ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 11:01:59 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.06 1.43 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 Jun12-2024 11:01:59 Nodes: 1 Procs: 1 Jun12-2024 11:02:01 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 11:02:04 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.50 0.05 2.00 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 Jun12-2024 11:01:59 Nodes: 1 Procs: 1 Jun12-2024 11:02:01 Nodes: 1 Procs: 1 0 Jun12-2024 11:02:04 Nodes: 1 Procs: 1 Jun12-2024 11:02:05 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 11:02:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.59 0.06 2.70 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 Jun12-2024 11:01:59 Nodes: 1 Procs: 1 Jun12-2024 11:02:01 Nodes: 1 Procs: 1 0 Jun12-2024 11:02:04 Nodes: 1 Procs: 1 Jun12-2024 11:02:05 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 11:02:08 Nodes: 1 Procs: 1 Jun12-2024 11:02:10 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 11:02:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.98 0.06 1.55 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 Jun12-2024 11:01:59 Nodes: 1 Procs: 1 Jun12-2024 11:02:01 Nodes: 1 Procs: 1 0 Jun12-2024 11:02:04 Nodes: 1 Procs: 1 Jun12-2024 11:02:05 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 11:02:08 Nodes: 1 Procs: 1 Jun12-2024 11:02:10 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 11:02:14 Nodes: 1 Procs: 1 Jun12-2024 11:02:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 11:02:18 Hydrogen (TZP) c2-17 c2-17 c2-17 c2-17 c2-17 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.66 0.08 4.26 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 Jun12-2024 11:01:59 Nodes: 1 Procs: 1 Jun12-2024 11:02:01 Nodes: 1 Procs: 1 0 Jun12-2024 11:02:04 Nodes: 1 Procs: 1 Jun12-2024 11:02:05 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 11:02:08 Nodes: 1 Procs: 1 Jun12-2024 11:02:10 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 11:02:14 Nodes: 1 Procs: 1 Jun12-2024 11:02:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 11:02:18 Nodes: 1 Procs: 1 Jun12-2024 11:02:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 11:02:27 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2217.7775999999985 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232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 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 -7.765 -7.734 -7.626 -7.576 -7.538 -7.518 -7.510 -7.495 -7.247 -7.224 -5.108 -4.975 -4.679 -4.632 -4.600 -4.543 -4.446 -4.284 -4.062 -4.011 A A A A A A A A A A A A A A A A A A A A 0.00000000085131 0.00041256630974 0.00022109287228 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 42 42 42 42 42 42 42 42 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 33 1 0.062977 -2.538510 2.591446 0.197211 2.499211 -2.673791 2.544704 -2.626064 0.170055 2.521892 2.564012 -0.108783 -2.530442 2.535491 0.058560 -2.539398 -2.599732 -0.109238 2.558538 -0.113241 2.548057 2.624819 0.042230 -2.504289 -0.086272 -2.536878 -2.558392 -0.134654 2.531513 2.552654 -2.551653 -0.143603 -2.540740 -2.595406 0.111121 2.537677 0.965060 -0.978824 0.977294 -0.976010 -0.984627 -0.989488 0.980725 0.971301 -1.004935 -0.997843 0.983416 0.942953 -2.977096 -1.200077 1.174674 3.054833 -1.160836 -1.163658 -3.037467 1.105281 -1.092908 2.989846 1.177283 1.122636 1.147527 -1.122247 -3.009049 1.148502 1.157467 2.982123 -1.187221 1.151621 -2.950045 -1.168275 -1.164782 3.024450 -1.233776 2.987705 -1.110349 -1.121124 -3.038652 1.160956 1.099216 3.002585 1.146923 1.185911 -2.978399 -1.169697 3.430609 -1.500149 1.486048 -3.407087 -1.551459 -1.506005 3.378703 1.570803 -1.568899 -3.416695 1.490871 1.499639 1.543772 -1.525204 3.400207 1.521146 1.526819 -3.502888 -1.519946 1.467871 3.414179 -1.523412 -1.520093 -3.419500 -1.474528 -3.424908 -1.522588 -1.574486 3.368009 1.525386 1.542954 -3.436819 1.541133 1.428350 3.421528 -1.533050 -0.221645 -3.732977 3.783002 0.238190 -3.724341 -3.762211 -0.231591 3.716934 -3.799888 0.161244 3.738555 3.743884 3.747707 -3.793672 -0.171300 3.682020 3.786980 0.190139 -3.881415 3.784979 -0.239937 -3.712350 -3.803089 0.207780 -3.771366 0.193844 -3.708005 -3.800309 -0.204032 3.724638 3.757910 0.224139 3.720869 3.791328 -0.243511 -3.725223 0.011624 -0.003366 -0.018934 -3.795751 4.452525 -0.957271 1 3 -3 0.062977 -2.538510 2.591446 Rho 0.1240647E+06 3,-3 2 3 -3 0.197211 2.499211 -2.673791 Rho 0.1240647E+06 3,-3 3 3 -3 2.544704 -2.626064 0.170055 Rho 0.1240648E+06 3,-3 4 3 -3 2.521892 2.564012 -0.108783 Rho 0.1240647E+06 3,-3 5 3 -3 -2.530442 2.535491 0.058560 Rho 0.1240648E+06 3,-3 6 3 -3 -2.539398 -2.599732 -0.109238 Rho 0.1240647E+06 3,-3 7 3 -3 2.558538 -0.113241 2.548057 Rho 0.1240647E+06 3,-3 8 3 -3 2.624819 0.042230 -2.504289 Rho 0.1240647E+06 3,-3 9 3 -3 -0.086272 -2.536878 -2.558392 Rho 0.4361414E+07 3,-3 10 3 -3 -0.134654 2.531513 2.552654 Rho 0.4361414E+07 3,-3 11 3 -3 -2.551653 -0.143603 -2.540740 Rho 0.4361414E+07 3,-3 12 3 -3 -2.595406 0.111121 2.537677 Rho 0.4361414E+07 3,-3 13 3 -3 0.965060 -0.978824 0.977294 Rho 0.3190436E+03 3,-3 14 3 -3 -0.976010 -0.984627 -0.989488 Rho 0.3190103E+03 3,-3 15 3 -3 0.980725 0.971301 -1.004935 Rho 0.3190389E+03 3,-3 16 3 -3 -0.997843 0.983416 0.942953 Rho 0.3190252E+03 3,-3 17 3 -3 -2.977096 -1.200077 1.174674 Rho 0.3189494E+03 3,-3 18 3 -3 3.054833 -1.160836 -1.163658 Rho 0.3190687E+03 3,-3 19 3 -3 -3.037467 1.105281 -1.092908 Rho 0.3189959E+03 3,-3 20 3 -3 2.989846 1.177283 1.122636 Rho 0.3190310E+03 3,-3 21 3 -3 1.147527 -1.122247 -3.009049 Rho 0.3189477E+03 3,-3 22 3 -3 1.148502 1.157467 2.982123 Rho 0.3189531E+03 3,-3 23 3 -3 -1.187221 1.151621 -2.950045 Rho 0.3189270E+03 3,-3 24 3 -3 -1.168275 -1.164782 3.024450 Rho 0.3189774E+03 3,-3 25 3 -3 -1.233776 2.987705 -1.110349 Rho 0.3192166E+03 3,-3 26 3 -3 -1.121124 -3.038652 1.160956 Rho 0.3190270E+03 3,-3 27 3 -3 1.099216 3.002585 1.146923 Rho 0.3189561E+03 3,-3 28 3 -3 1.185911 -2.978399 -1.169697 Rho 0.3189432E+03 3,-3 29 3 -3 3.430609 -1.500149 1.486048 Rho 0.3191325E+03 3,-3 30 3 -3 -3.407087 -1.551459 -1.506005 Rho 0.3190649E+03 3,-3 31 3 -3 3.378703 1.570803 -1.568899 Rho 0.3191277E+03 3,-3 32 3 -3 -3.416695 1.490871 1.499639 Rho 0.3190879E+03 3,-3 33 3 -3 1.543772 -1.525204 3.400207 Rho 0.3191360E+03 3,-3 34 3 -3 1.521146 1.526819 -3.502888 Rho 0.3191916E+03 3,-3 35 3 -3 -1.519946 1.467871 3.414179 Rho 0.3189882E+03 3,-3 36 3 -3 -1.523412 -1.520093 -3.419500 Rho 0.3189997E+03 3,-3 37 3 -3 -1.474528 -3.424908 -1.522588 Rho 0.3190628E+03 3,-3 38 3 -3 -1.574486 3.368009 1.525386 Rho 0.3190792E+03 3,-3 39 3 -3 1.542954 -3.436819 1.541133 Rho 0.3191527E+03 3,-3 40 3 -3 1.428350 3.421528 -1.533050 Rho 0.3191300E+03 3,-3 41 3 -3 -0.221645 -3.732977 3.783002 Rho 0.3195752E+03 3,-3 42 3 -3 0.238190 -3.724341 -3.762211 Rho 0.3194241E+03 3,-3 43 3 -3 -0.231591 3.716934 -3.799888 Rho 0.3195708E+03 3,-3 44 3 -3 0.161244 3.738555 3.743884 Rho 0.3194285E+03 3,-3 45 3 -3 3.747707 -3.793672 -0.171300 Rho 0.3195767E+03 3,-3 46 3 -3 3.682020 3.786980 0.190139 Rho 0.3195716E+03 3,-3 47 3 -3 -3.881415 3.784979 -0.239937 Rho 0.3188085E+03 3,-3 48 3 -3 -3.712350 -3.803089 0.207780 Rho 0.3195756E+03 3,-3 49 3 -3 -3.771366 0.193844 -3.708005 Rho 0.3194300E+03 3,-3 50 3 -3 -3.800309 -0.204032 3.724638 Rho 0.3194339E+03 3,-3 51 3 -3 3.757910 0.224139 3.720869 Rho 0.3195762E+03 3,-3 52 3 -3 3.791328 -0.243511 -3.725223 Rho 0.3195675E+03 3,-3 53 3 -3 0.011624 -0.003366 -0.018934 Rho 0.4276079E+05 3,-3 54 3 -3 -3.795751 4.452525 -0.957271 Rho 0.4453651E+00 3,-3 55 3 +1 1.694757 -0.564020 -0.533239 Rho 0.8292145E-02 |GRAD(Rho)| 0.1311982E-12 GRAD(Rho)x 0.9098732E-13 GRAD(Rho)y -0.9269448E-13 GRAD(Rho)z -0.1849342E-13 Laplacian 0.3169266E-01 (-1/4)Del**2(Rho)) -0.7923166E-02 Diamond 0.8329569E-03 Metallicity 0.7386396E+00 Ellipticity -0.1491444E+01 Gb(Abramov) 0.6257505E-02 Vb(Abramov) -0.4591843E-02 Hb(Abramov) 0.1665661E-02 Ex_ueg -0.1239579E-02 Ec_ueg -0.2912270E-03 Delta_ex -0.1446826E-02 Delta_ec 0.4678554E-03 Delta_et -0.3149925E-02 Pxc 0.4256402E+01 Qxc -0.3092465E+01 3,+1 56 3 +1 -1.782631 1.727344 -1.707337 Rho 0.1226134E-01 |GRAD(Rho)| 0.7261487E-12 GRAD(Rho)x 0.2792546E-12 GRAD(Rho)y -0.2761898E-12 GRAD(Rho)z -0.6107602E-12 Laplacian 0.6138649E-01 (-1/4)Del**2(Rho)) -0.1534662E-01 Diamond 0.2561647E-02 Metallicity 0.7318750E+00 Ellipticity -0.1280965E+01 Gb(Abramov) 0.1210305E-01 Vb(Abramov) -0.8859477E-02 Hb(Abramov) 0.3243572E-02 Ex_ueg -0.2088185E-02 Ec_ueg -0.4716467E-03 Delta_ex -0.3042520E-02 Delta_ec 0.8108867E-03 Delta_et -0.6101687E-02 Pxc 0.4427434E+01 Qxc -0.3752090E+01 3,+1 57 3 +1 -2.910763 0.111206 0.189968 Rho 0.5572152E-02 |GRAD(Rho)| 0.8138825E-17 GRAD(Rho)x -0.7062482E-17 GRAD(Rho)y 0.3417447E-17 GRAD(Rho)z 0.2163994E-17 Laplacian 0.2322056E-01 (-1/4)Del**2(Rho)) -0.5805140E-02 Diamond 0.6245155E-03 Metallicity 0.5197312E+00 Ellipticity -0.3390856E+01 Gb(Abramov) 0.4372946E-02 Vb(Abramov) -0.2940751E-02 Hb(Abramov) 0.1432195E-02 Ex_ueg -0.7295959E-03 Ec_ueg -0.1716173E-03 Delta_ex -0.1177547E-02 Delta_ec 0.7284406E-03 Delta_et -0.4087829E-02 Pxc 0.4251295E+01 Qxc -0.1616531E+01 3,+1 58 3 +1 -1.679264 0.492329 -0.538998 Rho 0.9035702E-02 |GRAD(Rho)| 0.2099799E-16 GRAD(Rho)x -0.1881717E-16 GRAD(Rho)y 0.7613774E-17 GRAD(Rho)z -0.5372139E-17 Laplacian 0.3602438E-01 (-1/4)Del**2(Rho)) -0.9006095E-02 Diamond 0.1013177E-02 Metallicity 0.7498133E+00 Ellipticity -0.1421853E+01 Gb(Abramov) 0.7129545E-02 Vb(Abramov) -0.5252995E-02 Hb(Abramov) 0.1876550E-02 Ex_ueg -0.1389956E-02 Ec_ueg -0.3245165E-03 Delta_ex -0.1658874E-02 Delta_ec 0.4933066E-03 Delta_et -0.3425665E-02 Pxc 0.4283158E+01 Qxc -0.3362765E+01 3,+1 59 3 +1 -0.539724 -1.688619 0.511556 Rho 