ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 03:41:02 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.05 2.43 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 Jun11-2024 03:41:02 Nodes: 1 Procs: 1 Jun11-2024 03:41:05 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 03:41:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.50 0.07 2.18 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 Jun11-2024 03:41:02 Nodes: 1 Procs: 1 Jun11-2024 03:41:05 Nodes: 1 Procs: 1 0 Jun11-2024 03:41:09 Nodes: 1 Procs: 1 Jun11-2024 03:41:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 03:41:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.60 0.07 2.35 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun11-2024 03:41:02 Nodes: 1 Procs: 1 Jun11-2024 03:41:05 Nodes: 1 Procs: 1 0 Jun11-2024 03:41:09 Nodes: 1 Procs: 1 Jun11-2024 03:41:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 03:41:14 Nodes: 1 Procs: 1 Jun11-2024 03:41:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 03:41:19 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 1.46 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 Jun11-2024 03:41:02 Nodes: 1 Procs: 1 Jun11-2024 03:41:05 Nodes: 1 Procs: 1 0 Jun11-2024 03:41:09 Nodes: 1 Procs: 1 Jun11-2024 03:41:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 03:41:14 Nodes: 1 Procs: 1 Jun11-2024 03:41:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 03:41:19 Nodes: 1 Procs: 1 Jun11-2024 03:41:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 03:41:23 Hydrogen (TZP) c2-16 c2-16 c2-16 c2-16 c2-16 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.09 3.37 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 Jun11-2024 03:41:02 Nodes: 1 Procs: 1 Jun11-2024 03:41:05 Nodes: 1 Procs: 1 0 Jun11-2024 03:41:09 Nodes: 1 Procs: 1 Jun11-2024 03:41:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 03:41:14 Nodes: 1 Procs: 1 Jun11-2024 03:41:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 03:41:19 Nodes: 1 Procs: 1 Jun11-2024 03:41:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun11-2024 03:41:23 Nodes: 1 Procs: 1 Jun11-2024 03:41:26 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 03:41:32 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2393.577600000001 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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 Jun11-2024 03:41:26 1 1 Tungsten TZP 4d t21.Mo ADF 2019.304 Jun11-2024 03:41:16 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun11-2024 03:41:21 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun11-2024 03:41:11 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun11-2024 03:41:05 1 1 Hydrogen TZP 1 1 -15.89157155 0.23041077 0.00100000 F 0.10335575 0.00066667 F 0.23041077 0.10335575 0.12586223 0.01000000 F 0.04561248 0.00666667 F Cartesian 2393.577600000001 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246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 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 -7.747 -7.727 -7.594 -7.562 -7.544 -7.529 -7.514 -7.484 -7.234 -7.223 -5.096 -4.969 -4.780 -4.398 -4.270 -4.217 -4.116 -4.036 -3.982 -3.948 A A A A A A A A A A A A A A A A A A A A 0.00000000080566 0.00042753054163 0.00025253215162 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 74 42 42 42 42 42 42 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 0.086514 -2.516306 2.563026 -0.074544 -2.541980 -2.557363 2.540450 -2.594466 0.136563 -2.468207 2.524133 0.072260 -2.541083 -2.554920 -0.124994 -2.592035 0.111136 2.529661 0.181167 2.522403 -2.633187 -0.117900 2.535324 2.619316 2.518666 2.590709 -0.076680 -2.541035 -0.146310 -2.606027 2.589046 -0.108091 2.543367 2.623015 0.085981 -2.509666 0.960714 -0.971989 0.969794 -0.972585 -0.987038 -0.995789 0.990937 0.981525 -0.991237 -1.002894 0.989085 0.933879 -3.005572 -1.150424 1.149148 3.015614 -1.194039 -1.153243 -2.982094 1.167843 -1.083541 3.012298 1.155332 1.131635 1.136670 -1.141151 -2.990789 1.184311 1.178593 2.998040 -1.177283 1.160635 -2.981449 -1.156151 -1.124779 2.994762 -1.128388 2.991871 -1.120530 -1.151210 -2.987131 1.146736 1.151217 3.016778 1.163443 1.153244 -3.015716 -1.153759 3.419742 -1.529491 1.495434 -3.415752 -1.492772 -1.507973 3.406574 1.523620 -1.543221 -3.386279 1.539985 1.524555 1.521134 -1.498834 3.399732 1.521711 1.498960 -3.464019 -1.510292 1.496578 3.427888 -1.533089 -1.524658 -3.446651 -1.518896 -3.395429 -1.536129 -1.511883 3.382228 1.504423 1.502272 -3.410180 1.530339 1.515698 3.414716 -1.549730 -0.233764 -3.704585 3.766321 0.238218 -3.733671 -3.759692 -0.194952 3.724146 -3.791680 0.184713 3.740370 3.792033 3.726814 -3.799622 -0.178012 3.718839 3.775391 0.216229 -3.749859 3.836975 -0.217641 -3.740579 -3.748332 0.190290 -3.763562 0.228029 -3.740720 -3.788169 -0.204138 3.725084 3.785442 0.209581 3.722782 3.788640 -0.239018 -3.719169 0.005676 0.006199 -0.030232 -4.371176 3.840946 -0.977316 1 3 -3 0.086514 -2.516306 2.563026 Rho 0.4361414E+07 3,-3 2 3 -3 -0.074544 -2.541980 -2.557363 Rho 0.4361413E+07 3,-3 3 3 -3 2.540450 -2.594466 0.136563 Rho 0.4361414E+07 3,-3 4 3 -3 -2.468207 2.524133 0.072260 Rho 0.4361413E+07 3,-3 5 3 -3 -2.541083 -2.554920 -0.124994 Rho 0.4361414E+07 3,-3 6 3 -3 -2.592035 0.111136 2.529661 Rho 0.4361414E+07 3,-3 7 3 -3 0.181167 2.522403 -2.633187 Rho 0.1240647E+06 3,-3 8 3 -3 -0.117900 2.535324 2.619316 Rho 0.1240647E+06 3,-3 9 3 -3 2.518666 2.590709 -0.076680 Rho 0.1240647E+06 3,-3 10 3 -3 -2.541035 -0.146310 -2.606027 Rho 0.1240647E+06 3,-3 11 3 -3 2.589046 -0.108091 2.543367 Rho 0.1240647E+06 3,-3 12 3 -3 2.623015 0.085981 -2.509666 Rho 0.1240647E+06 3,-3 13 3 -3 0.960714 -0.971989 0.969794 Rho 0.3190254E+03 3,-3 14 3 -3 -0.972585 -0.987038 -0.995789 Rho 0.3190172E+03 3,-3 15 3 -3 0.990937 0.981525 -0.991237 Rho 0.3190460E+03 3,-3 16 3 -3 -1.002894 0.989085 0.933879 Rho 0.3190127E+03 3,-3 17 3 -3 -3.005572 -1.150424 1.149148 Rho 0.3188739E+03 3,-3 18 3 -3 3.015614 -1.194039 -1.153243 Rho 0.3189567E+03 3,-3 19 3 -3 -2.982094 1.167843 -1.083541 Rho 0.3190200E+03 3,-3 20 3 -3 3.012298 1.155332 1.131635 Rho 0.3190276E+03 3,-3 21 3 -3 1.136670 -1.141151 -2.990789 Rho 0.3189478E+03 3,-3 22 3 -3 1.184311 1.178593 2.998040 Rho 0.3190266E+03 3,-3 23 3 -3 -1.177283 1.160635 -2.981449 Rho 0.3190105E+03 3,-3 24 3 -3 -1.156151 -1.124779 2.994762 Rho 0.3188768E+03 3,-3 25 3 -3 -1.128388 2.991871 -1.120530 Rho 0.3190053E+03 3,-3 26 3 -3 -1.151210 -2.987131 1.146736 Rho 0.3188729E+03 3,-3 27 3 -3 1.151217 3.016778 1.163443 Rho 0.3190410E+03 3,-3 28 3 -3 1.153244 -3.015716 -1.153759 Rho 0.3188750E+03 3,-3 29 3 -3 3.419742 -1.529491 1.495434 Rho 0.3190565E+03 3,-3 30 3 -3 -3.415752 -1.492772 -1.507973 Rho 0.3190636E+03 3,-3 31 3 -3 3.406574 1.523620 -1.543221 Rho 0.3191491E+03 3,-3 32 3 -3 -3.386279 1.539985 1.524555 Rho 0.3190173E+03 3,-3 33 3 -3 1.521134 -1.498834 3.399732 Rho 0.3190596E+03 3,-3 34 3 -3 1.521711 1.498960 -3.464019 Rho 0.3191559E+03 3,-3 35 3 -3 -1.510292 1.496578 3.427888 Rho 0.3190645E+03 3,-3 36 3 -3 -1.533089 -1.524658 -3.446651 Rho 0.3190782E+03 3,-3 37 3 -3 -1.518896 -3.395429 -1.536129 Rho 0.3189961E+03 3,-3 38 3 -3 -1.511883 3.382228 1.504423 Rho 0.3190819E+03 3,-3 39 3 -3 1.502272 -3.410180 1.530339 Rho 0.3189949E+03 3,-3 40 3 -3 1.515698 3.414716 -1.549730 Rho 0.3191359E+03 3,-3 41 3 -3 -0.233764 -3.704585 3.766321 Rho 0.3194245E+03 3,-3 42 3 -3 0.238218 -3.733671 -3.759692 Rho 0.3194245E+03 3,-3 43 3 -3 -0.194952 3.724146 -3.791680 Rho 0.3195784E+03 3,-3 44 3 -3 0.184713 3.740370 3.792033 Rho 0.3195858E+03 3,-3 45 3 -3 3.726814 -3.799622 -0.178012 Rho 0.3194308E+03 3,-3 46 3 -3 3.718839 3.775391 0.216229 Rho 0.3195732E+03 3,-3 47 3 -3 -3.749859 3.836975 -0.217641 Rho 0.3186818E+03 3,-3 48 3 -3 -3.740579 -3.748332 0.190290 Rho 0.3194249E+03 3,-3 49 3 -3 -3.763562 0.228029 -3.740720 Rho 0.3195835E+03 3,-3 50 3 -3 -3.788169 -0.204138 3.725084 Rho 0.3194294E+03 3,-3 51 3 -3 3.785442 0.209581 3.722782 Rho 0.3195780E+03 3,-3 52 3 -3 3.788640 -0.239018 -3.719169 Rho 0.3195757E+03 3,-3 53 3 -3 0.005676 0.006199 -0.030232 Rho 0.4276079E+05 3,-3 54 3 -3 -4.371176 3.840946 -0.977316 Rho 0.4433775E+00 3,-3 55 3 -1 -1.719033 -1.732462 -0.550779 Rho 0.4818750E-01 |GRAD(Rho)| 0.1139905E-13 GRAD(Rho)x 0.7746546E-14 GRAD(Rho)y 0.8102311E-14 GRAD(Rho)z -0.2069274E-14 Laplacian 0.1974748E+00 (-1/4)Del**2(Rho)) -0.4936869E-01 Diamond 0.9411706E-01 Metallicity 0.2226686E+01 Ellipticity 0.1290775E-01 Gb(Abramov) 0.5123389E-01 Vb(Abramov) -0.5309908E-01 Hb(Abramov) -0.1865195E-02 Ex_ueg -0.1295083E-01 Ec_ueg -0.2314933E-02 Delta_ex -0.1605519E-01 Delta_ec 0.5797677E-02 Delta_et -0.6052480E-01 Pxc 0.5594472E+01 Qxc -0.2769245E+01 3,-1 56 3 +1 -2.163618 -1.102196 -1.367726 Rho 0.2854372E-01 |GRAD(Rho)| 0.1809200E-16 GRAD(Rho)x 0.1338664E-16 GRAD(Rho)y 0.7879112E-17 GRAD(Rho)z -0.9275668E-17 Laplacian 0.1162118E+00 (-1/4)Del**2(Rho)) -0.2905295E-01 Diamond 0.1878457E-01 Metallicity 0.1580813E+01 Ellipticity -0.4598543E+01 Gb(Abramov) 0.2702318E-01 Vb(Abramov) -0.2499341E-01 Hb(Abramov) 0.2029768E-02 Ex_ueg -0.6442669E-02 Ec_ueg -0.1268738E-02 Delta_ex -0.7538575E-02 Delta_ec 0.2059892E-02 Delta_et -0.1876396E-01 Pxc 0.5078013E+01 Qxc -0.3659694E+01 3,+1 57 3 +1 -1.285641 -1.181370 -2.197528 Rho 0.2792408E-01 |GRAD(Rho)| 0.3364053E-16 GRAD(Rho)x 0.2943971E-17 GRAD(Rho)y -0.1243694E-16 GRAD(Rho)z 0.3111817E-16 Laplacian 0.1135883E+00 (-1/4)Del**2(Rho)) -0.2839708E-01 Diamond 0.1874899E-01 Metallicity 0.1559233E+01 Ellipticity -0.7469845E+01 Gb(Abramov) 0.2631100E-01 Vb(Abramov) -0.2422492E-01 Hb(Abramov) 0.2086082E-02 Ex_ueg -0.6256868E-02 Ec_ueg -0.1237035E-02 Delta_ex -0.7412890E-02 Delta_ec 0.2169818E-02 Delta_et -0.1963768E-01 Pxc 0.5057956E+01 Qxc -0.3416365E+01 3,+1 58 3 -1 -1.723117 -0.556451 -1.765224 Rho 0.4401528E-01 |GRAD(Rho)| 0.1710525E-15 GRAD(Rho)x 0.1422842E-15 GRAD(Rho)y -0.1681678E-17 GRAD(Rho)z 0.9492804E-16 Laplacian 0.1872245E+00 (-1/4)Del**2(Rho)) -0.4680612E-01 Diamond 0.8155214E-01 Metallicity 0.2019558E+01 Ellipticity 0.1343781E-01 Gb(Abramov) 0.4695869E-01 Vb(Abramov) -0.4711126E-01 Hb(Abramov) -0.1525737E-03 Ex_ueg -0.1147774E-01 Ec_ueg -0.2086834E-02 Delta_ex -0.1501549E-01 Delta_ec 0.5742946E-02 Delta_et -0.5858554E-01 Pxc 0.5500074E+01 Qxc -0.2614597E+01 3,-1 59 3 -1 -1.760901 0.542694 1.695039 Rho 0.4457847E-01 |GRAD(Rho)| 0.1236559E-15 GRAD(Rho)x -0.1165505E-15 GRAD(Rho)y -0.2340585E-16 GRAD(Rho)z 0.3404310E-16 Laplacian 0.1807772E+00 (-1/4)Del**2(Rho)) -0.4519429E-01 Diamond 0.7735590E-01 Metallicity 0.2136379E+01 Ellipticity 