ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 12:57:34 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.78 0.04 12.10 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 Jun21-2024 12:57:34 Nodes: 1 Procs: 1 Jun21-2024 12:57:46 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 12:57:59 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.50 0.06 2.42 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 Jun21-2024 12:57:34 Nodes: 1 Procs: 1 Jun21-2024 12:57:46 Nodes: 1 Procs: 1 0 Jun21-2024 12:57:59 Nodes: 1 Procs: 1 Jun21-2024 12:58:01 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 12:58:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.09 7.33 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun21-2024 12:57:34 Nodes: 1 Procs: 1 Jun21-2024 12:57:46 Nodes: 1 Procs: 1 0 Jun21-2024 12:57:59 Nodes: 1 Procs: 1 Jun21-2024 12:58:01 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 12:58:05 Nodes: 1 Procs: 1 Jun21-2024 12:58:07 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 12:58:17 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.07 5.28 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 Jun21-2024 12:57:34 Nodes: 1 Procs: 1 Jun21-2024 12:57:46 Nodes: 1 Procs: 1 0 Jun21-2024 12:57:59 Nodes: 1 Procs: 1 Jun21-2024 12:58:01 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 12:58:05 Nodes: 1 Procs: 1 Jun21-2024 12:58:07 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 12:58:17 Nodes: 1 Procs: 1 Jun21-2024 12:58:23 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 12:58:25 Hydrogen (TZP) c2-44 c2-44 c2-44 c2-44 c2-44 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.09 3.49 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 Jun21-2024 12:57:34 Nodes: 1 Procs: 1 Jun21-2024 12:57:46 Nodes: 1 Procs: 1 0 Jun21-2024 12:57:59 Nodes: 1 Procs: 1 Jun21-2024 12:58:01 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 12:58:05 Nodes: 1 Procs: 1 Jun21-2024 12:58:07 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 12:58:17 Nodes: 1 Procs: 1 Jun21-2024 12:58:23 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 12:58:25 Nodes: 1 Procs: 1 Jun21-2024 12:58:35 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 12:58:42 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2900.7329000000063 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun21-2024 12:58:35 1 1 Tungsten TZP 4d t21.Ta ADF 2019.304 Jun21-2024 12:58:07 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun21-2024 12:58:23 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun21-2024 12:58:01 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun21-2024 12:57:46 1 1 Hydrogen TZP 1 1 -17.62830510 0.21092987 0.00100000 F 0.08858314 0.00066667 F 0.21092987 0.08858314 0.12197994 0.01000000 F 0.03365023 0.00666667 F Cartesian 2900.7329000000063 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288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 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 -5.316 -5.263 -5.227 -5.194 -5.166 -5.161 -5.158 -5.098 -4.870 -4.865 -1.803 -1.643 -1.416 -1.337 -1.287 -1.162 -1.091 -1.014 -0.953 -0.892 A A A A A A A A A A A A A A A A A A A A 0.00000000062517 0.00043573144158 0.00030823416041 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 74 74 74 74 74 73 73 73 73 73 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 33 1 0.088541 -2.558993 2.589035 -0.096095 -2.588283 -2.566612 2.583573 -2.561768 0.113528 2.549990 2.598196 -0.106364 -2.576394 -0.129057 -2.569767 0.111672 2.566815 -2.628179 -0.129752 2.588713 2.641263 -2.521715 2.533285 0.150080 -2.585021 -2.598729 -0.089138 -2.641150 0.113369 2.608267 2.576813 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3.828947 0.218307 -3.948774 3.823190 -0.255539 -3.802127 -3.893194 0.194028 -3.785958 0.166538 -3.809843 -3.870111 -0.234964 3.873021 3.875170 0.190196 3.796649 3.864087 -0.233131 -3.805904 -0.014384 0.014447 -0.017233 -3.816318 4.365195 -1.056321 1 3 -3 0.088541 -2.558993 2.589035 Rho 0.4361415E+07 3,-3 2 3 -3 -0.096095 -2.588283 -2.566612 Rho 0.4361415E+07 3,-3 3 3 -3 2.583573 -2.561768 0.113528 Rho 0.4361415E+07 3,-3 4 3 -3 2.549990 2.598196 -0.106364 Rho 0.4361415E+07 3,-3 5 3 -3 -2.576394 -0.129057 -2.569767 Rho 0.4361415E+07 3,-3 6 3 -3 0.111672 2.566815 -2.628179 Rho 0.3882646E+07 3,-3 7 3 -3 -0.129752 2.588713 2.641263 Rho 0.3882647E+07 3,-3 8 3 -3 -2.521715 2.533285 0.150080 Rho 0.3882646E+07 3,-3 9 3 -3 -2.585021 -2.598729 -0.089138 Rho 0.3882646E+07 3,-3 10 3 -3 -2.641150 0.113369 2.608267 Rho 0.3882647E+07 3,-3 11 3 -3 2.576813 -0.073626 2.580677 Rho 0.3882646E+07 3,-3 12 3 -3 2.584143 0.136866 -2.597824 Rho 0.3882646E+07 3,-3 13 3 -3 0.956111 -0.959097 0.990785 Rho 0.3190316E+03 3,-3 14 3 -3 -0.986315 -0.988585 -0.997227 Rho 0.3190237E+03 3,-3 15 3 -3 0.976120 0.994442 -0.993542 Rho 0.3190146E+03 3,-3 16 3 -3 -1.024213 1.000599 0.953263 Rho 0.3189700E+03 3,-3 17 3 -3 -3.083312 -1.226419 1.205163 Rho 0.3188172E+03 3,-3 18 3 -3 3.031600 -1.217153 -1.142708 Rho 0.3188603E+03 3,-3 19 3 -3 -3.054374 1.076846 -1.193177 Rho 0.3188815E+03 3,-3 20 3 -3 3.063916 1.201619 1.118974 Rho 0.3188372E+03 3,-3 21 3 -3 1.144122 -1.212335 -3.033697 Rho 0.3188541E+03 3,-3 22 3 -3 1.214657 1.214391 3.115895 Rho 0.3188158E+03 3,-3 23 3 -3 -1.203592 1.093784 -3.082451 Rho 0.3188504E+03 3,-3 24 3 -3 -1.148467 -1.226212 3.082759 Rho 0.3188625E+03 3,-3 25 3 -3 -1.232417 3.019394 -1.196940 Rho 0.3188665E+03 3,-3 26 3 -3 -1.112946 -3.081634 1.196759 Rho 0.3188474E+03 3,-3 27 3 -3 1.181620 3.043298 1.131359 Rho 0.3188570E+03 3,-3 28 3 -3 1.152141 -3.044340 -1.154229 Rho 0.3188529E+03 3,-3 29 3 -3 3.466696 -1.581649 1.479703 Rho 0.3189148E+03 3,-3 30 3 -3 -3.445286 -1.567857 -1.597098 Rho 0.3188935E+03 3,-3 31 3 -3 3.457537 1.570275 -1.505739 Rho 0.3188851E+03 3,-3 32 3 -3 -3.530652 1.529868 1.519865 Rho 0.3188755E+03 3,-3 33 3 -3 1.526448 -1.581097 3.439173 Rho 0.3188931E+03 3,-3 34 3 -3 1.539124 1.524025 -3.539315 Rho 0.3188599E+03 3,-3 35 3 -3 -1.550172 1.528941 3.507446 Rho 0.3188459E+03 3,-3 36 3 -3 -1.508032 -1.568026 -3.447670 Rho 0.3189129E+03 3,-3 37 3 -3 -1.462286 -3.483921 -1.562538 Rho 0.3189116E+03 3,-3 38 3 -3 -1.568166 3.499550 1.521678 Rho 0.3188795E+03 3,-3 39 3 -3 1.520465 -3.427533 1.500761 Rho 0.3189149E+03 3,-3 40 3 -3 1.544334 3.465763 -1.528197 Rho 0.3188845E+03 3,-3 41 3 -3 -0.183769 -3.818618 3.784881 Rho 0.3192143E+03 3,-3 42 3 -3 0.251317 -3.800078 -3.790656 Rho 0.3192201E+03 3,-3 43 3 -3 -0.247991 3.826907 -3.858442 Rho 0.3190985E+03 3,-3 44 3 -3 0.201335 3.881011 3.847275 Rho 0.3190905E+03 3,-3 45 3 -3 3.754103 -3.826176 -0.227942 Rho 0.3192216E+03 3,-3 46 3 -3 3.764252 3.828947 0.218307 Rho 0.3192076E+03 3,-3 47 3 -3 -3.948774 3.823190 -0.255539 Rho 0.3186457E+03 3,-3 48 3 -3 -3.802127 -3.893194 0.194028 Rho 0.3190921E+03 3,-3 49 3 -3 -3.785958 0.166538 -3.809843 Rho 0.3192196E+03 3,-3 50 3 -3 -3.870111 -0.234964 3.873021 Rho 0.3190936E+03 3,-3 51 3 -3 3.875170 0.190196 3.796649 Rho 0.3190953E+03 3,-3 52 3 -3 3.864087 -0.233131 -3.805904 Rho 0.3190951E+03 3,-3 53 3 -3 -0.014384 0.014447 -0.017233 Rho 0.4276085E+05 3,-3 54 3 -3 -3.816318 4.365195 -1.056321 Rho 0.4684948E+00 3,-3 55 3 -1 -1.747732 -1.754637 -0.528017 Rho 0.4051323E-01 |GRAD(Rho)| 0.2634161E-15 GRAD(Rho)x -0.1766991E-15 GRAD(Rho)y -0.1766928E-15 GRAD(Rho)z 0.8333745E-16 Laplacian 0.1733204E+00 (-1/4)Del**2(Rho)) -0.4333011E-01 Diamond 0.7107642E-01 Metallicity 0.1900020E+01 Ellipticity 0.1133359E-01 Gb(Abramov) 0.4260809E-01 Vb(Abramov) -0.4188607E-01 Hb(Abramov) 0.7220221E-03 Ex_ueg -0.1027656E-01 Ec_ueg -0.1897615E-02 Delta_ex -0.1382526E-01 Delta_ec 0.5688688E-02 Delta_et -0.5679401E-01 Pxc 0.5415511E+01 Qxc -0.2430307E+01 3,-1 56 3 +1 -1.714070 -0.557599 0.548616 Rho 0.7725087E-02 |GRAD(Rho)| 0.6711187E-14 GRAD(Rho)x 0.4151543E-14 GRAD(Rho)y -0.3900331E-14 GRAD(Rho)z 0.3548541E-14 Laplacian 0.2867273E-01 (-1/4)Del**2(Rho)) -0.7168184E-02 Diamond 0.6627791E-03 Metallicity 0.7255204E+00 Ellipticity -0.1457569E+01 Gb(Abramov) 0.5645566E-02 Vb(Abramov) -0.4122949E-02 Hb(Abramov) 0.1522617E-02 Ex_ueg -0.1127863E-02 Ec_ueg -0.2660057E-03 Delta_ex -0.1274834E-02 Delta_ec 0.4032562E-03 Delta_et -0.2681163E-02 Pxc 0.4239994E+01 Qxc -0.3161350E+01 3,+1 57 3 -1 -0.080636 3.243703 -3.288948 Rho 0.2084144E+00 |GRAD(Rho)| 0.4369928E-15 GRAD(Rho)x -0.9307876E-16 GRAD(Rho)y 0.2990230E-15 GRAD(Rho)z -0.3047692E-15 Laplacian 0.7861267E+00 (-1/4)Del**2(Rho)) -0.1965317E+00 Diamond 0.2347074E+01 Metallicity 0.6421946E+01 Ellipticity 0.2824179E-02 Gb(Abramov) 0.3413738E+00 Vb(Abramov) -0.4862159E+00 Hb(Abramov) -0.1448421E+00 Ex_ueg -0.9126170E-01 Ec_ueg -0.1228308E-01 Delta_ex -0.9157617E-01 Delta_ec 0.1809424E-01 Delta_et -0.2488330E+00 Pxc 0.7429871E+01 Qxc -0.5061068E+01 3,-1 58 3 -1 -3.261046 3.223282 -0.085999 Rho 0.1340434E+00 |GRAD(Rho)| 0.1997784E-12 GRAD(Rho)x 0.1304228E-12 GRAD(Rho)y -0.1411053E-12 GRAD(Rho)z 0.5468660E-13 Laplacian 0.5320613E+00 (-1/4)Del**2(Rho)) -0.1330153E+00 Diamond 0.9845248E+00 Metallicity 0.4547024E+01 Ellipticity 0.1091645E+00 Gb(Abramov) 0.1894809E+00 Vb(Abramov) -0.2459464E+00 Hb(Abramov) -0.5646554E-01 Ex_ueg -0.5066550E-01 Ec_ueg -0.7430026E-02 Delta_ex -0.5608445E-01 Delta_ec 0.1475551E-01 Delta_et -0.1948888E+00 Pxc 0.6819020E+01 Qxc -0.3800915E+01 3,-1 59 3 +3 -1.946574 -1.998262 -1.954126 Rho 0.1196879E-01 |GRAD(Rho)| 0.1179628E-14 GRAD(Rho)x 0.3605040E-15 GRAD(Rho)y 0.3299805E-15 GRAD(Rho)z -0.1073626E-14 Laplacian 0.5414895E-01 (-1/4)Del**2(Rho)) -0.1353724E-01 Diamond 0.1344395E-02 Metallicity 0.7969673E+00 Ellipticity -0.8869990E+00 Gb(Abramov) 0.1082295E-01 Vb(Abramov) -0.8108657E-02 Hb(Abramov) 0.2714290E-02 Ex_ueg -0.2022021E-02 Ec_ueg -0.4581287E-03 Delta_ex -0.2422735E-02 Delta_ec 0.2795364E-03 Delta_et -0.2420480E-02 Pxc 0.4413653E+01 Qxc -0.8666973E+01 3,+3 60 3 +1 -2.988233 -0.172813 -0.101987 Rho 0.5207526E-02 |GRAD(Rho)| 0.1449735E-17 GRAD(Rho)x 0.3151715E-18 GRAD(Rho)y 0.2807073E-18 GRAD(Rho)z 0.1386939E-17 Laplacian 0.2023288E-01 (-1/4)Del**2(Rho)) -0.5058219E-02 Diamond 0.5112581E-03 Metallicity 0.5328537E+00 Ellipticity -0.8921522E+01 Gb(Abramov) 0.3821361E-02 Vb(Abramov) -0.2584503E-02 Hb(Abramov) 0.1236858E-02 Ex_ueg -0.6666436E-03 Ec_ueg -0.1558544E-03 Delta_ex -0.1025262E-02 Delta_ec 0.6573917E-03 Delta_et -0.3605881E-02 Pxc 0.4277348E+01 Qxc -0.1559590E+01 3,+1 61 3 -1 -2.054538 0.862695 3.072821 