ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May07-2024 12:41:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 0.02 0.41 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 May07-2024 12:41:27 Nodes: 1 Procs: 1 May07-2024 12:41:27 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May07-2024 12:41:28 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 May07-2024 12:41:27 Nodes: 1 Procs: 1 May07-2024 12:41:27 Nodes: 1 Procs: 1 0 May07-2024 12:41:28 Nodes: 1 Procs: 1 May07-2024 12:41:28 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May07-2024 12:41:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.04 1.42 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 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 407.2741 82466.5953 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 May07-2024 12:41:27 Nodes: 1 Procs: 1 May07-2024 12:41:27 Nodes: 1 Procs: 1 0 May07-2024 12:41:28 Nodes: 1 Procs: 1 May07-2024 12:41:28 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May07-2024 12:41:29 Nodes: 1 Procs: 1 May07-2024 12:41:30 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May07-2024 12:41:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.03 0.52 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 May07-2024 12:41:27 Nodes: 1 Procs: 1 May07-2024 12:41:27 Nodes: 1 Procs: 1 0 May07-2024 12:41:28 Nodes: 1 Procs: 1 May07-2024 12:41:28 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May07-2024 12:41:29 Nodes: 1 Procs: 1 May07-2024 12:41:30 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 May07-2024 12:41:31 Nodes: 1 Procs: 1 May07-2024 12:41:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May07-2024 12:41:32 Hydrogen (TZP) kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.03 1.42 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 May07-2024 12:41:27 Nodes: 1 Procs: 1 May07-2024 12:41:27 Nodes: 1 Procs: 1 0 May07-2024 12:41:28 Nodes: 1 Procs: 1 May07-2024 12:41:28 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May07-2024 12:41:29 Nodes: 1 Procs: 1 May07-2024 12:41:30 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 May07-2024 12:41:31 Nodes: 1 Procs: 1 May07-2024 12:41:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May07-2024 12:41:32 Nodes: 1 Procs: 1 May07-2024 12:41:33 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May07-2024 12:41:35 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2871.245561000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 May07-2024 12:41:33 1 1 Tungsten TZP 4d t21.Ta ADF 2019 May07-2024 12:41:30 1 1 Tantalum TZP 4d t21.O ADF 2019 May07-2024 12:41:32 1 1 Oxygen TZP 1s t21.P ADF 2019 May07-2024 12:41:28 1 1 Phosphorus TZP 1s t21.H ADF 2019 May07-2024 12:41:27 1 1 Hydrogen TZP 1 1 -16.71348233 0.26022491 0.00100000 F 0.10640769 0.00066667 F 0.26022491 0.10640769 0.13970843 0.01000000 F 0.04839516 0.00666667 F Cartesian 2871.245561000006 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287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 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 -7.255 -7.204 -7.195 -7.151 -7.139 -7.079 -7.065 -6.835 -6.828 -6.700 -3.938 -3.894 -3.718 -3.683 -3.603 -3.494 -3.471 -3.441 -3.267 -2.967 A A A A A A A A A A A A A A A A A A A A 0.00000000065193 0.00049804916756 0.00036057893343 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 74 74 74 74 74 74 74 74 74 74 73 73 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 8 15 1 1 0.057533 -2.513011 2.624585 0.169192 2.502353 -2.584748 -0.092355 2.574064 2.555245 2.513459 -2.520317 0.155187 2.573316 2.540358 -0.103097 -2.488360 2.503050 0.064002 -2.545752 -2.567138 -0.082654 -2.504390 -0.171530 -2.578113 -2.575521 0.115282 2.557099 2.530293 -0.056794 2.614718 -0.061473 -2.620254 -2.578506 2.614133 0.045191 -2.585170 0.893166 -0.888491 0.894368 -0.895464 -0.904995 -0.909055 0.908546 0.893893 -0.914859 -0.908088 0.916852 0.869289 -3.007995 -1.131346 1.190583 3.075963 -1.238589 -1.045914 -2.978313 1.162093 -1.124220 3.000834 1.190440 1.236566 1.255843 -1.270007 -3.052849 1.149564 1.214136 3.089255 -1.150000 1.142169 -2.994487 -1.200217 -1.124019 3.086110 -1.143870 2.982453 -1.141441 -1.195339 -2.995223 1.251296 1.137673 3.004037 1.173516 1.231775 -3.084911 -1.038981 3.332848 -1.484552 1.585359 -3.388994 -1.475401 -1.458819 3.428621 1.524945 -1.422881 -3.371877 1.527624 1.474379 1.440929 -1.427165 3.446732 1.529852 1.529750 -3.435597 -1.513576 1.532602 3.367588 -1.547453 -1.538501 -3.430724 -1.536612 -3.424691 -1.407161 -1.519127 3.376542 1.458533 1.476746 -3.326199 1.595362 1.488572 3.386084 -1.478791 -0.223956 -3.703239 3.838089 0.218302 -3.919882 -3.733103 -0.194487 3.734445 -3.735699 0.163644 3.814789 3.724039 3.824018 -3.835338 -0.001137 3.728650 3.778210 0.231043 -3.775190 3.813270 -0.247549 -3.786353 -3.719428 0.251736 -3.746083 0.198808 -3.716100 -3.802360 -0.141165 3.741251 3.731471 0.223802 3.816953 3.905291 -0.239793 -3.748491 -0.000643 0.004982 -0.027550 -4.284396 3.846238 -1.085665 4.058006 -4.228281 -0.869221 1 3 -3 0.057533 -2.513011 2.624585 Rho 0.4361414E+07 3,-3 2 3 -3 0.169192 2.502353 -2.584748 Rho 0.4361414E+07 3,-3 3 3 -3 -0.092355 2.574064 2.555245 Rho 0.4361414E+07 3,-3 4 3 -3 2.513459 -2.520317 0.155187 Rho 0.4361414E+07 3,-3 5 3 -3 2.573316 2.540358 -0.103097 Rho 0.4361414E+07 3,-3 6 3 -3 -2.488360 2.503050 0.064002 Rho 0.4361414E+07 3,-3 7 3 -3 -2.545752 -2.567138 -0.082654 Rho 0.4361414E+07 3,-3 8 3 -3 -2.504390 -0.171530 -2.578113 Rho 0.4361414E+07 3,-3 9 3 -3 -2.575521 0.115282 2.557099 Rho 0.4361414E+07 3,-3 10 3 -3 2.530293 -0.056794 2.614718 Rho 0.4361414E+07 3,-3 11 3 -3 -0.061473 -2.620254 -2.578506 Rho 0.3882646E+07 3,-3 12 3 -3 2.614133 0.045191 -2.585170 Rho 0.3882646E+07 3,-3 13 3 -3 0.893166 -0.888491 0.894368 Rho 0.3187914E+03 3,-3 14 3 -3 -0.895464 -0.904995 -0.909055 Rho 0.3187789E+03 3,-3 15 3 -3 0.908546 0.893893 -0.914859 Rho 0.3187786E+03 3,-3 16 3 -3 -0.908088 0.916852 0.869289 Rho 0.3187794E+03 3,-3 17 3 -3 -3.007995 -1.131346 1.190583 Rho 0.3188805E+03 3,-3 18 3 -3 3.075963 -1.238589 -1.045914 Rho 0.3189434E+03 3,-3 19 3 -3 -2.978313 1.162093 -1.124220 Rho 0.3189588E+03 3,-3 20 3 -3 3.000834 1.190440 1.236566 Rho 0.3188643E+03 3,-3 21 3 -3 1.255843 -1.270007 -3.052849 Rho 0.3188301E+03 3,-3 22 3 -3 1.149564 1.214136 3.089255 Rho 0.3188737E+03 3,-3 23 3 -3 -1.150000 1.142169 -2.994487 Rho 0.3188552E+03 3,-3 24 3 -3 -1.200217 -1.124019 3.086110 Rho 0.3188728E+03 3,-3 25 3 -3 -1.143870 2.982453 -1.141441 Rho 0.3189336E+03 3,-3 26 3 -3 -1.195339 -2.995223 1.251296 Rho 0.3188635E+03 3,-3 27 3 -3 1.137673 3.004037 1.173516 Rho 0.3188817E+03 3,-3 28 3 -3 1.231775 -3.084911 -1.038981 Rho 0.3189539E+03 3,-3 29 3 -3 3.332848 -1.484552 1.585359 Rho 0.3189853E+03 3,-3 30 3 -3 -3.388994 -1.475401 -1.458819 Rho 0.3189543E+03 3,-3 31 3 -3 3.428621 1.524945 -1.422881 Rho 0.3189652E+03 3,-3 32 3 -3 -3.371877 1.527624 1.474379 Rho 0.3189861E+03 3,-3 33 3 -3 1.440929 -1.427165 3.446732 Rho 0.3189575E+03 3,-3 34 3 -3 1.529852 1.529750 -3.435597 Rho 0.3189560E+03 3,-3 35 3 -3 -1.513576 1.532602 3.367588 Rho 0.3189611E+03 3,-3 36 3 -3 -1.547453 -1.538501 -3.430724 Rho 0.3189571E+03 3,-3 37 3 -3 -1.536612 -3.424691 -1.407161 Rho 0.3189637E+03 3,-3 38 3 -3 -1.519127 3.376542 1.458533 Rho 0.3189981E+03 3,-3 39 3 -3 1.476746 -3.326199 1.595362 Rho 0.3189831E+03 3,-3 40 3 -3 1.488572 3.386084 -1.478791 Rho 0.3189546E+03 3,-3 41 3 -3 -0.223956 -3.703239 3.838089 Rho 0.3194040E+03 3,-3 42 3 -3 0.218302 -3.919882 -3.733103 Rho 0.3192377E+03 3,-3 43 3 -3 -0.194487 3.734445 -3.735699 Rho 0.3193960E+03 3,-3 44 3 -3 0.163644 3.814789 3.724039 Rho 0.3194005E+03 3,-3 45 3 -3 3.824018 -3.835338 -0.001137 Rho 0.3186915E+03 3,-3 46 3 -3 3.728650 3.778210 0.231043 Rho 0.3193844E+03 3,-3 47 3 -3 -3.775190 3.813270 -0.247549 Rho 0.3186941E+03 3,-3 48 3 -3 -3.786353 -3.719428 0.251736 Rho 0.3193848E+03 3,-3 49 3 -3 -3.746083 0.198808 -3.716100 Rho 0.3193995E+03 3,-3 50 3 -3 -3.802360 -0.141165 3.741251 Rho 0.3193966E+03 3,-3 51 3 -3 3.731471 0.223802 3.816953 Rho 0.3194066E+03 3,-3 52 3 -3 3.905291 -0.239793 -3.748491 Rho 0.3192354E+03 3,-3 53 3 -3 -0.000643 0.004982 -0.027550 Rho 0.2439511E+04 3,-3 54 3 -3 -4.284396 3.846238 -1.085665 Rho 0.4459925E+00 3,-3 55 3 -3 4.058006 -4.228281 -0.869221 Rho 0.4465545E+00 3,-3 56 3 +1 -1.971511 -2.024948 -1.981966 Rho 0.1200719E-01 |GRAD(Rho)| 0.2087766E-15 GRAD(Rho)x 0.1334088E-15 GRAD(Rho)y 0.3290633E-16 GRAD(Rho)z 0.1571844E-15 Laplacian 0.5364190E-01 (-1/4)Del**2(Rho)) -0.1341048E-01 Diamond 0.1719932E-02 Metallicity 0.8088066E+00 Ellipticity -0.1167288E+01 Gb(Abramov) 0.1074806E-01 Vb(Abramov) -0.8085652E-02 Hb(Abramov) 0.2662412E-02 Ex_ueg -0.2030674E-02 Ec_ueg -0.4599010E-03 Delta_ex -0.2512624E-02 Delta_ec 0.4739359E-03 Delta_et -0.3725055E-02 Pxc 0.4415460E+01 Qxc -0.5301610E+01 3,+1 57 3 +1 -1.771167 -1.724676 1.815125 Rho 0.1251163E-01 |GRAD(Rho)| 0.4134098E-13 GRAD(Rho)x 0.5371664E-14 GRAD(Rho)y 0.2515940E-13 GRAD(Rho)z 0.3236087E-13 Laplacian 0.6318513E-01 (-1/4)Del**2(Rho)) -0.1579628E-01 Diamond 0.2660920E-02 Metallicity 0.7353959E+00 Ellipticity -0.1251420E+01 Gb(Abramov) 0.1246694E-01 Vb(Abramov) -0.9137601E-02 Hb(Abramov) 0.3329340E-02 Ex_ueg -0.2145211E-02 Ec_ueg -0.4832386E-03 Delta_ex -0.3134766E-02 Delta_ec 0.8103008E-03 Delta_et -0.6145533E-02 Pxc 0.4439238E+01 Qxc -0.3868644E+01 3,+1 58 3 -1 -3.217777 -3.191408 0.097985 Rho 0.2518244E+00 |GRAD(Rho)| 0.1445074E-13 GRAD(Rho)x 0.1034014E-13 GRAD(Rho)y 0.9665988E-14 GRAD(Rho)z -0.2911002E-14 Laplacian 0.9033309E+00 (-1/4)Del**2(Rho)) -0.2258327E+00 Diamond 0.3383769E+01 Metallicity 0.7660599E+01 Ellipticity 0.3955303E-02 Gb(Abramov) 0.4388908E+00 Vb(Abramov) -0.6519488E+00 Hb(Abramov) -0.2130581E+00 Ex_ueg -0.1174489E+00 Ec_ueg -0.1526033E-01 Delta_ex -0.1105167E+00 Delta_ec 0.1965620E-01 Delta_et -0.2725696E+00 Pxc 0.7696353E+01 Qxc -0.5622485E+01 3,-1 59 3 +3 -1.092529 -1.079229 1.141786 Rho 0.4770254E-02 |GRAD(Rho)| 0.5720996E-15 GRAD(Rho)x -0.4093661E-15 GRAD(Rho)y -0.2765936E-15 GRAD(Rho)z 0.2884673E-15 Laplacian 0.1948345E-01 (-1/4)Del**2(Rho)) -0.4870862E-02 Diamond 0.1388898E-03 Metallicity 0.4780975E+00 Ellipticity -0.1808043E+00 Gb(Abramov) 0.3635366E-02 Vb(Abramov) -0.2399870E-02 Hb(Abramov) 0.1235496E-02 Ex_ueg -0.5930715E-03 Ec_ueg -0.1370393E-03 Delta_ex -0.6756088E-03 Delta_ec 0.1058032E-03 Delta_et -0.7728141E-03 Pxc 0.4327747E+01 Qxc -0.6385524E+01 3,+3 