -0.4898452E-01 Ex_ueg -0.4746968E-01 Ec_ueg -0.7028592E-02 Delta_ex -0.5439074E-01 Delta_ec 0.1382265E-01 Delta_et -0.1793769E+00 Pxc 0.6753797E+01 Qxc -0.3934901E+01 3,-1 99 3 +3 -2.307839 -0.022982 0.023204 Rho 0.5184472E-02 |GRAD(Rho)| 0.2495782E-16 GRAD(Rho)x -0.1346159E-16 GRAD(Rho)y 0.1803184E-16 GRAD(Rho)z 0.1079495E-16 Laplacian 0.2114445E-01 (-1/4)Del**2(Rho)) -0.5286113E-02 Diamond 0.2109703E-03 Metallicity 0.5061247E+00 Ellipticity -0.4477700E+00 Gb(Abramov) 0.3969981E-02 Vb(Abramov) -0.2653849E-02 Hb(Abramov) 0.1316132E-02 Ex_ueg -0.6627113E-03 Ec_ueg -0.1548600E-03 Delta_ex -0.7872865E-03 Delta_ec 0.1812824E-03 Delta_et -0.1190367E-02 Pxc 0.4279423E+01 Qxc -0.4342875E+01 3,+3 100 3 +1 -1.198265 1.247125 2.194443 Rho 0.2560429E-01 |GRAD(Rho)| 0.1031297E-15 GRAD(Rho)x -0.2999938E-16 GRAD(Rho)y 0.1299144E-16 GRAD(Rho)z 0.9781098E-16 Laplacian 0.1012304E+00 (-1/4)Del**2(Rho)) -0.2530760E-01 Diamond 0.1464131E-01 Metallicity 0.1514107E+01 Ellipticity -0.5952039E+01 Gb(Abramov) 0.2325814E-01 Vb(Abramov) -0.2120868E-01 Hb(Abramov) 0.2049463E-02 Ex_ueg -0.5573594E-02 Ec_ueg -0.1119187E-02 Delta_ex -0.6437183E-02 Delta_ec 0.1897910E-02 Delta_et -0.1681248E-01 Pxc 0.4980038E+01 Qxc -0.3391723E+01 3,+1 101 3 -1 -0.850396 -3.481078 -1.217438 Rho 0.3166629E+00 |GRAD(Rho)| 0.1279972E-14 GRAD(Rho)x 0.1034829E-15 GRAD(Rho)y 0.1243845E-14 GRAD(Rho)z 0.2836716E-15 Laplacian -0.1641464E+01 (-1/4)Del**2(Rho)) 0.4103660E+00 Diamond 0.5623727E+01 Metallicity -0.6176045E+01 Ellipticity 0.3760825E-02 Gb(Abramov) 0.1488292E+00 Vb(Abramov) -0.7080244E+00 Hb(Abramov) -0.5591952E+00 Ex_ueg -0.1594097E+00 Ec_ueg -0.1989991E-01 Delta_ex 0.1629414E+00 Delta_ec 0.5699935E-01 Delta_et -0.1348195E+01 Pxc 0.8010574E+01 Qxc 0.2858654E+01 3,-1 102 3 +1 0.047451 -3.058211 0.127324 Rho 0.5162520E-02 |GRAD(Rho)| 0.2077111E-13 GRAD(Rho)x -0.1397387E-13 GRAD(Rho)y 0.4402821E-14 GRAD(Rho)z -0.1472362E-13 Laplacian 0.2039873E-01 (-1/4)Del**2(Rho)) -0.5099683E-02 Diamond 0.5023673E-03 Metallicity 0.5209303E+00 Ellipticity -0.3906599E+01 Gb(Abramov) 0.3842552E-02 Vb(Abramov) -0.2585421E-02 Hb(Abramov) 0.1257131E-02 Ex_ueg -0.6589726E-03 Ec_ueg -0.1539134E-03 Delta_ex -0.1025627E-02 Delta_ec 0.6514979E-03 Delta_et -0.3568632E-02 Pxc 0.4281451E+01 Qxc -0.1574260E+01 3,+1 103 3 +1 -1.279617 2.146084 1.177914 Rho 0.2888127E-01 |GRAD(Rho)| 0.2861159E-16 GRAD(Rho)x 0.2477446E-17 GRAD(Rho)y -0.2752541E-16 GRAD(Rho)z -0.7405216E-17 Laplacian 0.1176600E+00 (-1/4)Del**2(Rho)) -0.2941500E-01 Diamond 0.2006396E-01 Metallicity 0.1592251E+01 Ellipticity -0.7070083E+01 Gb(Abramov) 0.2741601E-01 Vb(Abramov) -0.2541702E-01 Hb(Abramov) 0.1998991E-02 Ex_ueg -0.6544454E-02 Ec_ueg -0.1286047E-02 Delta_ex -0.7722425E-02 Delta_ec 0.2203132E-02 Delta_et -0.2011242E-01 Pxc 0.5088813E+01 Qxc -0.3505204E+01 3,+1 104 3 +1 -0.191568 2.929314 0.207522 Rho 0.5887259E-02 |GRAD(Rho)| 0.5931709E-15 GRAD(Rho)x -0.3895219E-15 GRAD(Rho)y 0.3419594E-16 GRAD(Rho)z 0.4460437E-15 Laplacian 0.2445112E-01 (-1/4)Del**2(Rho)) -0.6112781E-02 Diamond 0.6582303E-03 Metallicity 0.5409656E+00 Ellipticity -0.2494034E+01 Gb(Abramov) 0.4626321E-02 Vb(Abramov) -0.3139862E-02 Hb(Abramov) 0.1486460E-02 Ex_ueg -0.7851198E-03 Ec_ueg -0.1852928E-03 Delta_ex -0.1216203E-02 Delta_ec 0.7005046E-03 Delta_et -0.4022750E-02 Pxc 0.4237186E+01 Qxc -0.1736181E+01 3,+1 105 3 -1 -0.830751 2.018488 2.994319 Rho 0.1146525E+00 |GRAD(Rho)| 0.9520825E-16 GRAD(Rho)x -0.4673589E-16 GRAD(Rho)y -0.8290758E-16 GRAD(Rho)z -0.2588533E-17 Laplacian 0.4535118E+00 (-1/4)Del**2(Rho)) -0.1133780E+00 Diamond 0.6673103E+00 Metallicity 0.4111471E+01 Ellipticity 0.2084894E-01 Gb(Abramov) 0.1532770E+00 Vb(Abramov) -0.1931761E+00 Hb(Abramov) -0.3989905E-01 Ex_ueg -0.4113674E-01 Ec_ueg -0.6220895E-02 Delta_ex -0.4567112E-01 Delta_ec 0.1231982E-01 Delta_et -0.1571474E+00 Pxc 0.6612672E+01 Qxc -0.3707124E+01 3,-1 106 3 +1 1.732936 1.776402 1.759972 Rho 0.1227285E-01 |GRAD(Rho)| 0.1027672E-11 GRAD(Rho)x 0.9981582E-13 GRAD(Rho)y 0.8632256E-12 GRAD(Rho)z -0.5486240E-12 Laplacian 0.6095712E-01 (-1/4)Del**2(Rho)) -0.1523928E-01 Diamond 0.2499345E-02 Metallicity 0.7381836E+00 Ellipticity -0.1268806E+01 Gb(Abramov) 0.1203442E-01 Vb(Abramov) -0.8829555E-02 Hb(Abramov) 0.3204862E-02 Ex_ueg -0.2090799E-02 Ec_ueg -0.4721793E-03 Delta_ex -0.3008620E-02 Delta_ec 0.7813516E-03 Delta_et -0.5898599E-02 Pxc 0.4427977E+01 Qxc -0.3850533E+01 3,+1 107 3 +1 2.145974 -1.322993 1.140656 Rho 0.2638240E-01 |GRAD(Rho)| 0.1101234E-16 GRAD(Rho)x 0.7442074E-18 GRAD(Rho)y 0.8642349E-17 GRAD(Rho)z 0.6784357E-17 Laplacian 0.1074604E+00 (-1/4)Del**2(Rho)) -0.2686511E-01 Diamond 0.1702520E-01 Metallicity 0.1499299E+01 Ellipticity -0.1005931E+02 Gb(Abramov) 0.2462321E-01 Vb(Abramov) -0.2238131E-01 Hb(Abramov) 0.2241898E-02 Ex_ueg -0.5800570E-02 Ec_ueg -0.1158564E-02 Delta_ex -0.6971391E-02 Delta_ec 0.2164525E-02 Delta_et -0.1929300E-01 Pxc 0.5006688E+01 Qxc -0.3220750E+01 3,+1 108 3 +1 0.586491 -1.608317 -1.725119 Rho 0.3086760E-02 |GRAD(Rho)| 0.3060028E-16 GRAD(Rho)x 0.2033211E-16 GRAD(Rho)y 0.2270864E-16 GRAD(Rho)z -0.2701835E-17 Laplacian 0.1184896E-01 (-1/4)Del**2(Rho)) -0.2962240E-02 Diamond 0.8118808E-04 Metallicity 0.3805728E+00 Ellipticity -0.1132114E+01 Gb(Abramov) 0.2162718E-02 Vb(Abramov) -0.1363196E-02 Hb(Abramov) 0.7995220E-03 Ex_ueg -0.3319369E-03 Ec_ueg -0.6553090E-04 Delta_ex -0.4265671E-03 Delta_ec 0.1730606E-03 Delta_et -0.8955718E-03 Pxc 0.5065350E+01 Qxc -0.2464842E+01 3,+1 109 3 -1 -0.232964 -1.264011 -3.514521 Rho 0.4391899E-02 |GRAD(Rho)| 0.2257338E-17 GRAD(Rho)x -0.2169430E-17 GRAD(Rho)y -0.5299406E-18 GRAD(Rho)z -0.3291018E-18 Laplacian 0.1726827E-01 (-1/4)Del**2(Rho)) -0.4317069E-02 Diamond 0.5424193E-03 Metallicity 0.4700219E+00 Ellipticity 0.1750260E+00 Gb(Abramov) 0.3216232E-02 Vb(Abramov) -0.2115395E-02 Hb(Abramov) 0.1100837E-02 Ex_ueg -0.5311961E-03 Ec_ueg -0.1208383E-03 Delta_ex -0.1062867E-02 Delta_ec 0.9460386E-03 Delta_et -0.4776661E-02 Pxc 0.4395924E+01 Qxc -0.1123492E+01 3,-1 110 3 -1 -0.569058 -1.833408 2.793789 Rho 0.1142263E+00 |GRAD(Rho)| 0.5592576E-16 GRAD(Rho)x -0.1100465E-16 GRAD(Rho)y -0.1379647E-16 GRAD(Rho)z -0.5306831E-16 Laplacian 0.4680741E+00 (-1/4)Del**2(Rho)) -0.1170185E+00 Diamond 0.6797122E+00 Metallicity 0.3958906E+01 Ellipticity 0.6982673E-02 Gb(Abramov) 0.1552233E+00 Vb(Abramov) -0.1934280E+00 Hb(Abramov) -0.3820472E-01 Ex_ueg -0.4093295E-01 Ec_ueg -0.6194609E-02 Delta_ex -0.4701090E-01 Delta_ec 0.1257424E-01 Delta_et -0.1600537E+00 Pxc 0.6607834E+01 Qxc -0.3738667E+01 3,-1 111 3 -1 1.654835 -1.796468 0.438630 Rho 0.5195144E-01 |GRAD(Rho)| 0.6868352E-16 