0.1685009E-01 Gb(Abramov) 0.4622155E-01 Vb(Abramov) -0.4724880E-01 Hb(Abramov) -0.1027256E-02 Ex_ueg -0.1167397E-01 Ec_ueg -0.2117459E-02 Delta_ex -0.1440557E-01 Delta_ec 0.5297167E-02 Delta_et -0.5417609E-01 Pxc 0.5513198E+01 Qxc -0.2719486E+01 3,-1 60 3 +3 0.047650 2.316961 -0.011216 Rho 0.4790946E-02 |GRAD(Rho)| 0.2641262E-17 GRAD(Rho)x 0.1041535E-17 GRAD(Rho)y -0.1989392E-17 GRAD(Rho)z -0.1390608E-17 Laplacian 0.1975956E-01 (-1/4)Del**2(Rho)) -0.4939890E-02 Diamond 0.1872743E-03 Metallicity 0.4748299E+00 Ellipticity -0.4099062E+00 Gb(Abramov) 0.3684195E-02 Vb(Abramov) -0.2428499E-02 Hb(Abramov) 0.1255695E-02 Ex_ueg -0.5965042E-03 Ec_ueg -0.1379275E-03 Delta_ex -0.7307961E-03 Delta_ec 0.1872980E-03 Delta_et -0.1180841E-02 Pxc 0.4324766E+01 Qxc -0.3901782E+01 3,+3 61 3 +1 -2.914623 -0.219915 -0.217720 Rho 0.5517722E-02 |GRAD(Rho)| 0.6123657E-17 GRAD(Rho)x -0.3186244E-18 GRAD(Rho)y 0.3239494E-17 GRAD(Rho)z -0.5186842E-17 Laplacian 0.2341881E-01 (-1/4)Del**2(Rho)) -0.5854702E-02 Diamond 0.5273340E-03 Metallicity 0.5069691E+00 Ellipticity -0.1749640E+01 Gb(Abramov) 0.4397826E-02 Vb(Abramov) -0.2940951E-02 Hb(Abramov) 0.1456875E-02 Ex_ueg -0.7201089E-03 Ec_ueg -0.1692601E-03 Delta_ex -0.1108571E-02 Delta_ec 0.5976405E-03 Delta_et -0.3398897E-02 Pxc 0.4254452E+01 Qxc -0.1854913E+01 3,+1 62 3 +1 -0.558180 -0.496767 1.639747 Rho 0.8721319E-02 |GRAD(Rho)| 0.1292809E-12 GRAD(Rho)x 0.1804439E-13 GRAD(Rho)y -0.1211806E-12 GRAD(Rho)z 0.4127005E-13 Laplacian 0.3405853E-01 (-1/4)Del**2(Rho)) -0.8514632E-02 Diamond 0.9247965E-03 Metallicity 0.7476372E+00 Ellipticity -0.1445114E+01 Gb(Abramov) 0.6737397E-02 Vb(Abramov) -0.4960162E-02 Hb(Abramov) 0.1777235E-02 Ex_ueg -0.1325851E-02 Ec_ueg -0.3104115E-03 Delta_ex -0.1559589E-02 Delta_ec 0.4759242E-03 Delta_et -0.3267351E-02 Pxc 0.4271268E+01 Qxc -0.3276970E+01 3,+1 63 3 +1 -0.535003 -1.657364 0.511850 Rho 0.9076095E-02 |GRAD(Rho)| 0.2231636E-16 GRAD(Rho)x -0.1035413E-16 GRAD(Rho)y -0.1749684E-16 GRAD(Rho)z 0.9201762E-17 Laplacian 0.3560590E-01 (-1/4)Del**2(Rho)) -0.8901475E-02 Diamond 0.1011412E-02 Metallicity 0.7642866E+00 Ellipticity -0.1446029E+01 Gb(Abramov) 0.7068196E-02 Vb(Abramov) -0.5234918E-02 Hb(Abramov) 0.1833279E-02 Ex_ueg -0.1398247E-02 Ec_ueg -0.3263319E-03 Delta_ex -0.1643105E-02 Delta_ec 0.4904898E-03 Delta_et -0.3407580E-02 Pxc 0.4284738E+01 Qxc -0.3349928E+01 3,+1 64 3 -1 -2.935324 1.987826 0.843141 Rho 0.1312654E+00 |GRAD(Rho)| 0.5545139E-14 GRAD(Rho)x 0.1508322E-14 GRAD(Rho)y -0.4489566E-14 GRAD(Rho)z 0.2883978E-14 Laplacian 0.5103499E+00 (-1/4)Del**2(Rho)) -0.1275875E+00 Diamond 0.8797002E+00 Metallicity 0.4577858E+01 Ellipticity 0.2067642E-01 Gb(Abramov) 0.1824045E+00 Vb(Abramov) -0.2372216E+00 Hb(Abramov) -0.5481706E-01 Ex_ueg -0.4927033E-01 Ec_ueg -0.7255247E-02 Delta_ex -0.5303774E-01 Delta_ec 0.1334775E-01 Delta_et -0.1741052E+00 Pxc 0.6790993E+01 Qxc -0.3973534E+01 3,-1 65 3 +1 -0.534766 0.541464 -1.667194 Rho 0.8968544E-02 |GRAD(Rho)| 0.4139415E-15 GRAD(Rho)x -0.3739333E-15 GRAD(Rho)y -0.1220403E-15 GRAD(Rho)z -0.1289483E-15 Laplacian 0.3451827E-01 (-1/4)Del**2(Rho)) -0.8629567E-02 Diamond 0.1008103E-02 Metallicity 0.7728598E+00 Ellipticity -0.1517859E+01 Gb(Abramov) 0.6864619E-02 Vb(Abramov) -0.5099671E-02 Hb(Abramov) 0.1764948E-02 Ex_ueg -0.1376198E-02 Ec_ueg -0.3214998E-03 Delta_ex -0.1606569E-02 Delta_ec 0.5085236E-03 Delta_et -0.3495114E-02 Pxc 0.4280557E+01 Qxc -0.3159281E+01 3,+1 66 3 +1 -2.165631 1.088938 1.355599 Rho 0.3061997E-01 |GRAD(Rho)| 0.2001116E-13 GRAD(Rho)x -0.1073190E-13 GRAD(Rho)y -0.9026954E-14 GRAD(Rho)z 0.1427539E-13 Laplacian 0.1235083E+00 (-1/4)Del**2(Rho)) -0.3087708E-01 Diamond 0.2066205E-01 Metallicity 0.1672084E+01 Ellipticity -0.3728726E+01 Gb(Abramov) 0.2918957E-01 Vb(Abramov) -0.2750205E-01 Hb(Abramov) 0.1687514E-02 Ex_ueg -0.7074971E-02 Ec_ueg -0.1375630E-02 Delta_ex -0.8054071E-02 Delta_ec 0.1992630E-02 Delta_et -0.1847503E-01 Pxc 0.5143077E+01 Qxc -0.4041929E+01 3,+1 67 3 +3 0.005490 0.030842 -2.336599 Rho 0.4790578E-02 |GRAD(Rho)| 0.3483020E-14 GRAD(Rho)x 0.1960029E-14 GRAD(Rho)y 0.1970119E-14 GRAD(Rho)z 0.2099607E-14 Laplacian 0.1944701E-01 (-1/4)Del**2(Rho)) -0.4861753E-02 Diamond 0.1914173E-03 Metallicity 0.4823995E+00 Ellipticity -0.3811915E+00 Gb(Abramov) 0.3632053E-02 Vb(Abramov) -0.2402353E-02 Hb(Abramov) 0.1229700E-02 Ex_ueg -0.5964431E-03 Ec_ueg -0.1379117E-03 Delta_ex -0.7262264E-03 Delta_ec 0.1968404E-03 Delta_et -0.1224108E-02 Pxc 0.4324819E+01 Qxc -0.3689418E+01 3,+3 68 3 -1 -3.190888 -3.201449 0.045091 Rho 0.2548852E+00 |GRAD(Rho)| 0.9014699E-08 GRAD(Rho)x 0.6282666E-08 GRAD(Rho)y 0.6251331E-08 GRAD(Rho)z -0.1647350E-08 Laplacian 0.9262907E+00 (-1/4)Del**2(Rho)) -0.2315727E+00 Diamond 0.3506076E+01 Metallicity 0.7622664E+01 Ellipticity 0.1478458E-02 Gb(Abramov) 0.4485819E+00 Vb(Abramov) -0.6655911E+00 Hb(Abramov) -0.2170092E+00 Ex_ueg -0.1193561E+00 Ec_ueg -0.1547415E-01 Delta_ex -0.1136146E+00 Delta_ec 0.1995415E-01 Delta_et -0.2761555E+00 Pxc 0.7713257E+01 Qxc -0.5693782E+01 3,-1 69 3 -1 -2.987101 -1.978167 -0.859426 Rho 0.1403413E+00 |GRAD(Rho)| 0.3334737E-09 GRAD(Rho)x -0.1437556E-09 GRAD(Rho)y 0.1858670E-09 GRAD(Rho)z -0.2366274E-09 Laplacian 0.5500180E+00 (-1/4)Del**2(Rho)) -0.1375045E+00 Diamond 0.1035548E+01 Metallicity 0.4748378E+01 Ellipticity 0.3335232E-01 Gb(Abramov) 0.2004902E+00 Vb(Abramov) -0.2634760E+00 Hb(Abramov) -0.6298573E-01 Ex_ueg -0.5386405E-01 Ec_ueg -0.7828113E-02 Delta_ex -0.5818405E-01 Delta_ec 0.1431351E-01 Delta_et -0.1889817E+00 Pxc 0.6880847E+01 Qxc -0.4064975E+01 3,-1 70 3 +1 -1.670520 -0.533824 0.502704 Rho 0.8784852E-02 |GRAD(Rho)| 0.1458228E-12 GRAD(Rho)x -0.9117396E-13 GRAD(Rho)y 0.6729013E-13 GRAD(Rho)z -0.9178032E-13 Laplacian 0.3429238E-01 (-1/4)Del**2(Rho)) -0.8573095E-02 Diamond 0.9390016E-03 Metallicity 0.7515761E+00 Ellipticity -0.1446995E+01 Gb(Abramov) 0.6789285E-02 Vb(Abramov) -0.5005476E-02 Hb(Abramov) 0.1783809E-02 Ex_ueg -0.1338744E-02 Ec_ueg -0.3132585E-03 Delta_ex -0.1572579E-02 Delta_ec 0.4780934E-03 Delta_et -0.3289249E-02 Pxc 0.4273609E+01 Qxc -0.3289270E+01 3,+1 71 3 -1 -2.772362 -1.804551 0.551685 Rho 0.1350713E+00 |GRAD(Rho)| 0.9102242E-10 GRAD(Rho)x -0.1516623E-10 GRAD(Rho)y 0.6902227E-10 GRAD(Rho)z 0.5736718E-10 Laplacian 0.5711581E+00 (-1/4)Del**2(Rho)) -0.1427895E+00 Diamond 0.1023510E+01 Metallicity 0.4290048E+01 Ellipticity 0.9975146E-02 Gb(Abramov) 0.1972887E+00 Vb(Abramov) -0.2517878E+00 Hb(Abramov) -0.5449914E-01 Ex_ueg -0.5118420E-01 Ec_ueg -0.7494826E-02 Delta_ex -0.5982184E-01 Delta_ec 0.1492981E-01 Delta_et -0.1958097E+00 Pxc 0.6829272E+01 Qxc -0.4006871E+01 3,-1 72 3 +1 -1.660673 0.479317 -0.587403 Rho 0.9271206E-02 |GRAD(Rho)| 0.2800196E-13 GRAD(Rho)x 0.1991381E-13 GRAD(Rho)y -0.1514354E-13 GRAD(Rho)z 0.1257868E-13 Laplacian 0.3729728E-01 (-1/4)Del**2(Rho)) -0.9324321E-02 Diamond 0.1128970E-02 Metallicity 0.7559557E+00 Ellipticity -0.1464272E+01 Gb(Abramov) 0.7391009E-02 Vb(Abramov) -0.5457698E-02 Hb(Abramov) 0.1933311E-02 Ex_ueg -0.1438467E-02 Ec_ueg -0.3351109E-03 Delta_ex -0.1746155E-02 Delta_ec 0.5416725E-03 Delta_et -0.3761013E-02 Pxc 0.4292512E+01 Qxc -0.3223636E+01 3,+1 73 3 -1 -3.162092 3.206851 -0.109464 Rho 0.1754538E+00 |GRAD(Rho)| 0.2398584E-12 GRAD(Rho)x 0.1735363E-12 GRAD(Rho)y -0.1545710E-12 GRAD(Rho)z 0.5937182E-13 Laplacian 0.6865479E+00 (-1/4)Del**2(Rho)) -0.1716370E+00 Diamond 0.1705868E+01 Metallicity 0.5519256E+01 Ellipticity 0.1134574E+00 Gb(Abramov) 0.2723094E+00 Vb(Abramov) -0.3729817E+00 Hb(Abramov) -0.1006724E+00 Ex_ueg -0.7254413E-01 Ec_ueg -0.1009238E-01 Delta_ex -0.7686882E-01 Delta_ec 0.1711921E-01 Delta_et -0.2334972E+00 Pxc 0.7188010E+01 Qxc -0.4490209E+01 3,-1 74 3 +3 1.095605 1.115301 1.115246 Rho 0.5023209E-02 |GRAD(Rho)| 0.6305478E-14 GRAD(Rho)x 0.1054930E-14 GRAD(Rho)y 0.9628027E-15 GRAD(Rho)z 0.6141595E-14 Laplacian 0.1928901E-01 (-1/4)Del**2(Rho)) -0.4822253E-02 Diamond 0.1369937E-03 Metallicity 0.5263467E+00 Ellipticity -0.8568265E-01 Gb(Abramov) 0.3637865E-02 Vb(Abramov) -0.2453477E-02 Hb(Abramov) 0.1184388E-02 Ex_ueg -0.6353700E-03 Ec_ueg -0.1479117E-03 Delta_ex -0.6686036E-03 Delta_ec 0.8733399E-04 Delta_et -0.6851109E-03 Pxc 0.4295603E+01 Qxc -0.7655709E+01 3,+3 75 3 +1 -1.742895 -1.727723 1.736756 Rho 0.1239602E-01 |GRAD(Rho)| 0.2197191E-16 GRAD(Rho)x 0.1460341E-16 GRAD(Rho)y -0.1611070E-16 GRAD(Rho)z -0.3154397E-17 Laplacian 0.6275661E-01 (-1/4)Del**2(Rho)) -0.1568915E-01 Diamond 0.2615619E-02 Metallicity 0.7290504E+00 Ellipticity -0.1243124E+01 Gb(Abramov) 0.1236580E-01 Vb(Abramov) -0.9042445E-02 Hb(Abramov) 0.3323354E-02 Ex_ueg -0.2118824E-02 Ec_ueg -0.4778815E-03 Delta_ex -0.3107572E-02 Delta_ec 0.8078697E-03 Delta_et -0.6110964E-02 Pxc 0.4433785E+01 Qxc -0.3846626E+01 3,+1 76 3 -1 -0.850064 2.965990 2.021400 Rho 0.1238831E+00 |GRAD(Rho)| 0.2123942E-15 GRAD(Rho)x -0.1626371E-15 GRAD(Rho)y 0.1364875E-15 GRAD(Rho)z -0.5624299E-17 Laplacian 0.4880494E+00 (-1/4)Del**2(Rho)) -0.1220124E+00 Diamond 0.7809736E+00 Metallicity 0.4346796E+01 Ellipticity 0.5757229E-01 Gb(Abramov) 0.1697354E+00 Vb(Abramov) -0.2174584E+00 Hb(Abramov) -0.4772301E-01 Ex_ueg -0.4561079E-01 Ec_ueg -0.6793271E-02 Delta_ex -0.4997051E-01 Delta_ec 0.1285521E-01 Delta_et -0.1659394E+00 Pxc 0.6714113E+01 Qxc -0.3887179E+01 3,-1 77 3 +3 -2.313701 -0.064212 -0.052937 Rho 0.4868126E-02 |GRAD(Rho)| 0.5569440E-16 GRAD(Rho)x 0.5561401E-16 GRAD(Rho)y -0.2591717E-17 GRAD(Rho)z -0.1493735E-17 Laplacian 0.2030621E-01 (-1/4)Del**2(Rho)) -0.5076552E-02 Diamond 0.1945426E-03 Metallicity 0.4745194E+00 Ellipticity -0.4661845E+00 Gb(Abramov) 0.3785855E-02 Vb(Abramov) -0.2495158E-02 Hb(Abramov) 0.1290697E-02 Ex_ueg -0.6093509E-03 Ec_ueg -0.1412421E-03 Delta_ex -0.7520347E-03 Delta_ec 0.1888115E-03 Delta_et -0.1199909E-02 Pxc 0.4314229E+01 Qxc -0.3982992E+01 3,+3 78 3 -1 -1.824593 -0.544883 2.761783 Rho 0.1357512E+00 |GRAD(Rho)| 0.3258292E-09 GRAD(Rho)x 0.2414747E-09 GRAD(Rho)y -0.2062833E-09 GRAD(Rho)z 0.7281359E-10 Laplacian 0.5724315E+00 (-1/4)Del**2(Rho)) -0.1431079E+00 Diamond 0.1032047E+01 Metallicity 0.4316471E+01 Ellipticity 0.1078350E-01 Gb(Abramov) 0.1983588E+00 Vb(Abramov) -0.2536096E+00 Hb(Abramov) -0.5525088E-01 Ex_ueg -0.5152798E-01 Ec_ueg -0.7537720E-02 Delta_ex -0.6002873E-01 Delta_ec 0.1494600E-01 Delta_et -0.1961785E+00 Pxc 0.6836017E+01 Qxc -0.4016374E+01 3,-1 79 3 -1 -1.817051 0.544578 -2.784643 Rho 0.1361901E+00 |GRAD(Rho)| 0.6165665E-15 GRAD(Rho)x -0.4613822E-15 GRAD(Rho)y -0.3798502E-15 GRAD(Rho)z 0.1516392E-15 Laplacian 0.5725958E+00 (-1/4)Del**2(Rho)) -0.1431490E+00 Diamond 0.1017040E+01 