0.8505200E-02 |GRAD(Rho)| 0.2609722E-15 GRAD(Rho)x 0.1158566E-15 GRAD(Rho)y 0.1918598E-15 GRAD(Rho)z -0.1336919E-15 Laplacian 0.3308048E-01 (-1/4)Del**2(Rho)) -0.8270119E-02 Diamond 0.8836441E-03 Metallicity 0.7382140E+00 Ellipticity -0.1459665E+01 Gb(Abramov) 0.6530932E-02 Vb(Abramov) -0.4791746E-02 Hb(Abramov) 0.1739187E-02 Ex_ueg -0.1282225E-02 Ec_ueg -0.3007405E-03 Delta_ex -0.1512336E-02 Delta_ec 0.4749997E-03 Delta_et -0.3229612E-02 Pxc 0.4263561E+01 Qxc -0.3183866E+01 3,+1 60 3 -1 -3.167337 -3.243993 0.059732 Rho 0.2443700E+00 |GRAD(Rho)| 0.2923116E-14 GRAD(Rho)x -0.2664427E-15 GRAD(Rho)y -0.2318078E-14 GRAD(Rho)z 0.1760717E-14 Laplacian 0.8686050E+00 (-1/4)Del**2(Rho)) -0.2171512E+00 Diamond 0.3156848E+01 Metallicity 0.7577698E+01 Ellipticity 0.5992341E-03 Gb(Abramov) 0.4190186E+00 Vb(Abramov) -0.6208859E+00 Hb(Abramov) -0.2018673E+00 Ex_ueg -0.1128363E+00 Ec_ueg -0.1474172E-01 Delta_ex -0.1055317E+00 Delta_ec 0.1924667E-01 Delta_et -0.2674807E+00 Pxc 0.7654216E+01 Qxc -0.5483116E+01 3,-1 61 3 +3 -1.094137 -1.123721 1.111094 Rho 0.5021276E-02 |GRAD(Rho)| 0.1051540E-13 GRAD(Rho)x 0.1011050E-13 GRAD(Rho)y -0.1998847E-14 GRAD(Rho)z -0.2087119E-14 Laplacian 0.1946919E-01 (-1/4)Del**2(Rho)) -0.4867296E-02 Diamond 0.1393248E-03 Metallicity 0.5211413E+00 Ellipticity -0.1495820E+00 Gb(Abramov) 0.3667622E-02 Vb(Abramov) -0.2467948E-02 Hb(Abramov) 0.1199674E-02 Ex_ueg -0.6350440E-03 Ec_ueg -0.1478285E-03 Delta_ex -0.6758150E-03 Delta_ec 0.9000326E-04 Delta_et -0.7007940E-03 Pxc 0.4295816E+01 Qxc -0.7508783E+01 3,+3 62 3 -1 -1.738324 1.728628 0.493395 Rho 0.4905341E-01 |GRAD(Rho)| 0.1755600E-12 GRAD(Rho)x -0.5877707E-13 GRAD(Rho)y -0.1022045E-12 GRAD(Rho)z 0.1300801E-12 Laplacian 0.2002473E+00 (-1/4)Del**2(Rho)) -0.5006183E-01 Diamond 0.9780339E-01 Metallicity 0.2262014E+01 Ellipticity 0.1126770E-01 Gb(Abramov) 0.5224797E-01 Vb(Abramov) -0.5443412E-01 Hb(Abramov) -0.2186146E-02 Ex_ueg -0.1326205E-01 Ec_ueg -0.2362617E-02 Delta_ex -0.1635497E-01 Delta_ec 0.5880296E-02 Delta_et -0.6167403E-01 Pxc 0.5613288E+01 Qxc -0.2781318E+01 3,-1 63 3 +3 -1.105669 1.128820 -1.099346 Rho 0.5230446E-02 |GRAD(Rho)| 0.2070038E-14 GRAD(Rho)x 0.1170777E-14 GRAD(Rho)y -0.9957723E-15 GRAD(Rho)z 0.1386642E-14 Laplacian 0.2077060E-01 (-1/4)Del**2(Rho)) -0.5192651E-02 Diamond 0.1596431E-03 Metallicity 0.5228718E+00 Ellipticity -0.3609193E+00 Gb(Abramov) 0.3914283E-02 Vb(Abramov) -0.2635914E-02 Hb(Abramov) 0.1278369E-02 