GRAD(Rho)x 0.3570794E-16 GRAD(Rho)y -0.4362474E-16 GRAD(Rho)z 0.3923330E-16 Laplacian 0.2061122E+00 (-1/4)Del**2(Rho)) -0.5152804E-01 Diamond 0.1102580E+00 Metallicity 0.2418274E+01 Ellipticity 0.1452072E-01 Gb(Abramov) 0.5512018E-01 Vb(Abramov) -0.5871232E-01 Hb(Abramov) -0.3592140E-02 Ex_ueg -0.1431688E-01 Ec_ueg -0.2523023E-02 Delta_ex -0.1713803E-01 Delta_ec 0.6153584E-02 Delta_et -0.6554270E-01 Pxc 0.5674496E+01 Qxc -0.2785049E+01 3,-1 112 3 -1 1.710587 -0.601542 1.703293 Rho 0.3596301E-01 |GRAD(Rho)| 0.1894120E-12 GRAD(Rho)x -0.2983859E-13 GRAD(Rho)y 0.4193088E-13 GRAD(Rho)z -0.1822865E-12 Laplacian 0.1483061E+00 (-1/4)Del**2(Rho)) -0.3707651E-01 Diamond 0.4846767E-01 Metallicity 0.1820599E+01 Ellipticity 0.4630145E-01 Gb(Abramov) 0.3596792E-01 Vb(Abramov) -0.3485933E-01 Hb(Abramov) 0.1108594E-02 Ex_ueg -0.8767176E-02 Ec_ueg -0.1655093E-02 Delta_ex -0.1127586E-01 Delta_ec 0.4480864E-02 Delta_et -0.4326723E-01 Pxc 0.5297091E+01 Qxc -0.2516447E+01 3,-1 113 3 -1 0.885585 2.004417 -2.971373 Rho 0.1492235E+00 |GRAD(Rho)| 0.2110083E-15 GRAD(Rho)x -0.1582935E-16 GRAD(Rho)y 0.1425048E-15 GRAD(Rho)z 0.1548105E-15 Laplacian 0.5887004E+00 (-1/4)Del**2(Rho)) -0.1471751E+00 Diamond 0.1182554E+01 Metallicity 0.4914140E+01 Ellipticity 0.6364684E-01 Gb(Abramov) 0.2186566E+00 Vb(Abramov) -0.2901381E+00 Hb(Abramov) -0.7148147E-01 Ex_ueg -0.5845675E-01 Ec_ueg -0.8393825E-02 Delta_ex -0.6310986E-01 Delta_ec 0.1490161E-01 Delta_et -0.1981018E+00 Pxc 0.6964256E+01 Qxc -0.4235105E+01 3,-1 114 3 -1 -0.847094 2.987361 1.979601 Rho 0.1508476E+00 |GRAD(Rho)| 0.1122077E-15 GRAD(Rho)x -0.3976311E-16 GRAD(Rho)y 0.1093689E-16 GRAD(Rho)z 0.1043545E-15 Laplacian 0.5900488E+00 (-1/4)Del**2(Rho)) -0.1475122E+00 Diamond 0.1203489E+01 Metallicity 0.4992166E+01 Ellipticity 0.4133312E-01 Gb(Abramov) 0.2210757E+00 Vb(Abramov) -0.2946392E+00 Hb(Abramov) -0.7356350E-01 Ex_ueg -0.5930656E-01 Ec_ueg -0.8497792E-02 Delta_ex -0.6344993E-01 Delta_ec 0.1494350E-01 Delta_et -0.1990680E+00 Pxc 0.6979056E+01 Qxc -0.4245988E+01 3,-1 115 3 +1 -0.541770 -0.580624 1.670201 Rho 0.7912657E-02 |GRAD(Rho)| 0.1885890E-16 GRAD(Rho)x 0.5862694E-17 GRAD(Rho)y 0.4433407E-17 GRAD(Rho)z -0.1736755E-16 Laplacian 0.3087615E-01 (-1/4)Del**2(Rho)) -0.7719038E-02 Diamond 0.7491367E-03 Metallicity 0.7012302E+00 Ellipticity -0.1426873E+01 Gb(Abramov) 0.6048162E-02 Vb(Abramov) -0.4377286E-02 Hb(Abramov) 0.1670876E-02 Ex_ueg -0.1164523E-02 Ec_ueg -0.2743322E-03 Delta_ex -0.1387001E-02 Delta_ec 0.4447956E-03 Delta_et -0.2966976E-02 Pxc 0.4244938E+01 Qxc -0.3118288E+01 3,+1 116 3 +1 -0.268970 -0.527143 -3.192714 Rho 0.3148350E-02 |GRAD(Rho)| 0.1718165E-16 GRAD(Rho)x -0.1140809E-16 GRAD(Rho)y 0.1240096E-16 GRAD(Rho)z 0.3358690E-17 Laplacian 0.1266803E-01 (-1/4)Del**2(Rho)) -0.3167006E-02 Diamond 0.1342840E-03 Metallicity 0.3678827E+00 Ellipticity -0.1462333E+01 Gb(Abramov) 0.2305519E-02 Vb(Abramov) -0.1444031E-02 Hb(Abramov) 0.8614877E-03 Ex_ueg -0.3407970E-03 Ec_ueg -0.6812031E-04 Delta_ex -0.5357646E-03 Delta_ec 0.3236981E-03 Delta_et -0.1560139E-02 Pxc 0.5002870E+01 Qxc -0.1655137E+01 3,+1 117 3 +1 0.316963 -1.914744 -0.730924 Rho 0.6344612E-02 |GRAD(Rho)| 0.3598202E-15 GRAD(Rho)x 0.9088126E-16 GRAD(Rho)y 0.2012000E-15 GRAD(Rho)z 0.2841297E-15 Laplacian 0.2461781E-01 (-1/4)Del**2(Rho)) -0.6154454E-02 Diamond 0.6451490E-03 Metallicity 0.6086564E+00 Ellipticity -0.2079116E+01 Gb(Abramov) 0.4727294E-02 Vb(Abramov) -0.3300134E-02 Hb(Abramov) 0.1427160E-02 Ex_ueg -0.8674781E-03 Ec_ueg -0.2052281E-03 Delta_ex -0.1184053E-02 Delta_ec 0.5992703E-03 Delta_et -0.3563953E-02 Pxc 0.4226897E+01 Qxc -0.1975824E+01 3,+1 118 3 -1 -0.505108 1.732279 1.699265 Rho 0.4580355E-01 |GRAD(Rho)| 0.1632009E-15 GRAD(Rho)x -0.7692457E-16 GRAD(Rho)y -0.9196364E-16 GRAD(Rho)z -0.1107241E-15 Laplacian 0.1832056E+00 (-1/4)Del**2(Rho)) -0.4580140E-01 Diamond 0.8167622E-01 Metallicity 0.2205496E+01 Ellipticity 0.3964126E-01 Gb(Abramov) 0.4737007E-01 Vb(Abramov) -0.4893874E-01 Hb(Abramov) -0.1568669E-02 Ex_ueg -0.1210367E-01 Ec_ueg -0.2184257E-02 Delta_ex -0.1471503E-01 Delta_ec 0.5396422E-02 Delta_et -0.5559382E-01 Pxc 0.5541323E+01 Qxc -0.2726813E+01 3,-1 119 3 +1 2.205341 0.989529 -1.473169 Rho 0.2288719E-01 |GRAD(Rho)| 0.3965431E-15 GRAD(Rho)x -0.8939510E-16 GRAD(Rho)y 0.3843444E-15 GRAD(Rho)z -0.3917036E-16 Laplacian 0.8666599E-01 (-1/4)Del**2(Rho)) -0.2166650E-01 Diamond 0.8586291E-02 Metallicity 0.1466961E+01 Ellipticity -0.2176936E+01 Gb(Abramov) 0.1974165E-01 Vb(Abramov) -0.1781680E-01 Hb(Abramov) 0.1924849E-02 Ex_ueg -0.4799268E-02 Ec_ueg -0.9829371E-03 Delta_ex -0.5087516E-02 Delta_ec 0.1153981E-02 Delta_et -0.1005956E-01 Pxc 0.4882579E+01 Qxc -0.4408665E+01 3,+1 120 3 +1 1.662087 0.483196 0.527964 Rho 0.7240847E-02 |GRAD(Rho)| 0.7752554E-17 GRAD(Rho)x 0.5412954E-17 GRAD(Rho)y -0.2200039E-17 GRAD(Rho)z 0.5095277E-17 Laplacian 0.2820277E-01 (-1/4)Del**2(Rho)) -0.7050692E-02 Diamond 0.6211083E-03 Metallicity 0.6621713E+00 Ellipticity -0.1421383E+01 Gb(Abramov) 0.5478589E-02 Vb(Abramov) -0.3906486E-02 Hb(Abramov) 0.1572103E-02 Ex_ueg -0.1034596E-02 Ec_ueg -0.2445846E-03 Delta_ex -0.1247498E-02 Delta_ec 0.4210744E-03 Delta_et -0.2732219E-02 Pxc 0.4230014E+01 Qxc -0.2962655E+01 3,+1 121 3 +1 0.544093 1.675205 0.462278 Rho 0.7558336E-02 |GRAD(Rho)| 0.1214441E-15 GRAD(Rho)x 0.5905932E-16 GRAD(Rho)y 0.1154177E-16 GRAD(Rho)z -0.1054867E-15 Laplacian 0.2964877E-01 (-1/4)Del**2(Rho)) -0.7412192E-02 Diamond 0.6669395E-03 Metallicity 0.6765765E+00 Ellipticity -0.1392174E+01 Gb(Abramov) 0.5777280E-02 Vb(Abramov) -0.4142369E-02 Hb(Abramov) 0.1634911E-02 Ex_ueg -0.1095519E-02 Ec_ueg -0.2586170E-03 Delta_ex -0.1311929E-02 Delta_ec 0.4185587E-03 Delta_et -0.2765891E-02 Pxc 0.4236068E+01 Qxc -0.3134396E+01 3,+1 122 3 -1 -0.501671 0.418734 0.424381 Rho 0.1763642E+00 |GRAD(Rho)| 0.2588763E-13 GRAD(Rho)x -0.1267042E-13 GRAD(Rho)y 0.1595599E-13 GRAD(Rho)z 0.1596986E-13 Laplacian 0.4573928E+00 (-1/4)Del**2(Rho)) -0.1143482E+00 Diamond 0.1147870E+01 Metallicity 0.8356186E+01 Ellipticity 0.5963855E-02 Gb(Abramov) 0.2354846E+00 Vb(Abramov) -0.3566210E+00 Hb(Abramov) -0.1211364E+00 Ex_ueg -0.7304645E-01 Ec_ueg -0.1015206E-01 Delta_ex -0.5131242E-01 Delta_ec 0.1145154E-01 Delta_et -0.1564620E+00 Pxc 0.7195235E+01 Qxc -0.4480830E+01 3,-1 123 3 -1 0.422910 0.398689 -0.534729 Rho 0.1782778E+00 |GRAD(Rho)| 0.4667663E-16 GRAD(Rho)x 0.2081668E-16 GRAD(Rho)y -0.4163336E-16 GRAD(Rho)z 0.3469447E-17 Laplacian 0.4659315E+00 (-1/4)Del**2(Rho)) -0.1164829E+00 Diamond 0.1186494E+01 Metallicity 0.8351924E+01 Ellipticity 0.9585361E-03 Gb(Abramov) 0.2397979E+00 Vb(Abramov) -0.3631130E+00 