Metallicity 0.4338511E+01 Ellipticity 0.1678207E-01 Gb(Abramov) 0.1989415E+00 Vb(Abramov) -0.2547341E+00 Hb(Abramov) -0.5579256E-01 Ex_ueg -0.5175023E-01 Ec_ueg -0.7565429E-02 Delta_ex -0.5987412E-01 Delta_ec 0.1454794E-01 Delta_et -0.1902719E+00 Pxc 0.6840356E+01 Qxc -0.4115642E+01 3,-1 80 3 +3 -1.093057 1.096290 -1.148581 Rho 0.5417683E-02 |GRAD(Rho)| 0.1858447E-15 GRAD(Rho)x -0.1379595E-15 GRAD(Rho)y 0.7987288E-16 GRAD(Rho)z -0.9552881E-16 Laplacian 0.2136653E-01 (-1/4)Del**2(Rho)) -0.5341632E-02 Diamond 0.1675938E-03 Metallicity 0.5389748E+00 Ellipticity -0.3218099E+00 Gb(Abramov) 0.4040923E-02 Vb(Abramov) -0.2740213E-02 Hb(Abramov) 0.1300710E-02 Ex_ueg -0.7027538E-03 Ec_ueg -0.1649315E-03 Delta_ex -0.7557348E-03 Delta_ec 0.9566318E-04 Delta_et -0.7632765E-03 Pxc 0.4260884E+01 Qxc -0.7899955E+01 3,+3 81 3 -1 -2.754652 0.541307 -1.805012 Rho 0.9850957E-01 |GRAD(Rho)| 0.6893897E-14 GRAD(Rho)x 0.6679600E-15 GRAD(Rho)y -0.4321301E-14 GRAD(Rho)z -0.5329728E-14 Laplacian 0.4025424E+00 (-1/4)Del**2(Rho)) -0.1006356E+00 Diamond 0.4906024E+00 Metallicity 0.3596932E+01 Ellipticity 0.2197401E-01 Gb(Abramov) 0.1274203E+00 Vb(Abramov) -0.1542050E+00 Hb(Abramov) -0.2678470E-01 Ex_ueg -0.3360131E-01 Ec_ueg -0.5234856E-02 Delta_ex -0.3907355E-01 Delta_ec 0.1122900E-01 Delta_et -0.1390305E+00 Pxc 0.6418766E+01 Qxc -0.3479699E+01 3,-1 82 3 +1 0.520335 1.680173 0.534027 Rho 0.8502744E-02 |GRAD(Rho)| 0.1154501E-16 GRAD(Rho)x -0.6705867E-17 GRAD(Rho)y -0.9388976E-17 GRAD(Rho)z 0.4072276E-18 Laplacian 0.3263208E-01 (-1/4)Del**2(Rho)) -0.8158021E-02 Diamond 0.8801900E-03 Metallicity 0.7479977E+00 Ellipticity -0.1487743E+01 Gb(Abramov) 0.6455710E-02 Vb(Abramov) -0.4753400E-02 Hb(Abramov) 0.1702310E-02 Ex_ueg -0.1281732E-02 Ec_ueg -0.3006307E-03 Delta_ex -0.1495784E-02 Delta_ec 0.4758028E-03 Delta_et -0.3229045E-02 Pxc 0.4263476E+01 Qxc -0.3143705E+01 3,+1 83 3 -1 -2.005161 0.844732 2.987855 Rho 0.1320951E+00 |GRAD(Rho)| 0.5257176E-13 GRAD(Rho)x 0.4230135E-13 GRAD(Rho)y 0.2234004E-13 GRAD(Rho)z -0.2180155E-13 Laplacian 0.5196907E+00 (-1/4)Del**2(Rho)) -0.1299227E+00 Diamond 0.9102140E+00 Metallicity 0.4543035E+01 Ellipticity 0.2054802E-01 Gb(Abramov) 0.1849890E+00 Vb(Abramov) -0.2400553E+00 Hb(Abramov) -0.5506632E-01 Ex_ueg -0.4968600E-01 Ec_ueg -0.7307394E-02 Delta_ex -0.5418052E-01 Delta_ec 0.1373177E-01 Delta_et -0.1796015E+00 Pxc 0.6799414E+01 Qxc -0.3945632E+01 3,-1 84 3 -1 -3.195638 0.053680 -3.213008 Rho 0.2446479E+00 |GRAD(Rho)| 0.9735799E-15 GRAD(Rho)x 0.7789451E-15 GRAD(Rho)y -0.1707347E-15 GRAD(Rho)z 0.5585267E-15 Laplacian 0.8733170E+00 (-1/4)Del**2(Rho)) -0.2183292E+00 Diamond 0.3174983E+01 Metallicity 0.7551102E+01 Ellipticity 0.4039890E-02 Gb(Abramov) 0.4203239E+00 Vb(Abramov) -0.6223185E+00 Hb(Abramov) -0.2019946E+00 Ex_ueg -0.1130074E+00 Ec_ueg -0.1476100E-01 Delta_ex -0.1061185E+00 Delta_ec 0.1931364E-01 Delta_et -0.2682827E+00 Pxc 0.7655811E+01 Qxc -0.5494483E+01 3,-1 85 3 -1 -1.984571 -2.983766 -0.874786 Rho 0.1460163E+00 |GRAD(Rho)| 0.8597989E-15 GRAD(Rho)x -0.4887719E-15 GRAD(Rho)y 0.3161669E-15 GRAD(Rho)z 0.6327675E-15 Laplacian 0.5748491E+00 (-1/4)Del**2(Rho)) -0.1437123E+00 Diamond 0.1132567E+01 Metallicity 0.4853572E+01 Ellipticity 0.3819563E-01 Gb(Abramov) 0.2120612E+00 Vb(Abramov) -0.2804100E+00 Hb(Abramov) -0.6834888E-01 Ex_ueg -0.5678759E-01 Ec_ueg -0.8188988E-02 Delta_ex -0.6137546E-01 Delta_ec 0.1476928E-01 Delta_et -0.1960532E+00 Pxc 0.6934628E+01 Qxc -0.4155618E+01 3,-1 86 3 -1 -1.797846 -2.768338 0.552461 Rho 0.1420717E+00 |GRAD(Rho)| 0.1109446E-15 GRAD(Rho)x -0.4128100E-16 GRAD(Rho)y 0.2713216E-16 GRAD(Rho)z -0.9934002E-16 Laplacian 0.5986059E+00 (-1/4)Del**2(Rho)) -0.1496515E+00 Diamond 0.1136050E+01 Metallicity 0.4452987E+01 Ellipticity 0.9699234E-02 Gb(Abramov) 0.2108337E+00 Vb(Abramov) -0.2720159E+00 Hb(Abramov) -0.6118220E-01 Ex_ueg -0.5475139E-01 Ec_ueg -0.7937936E-02 Delta_ex -0.6343073E-01 Delta_ec 0.1538453E-01 Delta_et -0.2031891E+00 Pxc 0.6897434E+01 Qxc -0.4123019E+01 3,-1 87 3 +1 2.163353 -1.104078 1.342798 Rho 0.2708212E-01 |GRAD(Rho)| 0.1321262E-16 GRAD(Rho)x 0.1169062E-16 GRAD(Rho)y -0.2856832E-17 GRAD(Rho)z 0.5453560E-17 Laplacian 0.1091022E+00 (-1/4)Del**2(Rho)) -0.2727555E-01 Diamond 0.1636556E-01 Metallicity 0.1542591E+01 Ellipticity -0.4286215E+01 Gb(Abramov) 0.2519620E-01 Vb(Abramov) -0.2311686E-01 Hb(Abramov) 0.2079346E-02 Ex_ueg -0.6006599E-02 Ec_ueg -0.1194107E-02 Delta_ex -0.6974899E-02 Delta_ec 0.1927091E-02 Delta_et -0.1733160E-01 Pxc 0.5030204E+01 Qxc -0.3619393E+01 3,+1 88 3 +1 -0.110802 0.151651 2.890295 Rho 0.5153124E-02 |GRAD(Rho)| 0.2331162E-14 GRAD(Rho)x -0.1569949E-14 GRAD(Rho)y 0.1715922E-14 GRAD(Rho)z 0.1587149E-15 Laplacian 0.2107411E-01 (-1/4)Del**2(Rho)) -0.5268527E-02 Diamond 0.5308471E-03 Metallicity 0.5027070E+00 Ellipticity -0.4301966E+01 Gb(Abramov) 0.3953772E-02 Vb(Abramov) -0.2639017E-02 Hb(Abramov) 0.1314755E-02 Ex_ueg -0.6573739E-03 Ec_ueg -0.1535083E-03 Delta_ex -0.1070911E-02 Delta_ec 0.6939567E-03 Delta_et -0.3790825E-02 Pxc 0.4282335E+01 Qxc -0.1543196E+01 3,+1 89 3 -1 -1.745472 2.756537 -0.567610 Rho 0.1751774E+00 |GRAD(Rho)| 0.7367344E-12 GRAD(Rho)x -0.5655070E-12 GRAD(Rho)y -0.9915262E-13 GRAD(Rho)z 0.4616798E-12 Laplacian 0.7282258E+00 (-1/4)Del**2(Rho)) -0.1820565E+00 Diamond 0.1752663E+01 Metallicity 0.5189719E+01 Ellipticity 0.1746139E-01 Gb(Abramov) 0.2788413E+00 Vb(Abramov) -0.3756261E+00 Hb(Abramov) -0.9678483E-01 Ex_ueg -0.7239176E-01 Ec_ueg -0.1007427E-01 Delta_ex -0.8107113E-01 Delta_ec 0.1739450E-01 Delta_et -0.2350404E+00 Pxc 0.7185810E+01 Qxc -0.4660732E+01 3,-1 90 3 -1 -1.945918 2.959754 0.837281 Rho 0.1506576E+00 |GRAD(Rho)| 0.2728121E-15 GRAD(Rho)x 0.1809127E-15 GRAD(Rho)y 0.9580281E-16 GRAD(Rho)z -0.1803299E-15 Laplacian 0.5905610E+00 (-1/4)Del**2(Rho)) -0.1476402E+00 Diamond 0.1198705E+01 Metallicity 0.4977371E+01 Ellipticity 0.2635695E-01 Gb(Abramov) 0.2209035E+00 Vb(Abramov) -0.2941668E+00 Hb(Abramov) -0.7326329E-01 Ex_ueg -0.5920699E-01 Ec_ueg -0.8485621E-02 Delta_ex -0.6344564E-01 Delta_ec 0.1489032E-01 Delta_et -0.1981605E+00 Pxc 0.6977331E+01 Qxc -0.4260864E+01 3,-1 91 3 -1 -1.995574 -0.875784 -3.030900 Rho 0.1485370E+00 |GRAD(Rho)| 0.2337822E-15 GRAD(Rho)x 0.2138860E-15 GRAD(Rho)y -0.9425783E-16 GRAD(Rho)z -0.4729832E-17 Laplacian 0.5770752E+00 (-1/4)Del**2(Rho)) -0.1442688E+00 Diamond 0.1147238E+01 Metallicity 0.4974757E+01 Ellipticity 0.6205239E-01 Gb(Abramov) 0.2157962E+00 Vb(Abramov) -0.2873237E+00 Hb(Abramov) -0.7152744E-01 Ex_ueg -0.5809846E-01 Ec_ueg -0.8349927E-02 Delta_ex -0.6173742E-01 Delta_ec 0.1452386E-01 Delta_et -0.1927272E+00 Pxc 0.6957960E+01 Qxc -0.4250757E+01 3,-1 92 3 +3 -1.115839 -1.083029 1.094493 Rho 0.5234583E-02 |GRAD(Rho)| 0.5984782E-17 GRAD(Rho)x -0.1976184E-18 GRAD(Rho)y -0.4674106E-17 GRAD(Rho)z -0.3732464E-17 Laplacian 0.2046512E-01 (-1/4)Del**2(Rho)) -0.5116281E-02 Diamond 0.1516964E-03 Metallicity 0.5313763E+00 Ellipticity -0.4706704E-01 Gb(Abramov) 0.3863966E-02 Vb(Abramov) -0.2611651E-02 Hb(Abramov) 0.1252315E-02 Ex_ueg -0.6712657E-03 Ec_ueg -0.1570218E-03 Delta_ex -0.7157022E-03 Delta_ec 0.8939130E-04 Delta_et -0.7154061E-03 Pxc 0.4274985E+01 Qxc -0.8006396E+01 3,+3 93 3 -1 -0.000225 -2.891341 -0.006051 Rho 0.5492816E-02 |GRAD(Rho)| 0.1460075E-16 GRAD(Rho)x 0.9855664E-17 GRAD(Rho)y -0.1033518E-16 GRAD(Rho)z -0.3038410E-17 Laplacian 0.2200391E-01 (-1/4)Del**2(Rho)) -0.5500976E-02 Diamond 0.6681791E-03 Metallicity 0.5355152E+00 Ellipticity 0.2733052E+01 Gb(Abramov) 0.4158294E-02 Vb(Abramov) -0.2815611E-02 Hb(Abramov) 0.1342683E-02 Ex_ueg -0.7157782E-03 Ec_ueg -0.1681819E-03 Delta_ex -0.1184550E-02 Delta_ec 0.8185296E-03 Delta_et -0.4522244E-02 Pxc 0.4255975E+01 Qxc -0.1447168E+01 3,-1 94 3 +1 -0.177609 -0.149402 -2.863778 Rho 0.5382053E-02 |GRAD(Rho)| 0.1063936E-16 GRAD(Rho)x 0.8187408E-17 GRAD(Rho)y -0.6776206E-17 GRAD(Rho)z 0.4953662E-18 Laplacian 0.2201334E-01 (-1/4)Del**2(Rho)) -0.5503336E-02 Diamond 0.5560645E-03 Metallicity 0.5174167E+00 Ellipticity -0.3462215E+01 Gb(Abramov) 0.4143477E-02 Vb(Abramov) -0.2783618E-02 Hb(Abramov) 0.1359859E-02 Ex_ueg -0.6965982E-03 Ec_ueg -0.1633910E-03 Delta_ex -0.1101209E-02 Delta_ec 0.6770816E-03 Delta_et -0.3765727E-02 Pxc 0.4263382E+01 Qxc -0.1626406E+01 3,+1 95 3 +1 -1.134635 1.325970 2.153581 Rho 0.2637984E-01 |GRAD(Rho)| 0.3941233E-16 GRAD(Rho)x 0.1264358E-16 GRAD(Rho)y -0.1226720E-16 GRAD(Rho)z -0.3525602E-16 Laplacian 0.1056548E+00 (-1/4)Del**2(Rho)) -0.2641371E-01 Diamond 0.1585801E-01 Metallicity 0.1524675E+01 Ellipticity -0.5554018E+01 Gb(Abramov) 0.2432120E-01 Vb(Abramov) -0.2222868E-01 Hb(Abramov) 0.2092516E-02 Ex_ueg -0.5799821E-02 Ec_ueg -0.1158435E-02 Delta_ex -0.6765226E-02 Delta_ec 0.1969512E-02 Delta_et -0.1758013E-01 Pxc 0.5006601E+01 Qxc -0.3434977E+01 3,+1 96 3 +1 -1.728791 1.736626 -1.728981 Rho 0.1225151E-01 |GRAD(Rho)| 0.7389738E-15 GRAD(Rho)x 0.1180863E-15 GRAD(Rho)y -0.5066177E-15 GRAD(Rho)z -0.5248584E-15 Laplacian 0.6163733E-01 (-1/4)Del**2(Rho)) -0.1540933E-01 Diamond 0.2578549E-02 Metallicity 0.7279230E+00 Ellipticity -0.1280960E+01 Gb(Abramov) 0.1214236E-01 Vb(Abramov) -0.8875380E-02 Hb(Abramov) 0.3266976E-02 Ex_ueg -0.2085953E-02 Ec_ueg -0.4711921E-03 Delta_ex -0.3056910E-02 Delta_ec 0.8188481E-03 Delta_et -0.6156912E-02 Pxc 0.4426971E+01 Qxc -0.3733183E+01 3,+1 97 3 -1 -1.702091 1.724801 0.495895 Rho 0.5959693E-01 |GRAD(Rho)| 0.1420610E-15 GRAD(Rho)x 0.8239344E-16 GRAD(Rho)y -0.9232490E-16 GRAD(Rho)z 0.6977646E-16 Laplacian 0.2417675E+00 (-1/4)Del**2(Rho)) -0.6044188E-01 Diamond 0.1518982E+00 Metallicity 0.2591721E+01 Ellipticity 0.1615217E-01 Gb(Abramov) 0.6640267E-01 Vb(Abramov) -0.7236347E-01 Hb(Abramov) -0.5960791E-02 Ex_ueg -0.1719294E-01 Ec_ueg -0.2951846E-02 Delta_ex -0.2067964E-01 Delta_ec 0.6968674E-02 Delta_et -0.7677802E-01 Pxc 0.5824470E+01 Qxc -0.2967514E+01 3,-1 98 3 +3 -0.013250 0.058748 2.303675 Rho 0.4476398E-02 |GRAD(Rho)| 0.5324765E-17 GRAD(Rho)x 0.3135320E-17 GRAD(Rho)y 0.4156452E-17 GRAD(Rho)z -0.1116601E-17 Laplacian 0.1816573E-01 (-1/4)Del**2(Rho)) -0.4541432E-02 Diamond 0.1565949E-03 Metallicity 0.4612201E+00 Ellipticity -0.2853978E+00 Gb(Abramov) 0.3376721E-02 Vb(Abramov) -0.2212011E-02 Hb(Abramov) 0.1164711E-02 Ex_ueg -0.5448663E-03 Ec_ueg -0.1244501E-03 Delta_ex -0.6598792E-03 Delta_ec 0.1713945E-03 Delta_et -0.1064073E-02 Pxc 0.4378190E+01 Qxc -0.3850061E+01 3,+3 99 3 +1 -0.485879 1.661885 -0.574155 Rho 0.9389551E-02 |GRAD(Rho)| 0.1442984E-12 GRAD(Rho)x 0.5855977E-13 GRAD(Rho)y -0.1227615E-12 GRAD(Rho)z 0.4819109E-13 Laplacian 0.3709595E-01 (-1/4)Del**2(Rho)) -0.9273987E-02 