Ex_ueg -0.6705585E-03 Ec_ueg -0.1568433E-03 Delta_ex -0.7313401E-03 Delta_ec 0.9985741E-04 Delta_et -0.7725842E-03 Pxc 0.4275341E+01 Qxc -0.7323843E+01 3,+3 64 3 +1 -0.510000 1.676221 -0.600933 Rho 0.8352117E-02 |GRAD(Rho)| 0.3144833E-13 GRAD(Rho)x -0.3039961E-13 GRAD(Rho)y 0.7190202E-14 GRAD(Rho)z -0.3627967E-14 Laplacian 0.3340963E-01 (-1/4)Del**2(Rho)) -0.8352407E-02 Diamond 0.9200167E-03 Metallicity 0.7091463E+00 Ellipticity -0.1482582E+01 Gb(Abramov) 0.6555451E-02 Vb(Abramov) -0.4758495E-02 Hb(Abramov) 0.1796956E-02 Ex_ueg -0.1251547E-02 Ec_ueg -0.2939028E-03 Delta_ex -0.1543552E-02 Delta_ec 0.5210371E-03 Delta_et -0.3492834E-02 Pxc 0.4258370E+01 Qxc -0.2962461E+01 3,+1 65 3 -1 -3.224335 3.208195 -0.123111 Rho 0.1630552E+00 |GRAD(Rho)| 0.1752844E-14 GRAD(Rho)x -0.6351527E-15 GRAD(Rho)y 0.1315191E-14 GRAD(Rho)z -0.9691819E-15 Laplacian 0.6185012E+00 (-1/4)Del**2(Rho)) -0.1546253E+00 Diamond 0.1399178E+01 Metallicity 0.5422054E+01 Ellipticity 0.1272963E+00 Gb(Abramov) 0.2428146E+00 Vb(Abramov) -0.3310040E+00 Hb(Abramov) -0.8818934E-01 Ex_ueg -0.6579072E-01 Ec_ueg -0.9284408E-02 Delta_ex -0.6792716E-01 Delta_ec 0.1558399E-01 Delta_et -0.2103120E+00 Pxc 0.7086152E+01 Qxc -0.4358780E+01 3,-1 66 3 -1 -2.976125 -2.033075 -0.846158 Rho 0.1323068E+00 |GRAD(Rho)| 0.1327303E-15 GRAD(Rho)x 0.7331240E-16 GRAD(Rho)y -0.2713216E-16 GRAD(Rho)z -0.1072683E-15 Laplacian 0.5182386E+00 (-1/4)Del**2(Rho)) -0.1295597E+00 Diamond 0.8963374E+00 Metallicity 0.4567939E+01 Ellipticity 0.4732199E-01 Gb(Abramov) 0.1850099E+00 Vb(Abramov) -0.2404601E+00 Hb(Abramov) -0.5545022E-01 Ex_ueg -0.4979219E-01 Ec_ueg -0.7320707E-02 Delta_ex -0.5389595E-01 Delta_ec 0.1341313E-01 Delta_et -0.1749579E+00 Pxc 0.6801555E+01 Qxc -0.4018149E+01 3,-1 67 3 +1 -2.158057 -1.408737 -1.072807 Rho 0.2825876E-01 |GRAD(Rho)| 0.4714913E-13 GRAD(Rho)x -0.2126789E-13 GRAD(Rho)y -0.3567248E-13 GRAD(Rho)z 0.2232022E-13 Laplacian 0.1141846E+00 (-1/4)Del**2(Rho)) -0.2854616E-01 Diamond 0.1736165E-01 Metallicity 0.1582198E+01 Ellipticity -0.3505606E+01 Gb(Abramov) 0.2655838E-01 Vb(Abramov) -0.2457061E-01 Hb(Abramov) 0.1987776E-02 Ex_ueg -0.6357054E-02 Ec_ueg -0.1254147E-02 Delta_ex -0.7309554E-02 Delta_ec 0.1885291E-02 Delta_et -0.1715014E-01 Pxc 0.5068827E+01 Qxc -0.3877148E+01 3,+1 68 3 -1 -3.018882 0.846420 1.976381 Rho 0.1542997E+00 |GRAD(Rho)| 0.1054659E-13 GRAD(Rho)x 0.3479205E-15 GRAD(Rho)y -0.6983238E-14 GRAD(Rho)z 0.7895811E-14 