Rho 0.1223871E+00 |GRAD(Rho)| 0.7879168E-14 GRAD(Rho)x -0.4719912E-14 GRAD(Rho)y -0.5622822E-14 GRAD(Rho)z -0.2861399E-14 Laplacian 0.4997612E+00 (-1/4)Del**2(Rho)) -0.1249403E+00 Diamond 0.8080160E+00 Metallicity 0.4159838E+01 Ellipticity 0.6982478E-02 Gb(Abramov) 0.1699154E+00 Vb(Abramov) -0.2148906E+00 Hb(Abramov) -0.4497513E-01 Ex_ueg -0.4487788E-01 Ec_ueg -0.6700103E-02 Delta_ex -0.5128076E-01 Delta_ec 0.1366565E-01 Delta_et -0.1768346E+00 Pxc 0.6698089E+01 Qxc -0.3752529E+01 3,-1 62 3 +1 1.682493 0.548399 0.541642 Rho 0.8135205E-02 |GRAD(Rho)| 0.1080614E-10 GRAD(Rho)x -0.3957545E-11 GRAD(Rho)y 0.3113509E-11 GRAD(Rho)z -0.9561202E-11 Laplacian 0.3097919E-01 (-1/4)Del**2(Rho)) -0.7744796E-02 Diamond 0.7675893E-03 Metallicity 0.7319656E+00 Ellipticity -0.1448422E+01 Gb(Abramov) 0.6108018E-02 Vb(Abramov) -0.4471240E-02 Hb(Abramov) 0.1636778E-02 Ex_ueg -0.1208397E-02 Ec_ueg -0.2842321E-03 Delta_ex -0.1395040E-02 Delta_ec 0.4350466E-03 Delta_et -0.2931997E-02 Pxc 0.4251445E+01 Qxc -0.3206645E+01 3,+1 63 3 -1 -2.991156 -0.118282 -0.048611 Rho 0.5208534E-02 |GRAD(Rho)| 0.8753174E-17 GRAD(Rho)x 0.1373706E-17 GRAD(Rho)y -0.8174873E-17 GRAD(Rho)z -0.2811129E-17 Laplacian 0.2005660E-01 (-1/4)Del**2(Rho)) -0.5014150E-02 Diamond 0.5335638E-03 Metallicity 0.5377103E+00 Ellipticity 0.9182333E+01 Gb(Abramov) 0.3792127E-02 Vb(Abramov) -0.2570104E-02 Hb(Abramov) 0.1222023E-02 Ex_ueg -0.6668156E-03 Ec_ueg -0.1558979E-03 Delta_ex -0.1039782E-02 Delta_ec 0.6934693E-03 Delta_et -0.3787690E-02 Pxc 0.4277259E+01 Qxc -0.1499391E+01 3,-1 64 3 +1 -2.995415 0.104940 0.167954 Rho 0.5163540E-02 |GRAD(Rho)| 0.1173829E-16 GRAD(Rho)x 0.9716542E-17 GRAD(Rho)y -0.1370795E-17 GRAD(Rho)z -0.6441822E-17 Laplacian 0.1993148E-01 (-1/4)Del**2(Rho)) -0.4982869E-02 Diamond 0.4480795E-03 Metallicity 0.5333179E+00 Ellipticity -0.2817678E+01 Gb(Abramov) 0.3764822E-02 Vb(Abramov) -0.2546774E-02 Hb(Abramov) 0.1218048E-02 Ex_ueg -0.6591462E-03 Ec_ueg -0.1539574E-03 Delta_ex -0.9640002E-03 Delta_ec 0.5684223E-03 Delta_et -0.3140831E-02 Pxc 0.4281356E+01 Qxc -0.1695922E+01 3,+1 65 3 -1 -3.301472 -0.073005 3.287712 Rho 0.2085071E+00 |GRAD(Rho)| 0.8529891E-15 GRAD(Rho)x 0.7429495E-15 GRAD(Rho)y -0.2517517E-15 GRAD(Rho)z -0.3350185E-15 Laplacian 0.7794658E+00 (-1/4)Del**2(Rho)) -0.1948664E+00 Diamond 0.2333665E+01 Metallicity 0.6481630E+01 Ellipticity 0.3802972E-02 Gb(Abramov) 0.3404197E+00 Vb(Abramov) -0.4859729E+00 Hb(Abramov) -0.1455532E+00 Ex_ueg -0.9131586E-01 Ec_ueg -0.1228933E-01 Delta_ex -0.9084421E-01 Delta_ec 0.1799868E-01 Delta_et -0.2477471E+00 Pxc 0.7430499E+01 Qxc -0.5047271E+01 3,-1 66 3 +3 0.019892 0.005964 -2.343358 Rho 0.4482978E-02 |GRAD(Rho)| 0.4963813E-17 GRAD(Rho)x -0.5285156E-18 GRAD(Rho)y 0.2358116E-17 GRAD(Rho)z -0.4335828E-17 Laplacian 0.1801531E-01 (-1/4)Del**2(Rho)) -0.4503827E-02 Diamond 0.1460389E-03 Metallicity 0.4662110E+00 Ellipticity -0.3279871E+00 Gb(Abramov) 0.3352507E-02 Vb(Abramov) -0.2201187E-02 Hb(Abramov) 0.1151320E-02 Ex_ueg -0.5459346E-03 Ec_ueg -0.1247316E-03 Delta_ex -0.6443820E-03 Delta_ec 0.1516256E-03 Delta_et -0.9666980E-03 Pxc 0.4376876E+01 Qxc -0.4249822E+01 3,+3 67 3 -1 -3.229170 0.029488 -3.238958 Rho 0.2312741E+00 |GRAD(Rho)| 0.6744947E-12 GRAD(Rho)x 0.4613809E-12 GRAD(Rho)y -0.1118648E-12 GRAD(Rho)z 0.4791211E-12 Laplacian 0.8515811E+00 (-1/4)Del**2(Rho)) -0.2128953E+00 Diamond 0.2879617E+01 Metallicity 0.7051241E+01 Ellipticity 0.3154807E-02 Gb(Abramov) 0.3921262E+00 Vb(Abramov) -0.5713571E+00 Hb(Abramov) -0.1792309E+00 Ex_ueg -0.1048466E+00 Ec_ueg -0.1383800E-01 Delta_ex -0.1018950E+00 Delta_ec 0.1900911E-01 Delta_et -0.2628920E+00 Pxc 0.7576716E+01 Qxc -0.5360323E+01 3,-1 68 3 -1 -3.022129 -0.895361 -2.042249 Rho 0.1441811E+00 |GRAD(Rho)| 0.4740962E-15 GRAD(Rho)x -0.1517883E-15 GRAD(Rho)y -0.4390748E-15 GRAD(Rho)z 0.9455598E-16 Laplacian 0.5651659E+00 (-1/4)Del**2(Rho)) -0.1412915E+00 Diamond 0.1086221E+01 Metallicity 0.4833752E+01 Ellipticity 0.2894279E-01 Gb(Abramov) 0.2080223E+00 Vb(Abramov) -0.2747531E+00 Hb(Abramov) -0.6673083E-01 Ex_ueg -0.5583795E-01 Ec_ueg -0.8072066E-02 Delta_ex -0.6004531E-01 Delta_ec 0.1436917E-01 Delta_et -0.1899646E+00 Pxc 0.6917429E+01 Qxc -0.4178761E+01 3,-1 69 3 -1 -1.795480 0.544658 1.743686 Rho 0.3742310E-01 |GRAD(Rho)| 0.4437261E-16 GRAD(Rho)x 0.2529749E-16 GRAD(Rho)y 0.1314532E-16 GRAD(Rho)z -0.3400244E-16 Laplacian 0.1593902E+00 (-1/4)Del**2(Rho)) -0.3984754E-01 Diamond 0.5844685E-01 Metallicity 0.1810164E+01 Ellipticity 0.1918398E-01 Gb(Abramov) 0.3858679E-01 Vb(Abramov) -0.3732604E-01 Hb(Abramov) 0.1260752E-02 Ex_ueg -0.9244952E-02 Ec_ueg -0.1732484E-02 Delta_ex -0.1245704E-01 Delta_ec 0.5206527E-02 Delta_et -0.5085152E-01 Pxc 0.5336242E+01 Qxc -0.2392581E+01 3,-1 70 3 -1 -3.105260 0.863595 2.027523 Rho 0.1236599E+00 |GRAD(Rho)| 0.7742646E-16 GRAD(Rho)x 0.3839431E-16 GRAD(Rho)y -0.5528076E-16 GRAD(Rho)z 0.3827234E-16 Laplacian 0.5004910E+00 (-1/4)Del**2(Rho)) -0.1251227E+00 Diamond 0.8227757E+00 Metallicity 0.4226023E+01 Ellipticity 0.9915264E-02 Gb(Abramov) 0.1715437E+00 Vb(Abramov) -0.2179648E+00 Hb(Abramov) -0.4642101E-01 Ex_ueg -0.4550128E-01 Ec_ueg -0.6779364E-02 Delta_ex -0.5152668E-01 Delta_ec 0.1373214E-01 Delta_et -0.1781517E+00 Pxc 0.6711733E+01 Qxc -0.3752268E+01 3,-1 71 3 +1 -0.548229 1.673479 -0.601611 Rho 0.8639201E-02 |GRAD(Rho)| 0.3431928E-14 GRAD(Rho)x -0.1206795E-14 GRAD(Rho)y -0.1436044E-14 GRAD(Rho)z 0.2873944E-14 Laplacian 0.3265772E-01 (-1/4)Del**2(Rho)) -0.8164430E-02 Diamond 0.8660940E-03 Metallicity 0.7675087E+00 Ellipticity -0.1466297E+01 Gb(Abramov) 0.6487332E-02 Vb(Abramov) -0.4810233E-02 Hb(Abramov) 0.1677098E-02 Ex_ueg -0.1309232E-02 Ec_ueg -0.3067344E-03 Delta_ex -0.1487693E-02 Delta_ec 0.4489104E-03 Delta_et -0.3080502E-02 Pxc 0.4268291E+01 Qxc -0.3314010E+01 3,+1 72 3 +1 -0.559374 -1.696410 0.522969 Rho 0.8012641E-02 |GRAD(Rho)| 0.9714488E-17 GRAD(Rho)x 0.2097391E-17 GRAD(Rho)y -0.5987464E-18 GRAD(Rho)z 0.9466453E-17 Laplacian 0.3062028E-01 (-1/4)Del**2(Rho)) -0.7655069E-02 Diamond 0.7447143E-03 Metallicity 0.7220437E+00 Ellipticity -0.1440497E+01 Gb(Abramov) 0.6024595E-02 Vb(Abramov) -0.4394121E-02 Hb(Abramov) 0.1630474E-02 Ex_ueg -0.1184184E-02 Ec_ueg -0.2787771E-03 Delta_ex -0.1374380E-02 Delta_ec 0.4313678E-03 Delta_et -0.2894706E-02 Pxc 0.4247781E+01 Qxc -0.3186098E+01 3,+1 73 3 +3 -2.361955 -0.054842 0.021433 Rho 0.4402238E-02 |GRAD(Rho)| 0.6860039E-17 GRAD(Rho)x 0.4205937E-18 GRAD(Rho)y -0.2369536E-17 GRAD(Rho)z 0.6424059E-17 Laplacian 0.1761222E-01 (-1/4)Del**2(Rho)) -0.4403054E-02 Diamond 0.1407738E-03 Metallicity 0.4626526E+00 Ellipticity -0.2540836E+00 Gb(Abramov) 0.3274883E-02 Vb(Abramov) -0.2146713E-02 Hb(Abramov) 0.1128171E-02 Ex_ueg -0.5328640E-03 Ec_ueg -0.1212800E-03 Delta_ex -0.6286485E-03 Delta_ec 0.1511472E-03 Delta_et -0.9551000E-03 Pxc 0.4393666E+01 Qxc -0.4159181E+01 3,+3 74 3 -1 -2.817778 0.515147 -1.831719 Rho 0.1606473E+00 |GRAD(Rho)| 0.3236302E-13 GRAD(Rho)x 0.1730956E-13 GRAD(Rho)y 0.1334111E-14 GRAD(Rho)z 0.2731235E-13 Laplacian 0.6490167E+00 (-1/4)Del**2(Rho)) -0.1622542E+00 Diamond 0.1422438E+01 Metallicity 0.5040568E+01 Ellipticity 0.1837394E-01 Gb(Abramov) 0.2444783E+00 Vb(Abramov) -0.3267025E+00 Hb(Abramov) -0.8222415E-01 Ex_ueg -0.6449848E-01 Ec_ueg -0.9128539E-02 Delta_ex -0.7083671E-01 Delta_ec 0.1609350E-01 Delta_et -0.2159649E+00 Pxc 0.7065586E+01 Qxc -0.4401573E+01 3,-1 75 3 +1 -0.535045 0.551052 -1.705625 Rho 0.8356057E-02 |GRAD(Rho)| 0.7886863E-16 GRAD(Rho)x -0.4702748E-16 GRAD(Rho)y -0.6042280E-16 GRAD(Rho)z 0.1891461E-16 Laplacian 0.3174100E-01 (-1/4)Del**2(Rho)) -0.7935250E-02 Diamond 0.8178316E-03 Metallicity 0.7470131E+00 Ellipticity -0.1465287E+01 Gb(Abramov) 0.6278122E-02 Vb(Abramov) -0.4620995E-02 Hb(Abramov) 0.1657127E-02 Ex_ueg -0.1252334E-02 Ec_ueg -0.2940787E-03 Delta_ex -0.1440039E-02 Delta_ec 0.4475359E-03 Delta_et -0.3035590E-02 Pxc 0.4258500E+01 Qxc -0.3217707E+01 3,+1 76 3 +1 -2.010926 -2.066617 -2.024414 Rho 0.1198860E-01 |GRAD(Rho)| 0.6750226E-17 GRAD(Rho)x -0.2058926E-17 GRAD(Rho)y 0.1961513E-17 GRAD(Rho)z -0.6121997E-17 Laplacian 0.5460389E-01 (-1/4)Del**2(Rho)) -0.1365097E-01 Diamond 0.1629570E-02 Metallicity 0.7925077E+00 Ellipticity -0.1084679E+01 Gb(Abramov) 0.1090373E-01 Vb(Abramov) -0.8156491E-02 Hb(Abramov) 0.2747241E-02 Ex_ueg -0.2026482E-02 Ec_ueg -0.4590426E-03 Delta_ex -0.2522600E-02 Delta_ec 0.4217544E-03 Delta_et -0.3382386E-02 Pxc 0.4414585E+01 Qxc -0.5981205E+01 3,+1 77 3 -1 -2.792922 1.761495 -0.562030 Rho 0.1049569E+00 |GRAD(Rho)| 0.3423016E-14 GRAD(Rho)x 0.1547644E-14 GRAD(Rho)y -0.3004568E-14 GRAD(Rho)z -0.5425890E-15 Laplacian 0.4515682E+00 (-1/4)Del**2(Rho)) -0.1128920E+00 Diamond 0.6130548E+00 Metallicity 0.3563759E+01 Ellipticity 0.1282177E-01 Gb(Abramov) 0.1423147E+00 Vb(Abramov) -0.1717373E+00 Hb(Abramov) -0.2942265E-01 Ex_ueg -0.3656508E-01 Ec_ueg -0.5626290E-02 Delta_ex -0.4479039E-01 Delta_ec 0.1296383E-01 Delta_et -0.1632391E+00 Pxc 0.6498967E+01 Qxc -0.3455027E+01 3,-1 78 3 +1 -1.688746 0.517225 -0.558611 Rho 0.8921290E-02 |GRAD(Rho)| 0.5900812E-17 GRAD(Rho)x -0.2059428E-17 GRAD(Rho)y 0.4926999E-17 GRAD(Rho)z 0.2510582E-17 Laplacian 0.3444687E-01 (-1/4)Del**2(Rho)) -0.8611717E-02 Diamond 0.9418935E-03 Metallicity 0.7676729E+00 Ellipticity -0.1440176E+01 Gb(Abramov) 0.6842975E-02 Vb(Abramov) -0.5074233E-02 Hb(Abramov) 0.1768742E-02 Ex_ueg -0.1366539E-02 Ec_ueg -0.3193783E-03 Delta_ex -0.1576695E-02 Delta_ec 0.4638755E-03 Delta_et -0.3217317E-02 Pxc 0.4278746E+01 Qxc -0.3398960E+01 3,+1 79 3 +1 -2.228976 1.020021 1.452408 Rho 0.2538142E-01 |GRAD(Rho)| 0.2732760E-15 GRAD(Rho)x -0.7270388E-16 GRAD(Rho)y -0.1623912E-15 GRAD(Rho)z 0.2074199E-15 Laplacian 0.9541039E-01 (-1/4)Del**2(Rho)) -0.2385260E-01 Diamond 0.1048682E-01 Metallicity 0.1583230E+01 Ellipticity -0.2205679E+01 Gb(Abramov) 0.2219576E-01 Vb(Abramov) -0.2053892E-01 Hb(Abramov) 0.1656840E-02 Ex_ueg -0.5509003E-02 Ec_ueg -0.1107937E-02 Delta_ex -0.5718094E-02 Delta_ec 0.1190589E-02 Delta_et -0.1064325E-01 Pxc 0.4972305E+01 Qxc -0.4802743E+01 3,+1 80 3 -1 -3.027995 -2.045806 -0.886304 Rho 0.1165321E+00 |GRAD(Rho)| 0.3567158E-13 GRAD(Rho)x 0.7550960E-14 GRAD(Rho)y -0.2159477E-13 GRAD(Rho)z 0.2736988E-13 Laplacian 0.4758871E+00 (-1/4)Del**2(Rho)) -0.1189718E+00 Diamond 0.7332981E+00 Metallicity 0.4025797E+01 Ellipticity 0.1600562E-01 Gb(Abramov) 0.1591406E+00 Vb(Abramov) -0.1993093E+00 Hb(Abramov) -0.4016877E-01 Ex_ueg -0.4203837E-01 Ec_ueg -0.6336960E-02 Delta_ex -0.4837776E-01 Delta_ec 0.1335819E-01 Delta_et -0.1716421E+00 Pxc 0.6633838E+01 Qxc -0.3621580E+01 3,-1 81 3 -1 -2.840259 -1.866057 0.598892 Rho 0.1359491E+00 |GRAD(Rho)| 0.2422484E-15 GRAD(Rho)x -0.2071368E-15 GRAD(Rho)y 0.7020209E-16 GRAD(Rho)z 0.1041647E-15 Laplacian 0.5758551E+00 (-1/4)Del**2(Rho)) -0.1439638E+00 Diamond 0.1057921E+01 Metallicity 0.4301240E+01 Ellipticity 0.1450879E-01 Gb(Abramov) 0.1991796E+00 Vb(Abramov) -0.2543955E+00 Hb(Abramov) -0.5521586E-01 Ex_ueg -0.5162817E-01 Ec_ueg -0.7550213E-02 Delta_ex -0.6061218E-01 Delta_ec 0.1539273E-01 Delta_et -0.2028083E+00 Pxc 0.6837975E+01 Qxc -0.3937715E+01 3,-1 82 3 +1 -0.607130 -0.504271 1.700394 Rho 0.7536911E-02 |GRAD(Rho)| 0.1432176E-16 GRAD(Rho)x -0.3498491E-17 GRAD(Rho)y -0.5960838E-17 GRAD(Rho)z 0.1254359E-16 Laplacian 0.2871332E-01 (-1/4)Del**2(Rho)) -0.7178329E-02 Diamond 0.6560106E-03 Metallicity 0.6953211E+00 Ellipticity -0.1441673E+01 Gb(Abramov) 0.5617427E-02 Vb(Abramov) -0.4056524E-02 Hb(Abramov) 0.1560902E-02 Ex_ueg -0.1091381E-02 Ec_ueg -0.2576686E-03 Delta_ex -0.1276406E-02 Delta_ec 0.4174419E-03 Delta_et -0.2746326E-02 Pxc 0.4235598E+01 Qxc -0.3057686E+01 3,+1 83 3 +1 0.153814 -3.004038 0.148400 Rho 0.5531617E-02 |GRAD(Rho)| 0.3980741E-17 GRAD(Rho)x 0.3096551E-17 GRAD(Rho)y 0.8867379E-18 GRAD(Rho)z -0.2339095E-17 Laplacian 0.2243762E-01 (-1/4)Del**2(Rho)) -0.5609405E-02 Diamond 0.5973096E-03 Metallicity 0.5313613E+00 Ellipticity -0.3760906E+01 Gb(Abramov) 0.4236374E-02 Vb(Abramov) -0.2863342E-02 Hb(Abramov) 0.1373032E-02 Ex_ueg -0.7225278E-03 Ec_ueg -0.1698617E-03 Delta_ex -0.1136010E-02 Delta_ec 0.7035161E-03 Delta_et -0.3939480E-02 Pxc 0.4253624E+01 Qxc -0.1614761E+01 3,+1 84 3 -1 -1.984459 -3.054450 -0.866040 Rho 0.1068962E+00 |GRAD(Rho)| 0.2648387E-15 GRAD(Rho)x -0.1994864E-15 GRAD(Rho)y 0.5640562E-16 GRAD(Rho)z 0.1648123E-15 Laplacian 0.4420428E+00 (-1/4)Del**2(Rho)) -0.1105107E+00 Diamond 0.6138530E+00 Metallicity 0.3753349E+01 Ellipticity 0.7078831E-02 Gb(Abramov) 0.1428047E+00 Vb(Abramov) -0.1750987E+00 Hb(Abramov) -0.3229398E-01 Ex_ueg -0.3746863E-01 Ec_ueg -0.5744657E-02 Delta_ex -0.4403786E-01 Delta_ec 0.1264877E-01 Delta_et -0.1598621E+00 Pxc 0.6522344E+01 Qxc -0.3481593E+01 3,-1 85 3 -1 -1.803011 -2.843156 0.592190 Rho 0.1148908E+00 |GRAD(Rho)| 0.7132042E-14 GRAD(Rho)x -0.5730320E-14 GRAD(Rho)y 0.1866590E-14 GRAD(Rho)z -0.3813830E-14 Laplacian 0.4942307E+00 (-1/4)Del**2(Rho)) -0.1235577E+00 Diamond 0.7510604E+00 Metallicity 0.3785808E+01 Ellipticity 0.1769320E-01 Gb(Abramov) 0.1603327E+00 Vb(Abramov) -0.1971078E+00 Hb(Abramov) -0.3677505E-01 Ex_ueg -0.4125075E-01 Ec_ueg -0.6235592E-02 Delta_ex -0.5010916E-01 Delta_ec 0.1397830E-01 Delta_et -0.1792243E+00 Pxc 0.6615370E+01 Qxc -0.3584781E+01 3,-1 86 3 +1 -1.790187 1.721551 -1.802454 Rho 0.1167699E-01 |GRAD(Rho)| 0.4283339E-16 GRAD(Rho)x -0.3353244E-16 GRAD(Rho)y -0.2157317E-16 GRAD(Rho)z 0.1564841E-16 Laplacian 0.5551480E-01 (-1/4)Del**2(Rho)) -0.1387870E-01 Diamond 0.2054097E-02 Metallicity 0.7460288E+00 Ellipticity -0.1257210E+01 Gb(Abramov) 0.1097812E-01 Vb(Abramov) -0.8077537E-02 Hb(Abramov) 0.2900582E-02 Ex_ueg -0.1956558E-02 Ec_ueg -0.4446781E-03 Delta_ex -0.2682665E-02 Delta_ec 0.6731204E-03 Delta_et -0.5050659E-02 Pxc 0.4399942E+01 Qxc -0.3985416E+01 3,+1 87 3 +1 0.516685 0.611931 1.706885 Rho 0.7288563E-02 |GRAD(Rho)| 0.6734471E-17 GRAD(Rho)x 0.4726527E-17 GRAD(Rho)y -0.4036120E-17 GRAD(Rho)z 0.2592831E-17 Laplacian 0.2685002E-01 (-1/4)Del**2(Rho)) -0.6712505E-02 Diamond 0.5705849E-03 Metallicity 0.7031885E+00 Ellipticity -0.1435834E+01 Gb(Abramov) 0.5261696E-02 Vb(Abramov) -0.3810887E-02 Hb(Abramov) 0.1450809E-02 Ex_ueg -0.1043697E-02 Ec_ueg -0.2466906E-03 Delta_ex -0.1174961E-02 Delta_ec 0.3747658E-03 Delta_et -0.2456856E-02 Pxc 0.4230793E+01 Qxc -0.3135188E+01 3,+1 88 3 +1 -1.423087 -2.209024 -1.044302 Rho 0.2533247E-01 |GRAD(Rho)| 0.4323211E-16 GRAD(Rho)x 0.7081159E-17 GRAD(Rho)y -0.4085866E-16 GRAD(Rho)z -0.1222467E-16 Laplacian 0.9648438E-01 (-1/4)Del**2(Rho)) -0.2412110E-01 Diamond 0.1143215E-01 Metallicity 0.1560578E+01 Ellipticity -0.2545405E+01 Gb(Abramov) 0.2235454E-01 Vb(Abramov) -0.2058798E-01 Hb(Abramov) 0.1766558E-02 Ex_ueg -0.5494841E-02 Ec_ueg -0.1105468E-02 Delta_ex -0.5870655E-02 Delta_ec 0.1367005E-02 Delta_et -0.1216597E-01 Pxc 0.4970601E+01 Qxc -0.4294538E+01 3,+1 89 3 +1 2.980024 0.148671 -0.176298 Rho 0.5167521E-02 |GRAD(Rho)| 0.2159357E-11 GRAD(Rho)x -0.2719339E-12 GRAD(Rho)y 0.2116080E-11 GRAD(Rho)z 0.3332883E-12 Laplacian 0.2043764E-01 (-1/4)Del**2(Rho)) -0.5109410E-02 Diamond 0.4733172E-03 Metallicity 0.5207783E+00 Ellipticity -0.2854860E+01 Gb(Abramov) 0.3849752E-02 Vb(Abramov) -0.2590093E-02 Hb(Abramov) 0.1259658E-02 Ex_ueg -0.6598240E-03 Ec_ueg -0.1541290E-03 Delta_ex -0.1000526E-02 Delta_ec 0.6040892E-03 Delta_et -0.3329231E-02 Pxc 0.4280984E+01 Qxc -0.1656255E+01 3,+1 90 3 +1 0.103816 2.951160 -0.159471 Rho 0.4922039E-02 |GRAD(Rho)| 0.1243234E-14 GRAD(Rho)x 0.8568363E-15 GRAD(Rho)y 0.6616958E-16 GRAD(Rho)z -0.8983788E-15 Laplacian 0.1942722E-01 (-1/4)Del**2(Rho)) -0.4856805E-02 Diamond 0.4291548E-03 Metallicity 0.5051778E+00 Ellipticity -0.3087118E+01 Gb(Abramov) 0.3646795E-02 Vb(Abramov) -0.2436785E-02 Hb(Abramov) 0.1210010E-02 Ex_ueg -0.6183653E-03 Ec_ueg -0.1435594E-03 Delta_ex -0.9493085E-03 Delta_ec 0.5873366E-03 Delta_et -0.3184596E-02 Pxc 0.4307384E+01 Qxc -0.1616294E+01 3,+1 91 3 -1 -1.830378 2.780723 -0.568203 Rho 0.1451402E+00 |GRAD(Rho)| 0.3089026E-15 GRAD(Rho)x -0.2986435E-15 GRAD(Rho)y 0.1143156E-16 GRAD(Rho)z 0.7811677E-16 Laplacian 0.6210817E+00 (-1/4)Del**2(Rho)) -0.1552704E+00 Diamond 0.1225556E+01 Metallicity 0.4447447E+01 Ellipticity 0.2184529E-01 Gb(Abramov) 0.2186064E+00 Vb(Abramov) -0.2819424E+00 Hb(Abramov) -0.6333601E-01 Ex_ueg -0.5633376E-01 Ec_ueg -0.8133147E-02 Delta_ex -0.6632564E-01 Delta_ec 0.1617983E-01 Delta_et -0.2150245E+00 Pxc 0.6926441E+01 Qxc -0.4099279E+01 3,-1 92 3 +3 -1.140030 -1.107407 1.138210 Rho 0.4662566E-02 |GRAD(Rho)| 0.7959009E-17 GRAD(Rho)x 0.2077052E-17 GRAD(Rho)y -0.3194883E-17 GRAD(Rho)z 0.6987445E-17 Laplacian 0.1732410E-01 (-1/4)Del**2(Rho)) -0.4331026E-02 Diamond 0.1108195E-03 Metallicity 0.5176117E+00 Ellipticity -0.1876253E+00 Gb(Abramov) 0.3260982E-02 Vb(Abramov) -0.2190938E-02 Hb(Abramov) 0.1070044E-02 Ex_ueg -0.5752877E-03 Ec_ueg -0.1324207E-03 Delta_ex -0.5879555E-03 Delta_ec 0.7790619E-04 Delta_et -0.6047034E-03 Pxc 0.4344395E+01 Qxc -0.7546967E+01 3,+3 93 3 +1 -1.777520 -1.809533 1.799806 Rho 0.1143487E-01 |GRAD(Rho)| 0.1643776E-13 GRAD(Rho)x 0.1414354E-13 GRAD(Rho)y -0.5707832E-14 GRAD(Rho)z 0.6130332E-14 Laplacian 0.5384865E-01 (-1/4)Del**2(Rho)) -0.1346216E-01 Diamond 0.1934200E-02 Metallicity 0.7427172E+00 Ellipticity -0.1257958E+01 Gb(Abramov) 0.1064120E-01 Vb(Abramov) -0.7820247E-02 Hb(Abramov) 0.2820957E-02 Ex_ueg -0.1902654E-02 Ec_ueg -0.4335437E-03 Delta_ex -0.2587162E-02 Delta_ec 0.6519406E-03 Delta_et -0.4868031E-02 Pxc 0.4388610E+01 Qxc -0.3968401E+01 3,+1 94 3 +1 -2.187565 -1.455821 -1.062199 Rho 0.2583738E-01 |GRAD(Rho)| 0.3128368E-13 GRAD(Rho)x -0.1221880E-13 GRAD(Rho)y -0.2274917E-13 GRAD(Rho)z 0.1765914E-13 Laplacian 0.9908867E-01 (-1/4)Del**2(Rho)) -0.2477217E-01 Diamond 0.1227377E-01 Metallicity 0.1570375E+01 Ellipticity -0.2685340E+01 Gb(Abramov) 0.2299838E-01 Vb(Abramov) -0.2122459E-01 Hb(Abramov) 0.1773791E-02 Ex_ueg -0.5641350E-02 Ec_ueg -0.1130967E-02 Delta_ex -0.6083504E-02 Delta_ec 0.1442566E-02 Delta_et -0.1288631E-01 Pxc 0.4988078E+01 Qxc -0.4217141E+01 3,+1 95 3 -1 -2.005580 3.035980 0.881419 Rho 0.1478742E+00 |GRAD(Rho)| 0.3703675E-14 GRAD(Rho)x 0.2923809E-14 GRAD(Rho)y -0.9866375E-15 GRAD(Rho)z 0.2048193E-14 Laplacian 0.5845795E+00 (-1/4)Del**2(Rho)) -0.1461449E+00 Diamond 0.1183555E+01 Metallicity 0.4874430E+01 Ellipticity 0.1919835E-01 Gb(Abramov) 0.2161587E+00 Vb(Abramov) -0.2861726E+00 Hb(Abramov) -0.7001386E-01 Ex_ueg -0.5775307E-01 Ec_ueg -0.8307574E-02 Delta_ex -0.6275197E-01 Delta_ec 0.1522984E-01 Delta_et -0.2031132E+00 Pxc 0.6951858E+01 Qxc -0.4120330E+01 3,-1 96 3 +1 -0.091475 0.101987 3.025026 Rho 0.4587808E-02 |GRAD(Rho)| 0.2745426E-17 GRAD(Rho)x -0.1424985E-17 GRAD(Rho)y -0.2144250E-17 GRAD(Rho)z -0.9534006E-18 Laplacian 0.1755986E-01 (-1/4)Del**2(Rho)) -0.4389965E-02 Diamond 0.3635130E-03 Metallicity 0.4970889E+00 Ellipticity -0.3589810E+01 Gb(Abramov) 0.3290344E-02 Vb(Abramov) -0.2190723E-02 Hb(Abramov) 0.1099621E-02 Ex_ueg -0.5630219E-03 Ec_ueg -0.1292178E-03 Delta_ex -0.8574565E-03 Delta_ec 0.5505828E-03 Delta_et -0.2914756E-02 Pxc 0.4357154E+01 Qxc -0.1557362E+01 3,+1 97 3 -1 -1.851508 -0.594601 2.847977 Rho 0.1015899E+00 |GRAD(Rho)| 0.5317532E-16 GRAD(Rho)x 0.4666135E-16 GRAD(Rho)y -0.1739467E-16 GRAD(Rho)z 0.1864828E-16 Laplacian 0.4390042E+00 (-1/4)Del**2(Rho)) -0.1097510E+00 Diamond 0.5779259E+00 Metallicity 0.3471857E+01 Ellipticity 0.2148370E-01 Gb(Abramov) 0.1366740E+00 Vb(Abramov) -0.1635970E+00 Hb(Abramov) -0.2692297E-01 Ex_ueg -0.3500947E-01 Ec_ueg -0.5421461E-02 Delta_ex -0.4329879E-01 Delta_ec 0.1284007E-01 Delta_et -0.1608023E+00 Pxc 0.6457572E+01 Qxc -0.3372160E+01 3,-1 98 3 -1 -1.746151 -0.548002 -1.748745 Rho 0.4649655E-01 |GRAD(Rho)| 0.1020922E-15 GRAD(Rho)x 0.6094741E-16 GRAD(Rho)y -0.5366462E-16 GRAD(Rho)z 0.6187364E-16 Laplacian 0.1876817E+00 (-1/4)Del**2(Rho)) -0.4692043E-01 Diamond 0.8571831E-01 Metallicity 0.2207458E+01 Ellipticity 0.1621924E-01 Gb(Abramov) 0.4854276E-01 Vb(Abramov) -0.5016509E-01 Hb(Abramov) -0.1622333E-02 Ex_ueg -0.1234846E-01 Ec_ueg -0.2222151E-02 Delta_ex -0.1514669E-01 Delta_ec 0.5554836E-02 Delta_et -0.5745884E-01 Pxc 0.5556983E+01 Qxc -0.2726757E+01 3,-1 99 3 -1 -1.840067 0.522654 -2.829714 Rho 0.1530663E+00 |GRAD(Rho)| 0.8374969E-15 GRAD(Rho)x -0.3711766E-15 GRAD(Rho)y -0.6904470E-15 GRAD(Rho)z 0.2948081E-15 Laplacian 0.6344225E+00 (-1/4)Del**2(Rho)) -0.1586056E+00 Diamond 0.1304724E+01 Metallicity 0.4757373E+01 Ellipticity 0.1026437E-01 Gb(Abramov) 0.2314948E+00 Vb(Abramov) -0.3043839E+00 Hb(Abramov) -0.7288914E-01 Ex_ueg -0.6047248E-01 Ec_ueg -0.8640089E-02 Delta_ex -0.6834938E-01 Delta_ec 0.1579832E-01 Delta_et -0.2103756E+00 Pxc 0.6999058E+01 Qxc -0.4326371E+01 3,-1 100 3 +3 -1.117984 1.105455 -1.175444 Rho 0.5155111E-02 |GRAD(Rho)| 0.1384134E-15 GRAD(Rho)x 0.1355239E-15 GRAD(Rho)y -0.1815702E-16 GRAD(Rho)z 0.2149077E-16 Laplacian 0.1937306E-01 (-1/4)Del**2(Rho)) -0.4843264E-02 