Hb(Abramov) -0.1233151E+00 Ex_ueg -0.7410509E-01 Ec_ueg -0.1027766E-01 Delta_ex -0.5242684E-01 Delta_ec 0.1166029E-01 Delta_et -0.1595929E+00 Pxc 0.7210311E+01 Qxc -0.4496188E+01 3,-1 124 3 +1 -0.089515 -2.286019 -1.036665 Rho 0.6626233E-02 |GRAD(Rho)| 0.2748478E-17 GRAD(Rho)x 0.1312614E-17 GRAD(Rho)y -0.2374427E-17 GRAD(Rho)z -0.4396275E-18 Laplacian 0.2577998E-01 (-1/4)Del**2(Rho)) -0.6444996E-02 Diamond 0.8419021E-03 Metallicity 0.6248490E+00 Ellipticity -0.3605106E+01 Gb(Abramov) 0.4967855E-02 Vb(Abramov) -0.3490715E-02 Hb(Abramov) 0.1477140E-02 Ex_ueg -0.9191943E-03 Ec_ueg -0.2175538E-03 Delta_ex -0.1331759E-02 Delta_ec 0.7705043E-03 Delta_et -0.4568626E-02 Pxc 0.4225135E+01 Qxc -0.1728425E+01 3,+1 125 3 -1 -0.597257 -2.799664 1.839752 Rho 0.1600373E+00 |GRAD(Rho)| 0.2751309E-15 GRAD(Rho)x 0.3550762E-17 GRAD(Rho)y 0.6679363E-16 GRAD(Rho)z 0.2668764E-15 Laplacian 0.6636135E+00 (-1/4)Del**2(Rho)) -0.1659034E+00 Diamond 0.1421065E+01 Metallicity 0.4898539E+01 Ellipticity 0.4456619E-01 Gb(Abramov) 0.2460496E+00 Vb(Abramov) -0.3261958E+00 Hb(Abramov) -0.8014622E-01 Ex_ueg -0.6417215E-01 Ec_ueg -0.9089110E-02 Delta_ex -0.7211722E-01 Delta_ec 0.1603523E-01 Delta_et -0.2139695E+00 Pxc 0.7060334E+01 Qxc -0.4497422E+01 3,-1 126 3 -1 -0.547160 2.746368 -1.764803 Rho 0.1395417E+00 |GRAD(Rho)| 0.5839268E-15 GRAD(Rho)x -0.5488231E-15 GRAD(Rho)y -0.1139835E-15 GRAD(Rho)z 0.1636197E-15 Laplacian 0.5845504E+00 (-1/4)Del**2(Rho)) -0.1461376E+00 Diamond 0.1080181E+01 Metallicity 0.4425522E+01 Ellipticity 0.7820639E-02 Gb(Abramov) 0.2052143E+00 Vb(Abramov) -0.2642909E+00 Hb(Abramov) -0.5907666E-01 Ex_ueg -0.5345525E-01 Ec_ueg -0.7777431E-02 Delta_ex -0.6161026E-01 Delta_ec 0.1498151E-01 Delta_et -0.1971114E+00 Pxc 0.6873125E+01 Qxc -0.4112419E+01 3,-1 127 3 -1 -0.011582 2.942054 0.032791 Rho 0.5943807E-02 |GRAD(Rho)| 0.7947598E-17 GRAD(Rho)x 0.6673382E-17 GRAD(Rho)y 0.1439082E-17 GRAD(Rho)z 0.4069315E-17 Laplacian 0.2382328E-01 (-1/4)Del**2(Rho)) -0.5955820E-02 Diamond 0.8117012E-03 Metallicity 0.5641390E+00 Ellipticity 0.2205081E+01 Gb(Abramov) 0.4530532E-02 Vb(Abramov) -0.3105243E-02 Hb(Abramov) 0.1425288E-02 Ex_ueg -0.7951908E-03 Ec_ueg -0.1877521E-03 Delta_ex -0.1306789E-02 Delta_ec 0.8958739E-03 Delta_et -0.5066642E-02 Pxc 0.4235324E+01 Qxc -0.1458675E+01 3,-1 128 3 +3 -0.269857 -0.639052 -2.797486 Rho 0.2990078E-02 |GRAD(Rho)| 0.8500783E-15 GRAD(Rho)x -0.8136960E-15 GRAD(Rho)y 0.1953541E-15 GRAD(Rho)z -0.1495617E-15 Laplacian 0.1206051E-01 (-1/4)Del**2(Rho)) -0.3015126E-02 Diamond 0.8923108E-04 Metallicity 0.3545836E+00 Ellipticity -0.4072585E+00 Gb(Abramov) 0.2188270E-02 Vb(Abramov) -0.1361414E-02 Hb(Abramov) 0.8268564E-03 Ex_ueg -0.3181475E-03 Ec_ueg -0.6147035E-04 Delta_ex -0.4496207E-03 Delta_ec 0.2092494E-03 Delta_et -0.1043790E-02 Pxc 0.5175625E+01 Qxc -0.2148731E+01 3,+3 129 3 -1 -0.562661 -0.534977 -0.551327 Rho 0.1905638E+00 |GRAD(Rho)| 0.8367617E-14 GRAD(Rho)x -0.4964779E-14 GRAD(Rho)y -0.4666406E-14 GRAD(Rho)z -0.4857226E-14 Laplacian 0.5151230E+00 (-1/4)Del**2(Rho)) -0.1287807E+00 Diamond 0.1396837E+01 Metallicity 0.8441822E+01 Ellipticity 0.2445919E-01 Gb(Abramov) 0.2670445E+00 Vb(Abramov) -0.4053083E+00 Hb(Abramov) -0.1382638E+00 Ex_ueg -0.8099140E-01 Ec_ueg -0.1108904E-01 Delta_ex -0.5876419E-01 Delta_ec 0.1235532E-01 Delta_et -0.1693659E+00 Pxc 0.7303735E+01 Qxc -0.4756185E+01 3,-1 130 3 -1 -0.008162 -3.375388 -1.158793 Rho 0.3077103E-01 |GRAD(Rho)| 0.5812117E-16 GRAD(Rho)x 0.5713192E-16 GRAD(Rho)y 0.6693603E-17 GRAD(Rho)z -0.8319272E-17 Laplacian 0.9724027E-01 (-1/4)Del**2(Rho)) -0.2431007E-01 Diamond 0.4010990E-01 Metallicity 0.2141265E+01 Ellipticity 0.8742553E-02 Gb(Abramov) 0.2488243E-01 Vb(Abramov) -0.2545478E-01 Hb(Abramov) -0.5723590E-03 Ex_ueg -0.7121548E-02 Ec_ueg -0.1383446E-02 Delta_ex -0.8303536E-02 Delta_ec 0.5057380E-02 Delta_et -0.4669668E-01 Pxc 0.5147688E+01 Qxc -0.1641865E+01 3,-1 131 3 -1 -0.079592 -3.232840 3.197313 Rho 0.2291453E+00 |GRAD(Rho)| 0.7477607E-14 GRAD(Rho)x 0.3519876E-14 GRAD(Rho)y 0.6580186E-14 GRAD(Rho)z -0.4756395E-15 Laplacian 0.8318010E+00 (-1/4)Del**2(Rho)) -0.2079503E+00 Diamond 0.2789498E+01 Metallicity 0.7108513E+01 Ellipticity 0.4562755E-02 Gb(Abramov) 0.3850030E+00 Vb(Abramov) -0.5620558E+00 Hb(Abramov) -0.1770528E+00 Ex_ueg -0.1035618E+00 Ec_ueg -0.1369199E-01 Delta_ex -0.9933389E-01 Delta_ec 0.1869733E-01 Delta_et -0.2588050E+00 Pxc 0.7563681E+01 Qxc -0.5312731E+01 3,-1 132 3 +3 0.062474 2.252082 -0.013670 Rho 0.4712539E-02 |GRAD(Rho)| 0.9481577E-17 GRAD(Rho)x -0.9891728E-18 GRAD(Rho)y -0.5998015E-17 GRAD(Rho)z 0.7276377E-17 Laplacian 0.1930553E-01 (-1/4)Del**2(Rho)) -0.4826383E-02 Diamond 0.1587407E-03 Metallicity 0.4728133E+00 Ellipticity -0.2944328E+00 Gb(Abramov) 0.3597918E-02 Vb(Abramov) -0.2369454E-02 Hb(Abramov) 0.1228465E-02 Ex_ueg -0.5835235E-03 Ec_ueg -0.1345632E-03 Delta_ex -0.6907273E-03 Delta_ec 0.1467963E-03 Delta_et -0.9707342E-03 Pxc 0.4336426E+01 Qxc -0.4705347E+01 3,+3 133 3 -1 0.555761 1.815674 2.747078 Rho 0.1542691E+00 |GRAD(Rho)| 0.7370775E-16 GRAD(Rho)x -0.7001236E-16 GRAD(Rho)y 0.2032879E-16 GRAD(Rho)z 0.1085557E-16 Laplacian 0.6405259E+00 (-1/4)Del**2(Rho)) -0.1601315E+00 Diamond 0.1336732E+01 Metallicity 0.4773917E+01 Ellipticity 0.1409610E-01 Gb(Abramov) 0.2341634E+00 Vb(Abramov) -0.3081953E+00 Hb(Abramov) -0.7403190E-01 Ex_ueg -0.6110692E-01 Ec_ueg -0.8717357E-02 Delta_ex -0.6920793E-01 Delta_ec 0.1603905E-01 Delta_et -0.2140937E+00 Pxc 0.7009799E+01 Qxc -0.4314963E+01 3,-1 134 3 -1 0.533174 1.677689 -1.730866 Rho 0.5339886E-01 |GRAD(Rho)| 0.6752658E-15 GRAD(Rho)x 0.2254899E-15 GRAD(Rho)y -0.4710841E-15 GRAD(Rho)z 0.4280396E-15 Laplacian 0.2149727E+00 (-1/4)Del**2(Rho)) -0.5374317E-01 Diamond 0.1182736E+00 Metallicity 0.2427261E+01 Ellipticity 0.1380971E-01 Gb(Abramov) 0.5757023E-01 Vb(Abramov) -0.6139729E-01 Hb(Abramov) -0.3827059E-02 Ex_ueg -0.1485118E-01 Ec_ueg -0.2603594E-02 Delta_ex -0.1795581E-01 Delta_ec 0.6339139E-02 Delta_et -0.6797493E-01 Pxc 0.5704108E+01 Qxc -0.2832531E+01 3,-1 135 3 +3 1.095871 1.064733 1.048657 Rho 0.4457979E-02 |GRAD(Rho)| 0.1083365E-14 GRAD(Rho)x 0.6609562E-15 GRAD(Rho)y 0.6050060E-15 GRAD(Rho)z 0.6089202E-15 Laplacian 0.1748568E-01 (-1/4)Del**2(Rho)) -0.4371421E-02 Diamond 0.1141462E-03 Metallicity 0.4758762E+00 Ellipticity -0.2646193E+00 Gb(Abramov) 0.3260990E-02 Vb(Abramov) -0.2150559E-02 Hb(Abramov) 0.1110431E-02 Ex_ueg -0.5418792E-03 Ec_ueg -0.1236625E-03 Delta_ex -0.5958318E-03 Delta_ec 0.9591983E-04 Delta_et -0.6891186E-03 Pxc 0.4381919E+01 Qxc -0.6211769E+01 3,+3 136 3 +3 1.985730 1.914974 -1.930429 Rho 0.1182936E-01 |GRAD(Rho)| 