Diamond 0.1127777E-02 Metallicity 0.7762972E+00 Ellipticity -0.1477208E+01 Gb(Abramov) 0.7382553E-02 Vb(Abramov) -0.5491119E-02 Hb(Abramov) 0.1891434E-02 Ex_ueg -0.1463002E-02 Ec_ueg -0.3404438E-03 Delta_ex -0.1736437E-02 Delta_ec 0.5282348E-03 Delta_et -0.3687765E-02 Pxc 0.4297337E+01 Qxc -0.3287244E+01 3,+1 100 3 +1 -1.188364 -2.169214 -1.279643 Rho 0.3011929E-01 |GRAD(Rho)| 0.1123683E-16 GRAD(Rho)x 0.9066889E-17 GRAD(Rho)y -0.3974158E-17 GRAD(Rho)z 0.5316393E-17 Laplacian 0.1249745E+00 (-1/4)Del**2(Rho)) -0.3124362E-01 Diamond 0.2313520E-01 Metallicity 0.1607680E+01 Ellipticity -0.1075118E+02 Gb(Abramov) 0.2920070E-01 Vb(Abramov) -0.2715779E-01 Hb(Abramov) 0.2042913E-02 Ex_ueg -0.6921146E-02 Ec_ueg -0.1349762E-02 Delta_ex -0.8341764E-02 Delta_ec 0.2424408E-02 Delta_et -0.2235593E-01 Pxc 0.5127679E+01 Qxc -0.3440742E+01 3,+1 101 3 -1 0.572637 -1.790820 -2.771712 Rho 0.1541605E+00 |GRAD(Rho)| 0.1133914E-14 GRAD(Rho)x 0.2916504E-15 GRAD(Rho)y 0.1071327E-14 GRAD(Rho)z -0.2301287E-15 Laplacian 0.6460268E+00 (-1/4)Del**2(Rho)) -0.1615067E+00 Diamond 0.1344515E+01 Metallicity 0.4727716E+01 Ellipticity 0.1277700E-01 Gb(Abramov) 0.2349308E+00 Vb(Abramov) -0.3083548E+00 Hb(Abramov) -0.7342407E-01 Ex_ueg -0.6104959E-01 Ec_ueg -0.8710379E-02 Delta_ex -0.6976559E-01 Delta_ec 0.1613581E-01 Delta_et -0.2152592E+00 Pxc 0.7008832E+01 Qxc -0.4323650E+01 3,-1 102 3 -1 -0.847481 -1.990883 -3.009318 Rho 0.1273415E+00 |GRAD(Rho)| 0.3976929E-15 GRAD(Rho)x 0.3611748E-15 GRAD(Rho)y -0.1663437E-15 GRAD(Rho)z 0.6491661E-17 Laplacian 0.5021262E+00 (-1/4)Del**2(Rho)) -0.1255315E+00 Diamond 0.8415417E+00 Metallicity 0.4423341E+01 Ellipticity 0.2549927E-01 Gb(Abramov) 0.1762325E+00 Vb(Abramov) -0.2269335E+00 Hb(Abramov) -0.5070096E-01 Ex_ueg -0.4731641E-01 Ec_ueg -0.7009242E-02 Delta_ex -0.5188968E-01 Delta_ec 0.1338330E-01 Delta_et -0.1739898E+00 Pxc 0.6750575E+01 Qxc -0.3877196E+01 3,-1 103 3 +3 0.003143 -2.323038 -0.009888 Rho 0.4802227E-02 |GRAD(Rho)| 0.5689301E-17 GRAD(Rho)x -0.2035244E-17 GRAD(Rho)y -0.4965378E-17 GRAD(Rho)z 0.1889695E-17 Laplacian 0.1964374E-01 (-1/4)Del**2(Rho)) -0.4910935E-02 Diamond 0.1850304E-03 Metallicity 0.4795054E+00 Ellipticity -0.2794715E+00 Gb(Abramov) 0.3666427E-02 Vb(Abramov) -0.2421918E-02 Hb(Abramov) 0.1244508E-02 Ex_ueg -0.5983776E-03 Ec_ueg -0.1384118E-03 Delta_ex -0.7252427E-03 Delta_ec 0.1831531E-03 Delta_et -0.1159473E-02 Pxc 0.4323170E+01 Qxc -0.3959763E+01 3,+3 104 3 +1 -0.137273 2.898233 0.178427 Rho 0.5602736E-02 |GRAD(Rho)| 0.1132538E-16 GRAD(Rho)x 0.8721421E-17 GRAD(Rho)y -0.2032083E-17 GRAD(Rho)z 0.6933379E-17 Laplacian 0.2333130E-01 (-1/4)Del**2(Rho)) -0.5832825E-02 Diamond 0.6351762E-03 Metallicity 0.5220049E+00 Ellipticity -0.3619360E+01 Gb(Abramov) 0.4396010E-02 Vb(Abramov) -0.2959196E-02 Hb(Abramov) 0.1436814E-02 Ex_ueg -0.7349402E-03 Ec_ueg -0.1729425E-03 Delta_ex -0.1186864E-02 Delta_ec 0.7362513E-03 Delta_et -0.4136705E-02 Pxc 0.4249621E+01 Qxc -0.1612037E+01 3,+1 105 3 -1 -0.039909 2.905771 0.075112 Rho 0.5613740E-02 |GRAD(Rho)| 0.1040678E-16 GRAD(Rho)x -0.7197071E-17 GRAD(Rho)y -0.9427783E-18 GRAD(Rho)z -0.7457505E-17 Laplacian 0.2280429E-01 (-1/4)Del**2(Rho)) -0.5701073E-02 Diamond 0.7188071E-03 Metallicity 0.5358177E+00 Ellipticity 0.2894440E+01 Gb(Abramov) 0.4309838E-02 Vb(Abramov) -0.2918603E-02 Hb(Abramov) 0.1391235E-02 Ex_ueg -0.7368653E-03 Ec_ueg -0.1734194E-03 Delta_ex -0.1237161E-02 Delta_ec 0.8564888E-03 Delta_et -0.4760685E-02 Pxc 0.4249036E+01 Qxc -0.1444457E+01 3,-1 106 3 -1 -0.065533 -0.038274 -2.873491 Rho 0.5394421E-02 |GRAD(Rho)| 0.1530284E-11 GRAD(Rho)x -0.2492233E-12 GRAD(Rho)y 0.1501037E-11 GRAD(Rho)z -0.1629291E-12 Laplacian 0.2155390E-01 (-1/4)Del**2(Rho)) -0.5388476E-02 Diamond 0.6318522E-03 Metallicity 0.5304714E+00 Ellipticity 0.2991814E+01 Gb(Abramov) 0.4068723E-02 Vb(Abramov) -0.2748969E-02 Hb(Abramov) 0.1319753E-02 Ex_ueg -0.6987334E-03 Ec_ueg -0.1639256E-03 Delta_ex -0.1150637E-02 Delta_ec 0.7913645E-03 Delta_et -0.4351689E-02 Pxc 0.4262502E+01 Qxc -0.1453992E+01 3,-1 107 3 +1 -0.170776 -2.881471 -0.178217 Rho 0.5452469E-02 |GRAD(Rho)| 0.7835811E-15 GRAD(Rho)x -0.5494538E-15 GRAD(Rho)y -0.2113670E-16 GRAD(Rho)z -0.5582590E-15 Laplacian 0.2248713E-01 (-1/4)Del**2(Rho)) -0.5621782E-02 Diamond 0.5591621E-03 Metallicity 0.5176083E+00 Ellipticity -0.2641801E+01 Gb(Abramov) 0.4232835E-02 Vb(Abramov) -0.2843888E-02 Hb(Abramov) 0.1388947E-02 Ex_ueg -0.7087766E-03 Ec_ueg -0.1664361E-03 Delta_ex -0.1112165E-02 Delta_ec 0.6637529E-03 Delta_et -0.3717404E-02 Pxc 0.4258552E+01 Qxc -0.1675571E+01 3,+1 108 3 -1 0.514251 -1.706845 1.727417 Rho 0.4796322E-01 |GRAD(Rho)| 0.3473717E-13 GRAD(Rho)x -0.2652040E-13 GRAD(Rho)y 0.4097361E-14 GRAD(Rho)z 0.2205790E-13 Laplacian 0.1956095E+00 (-1/4)Del**2(Rho)) -0.4890238E-01 Diamond 0.9289230E-01 Metallicity 0.2230508E+01 Ellipticity 0.1215644E-01 Gb(Abramov) 0.5078111E-01 Vb(Abramov) -0.5265984E-01 Hb(Abramov) -0.1878729E-02 Ex_ueg -0.1287052E-01 Ec_ueg -0.2302601E-02 Delta_ex -0.1589642E-01 Delta_ec 0.5763756E-02 Delta_et -0.6010253E-01 Pxc 0.5589557E+01 Qxc -0.2757997E+01 3,-1 109 3 -1 -0.841424 -2.976003 -2.002656 Rho 0.1356501E+00 |GRAD(Rho)| 0.1450768E-13 GRAD(Rho)x -0.6208562E-14 GRAD(Rho)y 0.6230009E-14 GRAD(Rho)z 0.1153748E-13 Laplacian 0.5345788E+00 (-1/4)Del**2(Rho)) -0.1336447E+00 Diamond 0.9630760E+00 Metallicity 0.4616383E+01 Ellipticity 0.2995206E-01 Gb(Abramov) 0.1919223E+00 Vb(Abramov) -0.2501999E+00 Hb(Abramov) -0.5827762E-01 Ex_ueg -0.5147686E-01 Ec_ueg -0.7531344E-02 Delta_ex -0.5605069E-01 Delta_ec 0.1396295E-01 Delta_et -0.1832592E+00 Pxc 0.6835016E+01 Qxc -0.4014244E+01 3,-1 110 3 +1 1.672944 -0.549299 -0.548805 Rho 0.8626343E-02 |GRAD(Rho)| 0.1999593E-16 GRAD(Rho)x 0.1236504E-16 GRAD(Rho)y -0.1367816E-16 GRAD(Rho)z 0.7736359E-17 Laplacian 0.3315252E-01 (-1/4)Del**2(Rho)) -0.8288131E-02 Diamond 0.9012980E-03 Metallicity 0.7541791E+00 Ellipticity -0.1477792E+01 Gb(Abramov) 0.6567210E-02 Vb(Abramov) -0.4846289E-02 Hb(Abramov) 0.1720921E-02 Ex_ueg -0.1306634E-02 Ec_ueg -0.3061590E-03 Delta_ex -0.1520371E-02 Delta_ec 0.4748327E-03 Delta_et -0.3241259E-02 Pxc 0.4267830E+01 Qxc -0.3201909E+01 3,+1 111 3 -1 -0.534812 1.800732 -2.797668 Rho 0.1267455E+00 |GRAD(Rho)| 0.1629129E-15 GRAD(Rho)x 0.1365417E-15 GRAD(Rho)y -0.4733898E-16 GRAD(Rho)z 0.7520636E-16 Laplacian 0.5304140E+00 (-1/4)Del**2(Rho)) -0.1326035E+00 Diamond 0.8685008E+00 Metallicity 0.4154822E+01 Ellipticity 0.1258272E-01 Gb(Abramov) 0.1802263E+00 Vb(Abramov) -0.2278491E+00 Hb(Abramov) -0.4762281E-01 Ex_ueg -0.4702135E-01 Ec_ueg -0.6971963E-02 Delta_ex -0.5455862E-01 Delta_ec 0.1380893E-01 Delta_et -0.1787712E+00 Pxc 0.6744348E+01 Qxc -0.3950966E+01 3,-1 112 3 -1 -0.554050 1.731187 1.742793 Rho 0.3908204E-01 |GRAD(Rho)| 0.5970957E-16 GRAD(Rho)x 0.2211889E-16 GRAD(Rho)y 0.5113877E-16 GRAD(Rho)z 0.2146657E-16 Laplacian 0.1642481E+00 (-1/4)Del**2(Rho)) -0.4106203E-01 Diamond 0.6068354E-01 Metallicity 0.1888317E+01 Ellipticity 0.1035670E-01 Gb(Abramov) 0.4029771E-01 Vb(Abramov) -0.3953338E-01 Hb(Abramov) 0.7643229E-03 Ex_ueg -0.9795383E-02 Ec_ueg -0.1820914E-02 Delta_ex -0.1278063E-01 Delta_ec 0.5022034E-02 Delta_et -0.4961037E-01 Pxc 0.5379377E+01 Qxc -0.2544911E+01 3,-1 113 3 -1 -0.855336 1.974310 3.024918 Rho 0.1434142E+00 |GRAD(Rho)| 0.2165451E-14 GRAD(Rho)x 0.1556345E-14 GRAD(Rho)y 0.1464730E-14 GRAD(Rho)z -0.3486184E-15 Laplacian 0.5652929E+00 (-1/4)Del**2(Rho)) -0.1413232E+00 Diamond 0.1073291E+01 Metallicity 0.4789902E+01 Ellipticity 0.5979568E-01 Gb(Abramov) 0.2070362E+00 Vb(Abramov) -0.2727492E+00 Hb(Abramov) -0.6571299E-01 Ex_ueg -0.5544231E-01 Ec_ueg -0.8023270E-02 Delta_ex -0.5991448E-01 Delta_ec 0.1427353E-01 Delta_et -0.1882986E+00 Pxc 0.6910188E+01 Qxc -0.4197595E+01 3,-1 114 3 +1 -0.991521 2.140947 1.463765 Rho 0.2823758E-01 |GRAD(Rho)| 0.5645846E-16 GRAD(Rho)x -0.3943048E-16 GRAD(Rho)y 0.3949276E-16 GRAD(Rho)z -0.8550817E-17 Laplacian 0.1146304E+00 (-1/4)Del**2(Rho)) -0.2865759E-01 Diamond 0.1496749E-01 Metallicity 0.1574077E+01 Ellipticity -0.2171007E+01 Gb(Abramov) 0.2662327E-01 Vb(Abramov) -0.2458895E-01 Hb(Abramov) 0.2034320E-02 Ex_ueg -0.6350703E-02 Ec_ueg -0.1253063E-02 Delta_ex -0.7110957E-02 Delta_ec 0.1489784E-02 Delta_et -0.1360783E-01 Pxc 0.5068142E+01 Qxc -0.4773146E+01 3,+1 115 3 -1 -0.515500 -1.726631 -1.738984 Rho 0.4870676E-01 |GRAD(Rho)| 0.7111927E-16 GRAD(Rho)x -0.1878931E-16 GRAD(Rho)y 0.2943185E-16 GRAD(Rho)z -0.6195707E-16 Laplacian 0.1985964E+00 (-1/4)Del**2(Rho)) -0.4964910E-01 Diamond 0.9620354E-01 Metallicity 0.2254017E+01 Ellipticity 0.1881650E-01 Gb(Abramov) 0.5175105E-01 Vb(Abramov) -0.5385300E-01 Hb(Abramov) -0.2101951E-02 Ex_ueg -0.1313724E-01 Ec_ueg -0.2343514E-02 Delta_ex -0.1619729E-01 Delta_ec 0.5843074E-02 Delta_et -0.6117324E-01 Pxc 0.5605786E+01 Qxc -0.2772049E+01 3,-1 116 3 -1 -0.576700 -1.771639 2.776810 Rho 0.1484986E+00 |GRAD(Rho)| 0.7630774E-15 GRAD(Rho)x -0.3370514E-15 GRAD(Rho)y 0.6749159E-15 GRAD(Rho)z 0.1147696E-15 Laplacian 0.6283468E+00 (-1/4)Del**2(Rho)) -0.1570867E+00 Diamond 0.1257461E+01 Metallicity 0.4566860E+01 Ellipticity 0.9382848E-02 Gb(Abramov) 0.2242900E+00 Vb(Abramov) -0.2914932E+00 Hb(Abramov) -0.6720327E-01 Ex_ueg -0.5807843E-01 Ec_ueg -0.8347473E-02 Delta_ex -0.6730601E-01 Delta_ec 0.1597178E-01 Delta_et -0.2122925E+00 Pxc 0.6957607E+01 Qxc -0.4214058E+01 3,-1 117 3 +1 0.544206 -0.519963 -1.661092 Rho 0.9378252E-02 |GRAD(Rho)| 0.1655608E-16 GRAD(Rho)x 0.6223618E-17 GRAD(Rho)y 0.4336084E-17 GRAD(Rho)z 0.1471627E-16 Laplacian 0.3623500E-01 (-1/4)Del**2(Rho)) -0.9058750E-02 Diamond 0.1094329E-02 Metallicity 0.7931489E+00 Ellipticity -0.1498545E+01 Gb(Abramov) 0.7236656E-02 Vb(Abramov) -0.5414562E-02 Hb(Abramov) 0.1822094E-02 Ex_ueg -0.1460655E-02 Ec_ueg -0.3399344E-03 Delta_ex -0.1693422E-02 Delta_ec 0.5120585E-03 Delta_et -0.3576785E-02 Pxc 0.4296873E+01 Qxc -0.3307088E+01 3,+1 118 3 -1 -0.505704 2.750530 -1.837189 Rho 0.9923404E-01 |GRAD(Rho)| 0.1535101E-15 GRAD(Rho)x -0.1877364E-16 GRAD(Rho)y -0.1233720E-15 GRAD(Rho)z -0.8939925E-16 Laplacian 0.4090796E+00 (-1/4)Del**2(Rho)) -0.1022699E+00 Diamond 0.5034175E+00 Metallicity 0.3582942E+01 Ellipticity 0.1344032E-01 Gb(Abramov) 0.1292511E+00 Vb(Abramov) -0.1562323E+00 Hb(Abramov) -0.2698122E-01 Ex_ueg -0.3393121E-01 Ec_ueg -0.5278676E-02 Delta_ex -0.3978311E-01 Delta_ec 0.1140594E-01 Delta_et -0.1414435E+00 Pxc 0.6427976E+01 Qxc -0.3487929E+01 3,-1 119 3 +1 0.243966 2.906894 -0.224835 Rho 0.5420962E-02 |GRAD(Rho)| 0.7386779E-17 GRAD(Rho)x 0.4240218E-17 GRAD(Rho)y -0.7167780E-18 GRAD(Rho)z -0.6005938E-17 