Diamond 0.1359331E-03 Metallicity 0.5471987E+00 Ellipticity -0.1497881E+00 Gb(Abramov) 0.3670548E-02 Vb(Abramov) -0.2497831E-02 Hb(Abramov) 0.1172717E-02 Ex_ueg -0.6577120E-03 Ec_ueg -0.1535940E-03 Delta_ex -0.6704511E-03 Delta_ec 0.7715990E-04 Delta_et -0.6375982E-03 Pxc 0.4282148E+01 Qxc -0.8689112E+01 3,+3 101 3 +1 -1.383424 1.133480 2.195422 Rho 0.2394648E-01 |GRAD(Rho)| 0.1043020E-14 GRAD(Rho)x -0.7450325E-15 GRAD(Rho)y -0.4591365E-15 GRAD(Rho)z 0.5674599E-15 Laplacian 0.8896567E-01 (-1/4)Del**2(Rho)) -0.2224142E-01 Diamond 0.1159722E-01 Metallicity 0.1540968E+01 Ellipticity -0.8155210E+01 Gb(Abramov) 0.2053983E-01 Vb(Abramov) -0.1883824E-01 Hb(Abramov) 0.1701588E-02 Ex_ueg -0.5097696E-02 Ec_ueg -0.1035819E-02 Delta_ex -0.5542584E-02 Delta_ec 0.1639261E-02 Delta_et -0.1428407E-01 Pxc 0.4921418E+01 Qxc -0.3381148E+01 3,+1 102 3 +3 -0.048439 0.065158 2.379190 Rho 0.3887057E-02 |GRAD(Rho)| 0.8380082E-17 GRAD(Rho)x -0.2761152E-17 GRAD(Rho)y -0.6005687E-17 GRAD(Rho)z -0.5151071E-17 Laplacian 0.1526289E-01 (-1/4)Del**2(Rho)) -0.3815724E-02 Diamond 0.1037042E-03 Metallicity 0.4338549E+00 Ellipticity -0.2360585E+00 Gb(Abramov) 0.2819728E-02 Vb(Abramov) -0.1823731E-02 Hb(Abramov) 0.9959962E-03 Ex_ueg -0.4513842E-03 Ec_ueg -0.9933730E-04 Delta_ex -0.5285792E-03 Delta_ec 0.1325144E-03 Delta_et -0.8106970E-03 Pxc 0.4543954E+01 Qxc -0.3988844E+01 3,+3 103 3 -1 -1.739181 1.728747 0.536767 Rho 0.5803500E-01 |GRAD(Rho)| 0.1525803E-15 GRAD(Rho)x -0.8237565E-16 GRAD(Rho)y 0.1185372E-15 GRAD(Rho)z -0.4943623E-16 Laplacian 0.2503142E+00 (-1/4)Del**2(Rho)) -0.6257854E-01 Diamond 0.1648282E+00 Metallicity 0.2394846E+01 Ellipticity 0.1746980E-01 Gb(Abramov) 0.6669669E-01 Vb(Abramov) -0.7081484E-01 Hb(Abramov) -0.4118151E-02 Ex_ueg -0.1659479E-01 Ec_ueg -0.2863608E-02 Delta_ex -0.2172970E-01 Delta_ec 0.8045467E-02 Delta_et -0.8841389E-01 Pxc 0.5795062E+01 Qxc -0.2700862E+01 3,-1 104 3 -1 -0.824400 -3.050175 -2.020761 Rho 0.1533192E+00 |GRAD(Rho)| 0.2231847E-15 GRAD(Rho)x 0.2190088E-15 GRAD(Rho)y -0.3179423E-16 GRAD(Rho)z -0.2890754E-16 Laplacian 0.6024341E+00 (-1/4)Del**2(Rho)) -0.1506085E+00 Diamond 0.1245728E+01 Metallicity 0.5023789E+01 Ellipticity 0.3273815E-01 Gb(Abramov) 0.2265099E+00 Vb(Abramov) -0.3024113E+00 Hb(Abramov) -0.7590141E-01 Ex_ueg -0.6060577E-01 Ec_ueg -0.8656331E-02 Delta_ex -0.6497152E-01 Delta_ec 0.1507033E-01 Delta_et -0.2009057E+00 Pxc 0.7001323E+01 Qxc -0.4311222E+01 3,-1 105 3 +1 -0.176783 -3.007398 -0.172021 Rho 0.5473360E-02 |GRAD(Rho)| 0.5163111E-17 GRAD(Rho)x -0.3044203E-17 GRAD(Rho)y -0.1703344E-17 GRAD(Rho)z 0.3806463E-17 Laplacian 0.2203492E-01 (-1/4)Del**2(Rho)) -0.5508730E-02 Diamond 0.5318775E-03 Metallicity 0.5316082E+00 Ellipticity -0.2409570E+01 Gb(Abramov) 0.4160568E-02 Vb(Abramov) -0.2812405E-02 Hb(Abramov) 0.1348162E-02 Ex_ueg -0.7123997E-03 Ec_ueg -0.1673399E-03 Delta_ex -0.1075105E-02 Delta_ec 0.6226801E-03 Delta_et -0.3503170E-02 Pxc 0.4257201E+01 Qxc -0.1726576E+01 3,+1 106 3 +3 -0.008240 -2.314641 0.001731 Rho 0.4443065E-02 |GRAD(Rho)| 0.3332329E-15 GRAD(Rho)x 0.1632423E-15 GRAD(Rho)y 0.2381196E-15 GRAD(Rho)z 0.1664185E-15 Laplacian 0.1806952E-01 (-1/4)Del**2(Rho)) -0.4517379E-02 Diamond 0.1419199E-03 Metallicity 0.4579356E+00 Ellipticity -0.3170278E+00 Gb(Abramov) 0.3356364E-02 Vb(Abramov) -0.2195349E-02 Hb(Abramov) 0.1161015E-02 Ex_ueg -0.5394634E-03 Ec_ueg -0.1230249E-03 Delta_ex -0.6417980E-03 Delta_ec 0.1466676E-03 Delta_et -0.9414177E-03 Pxc 0.4384993E+01 Qxc -0.4375868E+01 3,+3 107 3 -1 -0.883688 2.019025 3.089161 Rho 0.1317557E+00 |GRAD(Rho)| 0.5646080E-15 GRAD(Rho)x -0.4368522E-15 GRAD(Rho)y -0.3473106E-15 GRAD(Rho)z 0.8554355E-16 Laplacian 0.5283730E+00 (-1/4)Del**2(Rho)) -0.1320933E+00 Diamond 0.9357860E+00 Metallicity 0.4449266E+01 Ellipticity 0.6767908E-02 Gb(Abramov) 0.1860152E+00 Vb(Abramov) -0.2399371E+00 Hb(Abramov) -0.5392192E-01 Ex_ueg -0.4951587E-01 Ec_ueg -0.7286059E-02 Delta_ex -0.5520810E-01 Delta_ec 0.1424929E-01 Delta_et -0.1868191E+00 Pxc 0.6795975E+01 Qxc -0.3874447E+01 3,-1 108 3 -1 -0.531026 -1.753353 -1.746985 Rho 0.4472601E-01 |GRAD(Rho)| 0.1509539E-15 GRAD(Rho)x 0.7750203E-16 GRAD(Rho)y -0.8093061E-16 GRAD(Rho)z -0.1011472E-15 Laplacian 0.1805319E+00 (-1/4)Del**2(Rho)) -0.4513296E-01 Diamond 0.7790241E-01 Metallicity 0.2151095E+01 Ellipticity 0.1816077E-01 Gb(Abramov) 0.4626953E-01 Vb(Abramov) -0.4740609E-01 Hb(Abramov) -0.1136562E-02 Ex_ueg -0.1172552E-01 Ec_ueg -0.2125491E-02 Delta_ex -0.1441312E-01 Delta_ec 0.5316958E-02 Delta_et -0.5443139E-01 Pxc 0.5516616E+01 Qxc -0.2710784E+01 3,-1 109 3 -1 -0.846609 -2.035611 -3.018037 Rho 0.1402754E+00 |GRAD(Rho)| 0.3125112E-13 GRAD(Rho)x 0.2346998E-13 GRAD(Rho)y -0.1678242E-13 GRAD(Rho)z 0.1200596E-13 Laplacian 0.5447705E+00 (-1/4)Del**2(Rho)) -0.1361926E+00 Diamond 0.1019097E+01 Metallicity 0.4790366E+01 Ellipticity 0.4265877E-01 Gb(Abramov) 0.1995305E+00 Vb(Abramov) -0.2628684E+00 Hb(Abramov) -0.6333787E-01 Ex_ueg -0.5383032E-01 Ec_ueg -0.7823934E-02 Delta_ex -0.5755707E-01 Delta_ec 0.1406201E-01 Delta_et -0.1854065E+00 Pxc 0.6880212E+01 Qxc -0.4093090E+01 3,-1 110 3 +1 -1.252138 -1.234898 -2.199445 Rho 0.2773932E-01 |GRAD(Rho)| 0.1758026E-15 GRAD(Rho)x -0.6243954E-16 GRAD(Rho)y -0.1553629E-15 GRAD(Rho)z -0.5357450E-16 Laplacian 0.1131928E+00 (-1/4)Del**2(Rho)) -0.2829821E-01 Diamond 0.1870485E-01 Metallicity 0.1547464E+01 Ellipticity -0.8209412E+01 Gb(Abramov) 0.2616388E-01 Vb(Abramov) -0.2402956E-01 Hb(Abramov) 0.2134324E-02 Ex_ueg -0.6201730E-02 Ec_ueg -0.1227600E-02 Delta_ex -0.7392187E-02 Delta_ec 0.2194476E-02 Delta_et -0.1982344E-01 Pxc 0.5051916E+01 Qxc -0.3368544E+01 3,+1 111 3 +1 -1.025094 2.201901 1.481078 Rho 0.2504657E-01 |GRAD(Rho)| 0.2331023E-16 GRAD(Rho)x 0.7674754E-17 GRAD(Rho)y -0.1611873E-16 GRAD(Rho)z 0.1498837E-16 Laplacian 0.9363555E-01 (-1/4)Del**2(Rho)) -0.2340889E-01 Diamond 0.9650518E-02 Metallicity 0.1577925E+01 Ellipticity -0.2029136E+01 Gb(Abramov) 0.2176217E-01 Vb(Abramov) -0.2011545E-01 Hb(Abramov) 0.1646718E-02 Ex_ueg -0.5412312E-02 Ec_ueg -0.1091059E-02 Delta_ex -0.5541878E-02 Delta_ec 0.1080722E-02 Delta_et -0.9661273E-02 Pxc 0.4960603E+01 Qxc -0.5127943E+01 3,+1 112 3 -1 -0.889249 3.061825 2.043879 Rho 0.1107724E+00 |GRAD(Rho)| 0.2159445E-15 GRAD(Rho)x -0.1015220E-15 GRAD(Rho)y 0.7425430E-16 GRAD(Rho)z -0.1755323E-15 Laplacian 0.4578514E+00 (-1/4)Del**2(Rho)) -0.1144628E+00 Diamond 0.6599908E+00 Metallicity 0.3845399E+01 Ellipticity 0.5857458E-02 Gb(Abramov) 0.1496678E+00 Vb(Abramov) -0.1848727E+00 Hb(Abramov) -0.3520494E-01 Ex_ueg -0.3929108E-01 Ec_ueg -0.5982105E-02 Delta_ex -0.4593814E-01 Delta_ec 0.1289946E-01 Delta_et -0.1640275E+00 Pxc 0.6568103E+01 Qxc -0.3561246E+01 3,-1 113 3 -1 -0.599694 2.799384 -1.869402 Rho 0.1159677E+00 |GRAD(Rho)| 0.8262761E-16 GRAD(Rho)x -0.4804371E-16 GRAD(Rho)y -0.6653613E-16 GRAD(Rho)z -0.9595189E-17 Laplacian 0.4915636E+00 (-1/4)Del**2(Rho)) -0.1228909E+00 Diamond 0.7568370E+00 Metallicity 0.3866001E+01 Ellipticity 0.2422156E-02 Gb(Abramov) 0.1611100E+00 Vb(Abramov) -0.1993291E+00 Hb(Abramov) -0.3821908E-01 Ex_ueg -0.4176712E-01 Ec_ueg -0.6302082E-02 Delta_ex -0.4996763E-01 Delta_ec 0.1390856E-01 Delta_et -0.1786949E+00 Pxc 0.6627511E+01 Qxc -0.3592581E+01 3,-1 114 3 +3 -0.005130 2.374263 -0.034070 Rho 0.4356124E-02 |GRAD(Rho)| 0.1790554E-16 GRAD(Rho)x -0.8852824E-17 GRAD(Rho)y -0.1215674E-16 GRAD(Rho)z 0.9718523E-17 Laplacian 0.1751627E-01 (-1/4)Del**2(Rho)) -0.4379068E-02 Diamond 0.1475563E-03 Metallicity 0.4570936E+00 Ellipticity -0.2624623E+00 Gb(Abramov) 0.3252986E-02 Vb(Abramov) -0.2126904E-02 Hb(Abramov) 0.1126082E-02 Ex_ueg -0.5254346E-03 Ec_ueg -0.1193103E-03 Delta_ex -0.6341759E-03 Delta_ec 0.1693245E-03 Delta_et -0.1038761E-02 Pxc 0.4403934E+01 Qxc -0.3745330E+01 3,+3 115 3 +1 2.050683 -2.029004 2.029269 Rho 0.1194431E-01 |GRAD(Rho)| 0.4797988E-17 GRAD(Rho)x -0.3299445E-17 GRAD(Rho)y -0.1490592E-18 GRAD(Rho)z -0.3480249E-17 Laplacian 0.5457822E-01 (-1/4)Del**2(Rho)) -0.1364455E-01 Diamond 0.1698721E-02 Metallicity 0.7880048E+00 Ellipticity -0.1124810E+01 Gb(Abramov) 0.1088837E-01 Vb(Abramov) -0.8132177E-02 Hb(Abramov) 0.2756189E-02 Ex_ueg -0.2016507E-02 Ec_ueg -0.4569987E-03 Delta_ex -0.2541547E-02 Delta_ec 0.4621744E-03 Delta_et -0.3651300E-02 Pxc 0.4412501E+01 Qxc -0.5499109E+01 3,+1 116 3 -1 -0.482466 -0.467918 -0.490080 Rho 0.1828606E+00 |GRAD(Rho)| 0.5080815E-15 GRAD(Rho)x -0.3087808E-15 GRAD(Rho)y 0.3955170E-15 GRAD(Rho)z 0.7979728E-16 Laplacian 0.4875389E+00 (-1/4)Del**2(Rho)) -0.1218847E+00 Diamond 0.1278501E+01 Metallicity 0.8326659E+01 Ellipticity 0.3836274E-02 Gb(Abramov) 0.2504053E+00 Vb(Abramov) -0.3789258E+00 Hb(Abramov) -0.1285205E+00 Ex_ueg -0.7665584E-01 Ec_ueg -0.1057930E-01 Delta_ex -0.5519676E-01 Delta_ec 0.1210116E-01 Delta_et -0.1660471E+00 Pxc 0.7245830E+01 Qxc -0.4561280E+01 3,-1 117 3 +1 1.672709 -0.537298 -0.556769 Rho 0.8099481E-02 |GRAD(Rho)| 0.1208829E-16 GRAD(Rho)x 0.8500207E-17 GRAD(Rho)y -0.5470033E-17 GRAD(Rho)z 0.6629623E-17 Laplacian 0.3081947E-01 (-1/4)Del**2(Rho)) -0.7704868E-02 Diamond 0.7738730E-03 Metallicity 0.7303819E+00 Ellipticity -0.1469614E+01 Gb(Abramov) 0.6074494E-02 Vb(Abramov) -0.4444121E-02 Hb(Abramov) 0.1630373E-02 Ex_ueg -0.1201327E-02 Ec_ueg -0.2826415E-03 Delta_ex -0.1393536E-02 Delta_ec 0.4457043E-03 Delta_et -0.2989728E-02 Pxc 0.4250358E+01 Qxc -0.3126592E+01 3,+1 118 3 +3 1.121217 -1.116859 -1.115928 Rho 0.4912718E-02 |GRAD(Rho)| 0.1636927E-14 GRAD(Rho)x 0.4495633E-15 GRAD(Rho)y -0.5648438E-15 GRAD(Rho)z -0.1469141E-14 Laplacian 0.1882711E-01 (-1/4)Del**2(Rho)) -0.4706777E-02 Diamond 0.1297995E-03 Metallicity 0.5196360E+00 Ellipticity -0.1276840E+00 Gb(Abramov) 0.3545487E-02 Vb(Abramov) -0.2384196E-02 Hb(Abramov) 0.1161291E-02 Ex_ueg -0.6168045E-03 Ec_ueg -0.1431586E-03 Delta_ex -0.6486777E-03 Delta_ec 0.8540758E-04 Delta_et -0.6669383E-03 Pxc 0.4308538E+01 Qxc -0.7595084E+01 3,+3 119 3 +1 2.187357 1.096017 -1.401694 Rho 0.2611720E-01 |GRAD(Rho)| 0.1128702E-13 GRAD(Rho)x 0.4756146E-14 GRAD(Rho)y -0.5776257E-14 GRAD(Rho)z -0.8450485E-14 Laplacian 0.1006893E+00 (-1/4)Del**2(Rho)) -0.2517231E-01 Diamond 0.1348612E-01 Metallicity 0.1573407E+01 Ellipticity -0.3426180E+01 Gb(Abramov) 0.2338259E-01 Vb(Abramov) -0.2159287E-01 Hb(Abramov) 0.1789723E-02 Ex_ueg -0.5722958E-02 Ec_ueg -0.1145126E-02 Delta_ex -0.6284760E-02 Delta_ec 0.1617164E-02 Delta_et -0.1444625E-01 Pxc 0.4997665E+01 Qxc -0.3886285E+01 3,+1 