0.4808349E-14 GRAD(Rho)x -0.2986240E-14 GRAD(Rho)y -0.2704486E-14 GRAD(Rho)z 0.2624566E-14 Laplacian 0.5448453E-01 (-1/4)Del**2(Rho)) -0.1362113E-01 Diamond 0.1428257E-02 Metallicity 0.7767395E+00 Ellipticity -0.8826846E+00 Gb(Abramov) 0.1084410E-01 Vb(Abramov) -0.8067067E-02 Hb(Abramov) 0.2777032E-02 Ex_ueg -0.1990674E-02 Ec_ueg -0.4516974E-03 Delta_ex -0.2458199E-02 Delta_ec 0.3325181E-03 Delta_et -0.2774725E-02 Pxc 0.4407095E+01 Qxc -0.7392678E+01 3,+3 137 3 +1 0.190572 2.954738 -0.165205 Rho 0.5863667E-02 |GRAD(Rho)| 0.8042078E-17 GRAD(Rho)x -0.3473452E-17 GRAD(Rho)y 0.5900095E-18 GRAD(Rho)z -0.7229249E-17 Laplacian 0.2433204E-01 (-1/4)Del**2(Rho)) -0.6083011E-02 Diamond 0.6435978E-03 Metallicity 0.5399871E+00 Ellipticity -0.2321209E+01 Gb(Abramov) 0.4602799E-02 Vb(Abramov) -0.3122586E-02 Hb(Abramov) 0.1480212E-02 Ex_ueg -0.7809276E-03 Ec_ueg -0.1842672E-03 Delta_ex -0.1203362E-02 Delta_ec 0.6865104E-03 Delta_et -0.3942305E-02 Pxc 0.4238018E+01 Qxc -0.1752867E+01 3,+1 138 3 -1 0.584021 2.814186 1.773492 Rho 0.1658544E+00 |GRAD(Rho)| 0.2289267E-12 GRAD(Rho)x -0.1534319E-12 GRAD(Rho)y -0.4458285E-13 GRAD(Rho)z 0.1639465E-12 Laplacian 0.6884231E+00 (-1/4)Del**2(Rho)) -0.1721058E+00 Diamond 0.1569921E+01 Metallicity 0.5011521E+01 Ellipticity 0.2081816E-01 Gb(Abramov) 0.2584891E+00 Vb(Abramov) -0.3448725E+00 Hb(Abramov) -0.8638335E-01 Ex_ueg -0.6730095E-01 Ec_ueg -0.9466034E-02 Delta_ex -0.7575560E-01 Delta_ec 0.1696614E-01 Delta_et -0.2286576E+00 Pxc 0.7109730E+01 Qxc -0.4465104E+01 3,-1 139 3 -1 -0.052615 3.184318 -3.151821 Rho 0.2403836E+00 |GRAD(Rho)| 0.7368630E-12 GRAD(Rho)x 0.1461430E-12 GRAD(Rho)y -0.5198642E-12 GRAD(Rho)z 0.5013486E-12 Laplacian 0.8932535E+00 (-1/4)Del**2(Rho)) -0.2233134E+00 Diamond 0.3150104E+01 Metallicity 0.7169350E+01 Ellipticity 0.1745382E-02 Gb(Abramov) 0.4157109E+00 Vb(Abramov) -0.6081084E+00 Hb(Abramov) -0.1923975E+00 Ex_ueg -0.1103888E+00 Ec_ueg -0.1446563E-01 Delta_ex -0.1078877E+00 Delta_ec 0.1957963E-01 Delta_et -0.2705906E+00 Pxc 0.7631103E+01 Qxc -0.5510200E+01 3,-1 140 3 -1 0.497438 -1.801371 1.683093 Rho 0.4353014E-01 |GRAD(Rho)| 0.5630515E-16 GRAD(Rho)x 0.4589277E-16 GRAD(Rho)y 0.3257244E-16 GRAD(Rho)z 0.1777499E-17 Laplacian 0.1799725E+00 (-1/4)Del**2(Rho)) -0.4499313E-01 Diamond 0.7713589E-01 Metallicity 0.2062483E+01 Ellipticity 0.1315410E-01 Gb(Abramov) 0.4546168E-01 Vb(Abramov) -0.4593024E-01 Hb(Abramov) -0.4685524E-03 Ex_ueg -0.1130937E-01 Ec_ueg -0.2060495E-02 Delta_ex -0.1438985E-01 Delta_ec 0.5513000E-02 Delta_et -0.5607150E-01 Pxc 0.5488667E+01 Qxc -0.2610166E+01 3,-1 141 3 -1 0.802367 -2.000315 2.993780 Rho 0.1173685E+00 |GRAD(Rho)| 0.1752217E-15 GRAD(Rho)x 0.5068645E-17 GRAD(Rho)y -0.1397740E-15 GRAD(Rho)z 0.1055471E-15 Laplacian 0.4557766E+00 (-1/4)Del**2(Rho)) -0.1139442E+00 Diamond 0.6818891E+00 Metallicity 0.4253835E+01 Ellipticity 0.3736258E-01 Gb(Abramov) 0.1567460E+00 Vb(Abramov) -0.1995479E+00 Hb(Abramov) -0.4280188E-01 Ex_ueg -0.4244116E-01 Ec_ueg -0.6388691E-02 Delta_ex -0.4604548E-01 Delta_ec 0.1211949E-01 Delta_et -0.1549352E+00 Pxc 0.6643171E+01 Qxc -0.3799292E+01 3,-1 142 3 -1 0.409059 -0.551024 0.390699 Rho 0.1804359E+00 |GRAD(Rho)| 0.3428159E-11 GRAD(Rho)x -0.1999720E-11 GRAD(Rho)y 0.1981634E-11 GRAD(Rho)z -0.1956151E-11 Laplacian 0.4760375E+00 (-1/4)Del**2(Rho)) -0.1190094E+00 Diamond 0.1230759E+01 Metallicity 0.8340208E+01 Ellipticity 0.6822182E-02 Gb(Abramov) 0.2447667E+00 Vb(Abramov) -0.3705241E+00 Hb(Abramov) -0.1257574E+00 Ex_ueg -0.7530358E-01 Ec_ueg -0.1041955E-01 Delta_ex -0.5373232E-01 Delta_ec 0.1188842E-01 Delta_et -0.1629761E+00 Pxc 0.7227140E+01 Qxc -0.4519721E+01 3,-1 143 3 +1 1.258796 -1.175663 2.142846 Rho 0.2442500E-01 |GRAD(Rho)| 0.6041498E-16 GRAD(Rho)x -0.6751323E-17 GRAD(Rho)y 0.1037501E-16 GRAD(Rho)z -0.5913332E-16 Laplacian 0.9666415E-01 (-1/4)Del**2(Rho)) -0.2416604E-01 Diamond 0.1347490E-01 Metallicity 0.1465791E+01 Ellipticity -0.7068857E+01 Gb(Abramov) 0.2201442E-01 Vb(Abramov) -0.1986280E-01 Hb(Abramov) 0.2151620E-02 Ex_ueg -0.5233969E-02 Ec_ueg -0.1059807E-02 Delta_ex -0.6112652E-02 Delta_ec 0.1886499E-02 Delta_et -0.1649671E-01 Pxc 0.4938603E+01 Qxc -0.3240209E+01 3,+1 144 3 +1 1.638023 -0.565497 -0.581330 Rho 0.8830095E-02 |GRAD(Rho)| 0.3604313E-13 GRAD(Rho)x 0.1352445E-13 GRAD(Rho)y 0.8862325E-14 GRAD(Rho)z -0.3221266E-13 Laplacian 0.3519081E-01 (-1/4)Del**2(Rho)) -0.8797702E-02 Diamond 0.9673774E-03 Metallicity 0.7386855E+00 Ellipticity -0.1422493E+01 Gb(Abramov) 0.6948257E-02 Vb(Abramov) -0.5098812E-02 Hb(Abramov) 0.1849445E-02 Ex_ueg -0.1347945E-02 Ec_ueg -0.3152869E-03 Delta_ex -0.1614582E-02 Delta_ec 0.4882904E-03 Delta_et -0.3365720E-02 Pxc 0.4275297E+01 Qxc -0.3306602E+01 3,+1 145 3 -1 0.861983 -3.022354 2.029512 Rho 0.1443321E+00 |GRAD(Rho)| 0.7502436E-15 GRAD(Rho)x -0.6829661E-15 GRAD(Rho)y 0.2563325E-15 GRAD(Rho)z 0.1752613E-15 Laplacian 0.5623132E+00 (-1/4)Del**2(Rho)) -0.1405783E+00 Diamond 0.1075345E+01 Metallicity 0.4866756E+01 Ellipticity 0.7552187E-01 Gb(Abramov) 0.2077456E+00 Vb(Abramov) -0.2749129E+00 Hb(Abramov) -0.6716729E-01 Ex_ueg -0.5591592E-01 Ec_ueg -0.8081677E-02 Delta_ex -0.5968673E-01 Delta_ec 0.1416651E-01 Delta_et -0.1870359E+00 Pxc 0.6918851E+01 Qxc -0.4213226E+01 3,-1 146 3 -1 1.358973 -2.122984 -2.130326 Rho 0.6657612E-02 |GRAD(Rho)| 0.1862520E-16 GRAD(Rho)x 0.6537214E-18 GRAD(Rho)y 0.1196346E-16 GRAD(Rho)z -0.1425995E-16 Laplacian 0.2726618E-01 (-1/4)Del**2(Rho)) -0.6816545E-02 Diamond 0.1215105E-02 Metallicity 0.5954606E+00 Ellipticity 0.8060604E+00 Gb(Abramov) 0.5220861E-02 Vb(Abramov) -0.3625176E-02 Hb(Abramov) 0.1595684E-02 Ex_ueg -0.9250028E-03 Ec_ueg -0.2189295E-03 Delta_ex -0.1612095E-02 Delta_ec 0.1175931E-02 Delta_et -0.6835124E-02 Pxc 0.4225116E+01 Qxc -0.1370910E+01 3,-1 147 3 +3 1.896836 -1.919797 1.944112 Rho 0.1185491E-01 |GRAD(Rho)| 0.1014699E-12 GRAD(Rho)x 0.3595519E-13 GRAD(Rho)y 0.8891535E-13 GRAD(Rho)z 0.3312742E-13 Laplacian 0.5497941E-01 (-1/4)Del**2(Rho)) -0.1374485E-01 Diamond 0.1327647E-02 Metallicity 0.7725205E+00 Ellipticity -0.8016404E+00 Gb(Abramov) 0.1093293E-01 Vb(Abramov) -0.8121012E-02 Hb(Abramov) 0.2811921E-02 Ex_ueg -0.1996408E-02 Ec_ueg -0.4528752E-03 Delta_ex -0.2447428E-02 Delta_ec 0.2737081E-03 Delta_et -0.2386498E-02 Pxc 0.4408296E+01 Qxc -0.8941744E+01 3,+3 148 3 +1 1.120556 -2.222504 1.310065 Rho 0.2848587E-01 |GRAD(Rho)| 0.7327863E-16 GRAD(Rho)x -0.4025288E-16 GRAD(Rho)y -0.1048659E-16 GRAD(Rho)z 0.6032822E-16 Laplacian 0.1161664E+00 (-1/4)Del**2(Rho)) -0.2904160E-01 Diamond 0.1948207E-01 Metallicity 0.1576093E+01 Ellipticity -0.6946192E+01 Gb(Abramov) 0.2698978E-01 