Laplacian 0.2290403E-01 (-1/4)Del**2(Rho)) -0.5726007E-02 Diamond 0.5129649E-03 Metallicity 0.5033020E+00 Ellipticity -0.1805001E+01 Gb(Abramov) 0.4297656E-02 Vb(Abramov) -0.2869306E-02 Hb(Abramov) 0.1428350E-02 Ex_ueg -0.7033210E-03 Ec_ueg -0.1650733E-03 Delta_ex -0.1088006E-02 Delta_ec 0.5984501E-03 Delta_et -0.3379039E-02 Pxc 0.4260660E+01 Qxc -0.1818039E+01 3,+1 120 3 -1 0.573473 1.717521 -1.775470 Rho 0.4456721E-01 |GRAD(Rho)| 0.2532648E-12 GRAD(Rho)x 0.1562212E-12 GRAD(Rho)y -0.1957435E-12 GRAD(Rho)z 0.3771530E-13 Laplacian 0.1897419E+00 (-1/4)Del**2(Rho)) -0.4743548E-01 Diamond 0.8433873E-01 Metallicity 0.2034584E+01 Ellipticity 0.1025392E-01 Gb(Abramov) 0.4770890E-01 Vb(Abramov) -0.4798232E-01 Hb(Abramov) -0.2734210E-03 Ex_ueg -0.1167004E-01 Ec_ueg -0.2116846E-02 Delta_ex -0.1527850E-01 Delta_ec 0.5844648E-02 Delta_et -0.5982701E-01 Pxc 0.5512937E+01 Qxc -0.2614100E+01 3,-1 121 3 -1 -0.465214 -0.471966 -0.495464 Rho 0.1868360E+00 |GRAD(Rho)| 0.1302647E-14 GRAD(Rho)x 0.6314393E-15 GRAD(Rho)y 0.9089951E-15 GRAD(Rho)z 0.6869505E-15 Laplacian 0.5192088E+00 (-1/4)Del**2(Rho)) -0.1298022E+00 Diamond 0.1396058E+01 Metallicity 0.8104113E+01 Ellipticity 0.2747848E-02 Gb(Abramov) 0.2618568E+00 Vb(Abramov) -0.3939113E+00 Hb(Abramov) -0.1320546E+00 Ex_ueg -0.7888587E-01 Ec_ueg -0.1084194E-01 Delta_ex -0.5909235E-01 Delta_ec 0.1279994E-01 Delta_et -0.1760010E+00 Pxc 0.7275989E+01 Qxc -0.4616610E+01 3,-1 122 3 -1 -0.001656 0.043657 2.887281 Rho 0.5161944E-02 |GRAD(Rho)| 0.1283994E-17 GRAD(Rho)x 0.1151944E-17 GRAD(Rho)y -0.5656739E-18 GRAD(Rho)z 0.4099071E-19 Laplacian 0.2075361E-01 (-1/4)Del**2(Rho)) -0.5188403E-02 Diamond 0.5806508E-03 Metallicity 0.5119273E+00 Ellipticity 0.4732183E+01 Gb(Abramov) 0.3901616E-02 Vb(Abramov) -0.2614830E-02 Hb(Abramov) 0.1286787E-02 Ex_ueg -0.6588747E-03 Ec_ueg -0.1538886E-03 Delta_ex -0.1105404E-02 Delta_ec 0.7734507E-03 Delta_et -0.4192563E-02 Pxc 0.4281505E+01 Qxc -0.1429185E+01 3,-1 123 3 +1 0.191645 0.212318 -2.876925 Rho 0.5281665E-02 |GRAD(Rho)| 0.2061975E-13 GRAD(Rho)x 0.3006656E-15 GRAD(Rho)y -0.2050960E-13 GRAD(Rho)z -0.2107095E-14 Laplacian 0.2183128E-01 (-1/4)Del**2(Rho)) -0.5457821E-02 Diamond 0.4840353E-03 Metallicity 0.5056135E+00 Ellipticity -0.1975469E+01 Gb(Abramov) 0.4098472E-02 Vb(Abramov) -0.2739123E-02 Hb(Abramov) 0.1359349E-02 Ex_ueg -0.6793281E-03 Ec_ueg -0.1590541E-03 Delta_ex -0.1041773E-02 Delta_ec 0.5888210E-03 Delta_et -0.3290447E-02 Pxc 0.4271051E+01 Qxc -0.1769252E+01 3,+1 124 3 +1 0.167168 -0.123341 2.878144 Rho 0.5133955E-02 |GRAD(Rho)| 0.4890944E-17 GRAD(Rho)x 0.1956675E-17 GRAD(Rho)y 0.4403124E-17 GRAD(Rho)z -0.8397934E-18 Laplacian 0.2111380E-01 (-1/4)Del**2(Rho)) -0.5278451E-02 Diamond 0.5041865E-03 Metallicity 0.4986550E+00 Ellipticity -0.2994918E+01 Gb(Abramov) 0.3957655E-02 Vb(Abramov) -0.2636859E-02 Hb(Abramov) 0.1320796E-02 Ex_ueg -0.6541156E-03 Ec_ueg -0.1526820E-03 Delta_ex -0.1049754E-02 Delta_ec 0.6552476E-03 Delta_et -0.3590777E-02 Pxc 0.4284170E+01 Qxc -0.1602072E+01 3,+1 125 3 -1 -0.481135 0.479518 0.431463 Rho 0.1824918E+00 |GRAD(Rho)| 0.4102465E-15 GRAD(Rho)x 0.3920475E-15 GRAD(Rho)y 0.7632783E-16 GRAD(Rho)z -0.9367507E-16 Laplacian 0.4944995E+00 (-1/4)Del**2(Rho)) -0.1236249E+00 Diamond 0.1297859E+01 Metallicity 0.8181879E+01 Ellipticity 0.1176755E-01 Gb(Abramov) 0.2509972E+00 Vb(Abramov) -0.3783695E+00 Hb(Abramov) -0.1273723E+00 Ex_ueg -0.7644979E-01 Ec_ueg -0.1055499E-01 Delta_ex -0.5598902E-01 Delta_ec 0.1233852E-01 Delta_et -0.1694380E+00 Pxc 0.7243002E+01 Qxc -0.4537741E+01 3,-1 126 3 +1 0.517401 0.573248 1.651302 Rho 0.8109929E-02 |GRAD(Rho)| 0.9268415E-16 GRAD(Rho)x -0.6822858E-16 GRAD(Rho)y -0.1052717E-16 GRAD(Rho)z -0.6184165E-16 Laplacian 0.3117176E-01 (-1/4)Del**2(Rho)) -0.7792941E-02 Diamond 0.7956636E-03 Metallicity 0.7236805E+00 Ellipticity -0.1475428E+01 Gb(Abramov) 0.6135227E-02 Vb(Abramov) -0.4477513E-02 Hb(Abramov) 0.1657714E-02 Ex_ueg -0.1203394E-02 Ec_ueg -0.2831066E-03 Delta_ex -0.1415558E-02 Delta_ec 0.4608642E-03 Delta_et -0.3084360E-02 Pxc 0.4250674E+01 Qxc -0.3071529E+01 3,+1 127 3 +1 1.747477 -1.747884 -1.741769 Rho 0.1217990E-01 |GRAD(Rho)| 0.4928579E-17 GRAD(Rho)x 0.3750433E-17 GRAD(Rho)y -0.1416193E-17 GRAD(Rho)z 0.2866975E-17 Laplacian 0.6147937E-01 (-1/4)Del**2(Rho)) -0.1536984E-01 Diamond 0.2514504E-02 Metallicity 0.7226979E+00 Ellipticity -0.1250899E+01 Gb(Abramov) 0.1209785E-01 Vb(Abramov) -0.8825865E-02 Hb(Abramov) 0.3271989E-02 Ex_ueg -0.2069713E-02 Ec_ueg -0.4678803E-03 Delta_ex -0.3033936E-02 Delta_ec 0.7981127E-03 Delta_et -0.6006236E-02 Pxc 0.4423595E+01 Qxc -0.3801388E+01 3,+1 128 3 +1 0.538951 -1.670207 -0.538016 Rho 0.8926522E-02 |GRAD(Rho)| 0.1376595E-16 GRAD(Rho)x -0.3054857E-17 GRAD(Rho)y 0.1328864E-16 GRAD(Rho)z -0.1892417E-17 Laplacian 0.3478761E-01 (-1/4)Del**2(Rho)) -0.8696904E-02 Diamond 0.9717129E-03 Metallicity 0.7608967E+00 Ellipticity -0.1452763E+01 Gb(Abramov) 0.6900843E-02 Vb(Abramov) -0.5104783E-02 Hb(Abramov) 0.1796060E-02 Ex_ueg -0.1367607E-02 Ec_ueg -0.3196132E-03 Delta_ex -0.1600994E-02 Delta_ec 0.4835754E-03 Delta_et -0.3341771E-02 Pxc 0.4278946E+01 Qxc -0.3310743E+01 3,+1 129 3 -1 0.094133 -3.187501 -3.208816 Rho 0.2546746E+00 |GRAD(Rho)| 0.2067113E-15 GRAD(Rho)x -0.4100995E-16 GRAD(Rho)y -0.2023121E-15 GRAD(Rho)z -0.1084202E-16 Laplacian 0.9265019E+00 (-1/4)Del**2(Rho)) -0.2316255E+00 Diamond 0.3502848E+01 Metallicity 0.7610439E+01 Ellipticity 0.3735259E-02 Gb(Abramov) 0.4482122E+00 Vb(Abramov) -0.6647990E+00 Hb(Abramov) -0.2165868E+00 Ex_ueg -0.1192246E+00 Ec_ueg -0.1545942E-01 Delta_ex -0.1136131E+00 Delta_ec 0.1995902E-01 Delta_et -0.2761970E+00 Pxc 0.7712101E+01 Qxc -0.5692318E+01 3,-1 130 3 +1 0.171973 -2.884145 0.168054 Rho 0.5451260E-02 |GRAD(Rho)| 0.1400519E-15 GRAD(Rho)x 0.1392782E-15 GRAD(Rho)y 0.1429942E-16 GRAD(Rho)z -0.3410432E-17 Laplacian 0.2249002E-01 (-1/4)Del**2(Rho)) -0.5622505E-02 Diamond 0.5579112E-03 Metallicity 0.5173504E+00 Ellipticity -0.2612318E+01 Gb(Abramov) 0.4233137E-02 Vb(Abramov) -0.2843770E-02 Hb(Abramov) 0.1389367E-02 Ex_ueg -0.7085669E-03 Ec_ueg -0.1663837E-03 Delta_ex -0.1111303E-02 Delta_ec 0.6621305E-03 Delta_et -0.3708801E-02 Pxc 0.4258631E+01 Qxc -0.1678374E+01 3,+1 131 3 -1 -0.086289 -3.160097 3.214874 Rho 0.2548744E+00 |GRAD(Rho)| 0.1866988E-15 GRAD(Rho)x 0.6041717E-16 GRAD(Rho)y -0.7123208E-16 GRAD(Rho)z 0.1616545E-15 Laplacian 0.9262814E+00 (-1/4)Del**2(Rho)) -0.2315703E+00 Diamond 0.3505919E+01 Metallicity 0.7622203E+01 Ellipticity 0.1136962E-02 Gb(Abramov) 0.4485596E+00 Vb(Abramov) -0.6655488E+00 Hb(Abramov) -0.2169892E+00 Ex_ueg -0.1193493E+00 Ec_ueg -0.1547339E-01 Delta_ex -0.1136125E+00 Delta_ec 0.1995471E-01 Delta_et -0.2761654E+00 Pxc 0.7713198E+01 Qxc -0.5693516E+01 3,-1 132 3 -1 -0.571267 -2.751336 1.805286 Rho 0.1399907E+00 |GRAD(Rho)| 0.1754908E-14 GRAD(Rho)x 0.8393351E-15 GRAD(Rho)y 0.4725970E-15 GRAD(Rho)z 0.1466926E-14 Laplacian 0.5894811E+00 (-1/4)Del**2(Rho)) -0.1473703E+00 Diamond 0.1100385E+01 Metallicity 0.4412066E+01 Ellipticity 0.7262265E-02 Gb(Abramov) 0.2066147E+00 Vb(Abramov) -0.2658592E+00 Hb(Abramov) -0.5924448E-01 Ex_ueg -0.5368472E-01 Ec_ueg -0.7805887E-02 Delta_ex -0.6225378E-01 Delta_ec 0.1523020E-01 Delta_et -0.2007612E+00 Pxc 0.6877466E+01 Qxc -0.4087522E+01 3,-1 133 3 +1 1.393340 1.078162 -2.197507 Rho 0.2640800E-01 |GRAD(Rho)| 0.4555464E-16 GRAD(Rho)x 0.8216706E-17 GRAD(Rho)y -0.2901499E-17 GRAD(Rho)z 0.4471345E-16 Laplacian 0.1051426E+00 (-1/4)Del**2(Rho)) -0.2628566E-01 Diamond 0.1479515E-01 Metallicity 0.1534830E+01 Ellipticity -0.3576476E+01 Gb(Abramov) 0.2424777E-01 Vb(Abramov) -0.2220989E-01 Hb(Abramov) 0.2037885E-02 Ex_ueg -0.5808078E-02 Ec_ueg -0.1159863E-02 Delta_ex -0.6632450E-02 Delta_ec 0.1778071E-02 Delta_et -0.1590735E-01 Pxc 0.5007556E+01 Qxc -0.3730137E+01 3,+1 134 3 +3 1.138687 -1.117939 -1.097448 Rho 0.5313243E-02 |GRAD(Rho)| 0.4775555E-17 GRAD(Rho)x 0.3889299E-17 GRAD(Rho)y -0.9585981E-18 GRAD(Rho)z -0.2600070E-17 Laplacian 0.2058672E-01 (-1/4)Del**2(Rho)) -0.5146680E-02 Diamond 0.1534462E-03 Metallicity 0.5415338E+00 Ellipticity -0.7719609E-01 Gb(Abramov) 0.3895637E-02 Vb(Abramov) -0.2644593E-02 Hb(Abramov) 0.1251043E-02 Ex_ueg -0.6847489E-03 Ec_ueg -0.1604178E-03 Delta_ex -0.7209805E-03 Delta_ec 0.8639800E-04 Delta_et -0.7033814E-03 Pxc 0.4268536E+01 Qxc -0.8344874E+01 3,+3 135 3 -1 -0.019812 3.165731 -3.252843 Rho 0.2435648E+00 |GRAD(Rho)| 0.2928995E-14 GRAD(Rho)x -0.1825769E-14 GRAD(Rho)y -0.1629014E-15 GRAD(Rho)z -0.2284522E-14 Laplacian 0.8729752E+00 (-1/4)Del**2(Rho)) -0.2182438E+00 Diamond 0.3154333E+01 Metallicity 0.7498401E+01 Ellipticity 0.1320626E-02 Gb(Abramov) 0.4182425E+00 Vb(Abramov) -0.6182411E+00 Hb(Abramov) -0.1999987E+00 Ex_ueg -0.1123408E+00 Ec_ueg -0.1468588E-01 Delta_ex -0.1059409E+00 Delta_ec 0.1930830E-01 Delta_et -0.2680658E+00 Pxc 0.7649580E+01 Qxc -0.5486806E+01 3,-1 136 3 -1 0.043631 3.180765 3.247123 Rho 0.2454045E+00 |GRAD(Rho)| 0.3856181E-14 GRAD(Rho)x -0.9957313E-15 GRAD(Rho)y 0.3603617E-14 GRAD(Rho)z 0.9447738E-15 Laplacian 0.8664373E+00 (-1/4)Del**2(Rho)) -0.2166093E+00 Diamond 0.3174199E+01 Metallicity 0.7650331E+01 Ellipticity 0.1083760E-02 Gb(Abramov) 0.4205950E+00 Vb(Abramov) -0.6245808E+00 Hb(Abramov) -0.2039857E+00 Ex_ueg -0.1134737E+00 Ec_ueg -0.1481351E-01 Delta_ex -0.1054321E+00 Delta_ec 0.1925913E-01 Delta_et -0.2680717E+00 Pxc 0.7660147E+01 Qxc -0.5474396E+01 3,-1 137 3 -1 0.465093 -0.465302 0.451961 Rho 0.1877865E+00 |GRAD(Rho)| 0.4305191E-14 GRAD(Rho)x -0.2151057E-14 GRAD(Rho)y 0.2602085E-14 GRAD(Rho)z -0.2671474E-14 Laplacian 0.5196087E+00 (-1/4)Del**2(Rho)) -0.1299022E+00 Diamond 0.1404556E+01 Metallicity 0.8166655E+01 Ellipticity 0.2935223E-02 Gb(Abramov) 0.2634125E+00 Vb(Abramov) -0.3969228E+00 Hb(Abramov) -0.1335103E+00 Ex_ueg -0.7942142E-01 Ec_ueg -0.1090487E-01 Delta_ex -0.5920517E-01 Delta_ec 0.1277795E-01 Delta_et -0.1757475E+00 Pxc 0.7283112E+01 Qxc -0.4633385E+01 3,-1 138 3 -1 0.480064 0.476720 -0.494091 Rho 0.1908173E+00 |GRAD(Rho)| 0.5352964E-15 GRAD(Rho)x -0.2046974E-15 GRAD(Rho)y -0.2775558E-15 GRAD(Rho)z 0.4093947E-15 Laplacian 0.5336374E+00 (-1/4)Del**2(Rho)) -0.1334093E+00 Diamond 0.1468757E+01 Metallicity 0.8167011E+01 Ellipticity 0.7707954E-03 Gb(Abramov) 0.2705322E+00 Vb(Abramov) -0.4076550E+00 Hb(Abramov) -0.1371228E+00 Ex_ueg -0.8113508E-01 Ec_ueg -0.1110587E-01 Delta_ex -0.6103699E-01 Delta_ec 0.1304519E-01 Delta_et -0.1796497E+00 Pxc 0.7305604E+01 Qxc -0.4678890E+01 3,-1 139 3 +1 1.671775 0.525001 0.529333 Rho 0.8729015E-02 |GRAD(Rho)| 0.1333862E-16 GRAD(Rho)x 0.1141703E-16 GRAD(Rho)y 