120 3 +1 0.504132 1.693558 0.546995 Rho 0.8289283E-02 |GRAD(Rho)| 0.2373652E-14 GRAD(Rho)x -0.7055343E-15 GRAD(Rho)y -0.1657406E-14 GRAD(Rho)z -0.1545786E-14 Laplacian 0.3155639E-01 (-1/4)Del**2(Rho)) -0.7889098E-02 Diamond 0.8199711E-03 Metallicity 0.7414026E+00 Ellipticity -0.1482749E+01 Gb(Abramov) 0.6234232E-02 Vb(Abramov) -0.4579365E-02 Hb(Abramov) 0.1654866E-02 Ex_ueg -0.1239009E-02 Ec_ueg -0.2910993E-03 Delta_ex -0.1436215E-02 Delta_ec 0.4582271E-03 Delta_et -0.3090786E-02 Pxc 0.4256309E+01 Qxc -0.3134287E+01 3,+1 121 3 -1 -0.501830 0.490515 0.447215 Rho 0.1797533E+00 |GRAD(Rho)| 0.9613687E-15 GRAD(Rho)x 0.3400058E-15 GRAD(Rho)y -0.6696033E-15 GRAD(Rho)z -0.6002143E-15 Laplacian 0.4764270E+00 (-1/4)Del**2(Rho)) -0.1191067E+00 Diamond 0.1223017E+01 Metallicity 0.8280914E+01 Ellipticity 0.8397726E-02 Gb(Abramov) 0.2437899E+00 Vb(Abramov) -0.3684731E+00 Hb(Abramov) -0.1246832E+00 Ex_ueg -0.7492399E-01 Ec_ueg -0.1037464E-01 Delta_ex -0.5370062E-01 Delta_ec 0.1186577E-01 Delta_et -0.1624679E+00 Pxc 0.7221837E+01 Qxc -0.4525676E+01 3,-1 122 3 -1 -0.551419 -2.824160 1.842261 Rho 0.1518731E+00 |GRAD(Rho)| 0.9952718E-12 GRAD(Rho)x 0.6129829E-12 GRAD(Rho)y 0.3012128E-12 GRAD(Rho)z 0.7239398E-12 Laplacian 0.6265685E+00 (-1/4)Del**2(Rho)) -0.1566421E+00 Diamond 0.1280067E+01 Metallicity 0.4754586E+01 Ellipticity 0.8608046E-02 Gb(Abramov) 0.2285562E+00 Vb(Abramov) -0.3004702E+00 Hb(Abramov) -0.7191404E-01 Ex_ueg -0.5984477E-01 Ec_ueg -0.8563527E-02 Delta_ex -0.6740765E-01 Delta_ec 0.1569554E-01 Delta_et -0.2089377E+00 Pxc 0.6988332E+01 Qxc -0.4294701E+01 3,-1 123 3 -1 -0.564303 1.758408 1.760090 Rho 0.3694110E-01 |GRAD(Rho)| 0.3635832E-14 GRAD(Rho)x -0.2761041E-14 GRAD(Rho)y -0.2348565E-14 GRAD(Rho)z 0.2831394E-15 Laplacian 0.1569314E+00 (-1/4)Del**2(Rho)) -0.3923285E-01 Diamond 0.5645608E-01 Metallicity 0.1799229E+01 Ellipticity 0.2015824E-01 Gb(Abramov) 0.3792004E-01 Vb(Abramov) -0.3660724E-01 Hb(Abramov) 0.1312805E-02 Ex_ueg -0.9086532E-02 Ec_ueg -0.1706890E-02 Delta_ex -0.1222108E-01 Delta_ec 0.5116780E-02 Delta_et -0.4979506E-01 Pxc 0.5323444E+01 Qxc -0.2388431E+01 3,-1 124 3 -1 2.014122 -0.870287 3.022151 Rho 0.1139532E+00 |GRAD(Rho)| 0.1067624E-13 GRAD(Rho)x 0.8735776E-14 GRAD(Rho)y 0.4120050E-14 GRAD(Rho)z 0.4549007E-14 Laplacian 0.4656080E+00 (-1/4)Del**2(Rho)) -0.1164020E+00 Diamond 0.6984462E+00 Metallicity 0.3964028E+01 Ellipticity 0.1321040E-01 Gb(Abramov) 0.1545048E+00 Vb(Abramov) -0.1926076E+00 Hb(Abramov) -0.3810279E-01 Ex_ueg -0.4080251E-01 Ec_ueg -0.6177774E-02 Delta_ex -0.4708528E-01 Delta_ec 0.1313734E-01 Delta_et -0.1681004E+00 Pxc 0.6604727E+01 Qxc -0.3584080E+01 3,-1 125 3 +1 0.539245 -1.679663 -0.532010 Rho 0.8228376E-02 |GRAD(Rho)| 0.5847400E-17 GRAD(Rho)x -0.2978965E-17 GRAD(Rho)y 0.4832700E-17 GRAD(Rho)z -0.1401022E-17 Laplacian 0.3183381E-01 (-1/4)Del**2(Rho)) -0.7958452E-02 Diamond 0.8106688E-03 Metallicity 0.7259634E+00 Ellipticity -0.1448146E+01 Gb(Abramov) 0.6268559E-02 Vb(Abramov) -0.4578666E-02 Hb(Abramov) 0.1689893E-02 Ex_ueg -0.1226885E-02 Ec_ueg -0.2883834E-03 Delta_ex -0.1442222E-02 Delta_ec 0.4552187E-03 Delta_et -0.3070229E-02 Pxc 0.4254354E+01 Qxc -0.3168196E+01 3,+1 126 3 -1 0.040765 -3.003207 0.038889 Rho 0.5544101E-02 |GRAD(Rho)| 0.9388899E-17 GRAD(Rho)x -0.5139418E-17 GRAD(Rho)y 0.1751600E-17 GRAD(Rho)z 0.7659615E-17 Laplacian 0.2191589E-01 (-1/4)Del**2(Rho)) -0.5478973E-02 Diamond 0.6652425E-03 Metallicity 0.5460586E+00 Ellipticity 0.3534677E+01 Gb(Abramov) 0.4151288E-02 Vb(Abramov) -0.2823604E-02 Hb(Abramov) 0.1327684E-02 Ex_ueg -0.7247027E-03 Ec_ueg -0.1704023E-03 Delta_ex -0.1174854E-02 Delta_ec 0.8027945E-03 Delta_et -0.4452092E-02 Pxc 0.4252893E+01 Qxc -0.1463455E+01 3,-1 127 3 -1 -0.057537 -3.238867 3.234421 Rho 0.2309294E+00 |GRAD(Rho)| 0.8033477E-14 GRAD(Rho)x 0.4057627E-16 GRAD(Rho)y 0.6389312E-14 GRAD(Rho)z -0.4869477E-14 Laplacian 0.8455726E+00 (-1/4)Del**2(Rho)) -0.2113932E+00 Diamond 0.2856696E+01 Metallicity 0.7083715E+01 Ellipticity 0.2021988E-02 Gb(Abramov) 0.3905036E+00 Vb(Abramov) -0.5696140E+00 Hb(Abramov) -0.1791104E+00 Ex_ueg -0.1046383E+00 Ec_ueg -0.1381435E-01 Delta_ex -0.1011509E+00 Delta_ec 0.1890844E-01 Delta_et -0.2615888E+00 Pxc 0.7574614E+01 Qxc -0.5349513E+01 3,-1 128 3 -1 0.090536 -3.242294 -3.227229 Rho 0.2314670E+00 |GRAD(Rho)| 0.5064530E-15 GRAD(Rho)x 0.6117611E-16 GRAD(Rho)y 0.2224241E-15 GRAD(Rho)z 0.4508655E-15 Laplacian 0.8492365E+00 (-1/4)Del**2(Rho)) -0.2123091E+00 Diamond 0.2876249E+01 Metallicity 0.7080540E+01 Ellipticity 0.4747401E-02 Gb(Abramov) 0.3920833E+00 Vb(Abramov) -0.5718574E+00 Hb(Abramov) -0.1797742E+00 Ex_ueg -0.1049632E+00 Ec_ueg -0.1385125E-01 Delta_ex -0.1016458E+00 Delta_ec 0.1896890E-01 Delta_et -0.2624160E+00 Pxc 0.7577891E+01 Qxc -0.5358551E+01 3,-1 129 3 -1 -0.572929 -1.843519 2.838780 Rho 0.1628955E+00 |GRAD(Rho)| 0.3586283E-12 GRAD(Rho)x 0.2292281E-12 GRAD(Rho)y 0.4241830E-13 GRAD(Rho)z -0.2725242E-12 Laplacian 0.6676195E+00 (-1/4)Del**2(Rho)) -0.1669049E+00 Diamond 0.1480749E+01 Metallicity 0.5014944E+01 Ellipticity 0.1323851E-01 Gb(Abramov) 0.2507730E+00 Vb(Abramov) -0.3346412E+00 Hb(Abramov) -0.8386815E-01 Ex_ueg -0.6570483E-01 Ec_ueg -0.9274060E-02 Delta_ex -0.7305599E-01 Delta_ec 0.1638332E-01 Delta_et -0.2199388E+00 Pxc 0.7084796E+01 Qxc -0.4459168E+01 3,-1 130 3 -1 1.849431 0.611247 2.855663 Rho 0.1363575E+00 |GRAD(Rho)| 0.1018512E-15 GRAD(Rho)x -0.8080017E-16 GRAD(Rho)y 0.3233633E-16 GRAD(Rho)z -0.5290907E-16 Laplacian 0.5774678E+00 (-1/4)Del**2(Rho)) -0.1443670E+00 Diamond 0.1066887E+01 Metallicity 0.4310724E+01 Ellipticity 0.1273245E-01 Gb(Abramov) 0.1999657E+00 Vb(Abramov) -0.2555644E+00 Hb(Abramov) -0.5559870E-01 Ex_ueg -0.5183506E-01 Ec_ueg -0.7576000E-02 Delta_ex -0.6085049E-01 Delta_ec 0.1546868E-01 Delta_et -0.2039932E+00 Pxc 0.6842009E+01 Qxc -0.3933786E+01 3,-1 131 3 -1 -0.584683 1.785451 -2.856901 Rho 0.1113191E+00 |GRAD(Rho)| 0.4023793E-14 GRAD(Rho)x -0.4950603E-15 GRAD(Rho)y -0.3536207E-14 GRAD(Rho)z 0.1855012E-14 Laplacian 0.4766800E+00 (-1/4)Del**2(Rho)) -0.1191700E+00 Diamond 0.6977226E+00 Metallicity 0.3723939E+01 Ellipticity 0.2065020E-01 Gb(Abramov) 0.1534103E+00 Vb(Abramov) -0.1876506E+00 Hb(Abramov) -0.3424029E-01 Ex_ueg -0.3954984E-01 Ec_ueg -0.6015683E-02 Delta_ex -0.4797892E-01 Delta_ec 0.1358728E-01 Delta_et -0.1731793E+00 Pxc 0.6574456E+01 Qxc -0.3531164E+01 3,-1 132 3 +3 1.095247 1.120082 1.160131 Rho 0.4741711E-02 |GRAD(Rho)| 0.1712322E-15 GRAD(Rho)x 0.4867889E-16 GRAD(Rho)y -0.7710399E-18 GRAD(Rho)z -0.1641652E-15 Laplacian 0.1755767E-01 (-1/4)Del**2(Rho)) -0.4389418E-02 Diamond 0.1137110E-03 Metallicity 0.5252563E+00 Ellipticity -0.1758956E+00 Gb(Abramov) 0.3310540E-02 Vb(Abramov) -0.2231663E-02 Hb(Abramov) 0.1078878E-02 Ex_ueg -0.5883446E-03 Ec_ueg -0.1358145E-03 Delta_ex -0.5974433E-03 Delta_ec 0.7678824E-04 Delta_et -0.6039723E-03 Pxc 0.4331971E+01 Qxc -0.7780401E+01 3,+3 133 3 -1 0.565174 -1.850696 -2.801472 Rho 0.1521949E+00 |GRAD(Rho)| 0.1208716E-12 GRAD(Rho)x -0.8086026E-13 GRAD(Rho)y -0.8253272E-13 GRAD(Rho)z 0.3549508E-13 Laplacian 0.6347204E+00 (-1/4)Del**2(Rho)) -0.1586801E+00 Diamond 0.1296615E+01 Metallicity 0.4710109E+01 Ellipticity 0.1085453E-01 Gb(Abramov) 0.2303535E+00 Vb(Abramov) -0.3020269E+00 Hb(Abramov) -0.7167340E-01 Ex_ueg -0.6001391E-01 Ec_ueg -0.8584169E-02 Delta_ex -0.6828704E-01 Delta_ec 0.1583189E-01 Delta_et -0.2106714E+00 Pxc 0.6991232E+01 Qxc -0.4313257E+01 3,-1 134 3 +1 0.553720 -0.530480 -1.687166 Rho 0.8338982E-02 |GRAD(Rho)| 0.7563508E-17 GRAD(Rho)x 0.7545505E-17 GRAD(Rho)y -0.5142483E-18 GRAD(Rho)z 0.8693999E-19 Laplacian 0.3189971E-01 (-1/4)Del**2(Rho)) -0.7974927E-02 Diamond 0.8274640E-03 Metallicity 0.7407669E+00 Ellipticity -0.1467659E+01 Gb(Abramov) 0.6301211E-02 Vb(Abramov) -0.4627496E-02 Hb(Abramov) 0.1673715E-02 Ex_ueg -0.1248923E-02 Ec_ueg -0.2933166E-03 Delta_ex -0.1450169E-02 Delta_ec 0.4563371E-03 Delta_et -0.3088285E-02 Pxc 0.4257936E+01 Qxc -0.3177846E+01 3,+1 135 3 -1 0.511941 -1.724557 1.755253 Rho 0.4356530E-01 |GRAD(Rho)| 0.7833532E-16 GRAD(Rho)x 0.2438629E-16 GRAD(Rho)y 0.7310318E-16 GRAD(Rho)z 0.1405905E-16 Laplacian 0.1748361E+00 (-1/4)Del**2(Rho)) -0.4370903E-01 Diamond 0.7284564E-01 Metallicity 0.2125934E+01 Ellipticity 0.1978290E-01 Gb(Abramov) 0.4462644E-01 Vb(Abramov) -0.4554385E-01 Hb(Abramov) -0.9174090E-03 Ex_ueg -0.1132155E-01 Ec_ueg -0.2062403E-02 Delta_ex -0.1386952E-01 Delta_ec 0.5154879E-02 Delta_et -0.5240629E-01 Pxc 0.5489496E+01 Qxc -0.2690562E+01 3,-1 136 3 +1 1.767284 -1.787408 -1.767289 Rho 0.1201122E-01 |GRAD(Rho)| 0.2067865E-16 GRAD(Rho)x 0.6405032E-17 GRAD(Rho)y 0.1895505E-16 GRAD(Rho)z -0.5223809E-17 Laplacian 0.5875582E-01 (-1/4)Del**2(Rho)) -0.1468895E-01 Diamond 0.2295860E-02 Metallicity 0.7388240E+00 Ellipticity -0.1253050E+01 Gb(Abramov) 0.1160139E-01 Vb(Abramov) -0.8513835E-02 Hb(Abramov) 0.3087559E-02 Ex_ueg -0.2031583E-02 Ec_ueg -0.4600871E-03 Delta_ex -0.2871065E-02 Delta_ec 0.7309512E-03 Delta_et -0.5506517E-02 Pxc 0.4415650E+01 Qxc -0.3927848E+01 3,+1 137 3 -1 0.583520 1.856656 2.883545 Rho 0.1259743E+00 |GRAD(Rho)| 0.1196242E-11 GRAD(Rho)x 0.7927261E-12 GRAD(Rho)y -0.8404463E-12 GRAD(Rho)z 0.3102087E-12 Laplacian 0.5346118E+00 (-1/4)Del**2(Rho)) -0.1336530E+00 Diamond 0.9028143E+00 Metallicity 0.4080477E+01 Ellipticity 0.2128408E-01 Gb(Abramov) 0.1799966E+00 Vb(Abramov) -0.2263402E+00 Hb(Abramov) -0.4634365E-01 Ex_ueg -0.4664024E-01 Ec_ueg -0.6923763E-02 Delta_ex -0.5533500E-01 Delta_ec 0.1469802E-01 Delta_et -0.1914607E+00 Pxc 0.6736256E+01 Qxc -0.3764794E+01 3,-1 138 3 -1 0.563537 2.818427 1.841789 Rho 0.1045286E+00 |GRAD(Rho)| 0.1641795E-15 GRAD(Rho)x 0.2304607E-16 GRAD(Rho)y 0.9866917E-16 GRAD(Rho)z -0.1291827E-15 Laplacian 0.4511411E+00 (-1/4)Del**2(Rho)) -0.1127853E+00 Diamond 0.6118414E+00 Metallicity 0.3542906E+01 Ellipticity 0.2400570E-01 Gb(Abramov) 0.1417881E+00 Vb(Abramov) -0.1707910E+00 Hb(Abramov) -0.2900284E-01 Ex_ueg -0.3636627E-01 Ec_ueg -0.5600188E-02 Delta_ex -0.4474394E-01 Delta_ec 0.1303166E-01 Delta_et -0.1640463E+00 Pxc 0.6493759E+01 Qxc -0.3433478E+01 3,-1 139 3 -1 0.529097 1.740628 -1.772622 Rho 0.4217943E-01 |GRAD(Rho)| 0.1877180E-16 GRAD(Rho)x 0.1434027E-17 GRAD(Rho)y -0.7884183E-17 GRAD(Rho)z 0.1697539E-16 Laplacian 0.1811986E+00 (-1/4)Del**2(Rho)) -0.4529965E-01 Diamond 0.7839991E-01 Metallicity 0.1943686E+01 Ellipticity 0.1526979E-01 Gb(Abramov) 0.4487449E-01 Vb(Abramov) -0.4444932E-01 