Vb(Abramov) -0.2493796E-01 Hb(Abramov) 0.2051824E-02 Ex_ueg -0.6425266E-02 Ec_ueg -0.1265774E-02 Delta_ex -0.7600641E-02 Delta_ec 0.2182460E-02 Delta_et -0.1985497E-01 Pxc 0.5076154E+01 Qxc -0.3482602E+01 3,+1 149 3 +1 1.369221 2.126728 -1.081555 Rho 0.2666002E-01 |GRAD(Rho)| 0.8222832E-17 GRAD(Rho)x -0.4753505E-17 GRAD(Rho)y 0.2967371E-17 GRAD(Rho)z 0.6017795E-17 Laplacian 0.1028641E+00 (-1/4)Del**2(Rho)) -0.2571602E-01 Diamond 0.1406722E-01 Metallicity 0.1593860E+01 Ellipticity -0.3385174E+01 Gb(Abramov) 0.2397530E-01 Vb(Abramov) -0.2223458E-01 Hb(Abramov) 0.1740719E-02 Ex_ueg -0.5882098E-02 Ec_ueg -0.1172651E-02 Delta_ex -0.6445670E-02 Delta_ec 0.1633126E-02 Delta_et -0.1466396E-01 Pxc 0.5016068E+01 Qxc -0.3946830E+01 3,+1 150 3 +1 2.930307 0.130246 -0.098799 Rho 0.4859877E-02 |GRAD(Rho)| 0.3086117E-13 GRAD(Rho)x -0.3650778E-14 GRAD(Rho)y 0.3040495E-13 GRAD(Rho)z 0.3823948E-14 Laplacian 0.1958578E-01 (-1/4)Del**2(Rho)) -0.4896446E-02 Diamond 0.4622178E-03 Metallicity 0.4905852E+00 Ellipticity -0.5167768E+01 Gb(Abramov) 0.3664651E-02 Vb(Abramov) -0.2432857E-02 Hb(Abramov) 0.1231795E-02 Ex_ueg -0.6079747E-03 Ec_ueg -0.1408877E-03 Delta_ex -0.9902654E-03 Delta_ec 0.6556521E-03 Delta_et -0.3514687E-02 Pxc 0.4315313E+01 Qxc -0.1510352E+01 3,+1 151 3 +1 2.043049 1.983308 -1.987345 Rho 0.1184406E-01 |GRAD(Rho)| 0.6289446E-17 GRAD(Rho)x 0.5232202E-17 GRAD(Rho)y -0.3487953E-17 GRAD(Rho)z 0.1239642E-18 Laplacian 0.5488928E-01 (-1/4)Del**2(Rho)) -0.1372232E-01 Diamond 0.1695298E-02 Metallicity 0.7726094E+00 Ellipticity -0.1090455E+01 Gb(Abramov) 0.1091521E-01 Vb(Abramov) -0.8108105E-02 Hb(Abramov) 0.2807108E-02 Ex_ueg -0.1993973E-02 Ec_ueg -0.4523751E-03 Delta_ex -0.2552016E-02 Delta_ec 0.4683143E-03 Delta_et -0.3689272E-02 Pxc 0.4407786E+01 Qxc -0.5449366E+01 3,+1 152 3 -1 1.757237 1.684205 -0.569179 Rho 0.3887012E-01 |GRAD(Rho)| 0.4844449E-16 GRAD(Rho)x 0.3919391E-16 GRAD(Rho)y 0.2493559E-16 GRAD(Rho)z 0.1374491E-16 Laplacian 0.1524874E+00 (-1/4)Del**2(Rho)) -0.3812186E-01 Diamond 0.5355753E-01 Metallicity 0.2015605E+01 Ellipticity 0.2302062E-01 Gb(Abramov) 0.3822101E-01 Vb(Abramov) -0.3832016E-01 Hb(Abramov) -0.9915077E-04 Ex_ueg -0.9724624E-02 Ec_ueg -0.1809588E-02 Delta_ex -0.1170698E-01 Delta_ec 0.4407888E-02 Delta_et -0.4345532E-01 Pxc 0.5373943E+01 Qxc -0.2655916E+01 3,-1 153 3 -1 0.858001 2.981294 -1.942510 Rho 0.1415477E+00 |GRAD(Rho)| 0.2581036E-15 GRAD(Rho)x -0.1831217E-15 GRAD(Rho)y 0.1412580E-15 GRAD(Rho)z 0.1145866E-15 Laplacian 0.5549814E+00 (-1/4)Del**2(Rho)) -0.1387454E+00 Diamond 0.1050712E+01 Metallicity 0.4773527E+01 Ellipticity 0.4397345E-01 Gb(Abramov) 0.2028810E+00 Vb(Abramov) -0.2670167E+00 Hb(Abramov) -0.6413568E-01 Ex_ueg -0.5448231E-01 Ec_ueg -0.7904660E-02 Delta_ex -0.5877791E-01 Delta_ec 0.1431696E-01 Delta_et -0.1890719E+00 Pxc 0.6892429E+01 Qxc -0.4105473E+01 3,-1 154 3 -1 1.709916 0.439688 -1.810117 Rho 0.4025897E-01 |GRAD(Rho)| 0.3798665E-16 GRAD(Rho)x 0.3795406E-16 GRAD(Rho)y 0.2096407E-19 GRAD(Rho)z -0.1572940E-17 Laplacian 0.1623386E+00 (-1/4)Del**2(Rho)) -0.4058465E-01 Diamond 0.6318306E-01 Metallicity 0.2007378E+01 Ellipticity 0.3465242E-01 Gb(Abramov) 0.4063455E-01 Vb(Abramov) -0.4068446E-01 Hb(Abramov) -0.4990740E-04 Ex_ueg -0.1019065E-01 Ec_ueg -0.1883961E-02 Delta_ex -0.1276706E-01 Delta_ec 0.5038421E-02 Delta_et -0.5018347E-01 Pxc 0.5409162E+01 Qxc -0.2533941E+01 3,-1 155 3 +1 1.444691 0.976756 -2.202106 Rho 0.2743173E-01 |GRAD(Rho)| 0.4814431E-14 GRAD(Rho)x 0.2049826E-14 GRAD(Rho)y -0.3794020E-14 GRAD(Rho)z 0.2140649E-14 Laplacian 0.1079790E+00 (-1/4)Del**2(Rho)) -0.2699476E-01 Diamond 0.1424863E-01 Metallicity 0.1592315E+01 Ellipticity -0.2500025E+01 Gb(Abramov) 0.2516053E-01 Vb(Abramov) -0.2332630E-01 Hb(Abramov) 0.1834227E-02 Ex_ueg -0.6110207E-02 Ec_ueg -0.1211910E-02 Delta_ex -0.6712110E-02 Delta_ec 0.1523993E-02 Delta_et -0.1380934E-01 Pxc 0.5041798E+01 Qxc -0.4404292E+01 3,+1 156 3 +1 1.559406 -1.990329 -1.994851 Rho 0.6519816E-02 |GRAD(Rho)| 0.2761033E-16 GRAD(Rho)x 0.1758315E-16 GRAD(Rho)y 0.9611557E-17 GRAD(Rho)z 0.1899425E-16 Laplacian 0.2889481E-01 (-1/4)Del**2(Rho)) -0.7223702E-02 Diamond 0.9017507E-03 Metallicity 0.5426490E+00 Ellipticity -0.2177104E+01 Gb(Abramov) 0.5469124E-02 Vb(Abramov) -0.3714545E-02 Hb(Abramov) 0.1754578E-02 Ex_ueg -0.8995643E-03 Ec_ueg -0.2128918E-03 Delta_ex -0.1473714E-02 Delta_ec 0.8385661E-03 Delta_et -0.4958600E-02 Pxc 0.4225453E+01 Qxc -0.1757422E+01 3,+1 157 3 -1 1.967741 -3.023290 0.850756 Rho 0.1201395E+00 |GRAD(Rho)| 0.1795091E-13 GRAD(Rho)x 0.9212825E-14 GRAD(Rho)y -0.1530414E-13 GRAD(Rho)z -0.1772643E-14 Laplacian 0.4625304E+00 (-1/4)Del**2(Rho)) -0.1156326E+00 Diamond 0.7277268E+00 Metallicity 0.4357951E+01 Ellipticity 0.2387918E-01 Gb(Abramov) 0.1610753E+00 Vb(Abramov) -0.2065179E+00 Hb(Abramov) -0.4544266E-01 Ex_ueg -0.4378237E-01 Ec_ueg -0.6560417E-02 Delta_ex -0.4720371E-01 Delta_ec 0.1261562E-01 Delta_et -0.1625716E+00 Pxc 0.6673718E+01 Qxc -0.3741689E+01 3,-1 158 3 -1 1.764365 -2.956198 -0.577294 Rho 0.2227844E+00 |GRAD(Rho)| 0.2892293E-15 GRAD(Rho)x -0.8071885E-16 GRAD(Rho)y -0.1427352E-15 GRAD(Rho)z -0.2382534E-15 Laplacian 0.8651374E+00 (-1/4)Del**2(Rho)) -0.2162844E+00 Diamond 0.2768990E+01 Metallicity 0.6521330E+01 Ellipticity 0.2081088E-01 Gb(Abramov) 0.3792665E+00 Vb(Abramov) -0.5422486E+00 Hb(Abramov) -0.1629821E+00 Ex_ueg -0.9974662E-01 Ec_ueg -0.1325717E-01 Delta_ex -0.1023540E+00 Delta_ec 0.1923028E-01 Delta_et -0.2642996E+00 Pxc 0.7523973E+01 Qxc -0.5322542E+01 3,-1 159 3 +1 2.930598 -0.115495 0.155580 Rho 0.4846107E-02 |GRAD(Rho)| 0.6413651E-16 GRAD(Rho)x 0.2470480E-17 GRAD(Rho)y -0.4607172E-16 GRAD(Rho)z 0.4455093E-16 Laplacian 0.1965820E-01 (-1/4)Del**2(Rho)) -0.4914550E-02 Diamond 0.4498295E-03 Metallicity 0.4864719E+00 Ellipticity -0.3480443E+01 Gb(Abramov) 0.3674832E-02 Vb(Abramov) -0.2435114E-02 Hb(Abramov) 0.1239718E-02 Ex_ueg -0.6056788E-03 Ec_ueg -0.1402962E-03 Delta_ex -0.9814588E-03 Delta_ec 0.6367613E-03 Delta_et -0.3418627E-02 Pxc 0.4317144E+01 Qxc -0.1541329E+01 3,+1 160 3 +1 1.999782 -2.014615 2.054023 Rho 0.1192624E-01 |GRAD(Rho)| 0.2376565E-16 GRAD(Rho)x 0.2472564E-17 GRAD(Rho)y -0.1994759E-16 GRAD(Rho)z -0.1268014E-16 Laplacian 0.5590545E-01 (-1/4)Del**2(Rho)) -0.1397636E-01 Diamond 0.1796720E-02 Metallicity 0.7673588E+00 Ellipticity -0.1129286E+01 Gb(Abramov) 0.1110506E-01 Vb(Abramov) -0.8233750E-02 Hb(Abramov) 0.2871307E-02 Ex_ueg -0.2012442E-02 Ec_ueg -0.4561653E-03 Delta_ex -0.2619834E-02 Delta_ec 0.5047951E-03 Delta_et -0.3949695E-02 Pxc 0.4411651E+01 Qxc -0.5189896E+01 3,+1 161 3 -1 1.954007 -0.853977 3.015441 Rho 0.1412838E+00 |GRAD(Rho)| 0.2035370E-12 GRAD(Rho)x 0.1322906E-12 GRAD(Rho)y 0.1392426E-12 GRAD(Rho)z -0.6736471E-13 Laplacian 0.5472054E+00 (-1/4)Del**2(Rho)) -0.1368014E+00 Diamond 0.1025921E+01 Metallicity 0.4826329E+01 Ellipticity 0.5284260E-01 Gb(Abramov) 0.2012423E+00 Vb(Abramov) -0.2656832E+00 Hb(Abramov) -0.6444093E-01 Ex_ueg -0.5434693E-01 Ec_ueg -0.7887910E-02 Delta_ex -0.5784438E-01 Delta_ec 0.1397350E-01 Delta_et -0.1841699E+00 Pxc 0.6889903E+01 Qxc -0.4139578E+01 3,-1 162 3 -1 1.897373 -0.613050 -3.004883 Rho 0.2258977E+00 |GRAD(Rho)| 0.5161895E-15 GRAD(Rho)x -0.3201107E-15 GRAD(Rho)y -0.3738871E-15 GRAD(Rho)z -0.1555288E-15 Laplacian 0.8554034E+00 (-1/4)Del**2(Rho)) -0.2138508E+00 Diamond 0.2793604E+01 Metallicity 0.6749866E+01 Ellipticity 0.1730040E-01 Gb(Abramov) 0.3831447E+00 Vb(Abramov) -0.5524385E+00 Hb(Abramov) -0.1692938E+00 Ex_ueg -0.1016094E+00 Ec_ueg -0.1346971E-01 Delta_ex -0.1016237E+00 Delta_ec 0.1903730E-01 Delta_et -0.2622253E+00 Pxc 0.7543551E+01 Qxc -0.5338136E+01 3,-1 163 3 -1 2.013536 2.982323 -0.836175 Rho 0.1361027E+00 |GRAD(Rho)| 0.8012934E-14 GRAD(Rho)x -0.7585214E-14 GRAD(Rho)y -0.1876910E-14 GRAD(Rho)z -0.1774500E-14 Laplacian 0.5318294E+00 (-1/4)Del**2(Rho)) -0.1329574E+00 Diamond 0.9637924E+00 Metallicity 0.4666080E+01 Ellipticity 0.2720543E-01 Gb(Abramov) 0.1920365E+00 Vb(Abramov) -0.2511157E+00 Hb(Abramov) -0.5907916E-01 Ex_ueg -0.5170599E-01 Ec_ueg -0.7559914E-02 Delta_ex -0.5582818E-01 Delta_ec 0.1391699E-01 Delta_et -0.1828248E+00 Pxc 0.6839494E+01 Qxc -0.4011513E+01 3,-1 164 3 +3 2.323230 -0.001730 0.033251 Rho 0.4171784E-02 |GRAD(Rho)| 0.2243730E-15 GRAD(Rho)x 0.1062894E-15 GRAD(Rho)y -0.1430019E-15 GRAD(Rho)z 0.1363681E-15 Laplacian 0.1713790E-01 (-1/4)Del**2(Rho)) -0.4284474E-02 Diamond 0.1388678E-03 Metallicity 0.4347024E+00 Ellipticity -0.2676355E+00 Gb(Abramov) 0.3166728E-02 Vb(Abramov) -0.2048982E-02 Hb(Abramov) 0.1117746E-02 Ex_ueg -0.4959990E-03 Ec_ueg -0.1114473E-03 Delta_ex -0.6169612E-03 Delta_ec 0.1714012E-03 Delta_et -0.1032756E-02 Pxc 0.4450526E+01 Qxc -0.3599514E+01 3,+3 165 3 -1 1.780556 0.531977 2.773625 Rho 0.1128631E+00 |GRAD(Rho)| 0.7457451E-13 GRAD(Rho)x 0.5614938E-13 GRAD(Rho)y -0.4689582E-13 GRAD(Rho)z -0.1447017E-13 Laplacian 0.4692515E+00 (-1/4)Del**2(Rho)) -0.1173129E+00 Diamond 0.6675979E+00 Metallicity 0.3870741E+01 Ellipticity 0.9453374E-02 Gb(Abramov) 0.1538899E+00 Vb(Abramov) -0.1904669E+00 Hb(Abramov) -0.3657700E-01 Ex_ueg -0.4028292E-01 Ec_ueg -0.6110633E-02 Delta_ex -0.4693619E-01 Delta_ec 0.1253555E-01 Delta_et -0.1590573E+00 Pxc 0.6592267E+01 Qxc -0.3744248E+01 3,-1 166 3 -1 2.001421 0.824628 -3.030866 Rho 0.1157653E+00 |GRAD(Rho)| 0.2574955E-15 GRAD(Rho)x 0.1808788E-15 GRAD(Rho)y -0.1294266E-15 GRAD(Rho)z 0.1297519E-15 Laplacian 0.4364728E+00 (-1/4)Del**2(Rho)) -0.1091182E+00 Diamond 0.6504862E+00 Metallicity 0.4341302E+01 Ellipticity 0.2896031E-01 Gb(Abramov) 0.1516980E+00 Vb(Abramov) -0.1942778E+00 Hb(Abramov) -0.4257978E-01 Ex_ueg -0.4166995E-01 Ec_ueg -0.6289580E-02 Delta_ex -0.4406634E-01 Delta_ec 0.1184922E-01 Delta_et -0.1514374E+00 Pxc 0.6625236E+01 Qxc -0.3718924E+01 3,-1 167 3 -1 2.801936 1.810651 0.578658 Rho 0.1496169E+00 |GRAD(Rho)| 0.5535095E-09 GRAD(Rho)x 0.9641576E-10 GRAD(Rho)y -0.3849737E-09 GRAD(Rho)z 0.3858394E-09 Laplacian 0.6226316E+00 (-1/4)Del**2(Rho)) -0.1556579E+00 Diamond 0.1256079E+01 Metallicity 0.4666772E+01 Ellipticity 0.1616436E-01 Gb(Abramov) 0.2248419E+00 Vb(Abramov) -0.2940259E+00 Hb(Abramov) -0.6918401E-01 Ex_ueg -0.5866234E-01 Ec_ueg -0.8418996E-02 Delta_ex -0.6680461E-01 Delta_ec 0.1577525E-01 Delta_et -0.2098504E+00 Pxc 0.6967854E+01 Qxc -0.4234775E+01 3,-1 168 3 -1 1.837980 2.784377 0.544998 Rho 0.1130546E+00 |GRAD(Rho)| 0.3090446E-15 GRAD(Rho)x 0.2664359E-15 GRAD(Rho)y -0.3717458E-16 GRAD(Rho)z -0.1521136E-15 Laplacian 0.4779006E+00 (-1/4)Del**2(Rho)) -0.1194751E+00 Diamond 0.6918264E+00 Metallicity 0.3811442E+01 Ellipticity 0.1432826E-01 Gb(Abramov) 0.1555455E+00 Vb(Abramov) -0.1916159E+00 Hb(Abramov) -0.3607038E-01 Ex_ueg -0.4037408E-01 Ec_ueg -0.6122422E-02 Delta_ex -0.4797355E-01 Delta_ec 0.1303477E-01 Delta_et -0.1658577E+00 Pxc 0.6594463E+01 Qxc -0.3680430E+01 3,-1 169 3 -1 2.729464 -1.839161 -0.613927 Rho 0.1455274E+00 |GRAD(Rho)| 0.4821134E-15 GRAD(Rho)x -0.2044466E-15 GRAD(Rho)y -0.3623133E-15 GRAD(Rho)z 0.2436473E-15 Laplacian 0.5968136E+00 (-1/4)Del**2(Rho)) -0.1492034E+00 Diamond 0.1167340E+01 Metallicity 0.4648887E+01 Ellipticity 0.8012153E-02 Gb(Abramov) 0.2150739E+00 Vb(Abramov) -0.2809444E+00 Hb(Abramov) -0.6587048E-01 Ex_ueg -0.5653421E-01 Ec_ueg -0.8157819E-02 Delta_ex -0.6362918E-01 Delta_ec 0.1527636E-01 Delta_et -0.2025323E+00 Pxc 0.6930064E+01 Qxc -0.4165205E+01 3,-1 170 3 -1 2.759528 -0.621042 -1.857434 Rho 0.1242920E+00 |GRAD(Rho)| 0.1044188E-14 GRAD(Rho)x -0.2061136E-15 GRAD(Rho)y -0.7760245E-15 GRAD(Rho)z 0.6675568E-15 Laplacian 0.5042485E+00 (-1/4)Del**2(Rho)) -0.1260621E+00 Diamond 0.8115772E+00 Metallicity 0.4230327E+01 Ellipticity 0.8821170E-02 Gb(Abramov) 0.1729221E+00 Vb(Abramov) -0.2197821E+00 Hb(Abramov) -0.4685997E-01 Ex_ueg -0.4581166E-01 Ec_ueg -0.6818767E-02 Delta_ex -0.5168890E-01 Delta_ec 0.1330534E-01 Delta_et -0.1719039E+00 Pxc 0.6718467E+01 Qxc -0.3884825E+01 3,-1 171 3 -1 2.975285 -0.859931 2.023480 Rho 0.1677878E+00 |GRAD(Rho)| 0.2348081E-15 GRAD(Rho)x -0.9188613E-16 GRAD(Rho)y -0.2160815E-15 GRAD(Rho)z 0.7589415E-18 Laplacian 0.6489158E+00 (-1/4)Del**2(Rho)) -0.1622289E+00 Diamond 0.1487638E+01 Metallicity 0.5420328E+01 Ellipticity 0.6440888E-01 Gb(Abramov) 0.2547083E+00 Vb(Abramov) -0.3471877E+00 Hb(Abramov) -0.9247936E-01 Ex_ueg -0.6834902E-01 Ec_ueg -0.9591751E-02 Delta_ex -0.7150394E-01 Delta_ec 0.1574688E-01 Delta_et -0.2119798E+00 Pxc 0.7125813E+01 Qxc -0.4540833E+01 3,-1 172 3 -1 3.061953 2.004811 -0.846052 Rho 0.1892560E+00 |GRAD(Rho)| 0.4200192E-14 GRAD(Rho)x -0.3669347E-14 GRAD(Rho)y -0.2006153E-14 GRAD(Rho)z -0.3909633E-15 Laplacian 0.7344767E+00 (-1/4)Del**2(Rho)) -0.1836192E+00 Diamond 0.1957734E+01 Metallicity 0.5853083E+01 Ellipticity 0.5047141E-01 Gb(Abramov) 0.3015358E+00 Vb(Abramov) -0.4194525E+00 Hb(Abramov) -0.1179166E+00 Ex_ueg -0.8025116E-01 Ec_ueg -0.1100226E-01 Delta_ex -0.8351378E-01 Delta_ec 0.1742065E-01 Delta_et -0.2379177E+00 Pxc 0.7294059E+01 Qxc -0.4793952E+01 3,-1 173 3 -1 2.924472 -2.006447 0.818805 Rho 0.8552334E-01 |GRAD(Rho)| 0.1525992E-13 GRAD(Rho)x -0.1277792E-13 GRAD(Rho)y 0.8022169E-14 GRAD(Rho)z 0.2287924E-14 Laplacian 0.3382625E+00 (-1/4)Del**2(Rho)) -0.8456561E-01 Diamond 0.3458238E+00 Metallicity 0.3381950E+01 Ellipticity 0.3268078E-02 Gb(Abramov) 