0.6547535E-17 GRAD(Rho)z 0.2167915E-17 Laplacian 0.3375917E-01 (-1/4)Del**2(Rho)) -0.8439792E-02 Diamond 0.9368044E-03 Metallicity 0.7553765E+00 Ellipticity -0.1481052E+01 Gb(Abramov) 0.6689065E-02 Vb(Abramov) -0.4938338E-02 Hb(Abramov) 0.1750727E-02 Ex_ueg -0.1327411E-02 Ec_ueg -0.3107563E-03 Delta_ex -0.1554635E-02 Delta_ec 0.4867520E-03 Delta_et -0.3330219E-02 Pxc 0.4271549E+01 Qxc -0.3193895E+01 3,+1 140 3 +1 1.204823 -2.166346 1.237158 Rho 0.2869875E-01 |GRAD(Rho)| 0.1342495E-14 GRAD(Rho)x -0.1197559E-14 GRAD(Rho)y -0.6037565E-15 GRAD(Rho)z -0.6019193E-16 Laplacian 0.1175535E+00 (-1/4)Del**2(Rho)) -0.2938837E-01 Diamond 0.2021611E-01 Metallicity 0.1576943E+01 Ellipticity -0.8415469E+01 Gb(Abramov) 0.2731621E-01 Vb(Abramov) -0.2524405E-01 Hb(Abramov) 0.2072160E-02 Ex_ueg -0.6489368E-02 Ec_ueg -0.1276685E-02 Delta_ex -0.7733572E-02 Delta_ec 0.2256682E-02 Delta_et -0.2056262E-01 Pxc 0.5082984E+01 Qxc -0.3426965E+01 3,+1 141 3 +1 2.892625 0.164915 -0.191058 Rho 0.5131039E-02 |GRAD(Rho)| 0.2828297E-13 GRAD(Rho)x -0.4761424E-14 GRAD(Rho)y -0.1194100E-14 GRAD(Rho)z -0.2785372E-13 Laplacian 0.2117754E-01 (-1/4)Del**2(Rho)) -0.5294385E-02 Diamond 0.4882207E-03 Metallicity 0.4966836E+00 Ellipticity -0.2475971E+01 Gb(Abramov) 0.3967862E-02 Vb(Abramov) -0.2641340E-02 Hb(Abramov) 0.1326523E-02 Ex_ueg -0.6536201E-03 Ec_ueg -0.1525563E-03 Delta_ex -0.1037465E-02 Delta_ec 0.6298350E-03 Delta_et -0.3462131E-02 Pxc 0.4284453E+01 Qxc -0.1647201E+01 3,+1 142 3 -1 0.570407 1.814518 2.800361 Rho 0.1387849E+00 |GRAD(Rho)| 0.2727735E-15 GRAD(Rho)x -0.2101997E-15 GRAD(Rho)y -0.1733504E-15 GRAD(Rho)z 0.1308158E-16 Laplacian 0.5819157E+00 (-1/4)Del**2(Rho)) -0.1454789E+00 Diamond 0.1057875E+01 Metallicity 0.4405449E+01 Ellipticity 0.1871729E-01 Gb(Abramov) 0.2038026E+00 Vb(Abramov) -0.2621263E+00 Hb(Abramov) -0.5832369E-01 Ex_ueg -0.5306906E-01 Ec_ueg -0.7729499E-02 Delta_ex -0.6113602E-01 Delta_ec 0.1472794E-01 Delta_et -0.1931905E+00 Pxc 0.6865783E+01 Qxc -0.4151024E+01 3,-1 143 3 -1 1.978399 3.002820 -0.855086 Rho 0.1282821E+00 |GRAD(Rho)| 0.7196695E-15 GRAD(Rho)x -0.1649343E-15 GRAD(Rho)y 0.2659480E-15 GRAD(Rho)z -0.6480683E-15 Laplacian 0.4995887E+00 (-1/4)Del**2(Rho)) -0.1248972E+00 Diamond 0.8350851E+00 Metallicity 0.4500669E+01 Ellipticity 0.4635313E-01 Gb(Abramov) 0.1769516E+00 Vb(Abramov) -0.2290060E+00 Hb(Abramov) -0.5205441E-01 Ex_ueg -0.4778295E-01 Ec_ueg -0.7068114E-02 Delta_ex -0.5160043E-01 Delta_ec 0.1308127E-01 Delta_et -0.1698902E+00 Pxc 0.6760354E+01 Qxc -0.3944603E+01 3,-1 144 3 -1 0.848958 -1.963647 2.988732 Rho 0.1414165E+00 |GRAD(Rho)| 0.1562567E-13 GRAD(Rho)x 0.6908279E-14 GRAD(Rho)y 0.1238420E-13 GRAD(Rho)z -0.6562669E-14 Laplacian 0.5550265E+00 (-1/4)Del**2(Rho)) -0.1387566E+00 Diamond 0.1053695E+01 Metallicity 0.4765766E+01 Ellipticity 0.3483093E-01 Gb(Abramov) 0.2027180E+00 Vb(Abramov) -0.2666795E+00 Hb(Abramov) -0.6396141E-01 Ex_ueg -0.5441497E-01 Ec_ueg -0.7896329E-02 Delta_ex -0.5881322E-01 Delta_ec 0.1439962E-01 Delta_et -0.1903023E+00 Pxc 0.6891173E+01 Qxc -0.4084359E+01 3,-1 145 3 +1 2.901200 -0.169103 0.144877 Rho 0.5156126E-02 |GRAD(Rho)| 0.1027616E-15 GRAD(Rho)x 0.6495320E-17 GRAD(Rho)y -0.6446349E-16 GRAD(Rho)z 0.7976352E-16 Laplacian 0.2119398E-01 (-1/4)Del**2(Rho)) -0.5298494E-02 Diamond 0.5091356E-03 Metallicity 0.5003491E+00 Ellipticity -0.2988564E+01 Gb(Abramov) 0.3974179E-02 Vb(Abramov) -0.2649864E-02 Hb(Abramov) 0.1324315E-02 Ex_ueg -0.6578846E-03 Ec_ueg -0.1536377E-03 Delta_ex -0.1054708E-02 Delta_ec 0.6578849E-03 Delta_et -0.3609827E-02 Pxc 0.4282052E+01 Qxc -0.1603180E+01 3,+1 146 3 +1 1.384849 -1.058607 2.151527 Rho 0.2795960E-01 |GRAD(Rho)| 0.1822587E-16 GRAD(Rho)x -0.1233971E-16 GRAD(Rho)y -0.2712697E-18 GRAD(Rho)z -0.1341045E-16 Laplacian 0.1130802E+00 (-1/4)Del**2(Rho)) -0.2827006E-01 Diamond 0.1716681E-01 Metallicity 0.1569561E+01 Ellipticity -0.3666329E+01 Gb(Abramov) 0.2624197E-01 Vb(Abramov) -0.2421388E-01 Hb(Abramov) 0.2028090E-02 Ex_ueg -0.6267481E-02 Ec_ueg -0.1238850E-02 Delta_ex -0.7238982E-02 Delta_ec 0.1904394E-02 Delta_et -0.1727457E-01 Pxc 0.5059114E+01 Qxc -0.3801201E+01 3,+1 147 3 +1 1.327552 2.176805 -1.152037 Rho 0.2782275E-01 |GRAD(Rho)| 0.1074601E-16 GRAD(Rho)x -0.5738336E-17 GRAD(Rho)y -0.8537032E-17 GRAD(Rho)z 0.3109222E-17 Laplacian 0.1140771E+00 (-1/4)Del**2(Rho)) -0.2851927E-01 Diamond 0.1897671E-01 Metallicity 0.1543174E+01 Ellipticity -0.8179306E+01 Gb(Abramov) 0.2634788E-01 Vb(Abramov) -0.2417649E-01 Hb(Abramov) 0.2171390E-02 Ex_ueg -0.6226612E-02 Ec_ueg -0.1231859E-02 Delta_ex -0.7460328E-02 Delta_ec 0.2219655E-02 Delta_et -0.2006498E-01 Pxc 0.5054647E+01 Qxc -0.3361031E+01 3,+1 148 3 -1 1.740613 -0.531388 1.722770 Rho 0.4160752E-01 |GRAD(Rho)| 0.2832835E-16 GRAD(Rho)x 0.1249861E-16 GRAD(Rho)y -0.4991883E-17 GRAD(Rho)z -0.2492712E-16 Laplacian 0.1759247E+00 (-1/4)Del**2(Rho)) -0.4398117E-01 Diamond 0.7096651E-01 Metallicity 0.1956918E+01 Ellipticity 0.1259946E-01 Gb(Abramov) 0.4366538E-01 Vb(Abramov) -0.4334958E-01 Hb(Abramov) 0.3157959E-03 Ex_ueg -0.1064831E-01 Ec_ueg -0.1956511E-02 Delta_ex -0.1391291E-01 Delta_ec 0.5396065E-02 Delta_et -0.5421969E-01 Pxc 0.5442502E+01 Qxc -0.2578344E+01 3,-1 149 3 -1 1.835243 -0.557998 -2.746281 Rho 0.1173149E+00 |GRAD(Rho)| 0.1595999E-15 GRAD(Rho)x 0.1485357E-16 GRAD(Rho)y -0.1141191E-15 GRAD(Rho)z -0.1105818E-15 Laplacian 0.4895777E+00 (-1/4)Del**2(Rho)) -0.1223944E+00 Diamond 0.7303473E+00 Metallicity 0.3957129E+01 Ellipticity 0.4744085E-02 Gb(Abramov) 0.1623181E+00 Vb(Abramov) -0.2022417E+00 Hb(Abramov) -0.3992362E-01 Ex_ueg -0.4241531E-01 Ec_ueg -0.6385373E-02 Delta_ex -0.4943127E-01 Delta_ec 0.1297749E-01 Delta_et -0.1658227E+00 Pxc 0.6642574E+01 Qxc -0.3809002E+01 3,-1 150 3 -1 1.975266 -3.010671 0.878143 Rho 0.1511775E+00 |GRAD(Rho)| 0.1974534E-11 GRAD(Rho)x -0.1409766E-11 GRAD(Rho)y 0.9192843E-12 GRAD(Rho)z 0.1032598E-11 Laplacian 0.5982112E+00 (-1/4)Del**2(Rho)) -0.1495528E+00 Diamond 0.1227686E+01 Metallicity 0.4942015E+01 Ellipticity 0.4155532E-01 Gb(Abramov) 0.2228839E+00 Vb(Abramov) -0.2962150E+00 Hb(Abramov) -0.7333110E-01 Ex_ueg -0.5947960E-01 Ec_ueg -0.8518936E-02 Delta_ex -0.6440506E-01 Delta_ec 0.1521841E-01 Delta_et -0.2029696E+00 Pxc 0.6982046E+01 Qxc -0.4232050E+01 3,-1 151 3 +1 1.758087 1.755085 1.734822 Rho 0.1200329E-01 |GRAD(Rho)| 0.1161350E-16 GRAD(Rho)x -0.7618650E-17 GRAD(Rho)y -0.4803603E-18 GRAD(Rho)z 0.8752070E-17 Laplacian 0.6064673E-01 (-1/4)Del**2(Rho)) -0.1516168E-01 Diamond 0.2446494E-02 Metallicity 0.7150002E+00 Ellipticity -0.1248432E+01 Gb(Abramov) 0.1191456E-01 Vb(Abramov) -0.8667429E-02 Hb(Abramov) 0.3247126E-02 Ex_ueg -0.2029794E-02 Ec_ueg -0.4597208E-03 Delta_ex -0.2985734E-02 Delta_ec 0.7951655E-03 Delta_et -0.5956691E-02 Pxc 0.4415276E+01 Qxc -0.3754859E+01 3,+1 152 3 -1 1.843704 0.569114 2.765496 Rho 0.1255429E+00 |GRAD(Rho)| 0.2249950E-15 GRAD(Rho)x -0.1758034E-15 GRAD(Rho)y 0.1368805E-15 GRAD(Rho)z 0.3129956E-16 Laplacian 0.5268474E+00 (-1/4)Del**2(Rho)) -0.1317118E+00 Diamond 0.8538713E+00 Metallicity 0.4117010E+01 Ellipticity 0.8215393E-02 Gb(Abramov) 0.1781844E+00 Vb(Abramov) -0.2246569E+00 Hb(Abramov) -0.4647255E-01 Ex_ueg -0.4642743E-01 Ec_ueg -0.6896822E-02 Delta_ex -0.5408056E-01 Delta_ec 0.1377071E-01 Delta_et -0.1780402E+00 Pxc 0.6731713E+01 Qxc -0.3927217E+01 3,-1 153 3 -1 2.029771 0.825903 -2.990672 Rho 0.1088327E+00 |GRAD(Rho)| 0.4533252E-15 GRAD(Rho)x -0.2900241E-16 GRAD(Rho)y 0.3352963E-15 GRAD(Rho)z 0.3037087E-15 Laplacian 0.4227508E+00 (-1/4)Del**2(Rho)) -0.1056877E+00 Diamond 0.5811401E+00 Metallicity 0.4043843E+01 Ellipticity 0.2312833E-01 Gb(Abramov) 0.1416892E+00 Vb(Abramov) -0.1776907E+00 Hb(Abramov) -0.3600152E-01 Ex_ueg -0.3837640E-01 Ec_ueg -0.5863143E-02 Delta_ex -0.4200578E-01 Delta_ec 0.1153693E-01 Delta_et -0.1456317E+00 Pxc 0.6545363E+01 Qxc -0.3640983E+01 3,-1 154 3 +1 2.173898 1.405025 -1.071424 Rho 0.2778566E-01 |GRAD(Rho)| 0.1367628E-16 GRAD(Rho)x 0.4990018E-17 GRAD(Rho)y -0.3957287E-17 GRAD(Rho)z 0.1210290E-16 Laplacian 0.1121420E+00 (-1/4)Del**2(Rho)) -0.2803551E-01 Diamond 0.1685685E-01 Metallicity 0.1566315E+01 Ellipticity -0.3595597E+01 Gb(Abramov) 0.2600908E-01 Vb(Abramov) -0.2398265E-01 Hb(Abramov) 0.2026428E-02 Ex_ueg -0.6215547E-02 Ec_ueg -0.1229965E-02 Delta_ex -0.7164818E-02 Delta_ec 0.1884928E-02 Delta_et -0.1707304E-01 Pxc 0.5053433E+01 Qxc -0.3801109E+01 3,+1 155 3 -1 1.720220 1.750712 -0.524505 Rho 0.4397926E-01 |GRAD(Rho)| 0.4577070E-16 GRAD(Rho)x -0.2535953E-16 GRAD(Rho)y 0.2050031E-17 GRAD(Rho)z -0.3804798E-16 Laplacian 0.1853075E+00 (-1/4)Del**2(Rho)) -0.4632686E-01 Diamond 0.8079252E-01 Metallicity 0.2037668E+01 Ellipticity 0.9767825E-02 Gb(Abramov) 0.4661770E-01 Vb(Abramov) -0.4690855E-01 Hb(Abramov) -0.2908415E-03 Ex_ueg -0.1146522E-01 Ec_ueg -0.2084877E-02 Delta_ex -0.1486717E-01 Delta_ec 0.5699255E-02 Delta_et -0.5812975E-01 Pxc 0.5499230E+01 Qxc -0.2608616E+01 3,-1 156 3 +3 2.340112 -0.017985 -0.008284 Rho 0.4547249E-02 |GRAD(Rho)| 0.7431932E-15 GRAD(Rho)x -0.5517548E-15 GRAD(Rho)y 0.3708546E-15 GRAD(Rho)z -0.3322193E-15 Laplacian 0.1846315E-01 (-1/4)Del**2(Rho)) -0.4615787E-02 Diamond 0.1677812E-03 Metallicity 0.4658242E+00 Ellipticity -0.3343439E+00 Gb(Abramov) 0.3435549E-02 Vb(Abramov) -0.2255311E-02 Hb(Abramov) 0.1180238E-02 Ex_ueg -0.5563952E-03 Ec_ueg -0.1274814E-03 Delta_ex -0.6788418E-03 Delta_ec 0.1839749E-03 Delta_et -0.1133211E-02 Pxc 0.4364520E+01 Qxc -0.3689861E+01 3,+3 157 3 -1 1.770885 0.524307 -1.716755 Rho 0.4373797E-01 |GRAD(Rho)| 0.3459891E-16 GRAD(Rho)x 0.1154908E-16 GRAD(Rho)y -0.3218556E-16 GRAD(Rho)z -0.5271933E-17 Laplacian 0.1846880E+00 (-1/4)Del**2(Rho)) -0.4617199E-01 Diamond 0.7985558E-01 Metallicity 0.2025842E+01 Ellipticity 0.2661952E-01 Gb(Abramov) 0.4637085E-01 Vb(Abramov) -0.4656971E-01 Hb(Abramov) -0.1988612E-03 Ex_ueg -0.1138142E-01 Ec_ueg -0.2071773E-02 Delta_ex -0.1479383E-01 Delta_ec 0.5674246E-02 Delta_et -0.5778821E-01 Pxc 0.5493565E+01 Qxc -0.2607189E+01 3,-1 158 3 -1 1.713504 -1.745129 0.542552 Rho 0.4497710E-01 |GRAD(Rho)| 0.4634670E-16 GRAD(Rho)x -0.4543485E-17 GRAD(Rho)y 0.1851614E-16 GRAD(Rho)z 0.4224365E-16 Laplacian 0.1820812E+00 (-1/4)Del**2(Rho)) -0.4552031E-01 Diamond 0.7869241E-01 Metallicity 0.2152784E+01 Ellipticity 0.1367135E-01 Gb(Abramov) 0.4667944E-01 Vb(Abramov) -0.4783857E-01 Hb(Abramov) -0.1159130E-02 Ex_ueg -0.1181337E-01 Ec_ueg -0.2139168E-02 Delta_ex -0.1453344E-01 Delta_ec 0.5319927E-02 Delta_et -0.5453396E-01 Pxc 0.5522413E+01 Qxc -0.2731888E+01 3,-1 159 3 -1 2.011651 -0.841215 2.974117 Rho 0.1318769E+00 |GRAD(Rho)| 0.2598055E-15 