60 3 -1 -1.995208 -3.009868 -0.791096 Rho 0.1704242E+00 |GRAD(Rho)| 0.5112155E-15 GRAD(Rho)x 0.3805550E-15 GRAD(Rho)y -0.1474515E-15 GRAD(Rho)z -0.3078592E-15 Laplacian 0.6738169E+00 (-1/4)Del**2(Rho)) -0.1684542E+00 Diamond 0.1587383E+01 Metallicity 0.5357432E+01 Ellipticity 0.3248287E-01 Gb(Abramov) 0.2627165E+00 Vb(Abramov) -0.3569788E+00 Hb(Abramov) -0.9426227E-01 Ex_ueg -0.6978467E-01 Ec_ueg -0.9763533E-02 Delta_ex -0.7465141E-01 Delta_ec 0.1648702E-01 Delta_et -0.2229016E+00 Pxc 0.7147482E+01 Qxc -0.4527890E+01 3,-1 61 3 +1 -1.685130 -0.532625 0.523222 Rho 0.8651747E-02 |GRAD(Rho)| 0.1441871E-16 GRAD(Rho)x -0.6188944E-17 GRAD(Rho)y 0.8091258E-17 GRAD(Rho)z 0.1020430E-16 Laplacian 0.3609339E-01 (-1/4)Del**2(Rho)) -0.9023347E-02 Diamond 0.1043328E-02 Metallicity 0.6961324E+00 Ellipticity -0.1449927E+01 Gb(Abramov) 0.7062472E-02 Vb(Abramov) -0.5101597E-02 Hb(Abramov) 0.1960875E-02 Ex_ueg -0.1311767E-02 Ec_ueg -0.3072960E-03 Delta_ex -0.1682456E-02 Delta_ec 0.5633521E-03 Delta_et -0.3811456E-02 Pxc 0.4268742E+01 Qxc -0.2986509E+01 3,+1 62 3 +1 -0.565373 -1.678272 0.558148 Rho 0.8244936E-02 |GRAD(Rho)| 0.6664297E-12 GRAD(Rho)x 0.3012712E-12 GRAD(Rho)y -0.1841250E-12 GRAD(Rho)z 0.5652099E-12 Laplacian 0.3401405E-01 (-1/4)Del**2(Rho)) -0.8503511E-02 Diamond 0.9203972E-03 Metallicity 0.6817111E+00 Ellipticity -0.1442156E+01 Gb(Abramov) 0.6635164E-02 Vb(Abramov) -0.4766817E-02 Hb(Abramov) 0.1868347E-02 Ex_ueg -0.1230178E-02 Ec_ueg -0.2891217E-03 Delta_ex -0.1566482E-02 Delta_ec 0.5305048E-03 Delta_et -0.3544151E-02 Pxc 0.4254881E+01 Qxc -0.2952814E+01 3,+1 63 3 -1 -2.775248 -1.800703 0.592630 Rho 0.1280175E+00 |GRAD(Rho)| 0.3103758E-15 GRAD(Rho)x -0.2912777E-16 GRAD(Rho)y 0.2280077E-15 GRAD(Rho)z 0.2085598E-15 Laplacian 0.5436784E+00 (-1/4)Del**2(Rho)) -0.1359196E+00 Diamond 0.9148222E+00 Metallicity 0.4121481E+01 Ellipticity 0.1395592E-01 Gb(Abramov) 0.1839781E+00 Vb(Abramov) -0.2320366E+00 Hb(Abramov) -0.4805849E-01 Ex_ueg -0.4765161E-01 Ec_ueg -0.7051549E-02 Delta_ex -0.5622836E-01 Delta_ec 0.1442488E-01 Delta_et -0.1876106E+00 Pxc 0.6757609E+01 Qxc -0.3898013E+01 3,-1 64 3 +3 -0.046864 -2.382958 -0.000115 Rho 0.4098804E-02 |GRAD(Rho)| 0.4151786E-17 GRAD(Rho)x 0.4024462E-17 GRAD(Rho)y -0.4381741E-18 GRAD(Rho)z -0.9214312E-18 Laplacian 0.1703242E-01 (-1/4)Del**2(Rho)) -0.4258104E-02 Diamond 0.1388549E-03 Metallicity 0.4247163E+00 Ellipticity -0.3457472E+00 Gb(Abramov) 0.3140150E-02 Vb(Abramov) -0.2022197E-02 Hb(Abramov) 0.1117954E-02 Ex_ueg -0.4844638E-03 Ec_ueg -0.1083392E-03 Delta_ex -0.6154279E-03 Delta_ec 0.1792099E-03 Delta_et -0.1063617E-02 Pxc 0.4471730E+01 Qxc -0.3434117E+01 3,+3 65 3 +1 -0.123481 -2.949406 -0.054644 Rho 0.4631759E-02 |GRAD(Rho)| 0.7798708E-17 GRAD(Rho)x 0.6531448E-17 GRAD(Rho)y -0.1452322E-17 GRAD(Rho)z -0.4006345E-17 Laplacian 0.1903543E-01 (-1/4)Del**2(Rho)) -0.4758858E-02 Diamond 0.3973370E-03 Metallicity 0.4659011E+00 Ellipticity -0.2467356E+01 Gb(Abramov) 0.3542098E-02 Vb(Abramov) -0.2325338E-02 Hb(Abramov) 0.1216760E-02 Ex_ueg -0.5702252E-03 Ec_ueg -0.1311005E-03 Delta_ex -0.9293480E-03 Delta_ec 0.5935386E-03 Delta_et -0.3152537E-02 Pxc 0.4349528E+01 Qxc -0.1565775E+01 3,+1 66 3 +1 -2.915851 -0.146302 -0.133616 Rho 0.5282156E-02 |GRAD(Rho)| 0.1487721E-14 GRAD(Rho)x -0.1399683E-15 GRAD(Rho)y -0.1051621E-14 GRAD(Rho)z -0.1042984E-14 Laplacian 0.2223851E-01 (-1/4)Del**2(Rho)) -0.5559627E-02 Diamond 0.5340126E-03 Metallicity 0.4964318E+00 Ellipticity -0.2321380E+01 Gb(Abramov) 0.4166414E-02 Vb(Abramov) -0.2773201E-02 Hb(Abramov) 0.1393213E-02 Ex_ueg -0.6794123E-03 Ec_ueg -0.1590753E-03 Delta_ex -0.1096512E-02 Delta_ec 0.6628050E-03 Delta_et -0.3674439E-02 Pxc 0.4271011E+01 Qxc -0.1654351E+01 3,+1 67 3 -1 -1.824194 -2.777977 0.626621 Rho 0.1374835E+00 |GRAD(Rho)| 0.1536605E-15 GRAD(Rho)x -0.9851332E-16 GRAD(Rho)y 0.6430335E-16 GRAD(Rho)z -0.9885213E-16 Laplacian 0.5763276E+00 (-1/4)Del**2(Rho)) -0.1440819E+00 Diamond 0.1057661E+01 Metallicity 0.4378863E+01 Ellipticity 0.1343008E-01 Gb(Abramov) 0.2012071E+00 Vb(Abramov) -0.2583323E+00 Hb(Abramov) -0.5712518E-01 Ex_ueg -0.5240658E-01 Ec_ueg -0.7647157E-02 Delta_ex -0.6065298E-01 Delta_ec 0.1505444E-01 Delta_et -0.1980983E+00 Pxc 0.6853080E+01 Qxc -0.4028910E+01 3,-1 68 3 +3 -1.820162 -1.889834 -1.852041 Rho 0.1183466E-01 |GRAD(Rho)| 0.3604747E-14 GRAD(Rho)x 0.2028260E-14 GRAD(Rho)y 0.2207922E-14 GRAD(Rho)z 0.2001359E-14 Laplacian 0.5153880E-01 (-1/4)Del**2(Rho)) -0.1288470E-01 Diamond 0.1101923E-02 Metallicity 0.8217483E+00 Ellipticity -0.6934269E+00 Gb(Abramov) 0.1035446E-01 Vb(Abramov) -0.7824226E-02 Hb(Abramov) 0.2530237E-02 Ex_ueg -0.1991864E-02 Ec_ueg -0.4519419E-03 Delta_ex -0.2252014E-02 Delta_ec 0.1831690E-03 Delta_et -0.1744871E-02 Pxc 0.4407345E+01 Qxc -0.1229473E+02 3,+3 69 3 +1 -0.965466 -2.135142 -1.383177 Rho 0.2276931E-01 |GRAD(Rho)| 0.6251473E-16 GRAD(Rho)x 0.3393575E-16 GRAD(Rho)y 0.5217497E-16 GRAD(Rho)z 0.5850543E-17 Laplacian 0.8621951E-01 (-1/4)Del**2(Rho)) -0.2155488E-01 Diamond 0.8853988E-02 Metallicity 0.1461921E+01 Ellipticity -0.2392940E+01 Gb(Abramov) 0.1962184E-01 Vb(Abramov) -0.1768880E-01 Hb(Abramov) 0.1933037E-02 Ex_ueg -0.4766338E-02 Ec_ueg -0.9770716E-03 Delta_ex -0.5099980E-02 Delta_ec 0.1229896E-02 Delta_et -0.1067812E-01 Pxc 0.4878187E+01 Qxc -0.4146674E+01 3,+1 70 3 -1 0.089119 -3.320824 -3.201195 Rho 0.2304116E+00 |GRAD(Rho)| 0.8439571E-08 GRAD(Rho)x 0.1340510E-08 GRAD(Rho)y -0.6227432E-08 GRAD(Rho)z -0.5536108E-08 Laplacian 0.8398334E+00 (-1/4)Del**2(Rho)) -0.2099583E+00 Diamond 0.2822106E+01 Metallicity 0.7105489E+01 Ellipticity 0.6051289E-02 Gb(Abramov) 0.3886150E+00 Vb(Abramov) -0.5672717E+00 Hb(Abramov) -0.1786567E+00 Ex_ueg -0.1043256E+00 Ec_ueg -0.1377881E-01 Delta_ex -0.1003633E+00 Delta_ec 0.1871664E-01 Delta_et -0.2585921E+00 Pxc 0.7571450E+01 Qxc -0.5362253E+01 3,-1 71 3 -1 -0.094691 -3.157978 3.282202 Rho 0.2537649E+00 |GRAD(Rho)| 0.5246346E-15 GRAD(Rho)x -0.8307699E-16 GRAD(Rho)y -0.4821447E-15 GRAD(Rho)z 0.1894101E-15 Laplacian 0.9070965E+00 (-1/4)Del**2(Rho)) -0.2267741E+00 Diamond 0.3435417E+01 Metallicity 0.7727022E+01 Ellipticity 0.1243838E-02 Gb(Abramov) 0.4432309E+00 Vb(Abramov) -0.6596876E+00 Hb(Abramov) -0.2164567E+00 Ex_ueg -0.1186571E+00 Ec_ueg -0.1539582E-01 Delta_ex -0.1112310E+00 Delta_ec 0.1974491E-01 Delta_et -0.2740909E+00 Pxc 0.7707096E+01 Qxc -0.5633402E+01 3,-1 72 3 -1 -0.610285 -2.753195 1.888789 Rho 0.1465735E+00 |GRAD(Rho)| 0.3793776E-15 GRAD(Rho)x 0.3627469E-15 GRAD(Rho)y 0.4779299E-16 GRAD(Rho)z 0.1002887E-15 Laplacian 0.6203423E+00 (-1/4)Del**2(Rho)) -0.1550856E+00 Diamond 0.1220431E+01 Metallicity 0.4526273E+01 Ellipticity 0.1232540E-01 Gb(Abramov) 0.2203837E+00 Vb(Abramov) -0.2856817E+00 Hb(Abramov) -0.6529808E-01 Ex_ueg -0.5707671E-01 Ec_ueg -0.8224529E-02 Delta_ex -0.6621872E-01 Delta_ec 0.1578800E-01 Delta_et -0.2093921E+00 Pxc 0.6939815E+01 Qxc -0.4194243E+01 3,-1 73 3 -1 -0.467630 -1.723223 -1.706250 Rho 0.3323514E-01 |GRAD(Rho)| 0.1515782E-13 GRAD(Rho)x -0.1130387E-13 GRAD(Rho)y -0.7570884E-15 GRAD(Rho)z 0.1007020E-13 Laplacian 0.1380830E+00 (-1/4)Del**2(Rho)) -0.3452074E-01 Diamond 0.4287697E-01 Metallicity 0.1714492E+01 Ellipticity 0.1961814E-01 Gb(Abramov) 0.3287808E-01 Vb(Abramov) -0.3123543E-01 Hb(Abramov) 0.1642657E-02 Ex_ueg -0.7891902E-02 Ec_ueg -0.1511655E-02 Delta_ex -0.1047204E-01 Delta_ec 0.4484125E-02 Delta_et -0.4237031E-01 Pxc 0.5220703E+01 Qxc -0.2335358E+01 3,-1 74 3 +1 0.514582 -1.722715 -0.567243 Rho 0.8166157E-02 |GRAD(Rho)| 0.1231073E-16 GRAD(Rho)x -0.7614333E-17 GRAD(Rho)y -0.9596322E-17 GRAD(Rho)z 0.1219236E-17 Laplacian 0.3388468E-01 (-1/4)Del**2(Rho)) -0.8471170E-02 Diamond 0.9213084E-03 Metallicity 0.6734510E+00 Ellipticity -0.1450547E+01 Gb(Abramov) 0.6598267E-02 Vb(Abramov) -0.4725363E-02 Hb(Abramov) 0.1872904E-02 Ex_ueg -0.1214531E-02 Ec_ueg -0.2856108E-03 Delta_ex -0.1564695E-02 Delta_ec 0.5425427E-03 Delta_et -0.3604920E-02 Pxc 0.4252400E+01 Qxc -0.2884003E+01 3,+1 75 3 -1 -0.612241 -1.769516 2.853644 Rho 0.1432226E+00 |GRAD(Rho)| 0.3864954E-13 GRAD(Rho)x 0.2509418E-13 GRAD(Rho)y -0.2896163E-13 GRAD(Rho)z -0.5029207E-14 Laplacian 0.6039324E+00 (-1/4)Del**2(Rho)) -0.1509831E+00 Diamond 0.1160755E+01 Metallicity 0.4473465E+01 Ellipticity 0.7708142E-02 Gb(Abramov) 0.2132250E+00 Vb(Abramov) -0.2754669E+00 Hb(Abramov) -0.6224191E-01 Ex_ueg -0.5534357E-01 Ec_ueg -0.8011084E-02 Delta_ex -0.6415774E-01 Delta_ec 0.1555574E-01 Delta_et -0.2058349E+00 Pxc 0.6908374E+01 Qxc -0.4124378E+01 3,-1 76 3 +1 2.026553 1.961095 -1.994280 Rho 0.1200630E-01 |GRAD(Rho)| 0.9427685E-15 GRAD(Rho)x -0.2591661E-15 GRAD(Rho)y -0.2733519E-15 GRAD(Rho)z -0.8642477E-15 Laplacian 0.5366119E-01 (-1/4)Del**2(Rho)) -0.1341530E-01 Diamond 0.1718687E-02 Metallicity 0.8084158E+00 Ellipticity -0.1165888E+01 Gb(Abramov) 0.1075105E-01 Vb(Abramov) -0.8086811E-02 Hb(Abramov) 0.2664243E-02 Ex_ueg -0.2030473E-02 Ec_ueg -0.4598598E-03 Delta_ex -0.2512988E-02 Delta_ec 0.4732368E-03 Delta_et -0.3720483E-02 Pxc 0.4415418E+01 Qxc -0.5310213E+01 3,+1 77 3 +1 0.165877 2.912827 -0.154915 Rho 0.5381418E-02 |GRAD(Rho)| 0.6697144E-17 GRAD(Rho)x 0.1603319E-17 GRAD(Rho)y -0.5872283E-19 GRAD(Rho)z 0.6502127E-17 Laplacian 0.2263697E-01 (-1/4)Del**2(Rho)) -0.5659242E-02 Diamond 0.5513937E-03 Metallicity 0.5030635E+00 Ellipticity -0.2294929E+01 Gb(Abramov) 0.4247321E-02 Vb(Abramov) -0.2835400E-02 Hb(Abramov) 0.1411921E-02 Ex_ueg -0.6964887E-03 Ec_ueg -0.1633635E-03 Delta_ex -0.1115262E-02 Delta_ec 0.6657008E-03 Delta_et -0.3714839E-02 Pxc 0.4263428E+01 Qxc -0.1675320E+01 3,+1 78 3 +3 1.892947 1.813175 -1.864730 Rho 0.1184019E-01 |GRAD(Rho)| 0.2755183E-16 GRAD(Rho)x -0.1848111E-17 GRAD(Rho)y -0.2694280E-16 GRAD(Rho)z 0.5456488E-17 Laplacian 0.5161371E-01 (-1/4)Del**2(Rho)) -0.1290343E-01 Diamond 0.1108201E-02 Metallicity 0.8211942E+00 Ellipticity -0.6981693E+00 Gb(Abramov) 0.1036832E-01 Vb(Abramov) -0.7833215E-02 Hb(Abramov) 0.2535106E-02 Ex_ueg -0.1993104E-02 Ec_ueg -0.4521966E-03 Delta_ex -0.2256761E-02 Delta_ec 0.1855121E-03 Delta_et -0.1761386E-02 Pxc 0.4407604E+01 Qxc -0.1216504E+02 3,+3 79 3 +1 0.540293 1.683890 0.513124 Rho 0.8794572E-02 |GRAD(Rho)| 0.3725398E-16 GRAD(Rho)x -0.3408854E-16 GRAD(Rho)y -0.1317636E-16 GRAD(Rho)z 0.7225900E-17 Laplacian 0.3681311E-01 (-1/4)Del**2(Rho)) -0.9203277E-02 Diamond 0.1087211E-02 Metallicity 0.7014044E+00 Ellipticity -0.1451875E+01 Gb(Abramov) 0.7211388E-02 Vb(Abramov) -0.5219499E-02 Hb(Abramov) 0.1991889E-02 Ex_ueg -0.1340720E-02 Ec_ueg -0.3136942E-03 Delta_ex -0.1722615E-02 Delta_ec 0.5738803E-03 Delta_et -0.3899994E-02 Pxc 0.4273971E+01 Qxc -0.3001697E+01 3,+1 80 3 -1 1.704738 1.682264 -0.500637 Rho 0.3846774E-01 |GRAD(Rho)| 0.9485322E-16 GRAD(Rho)x 0.4729726E-16 GRAD(Rho)y 0.7825801E-16 GRAD(Rho)z 0.2521479E-16 Laplacian 0.1531876E+00 (-1/4)Del**2(Rho)) -0.3829691E-01 Diamond 0.5344711E-01 Metallicity 0.1971895E+01 Ellipticity 0.2089650E-01 Gb(Abramov) 0.3811752E-01 Vb(Abramov) -0.3793814E-01 Hb(Abramov) 0.1793882E-03 Ex_ueg -0.9590632E-02 Ec_ueg -0.1788108E-02 Delta_ex -0.1175478E-01 Delta_ec 0.4472080E-02 Delta_et -0.4396909E-01 Pxc 0.5363565E+01 Qxc -0.2628482E+01 3,-1 81 3 +1 1.736640 1.772376 1.805345 Rho 0.1251239E-01 |GRAD(Rho)| 0.4353464E-15 GRAD(Rho)x -0.2564905E-15 GRAD(Rho)y -0.7089655E-16 GRAD(Rho)z 0.3445473E-15 Laplacian 0.6315332E-01 (-1/4)Del**2(Rho)) -0.1578833E-01 Diamond 0.2660019E-02 Metallicity 0.7358413E+00 Ellipticity -0.1253108E+01 Gb(Abramov) 0.1246184E-01 Vb(Abramov) -0.9135345E-02 Hb(Abramov) 0.3326492E-02 Ex_ueg -0.2145386E-02 Ec_ueg -0.4832741E-03 Delta_ex -0.3133297E-02 Delta_ec 0.8099975E-03 Delta_et -0.6143244E-02 Pxc 0.4439274E+01 Qxc -0.3868280E+01 3,+1 82 3 +3 0.048739 2.326553 -0.033672 Rho 0.4698909E-02 |GRAD(Rho)| 0.6809077E-17 GRAD(Rho)x 0.3433675E-17 GRAD(Rho)y -0.5453263E-17 GRAD(Rho)z 0.2198938E-17 Laplacian 0.1989389E-01 (-1/4)Del**2(Rho)) -0.4973474E-02 Diamond 0.1878768E-03 Metallicity 0.4566201E+00 Ellipticity -0.3962082E+00 Gb(Abramov) 0.3694147E-02 Vb(Abramov) -0.2414820E-02 Hb(Abramov) 0.1279327E-02 Ex_ueg -0.5812742E-03 Ec_ueg -0.1339787E-03 Delta_ex -0.7363964E-03 Delta_ec 0.1961901E-03 Delta_et -0.1220835E-02 Pxc 0.4338557E+01 Qxc -0.3753484E+01 3,+3 83 3 +1 1.265944 2.105838 -1.110939 Rho 0.2562687E-01 |GRAD(Rho)| 0.2807178E-14 GRAD(Rho)x 0.1945041E-14 GRAD(Rho)y 0.1946541E-14 GRAD(Rho)z 0.5550145E-15 Laplacian 0.1026503E+00 (-1/4)Del**2(Rho)) -0.2566258E-01 Diamond 0.1475299E-01 Metallicity 0.1495359E+01 Ellipticity -0.5277237E+01 Gb(Abramov) 0.2350418E-01 Vb(Abramov) -0.2134579E-01 Hb(Abramov) 0.2158398E-02 Ex_ueg -0.5580150E-02 Ec_ueg -0.1120328E-02 Delta_ex -0.6517256E-02 Delta_ec 0.1903579E-02 Delta_et -0.1687051E-01 Pxc 0.4980819E+01 Qxc -0.3423686E+01 3,+1 84 3 +3 1.122915 -1.132657 -1.126933 Rho 0.4700175E-02 |GRAD(Rho)| 0.7945475E-16 GRAD(Rho)x 0.5283552E-16 GRAD(Rho)y -0.5737557E-16 GRAD(Rho)z -0.1514955E-16 Laplacian 0.1867158E-01 (-1/4)Del**2(Rho)) -0.4667895E-02 Diamond 0.1277765E-03 Metallicity 0.4867307E+00 Ellipticity -0.2726074E+00 Gb(Abramov) 0.3490598E-02 Vb(Abramov) -0.2313301E-02 Hb(Abramov) 0.1177297E-02 Ex_ueg -0.5814830E-03 Ec_ueg -0.1340330E-03 Delta_ex -0.6421699E-03 Delta_ec 0.9660019E-04 Delta_et -0.7148755E-03 Pxc 0.4338357E+01 Qxc -0.6647708E+01 3,+3 85 3 +3 1.087630 1.090281 1.143215 Rho 0.4791978E-02 |GRAD(Rho)| 0.8130054E-16 GRAD(Rho)x -0.7712454E-16 GRAD(Rho)y -0.2123754E-16 GRAD(Rho)z 0.1451036E-16 Laplacian 0.1956394E-01 (-1/4)Del**2(Rho)) -0.4890985E-02 Diamond 0.1402814E-03 Metallicity 0.4797500E+00 Ellipticity -0.2182869E+00 Gb(Abramov) 0.3651731E-02 Vb(Abramov) -0.2412478E-02 Hb(Abramov) 0.1239253E-02 Ex_ueg -0.5966755E-03 Ec_ueg -0.1379718E-03 Delta_ex -0.6791899E-03 Delta_ec 0.1061519E-03 Delta_et -0.7762534E-03 Pxc 0.4324619E+01 Qxc -0.6398283E+01 3,+3 86 3 -1 1.984270 2.971440 -0.833391 Rho 0.1413857E+00 |GRAD(Rho)| 0.6364691E-15 GRAD(Rho)x 0.1414477E-15 GRAD(Rho)y -0.4363643E-15 GRAD(Rho)z 0.4412161E-15 Laplacian 0.5591101E+00 (-1/4)Del**2(Rho)) -0.1397775E+00 Diamond 0.1061658E+01 Metallicity 0.4729242E+01 Ellipticity 0.2793370E-01 Gb(Abramov) 0.2033586E+00 Vb(Abramov) -0.2669398E+00 Hb(Abramov) -0.6358112E-01 Ex_ueg -0.5439917E-01 Ec_ueg -0.7894375E-02 Delta_ex -0.5924805E-01 Delta_ec 0.1451573E-01 Delta_et -0.1918502E+00 Pxc 0.6890878E+01 Qxc -0.4081645E+01 3,-1 87 3 -1 1.807074 2.770591 0.573875 Rho 0.1272554E+00 |GRAD(Rho)| 0.2166075E-14 GRAD(Rho)x 0.1619784E-14 GRAD(Rho)y -0.2784604E-15 GRAD(Rho)z -0.1410899E-14 Laplacian 0.5398783E+00 (-1/4)Del**2(Rho)) -0.1349696E+00 Diamond 0.9018364E+00 Metallicity 0.4109391E+01 Ellipticity 0.1430476E-01 Gb(Abramov) 0.1824202E+00 Vb(Abramov) -0.2298708E+00 Hb(Abramov) -0.4745060E-01 Ex_ueg -0.4727373E-01 Ec_ueg -0.7003851E-02 Delta_ex -0.5575414E-01 Delta_ec 0.1434221E-01 Delta_et -0.1863464E+00 Pxc 0.6749677E+01 Qxc -0.3887416E+01 3,-1 88 3 -1 0.870110 2.954165 -1.983251 Rho 0.1452303E+00 |GRAD(Rho)| 0.3495340E-15 GRAD(Rho)x -0.3270225E-16 GRAD(Rho)y -0.3004324E-15 GRAD(Rho)z 0.1756272E-15 Laplacian 0.5739291E+00 (-1/4)Del**2(Rho)) -0.1434823E+00 Diamond 0.1122988E+01 Metallicity 0.4817817E+01 Ellipticity 0.3295643E-01 Gb(Abramov) 0.2108667E+00 Vb(Abramov) -0.2782512E+00 Hb(Abramov) -0.6738446E-01 Ex_ueg -0.5638038E-01 Ec_ueg -0.8138887E-02 Delta_ex -0.6119164E-01 Delta_ec 0.1475669E-01 Delta_et -0.1957137E+00 Pxc 0.6927284E+01 Qxc -0.4146705E+01 3,-1 89 3 -1 0.812841 -2.930482 2.068063 Rho 0.1456574E+00 |GRAD(Rho)| 0.2093016E-15 GRAD(Rho)x -0.2027458E-15 GRAD(Rho)y 0.4363914E-16 GRAD(Rho)z -0.2822991E-16 Laplacian 0.5849105E+00 (-1/4)Del**2(Rho)) -0.1462276E+00 Diamond 0.1148912E+01 Metallicity 0.4750558E+01 Ellipticity 0.4551928E-01 Gb(Abramov) 0.2132622E+00 Vb(Abramov) -0.2802968E+00 Hb(Abramov) -0.6703460E-01 Ex_ueg -0.5660157E-01 Ec_ueg -0.8166107E-02 Delta_ex -0.6241133E-01 Delta_ec 0.1503546E-01 Delta_et -0.1995122E+00 Pxc 0.6931279E+01 Qxc -0.4150943E+01 3,-1 90 3 +1 0.535969 0.566005 1.706614 Rho 0.7674977E-02 |GRAD(Rho)| 0.1134396E-16 GRAD(Rho)x -0.5220066E-17 GRAD(Rho)y -0.5215097E-18 GRAD(Rho)z -0.1005805E-16 Laplacian 0.3124316E-01 (-1/4)Del**2(Rho)) -0.7810790E-02 Diamond 0.7550530E-03 Metallicity 0.6586479E+00 Ellipticity -0.1410979E+01 Gb(Abramov) 0.6064620E-02 Vb(Abramov) -0.4318450E-02 Hb(Abramov) 0.1746170E-02 Ex_ueg -0.1118118E-02 Ec_ueg -0.2637840E-03 Delta_ex -0.1407426E-02 Delta_ec 0.4761326E-03 Delta_et -0.3129551E-02 Pxc 0.4238765E+01 Qxc -0.2955953E+01 3,+1 91 3 +1 -2.004517 2.017747 1.996579 Rho 0.1306503E-01 |GRAD(Rho)| 0.5197694E-16 GRAD(Rho)x 0.1162814E-16 GRAD(Rho)y 0.2483724E-16 GRAD(Rho)z -0.4415314E-16 Laplacian 0.6320267E-01 (-1/4)Del**2(Rho)) -0.1580067E-01 Diamond 0.2401263E-02 Metallicity 0.7901846E+00 Ellipticity -0.1169643E+01 Gb(Abramov) 0.1261468E-01 Vb(Abramov) -0.9428703E-02 Hb(Abramov) 0.3185982E-02 Ex_ueg -0.2272649E-02 Ec_ueg -0.5089551E-03 Delta_ex -0.3062652E-02 Delta_ec 0.6155078E-03 Delta_et -0.4861803E-02 Pxc 0.4465323E+01 Qxc -0.4975814E+01 3,+1 92 3 +1 -1.726080 1.727141 -1.748801 Rho 0.1264453E-01 |GRAD(Rho)| 0.1268583E-14 GRAD(Rho)x 0.2124869E-16 GRAD(Rho)y 0.9286235E-15 GRAD(Rho)z 0.8640076E-15 Laplacian 0.6388476E-01 (-1/4)Del**2(Rho)) -0.1597119E-01 Diamond 0.2748130E-02 Metallicity 0.7402646E+00 Ellipticity -0.1268665E+01 Gb(Abramov) 0.1261794E-01 Vb(Abramov) -0.9264699E-02 Hb(Abramov) 0.3353245E-02 Ex_ueg -0.2175648E-02 Ec_ueg -0.4894039E-03 Delta_ex -0.3183340E-02 Delta_ec 0.8281458E-03 Delta_et -0.6290283E-02 Pxc 0.4445506E+01 Qxc -0.3843937E+01 3,+1 93 3 -1 -2.731632 1.778246 -0.572083 Rho 0.1730525E+00 |GRAD(Rho)| 0.2653823E-14 GRAD(Rho)x 0.1940464E-14 GRAD(Rho)y -0.1504412E-14 GRAD(Rho)z 0.1007034E-14 Laplacian 0.7307931E+00 (-1/4)Del**2(Rho)) -0.1826983E+00 Diamond 0.1739716E+01 Metallicity 0.5067362E+01 Ellipticity 0.1906849E-01 Gb(Abramov) 0.2760986E+00 Vb(Abramov) -0.3694989E+00 Hb(Abramov) -0.9340030E-01 Ex_ueg -0.7122333E-01 Ec_ueg -0.9935194E-02 Delta_ex -0.8116073E-01 Delta_ec 0.1760696E-01 Delta_et -0.2378793E+00 Pxc 0.7168792E+01 Qxc -0.4609581E+01 3,-1 94 3 +1 -2.104857 1.034328 1.328736 Rho 0.2574988E-01 |GRAD(Rho)| 0.5121012E-16 GRAD(Rho)x -0.4587532E-16 GRAD(Rho)y -0.4337868E-17 GRAD(Rho)z 0.2234087E-16 Laplacian 0.1007275E+00 (-1/4)Del**2(Rho)) -0.2518188E-01 Diamond 0.1294206E-01 Metallicity 0.1536115E+01 Ellipticity -0.2952872E+01 Gb(Abramov) 0.2323496E-01 Vb(Abramov) -0.2128805E-01 Hb(Abramov) 0.1946914E-02 Ex_ueg -0.5615892E-02 Ec_ueg -0.1126543E-02 Delta_ex -0.6233057E-02 Delta_ec 0.1564037E-02 Delta_et -0.1393658E-01 Pxc 0.4985065E+01 Qxc -0.3985236E+01 3,+1 95 3 +1 -0.502621 1.668010 -0.573091 Rho 0.9408703E-02 |GRAD(Rho)| 0.2267789E-14 GRAD(Rho)x 0.6129992E-15 GRAD(Rho)y -0.1676491E-14 GRAD(Rho)z 0.1398742E-14 Laplacian 0.4028963E-01 (-1/4)Del**2(Rho)) -0.1007241E-01 Diamond 0.1288309E-02 Metallicity 0.7171931E+00 Ellipticity -0.1439167E+01 Gb(Abramov) 0.7918916E-02 Vb(Abramov) -0.5765424E-02 Hb(Abramov) 0.2153492E-02 Ex_ueg -0.1466982E-02 Ec_ueg -0.3413074E-03 Delta_ex -0.1910903E-02 Delta_ec 0.6165502E-03 Delta_et -0.4273187E-02 Pxc 0.4298125E+01 Qxc -0.3099347E+01 3,+1 96 3 +3 -1.089132 1.087962 -1.135899 Rho 0.5292094E-02 |GRAD(Rho)| 0.4110421E-15 GRAD(Rho)x 0.2481721E-15 GRAD(Rho)y -0.2111526E-15 GRAD(Rho)z 0.2505609E-15 Laplacian 0.2242029E-01 (-1/4)Del**2(Rho)) -0.5605072E-02 Diamond 0.1809312E-03 Metallicity 0.4939518E+00 Ellipticity -0.2120384E+00 Gb(Abramov) 0.4198154E-02 Vb(Abramov) -0.2791236E-02 Hb(Abramov) 0.1406918E-02 Ex_ueg -0.6811171E-03 Ec_ueg -0.1595044E-03 Delta_ex -0.7970006E-03 Delta_ec 0.1167337E-03 Delta_et -0.8815081E-03 Pxc 0.4270210E+01 Qxc -0.6827512E+01 3,+3 97 3 -1 -2.938362 1.969782 0.816351 Rho 0.1481416E+00 |GRAD(Rho)| 0.1239099E-14 GRAD(Rho)x 0.3308172E-15 GRAD(Rho)y 0.6184018E-15 GRAD(Rho)z -0.1021522E-14 Laplacian 0.5866709E+00 (-1/4)Del**2(Rho)) -0.1466677E+00 Diamond 0.1166212E+01 Metallicity 0.4871695E+01 Ellipticity 0.2362116E-01 Gb(Abramov) 0.2168652E+00 Vb(Abramov) -0.2870627E+00 Hb(Abramov) -0.7019750E-01 Ex_ueg -0.5789231E-01 Ec_ueg -0.8324653E-02 Delta_ex -0.6275959E-01 Delta_ec 0.1484073E-01 Delta_et -0.1970094E+00 Pxc 0.6954322E+01 Qxc -0.4228874E+01 3,-1 98 3 +1 -1.666894 0.507654 -0.572601 Rho 0.9342240E-02 |GRAD(Rho)| 0.1003551E-16 GRAD(Rho)x 0.9305330E-17 GRAD(Rho)y -0.2636039E-17 GRAD(Rho)z 0.2678350E-17 Laplacian 0.4020889E-01 (-1/4)Del**2(Rho)) -0.1005222E-01 Diamond 0.1283736E-02 Metallicity 0.7101925E+00 Ellipticity -0.1439331E+01 Gb(Abramov) 0.7891317E-02 Vb(Abramov) -0.5730412E-02 Hb(Abramov) 0.2160905E-02 Ex_ueg -0.1453181E-02 Ec_ueg -0.3383111E-03 Delta_ex -0.1907863E-02 Delta_ec 0.6227863E-03 Delta_et -0.4302991E-02 Pxc 0.4295399E+01 Qxc -0.3063431E+01 3,+1 99 3 -1 -1.668254 1.682169 0.458296 Rho 0.4802105E-01 |GRAD(Rho)| 0.2004382E-15 GRAD(Rho)x -0.1076215E-15 GRAD(Rho)y 0.1603294E-15 GRAD(Rho)z -0.5373641E-16 Laplacian 0.1913393E+00 (-1/4)Del**2(Rho)) -0.4783484E-01 Diamond 0.8876998E-01 Metallicity 