Hb(Abramov) 0.4251658E-03 Ex_ueg -0.1084391E-01 Ec_ueg -0.1987375E-02 Delta_ex -0.1459130E-01 Delta_ec 0.5937424E-02 Delta_et -0.5993540E-01 Pxc 0.5456398E+01 Qxc -0.2457514E+01 3,-1 140 3 -1 0.047319 3.282915 3.289278 Rho 0.2081019E+00 |GRAD(Rho)| 0.1141157E-11 GRAD(Rho)x -0.2092608E-12 GRAD(Rho)y -0.8182216E-12 GRAD(Rho)z -0.7674388E-12 Laplacian 0.7771922E+00 (-1/4)Del**2(Rho)) -0.1942980E+00 Diamond 0.2321522E+01 Metallicity 0.6479547E+01 Ellipticity 0.1801926E-02 Gb(Abramov) 0.3393593E+00 Vb(Abramov) -0.4844205E+00 Hb(Abramov) -0.1450612E+00 Ex_ueg -0.9107930E-01 Ec_ueg -0.1226202E-01 Delta_ex -0.9053465E-01 Delta_ec 0.1795705E-01 Delta_et -0.2471441E+00 Pxc 0.7427754E+01 Qxc -0.5041734E+01 3,-1 141 3 +1 1.192579 -2.168581 1.256418 Rho 0.2683840E-01 |GRAD(Rho)| 0.5698723E-14 GRAD(Rho)x 0.1136043E-14 GRAD(Rho)y -0.4645270E-14 GRAD(Rho)z 0.3099405E-14 Laplacian 0.1096006E+00 (-1/4)Del**2(Rho)) -0.2740016E-01 Diamond 0.1760025E-01 Metallicity 0.1512613E+01 Ellipticity -0.9324322E+01 Gb(Abramov) 0.2517441E-01 Vb(Abramov) -0.2294867E-01 Hb(Abramov) 0.2225745E-02 Ex_ueg -0.5934634E-02 Ec_ueg -0.1181713E-02 Delta_ex -0.7124573E-02 Delta_ec 0.2176363E-02 Delta_et -0.1948861E-01 Pxc 0.5022060E+01 Qxc -0.3273614E+01 3,+1 142 3 +1 0.185861 0.161347 -2.996353 Rho 0.5296147E-02 |GRAD(Rho)| 0.4686259E-16 GRAD(Rho)x 0.3576543E-16 GRAD(Rho)y 0.2994709E-16 GRAD(Rho)z 0.4484185E-17 Laplacian 0.2063176E-01 (-1/4)Del**2(Rho)) -0.5157940E-02 Diamond 0.4554392E-03 Metallicity 0.5374568E+00 Ellipticity -0.2237035E+01 Gb(Abramov) 0.3900655E-02 Vb(Abramov) -0.2643370E-02 Hb(Abramov) 0.1257285E-02 Ex_ueg -0.6818127E-03 Ec_ueg -0.1596794E-03 Delta_ex -0.9819116E-03 Delta_ec 0.5508023E-03 Delta_et -0.3083133E-02 Pxc 0.4269885E+01 Qxc -0.1782693E+01 3,+1 143 3 -1 0.462909 0.487010 -0.487565 Rho 0.1846705E+00 |GRAD(Rho)| 0.6552030E-14 GRAD(Rho)x -0.3903128E-14 GRAD(Rho)y -0.3944761E-14 GRAD(Rho)z 0.3483325E-14 Laplacian 0.4977542E+00 (-1/4)Del**2(Rho)) -0.1244385E+00 Diamond 0.1316724E+01 Metallicity 0.8290759E+01 Ellipticity 0.4949532E-02 Gb(Abramov) 0.2549074E+00 Vb(Abramov) -0.3853762E+00 Hb(Abramov) -0.1304688E+00 Ex_ueg -0.7766915E-01 Ec_ueg -0.1069877E-01 Delta_ex -0.5646183E-01 Delta_ec 0.1226772E-01 Delta_et -0.1683488E+00 Pxc 0.7259635E+01 Qxc -0.4602473E+01 3,-1 144 3 +1 1.214121 1.263001 -2.234640 Rho 0.2480278E-01 |GRAD(Rho)| 0.2693932E-16 GRAD(Rho)x -0.2862729E-17 GRAD(Rho)y -0.9966168E-17 GRAD(Rho)z -0.2486377E-16 Laplacian 0.9228731E-01 (-1/4)Del**2(Rho)) -0.2307183E-01 Diamond 0.1290543E-01 Metallicity 0.1575089E+01 Ellipticity -0.1753325E+02 Gb(Abramov) 0.2143792E-01 Vb(Abramov) -0.1980401E-01 Hb(Abramov) 0.1633911E-02 Ex_ueg -0.5342185E-02 Ec_ueg -0.1078790E-02 Delta_ex -0.5833689E-02 Delta_ec 0.1755378E-02 Delta_et -0.1542008E-01 Pxc 0.4952017E+01 Qxc -0.3323324E+01 3,+1 145 3 -1 1.727939 -0.500255 1.746420 Rho 0.4120144E-01 |GRAD(Rho)| 0.4136015E-13 GRAD(Rho)x -0.3665749E-13 GRAD(Rho)y 0.1909757E-13 GRAD(Rho)z 0.1474364E-14 Laplacian 0.1759494E+00 (-1/4)Del**2(Rho)) -0.4398736E-01 Diamond 0.7398451E-01 Metallicity 0.1924920E+01 Ellipticity 0.1393771E-01 Gb(Abramov) 0.4343693E-01 Vb(Abramov) -0.4288650E-01 Hb(Abramov) 0.5504287E-03 Ex_ueg -0.1050997E-01 Ec_ueg -0.1934630E-02 Delta_ex -0.1410147E-01 Delta_ec 0.5790401E-02 Delta_et -0.5807965E-01 Pxc 0.5432549E+01 Qxc -0.2435319E+01 3,-1 146 3 +3 1.944890 -1.916419 1.926439 Rho 0.1186692E-01 |GRAD(Rho)| 0.1912789E-16 GRAD(Rho)x 0.1153934E-16 GRAD(Rho)y 0.1371236E-16 GRAD(Rho)z 0.6685126E-17 Laplacian 0.5358925E-01 (-1/4)Del**2(Rho)) -0.1339731E-01 Diamond 0.1245327E-02 Metallicity 0.7938994E+00 Ellipticity -0.8034473E+00 Gb(Abramov) 0.1070423E-01 Vb(Abramov) -0.8011143E-02 Hb(Abramov) 0.2693084E-02 Ex_ueg -0.1999105E-02 Ec_ueg -0.4534290E-03 Delta_ex -0.2371409E-02 Delta_ec 0.2403000E-03 Delta_et -0.2148880E-02 Pxc 0.4408861E+01 Qxc -0.9868536E+01 3,+3 147 3 +1 1.417852 -1.042441 2.188554 Rho 0.2587904E-01 |GRAD(Rho)| 0.9526597E-16 GRAD(Rho)x -0.4434310E-17 GRAD(Rho)y 0.2603641E-16 GRAD(Rho)z -0.9153168E-16 Laplacian 0.9962621E-01 (-1/4)Del**2(Rho)) -0.2490655E-01 Diamond 0.1264434E-01 Metallicity 0.1566101E+01 Ellipticity -0.2852244E+01 Gb(Abramov) 0.2310540E-01 Vb(Abramov) -0.2130424E-01 Hb(Abramov) 0.1801155E-02 Ex_ueg -0.5653480E-02 Ec_ueg -0.1133073E-02 Delta_ex -0.6147879E-02 Delta_ec 0.1501590E-02 Delta_et -0.1340615E-01 Pxc 0.4989509E+01 Qxc -0.4094245E+01 3,+1 148 3 -1 0.568674 -2.814336 -1.812075 Rho 0.1410340E+00 |GRAD(Rho)| 0.8285796E-12 GRAD(Rho)x 0.5190839E-12 GRAD(Rho)y -0.1644819E-12 GRAD(Rho)z 0.6245333E-12 Laplacian 0.5807181E+00 (-1/4)Del**2(Rho)) -0.1451795E+00 Diamond 0.1090482E+01 Metallicity 0.4534409E+01 Ellipticity 0.1177002E-01 Gb(Abramov) 0.2065036E+00 Vb(Abramov) -0.2678276E+00 Hb(Abramov) -0.6132405E-01 Ex_ueg -0.5421882E-01 Ec_ueg -0.7872053E-02 Delta_ex -0.6140416E-01 Delta_ec 0.1491378E-01 Delta_et -0.1966774E+00 Pxc 0.6887507E+01 Qxc -0.4117275E+01 3,-1 149 3 -1 0.846905 -3.001786 2.002408 Rho 0.1252730E+00 |GRAD(Rho)| 0.2802353E-15 GRAD(Rho)x 0.2138318E-15 GRAD(Rho)y -0.9332270E-16 GRAD(Rho)z -0.1552374E-15 Laplacian 0.4891968E+00 (-1/4)Del**2(Rho)) -0.1222992E+00 Diamond 0.7990336E+00 Metallicity 0.4417995E+01 Ellipticity 0.2460305E-01 Gb(Abramov) 0.1715857E+00 Vb(Abramov) -0.2208722E+00 Hb(Abramov) -0.4928648E-01 Ex_ueg -0.4629438E-01 Ec_ueg -0.6879970E-02 Delta_ex -0.5029401E-01 Delta_ec 0.1297930E-01 Delta_et -0.1680806E+00 Pxc 0.6728864E+01 Qxc -0.3874941E+01 3,-1 150 3 -1 0.868091 2.005663 -3.099744 Rho 0.1262994E+00 |GRAD(Rho)| 0.7702782E-14 GRAD(Rho)x -0.5615056E-14 GRAD(Rho)y 0.4381437E-14 GRAD(Rho)z 0.2933770E-14 Laplacian 0.5138487E+00 (-1/4)Del**2(Rho)) -0.1284622E+00 Diamond 0.8643375E+00 Metallicity 0.4263637E+01 Ellipticity 0.8354670E-02 Gb(Abramov) 0.1769274E+00 Vb(Abramov) -0.2253927E+00 Hb(Abramov) -0.4846528E-01 Ex_ueg -0.4680083E-01 Ec_ueg -0.6944080E-02 Delta_ex -0.5314205E-01 Delta_ec 0.1398211E-01 Delta_et -0.1819825E+00 Pxc 0.6739673E+01 Qxc -0.3800718E+01 3,-1 151 3 +1 1.786830 1.787798 1.787182 Rho 0.1141907E-01 |GRAD(Rho)| 0.7577568E-14 GRAD(Rho)x -0.2286702E-14 GRAD(Rho)y 0.6415418E-14 GRAD(Rho)z -0.3321589E-14 Laplacian 0.5358290E-01 (-1/4)Del**2(Rho)) -0.1339572E-01 Diamond 0.1910397E-02 Metallicity 0.7446833E+00 Ellipticity -0.1252088E+01 Gb(Abramov) 0.1059308E-01 Vb(Abramov) -0.7790432E-02 Hb(Abramov) 0.2802646E-02 Ex_ueg -0.1899151E-02 Ec_ueg -0.4328182E-03 Delta_ex -0.2570174E-02 Delta_ec 0.6428741E-03 Delta_et -0.4803681E-02 Pxc 0.4387872E+01 Qxc -0.3997942E+01 3,+1 152 3 +1 1.058220 2.198697 -1.431033 Rho 0.2616476E-01 |GRAD(Rho)| 0.1197369E-14 GRAD(Rho)x -0.8261022E-15 GRAD(Rho)y -0.3024731E-16 GRAD(Rho)z -0.8662179E-15 Laplacian 0.1009502E+00 (-1/4)Del**2(Rho)) -0.2523755E-01 Diamond 0.1324451E-01 Metallicity 0.1574106E+01 Ellipticity -0.3086003E+01 Gb(Abramov) 0.2344613E-01 Vb(Abramov) -0.2165471E-01 Hb(Abramov) 0.1791420E-02 Ex_ueg -0.5736858E-02 Ec_ueg -0.1147535E-02 Delta_ex -0.6272406E-02 Delta_ec 0.1564690E-02 Delta_et -0.1399546E-01 Pxc 0.4999288E+01 Qxc -0.4008721E+01 3,+1 153 3 -1 0.854850 -2.028752 3.024895 Rho 0.1463537E+00 |GRAD(Rho)| 0.2648352E-15 GRAD(Rho)x 0.2531612E-15 GRAD(Rho)y -0.7527074E-16 GRAD(Rho)z -0.1952919E-16 Laplacian 0.5739311E+00 (-1/4)Del**2(Rho)) -0.1434828E+00 Diamond 0.1123761E+01 Metallicity 0.4880075E+01 Ellipticity 0.3006879E-01 Gb(Abramov) 0.2123563E+00 Vb(Abramov) -0.2812298E+00 Hb(Abramov) -0.6887351E-01 Ex_ueg -0.5696265E-01 Ec_ueg -0.8210511E-02 Delta_ex -0.6120773E-01 Delta_ec 0.1455104E-01 Delta_et -0.1928088E+00 Pxc 0.6937771E+01 Qxc -0.4206416E+01 3,-1 154 3 -1 0.868976 3.029972 -2.038355 Rho 0.1170738E+00 |GRAD(Rho)| 0.5933508E-15 GRAD(Rho)x 0.5105644E-15 GRAD(Rho)y 0.2232914E-15 GRAD(Rho)z 0.2037894E-15 Laplacian 0.4756613E+00 (-1/4)Del**2(Rho)) -0.1189153E+00 Diamond 0.7362048E+00 Metallicity 0.4058963E+01 Ellipticity 0.1715849E-01 Gb(Abramov) 0.1597224E+00 Vb(Abramov) -0.2005294E+00 Hb(Abramov) -0.4080704E-01 Ex_ueg -0.4229914E-01 Ec_ueg -0.6370459E-02 Delta_ex -0.4839590E-01 Delta_ec 0.1331683E-01 Delta_et -0.1712260E+00 Pxc 0.6639889E+01 Qxc -0.3634191E+01 3,-1 155 3 -1 1.734922 -1.727404 0.541771 Rho 0.4134456E-01 |GRAD(Rho)| 0.1465176E-12 GRAD(Rho)x -0.1357269E-12 GRAD(Rho)y 0.7337240E-14 GRAD(Rho)z -0.5469717E-13 Laplacian 0.1643356E+00 (-1/4)Del**2(Rho)) -0.4108391E-01 Diamond 0.6324987E-01 Metallicity 0.2072901E+01 Ellipticity 0.1453843E-01 Gb(Abramov) 0.4158309E-01 Vb(Abramov) -0.4208227E-01 Hb(Abramov) -0.4991781E-03 Ex_ueg -0.1055868E-01 Ec_ueg -0.1942338E-02 Delta_ex -0.1283874E-01 Delta_ec 0.4795618E-02 Delta_et -0.4807116E-01 Pxc 0.5436065E+01 Qxc -0.2677183E+01 3,-1 156 3 -1 1.819778 -0.577391 -2.817212 Rho 0.1128568E+00 |GRAD(Rho)| 0.1626255E-15 GRAD(Rho)x 0.1421660E-15 GRAD(Rho)y 0.5411524E-16 GRAD(Rho)z -0.5751015E-16 Laplacian 0.4851947E+00 (-1/4)Del**2(Rho)) -0.1212987E+00 Diamond 0.7224582E+00 Metallicity 0.3743203E+01 Ellipticity 0.2025733E-01 Gb(Abramov) 0.1565401E+00 Vb(Abramov) -0.1917814E+00 Hb(Abramov) -0.3524137E-01 Ex_ueg -0.4027993E-01 Ec_ueg -0.6110246E-02 Delta_ex -0.4899934E-01 Delta_ec 0.1379913E-01 Delta_et -0.1763591E+00 Pxc 0.6592195E+01 Qxc -0.3550900E+01 3,-1 157 3 +3 2.328279 0.001424 -0.012291 Rho 0.4334411E-02 |GRAD(Rho)| 0.3798960E-17 GRAD(Rho)x 0.3680837E-17 GRAD(Rho)y -0.9165389E-18 GRAD(Rho)z 0.2085416E-18 Laplacian 0.1740180E-01 (-1/4)Del**2(Rho)) -0.4350450E-02 Diamond 0.1363022E-03 Metallicity 0.4562846E+00 Ellipticity -0.2959583E+00 Gb(Abramov) 0.3231140E-02 Vb(Abramov) -0.2111831E-02 Hb(Abramov) 0.1119309E-02 Ex_ueg -0.5219455E-03 Ec_ueg -0.1183832E-03 Delta_ex -0.6187891E-03 Delta_ec 0.1495646E-03 Delta_et -0.9413111E-03 Pxc 0.4408949E+01 Qxc -0.4137271E+01 3,+3 158 3 -1 2.021364 0.872210 -3.086432 Rho 0.1306912E+00 |GRAD(Rho)| 0.1367715E-15 GRAD(Rho)x 0.1157928E-15 GRAD(Rho)y -0.7279062E-16 GRAD(Rho)z -0.5421011E-19 Laplacian 0.5280007E+00 (-1/4)Del**2(Rho)) -0.1320002E+00 Diamond 0.9259672E+00 Metallicity 0.4392611E+01 Ellipticity 0.1069539E-01 Gb(Abramov) 0.1846377E+00 Vb(Abramov) -0.2372752E+00 Hb(Abramov) -0.5263752E-01 Ex_ueg -0.4898318E-01 Ec_ueg -0.7219185E-02 Delta_ex -0.5506091E-01 Delta_ec 0.1426467E-01 Delta_et -0.1867642E+00 Pxc 0.6785140E+01 Qxc -0.3859950E+01 3,-1 159 3 -1 1.739890 0.550769 -1.757285 Rho 0.4203816E-01 |GRAD(Rho)| 0.3405697E-14 GRAD(Rho)x 0.2175957E-14 GRAD(Rho)y -0.2592174E-14 GRAD(Rho)z 0.3802881E-15 Laplacian 