0.1040432E+00 Vb(Abramov) -0.1235208E+00 Hb(Abramov) -0.1947757E-01 Ex_ueg -0.2782902E-01 Ec_ueg -0.4456800E-02 Delta_ex -0.3174630E-01 Delta_ec 0.9663322E-02 Delta_et -0.1161149E+00 Pxc 0.6244171E+01 Qxc -0.3285237E+01 3,-1 174 3 -1 2.930272 0.038256 -0.001823 Rho 0.4864735E-02 |GRAD(Rho)| 0.8830263E-17 GRAD(Rho)x 0.6709507E-17 GRAD(Rho)y -0.4348374E-17 GRAD(Rho)z -0.3748027E-17 Laplacian 0.1938753E-01 (-1/4)Del**2(Rho)) -0.4846882E-02 Diamond 0.5001540E-03 Metallicity 0.4964278E+00 Ellipticity 0.6058528E+01 Gb(Abramov) 0.3632276E-02 Vb(Abramov) -0.2417670E-02 Hb(Abramov) 0.1214606E-02 Ex_ueg -0.6087851E-03 Ec_ueg -0.1410965E-03 Delta_ex -0.1020878E-02 Delta_ec 0.7212398E-03 Delta_et -0.3839896E-02 Pxc 0.4314673E+01 Qxc -0.1415449E+01 3,-1 175 3 -1 3.250428 3.195498 0.065938 Rho 0.2395345E+00 |GRAD(Rho)| 0.3594892E-12 GRAD(Rho)x -0.2394194E-12 GRAD(Rho)y -0.2569368E-12 GRAD(Rho)z -0.7677404E-13 Laplacian 0.8700627E+00 (-1/4)Del**2(Rho)) -0.2175157E+00 Diamond 0.3072168E+01 Metallicity 0.7317163E+01 Ellipticity 0.4024100E-02 Gb(Abramov) 0.4102767E+00 Vb(Abramov) -0.6030378E+00 Hb(Abramov) -0.1927610E+00 Ex_ueg -0.1098692E+00 Ec_ueg -0.1440694E-01 Delta_ex -0.1050796E+00 Delta_ec 0.1925232E-01 Delta_et -0.2667523E+00 Pxc 0.7626127E+01 Qxc -0.5458024E+01 3,-1 176 3 -1 3.252680 -0.083402 -3.231197 Rho 0.2226510E+00 |GRAD(Rho)| 0.5239763E-15 GRAD(Rho)x 0.7692414E-16 GRAD(Rho)y -0.3587354E-16 GRAD(Rho)z -0.5170560E-15 Laplacian 0.8076713E+00 (-1/4)Del**2(Rho)) -0.2019178E+00 Diamond 0.2620794E+01 Metallicity 0.6978354E+01 Ellipticity 0.1622554E-01 Gb(Abramov) 0.3694542E+00 Vb(Abramov) -0.5369906E+00 Hb(Abramov) -0.1675364E+00 Ex_ueg -0.9966698E-01 Ec_ueg -0.1324808E-01 Delta_ex -0.9576149E-01 Delta_ec 0.1835091E-01 Delta_et -0.2538148E+00 Pxc 0.7523127E+01 Qxc -0.5218351E+01 3,-1 177 3 -1 3.169199 0.032852 3.228097 Rho 0.2290095E+00 |GRAD(Rho)| 0.8008433E-15 GRAD(Rho)x -0.6752411E-15 GRAD(Rho)y -0.2964209E-15 GRAD(Rho)z -0.3123044E-15 Laplacian 0.8195136E+00 (-1/4)Del**2(Rho)) -0.2048784E+00 Diamond 0.2755703E+01 Metallicity 0.7207966E+01 Ellipticity 0.3745425E-02 Gb(Abramov) 0.3827117E+00 Vb(Abramov) -0.5605449E+00 Hb(Abramov) -0.1778333E+00 Ex_ueg -0.1034800E+00 Ec_ueg -0.1368268E-01 Delta_ex -0.9790456E-01 Delta_ec 0.1851912E-01 Delta_et -0.2567238E+00 Pxc 0.7562845E+01 Qxc -0.5286675E+01 3,-1 178 3 -1 2.997226 0.815823 -2.021527 Rho 0.7130879E-01 |GRAD(Rho)| 0.2118951E-15 GRAD(Rho)x 0.1479741E-15 GRAD(Rho)y -0.1437855E-15 GRAD(Rho)z -0.4825886E-16 Laplacian 0.2882431E+00 (-1/4)Del**2(Rho)) -0.7206079E-01 Diamond 0.2354099E+00 Metallicity 0.2931519E+01 Ellipticity 0.1838889E-02 Gb(Abramov) 0.8324845E-01 Vb(Abramov) -0.9443611E-01 Hb(Abramov) -0.1118766E-01 Ex_ueg -0.2183949E-01 Ec_ueg -0.3622837E-02 Delta_ex -0.2593792E-01 Delta_ec 0.8500307E-02 Delta_et -0.9802067E-01 Pxc 0.6028284E+01 Qxc -0.3051409E+01 3,-1 179 3 -1 -3.354758 -3.096059 0.091003 Rho 0.2290957E+00 |GRAD(Rho)| 0.1544118E-14 GRAD(Rho)x -0.1354223E-14 GRAD(Rho)y 0.1945059E-15 GRAD(Rho)z -0.7159258E-15 Laplacian 0.8463062E+00 (-1/4)Del**2(Rho)) -0.2115766E+00 Diamond 0.2828844E+01 Metallicity 0.6984154E+01 Ellipticity 0.1836565E-02 Gb(Abramov) 0.3873316E+00 Vb(Abramov) -0.5630866E+00 Hb(Abramov) -0.1757550E+00 Ex_ueg -0.1035319E+00 Ec_ueg -0.1368859E-01 Delta_ex -0.1010119E+00 Delta_ec 0.1893803E-01 Delta_et -0.2617753E+00 Pxc 0.7563375E+01 Qxc -0.5333814E+01 3,-1 180 3 -1 -2.800444 1.732474 -0.541519 Rho 0.1933070E+00 |GRAD(Rho)| 0.2178804E-15 GRAD(Rho)x -0.9775438E-16 GRAD(Rho)y 0.1638772E-15 GRAD(Rho)z 0.1051676E-15 Laplacian 0.7889371E+00 (-1/4)Del**2(Rho)) -0.1972343E+00 Diamond 0.2132772E+01 Metallicity 0.5644818E+01 Ellipticity 0.1752917E-01 Gb(Abramov) 0.3170481E+00 Vb(Abramov) -0.4368619E+00 Hb(Abramov) -0.1198138E+00 Ex_ueg -0.8254961E-01 Ec_ueg -0.1127137E-01 Delta_ex -0.9001727E-01 Delta_ec 0.1829737E-01 Delta_et -0.2493470E+00 Pxc 0.7323831E+01 Qxc -0.4919684E+01 3,-1 181 3 -1 -3.012720 1.930343 0.879699 Rho 0.1358212E+00 |GRAD(Rho)| 0.1980781E-15 GRAD(Rho)x 0.3207883E-16 GRAD(Rho)y 0.8757643E-16 GRAD(Rho)z -0.1747463E-15 Laplacian 0.5259337E+00 (-1/4)Del**2(Rho)) -0.1314834E+00 Diamond 0.9548276E+00 Metallicity 0.4702134E+01 Ellipticity 0.3340598E-01 Gb(Abramov) 0.1906977E+00 Vb(Abramov) -0.2499120E+00 Hb(Abramov) -0.5921431E-01 Ex_ueg -0.5156346E-01 Ec_ueg -0.7542144E-02 Delta_ex -0.5522808E-01 Delta_ec 0.1385256E-01 Delta_et -0.1820833E+00 Pxc 0.6836710E+01 Qxc -0.3986851E+01 3,-1 182 3 -1 -0.545068 1.780650 -2.762746 Rho 0.1395633E+00 |GRAD(Rho)| 0.1437774E-15 GRAD(Rho)x 0.6495726E-16 GRAD(Rho)y -0.1204007E-15 GRAD(Rho)z 0.4422867E-16 Laplacian 0.5905458E+00 (-1/4)Del**2(Rho)) -0.1476364E+00 Diamond 0.1092365E+01 Metallicity 0.4381723E+01 Ellipticity 0.1423522E-01 Gb(Abramov) 0.2062413E+00 Vb(Abramov) -0.2648462E+00 Hb(Abramov) -0.5860486E-01 Ex_ueg -0.5346629E-01 Ec_ueg -0.7778799E-02 Delta_ex -0.6225439E-01 Delta_ec 0.1515225E-01 Delta_et -0.1993994E+00 Pxc 0.6873334E+01 Qxc -0.4108589E+01 3,-1 183 3 -1 0.100262 3.228607 3.163734 Rho 0.2386662E+00 |GRAD(Rho)| 0.3820214E-15 GRAD(Rho)x -0.7063577E-16 GRAD(Rho)y -0.1838807E-15 GRAD(Rho)z -0.3273206E-15 Laplacian 0.8751841E+00 (-1/4)Del**2(Rho)) -0.2187960E+00 Diamond 0.3069019E+01 Metallicity 0.7230449E+01 Ellipticity 0.3680926E-02 Gb(Abramov) 0.4095296E+00 Vb(Abramov) -0.6002632E+00 Hb(Abramov) -0.1907336E+00 Ex_ueg -0.1093385E+00 Ec_ueg -0.1434696E-01 Delta_ex -0.1055564E+00 Delta_ec 0.1931221E-01 Delta_et -0.2672223E+00 Pxc 0.7621019E+01 Qxc -0.5465788E+01 3,-1 184 3 -1 2.762925 0.553451 1.844214 Rho 0.1194178E+00 |GRAD(Rho)| 0.1587410E-13 GRAD(Rho)x -0.1134272E-14 GRAD(Rho)y -0.1051098E-13 GRAD(Rho)z 0.1184144E-13 Laplacian 0.5024366E+00 (-1/4)Del**2(Rho)) -0.1256092E+00 Diamond 0.7666590E+00 Metallicity 0.3971733E+01 Ellipticity 0.1307248E-01 Gb(Abramov) 0.1668871E+00 Vb(Abramov) -0.2081651E+00 Hb(Abramov) -0.4127796E-01 Ex_ueg -0.4343205E-01 Ec_ueg -0.6515638E-02 Delta_ex -0.5095806E-01 Delta_ec 0.1328576E-01 Delta_et -0.1703227E+00 Pxc 0.6665816E+01 Qxc -0.3835539E+01 3,-1 185 3 -1 3.165723 -3.222444 -0.097586 Rho 0.2337190E+00 |GRAD(Rho)| 0.3337821E-15 GRAD(Rho)x -0.3308985E-15 GRAD(Rho)y 0.3762182E-16 GRAD(Rho)z 0.2238877E-16 Laplacian 0.8680504E+00 (-1/4)Del**2(Rho)) -0.2170126E+00 Diamond 0.2964402E+01 Metallicity 0.7039764E+01 Ellipticity 0.1415338E-01 Gb(Abramov) 0.3992947E+00 Vb(Abramov) -0.5815767E+00 Hb(Abramov) -0.1822821E+00 Ex_ueg -0.1063270E+00 Ec_ueg -0.1400600E-01 Delta_ex -0.1041045E+00 Delta_ec 0.1923573E-01 Delta_et -0.2657961E+00 Pxc 0.7591532E+01 Qxc -0.5412038E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 