0.2284871E+01 Ellipticity 0.9367332E-02 Gb(Abramov) 0.5010596E-01 Vb(Abramov) -0.5237709E-01 Hb(Abramov) -0.2271125E-02 Ex_ueg -0.1289122E-01 Ec_ueg -0.2305780E-02 Delta_ex -0.1545208E-01 Delta_ec 0.5455693E-02 Delta_et -0.5686191E-01 Pxc 0.5590826E+01 Qxc -0.2832285E+01 3,-1 100 3 +1 -1.011254 2.113702 1.337599 Rho 0.2570592E-01 |GRAD(Rho)| 0.4170261E-16 GRAD(Rho)x 0.2380542E-16 GRAD(Rho)y -0.2728067E-16 GRAD(Rho)z -0.2069239E-16 Laplacian 0.1007229E+00 (-1/4)Del**2(Rho)) -0.2518072E-01 Diamond 0.1262642E-01 Metallicity 0.1531818E+01 Ellipticity -0.2718859E+01 Gb(Abramov) 0.2321586E-01 Vb(Abramov) -0.2125099E-01 Hb(Abramov) 0.1964861E-02 Ex_ueg -0.5603112E-02 Ec_ueg -0.1124322E-02 Delta_ex -0.6200103E-02 Delta_ec 0.1510795E-02 Delta_et -0.1346906E-01 Pxc 0.4983549E+01 Qxc -0.4103867E+01 3,+1 101 3 +3 -1.819610 1.832104 1.825393 Rho 0.1265682E-01 |GRAD(Rho)| 0.2132591E-12 GRAD(Rho)x 0.8796055E-13 GRAD(Rho)y -0.1061254E-12 GRAD(Rho)z 0.1627261E-12 Laplacian 0.5906222E-01 (-1/4)Del**2(Rho)) -0.1476555E-01 Diamond 0.1352454E-02 Metallicity 0.8020065E+00 Ellipticity -0.6297395E+00 Gb(Abramov) 0.1181738E-01 Vb(Abramov) -0.8869208E-02 Hb(Abramov) 0.2948173E-02 Ex_ueg -0.2178468E-02 Ec_ueg -0.4899745E-03 Delta_ex -0.2623062E-02 Delta_ec 0.1929930E-03 Delta_et -0.1893978E-02 Pxc 0.4446086E+01 Qxc -0.1359149E+02 3,+3 102 3 -1 -1.762941 2.740924 -0.580922 Rho 0.1685600E+00 |GRAD(Rho)| 0.3824789E-11 GRAD(Rho)x 0.2773807E-11 GRAD(Rho)y 0.9150018E-12 GRAD(Rho)z -0.2469367E-11 Laplacian 0.7060340E+00 (-1/4)Del**2(Rho)) -0.1765085E+00 Diamond 0.1628658E+01 Metallicity 0.5020095E+01 Ellipticity 0.1797803E-01 Gb(Abramov) 0.2653539E+00 Vb(Abramov) -0.3541993E+00 Hb(Abramov) -0.8884541E-01 Ex_ueg -0.6876877E-01 Ec_ueg -0.9642026E-02 Delta_ex -0.7789686E-01 Delta_ec 0.1712969E-01 Delta_et -0.2307627E+00 Pxc 0.7132191E+01 Qxc -0.4547477E+01 3,-1 103 3 -1 -1.957840 2.947931 0.809183 Rho 0.1551687E+00 |GRAD(Rho)| 0.1406387E-11 GRAD(Rho)x 0.6928574E-12 GRAD(Rho)y 0.6701634E-12 GRAD(Rho)z 0.1024087E-11 Laplacian 0.6194276E+00 (-1/4)Del**2(Rho)) -0.1548569E+00 Diamond 0.1298448E+01 Metallicity 0.4984588E+01 Ellipticity 0.2137548E-01 Gb(Abramov) 0.2318876E+00 Vb(Abramov) -0.3089183E+00 Hb(Abramov) -0.7703068E-01 Ex_ueg -0.6158246E-01 Ec_ueg -0.8775199E-02 Delta_ex -0.6699299E-01 Delta_ec 0.1543179E-01 Delta_et -0.2060089E+00 Pxc 0.7017785E+01 Qxc -0.4341232E+01 3,-1 104 3 -1 -0.846717 -2.039165 -3.013967 Rho 0.1129356E+00 |GRAD(Rho)| 0.1888721E-15 GRAD(Rho)x -0.8347001E-16 GRAD(Rho)y 0.3661893E-16 GRAD(Rho)z -0.1654221E-15 Laplacian 0.4703600E+00 (-1/4)Del**2(Rho)) -0.1175900E+00 Diamond 0.7043491E+00 Metallicity 0.3865754E+01 Ellipticity 0.1277011E-01 Gb(Abramov) 0.1541557E+00 Vb(Abramov) -0.1907213E+00 Hb(Abramov) -0.3656567E-01 Ex_ueg -0.4031743E-01 Ec_ueg -0.6115096E-02 Delta_ex -0.4755827E-01 Delta_ec 0.1346319E-01 Delta_et -0.1722142E+00 Pxc 0.6593099E+01 Qxc -0.3532467E+01 3,-1 105 3 +1 -0.982799 -1.422003 -2.130319 Rho 0.2235026E-01 |GRAD(Rho)| 0.4324045E-16 GRAD(Rho)x 0.2138543E-16 GRAD(Rho)y -0.1445979E-16 GRAD(Rho)z 0.3468882E-16 Laplacian 0.8451771E-01 (-1/4)Del**2(Rho)) -0.2112943E-01 Diamond 0.8296591E-02 Metallicity 0.1445893E+01 Ellipticity -0.2271345E+01 Gb(Abramov) 0.1917810E-01 Vb(Abramov) -0.1722678E-01 Hb(Abramov) 0.1951326E-02 Ex_ueg -0.4649737E-02 Ec_ueg -0.9562519E-03 Delta_ex -0.4953570E-02 Delta_ec 0.1168942E-02 Delta_et -0.1011845E-01 Pxc 0.4862461E+01 Qxc -0.4237653E+01 3,+1 106 3 -1 -1.685830 -1.700123 -0.488169 Rho 0.3799380E-01 |GRAD(Rho)| 0.4624214E-16 GRAD(Rho)x 0.2735916E-17 GRAD(Rho)y -0.4608960E-16 GRAD(Rho)z 0.2568733E-17 Laplacian 0.1509966E+00 (-1/4)Del**2(Rho)) -0.3774915E-01 Diamond 0.5171351E-01 Metallicity 0.1959600E+01 Ellipticity 0.2086719E-01 Gb(Abramov) 0.3749497E-01 Vb(Abramov) -0.3724079E-01 Hb(Abramov) 0.2541806E-03 Ex_ueg -0.9433411E-02 Ec_ueg -0.1762846E-02 Delta_ex -0.1154560E-01 Delta_ec 0.4398667E-02 Delta_et -0.4310213E-01 Pxc 0.5351238E+01 Qxc -0.2624795E+01 3,-1 107 3 +1 1.146905 -1.145214 2.140179 Rho 0.2354869E-01 |GRAD(Rho)| 0.1863791E-14 GRAD(Rho)x 0.1755274E-14 GRAD(Rho)y -0.2563436E-15 GRAD(Rho)z -0.5718528E-15 Laplacian 0.9350247E-01 (-1/4)Del**2(Rho)) -0.2337562E-01 Diamond 0.1250360E-01 Metallicity 0.1425831E+01 Ellipticity -0.6714711E+01 Gb(Abramov) 0.2113869E-01 Vb(Abramov) -0.1890176E-01 Hb(Abramov) 0.2236926E-02 Ex_ueg -0.4985102E-02 Ec_ueg -0.1015924E-02 Delta_ex -0.5869312E-02 Delta_ec 0.1847229E-02 Delta_et -0.1599687E-01 Pxc 0.4906963E+01 Qxc -0.3177360E+01 3,+1 108 3 +1 0.061755 -0.041875 -2.893283 Rho 0.4476229E-02 |GRAD(Rho)| 0.9097345E-17 GRAD(Rho)x -0.6078781E-17 GRAD(Rho)y 0.6757141E-17 GRAD(Rho)z 0.3887661E-18 Laplacian 0.1750567E-01 (-1/4)Del**2(Rho)) -0.4376419E-02 Diamond 0.3715222E-03 Metallicity 0.4785803E+00 Ellipticity -0.7146697E+01 Gb(Abramov) 0.3266690E-02 Vb(Abramov) -0.2156962E-02 Hb(Abramov) 0.1109728E-02 Ex_ueg -0.5448389E-03 Ec_ueg -0.1244429E-03 Delta_ex -0.8733303E-03 Delta_ec 0.5890843E-03 Delta_et -0.3079073E-02 Pxc 0.4378224E+01 Qxc -0.1482522E+01 3,+1 109 3 +1 -0.555402 -0.520164 1.705459 Rho 0.7786170E-02 |GRAD(Rho)| 0.1824589E-13 GRAD(Rho)x 0.9787017E-14 GRAD(Rho)y 0.6359438E-14 GRAD(Rho)z -0.1402442E-13 Laplacian 0.3182960E-01 (-1/4)Del**2(Rho)) -0.7957399E-02 Diamond 0.7865004E-03 Metallicity 0.6621990E+00 Ellipticity -0.1414901E+01 Gb(Abramov) 0.6183163E-02 Vb(Abramov) -0.4408927E-02 Hb(Abramov) 0.1774236E-02 Ex_ueg -0.1139769E-02 Ec_ueg -0.2687156E-03 Delta_ex -0.1440020E-02 Delta_ec 0.4869855E-03 Delta_et -0.3211582E-02 Pxc 0.4241545E+01 Qxc -0.2957008E+01 3,+1 110 3 +3 0.057327 -0.058060 -2.413140 Rho 0.4138400E-02 |GRAD(Rho)| 0.2411222E-15 GRAD(Rho)x 0.9315674E-17 GRAD(Rho)y 0.2421066E-16 GRAD(Rho)z 0.2397227E-15 Laplacian 0.1654832E-01 (-1/4)Del**2(Rho)) -0.4137080E-02 Diamond 0.1430589E-03 Metallicity 0.4442015E+00 Ellipticity -0.2031700E+00 Gb(Abramov) 0.3064336E-02 Vb(Abramov) -0.1991592E-02 Hb(Abramov) 0.1072744E-02 Ex_ueg -0.4907138E-03 Ec_ueg -0.1100252E-03 Delta_ex -0.6069907E-03 Delta_ec 0.1877344E-03 Delta_et -0.1100155E-02 Pxc 0.4460015E+01 Qxc -0.3233243E+01 3,+3 111 3 +1 0.585243 -0.588108 -1.708179 Rho 0.7872963E-02 |GRAD(Rho)| 0.6090080E-17 GRAD(Rho)x -0.1849118E-17 GRAD(Rho)y -0.1517116E-17 GRAD(Rho)z -0.5600732E-17 Laplacian 0.3112857E-01 (-1/4)Del**2(Rho)) -0.7782144E-02 Diamond 0.7845312E-03 Metallicity 0.6897382E+00 Ellipticity -0.1462179E+01 Gb(Abramov) 0.6082703E-02 Vb(Abramov) -0.4383262E-02 Hb(Abramov) 0.1699441E-02 Ex_ueg -0.1156741E-02 Ec_ueg -0.2725688E-03 Delta_ex -0.1414030E-02 Delta_ec 0.4795837E-03 Delta_et -0.3169491E-02 Pxc 0.4243848E+01 Qxc -0.2948453E+01 3,+1 112 3 +1 -0.029511 0.048776 2.985628 Rho 0.4942212E-02 |GRAD(Rho)| 0.5577775E-17 GRAD(Rho)x -0.7395850E-18 GRAD(Rho)y -0.5360301E-17 GRAD(Rho)z 0.1353426E-17 Laplacian 0.2017776E-01 (-1/4)Del**2(Rho)) -0.5044439E-02 Diamond 0.5142280E-03 Metallicity 0.4897140E+00 Ellipticity -0.9903877E+01 Gb(Abramov) 0.3774682E-02 Vb(Abramov) -0.2504924E-02 Hb(Abramov) 0.1269758E-02 Ex_ueg -0.6217467E-03 Ec_ueg -0.1444268E-03 Delta_ex -0.1049047E-02 Delta_ec 0.7212156E-03 Delta_et -0.3868408E-02 Pxc 0.4304927E+01 Qxc -0.1454554E+01 3,+1 113 3 -1 -0.364482 -0.362334 -0.384753 Rho 0.2049510E+00 |GRAD(Rho)| 0.5375323E-11 GRAD(Rho)x 0.3295252E-11 GRAD(Rho)y 0.3049366E-11 GRAD(Rho)z 0.2955804E-11 Laplacian 0.7514603E+00 (-1/4)Del**2(Rho)) -0.1878651E+00 Diamond 0.2454038E+01 Metallicity 0.6533168E+01 Ellipticity 0.6428228E-02 Gb(Abramov) 0.3298024E+00 Vb(Abramov) -0.4717397E+00 Hb(Abramov) -0.1419373E+00 Ex_ueg -0.8924524E-01 Ec_ueg -0.1205002E-01 Delta_ex -0.8883902E-01 Delta_ec 0.2037074E-01 Delta_et -0.2905678E+00 Pxc 0.7406231E+01 Qxc -0.4361109E+01 3,-1 114 3 -1 0.366444 0.366553 -0.386975 Rho 0.2051867E+00 |GRAD(Rho)| 0.1899641E-15 GRAD(Rho)x 0.3454882E-16 GRAD(Rho)y 0.1747483E-15 GRAD(Rho)z 0.6599819E-16 Laplacian 0.7541067E+00 (-1/4)Del**2(Rho)) -0.1885267E+00 Diamond 0.2465569E+01 Metallicity 0.6522724E+01 Ellipticity 0.6345731E-02 Gb(Abramov) 0.3306357E+00 Vb(Abramov) -0.4727447E+00 Hb(Abramov) -0.1421090E+00 Ex_ueg -0.8938212E-01 Ec_ueg -0.1206586E-01 Delta_ex -0.8917402E-01 Delta_ec 0.2043043E-01 Delta_et -0.2914422E+00 Pxc 0.7407852E+01 Qxc -0.4364766E+01 3,-1 115 3 +1 1.682975 0.565074 0.549320 Rho 0.8319923E-02 |GRAD(Rho)| 0.5939402E-17 GRAD(Rho)x -0.7020102E-18 GRAD(Rho)y -0.5879782E-17 GRAD(Rho)z 0.4602666E-18 Laplacian 0.3441695E-01 (-1/4)Del**2(Rho)) -0.8604237E-02 Diamond 0.9433401E-03 Metallicity 0.6839740E+00 Ellipticity -0.1443343E+01 Gb(Abramov) 0.6717004E-02 Vb(Abramov) -0.4829771E-02 Hb(Abramov) 0.1887233E-02 Ex_ueg -0.1245119E-02 Ec_ueg -0.2924662E-03 Delta_ex -0.1588830E-02 Delta_ec 0.5372097E-03 Delta_et -0.3597232E-02 Pxc 0.4257309E+01 Qxc -0.2957560E+01 3,+1 116 3 +1 -1.209919 1.188086 2.090894 Rho 0.2434505E-01 |GRAD(Rho)| 0.1753995E-14 GRAD(Rho)x -0.9684314E-15 GRAD(Rho)y 0.1376330E-14 GRAD(Rho)z -0.4943238E-15 Laplacian 0.9769468E-01 (-1/4)Del**2(Rho)) -0.2442367E-01 Diamond 0.1377449E-01 Metallicity 0.1442426E+01 Ellipticity -0.7736391E+01 Gb(Abramov) 0.2215400E-01 Vb(Abramov) -0.1988433E-01 Hb(Abramov) 0.2269669E-02 Ex_ueg -0.5211139E-02 Ec_ueg -0.1055795E-02 Delta_ex -0.6196967E-02 Delta_ec 0.1950220E-02 Delta_et -0.1703008E-01 Pxc 0.4935747E+01 Qxc -0.3177573E+01 3,+1 117 3 +1 -0.525619 0.526902 -1.681906 Rho 0.9273038E-02 |GRAD(Rho)| 0.1923084E-16 GRAD(Rho)x -0.1384114E-16 GRAD(Rho)y 0.7496677E-17 GRAD(Rho)z 0.1104752E-16 Laplacian 0.3907260E-01 (-1/4)Del**2(Rho)) -0.9768149E-02 Diamond 0.1232507E-02 Metallicity 0.7218455E+00 Ellipticity -0.1459050E+01 Gb(Abramov) 0.7687282E-02 Vb(Abramov) -0.5606414E-02 Hb(Abramov) 0.2080867E-02 Ex_ueg -0.1438846E-02 Ec_ueg -0.3351933E-03 Delta_ex -0.1849525E-02 Delta_ec 0.6034562E-03 Delta_et -0.4162563E-02 Pxc 0.4292586E+01 Qxc -0.3064888E+01 3,+1 118 3 -1 0.896671 1.971385 -3.023615 Rho 0.1686181E+00 |GRAD(Rho)| 0.7606406E-12 GRAD(Rho)x -0.5529878E-12 GRAD(Rho)y 0.4357586E-12 GRAD(Rho)z 0.2879117E-12 Laplacian 0.6666205E+00 (-1/4)Del**2(Rho)) -0.1666551E+00 Diamond 0.1549512E+01 Metallicity 0.5319958E+01 Ellipticity 0.3692993E-01 Gb(Abramov) 0.2588698E+00 Vb(Abramov) -0.3510844E+00 Hb(Abramov) -0.9221466E-01 Ex_ueg -0.6880035E-01 Ec_ueg -0.9645807E-02 Delta_ex -0.7364960E-01 Delta_ec 0.1634144E-01 Delta_et -0.2206214E+00 Pxc 0.7132669E+01 Qxc -0.4506923E+01 3,-1 119 3 -1 1.722096 0.458858 -1.712164 Rho 0.3329054E-01 |GRAD(Rho)| 0.4595170E-17 GRAD(Rho)x 0.1850979E-17 