0.1808044E+00 (-1/4)Del**2(Rho)) -0.4520110E-01 Diamond 0.7784711E-01 Metallicity 0.1937062E+01 Ellipticity 0.1594243E-01 Gb(Abramov) 0.4472696E-01 Vb(Abramov) -0.4425282E-01 Hb(Abramov) 0.4741439E-03 Ex_ueg -0.1079551E-01 Ec_ueg -0.1979746E-02 Delta_ex -0.1454622E-01 Delta_ec 0.5922041E-02 Delta_et -0.5972489E-01 Pxc 0.5452979E+01 Qxc -0.2456284E+01 3,-1 160 3 -1 2.006816 -3.004947 0.850362 Rho 0.1405629E+00 |GRAD(Rho)| 0.2102068E-15 GRAD(Rho)x -0.1951835E-15 GRAD(Rho)y -0.5540951E-16 GRAD(Rho)z 0.5495550E-16 Laplacian 0.5552372E+00 (-1/4)Del**2(Rho)) -0.1388093E+00 Diamond 0.1037056E+01 Metallicity 0.4716129E+01 Ellipticity 0.4241049E-01 Gb(Abramov) 0.2016466E+00 Vb(Abramov) -0.2644840E+00 Hb(Abramov) -0.6283733E-01 Ex_ueg -0.5397748E-01 Ec_ueg -0.7842167E-02 Delta_ex -0.5864680E-01 Delta_ec 0.1424399E-01 Delta_et -0.1876939E+00 Pxc 0.6882980E+01 Qxc -0.4117302E+01 3,-1 161 3 -1 1.820634 -2.801487 -0.560581 Rho 0.1294468E+00 |GRAD(Rho)| 0.6569630E-11 GRAD(Rho)x 0.4745071E-11 GRAD(Rho)y 0.2700569E-12 GRAD(Rho)z 0.4535572E-11 Laplacian 0.5414515E+00 (-1/4)Del**2(Rho)) -0.1353629E+00 Diamond 0.9161819E+00 Metallicity 0.4215727E+01 Ellipticity 0.1091716E-01 Gb(Abramov) 0.1853507E+00 Vb(Abramov) -0.2353386E+00 Hb(Abramov) -0.4998786E-01 Ex_ueg -0.4836229E-01 Ec_ueg -0.7141103E-02 Delta_ex -0.5606129E-01 Delta_ec 0.1417361E-01 Delta_et -0.1843968E+00 Pxc 0.6772383E+01 Qxc -0.3955329E+01 3,-1 162 3 -1 1.728519 1.761354 -0.540365 Rho 0.4416095E-01 |GRAD(Rho)| 0.3973074E-14 GRAD(Rho)x -0.1245524E-14 GRAD(Rho)y 0.2555188E-14 GRAD(Rho)z -0.2775789E-14 Laplacian 0.1784718E+00 (-1/4)Del**2(Rho)) -0.4461796E-01 Diamond 0.7567480E-01 Metallicity 0.2130300E+01 Ellipticity 0.1378617E-01 Gb(Abramov) 0.4558692E-01 Vb(Abramov) -0.4655587E-01 Hb(Abramov) -0.9689568E-03 Ex_ueg -0.1152842E-01 Ec_ueg -0.2094750E-02 Delta_ex -0.1420244E-01 Delta_ec 0.5255071E-02 Delta_et -0.5361662E-01 Pxc 0.5503480E+01 Qxc -0.2702617E+01 3,-1 163 3 -1 3.034126 -0.868455 1.991879 Rho 0.1023327E+00 |GRAD(Rho)| 0.6603507E-12 GRAD(Rho)x 0.2797395E-13 GRAD(Rho)y 0.4698309E-12 GRAD(Rho)z 0.4631841E-12 Laplacian 0.4274014E+00 (-1/4)Del**2(Rho)) -0.1068503E+00 Diamond 0.5634440E+00 Metallicity 0.3609675E+01 Ellipticity 0.9076538E-02 Gb(Abramov) 0.1355161E+00 Vb(Abramov) -0.1641818E+00 Hb(Abramov) -0.2866573E-01 Ex_ueg -0.3535122E-01 Ec_ueg -0.5466576E-02 Delta_ex -0.4215604E-01 Delta_ec 0.1235739E-01 Delta_et -0.1548385E+00 Pxc 0.6466795E+01 Qxc -0.3411404E+01 3,-1 164 3 +1 2.190468 -1.055336 1.406503 Rho 0.2443092E-01 |GRAD(Rho)| 0.4465707E-14 GRAD(Rho)x 0.2124654E-14 GRAD(Rho)y 0.2550166E-14 GRAD(Rho)z 0.2987479E-14 Laplacian 0.9219459E-01 (-1/4)Del**2(Rho)) -0.2304865E-01 Diamond 0.1068408E-01 Metallicity 0.1537472E+01 Ellipticity -0.2730590E+01 Gb(Abramov) 0.2127187E-01 Vb(Abramov) -0.1949510E-01 Hb(Abramov) 0.1776772E-02 Ex_ueg -0.5235660E-02 Ec_ueg -0.1060105E-02 Delta_ex -0.5587133E-02 Delta_ec 0.1364971E-02 Delta_et -0.1203053E-01 Pxc 0.4938814E+01 Qxc -0.4093225E+01 3,+1 165 3 -1 2.808364 -1.840065 -0.556932 Rho 0.1589842E+00 |GRAD(Rho)| 0.6394691E-16 GRAD(Rho)x -0.1619527E-17 GRAD(Rho)y -0.6052559E-16 GRAD(Rho)z 0.2057274E-16 Laplacian 0.6532841E+00 (-1/4)Del**2(Rho)) -0.1633210E+00 Diamond 0.1410031E+01 Metallicity 0.4921542E+01 Ellipticity 0.1044832E-01 Gb(Abramov) 0.2428459E+00 Vb(Abramov) -0.3223708E+00 Hb(Abramov) -0.7952488E-01 Ex_ueg -0.6360977E-01 Ec_ueg -0.9021094E-02 Delta_ex -0.7108192E-01 Delta_ec 0.1617669E-01 Delta_et -0.2166309E+00 Pxc 0.7051226E+01 Qxc -0.4394094E+01 3,-1 166 3 -1 2.005516 3.042904 -0.863438 Rho 0.1428079E+00 |GRAD(Rho)| 0.1865649E-15 GRAD(Rho)x 0.1408108E-16 GRAD(Rho)y -0.1135702E-15 GRAD(Rho)z 0.1473431E-15 Laplacian 0.5559435E+00 (-1/4)Del**2(Rho)) -0.1389859E+00 Diamond 0.1058431E+01 Metallicity 0.4836186E+01 Ellipticity 0.2696758E-01 Gb(Abramov) 0.2046842E+00 Vb(Abramov) -0.2703825E+00 Hb(Abramov) -0.6569831E-01 Ex_ueg -0.5513002E-01 Ec_ueg -0.7984720E-02 Delta_ex -0.5895014E-01 Delta_ec 0.1420878E-01 Delta_et -0.1876723E+00 Pxc 0.6904441E+01 Qxc -0.4148853E+01 3,-1 167 3 -1 1.816351 2.821664 0.554482 Rho 0.1572938E+00 |GRAD(Rho)| 0.5038856E-15 GRAD(Rho)x 0.4178515E-15 GRAD(Rho)y 0.2599375E-16 GRAD(Rho)z -0.2804018E-15 Laplacian 0.6482284E+00 (-1/4)Del**2(Rho)) -0.1620571E+00 Diamond 0.1377301E+01 Metallicity 0.4872340E+01 Ellipticity 0.1203493E-01 Gb(Abramov) 0.2396376E+00 Vb(Abramov) -0.3172181E+00 Hb(Abramov) -0.7758052E-01 Ex_ueg -0.6270955E-01 Ec_ueg -0.8912043E-02 Delta_ex -0.7030796E-01 Delta_ec 0.1602880E-01 Delta_et -0.2141932E+00 Pxc 0.7036496E+01 Qxc -0.4386353E+01 3,-1 168 3 -1 3.040182 -2.029068 0.843048 Rho 0.1605453E+00 |GRAD(Rho)| 0.3463112E-15 GRAD(Rho)x -0.1299416E-15 GRAD(Rho)y -0.3008661E-16 GRAD(Rho)z -0.3195957E-15 Laplacian 0.6222691E+00 (-1/4)Del**2(Rho)) -0.1555673E+00 Diamond 0.1366236E+01 Metallicity 0.5251672E+01 Ellipticity 0.3095311E-01 Gb(Abramov) 0.2398763E+00 Vb(Abramov) -0.3241852E+00 Hb(Abramov) -0.8430898E-01 Ex_ueg -0.6444391E-01 Ec_ueg -0.9121948E-02 Delta_ex -0.6793813E-01 Delta_ec 0.1548894E-01 Delta_et -0.2079792E+00 Pxc 0.7064710E+01 Qxc -0.4386236E+01 3,-1 169 3 -1 2.810204 -0.579912 -1.826234 Rho 0.1077969E+00 |GRAD(Rho)| 0.2645020E-15 GRAD(Rho)x -0.1094570E-15 GRAD(Rho)y 0.1880278E-15 GRAD(Rho)z -0.1504195E-15 Laplacian 0.4704427E+00 (-1/4)Del**2(Rho)) -0.1176107E+00 Diamond 0.6643673E+00 Metallicity 0.3576435E+01 Ellipticity 0.1375089E-01 Gb(Abramov) 0.1485116E+00 Vb(Abramov) -0.1794125E+00 Hb(Abramov) -0.3090094E-01 Ex_ueg -0.3789020E-01 Ec_ueg -0.5799735E-02 Delta_ex -0.4702745E-01 Delta_ec 0.1355903E-01 Delta_et -0.1718121E+00 Pxc 0.6533091E+01 Qxc -0.3468349E+01 3,-1 170 3 +1 2.974525 -0.135190 0.123118 Rho 0.5199310E-02 |GRAD(Rho)| 0.9809024E-16 GRAD(Rho)x 0.4750189E-17 GRAD(Rho)y -0.7348548E-16 GRAD(Rho)z 0.6479981E-16 Laplacian 0.2049892E-01 (-1/4)Del**2(Rho)) -0.5124730E-02 Diamond 0.5072254E-03 Metallicity 0.5245559E+00 Ellipticity -0.4682338E+01 Gb(Abramov) 0.3864521E-02 Vb(Abramov) -0.2604313E-02 Hb(Abramov) 0.1260209E-02 Ex_ueg -0.6652416E-03 Ec_ueg -0.1555000E-03 Delta_ex -0.1029916E-02 Delta_ec 0.6508389E-03 Delta_et -0.3574170E-02 Pxc 0.4278081E+01 Qxc -0.1582444E+01 3,+1 171 3 -1 3.034308 0.895040 -2.011053 Rho 0.1216143E+00 |GRAD(Rho)| 0.6899383E-14 GRAD(Rho)x -0.2281771E-14 GRAD(Rho)y -0.5193572E-14 GRAD(Rho)z -0.3927062E-14 Laplacian 0.4951132E+00 (-1/4)Del**2(Rho)) -0.1237783E+00 Diamond 0.8000330E+00 Metallicity 0.4154798E+01 Ellipticity 0.2299112E-01 Gb(Abramov) 0.1682312E+00 Vb(Abramov) -0.2126840E+00 Hb(Abramov) -0.4445287E-01 Ex_ueg -0.4450048E-01 Ec_ueg -0.6652039E-02 Delta_ex -0.5080127E-01 Delta_ec 0.1369031E-01 Delta_et -0.1771713E+00 Pxc 0.6689751E+01 Qxc -0.3710748E+01 3,-1 172 3 -1 3.271588 -0.060920 -3.246735 Rho 0.2078861E+00 |GRAD(Rho)| 0.1970708E-14 GRAD(Rho)x 0.1426051E-14 GRAD(Rho)y 0.1205118E-14 GRAD(Rho)z 0.6306804E-15 Laplacian 0.7832307E+00 (-1/4)Del**2(Rho)) -0.1958077E+00 Diamond 0.2330975E+01 Metallicity 0.6418484E+01 Ellipticity 0.2275760E-02 Gb(Abramov) 0.3400032E+00 Vb(Abramov) -0.4841987E+00 Hb(Abramov) -0.1441955E+00 Ex_ueg -0.9095340E-01 Ec_ueg -0.1224749E-01 Delta_ex -0.9117724E-01 Delta_ec 0.1803655E-01 Delta_et -0.2479818E+00 Pxc 0.7426290E+01 Qxc -0.5055137E+01 3,-1 173 3 -1 2.976626 -0.037500 0.019627 Rho 0.5206247E-02 |GRAD(Rho)| 0.3386367E-17 GRAD(Rho)x 0.3879331E-18 GRAD(Rho)y -0.2541645E-17 GRAD(Rho)z 0.2203867E-17 Laplacian 0.2023461E-01 (-1/4)Del**2(Rho)) -0.5058652E-02 Diamond 0.5550533E-03 Metallicity 0.5325901E+00 Ellipticity 0.4944364E+01 Gb(Abramov) 0.3821466E-02 Vb(Abramov) -0.2584280E-02 Hb(Abramov) 0.1237186E-02 Ex_ueg -0.6664253E-03 Ec_ueg -0.1557992E-03 Delta_ex -0.1063944E-02 Delta_ec 0.7264415E-03 Delta_et -0.3957426E-02 Pxc 0.4277462E+01 Qxc -0.1464597E+01 3,-1 174 3 -1 2.822753 0.603449 1.803742 Rho 0.1190163E+00 |GRAD(Rho)| 0.1116321E-11 GRAD(Rho)x -0.1743565E-12 GRAD(Rho)y -0.7110941E-12 GRAD(Rho)z 0.8426851E-12 Laplacian 0.5110662E+00 (-1/4)Del**2(Rho)) -0.1277665E+00 Diamond 0.8067144E+00 Metallicity 0.3882817E+01 Ellipticity 0.1389718E-01 Gb(Abramov) 0.1678600E+00 Vb(Abramov) -0.2079535E+00 Hb(Abramov) -0.4009350E-01 Ex_ueg -0.4323749E-01 Ec_ueg -0.6490746E-02 Delta_ex -0.5219895E-01 Delta_ec 0.1425194E-01 Delta_et -0.1838007E+00 Pxc 0.6661405E+01 Qxc -0.3662587E+01 3,-1 175 3 -1 3.274193 0.067225 3.233867 Rho 0.2080305E+00 |GRAD(Rho)| 0.4517449E-15 GRAD(Rho)x 0.3266701E-15 GRAD(Rho)y -0.3117894E-15 GRAD(Rho)z -0.1214306E-16 Laplacian 0.7822840E+00 (-1/4)Del**2(Rho)) -0.1955710E+00 Diamond 0.2331031E+01 Metallicity 0.6433697E+01 Ellipticity 0.2894452E-02 Gb(Abramov) 0.3400881E+00 Vb(Abramov) -0.4846051E+00 Hb(Abramov) -0.1445171E+00 Ex_ueg -0.9103769E-01 Ec_ueg -0.1225722E-01 Delta_ex -0.9108926E-01 Delta_ec 0.1802193E-01 Delta_et -0.2478320E+00 Pxc 0.7427270E+01 Qxc -0.5054356E+01 3,-1 176 3 -1 3.215472 -3.244279 -0.070062 Rho 0.2318634E+00 |GRAD(Rho)| 0.6755276E-15 GRAD(Rho)x -0.2866631E-15 GRAD(Rho)y 0.5471426E-15 GRAD(Rho)z 0.2734900E-15 Laplacian 0.8467842E+00 (-1/4)Del**2(Rho)) -0.2116961E+00 Diamond 0.2876218E+01 Metallicity 0.7121326E+01 Ellipticity 0.1755006E-02 Gb(Abramov) 0.3923902E+00 Vb(Abramov) -0.5730842E+00 Hb(Abramov) -0.1806941E+00 Ex_ueg -0.1052030E+00 Ec_ueg -0.1387847E-01 Delta_ex -0.1014106E+00 Delta_ec 0.1892820E-01 Delta_et -0.2619719E+00 Pxc 0.7580302E+01 Qxc -0.5357645E+01 3,-1 177 3 -1 -2.866380 -0.596947 1.861568 Rho 0.1231656E+00 |GRAD(Rho)| 0.3114188E-14 GRAD(Rho)x -0.2551595E-14 GRAD(Rho)y 0.3243120E-15 GRAD(Rho)z 0.1755662E-14 Laplacian 0.5234348E+00 (-1/4)Del**2(Rho)) -0.1308587E+00 Diamond 0.8582726E+00 Metallicity 0.4013895E+01 Ellipticity 0.2224277E-01 Gb(Abramov) 0.1747813E+00 Vb(Abramov) -0.2187039E+00 Hb(Abramov) -0.4392261E-01 Ex_ueg -0.4525891E-01 Ec_ueg -0.6748567E-02 Delta_ex -0.5386230E-01 Delta_ec 0.1441926E-01 Delta_et -0.1870073E+00 Pxc 0.6706447E+01 Qxc -0.3735441E+01 3,-1 178 3 -1 -2.000109 -0.891522 -3.017383 Rho 0.1257628E+00 |GRAD(Rho)| 0.2230206E-15 GRAD(Rho)x -0.1138887E-15 GRAD(Rho)y 0.1820782E-15 GRAD(Rho)z -0.6012579E-16 Laplacian 0.4902703E+00 (-1/4)Del**2(Rho)) -0.1225676E+00 Diamond 0.8032039E+00 Metallicity 0.4437087E+01 Ellipticity 0.3277049E-01 Gb(Abramov) 0.1723522E+00 Vb(Abramov) -0.2221369E+00 Hb(Abramov) -0.4978464E-01 Ex_ueg -0.4653589E-01 Ec_ueg -0.6910555E-02 Delta_ex -0.5043460E-01 Delta_ec 0.1296546E-01 Delta_et -0.1679578E+00 Pxc 0.6734031E+01 Qxc -0.3889920E+01 3,-1 179 3 -1 0.452809 -0.454669 0.468709 Rho 0.1836093E+00 |GRAD(Rho)| 0.3662691E-15 GRAD(Rho)x 0.5551115E-16 GRAD(Rho)y -0.2775558E-15 GRAD(Rho)z 0.2324529E-15 Laplacian 0.4880340E+00 (-1/4)Del**2(Rho)) -0.1220085E+00 Diamond 0.1285721E+01 Metallicity 0.8375053E+01 Ellipticity 0.4332500E-02 Gb(Abramov) 0.2516436E+00 Vb(Abramov) -0.3812787E+00 Hb(Abramov) -0.1296351E+00 Ex_ueg -0.7707461E-01 Ec_ueg -0.1062870E-01 Delta_ex -0.5530664E-01 Delta_ec 0.1209545E-01 Delta_et -0.1660285E+00 Pxc 0.7251556E+01 Qxc -0.4572516E+01 3,-1 180 3 -1 2.810170 1.850342 0.545431 Rho 0.1460674E+00 |GRAD(Rho)| 0.5345514E-15 GRAD(Rho)x -0.1355320E-15 GRAD(Rho)y 0.5058616E-15 GRAD(Rho)z 0.1071463E-15 Laplacian 0.5975920E+00 (-1/4)Del**2(Rho)) -0.1493980E+00 Diamond 0.1167646E+01 Metallicity 0.4671583E+01 Ellipticity 0.1356594E-01 Gb(Abramov) 0.2159195E+00 Vb(Abramov) -0.2824411E+00 Hb(Abramov) -0.6652153E-01 Ex_ueg -0.5681412E-01 Ec_ueg -0.8192251E-02 Delta_ex -0.6370363E-01 Delta_ec 0.1516388E-01 Delta_et -0.2008861E+00 Pxc 0.6935105E+01 Qxc -0.4201010E+01 3,-1 181 3 -1 3.015953 2.041201 -0.849968 Rho 0.1382226E+00 |GRAD(Rho)| 0.5162453E-15 GRAD(Rho)x -0.8214187E-16 GRAD(Rho)y 0.3162076E-15 GRAD(Rho)z 0.3997182E-15 Laplacian 0.5376484E+00 (-1/4)Del**2(Rho)) -0.1344121E+00 Diamond 0.9844386E+00 Metallicity 0.4736017E+01 Ellipticity 0.1889872E-01 Gb(Abramov) 0.1957044E+00 Vb(Abramov) -0.2569967E+00 Hb(Abramov) -0.6129229E-01 Ex_ueg -0.5278256E-01 Ec_ueg -0.7693908E-02 Delta_ex -0.5656032E-01 Delta_ec 0.1385502E-01 Delta_et -0.1821202E+00 Pxc 0.6860306E+01 Qxc -0.4082296E+01 3,-1 182 3 -1 3.205298 3.262392 0.067949 Rho 0.2303079E+00 |GRAD(Rho)| 0.1547152E-13 GRAD(Rho)x 0.1386391E-13 GRAD(Rho)y 0.5846885E-14 GRAD(Rho)z -0.3601923E-14 Laplacian 0.8434172E+00 (-1/4)Del**2(Rho)) -0.2108543E+00 Diamond 0.2840617E+01 Metallicity 0.7069987E+01 Ellipticity 0.1816119E-02 Gb(Abramov) 0.3890257E+00 Vb(Abramov) -0.5671972E+00 Hb(Abramov) -0.1781714E+00 Ex_ueg -0.1042630E+00 Ec_ueg -0.1377170E-01 Delta_ex -0.1008248E+00 Delta_ec 0.1887934E-01 Delta_et -0.2611726E+00 Pxc 0.7570815E+01 Qxc -0.5340486E+01 3,-1 183 3 -1 -3.238771 -3.293957 0.062112 Rho 0.2075356E+00 |GRAD(Rho)| 0.1267969E-14 GRAD(Rho)x 0.8307699E-15 GRAD(Rho)y 0.9516042E-15 GRAD(Rho)z -0.1096128E-15 Laplacian 0.7800903E+00 (-1/4)Del**2(Rho)) -0.1950226E+00 Diamond 0.2318184E+01 Metallicity 0.6426225E+01 Ellipticity 0.3522534E-02 Gb(Abramov) 0.3388915E+00 Vb(Abramov) -0.4827605E+00 Hb(Abramov) -0.1438690E+00 Ex_ueg -0.9074900E-01 Ec_ueg -0.1222388E-01 Delta_ex -0.9078046E-01 Delta_ec 0.1798721E-01 Delta_et -0.2473271E+00 Pxc 0.7423909E+01 Qxc -0.5046946E+01 3,-1 184 3 -1 -3.844288 4.240039 -0.873373 Rho 0.3374518E+00 |GRAD(Rho)| 0.9895369E-15 GRAD(Rho)x 0.3081156E-15 GRAD(Rho)y -0.8154916E-15 GRAD(Rho)z -0.4682110E-15 Laplacian -0.1712986E+01 (-1/4)Del**2(Rho)) 0.4282466E+00 Diamond 0.6290825E+01 Metallicity -0.6579793E+01 Ellipticity 0.1265519E-03 Gb(Abramov) 0.1841313E+00 Vb(Abramov) -0.7965091E+00 Hb(Abramov) -0.6123778E+00 Ex_ueg -0.1735138E+00 Ec_ueg -0.2143694E-01 Delta_ex 0.1744745E+00 Delta_ec 0.5923076E-01 Delta_et -0.1438964E+01 Pxc 0.8094151E+01 Qxc 0.2945673E+01 3,-1 185 3 -1 -3.046758 1.991017 0.877000 Rho 0.1313558E+00 |GRAD(Rho)| 0.1998904E-15 GRAD(Rho)x -0.5839784E-16 GRAD(Rho)y 0.1714395E-16 GRAD(Rho)z 0.1903995E-15 Laplacian 0.5390419E+00 (-1/4)Del**2(Rho)) -0.1347605E+00 Diamond 0.9395429E+00 Metallicity 0.4339163E+01 Ellipticity 0.1092955E-01 Gb(Abramov) 0.1872983E+00 Vb(Abramov) -0.2398361E+00 Hb(Abramov) -0.5253779E-01 Ex_ueg -0.4931556E-01 Ec_ueg -0.7260925E-02 Delta_ex -0.5614320E-01 Delta_ec 0.1429999E-01 Delta_et -0.1869340E+00 Pxc 0.6791912E+01 Qxc -0.3926099E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 135 129 122 153 149 127 108 133 148 109 104 128 139 131 113 150 154 57 123 137 138 107 112 140 155 165 161 168 160 176 162 180 167 181 166 182 103 77 91 185 95 58 55 81 85 80 84 183 98 74 99 68 178 67 69 177 97 70 61 65 145 174 130 163 124 175 159 169 156 171 158 172 179 116 143 121 63 173 126 184 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 18 26 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 20 28 54 2.422137 1.884212 1.911847 1.935612 1.997275 1.758083 2.411326 1.910377 1.939306 1.952115 1.917500 1.757107 2.427275 2.026352 2.014907 1.988768 2.017570 1.797425 2.484252 1.980271 2.050891 1.972558 2.037677 1.798366 2.446788 1.893897 1.972075 1.899204 1.950427 1.756550 2.415819 1.927693 1.898028 1.959213 1.945669 1.759145 2.288393 2.051653 1.926928 1.975124 1.929820 1.965930 2.443982 1.951088 2.013388 2.019083 2.053048 1.799214 2.395834 1.891472 1.908604 1.941959 1.995682 1.757330 2.478043 1.989784 2.061001 1.995570 2.000650 1.797577 2.436901 2.000024 1.949594 2.068373 2.027991 1.798311 2.427940 2.037387 2.020888 2.002530 1.975520 1.798503 1.704625 1.706198 1.701373 1.712926 3.325343 3.311602 3.264836 0.975995 2.423763 1.884509 1.912187 1.936137 1.997827 1.758094 2.413022 1.910740 1.939740 1.952653 1.918002 1.757119 2.429207 2.026571 2.015031 1.989066 2.017925 1.797433 2.485999 1.980447 2.051093 1.972847 2.037861 1.798373 2.448372 1.894225 1.972503 1.899620 1.951018 1.756560 2.417376 1.928025 1.898352 1.959731 1.946180 1.759156 2.290206 2.051878 1.927231 1.975469 1.930146 1.967145 2.445994 1.951281 2.013664 2.019357 2.053327 1.799222 2.397615 1.891765 1.908941 1.942483 1.996253 1.757340 2.479820 1.989965 2.061193 1.995705 2.000971 1.797586 2.438962 2.000319 1.949781 2.068670 2.028266 1.798316 2.429915 2.037589 2.021174 2.002882 1.975802 1.798512 1.704631 1.706201 1.701376 1.712945 3.333428 3.316855 3.268219 0.976122 31 27 26 25 24 24 28 27 27 26 26 23 31 27 27 24 27 24 29 26 28 27 25 28 27 26 25 26 25 25 27 29 27 28 25 24 27 24 26 29 28 27 30 28 26 27 26 24 28 28 27 27 28 23 31 27 27 26 31 25 30 28 29 26 27 25 27 29 26 29 24 24 25 21 22 23 35 35 35 21 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 W W Ta Ta W W Ta Ta W Ta Ta 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 As H 2.4251 2.4258 2.2020 2.1836 2.4211 2.4151 2.3755 2.2022 2.4271 2.1757 2.2028 2.1998 -1.1103 -1.1185 -1.1151 -1.1185 -1.0186 -0.9800 -0.9727 -0.9927 -0.9840 -1.0194 -0.9854 -0.9785 -1.0055 -0.9876 -0.9828 -0.9746 -1.0013 -1.0164 -1.0200 -1.0363 -1.0158 -1.0408 -1.0452 -0.9976 -1.0082 -1.0288 -0.9996 -1.0174 -0.8625 -0.8579 -0.9544 -0.9594 -0.8574 -0.8669 -0.8320 -0.9582 -0.8596 -0.9574 -0.9553 -0.9553 2.5144 0.2778 2.1072 2.1046 2.1109 2.1180 2.1054 2.1140 2.1026 2.1081 2.1051 2.1228 2.1083 2.1105 1.9382 1.9371 1.9378 1.9356 1.9224 1.9284 1.9301 1.9262 1.9275 1.9226 1.9276 1.9290 1.9270 1.9273 1.9279 1.9281 1.9360 1.9338 1.9327 1.9301 1.9339 1.9291 1.9278 1.9361 1.9349 1.9300 1.9356 1.9332 1.9555 1.9555 1.9395 1.9393 1.9561 1.9548 1.8713 1.9390 1.9557 1.9396 1.9394 1.9391 0.8345 0.6116 6.1023 6.1001 6.0818 6.0862 6.1020 6.1059 6.0776 6.0800 6.1008 6.0903 6.0807 6.0795 5.1349 5.1435 5.1400 5.1467 5.0722 5.0245 5.0155 5.0401 5.0299 5.0722 5.0313 5.0224 5.0539 5.0335 5.0285 5.0181 5.0370 5.0552 5.0603 5.0809 5.0547 5.0861 5.0925 5.0323 5.0459 5.0727 5.0352 5.0571 4.8749 4.8701 4.9890 4.9944 4.8689 4.8802 4.9324 4.9934 4.8717 4.9920 4.9901 4.9905 1.1112 0.1106 3.3359 3.3399 2.5711 2.5781 3.3420 3.3355 2.4074 2.5754 3.3375 2.5770 2.5738 2.5758 0.0372 0.0379 0.0372 0.0363 0.0240 0.0272 0.0271 0.0265 0.0266 0.0245 0.0266 0.0271 0.0246 0.0269 0.0265 0.0284 0.0283 0.0274 0.0270 0.0253 0.0273 0.0257 0.0250 0.0291 0.0275 0.0262 0.0288 0.0272 0.0321 0.0323 0.0259 0.0258 0.0324 0.0319 0.0283 0.0257 0.0322 0.0259 0.0258 0.0258 10.5399 0.0000 14.0296 14.0296 14.0342 14.0341 14.0295 14.0295 14.0369 14.0344 14.0295 14.0341 14.0344 14.0344 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 W W Ta Ta W W Ta Ta W Ta Ta 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 As H 2.495721 2.498035 2.360578 2.353453 2.495867 2.494805 2.420148 2.358663 2.495711 2.354697 2.360517 2.361045 -1.092001 -1.093511 -1.095947 -1.096463 -1.056167 -1.009803 -1.005980 -1.023509 -1.014198 -1.053763 -1.016916 -1.011118 -1.029540 -1.016844 -1.018638 -0.997836 -1.009262 -1.021780 -1.028682 -1.047750 -1.020207 -1.056876 -1.066375 -0.997220 -1.016278 -1.046226 -0.999241 -1.026136 -0.913635 -0.908905 -1.042608 -1.050803 -0.906937 -0.919985 -0.644417 -1.048681 -0.909565 -1.048408 -1.044630 -1.045529 2.318308 0.084822 1.927776 1.925794 1.837522 1.836422 1.926728 1.926225 1.753992 1.834777 1.926543 1.837467 1.838811 1.838872 -0.712892 -0.712618 -0.717720 -0.704167 -0.812546 -0.772077 -0.749760 -0.778191 -0.773810 -0.813080 -0.778393 -0.780145 -0.753315 -0.775587 -0.778194 -0.743487 -0.857209 -0.866075 -0.868029 -0.865407 -0.862594 -0.902174 -0.905597 -0.833585 -0.863548 -0.871604 -0.831401 -0.869365 -0.836620 -0.831060 -0.985718 -0.997263 -0.827811 -0.845223 -0.861950 -0.993836 -0.830164 -0.995473 -0.989363 -0.990309 1.741271 0.385159 2.044636 2.041127 1.958918 1.961167 2.040137 2.046331 1.940839 1.957300 2.043001 1.962068 1.960561 1.961038 -0.795971 -0.791725 -0.793902 -0.789649 -0.906388 -0.853332 -0.844694 -0.861298 -0.856934 -0.903331 -0.856231 -0.857793 -0.870010 -0.856533 -0.859216 -0.828623 -0.882620 -0.901858 -0.904749 -0.910936 -0.897615 -0.939989 -0.950559 -0.867699 -0.891667 -0.912723 -0.867862 -0.908569 -0.799183 -0.795277 -0.958527 -0.968721 -0.792665 -0.807200 -0.846574 -0.968147 -0.792325 -0.966834 -0.962725 -0.963943 1.668017 0.399459 -3.82377522 1.90369970 -6.12367898 7.46624228 1.84984105 -41.19701259 24.50719553 26.06203716 -11.21065715 -27.91187821 -383.6353 434.0303 -2.2919 -443.0449 -95.5312 -490.4730 Jun21-2024 12:57:34 Nodes: 1 Procs: 1 Jun21-2024 12:57:46 Nodes: 1 Procs: 1 0 Jun21-2024 12:57:59 Nodes: 1 Procs: 1 Jun21-2024 12:58:01 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 12:58:05 Nodes: 1 Procs: 1 Jun21-2024 12:58:07 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 12:58:17 Nodes: 1 Procs: 1 Jun21-2024 12:58:23 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 12:58:25 Nodes: 1 Procs: 1 Jun21-2024 12:58:35 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 12:58:42 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -17.62830510 -17.90662236 -17.92281041 -18.00711023 -18.01488427 -18.01910368 -18.02165304 -18.02307772 -18.02332836 -18.02376470 -18.02401333 -18.02431827 -18.02441555 -18.02445327 -18.02447686 -18.02449576 -18.02452377 -18.02454676 -18.02455263 GEOMETRY CONVERGED