GRAD(Rho)x -0.1320829E-15 GRAD(Rho)y 0.1999811E-15 GRAD(Rho)z -0.1003023E-15 Laplacian 0.5166520E+00 (-1/4)Del**2(Rho)) -0.1291630E+00 Diamond 0.8891188E+00 Metallicity 0.4557178E+01 Ellipticity 0.4678688E-01 Gb(Abramov) 0.1842118E+00 Vb(Abramov) -0.2392606E+00 Hb(Abramov) -0.5504879E-01 Ex_ueg -0.4957657E-01 Ec_ueg -0.7293672E-02 Delta_ex -0.5367694E-01 Delta_ec 0.1336173E-01 Delta_et -0.1741579E+00 Pxc 0.6797203E+01 Qxc -0.4017216E+01 3,-1 160 3 -1 1.791557 2.797288 0.580855 Rho 0.1473995E+00 |GRAD(Rho)| 0.2264323E-12 GRAD(Rho)x 0.1697254E-12 GRAD(Rho)y -0.2091502E-13 GRAD(Rho)z -0.1484164E-12 Laplacian 0.6192342E+00 (-1/4)Del**2(Rho)) -0.1548086E+00 Diamond 0.1206767E+01 Metallicity 0.4577043E+01 Ellipticity 0.2376711E-01 Gb(Abramov) 0.2212999E+00 Vb(Abramov) -0.2877913E+00 Hb(Abramov) -0.6649138E-01 Ex_ueg -0.5750600E-01 Ec_ueg -0.8277254E-02 Delta_ex -0.6599039E-01 Delta_ec 0.1537864E-01 Delta_et -0.2033156E+00 Pxc 0.6947473E+01 Qxc -0.4291042E+01 3,-1 161 3 -1 2.761691 1.827907 0.560126 Rho 0.1318705E+00 |GRAD(Rho)| 0.8287531E-15 GRAD(Rho)x -0.2670559E-15 GRAD(Rho)y 0.6485291E-15 GRAD(Rho)z -0.4415007E-15 Laplacian 0.5494483E+00 (-1/4)Del**2(Rho)) -0.1373621E+00 Diamond 0.9422547E+00 Metallicity 0.4284820E+01 Ellipticity 0.7474149E-02 Gb(Abramov) 0.1896700E+00 Vb(Abramov) -0.2419779E+00 Hb(Abramov) -0.5230792E-01 Ex_ueg -0.4957340E-01 Ec_ueg -0.7293274E-02 Delta_ex -0.5704517E-01 Delta_ec 0.1414145E-01 Delta_et -0.1841872E+00 Pxc 0.6797139E+01 Qxc -0.4033898E+01 3,-1 162 3 -1 2.964855 2.015546 -0.845577 Rho 0.1121229E+00 |GRAD(Rho)| 0.7162261E-16 GRAD(Rho)x 0.1419966E-16 GRAD(Rho)y -0.5736785E-16 GRAD(Rho)z -0.4046107E-16 Laplacian 0.4340773E+00 (-1/4)Del**2(Rho)) -0.1085193E+00 Diamond 0.6182809E+00 Metallicity 0.4138755E+01 Ellipticity 0.2667762E-01 Gb(Abramov) 0.1472020E+00 Vb(Abramov) -0.1858847E+00 Hb(Abramov) -0.3868270E-01 Ex_ueg -0.3993104E-01 Ec_ueg -0.6065089E-02 Delta_ex -0.4343237E-01 Delta_ec 0.1176024E-01 Delta_et -0.1492632E+00 Pxc 0.6583752E+01 Qxc -0.3693153E+01 3,-1 163 3 -1 2.776902 -1.846319 -0.547899 Rho 0.1318228E+00 |GRAD(Rho)| 0.4053275E-15 GRAD(Rho)x -0.8964997E-16 GRAD(Rho)y -0.3544121E-15 GRAD(Rho)z 0.1750580E-15 Laplacian 0.5551613E+00 (-1/4)Del**2(Rho)) -0.1387903E+00 Diamond 0.9676227E+00 Metallicity 0.4238170E+01 Ellipticity 0.1188082E-01 Gb(Abramov) 0.1905630E+00 Vb(Abramov) -0.2423358E+00 Hb(Abramov) -0.5177273E-01 Ex_ueg -0.4954950E-01 Ec_ueg -0.7290277E-02 Delta_ex -0.5782241E-01 Delta_ec 0.1462745E-01 Delta_et -0.1911604E+00 Pxc 0.6796655E+01 Qxc -0.3953006E+01 3,-1 164 3 -1 2.990127 -2.015241 0.858337 Rho 0.1448117E+00 |GRAD(Rho)| 0.6758698E-16 GRAD(Rho)x 0.4770490E-17 GRAD(Rho)y -0.6471332E-16 GRAD(Rho)z 0.1890578E-16 Laplacian 0.5709164E+00 (-1/4)Del**2(Rho)) -0.1427291E+00 Diamond 0.1114933E+01 Metallicity 0.4819997E+01 Ellipticity 0.3538106E-01 Gb(Abramov) 0.2098117E+00 Vb(Abramov) -0.2768943E+00 Hb(Abramov) -0.6708261E-01 Ex_ueg -0.5616382E-01 Ec_ueg -0.8112220E-02 Delta_ex -0.6084530E-01 Delta_ec 0.1472142E-01 Delta_et -0.1952329E+00 Pxc 0.6923360E+01 Qxc -0.4133113E+01 3,-1 165 3 -1 3.161384 3.224755 0.078982 Rho 0.2433362E+00 |GRAD(Rho)| 0.2638716E-15 GRAD(Rho)x -0.2416687E-15 GRAD(Rho)y 0.3431500E-16 GRAD(Rho)z -0.1002345E-15 Laplacian 0.8690475E+00 (-1/4)Del**2(Rho)) -0.2172619E+00 Diamond 0.3140529E+01 Metallicity 0.7520513E+01 Ellipticity 0.1100905E-02 Gb(Abramov) 0.4171614E+00 Vb(Abramov) -0.6170609E+00 Hb(Abramov) -0.1998995E+00 Ex_ueg -0.1122003E+00 Ec_ueg -0.1467004E-01 Delta_ex -0.1054589E+00 Delta_ec 0.1926352E-01 Delta_et -0.2676000E+00 Pxc 0.7648261E+01 Qxc -0.5474540E+01 3,-1 166 3 -1 2.811734 -0.592056 -1.789825 Rho 0.1427022E+00 |GRAD(Rho)| 0.4559214E-15 GRAD(Rho)x 0.5063902E-16 GRAD(Rho)y 0.3004595E-15 GRAD(Rho)z -0.3391520E-15 Laplacian 0.6031230E+00 (-1/4)Del**2(Rho)) -0.1507808E+00 Diamond 0.1134295E+01 Metallicity 0.4452375E+01 Ellipticity 0.1997652E-01 Gb(Abramov) 0.2124093E+00 Vb(Abramov) -0.2740378E+00 Hb(Abramov) -0.6162850E-01 Ex_ueg -0.5507561E-01 Ec_ueg -0.7977999E-02 Delta_ex -0.6380357E-01 Delta_ec 0.1517149E-01 Delta_et -0.1998365E+00 Pxc 0.6903436E+01 Qxc -0.4205491E+01 3,-1 167 3 -1 2.903029 -0.025690 -0.000789 Rho 0.5179843E-02 |GRAD(Rho)| 0.5416686E-16 GRAD(Rho)x -0.9718838E-17 GRAD(Rho)y 0.5294595E-16 GRAD(Rho)z -0.6026552E-17 Laplacian 0.2074623E-01 (-1/4)Del**2(Rho)) -0.5186559E-02 Diamond 0.5903604E-03 Metallicity 0.5150723E+00 Ellipticity 0.2923584E+01 Gb(Abramov) 0.3902948E-02 Vb(Abramov) -0.2619337E-02 Hb(Abramov) 0.1283611E-02 Ex_ueg -0.6619225E-03 Ec_ueg -0.1546604E-03 Delta_ex -0.1112096E-02 Delta_ec 0.7845809E-03 Delta_et -0.4253506E-02 Pxc 0.4279846E+01 Qxc -0.1417440E+01 3,-1 168 3 -1 3.005745 -0.857766 1.977209 Rho 0.1314757E+00 |GRAD(Rho)| 0.1572212E-15 GRAD(Rho)x -0.5692061E-16 GRAD(Rho)y -0.2455718E-16 GRAD(Rho)z 0.1444835E-15 Laplacian 0.5171914E+00 (-1/4)Del**2(Rho)) -0.1292979E+00 Diamond 0.8879382E+00 Metallicity 0.4529366E+01 Ellipticity 0.4519192E-01 Gb(Abramov) 0.1838048E+00 Vb(Abramov) -0.2383117E+00 Hb(Abramov) -0.5450694E-01 Ex_ueg -0.4937558E-01 Ec_ueg -0.7268457E-02 Delta_ex -0.5370693E-01 Delta_ec 0.1340975E-01 Delta_et -0.1747464E+00 Pxc 0.6793131E+01 Qxc -0.4005067E+01 3,-1 169 3 -1 3.246612 -0.086994 -3.157572 Rho 0.2437873E+00 |GRAD(Rho)| 0.5931251E-15 GRAD(Rho)x -0.3647798E-15 GRAD(Rho)y 0.6638028E-16 GRAD(Rho)z 0.4629543E-15 Laplacian 0.8700046E+00 (-1/4)Del**2(Rho)) -0.2175012E+00 Diamond 0.3150971E+01 Metallicity 0.7535465E+01 Ellipticity 0.1765792E-02 Gb(Abramov) 0.4181628E+00 Vb(Abramov) -0.6188245E+00 Hb(Abramov) -0.2006617E+00 Ex_ueg -0.1124777E+00 Ec_ueg -0.1470131E-01 Delta_ex -0.1056260E+00 Delta_ec 0.1927380E-01 Delta_et -0.2677578E+00 Pxc 0.7650863E+01 Qxc -0.5480292E+01 3,-1 170 3 -1 3.229573 0.061350 3.174815 Rho 0.2445853E+00 |GRAD(Rho)| 0.2665982E-12 GRAD(Rho)x -0.1865803E-12 GRAD(Rho)y -0.4780551E-13 GRAD(Rho)z -0.1843286E-12 Laplacian 0.8678502E+00 (-1/4)Del**2(Rho)) -0.2169626E+00 Diamond 0.3158931E+01 Metallicity 0.7595432E+01 Ellipticity 0.1353004E-02 Gb(Abramov) 0.4192957E+00 Vb(Abramov) -0.6216289E+00 Hb(Abramov) -0.2023332E+00 Ex_ueg -0.1129689E+00 Ec_ueg -0.1475666E-01 Delta_ex -0.1054720E+00 Delta_ec 0.1923862E-01 Delta_et -0.2674380E+00 Pxc 0.7655453E+01 Qxc -0.5482306E+01 3,-1 171 3 -1 3.183298 -3.247470 -0.033352 Rho 0.2556126E+00 |GRAD(Rho)| 0.3935381E-15 GRAD(Rho)x 0.1108055E-15 GRAD(Rho)y -0.3255859E-15 GRAD(Rho)z -0.1912804E-15 Laplacian 0.9247894E+00 (-1/4)Del**2(Rho)) -0.2311974E+00 Diamond 0.3516981E+01 Metallicity 0.7671389E+01 Ellipticity 0.1028222E-02 Gb(Abramov) 0.4497324E+00 Vb(Abramov) -0.6682674E+00 Hb(Abramov) -0.2185350E+00 Ex_ueg -0.1198104E+00 Ec_ueg -0.1552504E-01 Delta_ex -0.1135379E+00 Delta_ec 0.1994417E-01 Delta_et -0.2762195E+00 Pxc 0.7717241E+01 Qxc -0.5692784E+01 3,-1 172 3 -1 -2.998727 0.872417 1.984635 Rho 0.1514907E+00 |GRAD(Rho)| 0.8060801E-15 GRAD(Rho)x -0.4839607E-15 GRAD(Rho)y 0.5261633E-15 GRAD(Rho)z -0.3724234E-15 Laplacian 0.6009086E+00 (-1/4)Del**2(Rho)) -0.1502272E+00 Diamond 0.1234867E+01 Metallicity 0.4936830E+01 Ellipticity 0.5794186E-01 Gb(Abramov) 0.2237591E+00 Vb(Abramov) -0.2972910E+00 Hb(Abramov) -0.7353193E-01 Ex_ueg -0.5964396E-01 Ec_ueg -0.8539010E-02 Delta_ex -0.6471440E-01 Delta_ec 0.1525417E-01 Delta_et -0.2034468E+00 Pxc 0.6984880E+01 Qxc -0.4242406E+01 3,-1 173 3 -1 -2.982078 -0.855070 -2.010993 Rho 0.1339752E+00 |GRAD(Rho)| 0.1430881E-15 GRAD(Rho)x 0.4838252E-17 GRAD(Rho)y 0.1050592E-15 GRAD(Rho)z -0.9702254E-16 Laplacian 0.5244892E+00 (-1/4)Del**2(Rho)) -0.1311223E+00 Diamond 0.9195737E+00 Metallicity 0.4608762E+01 Ellipticity 0.5005172E-01 Gb(Abramov) 0.1881334E+00 Vb(Abramov) -0.2451446E+00 Hb(Abramov) -0.5701114E-01 Ex_ueg -0.5063115E-01 Ec_ueg -0.7425732E-02 Delta_ex -0.5469650E-01 Delta_ec 0.1350625E-01 Delta_et -0.1764635E+00 Pxc 0.6818339E+01 Qxc -0.4049717E+01 3,-1 174 3 -1 -2.795830 -0.561866 1.790837 Rho 0.1484665E+00 |GRAD(Rho)| 0.1844012E-15 GRAD(Rho)x -0.9676504E-16 GRAD(Rho)y -0.1472347E-15 GRAD(Rho)z 0.5442695E-16 Laplacian 0.6264301E+00 (-1/4)Del**2(Rho)) -0.1566075E+00 Diamond 0.1251963E+01 Metallicity 0.4579183E+01 Ellipticity 0.1206960E-01 Gb(Abramov) 0.2239274E+00 Vb(Abramov) -0.2912473E+00 Hb(Abramov) -0.6731990E-01 Ex_ueg -0.5806169E-01 Ec_ueg -0.8345420E-02 Delta_ex -0.6708364E-01 Delta_ec 0.1589982E-01 Delta_et -0.2112748E+00 Pxc 0.6957312E+01 Qxc -0.4219145E+01 3,-1 175 3 -1 -3.240147 -0.059185 3.177452 Rho 0.2555551E+00 |GRAD(Rho)| 0.4392507E-14 GRAD(Rho)x 0.3710357E-14 GRAD(Rho)y 0.1795385E-14 GRAD(Rho)z -0.1517883E-14 Laplacian 0.9234155E+00 (-1/4)Del**2(Rho)) -0.2308539E+00 Diamond 0.3513654E+01 Metallicity 0.7679922E+01 Ellipticity 0.1117840E-02 Gb(Abramov) 0.4493925E+00 Vb(Abramov) -0.6679312E+00 Hb(Abramov) -0.2185387E+00 Ex_ueg -0.1197745E+00 Ec_ueg -0.1552101E-01 Delta_ex -0.1133764E+00 Delta_ec 0.1994083E-01 Delta_et -0.2762920E+00 Pxc 0.7716926E+01 Qxc -0.5685643E+01 3,-1 176 3 -1 -2.724718 1.791135 -0.547429 Rho 0.1746708E+00 |GRAD(Rho)| 0.4201991E-15 GRAD(Rho)x 0.6055269E-16 GRAD(Rho)y -0.3326603E-15 GRAD(Rho)z -0.2494749E-15 Laplacian 0.7324107E+00 (-1/4)Del**2(Rho)) -0.1831027E+00 Diamond 0.1759586E+01 Metallicity 0.5135219E+01 Ellipticity 0.1706029E-01 Gb(Abramov) 0.2787805E+00 Vb(Abramov) -0.3744583E+00 Hb(Abramov) -0.9567782E-01 Ex_ueg -0.7211275E-01 Ec_ueg -0.1004109E-01 Delta_ex -0.8150174E-01 Delta_ec 0.1755095E-01 Delta_et -0.2372086E+00 Pxc 0.7181769E+01 Qxc -0.4643722E+01 3,-1 177 3 -1 0.882492 2.975069 -2.045495 Rho 0.1372499E+00 |GRAD(Rho)| 0.3763530E-15 GRAD(Rho)x -0.3137817E-15 GRAD(Rho)y 0.1013729E-16 GRAD(Rho)z -0.2075570E-15 Laplacian 0.5315166E+00 (-1/4)Del**2(Rho)) -0.1328792E+00 Diamond 0.9645402E+00 Metallicity 0.4734595E+01 Ellipticity 0.4726520E-01 Gb(Abramov) 0.1934409E+00 Vb(Abramov) -0.2540027E+00 Hb(Abramov) -0.6056179E-01 Ex_ueg -0.5228787E-01 Ec_ueg -0.7632387E-02 Delta_ex -0.5581425E-01 Delta_ec 0.1371155E-01 Delta_et -0.1800223E+00 Pxc 0.6850789E+01 Qxc -0.4070601E+01 3,-1 178 3 -1 0.837412 -2.972050 2.001938 Rho 0.1341453E+00 |GRAD(Rho)| 0.1937693E-14 GRAD(Rho)x -0.1116932E-14 GRAD(Rho)y 0.8474124E-15 GRAD(Rho)z 0.1337540E-14 Laplacian 0.5314757E+00 (-1/4)Del**2(Rho)) -0.1328689E+00 Diamond 0.9471213E+00 Metallicity 0.4557800E+01 Ellipticity 0.2544962E-01 Gb(Abramov) 0.1895109E+00 Vb(Abramov) -0.2461530E+00 Hb(Abramov) -0.5664202E-01 Ex_ueg -0.5071683E-01 Ec_ueg -0.7436443E-02 Delta_ex -0.5560260E-01 Delta_ec 0.1396842E-01 Delta_et -0.1831047E+00 Pxc 0.6820039E+01 Qxc -0.3980594E+01 3,-1 179 3 -1 0.892246 1.968984 -3.053720 Rho 