GRAD(Rho)y -0.2715799E-17 GRAD(Rho)z 0.3211525E-17 Laplacian 0.1385127E+00 (-1/4)Del**2(Rho)) -0.3462818E-01 Diamond 0.4311850E-01 Metallicity 0.1713924E+01 Ellipticity 0.1667508E-01 Gb(Abramov) 0.3297713E-01 Vb(Abramov) -0.3132608E-01 Hb(Abramov) 0.1651049E-02 Ex_ueg -0.7909447E-02 Ec_ueg -0.1514553E-02 Delta_ex -0.1050961E-01 Delta_ec 0.4499459E-02 Delta_et -0.4253504E-01 Pxc 0.5222299E+01 Qxc -0.2335750E+01 3,-1 120 3 -1 1.791384 0.619582 2.850637 Rho 0.1410769E+00 |GRAD(Rho)| 0.7129285E-15 GRAD(Rho)x -0.5563990E-15 GRAD(Rho)y 0.4386004E-15 GRAD(Rho)z 0.7947880E-16 Laplacian 0.5947865E+00 (-1/4)Del**2(Rho)) -0.1486966E+00 Diamond 0.1123640E+01 Metallicity 0.4429404E+01 Ellipticity 0.7368235E-02 Gb(Abramov) 0.2089040E+00 Vb(Abramov) -0.2691114E+00 Hb(Abramov) -0.6020737E-01 Ex_ueg -0.5424083E-01 Ec_ueg -0.7874778E-02 Delta_ex -0.6296484E-01 Delta_ec 0.1539615E-01 Delta_et -0.2033063E+00 Pxc 0.6887919E+01 Qxc -0.4089648E+01 3,-1 121 3 -1 2.031791 0.829714 -3.019750 Rho 0.1131878E+00 |GRAD(Rho)| 0.5028091E-13 GRAD(Rho)x 0.2930604E-13 GRAD(Rho)y -0.3710525E-13 GRAD(Rho)z 0.1710341E-13 Laplacian 0.4705723E+00 (-1/4)Del**2(Rho)) -0.1176431E+00 Diamond 0.7065946E+00 Metallicity 0.3878401E+01 Ellipticity 0.1292584E-01 Gb(Abramov) 0.1544732E+00 Vb(Abramov) -0.1913034E+00 Hb(Abramov) -0.3683015E-01 Ex_ueg -0.4043751E-01 Ec_ueg -0.6130623E-02 Delta_ex -0.4760502E-01 Delta_ec 0.1346340E-01 Delta_et -0.1722918E+00 Pxc 0.6595988E+01 Qxc -0.3535884E+01 3,-1 122 3 +3 2.382820 0.043284 -0.007842 Rho 0.4142136E-02 |GRAD(Rho)| 0.6502585E-17 GRAD(Rho)x -0.3569837E-17 GRAD(Rho)y -0.9172440E-18 GRAD(Rho)z -0.5357102E-17 Laplacian 0.1720978E-01 (-1/4)Del**2(Rho)) -0.4302444E-02 Diamond 0.1421601E-03 Metallicity 0.4277716E+00 Ellipticity -0.3504133E+00 Gb(Abramov) 0.3175040E-02 Vb(Abramov) -0.2047636E-02 Hb(Abramov) 0.1127404E-02 Ex_ueg -0.4913047E-03 Ec_ueg -0.1101843E-03 Delta_ex -0.6232785E-03 Delta_ec 0.1807513E-03 Delta_et -0.1076003E-02 Pxc 0.4458935E+01 Qxc -0.3448265E+01 3,+3 123 3 +1 2.137437 0.956346 -1.394350 Rho 0.2276907E-01 |GRAD(Rho)| 0.2216695E-16 GRAD(Rho)x 0.1276062E-16 GRAD(Rho)y -0.1083100E-16 GRAD(Rho)z -0.1453375E-16 Laplacian 0.8626935E-01 (-1/4)Del**2(Rho)) -0.2156734E-01 Diamond 0.8814084E-02 Metallicity 0.1461051E+01 Ellipticity -0.2361917E+01 Gb(Abramov) 0.1963005E-01 Vb(Abramov) -0.1769277E-01 Hb(Abramov) 0.1937282E-02 Ex_ueg -0.4766271E-02 Ec_ueg -0.9770596E-03 Delta_ex -0.5097391E-02 Delta_ec 0.1220747E-02 Delta_et -0.1060211E-01 Pxc 0.4878178E+01 Qxc -0.4175632E+01 3,+1 124 3 +1 1.006941 -2.068168 1.383040 Rho 0.2560572E-01 |GRAD(Rho)| 0.1339672E-14 GRAD(Rho)x 0.1161724E-14 GRAD(Rho)y 0.3822550E-15 GRAD(Rho)z -0.5468085E-15 Laplacian 0.1015231E+00 (-1/4)Del**2(Rho)) -0.2538077E-01 Diamond 0.1366130E-01 Metallicity 0.1509883E+01 Ellipticity -0.3529519E+01 Gb(Abramov) 0.2330751E-01 Vb(Abramov) -0.2123425E-01 Hb(Abramov) 0.2073258E-02 Ex_ueg -0.5574008E-02 Ec_ueg -0.1119259E-02 Delta_ex -0.6348226E-02 Delta_ec 0.1711176E-02 Delta_et -0.1519590E-01 Pxc 0.4980087E+01 Qxc -0.3709862E+01 3,+1 125 3 -1 3.206301 -3.221863 0.040330 Rho 0.1740485E+00 |GRAD(Rho)| 0.6679181E-15 GRAD(Rho)x -0.3974956E-15 GRAD(Rho)y 0.5361380E-15 GRAD(Rho)z 0.2584467E-16 Laplacian 0.6608379E+00 (-1/4)Del**2(Rho)) -0.1652095E+00 Diamond 0.1635944E+01 Metallicity 0.5657642E+01 Ellipticity 0.1134306E+00 Gb(Abramov) 0.2659223E+00 Vb(Abramov) -0.3666352E+00 Hb(Abramov) -0.1007128E+00 Ex_ueg -0.7177042E-01 Ec_ueg -0.1000035E-01 Delta_ex -0.7392137E-01 Delta_ec 0.1665439E-01 Delta_et -0.2273384E+00 Pxc 0.7176792E+01 Qxc -0.4438553E+01 3,-1 126 3 +3 -2.331505 -0.043557 -0.026143 Rho 0.4619389E-02 |GRAD(Rho)| 0.3131525E-17 GRAD(Rho)x 0.1850144E-17 GRAD(Rho)y 0.2136546E-17 GRAD(Rho)z 0.1348549E-17 Laplacian 0.1959083E-01 (-1/4)Del**2(Rho)) -0.4897708E-02 Diamond 0.1824793E-03 Metallicity 0.4506796E+00 Ellipticity -0.3972888E+00 Gb(Abramov) 0.3633021E-02 Vb(Abramov) -0.2368335E-02 Hb(Abramov) 0.1264686E-02 Ex_ueg -0.5681955E-03 Ec_ueg -0.1305705E-03 Delta_ex -0.7238023E-03 Delta_ec 0.1963334E-03 Delta_et -0.1212568E-02 Pxc 0.4351637E+01 Qxc -0.3686598E+01 3,+3 127 3 -1 -3.240265 -0.023375 3.198644 Rho 0.2528774E+00 |GRAD(Rho)| 0.6168054E-14 GRAD(Rho)x 0.4165071E-14 GRAD(Rho)y 0.1032919E-14 GRAD(Rho)z -0.4430592E-14 Laplacian 0.9051612E+00 (-1/4)Del**2(Rho)) -0.2262903E+00 Diamond 0.3411630E+01 Metallicity 0.7698459E+01 Ellipticity 0.3211274E-02 Gb(Abramov) 0.4412080E+00 Vb(Abramov) -0.6561256E+00 Hb(Abramov) -0.2149177E+00 Ex_ueg -0.1181041E+00 Ec_ueg -0.1533383E-01 Delta_ex -0.1108815E+00 Delta_ec 0.1970585E-01 Delta_et -0.2734450E+00 Pxc 0.7702194E+01 Qxc -0.5626834E+01 3,-1 128 3 -1 -3.176866 0.028590 -3.194323 Rho 0.2525500E+00 |GRAD(Rho)| 0.5547137E-12 GRAD(Rho)x 0.4030432E-12 GRAD(Rho)y -0.1311627E-12 GRAD(Rho)z 0.3578545E-12 Laplacian 0.9157137E+00 (-1/4)Del**2(Rho)) -0.2289284E+00 Diamond 0.3433395E+01 Metallicity 0.7593330E+01 Ellipticity 0.1814856E-02 Gb(Abramov) 0.4423405E+00 Vb(Abramov) -0.6557525E+00 Hb(Abramov) -0.2134120E+00 Ex_ueg -0.1179003E+00 Ec_ueg -0.1531097E-01 Delta_ex -0.1120732E+00 Delta_ec 0.1983131E-01 Delta_et -0.2746512E+00 Pxc 0.7700381E+01 Qxc -0.5651329E+01 3,-1 129 3 +1 -2.107107 -1.275871 -1.080383 Rho 0.2567078E-01 |GRAD(Rho)| 0.1216699E-16 GRAD(Rho)x -0.1840199E-17 GRAD(Rho)y -0.7372686E-17 GRAD(Rho)z 0.9502256E-17 Laplacian 0.1026359E+00 (-1/4)Del**2(Rho)) -0.2565898E-01 Diamond 0.1465401E-01 Metallicity 0.1499843E+01 Ellipticity -0.4965702E+01 Gb(Abramov) 0.2352006E-01 Vb(Abramov) -0.2138113E-01 Hb(Abramov) 0.2138921E-02 Ex_ueg -0.5592902E-02 Ec_ueg -0.1122546E-02 Delta_ex -0.6505482E-02 Delta_ec 0.1878669E-02 Delta_et -0.1666170E-01 Pxc 0.4982336E+01 Qxc -0.3462814E+01 3,+1 130 3 -1 -1.981849 -0.902576 -3.018321 Rho 0.1697838E+00 |GRAD(Rho)| 0.2916593E-15 GRAD(Rho)x 0.1259572E-15 GRAD(Rho)y -0.8080017E-16 GRAD(Rho)z -0.2503423E-15 Laplacian 0.6693872E+00 (-1/4)Del**2(Rho)) -0.1673468E+00 Diamond 0.1569382E+01 Metallicity 0.5359155E+01 Ellipticity 0.3701443E-01 Gb(Abramov) 0.2610374E+00 Vb(Abramov) -0.3547281E+00 Hb(Abramov) -0.9369064E-01 Ex_ueg -0.6943528E-01 Ec_ueg -0.9721771E-02 Delta_ex -0.7408705E-01 Delta_ec 0.1638778E-01 Delta_et -0.2214451E+00 Pxc 0.7142246E+01 Qxc -0.4520872E+01 3,-1 131 3 -1 -1.838700 -0.544934 2.822847 Rho 0.1448619E+00 |GRAD(Rho)| 0.5163730E-12 GRAD(Rho)x -0.3826132E-12 GRAD(Rho)y 0.3335885E-12 GRAD(Rho)z -0.9469336E-13 Laplacian 0.6098599E+00 (-1/4)Del**2(Rho)) -0.1524650E+00 Diamond 0.1189785E+01 Metallicity 0.4514818E+01 Ellipticity 0.9339472E-02 Gb(Abramov) 0.2163686E+00 Vb(Abramov) -0.2802722E+00 Hb(Abramov) -0.6390362E-01 Ex_ueg -0.5618980E-01 Ec_ueg -0.8115420E-02 Delta_ex -0.6498350E-01 Delta_ec 0.1569266E-01 Delta_et -0.2080552E+00 Pxc 0.6923831E+01 Qxc -0.4141013E+01 3,-1 132 3 -1 -1.664130 -0.525791 -1.705913 Rho 0.4287273E-01 |GRAD(Rho)| 0.4591736E-16 GRAD(Rho)x -0.3852031E-16 GRAD(Rho)y -0.1429612E-16 GRAD(Rho)z -0.2049904E-16 Laplacian 0.1723622E+00 (-1/4)Del**2(Rho)) -0.4309054E-01 Diamond 0.7044321E-01 Metallicity 0.2099616E+01 Ellipticity 0.1393643E-01 Gb(Abramov) 0.4380596E-01 Vb(Abramov) -0.4452138E-01 Hb(Abramov) -0.7154164E-03 Ex_ueg -0.1108222E-01 Ec_ueg -0.2024868E-02 Delta_ex -0.1362799E-01 Delta_ec 0.5099161E-02 Delta_et -0.5162206E-01 Pxc 0.5473056E+01 Qxc -0.2672594E+01 3,-1 133 3 -1 -0.493423 1.711263 1.678376 Rho 0.3678245E-01 |GRAD(Rho)| 0.1815466E-15 GRAD(Rho)x -0.5291420E-16 GRAD(Rho)y -0.1196798E-15 GRAD(Rho)z -0.1258411E-15 Laplacian 0.1442748E+00 (-1/4)Del**2(Rho)) -0.3606870E-01 Diamond 0.4728815E-01 Metallicity 0.1943079E+01 Ellipticity 0.2848290E-01 Gb(Abramov) 0.3572652E-01 Vb(Abramov) -0.3538435E-01 Hb(Abramov) 0.3421747E-03 Ex_ueg -0.9034539E-02 Ec_ueg -0.1698476E-02 Delta_ex -0.1094391E-01 Delta_ec 0.4204539E-02 Delta_et -0.4084064E-01 Pxc 0.5319205E+01 Qxc -0.2602880E+01 3,-1 134 3 -1 -0.848406 2.008284 2.968410 Rho 0.1432403E+00 |GRAD(Rho)| 0.4213583E-12 GRAD(Rho)x 0.3091877E-12 GRAD(Rho)y 0.2553233E-12 GRAD(Rho)z -0.1294441E-12 Laplacian 0.5729366E+00 (-1/4)Del**2(Rho)) -0.1432342E+00 Diamond 0.1098934E+01 Metallicity 0.4716448E+01 Ellipticity 0.2898513E-01 Gb(Abramov) 0.2080822E+00 Vb(Abramov) -0.2729302E+00 Hb(Abramov) -0.6484803E-01 Ex_ueg -0.5535266E-01 Ec_ueg -0.8012207E-02 Delta_ex -0.6084125E-01 Delta_ec 0.1471134E-01 Delta_et -0.1945674E+00 Pxc 0.6908541E+01 Qxc -0.4135670E+01 3,-1 135 3 +3 -0.011766 0.031395 2.341991 Rho 0.4109986E-02 |GRAD(Rho)| 0.6479090E-16 GRAD(Rho)x 0.3096301E-16 GRAD(Rho)y -0.3362257E-16 GRAD(Rho)z -0.4592031E-16 Laplacian 0.1675149E-01 (-1/4)Del**2(Rho)) -0.4187872E-02 Diamond 0.1230897E-03 Metallicity 0.4338041E+00 Ellipticity -0.2654707E+00 Gb(Abramov) 0.3094701E-02 Vb(Abramov) -0.2001530E-02 Hb(Abramov) 0.1093171E-02 Ex_ueg -0.4862268E-03 Ec_ueg -0.1088153E-03 Delta_ex -0.5888281E-03 Delta_ec 0.1461554E-03 Delta_et -0.9050681E-03 Pxc 0.4468369E+01 Qxc -0.4028780E+01 3,+3 136 3 -1 -0.368151 0.374284 0.333497 Rho 0.1978562E+00 |GRAD(Rho)| 0.4138626E-13 GRAD(Rho)x 0.2137453E-13 GRAD(Rho)y -0.2547479E-13 GRAD(Rho)z -0.2463711E-13 Laplacian 0.6721875E+00 (-1/4)Del**2(Rho)) -0.1680469E+00 Diamond 0.2118948E+01 Metallicity 0.6887137E+01 Ellipticity 0.1031747E-01 Gb(Abramov) 0.3049249E+00 Vb(Abramov) -0.4418029E+00 Hb(Abramov) -0.1368780E+00 Ex_ueg -0.8514997E-01 Ec_ueg -0.1157468E-01 Delta_ex -0.7887671E-01 Delta_ec 0.1856765E-01 Delta_et -0.2641952E+00 Pxc 0.7356574E+01 Qxc -0.4248071E+01 3,-1 137 3 -1 0.620344 -2.854451 -1.764384 Rho 0.1001459E+00 |GRAD(Rho)| 0.1460208E-15 GRAD(Rho)x 0.1346308E-15 GRAD(Rho)y -0.5612779E-16 GRAD(Rho)z 0.6803369E-17 Laplacian 0.4371015E+00 (-1/4)Del**2(Rho)) -0.1092754E+00 Diamond 0.5744939E+00 Metallicity 0.3404756E+01 Ellipticity 0.1121456E-01 Gb(Abramov) 0.1348596E+00 Vb(Abramov) -0.1604438E+00 Hb(Abramov) -0.2558420E-01 Ex_ueg -0.3434755E-01 Ec_ueg -0.5333889E-02 Delta_ex -0.4312166E-01 Delta_ec 0.1309608E-01 Delta_et -0.1638436E+00 Pxc 0.6439495E+01 Qxc -0.3292716E+01 3,-1 138 3 -1 0.638146 -1.897890 -2.820976 Rho 0.1372627E+00 |GRAD(Rho)| 0.5154431E-14 GRAD(Rho)x 0.4944396E-14 GRAD(Rho)y -0.6012714E-15 GRAD(Rho)z 0.1326494E-14 Laplacian 0.5863817E+00 (-1/4)Del**2(Rho)) -0.1465954E+00 Diamond 0.1094808E+01 Metallicity 0.4292267E+01 Ellipticity 0.2254641E-01 Gb(Abramov) 0.2026014E+00 Vb(Abramov) -0.2586074E+00 Hb(Abramov) -0.5600599E-01 Ex_ueg -0.5229437E-01 Ec_ueg -0.7633196E-02 Delta_ex -0.6191993E-01 Delta_ec 0.1573885E-01 Delta_et -0.2078876E+00 Pxc 0.6850914E+01 Qxc -0.3934208E+01 3,-1 139 3 -1 0.793081 -1.923984 3.042930 Rho 0.1425912E+00 |GRAD(Rho)| 0.1877146E-12 GRAD(Rho)x -0.1198378E-12 GRAD(Rho)y -0.1350571E-12 GRAD(Rho)z -0.5133471E-13 Laplacian 0.5700176E+00 (-1/4)Del**2(Rho)) -0.1425044E+00 Diamond 0.1089428E+01 Metallicity 0.4704854E+01 Ellipticity 0.2675753E-01 Gb(Abramov) 0.2067467E+00 Vb(Abramov) -0.2709889E+00 Hb(Abramov) -0.6424227E-01 Ex_ueg -0.5501850E-01 Ec_ueg -0.7970944E-02 Delta_ex -0.6048594E-01 Delta_ec 0.1469152E-01 Delta_et -0.1942584E+00 Pxc 0.6902381E+01 Qxc -0.4117064E+01 3,-1 140 3 -1 0.469275 -1.667701 1.724594 Rho 0.3552578E-01 |GRAD(Rho)| 0.5627380E-13 GRAD(Rho)x 0.1801892E-13 GRAD(Rho)y 0.3647512E-13 GRAD(Rho)z -0.3887962E-13 Laplacian 0.1386049E+00 (-1/4)Del**2(Rho)) -0.3465123E-01 Diamond 0.4315990E-01 Metallicity 0.1908712E+01 Ellipticity 0.1068253E-01 Gb(Abramov) 0.3412403E-01 Vb(Abramov) -0.3359682E-01 Hb(Abramov) 0.5272055E-03 Ex_ueg -0.8625346E-02 Ec_ueg -0.1632000E-02 Delta_ex -0.1041224E-01 Delta_ec 0.4019309E-02 Delta_et -0.3867391E-01 Pxc 0.5285139E+01 Qxc -0.2590554E+01 3,-1 141 3 -1 1.949524 -2.927575 0.921717 Rho 0.1406600E+00 |GRAD(Rho)| 0.9127098E-12 GRAD(Rho)x -0.4955245E-12 GRAD(Rho)y -0.3595892E-12 GRAD(Rho)z 0.6768976E-12 Laplacian 0.5615286E+00 (-1/4)Del**2(Rho)) -0.1403821E+00 Diamond 0.1048791E+01 Metallicity 0.4668663E+01 Ellipticity 0.1519265E-01 Gb(Abramov) 0.2028209E+00 Vb(Abramov) -0.2652597E+00 Hb(Abramov) -0.6243878E-01 Ex_ueg -0.5402723E-01 Ec_ueg -0.7848329E-02 Delta_ex -0.5931170E-01 Delta_ec 0.1438578E-01 Delta_et -0.1895456E+00 Pxc 0.6883915E+01 Qxc -0.4122939E+01 3,-1 142 3 +1 1.422277 0.969999 -2.135449 Rho 0.2250603E-01 |GRAD(Rho)| 0.1607437E-16 GRAD(Rho)x -0.5220664E-17 GRAD(Rho)y 0.5417585E-17 GRAD(Rho)z -0.1420492E-16 Laplacian 0.8535342E-01 (-1/4)Del**2(Rho)) -0.2133835E-01 Diamond 0.8484785E-02 Metallicity 0.1448406E+01 Ellipticity -0.2284714E+01 Gb(Abramov) 0.1937667E-01 Vb(Abramov) -0.1741499E-01 Hb(Abramov) 0.1961685E-02 Ex_ueg -0.4692996E-02 Ec_ueg -0.9639853E-03 Delta_ex -0.5015221E-02 Delta_ec 0.1186164E-02 Delta_et -0.1028186E-01 Pxc 0.4868328E+01 Qxc -0.4228100E+01 3,+1 143 3 +1 2.947788 0.120998 -0.068007 Rho 0.4676238E-02 |GRAD(Rho)| 0.1355123E-16 GRAD(Rho)x 0.8088710E-19 GRAD(Rho)y 0.7783243E-17 GRAD(Rho)z 0.1109281E-16 Laplacian 0.1919356E-01 (-1/4)Del**2(Rho)) -0.4798389E-02 Diamond 0.4036573E-03 Metallicity 0.4694817E+00 Ellipticity -0.2460125E+01 Gb(Abramov) 0.3574385E-02 Vb(Abramov) -0.2350382E-02 Hb(Abramov) 0.1224004E-02 Ex_ueg -0.5775379E-03 Ec_ueg -0.1330067E-03 Delta_ex -0.9365930E-03 Delta_ec 0.5945563E-03 Delta_et -0.3168632E-02 Pxc 0.4342172E+01 Qxc -0.1575280E+01 3,+1 144 3 -1 2.764236 0.608280 1.876281 Rho 0.1477213E+00 |GRAD(Rho)| 0.9379128E-16 GRAD(Rho)x 0.3720169E-17 GRAD(Rho)y 0.6965999E-17 GRAD(Rho)z -0.9345823E-16 Laplacian 0.6256593E+00 (-1/4)Del**2(Rho)) -0.1564148E+00 Diamond 0.1241677E+01 Metallicity 0.4546536E+01 Ellipticity 0.1300041E-01 Gb(Abramov) 0.2228008E+00 Vb(Abramov) -0.2891868E+00 Hb(Abramov) -0.6638599E-01 Ex_ueg -0.5767346E-01 Ec_ueg -0.8297806E-02 Delta_ex -0.6690606E-01 Delta_ec 0.1587807E-01 Delta_et -0.2107868E+00 Pxc 0.6950447E+01 Qxc -0.4213739E+01 3,-1 145 3 -1 3.029487 0.825473 -1.961617 Rho 0.1064792E+00 |GRAD(Rho)| 0.4588871E-13 GRAD(Rho)x -0.1927508E-13 GRAD(Rho)y -0.3245130E-13 GRAD(Rho)z -0.2609900E-13 Laplacian 0.4486789E+00 (-1/4)Del**2(Rho)) -0.1121697E+00 Diamond 0.6235369E+00 Metallicity 0.3673830E+01 Ellipticity 0.1675763E-01 Gb(Abramov) 0.1434619E+00 Vb(Abramov) -0.1747541E+00 Hb(Abramov) -0.3129218E-01 Ex_ueg -0.3727391E-01 Ec_ueg -0.5719185E-02 Delta_ex -0.4471178E-01 Delta_ec 0.1294512E-01 Delta_et -0.1636061E+00 Pxc 0.6517346E+01 Qxc -0.3453949E+01 3,-1 146 3 -1 3.199203 3.210872 0.077397 Rho 0.2517995E+00 |GRAD(Rho)| 0.5936500E-14 GRAD(Rho)x -0.2739020E-14 GRAD(Rho)y 0.2983508E-14 GRAD(Rho)z 0.4340332E-14 Laplacian 0.9041110E+00 (-1/4)Del**2(Rho)) -0.2260277E+00 Diamond 0.3385589E+01 Metallicity 0.7652724E+01 Ellipticity 0.4056446E-02 Gb(Abramov) 0.4389732E+00 Vb(Abramov) -0.6519186E+00 Hb(Abramov) -0.2129454E+00 Ex_ueg -0.1174333E+00 Ec_ueg -0.1525859E-01 Delta_ex -0.1106057E+00 Delta_ec 0.1966753E-01 Delta_et -0.2726971E+00 Pxc 0.7696214E+01 Qxc -0.5623772E+01 3,-1 147 3 -1 -2.975283 -1.974666 -0.813090 Rho 0.1402786E+00 |GRAD(Rho)| 0.4073093E-14 GRAD(Rho)x 0.3452764E-14 GRAD(Rho)y 0.2141082E-14 GRAD(Rho)z 0.2902951E-15 Laplacian 0.5543865E+00 (-1/4)Del**2(Rho)) -0.1385966E+00 Diamond 0.1043194E+01 Metallicity 0.4707456E+01 Ellipticity 0.2615812E-01 Gb(Abramov) 0.2011373E+00 Vb(Abramov) -0.2636780E+00 Hb(Abramov) -0.6254070E-01 Ex_ueg -0.5383197E-01 Ec_ueg -0.7824139E-02 Delta_ex -0.5863960E-01 Delta_ec 0.1442839E-01 Delta_et -0.1904847E+00 Pxc 0.6880243E+01 Qxc -0.4064183E+01 3,-1 148 3 -1 -2.956695 -0.864249 -1.969264 Rho 0.1461049E+00 |GRAD(Rho)| 0.1499260E-13 GRAD(Rho)x -0.5530529E-14 GRAD(Rho)y -0.1334328E-13 GRAD(Rho)z -0.4018487E-14 Laplacian 0.5782099E+00 (-1/4)Del**2(Rho)) -0.1445525E+00 Diamond 0.1138607E+01 Metallicity 0.4830241E+01 Ellipticity 0.3459126E-01 Gb(Abramov) 0.2127389E+00 Vb(Abramov) -0.2809253E+00 Hb(Abramov) -0.6818639E-01 Ex_ueg -0.5683353E-01 Ec_ueg -0.8194638E-02 Delta_ex -0.6172889E-01 Delta_ec 0.1482741E-01 Delta_et -0.1967848E+00 Pxc 0.6935454E+01 Qxc -0.4163161E+01 3,-1 149 3 -1 -1.998956 0.868058 2.969416 Rho 0.1406184E+00 |GRAD(Rho)| 0.4818892E-15 GRAD(Rho)x -0.8380883E-16 GRAD(Rho)y -0.4596069E-15 GRAD(Rho)z 0.1181306E-15 Laplacian 0.5612255E+00 (-1/4)Del**2(Rho)) -0.1403064E+00 Diamond 0.1054419E+01 Metallicity 0.4668879E+01 Ellipticity 0.2432049E-01 Gb(Abramov) 0.2027165E+00 Vb(Abramov) -0.2651266E+00 Hb(Abramov) -0.6241013E-01 Ex_ueg -0.5400590E-01 Ec_ueg -0.7845688E-02 Delta_ex -0.5934670E-01 Delta_ec 0.1450634E-01 Delta_et -0.1913943E+00 Pxc 0.6883514E+01 Qxc -0.4091087E+01 3,-1 150 3 -1 -0.848988 2.985669 1.965980 Rho 0.1322758E+00 |GRAD(Rho)| 0.5777746E-15 GRAD(Rho)x 0.5661839E-15 GRAD(Rho)y -0.7815065E-16 GRAD(Rho)z 0.8456777E-16 Laplacian 0.5307592E+00 (-1/4)Del**2(Rho)) -0.1326898E+00 Diamond 0.9315498E+00 Metallicity 0.4458440E+01 Ellipticity 0.3794446E-01 Gb(Abramov) 0.1870581E+00 Vb(Abramov) -0.2414264E+00 Hb(Abramov) -0.5436831E-01 Ex_ueg -0.4977664E-01 Ec_ueg -0.7318757E-02 Delta_ex -0.5535768E-01 Delta_ec 0.1402853E-01 Delta_et -0.1835402E+00 Pxc 0.6801242E+01 Qxc -0.3946080E+01 3,-1 151 3 -1 -0.532936 1.775460 -2.785664 Rho 0.1400233E+00 |GRAD(Rho)| 0.2383434E-12 GRAD(Rho)x 0.1634355E-12 GRAD(Rho)y 0.1701093E-12 GRAD(Rho)z 0.3404761E-13 Laplacian 0.5891349E+00 (-1/4)Del**2(Rho)) -0.1472837E+00 Diamond 0.1101930E+01 Metallicity 0.4416372E+01 Ellipticity 0.1208060E-01 Gb(Abramov) 0.2065991E+00 Vb(Abramov) -0.2659144E+00 Hb(Abramov) -0.5931536E-01 Ex_ueg -0.5370138E-01 Ec_ueg -0.7807953E-02 Delta_ex -0.6224132E-01 Delta_ec 0.1525712E-01 Delta_et -0.2011996E+00 Pxc 0.6877780E+01 Qxc -0.4079493E+01 3,-1 152 3 -1 -0.525747 2.740319 -1.817456 Rho 0.1174580E+00 |GRAD(Rho)| 0.3988256E-13 GRAD(Rho)x 0.2550060E-13 GRAD(Rho)y -0.5728962E-14 GRAD(Rho)z -0.3012502E-13 Laplacian 0.4923771E+00 (-1/4)Del**2(Rho)) -0.1230943E+00 Diamond 0.7526983E+00 Metallicity 0.3942631E+01 Ellipticity 0.8337529E-02 Gb(Abramov) 0.1629487E+00 Vb(Abramov) -0.2028032E+00 Hb(Abramov) -0.3985445E-01 Ex_ueg -0.4248429E-01 Ec_ueg -0.6394225E-02 Delta_ex -0.4996435E-01 Delta_ec 0.1346929E-01 Delta_et -0.1728240E+00 Pxc 0.6644166E+01 Qxc -0.3709502E+01 3,-1 153 3 -1 -0.027291 3.169613 -3.208008 Rho 0.2523749E+00 |GRAD(Rho)| 0.2922781E-15 GRAD(Rho)x 0.1740144E-16 GRAD(Rho)y 0.2677979E-15 GRAD(Rho)z -0.1157928E-15 Laplacian 0.9141047E+00 (-1/4)Del**2(Rho)) -0.2285262E+00 Diamond 0.3425136E+01 Metallicity 0.7597911E+01 Ellipticity 0.8194211E-03 Gb(Abramov) 0.4417377E+00 Vb(Abramov) -0.6549492E+00 Hb(Abramov) -0.2132115E+00 Ex_ueg -0.1177913E+00 Ec_ueg -0.1529875E-01 Delta_ex -0.1118591E+00 Delta_ec 0.1980628E-01 Delta_et -0.2743278E+00 Pxc 0.7699410E+01 Qxc -0.5647658E+01 3,-1 154 3 -1 0.046046 3.246373 3.188472 Rho 0.2532524E+00 |GRAD(Rho)| 0.4110734E-15 GRAD(Rho)x -0.9516585E-16 GRAD(Rho)y 0.6722053E-16 GRAD(Rho)z -0.3942159E-15 Laplacian 0.9074961E+00 (-1/4)Del**2(Rho)) -0.2268740E+00 Diamond 0.3426510E+01 Metallicity 0.7697642E+01 Ellipticity 0.4384282E-02 Gb(Abramov) 0.4423152E+00 Vb(Abramov) -0.6577564E+00 Hb(Abramov) -0.2154412E+00 Ex_ueg -0.1183377E+00 Ec_ueg -0.1536002E-01 Delta_ex -0.1112107E+00 Delta_ec 0.1974751E-01 Delta_et -0.2740299E+00 Pxc 0.7704268E+01 Qxc -0.5631633E+01 3,-1 155 3 -1 0.361170 -0.356697 0.344600 Rho 0.1996592E+00 |GRAD(Rho)| 0.1242699E-12 GRAD(Rho)x -0.7079613E-13 GRAD(Rho)y 0.6883067E-13 GRAD(Rho)z -0.7545361E-13 Laplacian 0.6869815E+00 (-1/4)Del**2(Rho)) -0.1717454E+00 Diamond 0.2189032E+01 Metallicity 0.6841485E+01 Ellipticity 0.1058314E-01 Gb(Abramov) 0.3103292E+00 Vb(Abramov) -0.4489129E+00 Hb(Abramov) -0.1385838E+00 Ex_ueg -0.8618616E-01 Ec_ueg -0.1169521E-01 Delta_ex -0.8079191E-01 Delta_ec 0.1892947E-01 Delta_et -0.2696563E+00 Pxc 0.7369353E+01 Qxc -0.4268049E+01 3,-1 156 3 -1 1.819637 -2.806476 -0.485192 Rho 0.1815188E+00 |GRAD(Rho)| 0.8210868E-14 GRAD(Rho)x 0.6311032E-14 GRAD(Rho)y 0.1503246E-14 GRAD(Rho)z 0.5032839E-14 Laplacian 0.7572236E+00 (-1/4)Del**2(Rho)) -0.1893059E+00 Diamond 0.1903914E+01 Metallicity 0.5295723E+01 Ellipticity 0.2003368E-01 Gb(Abramov) 0.2932892E+00 Vb(Abramov) -0.3972725E+00 Hb(Abramov) -0.1039833E+00 Ex_ueg -0.7590680E-01 Ec_ueg -0.1049086E-01 Delta_ex -0.8507422E-01 Delta_ec 0.1794416E-01 Delta_et -0.2434186E+00 Pxc 0.7235516E+01 Qxc -0.4741052E+01 3,-1 157 3 +1 1.806183 -1.817908 -1.717427 Rho 0.1149601E-01 |GRAD(Rho)| 0.2214653E-16 GRAD(Rho)x 0.1364708E-16 GRAD(Rho)y -0.8502199E-17 GRAD(Rho)z 0.1522953E-16 Laplacian 0.5460749E-01 (-1/4)Del**2(Rho)) -0.1365187E-01 Diamond 0.2022170E-02 Metallicity 0.7389347E+00 Ellipticity -0.1277366E+01 Gb(Abramov) 0.1078256E-01 Vb(Abramov) -0.7913239E-02 Hb(Abramov) 0.2869317E-02 Ex_ueg -0.1916231E-02 Ec_ueg -0.4363533E-03 Delta_ex -0.2641508E-02 Delta_ec 0.6864268E-03 Delta_et -0.5110796E-02 Pxc 0.4391467E+01 Qxc -0.3848200E+01 3,+1 158 3 +1 1.969333 -1.964060 2.100017 Rho 0.1299844E-01 |GRAD(Rho)| 0.1315939E-16 GRAD(Rho)x -0.1193743E-16 GRAD(Rho)y 0.2822909E-17 GRAD(Rho)z 0.4764282E-17 Laplacian 0.6325631E-01 (-1/4)Del**2(Rho)) -0.1581408E-01 Diamond 0.2430546E-02 Metallicity 0.7828191E+00 Ellipticity -0.1174119E+01 Gb(Abramov) 0.1260598E-01 