140 110 125 141 145 131 142 129 123 122 134 182 126 113 153 139 118 133 138 105 114 183 111 169 158 173 157 185 152 167 168 172 163 175 65 180 94 181 95 59 91 77 56 61 85 179 55 73 98 63 81 70 69 68 97 74 88 72 112 184 165 171 161 177 154 170 162 178 166 176 54 66 174 146 109 93 127 130 101 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 17 18 21 21 22 25 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 28 19 20 28 36 24 27 52 52 2.407189 2.000366 1.863808 2.000134 1.915653 1.734085 1.712330 1.687768 1.717694 1.722160 2.343704 1.939445 1.941773 1.926451 1.946943 1.742572 2.403479 1.904116 1.874637 2.030602 1.923884 1.745563 2.353980 1.925761 1.770038 2.151317 2.013938 1.753452 2.475754 1.913705 2.024564 1.834700 1.962420 1.744318 2.373361 1.818780 1.951263 1.964910 2.022184 1.749772 2.369190 1.894972 2.076997 1.896112 1.951753 1.733607 2.338472 2.206001 1.951219 2.033804 1.745102 1.746734 2.426628 2.022604 1.898515 1.957875 1.895670 1.733235 2.487353 1.978399 2.003821 1.856653 1.924570 1.734711 2.440825 1.964798 1.740225 2.204208 2.007147 1.745769 3.174182 3.184025 3.325128 3.080811 3.245397 3.228280 3.216062 1.838694 0.999827 2.408783 2.001017 1.864566 2.001028 1.916381 1.734104 1.712341 1.687826 1.717713 1.722168 2.345391 1.939874 1.942267 1.927089 1.947551 1.742582 2.405434 1.904596 1.874996 2.031107 1.924473 1.745571 2.355584 1.926244 1.770122 2.151917 2.014536 1.753472 2.477386 1.914202 2.024897 1.835025 1.963017 1.744334 2.374818 1.819099 1.951601 1.965481 2.022703 1.749787 2.371476 1.895772 2.077560 1.896820 1.953254 1.733638 2.340868 2.206527 1.951721 2.034496 1.745147 1.746770 2.428169 2.023189 1.899248 1.958703 1.896308 1.733255 2.488898 1.979018 2.004644 1.857220 1.925260 1.734733 2.442508 1.965325 1.740292 2.205032 2.007912 1.745813 3.179130 3.191704 3.330020 3.095296 3.248523 3.238476 3.220794 1.841446 0.999957 31 26 26 28 26 23 22 23 23 22 30 28 26 28 28 23 31 28 29 27 28 25 30 27 24 29 26 25 32 27 27 25 27 28 30 24 26 26 28 24 30 27 27 26 26 23 30 28 27 26 24 24 30 26 28 26 28 24 33 27 26 25 26 24 29 27 24 29 26 25 35 35 35 33 35 35 35 27 23 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Mo As W W W W W Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.3210 2.4290 2.4514 2.4598 2.3577 2.4399 2.4465 2.3014 2.2344 2.3214 2.2904 2.2201 -1.1225 -1.0295 -1.1189 -1.1192 -0.8985 -0.9677 -0.9118 -0.9417 -0.6903 -0.9358 -0.9510 -0.9017 -0.9664 -0.8951 -0.9574 -0.8272 -0.9005 -0.9207 -0.9320 -0.9405 -0.9114 -0.9523 -0.9235 -0.7178 -0.7664 -0.9819 -0.9353 -0.9727 -0.7298 -0.7591 -0.7989 -0.8145 -0.8288 -0.8122 -0.8242 -0.7224 -0.7497 -0.7299 -0.7354 0.3214 1.9310 0.8316 2.0971 2.0909 2.1264 2.0944 2.0929 1.9628 1.9902 1.9500 1.9627 1.9922 1.9379 1.9508 1.9370 1.9336 1.9416 1.9347 1.9447 1.9333 1.9811 1.9349 1.9340 1.9405 1.9310 1.9443 1.9341 1.9654 1.9522 1.9460 1.9481 1.9435 1.9449 1.9427 1.9468 1.9715 1.8797 1.9426 1.9463 1.9410 1.9735 1.9697 1.9640 1.9619 1.9593 1.9625 1.9606 1.9738 1.9689 1.9739 1.9733 0.5363 6.0811 1.1883 6.1000 6.0913 6.1133 6.0959 6.0932 6.0881 6.0976 6.0714 6.0917 6.1038 5.1475 5.0418 5.1453 5.1487 4.9313 5.0058 4.9372 4.9811 4.6758 4.9738 4.9902 4.9352 5.0061 4.9238 4.9932 4.8286 4.9205 4.9471 4.9543 4.9680 4.9394 4.9806 4.9470 4.7152 4.8583 5.0095 4.9595 5.0001 4.7237 4.7587 4.8000 4.8182 4.8363 4.8152 4.8299 4.7160 4.7502 4.7233 4.7296 0.1423 3.6669 10.5511 3.3220 3.3284 3.3740 3.3406 3.3379 3.6478 3.6778 3.6572 3.6553 3.6838 0.0371 0.0369 0.0367 0.0368 0.0255 0.0272 0.0298 0.0273 0.0334 0.0271 0.0268 0.0260 0.0293 0.0270 0.0302 0.0332 0.0277 0.0276 0.0296 0.0290 0.0270 0.0290 0.0297 0.0311 0.0285 0.0298 0.0295 0.0316 0.0326 0.0307 0.0349 0.0343 0.0332 0.0346 0.0337 0.0326 0.0306 0.0327 0.0325 0.0000 0.0000 0.0000 14.0295 14.0296 14.0286 14.0291 14.0295 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 Mo As W W W W W Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 3.170472 2.311585 2.513239 2.503772 2.474003 2.498477 2.495189 3.177064 3.156803 3.170522 3.170004 3.133086 -1.162638 -1.120055 -1.128492 -1.133562 -1.183189 -1.095668 -1.013422 -1.079462 -0.979901 -1.074195 -1.087787 -1.186744 -0.974921 -1.166926 -0.965046 -0.805387 -1.078734 -1.165936 -1.012957 -1.066643 -1.171815 -1.059789 -1.074560 -0.989898 -0.721006 -0.966875 -1.072712 -0.957698 -1.000398 -1.037674 -0.834799 -0.853463 -0.873664 -0.850389 -0.866131 -0.990880 -1.022800 -1.001488 -1.009200 0.062686 2.373723 1.709587 1.945175 1.941548 1.926921 1.942008 1.928809 2.367907 2.351754 2.371064 2.361888 2.337093 -0.835381 -0.831524 -0.789907 -0.794893 -0.919360 -0.832645 -0.811131 -0.826537 -0.771356 -0.827385 -0.821174 -0.924972 -0.725984 -0.911849 -0.734690 -0.663609 -0.883332 -0.934551 -0.867959 -0.867165 -0.951759 -0.872569 -0.872166 -0.779975 -0.866367 -0.805137 -0.867386 -0.785154 -0.772263 -0.828723 -0.734272 -0.750621 -0.770752 -0.748382 -0.766343 -0.747120 -0.815599 -0.777156 -0.786985 0.316656 2.461417 1.682617 2.051033 2.041531 2.008612 2.041848 2.027030 2.498648 2.444803 2.458758 2.450088 2.412140 -0.864067 -0.881135 -0.829842 -0.836436 -1.007790 -0.914935 -0.863099 -0.919025 -0.776200 -0.907686 -0.928368 -0.996029 -0.809136 -1.029759 -0.811746 -0.744201 -0.909373 -0.981090 -0.890188 -0.909223 -0.984704 -0.923100 -0.895675 -0.768339 -0.918986 -0.848619 -0.917034 -0.819168 -0.730035 -0.801795 -0.697872 -0.714220 -0.731492 -0.715962 -0.730079 -0.731316 -0.800834 -0.740920 -0.750567 0.451521 -1.27842901 -3.78801753 0.94071907 4.10711698 -14.97567785 6.90694196 -2.76847269 4.54770423 6.38010231 10.42797362 -347.3953 407.8347 -94.9966 -367.8827 -42.7103 -445.1501 Jun10-2024 16:20:59 Nodes: 1 Procs: 1 Jun10-2024 16:21:02 Nodes: 1 Procs: 1 0 Jun10-2024 16:21:07 Nodes: 1 Procs: 1 Jun10-2024 16:21:09 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:21:13 Nodes: 1 Procs: 1 Jun10-2024 16:21:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:21:19 Nodes: 1 Procs: 1 Jun10-2024 16:21:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 16:21:24 Nodes: 1 Procs: 1 Jun10-2024 16:21:27 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 16:21:34 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -15.76820033 -16.16729534 -16.00948702 -16.10337456 -16.25326000 -16.28855249 -16.32802223 -16.33221002 -16.33369008 -16.33714011 -16.34196130 -16.34621722 -16.34919250 -16.35036688 -16.35389724 -16.35540362 -16.35663320 -16.35751439 -16.35798386 -16.35827907 -16.35838213 -16.35853249 -16.35865886 -16.35872740 -16.35879657 -16.35884812 -16.35888174 -16.35892076 -16.35894387 -16.35895716 -16.35896665 GEOMETRY CONVERGED