0.1575899E+00 |GRAD(Rho)| 0.1071653E-15 GRAD(Rho)x -0.6861644E-16 GRAD(Rho)y -0.7887571E-16 GRAD(Rho)z 0.2355429E-16 Laplacian 0.6122008E+00 (-1/4)Del**2(Rho)) -0.1530502E+00 Diamond 0.1306523E+01 Metallicity 0.5175272E+01 Ellipticity 0.7179074E-01 Gb(Abramov) 0.2340462E+00 Vb(Abramov) -0.3150422E+00 Hb(Abramov) -0.8099601E-01 Ex_ueg -0.6286702E-01 Ec_ueg -0.8931133E-02 Delta_ex -0.6645772E-01 Delta_ec 0.1517782E-01 Delta_et -0.2029884E+00 Pxc 0.7039086E+01 Qxc -0.4378607E+01 3,-1 180 3 -1 1.799350 -2.801979 -0.550468 Rho 0.1389326E+00 |GRAD(Rho)| 0.3236635E-15 GRAD(Rho)x 0.2614960E-15 GRAD(Rho)y 0.3510105E-17 GRAD(Rho)z 0.1906976E-15 Laplacian 0.5882527E+00 (-1/4)Del**2(Rho)) -0.1470632E+00 Diamond 0.1088693E+01 Metallicity 0.4365725E+01 Ellipticity 0.8727154E-02 Gb(Abramov) 0.2050483E+00 Vb(Abramov) -0.2630335E+00 Hb(Abramov) -0.5798517E-01 Ex_ueg -0.5314439E-01 Ec_ueg -0.7738852E-02 Delta_ex -0.6201568E-01 Delta_ec 0.1523763E-01 Delta_et -0.2006512E+00 Pxc 0.6867219E+01 Qxc -0.4069902E+01 3,-1 181 3 -1 0.578555 -2.779438 -1.805828 Rho 0.1452237E+00 |GRAD(Rho)| 0.2659542E-15 GRAD(Rho)x -0.4836897E-16 GRAD(Rho)y 0.2195509E-17 GRAD(Rho)z -0.2615096E-15 Laplacian 0.6121320E+00 (-1/4)Del**2(Rho)) -0.1530330E+00 Diamond 0.1195931E+01 Metallicity 0.4516796E+01 Ellipticity 0.8416186E-02 Gb(Abramov) 0.2172251E+00 Vb(Abramov) -0.2814173E+00 Hb(Abramov) -0.6419214E-01 Ex_ueg -0.5637696E-01 Ec_ueg -0.8138465E-02 Delta_ex -0.6524594E-01 Delta_ec 0.1570677E-01 Delta_et -0.2082421E+00 Pxc 0.6927222E+01 Qxc -0.4154002E+01 3,-1 182 3 -1 0.548187 2.771292 1.847732 Rho 0.1162786E+00 |GRAD(Rho)| 0.1825973E-15 GRAD(Rho)x 0.2996464E-16 GRAD(Rho)y -0.1734283E-15 GRAD(Rho)z -0.4864680E-16 Laplacian 0.4829001E+00 (-1/4)Del**2(Rho)) -0.1207250E+00 Diamond 0.7141549E+00 Metallicity 0.3952960E+01 Ellipticity 0.7793797E-02 Gb(Abramov) 0.1600202E+00 Vb(Abramov) -0.1993154E+00 Hb(Abramov) -0.3929519E-01 Ex_ueg -0.4191650E-01 Ec_ueg -0.6321293E-02 Delta_ex -0.4867382E-01 Delta_ec 0.1286238E-01 Delta_et -0.1641528E+00 Pxc 0.6631000E+01 Qxc -0.3784201E+01 3,-1 183 3 -1 2.793202 0.559013 1.793992 Rho 0.1312655E+00 |GRAD(Rho)| 0.1200470E-15 GRAD(Rho)x 0.3902450E-16 GRAD(Rho)y 0.8721051E-16 GRAD(Rho)z -0.7268220E-16 Laplacian 0.5475521E+00 (-1/4)Del**2(Rho)) -0.1368880E+00 Diamond 0.9320211E+00 Metallicity 0.4266829E+01 Ellipticity 0.1199058E-01 Gb(Abramov) 0.1886050E+00 Vb(Abramov) -0.2403219E+00 Hb(Abramov) -0.5171695E-01 Ex_ueg -0.4927036E-01 Ec_ueg -0.7255250E-02 Delta_ex -0.5676346E-01 Delta_ec 0.1406990E-01 Delta_et -0.1830493E+00 Pxc 0.6790993E+01 Qxc -0.4034390E+01 3,-1 184 3 -1 3.016513 0.848088 -1.986862 Rho 0.1497365E+00 |GRAD(Rho)| 0.1107611E-15 GRAD(Rho)x -0.2236845E-16 GRAD(Rho)y 0.8937892E-16 GRAD(Rho)z -0.6147426E-16 Laplacian 0.5830577E+00 (-1/4)Del**2(Rho)) -0.1457644E+00 Diamond 0.1169010E+01 Metallicity 0.4990161E+01 Ellipticity 0.6750983E-01 Gb(Abramov) 0.2184076E+00 Vb(Abramov) -0.2910508E+00 Hb(Abramov) -0.7264319E-01 Ex_ueg -0.5872487E-01 Ec_ueg -0.8426651E-02 Delta_ex -0.6248736E-01 Delta_ec 0.1462057E-01 Delta_et -0.1941682E+00 Pxc 0.6968946E+01 Qxc -0.4273935E+01 3,-1 185 3 -1 -4.233790 3.837283 -0.812117 Rho 0.3275104E+00 |GRAD(Rho)| 0.1330327E-12 GRAD(Rho)x -0.3489453E-13 GRAD(Rho)y 0.9827811E-13 GRAD(Rho)z 0.8259232E-13 Laplacian -0.1821694E+01 (-1/4)Del**2(Rho)) 0.4554235E+00 Diamond 0.6401174E+01 Metallicity -0.5886351E+01 Ellipticity 0.1795085E-02 Gb(Abramov) 0.1431815E+00 Vb(Abramov) -0.7417864E+00 Hb(Abramov) -0.5986050E+00 Ex_ueg -0.1667318E+00 Ec_ueg -0.2069888E-01 Delta_ex 0.1835786E+00 Delta_ec 0.6264711E-01 Delta_et -0.1504705E+01 Pxc 0.8055113E+01 Qxc 0.2930360E+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 81 82 108 116 132 144 178 131 115 101 181 102 109 129 120 111 118 179 177 135 112 142 182 113 76 136 158 163 180 164 150 171 155 161 160 162 143 165 97 176 89 64 90 73 55 71 86 69 85 68 58 81 79 173 91 84 59 174 78 172 83 175 148 183 152 168 159 170 157 166 149 184 153 169 137 121 138 125 167 106 122 105 93 185 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 18 21 22 25 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 20 23 24 27 28 54 2.384854 1.914930 1.938947 1.947681 1.967187 1.721193 2.379672 1.901899 1.924057 1.988249 1.964039 1.721494 2.392912 1.954760 2.055108 1.880100 1.936769 1.711070 2.452503 1.918307 1.990483 1.916126 1.975708 1.708501 2.412939 1.962288 1.940804 1.937488 1.919848 1.720121 2.399967 1.940104 1.894559 2.019357 1.963367 1.711632 2.290393 1.854583 1.853818 1.980041 1.924052 1.857479 2.382588 1.952383 1.932835 1.950855 1.934586 1.721169 2.399943 2.059004 1.925842 1.945202 1.903272 1.709453 2.417164 1.915297 1.950786 1.919029 1.973937 1.720224 2.423617 1.941228 1.958459 1.951563 1.951401 1.709765 2.402354 1.905903 1.986593 1.901260 2.029820 1.710908 1.693813 1.695822 1.686870 1.706690 3.277228 3.263845 3.283793 3.227035 3.256318 0.981405 2.386623 1.915333 1.939331 1.948380 1.967859 1.721197 2.381303 1.902341 1.924369 1.988947 1.964745 1.721497 2.394814 1.955348 2.055660 1.880766 1.937556 1.711083 2.454029 1.918856 1.991038 1.916936 1.976233 1.708512 2.414827 1.962686 1.941182 1.938161 1.920506 1.720127 2.401858 1.940616 1.895084 2.020154 1.964246 1.711643 2.291704 1.855202 1.854329 1.980816 1.924936 1.859195 2.384322 1.952761 1.933257 1.951553 1.935263 1.721173 2.401694 2.059524 1.926435 1.946077 1.903976 1.709464 2.418889 1.915667 1.951152 1.919486 1.974617 1.720227 2.425201 1.941804 1.958981 1.952409 1.952245 1.709774 2.404209 1.906409 1.987173 1.902030 2.030607 1.710919 1.693818 1.695825 1.686873 1.706709 3.286809 3.276756 3.293420 3.239152 3.265600 0.981685 30 27 27 28 23 22 30 29 23 27 28 23 30 28 29 23 23 22 33 28 23 27 25 22 30 27 23 28 27 21 31 29 28 28 25 24 28 22 25 24 27 24 27 25 25 25 25 22 27 25 25 23 26 20 27 23 25 23 26 20 30 23 28 28 27 20 30 27 27 23 27 20 24 25 24 24 35 35 35 35 35 18 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 Mo Mo W Mo W W Mo W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H 2.5269 2.5175 2.3852 2.4112 2.5161 2.3892 2.6321 2.5264 2.4211 2.5242 2.4129 2.3793 -1.1334 -1.1437 -1.1332 -1.1369 -0.9468 -0.9104 -0.8950 -0.8925 -0.9190 -0.8906 -0.8976 -0.9474 -0.8930 -0.9493 -0.8864 -0.9468 -0.8998 -0.8987 -0.8703 -0.9294 -0.9019 -0.8628 -0.8957 -0.8920 -0.9386 -0.8977 -0.9360 -0.8731 -0.7234 -0.7235 -0.6419 -0.6388 -0.7198 -0.6455 -0.6791 -0.7232 -0.6392 -0.7215 -0.6421 -0.6423 2.5161 0.2999 2.0821 2.0808 1.9137 1.9257 2.0811 1.9109 2.0661 2.0820 1.9304 2.0792 1.9297 1.9272 1.9371 1.9363 1.9406 1.9352 1.9350 1.9408 1.9463 1.9450 1.9395 1.9447 1.9430 1.9353 1.9447 1.9349 1.9461 1.9355 1.9516 1.9519 1.9572 1.9514 1.9517 1.9580 1.9524 1.9541 1.9504 1.9534 1.9505 1.9559 1.9775 1.9773 1.9884 1.9900 1.9778 1.9882 1.8779 1.9774 1.9893 1.9780 1.9890 1.9887 0.8053 0.6012 6.0819 6.0833 6.0628 6.0418 6.0832 6.0601 6.0833 6.0817 6.0372 6.0820 6.0403 6.0651 5.1570 5.1675 5.1525 5.1615 4.9812 4.9411 4.9187 4.9212 4.9513 4.9194 4.9286 4.9815 4.9183 4.9841 4.9135 4.9806 4.9170 4.9161 4.8845 4.9449 4.9195 4.8750 4.9121 4.9062 4.9554 4.9137 4.9520 4.8884 4.7069 4.7072 4.6165 4.6113 4.7027 4.6203 4.7692 4.7067 4.6125 4.7044 4.6159 4.6165 1.1288 0.0990 3.2803 3.2895 3.6384 3.6213 3.2908 3.6398 3.1878 3.2811 3.6112 3.2859 3.6171 3.6284 0.0393 0.0400 0.0401 0.0402 0.0306 0.0286 0.0300 0.0263 0.0282 0.0265 0.0259 0.0306 0.0299 0.0303 0.0268 0.0307 0.0312 0.0307 0.0286 0.0332 0.0307 0.0297 0.0312 0.0317 0.0328 0.0307 0.0335 0.0288 0.0390 0.0390 0.0371 0.0375 0.0393 0.0370 0.0320 0.0390 0.0373 0.0392 0.0372 0.0370 10.5499 0.0000 14.0289 14.0288 0.0000 0.0000 14.0287 0.0000 14.0308 14.0288 0.0000 14.0288 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W W Mo Mo W Mo W W Mo W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H 2.526781 2.522292 3.180149 3.180570 2.524598 3.179591 2.567585 2.526135 3.178403 2.523835 3.183021 3.180427 -1.137007 -1.140304 -1.215477 -1.126154 -0.934250 -1.053716 -0.990810 -1.157649 -1.039426 -1.156401 -1.163918 -0.935775 -0.997762 -0.936724 -1.151883 -0.932428 -1.006988 -1.008678 -1.106240 -0.894314 -1.007713 -1.104283 -1.016694 -1.013291 -0.900054 -0.990733 -0.897192 -1.113148 -0.743808 -0.743915 -0.903745 -0.900841 -0.738959 -0.907034 -0.503121 -0.743531 -0.901636 -0.741011 -0.904944 -0.906000 2.326746 0.167426 1.955792 1.960970 2.392516 2.392011 1.964431 2.394899 1.848977 1.955247 2.383007 1.957007 2.387634 2.386205 -0.829572 -0.827635 -0.938847 -0.804129 -0.699505 -0.803206 -0.754454 -0.892475 -0.800427 -0.899808 -0.899204 -0.701529 -0.759890 -0.698269 -0.897883 -0.695617 -0.804565 -0.811733 -0.892183 -0.699175 -0.809821 -0.886532 -0.813331 -0.809855 -0.730816 -0.767973 -0.727172 -0.886483 -0.619514 -0.614673 -0.640796 -0.643392 -0.609598 -0.644790 -0.628380 -0.619539 -0.646760 -0.613492 -0.652465 -0.645769 1.689194 0.453370 2.049614 2.052257 2.465300 2.463397 2.056933 2.471068 2.072271 2.049919 2.456318 2.045633 2.467531 2.458388 -0.860656 -0.854197 -0.934193 -0.839961 -0.777372 -0.881532 -0.851793 -0.971990 -0.875279 -0.980596 -0.983025 -0.778063 -0.855653 -0.778686 -0.971438 -0.778031 -0.836417 -0.849024 -0.933114 -0.751252 -0.845863 -0.918922 -0.847976 -0.837315 -0.771023 -0.815167 -0.763967 -0.928185 -0.584825 -0.580439 -0.599214 -0.605556 -0.574586 -0.599489 -0.626802 -0.584685 -0.609916 -0.579133 -0.613951 -0.602750 1.671204 0.452199 -5.88754954 9.26307499 -2.75993971 11.31746726 14.93676430 -29.91436516 15.98751813 -0.15444569 -7.43157826 -14.78231861 -384.6815 411.6629 -113.9301 -356.6325 -5.0705 -448.6518 Jun11-2024 03:41:02 Nodes: 1 Procs: 1 Jun11-2024 03:41:05 Nodes: 1 Procs: 1 0 Jun11-2024 03:41:09 Nodes: 1 Procs: 1 Jun11-2024 03:41:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 03:41:14 Nodes: 1 Procs: 1 Jun11-2024 03:41:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 03:41:19 Nodes: 1 Procs: 1 Jun11-2024 03:41:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun11-2024 03:41:23 Nodes: 1 Procs: 1 Jun11-2024 03:41:26 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun11-2024 03:41:32 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 -15.89157155 -16.32815168 -16.37349548 -16.46496003 -16.48158109 -16.48437366 -16.48568918 -16.48680319 -16.48689018 -16.48694434 -16.48709264 -16.48712942 -16.48721682 -16.48726537 -16.48729629 -16.48733510 -16.48737234 -16.48740466 -16.48748341 -16.48749961 -16.48751464 -16.48751965 -16.48753045 -16.48753825 -16.48754715 -16.48757126 -16.48759397 -16.48760869 -16.48763207 -16.48763891 -16.48764974 GEOMETRY CONVERGED