Vb(Abramov) -0.9397880E-02 Hb(Abramov) 0.3208099E-02 Ex_ueg -0.2257218E-02 Ec_ueg -0.5058545E-03 Delta_ex -0.3072406E-02 Delta_ec 0.6365009E-03 Delta_et -0.5002044E-02 Pxc 0.4462187E+01 Qxc -0.4827026E+01 3,+1 159 3 -1 1.887637 -0.652993 -2.824216 Rho 0.1363672E+00 |GRAD(Rho)| 0.1597080E-11 GRAD(Rho)x -0.1127344E-11 GRAD(Rho)y -0.1073249E-11 GRAD(Rho)z -0.3576230E-12 Laplacian 0.5823067E+00 (-1/4)Del**2(Rho)) -0.1455767E+00 Diamond 0.1079898E+01 Metallicity 0.4275413E+01 Ellipticity 0.2397940E-01 Gb(Abramov) 0.2007845E+00 Vb(Abramov) -0.2559924E+00 Hb(Abramov) -0.5520785E-01 Ex_ueg -0.5184002E-01 Ec_ueg -0.7576618E-02 Delta_ex -0.6140644E-01 Delta_ec 0.1567836E-01 Delta_et -0.2069168E+00 Pxc 0.6842105E+01 Qxc -0.3916636E+01 3,-1 160 3 +1 2.075561 -1.007360 1.378872 Rho 0.2549990E-01 |GRAD(Rho)| 0.7618230E-16 GRAD(Rho)x 0.6927962E-16 GRAD(Rho)y 0.2723049E-17 GRAD(Rho)z 0.3156998E-16 Laplacian 0.1010633E+00 (-1/4)Del**2(Rho)) -0.2526583E-01 Diamond 0.1347419E-01 Metallicity 0.1506319E+01 Ellipticity -0.3450309E+01 Gb(Abramov) 0.2318695E-01 Vb(Abramov) -0.2110807E-01 Hb(Abramov) 0.2078876E-02 Ex_ueg -0.5543315E-02 Ec_ueg -0.1113916E-02 Delta_ex -0.6307407E-02 Delta_ec 0.1694380E-02 Delta_et -0.1503358E-01 Pxc 0.4976422E+01 Qxc -0.3722546E+01 3,+1 161 3 -1 1.939081 -0.785631 3.038448 Rho 0.1437149E+00 |GRAD(Rho)| 0.3520424E-15 GRAD(Rho)x 0.2757939E-16 GRAD(Rho)y -0.2944558E-15 GRAD(Rho)z 0.1909687E-15 Laplacian 0.5747990E+00 (-1/4)Del**2(Rho)) -0.1436997E+00 Diamond 0.1108135E+01 Metallicity 0.4727160E+01 Ellipticity 0.2832995E-01 Gb(Abramov) 0.2090151E+00 Vb(Abramov) -0.2743305E+00 Hb(Abramov) -0.6531536E-01 Ex_ueg -0.5559736E-01 Ec_ueg -0.8042400E-02 Delta_ex -0.6110144E-01 Delta_ec 0.1477052E-01 Delta_et -0.1954955E+00 Pxc 0.6913031E+01 Qxc -0.4136715E+01 3,-1 162 3 +1 1.719368 -0.517745 -0.568983 Rho 0.8248710E-02 |GRAD(Rho)| 0.3162100E-16 GRAD(Rho)x -0.9569374E-17 GRAD(Rho)y -0.2002169E-16 GRAD(Rho)z 0.2252657E-16 Laplacian 0.3421521E-01 (-1/4)Del**2(Rho)) -0.8553802E-02 Diamond 0.9397373E-03 Metallicity 0.6782201E+00 Ellipticity -0.1451169E+01 Gb(Abramov) 0.6669428E-02 Vb(Abramov) -0.4785054E-02 Hb(Abramov) 0.1884374E-02 Ex_ueg -0.1230929E-02 Ec_ueg -0.2892899E-03 Delta_ex -0.1582270E-02 Delta_ec 0.5449710E-03 Delta_et -0.3632829E-02 Pxc 0.4255002E+01 Qxc -0.2903402E+01 3,+1 163 3 -1 1.678284 -0.466337 1.719943 Rho 0.3551886E-01 |GRAD(Rho)| 0.6866455E-16 GRAD(Rho)x -0.5068042E-16 GRAD(Rho)y -0.2295311E-16 GRAD(Rho)z -0.4024264E-16 Laplacian 0.1385041E+00 (-1/4)Del**2(Rho)) -0.3462603E-01 Diamond 0.4313453E-01 Metallicity 0.1909482E+01 Ellipticity 0.1174433E-01 Gb(Abramov) 0.3410364E-01 Vb(Abramov) -0.3358126E-01 Hb(Abramov) 0.5223823E-03 Ex_ueg -0.8623105E-02 Ec_ueg -0.1631634E-02 Delta_ex -0.1040535E-01 Delta_ec 0.4018509E-02 Delta_et -0.3866425E-01 Pxc 0.5284949E+01 Qxc -0.2589356E+01 3,-1 164 3 -1 -2.739489 0.532796 -1.806633 Rho 0.1119481E+00 |GRAD(Rho)| 0.1108789E-15 GRAD(Rho)x -0.3449457E-16 GRAD(Rho)y -0.1053438E-15 GRAD(Rho)z -0.2635967E-17 Laplacian 0.4673602E+00 (-1/4)Del**2(Rho)) -0.1168401E+00 Diamond 0.6754158E+00 Metallicity 0.3834034E+01 Ellipticity 0.1324918E-01 Gb(Abramov) 0.1525548E+00 Vb(Abramov) -0.1882696E+00 Hb(Abramov) -0.3571478E-01 Ex_ueg -0.3984808E-01 Ec_ueg -0.6054343E-02 Delta_ex -0.4690682E-01 Delta_ec 0.1295486E-01 Delta_et -0.1648049E+00 Pxc 0.6581735E+01 Qxc -0.3620789E+01 3,-1 165 3 -1 -2.982994 0.865766 1.973208 Rho 0.1394876E+00 |GRAD(Rho)| 0.4682326E-14 GRAD(Rho)x 0.1410757E-14 GRAD(Rho)y -0.3565927E-14 GRAD(Rho)z 0.2686653E-14 Laplacian 0.5591026E+00 (-1/4)Del**2(Rho)) -0.1397756E+00 Diamond 0.1044359E+01 Metallicity 0.4623965E+01 Ellipticity 0.3957489E-01 Gb(Abramov) 0.2009034E+00 Vb(Abramov) -0.2620311E+00 Hb(Abramov) -0.6112773E-01 Ex_ueg -0.5342764E-01 Ec_ueg -0.7774005E-02 Delta_ex -0.5905077E-01 Delta_ec 0.1455960E-01 Delta_et -0.1920274E+00 Pxc 0.6872602E+01 Qxc -0.4055796E+01 3,-1 166 3 -1 -0.839335 -3.030357 -1.950071 Rho 0.1070647E+00 |GRAD(Rho)| 0.8249715E-15 GRAD(Rho)x 0.6075733E-15 GRAD(Rho)y 0.2818384E-15 GRAD(Rho)z -0.4816636E-15 Laplacian 0.4512757E+00 (-1/4)Del**2(Rho)) -0.1128189E+00 Diamond 0.6310502E+00 Metallicity 0.3686222E+01 Ellipticity 0.1639121E-01 Gb(Abramov) 0.1445252E+00 Vb(Abramov) -0.1762315E+00 Hb(Abramov) -0.3170629E-01 Ex_ueg -0.3754741E-01 Ec_ueg -0.5754956E-02 Delta_ex -0.4502389E-01 Delta_ec 0.1299727E-01 Delta_et -0.1644345E+00 Pxc 0.6524360E+01 Qxc -0.3464104E+01 3,-1 167 3 -1 1.676257 -1.676610 0.517691 Rho 0.4404915E-01 |GRAD(Rho)| 0.8647564E-13 GRAD(Rho)x 0.5853113E-13 GRAD(Rho)y -0.5892310E-13 GRAD(Rho)z -0.2408757E-13 Laplacian 0.1737445E+00 (-1/4)Del**2(Rho)) -0.4343612E-01 Diamond 0.7146075E-01 Metallicity 0.2179038E+01 Ellipticity 0.1030983E-01 Gb(Abramov) 0.4473224E-01 Vb(Abramov) -0.4602836E-01 Hb(Abramov) -0.1296117E-02 Ex_ueg -0.1148952E-01 Ec_ueg -0.2088674E-02 Delta_ex -0.1371766E-01 Delta_ec 0.4937737E-02 Delta_et -0.5031200E-01 Pxc 0.5500867E+01 Qxc -0.2778127E+01 3,-1 168 3 -1 0.526871 1.662366 -1.712280 Rho 0.4263818E-01 |GRAD(Rho)| 0.4278409E-16 GRAD(Rho)x 0.2597321E-17 GRAD(Rho)y 0.3160132E-16 GRAD(Rho)z -0.2872437E-16 Laplacian 0.1716080E+00 (-1/4)Del**2(Rho)) -0.4290201E-01 Diamond 0.6959822E-01 Metallicity 0.2089649E+01 Ellipticity 0.1129493E-01 Gb(Abramov) 0.4354303E-01 Vb(Abramov) -0.4418404E-01 Hb(Abramov) -0.6410170E-03 Ex_ueg -0.1100145E-01 Ec_ueg -0.2012174E-02 Delta_ex -0.1354899E-01 Delta_ec 0.5075565E-02 Delta_et -0.5130783E-01 Pxc 0.5467443E+01 Qxc -0.2669453E+01 3,-1 169 3 -1 0.569794 1.845021 2.823679 Rho 0.1477957E+00 |GRAD(Rho)| 0.6602118E-14 GRAD(Rho)x -0.4165030E-14 GRAD(Rho)y 0.4946998E-14 GRAD(Rho)z -0.1329550E-14 Laplacian 0.6215216E+00 (-1/4)Del**2(Rho)) -0.1553804E+00 Diamond 0.1241421E+01 Metallicity 0.4580643E+01 Ellipticity 0.1062395E-01 Gb(Abramov) 0.2222106E+00 Vb(Abramov) -0.2890408E+00 Hb(Abramov) -0.6683021E-01 Ex_ueg -0.5771216E-01 Ec_ueg -0.8302554E-02 Delta_ex -0.6654505E-01 Delta_ec 0.1590189E-01 Delta_et -0.2114142E+00 Pxc 0.6951133E+01 Qxc -0.4184726E+01 3,-1 170 3 -1 3.014971 1.986408 -0.808960 Rho 0.1708820E+00 |GRAD(Rho)| 0.2849559E-13 GRAD(Rho)x -0.1147499E-13 GRAD(Rho)y 0.1633698E-13 GRAD(Rho)z 0.2033288E-13 Laplacian 0.6749098E+00 (-1/4)Del**2(Rho)) -0.1687275E+00 Diamond 0.1595003E+01 Metallicity 0.5372723E+01 Ellipticity 0.3313495E-01 Gb(Abramov) 0.2635726E+00 Vb(Abramov) -0.3584178E+00 Hb(Abramov) -0.9484516E-01 Ex_ueg -0.7003471E-01 Ec_ueg -0.9793402E-02 Delta_ex -0.7482197E-01 Delta_ec 0.1650101E-01 Delta_et -0.2231558E+00 Pxc 0.7151214E+01 Qxc -0.4534387E+01 3,-1 171 3 -1 -4.170597 3.836044 -0.902555 Rho 0.3285064E+00 |GRAD(Rho)| 0.6381297E-15 GRAD(Rho)x 0.3815604E-15 GRAD(Rho)y 0.4374889E-15 GRAD(Rho)z -0.2649993E-15 Laplacian -0.1809183E+01 (-1/4)Del**2(Rho)) 0.4522958E+00 Diamond 0.6383414E+01 Metallicity -0.5957128E+01 Ellipticity 0.8193821E-03 Gb(Abramov) 0.1475335E+00 Vb(Abramov) -0.7473628E+00 Hb(Abramov) -0.5998293E+00 Ex_ueg -0.1674082E+00 Ec_ueg -0.2077257E-01 Delta_ex 0.1825237E+00 Delta_ec 0.6223636E-01 Delta_et -0.1496632E+01 Pxc 0.8059100E+01 Qxc 0.2932750E+01 3,-1 172 3 -1 -3.179918 3.187404 -0.130789 Rho 0.1741089E+00 |GRAD(Rho)| 0.4642489E-15 GRAD(Rho)x 0.3597112E-15 GRAD(Rho)y -0.2662801E-15 GRAD(Rho)z 0.1234093E-15 Laplacian 0.6650300E+00 (-1/4)Del**2(Rho)) -0.1662575E+00 Diamond 0.1644143E+01 Metallicity 0.5625227E+01 Ellipticity 0.1149174E+00 Gb(Abramov) 0.2667110E+00 Vb(Abramov) -0.3671645E+00 Hb(Abramov) -0.1004535E+00 Ex_ueg -0.7180360E-01 Ec_ueg -0.1000430E-01 Delta_ex -0.7437334E-01 Delta_ec 0.1671679E-01 Delta_et -0.2280845E+00 Pxc 0.7177275E+01 Qxc -0.4449020E+01 3,-1 173 3 -1 2.846753 -0.632069 -1.770670 Rho 0.1018698E+00 |GRAD(Rho)| 0.3846866E-12 GRAD(Rho)x 0.8121544E-13 GRAD(Rho)y -0.2398399E-12 GRAD(Rho)z 0.2895939E-12 Laplacian 0.4447313E+00 (-1/4)Del**2(Rho)) -0.1111828E+00 Diamond 0.5960216E+00 Metallicity 0.3442903E+01 Ellipticity 0.1337228E-01 Gb(Abramov) 0.1379205E+00 Vb(Abramov) -0.1646582E+00 Hb(Abramov) -0.2673768E-01 Ex_ueg -0.3513818E-01 Ec_ueg -0.5438459E-02 Delta_ex -0.4403514E-01 Delta_ec 0.1325633E-01 Delta_et -0.1664161E+00 Pxc 0.6461054E+01 Qxc -0.3321820E+01 3,-1 174 3 -1 2.942478 -0.816459 2.058749 Rho 0.1448988E+00 |GRAD(Rho)| 0.5545742E-16 GRAD(Rho)x -0.2331035E-17 GRAD(Rho)y -0.4720345E-16 GRAD(Rho)z -0.2901596E-16 Laplacian 0.5819275E+00 (-1/4)Del**2(Rho)) -0.1454819E+00 Diamond 0.1135940E+01 Metallicity 0.4733535E+01 Ellipticity 0.4681169E-01 Gb(Abramov) 0.2117619E+00 Vb(Abramov) -0.2780418E+00 Hb(Abramov) -0.6627998E-01 Ex_ueg -0.5620886E-01 Ec_ueg -0.8117768E-02 Delta_ex -0.6201419E-01 Delta_ec 0.1497861E-01 Delta_et -0.1986078E+00 Pxc 0.6924177E+01 Qxc -0.4140183E+01 3,-1 175 3 -1 3.310118 -0.108185 -3.212545 Rho 0.2302046E+00 |GRAD(Rho)| 0.1019044E-14 GRAD(Rho)x 0.8260536E-15 GRAD(Rho)y -0.2477673E-15 GRAD(Rho)z -0.5428600E-15 Laplacian 0.8390963E+00 (-1/4)Del**2(Rho)) -0.2097741E+00 Diamond 0.2816631E+01 Metallicity 0.7101085E+01 Ellipticity 0.5457493E-02 Gb(Abramov) 0.3881200E+00 Vb(Abramov) -0.5664659E+00 Hb(Abramov) -0.1783459E+00 Ex_ueg -0.1042006E+00 Ec_ueg -0.1376461E-01 Delta_ex -0.1002521E+00 Delta_ec 0.1870560E-01 Delta_et -0.2584316E+00 Pxc 0.7570183E+01 Qxc -0.5359469E+01 3,-1 176 3 -1 3.181227 0.094946 3.266236 Rho 0.2540490E+00 |GRAD(Rho)| 0.1850078E-14 GRAD(Rho)x -0.1292261E-14 GRAD(Rho)y -0.3834281E-15 GRAD(Rho)z -0.1267215E-14 Laplacian 0.9083092E+00 (-1/4)Del**2(Rho)) -0.2270773E+00 Diamond 0.3444878E+01 Metallicity 0.7731114E+01 Ellipticity 0.2116728E-02 Gb(Abramov) 0.4439783E+00 Vb(Abramov) -0.6608792E+00 Hb(Abramov) -0.2169010E+00 Ex_ueg -0.1188343E+00 Ec_ueg -0.1541568E-01 Delta_ex -0.1114136E+00 Delta_ec 0.1976659E-01 Delta_et -0.2744073E+00 Pxc 0.7708662E+01 Qxc -0.5636462E+01 3,-1 177 3 -1 -1.707854 0.509553 1.679241 Rho 0.3645381E-01 |GRAD(Rho)| 0.1567630E-15 GRAD(Rho)x -0.1464332E-15 GRAD(Rho)y -0.1455790E-16 GRAD(Rho)z 0.5403731E-16 Laplacian 0.1432445E+00 (-1/4)Del**2(Rho)) -0.3581112E-01 Diamond 0.4630831E-01 Metallicity 0.1927999E+01 Ellipticity 0.1867780E-01 Gb(Abramov) 0.3538138E-01 Vb(Abramov) -0.3495164E-01 Hb(Abramov) 0.4297413E-03 Ex_ueg -0.8927069E-02 Ec_ueg -0.1681060E-02 Delta_ex -0.1083691E-01 Delta_ec 0.4166246E-02 Delta_et -0.4036989E-01 Pxc 0.5310380E+01 Qxc -0.2601120E+01 3,-1 178 3 -1 2.783900 1.819258 0.608934 Rho 0.1362530E+00 |GRAD(Rho)| 0.2188938E-14 GRAD(Rho)x -0.1681733E-15 GRAD(Rho)y 0.1727636E-14 GRAD(Rho)z -0.1333582E-14 Laplacian 0.5716844E+00 (-1/4)Del**2(Rho)) -0.1429211E+00 Diamond 0.1038370E+01 Metallicity 0.4348777E+01 Ellipticity 0.1367464E-01 Gb(Abramov) 0.1988694E+00 Vb(Abramov) -0.2548177E+00 Hb(Abramov) -0.5594829E-01 Ex_ueg -0.5178214E-01 Ec_ueg -0.7569405E-02 Delta_ex -0.6003902E-01 Delta_ec 0.1497568E-01 Delta_et -0.1968059E+00 Pxc 0.6840978E+01 Qxc -0.4009101E+01 3,-1 179 3 +3 1.773315 -1.767746 1.898152 Rho 0.1246567E-01 |GRAD(Rho)| 0.6157448E-15 GRAD(Rho)x -0.3210297E-15 GRAD(Rho)y 0.3238647E-15 GRAD(Rho)z -0.4137552E-15 Laplacian 0.5839237E-01 (-1/4)Del**2(Rho)) -0.1459809E-01 Diamond 0.1283874E-02 Metallicity 0.7908904E+00 Ellipticity -0.6061966E+00 Gb(Abramov) 0.1165631E-01 Vb(Abramov) -0.8714528E-02 Hb(Abramov) 0.2941782E-02 Ex_ueg -0.2134711E-02 Ec_ueg -0.4811083E-03 Delta_ex -0.2574765E-02 Delta_ec 0.1785840E-03 Delta_et -0.1787570E-02 Pxc 0.4437070E+01 Qxc -0.1441767E+02 3,+3 180 3 -1 2.928016 -1.956798 0.916553 Rho 0.1413302E+00 |GRAD(Rho)| 0.1462896E-14 GRAD(Rho)x -0.9100658E-15 GRAD(Rho)y 0.1144646E-14 GRAD(Rho)z 0.4037298E-16 Laplacian 0.5659884E+00 (-1/4)Del**2(Rho)) -0.1414971E+00 Diamond 0.1062445E+01 Metallicity 0.4668711E+01 Ellipticity 0.1393254E-01 Gb(Abramov) 0.2044329E+00 Vb(Abramov) -0.2673687E+00 Hb(Abramov) -0.6293581E-01 Ex_ueg -0.5437069E-01 Ec_ueg -0.7890850E-02 Delta_ex -0.5984431E-01 Delta_ec 0.1446914E-01 Delta_et -0.1907482E+00 Pxc 0.6890346E+01 Qxc -0.4135996E+01 3,-1 181 3 -1 -2.789945 -0.550029 1.823905 Rho 0.1550654E+00 |GRAD(Rho)| 0.1261958E-13 GRAD(Rho)x 0.7039582E-14 GRAD(Rho)y -0.7261173E-15 GRAD(Rho)z -0.1044848E-13 Laplacian 0.6516248E+00 (-1/4)Del**2(Rho)) -0.1629062E+00 Diamond 0.1370536E+01 Metallicity 0.4733043E+01 Ellipticity 0.1212849E-01 Gb(Abramov) 0.2371111E+00 Vb(Abramov) -0.3113161E+00 Hb(Abramov) -0.7420495E-01 Ex_ueg -0.6152784E-01 Ec_ueg -0.8768558E-02 Delta_ex -0.7051782E-01 Delta_ec 0.1633342E-01 Delta_et -0.2182629E+00 Pxc 0.7016871E+01 Qxc -0.4317394E+01 3,-1 182 3 -1 -1.780271 0.528531 -2.782223 Rho 0.1422889E+00 |GRAD(Rho)| 0.3057413E-15 GRAD(Rho)x -0.7087972E-16 GRAD(Rho)y -0.2730563E-15 GRAD(Rho)z 0.1178731E-15 Laplacian 0.5995480E+00 (-1/4)Del**2(Rho)) -0.1498870E+00 Diamond 0.1141245E+01 Metallicity 0.4457325E+01 Ellipticity 0.1124322E-01 Gb(Abramov) 0.2112738E+00 Vb(Abramov) -0.2726607E+00 Hb(Abramov) -0.6138684E-01 Ex_ueg -0.5486303E-01 Ec_ueg -0.7951735E-02 Delta_ex -0.6356833E-01 Delta_ec 0.1542812E-01 Delta_et -0.2038646E+00 Pxc 0.6899504E+01 Qxc -0.4120289E+01 3,-1 183 3 -1 2.798634 -1.826820 -0.488731 Rho 0.1798585E+00 |GRAD(Rho)| 0.2319928E-15 GRAD(Rho)x -0.1770909E-15 GRAD(Rho)y 0.5290907E-16 GRAD(Rho)z 0.1402144E-15 Laplacian 0.7475394E+00 (-1/4)Del**2(Rho)) -0.1868849E+00 Diamond 0.1858461E+01 Metallicity 0.5282800E+01 Ellipticity 0.1915060E-01 Gb(Abramov) 0.2891358E+00 Vb(Abramov) -0.3913867E+00 Hb(Abramov) -0.1022509E+00 Ex_ueg -0.7498248E-01 Ec_ueg -0.1038157E-01 Delta_ex -0.8378770E-01 Delta_ec 0.1775143E-01 Delta_et -0.2405665E+00 Pxc 0.7222655E+01 Qxc -0.4720055E+01 3,-1 184 3 -1 0.563957 2.787260 1.813802 Rho 0.1552653E+00 |GRAD(Rho)| 0.4519871E-15 GRAD(Rho)x -0.2257309E-15 GRAD(Rho)y -0.2186497E-15 GRAD(Rho)z 0.3248541E-15 Laplacian 0.6528273E+00 (-1/4)Del**2(Rho)) -0.1632068E+00 Diamond 0.1373931E+01 Metallicity 0.4734477E+01 Ellipticity 0.1188635E-01 Gb(Abramov) 0.2375877E+00 Vb(Abramov) -0.3119686E+00 Hb(Abramov) -0.7438088E-01 Ex_ueg -0.6163359E-01 Ec_ueg -0.8781414E-02 Delta_ex -0.7065845E-01 Delta_ec 0.1633686E-01 Delta_et -0.2182940E+00 Pxc 0.7018640E+01 Qxc -0.4325093E+01 3,-1 185 3 -1 4.004075 -4.139695 -0.679734 Rho 0.3286547E+00 |GRAD(Rho)| 0.9124986E-15 GRAD(Rho)x 0.2118838E-15 GRAD(Rho)y 0.2503376E-15 GRAD(Rho)z -0.8515222E-15 Laplacian -0.1806739E+01 (-1/4)Del**2(Rho)) 0.4516847E+00 Diamond 0.6384889E+01 Metallicity -0.5969677E+01 Ellipticity 0.2790824E-03 Gb(Abramov) 0.1482788E+00 Vb(Abramov) -0.7482422E+00 Hb(Abramov) -0.5999634E+00 Ex_ueg -0.1675090E+00 Ec_ueg -0.2078355E-01 Delta_ex 0.1822859E+00 Delta_ec 0.6219392E-01 Delta_et -0.1495732E+01 Pxc 0.8059692E+01 Qxc 0.2930927E+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 78 140 75 72 139 89 71 73 138 137 104 166 70 168 151 152 118 88 153 133 169 184 134 150 154 167 183 156 180 141 125 80 178 87 170 86 146 99 93 102 97 103 172 106 63 67 147 60 58 132 164 182 148 130 128 177 181 131 165 149 127 163 144 120 174 161 176 119 173 159 145 121 175 155 113 114 136 185 171 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 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0.981185 0.981232 2.517116 1.930259 1.920893 1.941995 1.932950 1.722927 2.535918 1.945324 2.063788 2.026366 2.048636 1.760804 2.434691 1.939062 2.009822 1.876992 1.935862 1.724826 2.501823 1.917939 1.899586 1.940889 1.970743 1.723665 2.416305 1.844891 1.841017 1.947482 1.949762 1.864622 2.479189 1.949679 1.976711 1.872481 1.946040 1.725904 2.380493 1.858045 1.868847 1.929824 1.910615 1.864236 2.484788 1.974293 1.946230 1.949204 1.873454 1.725887 2.432672 2.029354 1.932654 1.933385 1.874301 1.724524 2.505270 1.899971 1.925761 1.950114 1.948293 1.724275 2.517224 1.917811 1.936110 1.934888 1.938935 1.722484 2.534850 2.057034 1.947840 2.050773 2.025919 1.761152 1.564360 1.551097 1.550546 1.568257 0.981459 0.981516 29 25 26 25 23 20 29 25 25 26 25 22 27 24 25 25 27 22 29 26 23 26 23 20 27 23 22 23 25 23 29 23 26 24 26 22 27 22 24 23 26 23 29 23 23 24 23 20 28 27 23 23 23 21 29 23 23 24 23 20 29 27 27 24 26 24 29 24 23 24 24 24 21 22 23 22 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 44 45 46 47 48 49 50 51 52 53 54 55 W Ta W W W W W W W W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O P H H 2.5188 2.3035 2.5103 2.5193 2.6243 2.5091 2.6352 2.5094 2.5100 2.5220 2.5178 2.3039 -1.0414 -1.0426 -1.0420 -1.0492 -0.9522 -0.9268 -0.9229 -0.9538 -1.0028 -0.9502 -0.9583 -0.9515 -0.9265 -0.9541 -0.9518 -0.9241 -0.9467 -0.9507 -0.9596 -0.9425 -0.9511 -0.9591 -0.9559 -0.9575 -0.9606 -0.9387 -0.9475 -0.9505 -0.7373 -0.8540 -0.7408 -0.7398 -0.6947 -0.7480 -0.6914 -0.7478 -0.7387 -0.7422 -0.7357 -0.8555 2.4099 0.3014 0.3019 2.0789 2.0928 2.0866 2.0793 2.0771 2.0886 2.0692 2.0884 2.0875 2.0772 2.0793 2.0927 1.8941 1.8921 1.8919 1.8932 1.9344 1.9413 1.9416 1.9337 1.9280 1.9346 1.9331 1.9344 1.9394 1.9337 1.9345 1.9423 1.9472 1.9452 1.9453 1.9472 1.9449 1.9458 1.9452 1.9461 1.9451 1.9486 1.9468 1.9453 1.9757 1.9563 1.9746 1.9754 1.8797 1.9738 1.8794 1.9738 1.9750 1.9749 1.9760 1.9560 2.4924 0.5983 0.5978 6.0847 6.0598 6.0855 6.0839 6.0855 6.0858 6.0811 6.0858 6.0852 6.0826 6.0851 6.0599 5.1069 5.1099 5.1093 5.1152 4.9878 4.9551 4.9497 4.9899 5.0494 4.9845 4.9956 4.9862 4.9559 4.9901 4.9873 4.9512 4.9668 4.9724 4.9834 4.9621 4.9733 4.9814 4.9783 4.9792 4.9846 4.9569 4.9680 4.9720 4.7230 4.8664 4.7280 4.7260 4.7822 4.7363 4.7792 4.7360 4.7254 4.7289 4.7211 4.8683 7.2661 0.1003 0.1003 3.2886 2.5108 3.2887 3.2884 3.1823 3.2876 3.1833 3.2874 3.2884 3.2890 3.2887 2.5104 0.0404 0.0407 0.0408 0.0409 0.0301 0.0304 0.0316 0.0302 0.0254 0.0311 0.0296 0.0309 0.0313 0.0302 0.0300 0.0306 0.0327 0.0330 0.0309 0.0333 0.0329 0.0319 0.0323 0.0322 0.0309 0.0333 0.0328 0.0331 0.0386 0.0313 0.0382 0.0384 0.0329 0.0380 0.0327 0.0380 0.0383 0.0383 0.0387 0.0312 0.8316 0.0000 0.0000 14.0290 14.0331 14.0289 14.0291 14.0308 14.0290 14.0311 14.0290 14.0288 14.0291 14.0290 14.0332 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 53 54 55 W Ta W W W W W W W W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O P H H 2.524678 2.377396 2.523816 2.523334 2.564398 2.521907 2.570015 2.521880 2.522640 2.523157 2.524893 2.377830 -1.026669 -1.032722 -1.032661 -1.027208 -0.943310 -0.925523 -0.911224 -0.941971 -1.002593 -0.938846 -0.945435 -0.940836 -0.921834 -0.942232 -0.943184 -0.919928 -0.910326 -0.920610 -0.935789 -0.911071 -0.920219 -0.930068 -0.923739 -0.928014 -0.936666 -0.902680 -0.912754 -0.920288 -0.759121 -0.908430 -0.763680 -0.762011 -0.511379 -0.773183 -0.508922 -0.772977 -0.760871 -0.764995 -0.757122 -0.910567 2.007185 0.159670 0.158858 1.949189 1.868575 1.954336 1.949914 1.848855 1.951505 1.832504 1.951026 1.953650 1.947402 1.950540 1.868788 -0.749998 -0.769202 -0.767994 -0.746490 -0.710906 -0.689454 -0.665577 -0.706488 -0.766979 -0.707026 -0.703238 -0.706281 -0.673787 -0.706923 -0.709867 -0.684198 -0.706967 -0.742686 -0.772329 -0.709532 -0.741931 -0.768953 -0.746519 -0.767106 -0.772580 -0.701797 -0.710199 -0.742226 -0.644926 -0.811341 -0.647633 -0.646250 -0.654000 -0.659962 -0.648469 -0.659813 -0.643858 -0.650516 -0.642278 -0.814015 1.561628 0.442594 0.439788 2.048121 1.970232 2.052336 2.045591 2.079038 2.050719 2.059693 2.051035 2.050079 2.045092 2.049288 1.971489 -0.815394 -0.820101 -0.820745 -0.808976 -0.784528 -0.784926 -0.765879 -0.784387 -0.853164 -0.780551 -0.783285 -0.780648 -0.770315 -0.784292 -0.784739 -0.779581 -0.763655 -0.780583 -0.803854 -0.761006 -0.780091 -0.797815 -0.788075 -0.794999 -0.805323 -0.751393 -0.765139 -0.778319 -0.611181 -0.788664 -0.615653 -0.613952 -0.644263 -0.628801 -0.647346 -0.628299 -0.611754 -0.617677 -0.608510 -0.791526 1.522329 0.446143 0.438208 -3.97379137 2.67355448 2.24477892 5.28941809 25.69330000 -67.69852020 19.42150104 20.27729114 -16.03965285 -45.97059114 -420.7132 412.8906 -48.7119 -404.4023 -11.4684 -472.4052 May07-2024 12:41:27 Nodes: 1 Procs: 1 May07-2024 12:41:27 Nodes: 1 Procs: 1 0 May07-2024 12:41:28 Nodes: 1 Procs: 1 May07-2024 12:41:28 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May07-2024 12:41:29 Nodes: 1 Procs: 1 May07-2024 12:41:30 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 May07-2024 12:41:31 Nodes: 1 Procs: 1 May07-2024 12:41:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May07-2024 12:41:32 Nodes: 1 Procs: 1 May07-2024 12:41:33 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 May07-2024 12:41:35 Nodes: 1 Procs: 24 *** (NO TITLE) *** -3 -16.71348233 -17.16498855 -16.80332301 -17.31441004 -17.34639838 -17.35325856 -17.35535598 -17.35769768 -17.35862697 -17.35892309 -17.35926878 -17.35937485 -17.35948186 -17.35950534 -17.35954886 -17.35959831 -17.35968642 -17.35970668 -17.35974465 -17.35980844 -17.35983046 -17.35989031 -17.35990399 -17.35993387 -17.35995989 -17.35998845 -17.36001844 -17.36003195 -17.36005922 -17.36007603 -17.36010670 -17.36015455 -17.35506861 -17.35984850 -17.36025416 -17.36034747 -17.36038191 -17.36041067 -17.36043108 -17.36048046 -17.36050323 -17.36052044 -17.36055721 -17.36057263 GEOMETRY CONVERGED