Laplacian 0.6106196E+00 (-1/4)Del**2(Rho)) -0.1526549E+00 Diamond 0.1285793E+01 Metallicity 0.5009382E+01 Ellipticity 0.6527888E-01 Gb(Abramov) 0.2292211E+00 Vb(Abramov) -0.3057872E+00 Hb(Abramov) -0.7656616E-01 Ex_ueg -0.6112306E-01 Ec_ueg -0.8719322E-02 Delta_ex -0.6608698E-01 Delta_ec 0.1548074E-01 Delta_et -0.2071092E+00 Pxc 0.7010071E+01 Qxc -0.4268979E+01 3,-1 69 3 -1 -2.914092 -0.002657 0.078054 Rho 0.5586851E-02 |GRAD(Rho)| 0.3356950E-15 GRAD(Rho)x 0.6265212E-16 GRAD(Rho)y 0.1915078E-15 GRAD(Rho)z 0.2684969E-15 Laplacian 0.2267004E-01 (-1/4)Del**2(Rho)) -0.5667510E-02 Diamond 0.7123228E-03 Metallicity 0.5346949E+00 Ellipticity 0.2836042E+01 Gb(Abramov) 0.4283405E-02 Vb(Abramov) -0.2899300E-02 Hb(Abramov) 0.1384105E-02 Ex_ueg -0.7321632E-03 Ec_ueg -0.1722542E-03 Delta_ex -0.1230668E-02 Delta_ec 0.8547961E-03 Delta_et -0.4743210E-02 Pxc 0.4250481E+01 Qxc -0.1439721E+01 3,-1 70 3 +1 -2.186129 1.205234 1.217070 Rho 0.2920870E-01 |GRAD(Rho)| 0.1027472E-15 GRAD(Rho)x -0.9573927E-16 GRAD(Rho)y 0.1524803E-16 GRAD(Rho)z 0.3403634E-16 Laplacian 0.1218723E+00 (-1/4)Del**2(Rho)) -0.3046807E-01 Diamond 0.2216639E-01 Metallicity 0.1566374E+01 Ellipticity -0.1335839E+02 Gb(Abramov) 0.2826611E-01 Vb(Abramov) -0.2606415E-01 Hb(Abramov) 0.2201959E-02 Ex_ueg -0.6643569E-02 Ec_ueg -0.1302864E-02 Delta_ex -0.8116377E-02 Delta_ec 0.2448941E-02 Delta_et -0.2240179E-01 Pxc 0.5099204E+01 Qxc -0.3314239E+01 3,+1 71 3 -1 -2.972731 1.968123 0.818207 Rho 0.1209434E+00 |GRAD(Rho)| 0.1850212E-15 GRAD(Rho)x 0.1080814E-17 GRAD(Rho)y -0.1030670E-15 GRAD(Rho)z -0.1536518E-15 Laplacian 0.4725432E+00 (-1/4)Del**2(Rho)) -0.1181358E+00 Diamond 0.7291664E+00 Metallicity 0.4313287E+01 Ellipticity 0.1243519E-01 Gb(Abramov) 0.1636828E+00 Vb(Abramov) -0.2092298E+00 Hb(Abramov) -0.4554700E-01 Ex_ueg -0.4417343E-01 Ec_ueg -0.6610338E-02 Delta_ex -0.4803258E-01 Delta_ec 0.1238771E-01 Delta_et -0.1590367E+00 Pxc 0.6682476E+01 Qxc -0.3877440E+01 3,-1 72 3 -1 -2.752829 -1.857069 0.566896 Rho 0.1283112E+00 |GRAD(Rho)| 0.2917818E-15 GRAD(Rho)x -0.9347517E-16 GRAD(Rho)y 0.2413841E-15 GRAD(Rho)z 0.1346579E-15 Laplacian 0.5419762E+00 (-1/4)Del**2(Rho)) -0.1354941E+00 Diamond 0.8995999E+00 Metallicity 0.4150245E+01 Ellipticity 0.8101272E-02 Gb(Abramov) 0.1840516E+00 Vb(Abramov) -0.2326092E+00 Hb(Abramov) -0.4855756E-01 Ex_ueg -0.4779741E-01 Ec_ueg -0.7069937E-02 Delta_ex -0.5590074E-01 Delta_ec 0.1404616E-01 Delta_et -0.1821630E+00 Pxc 0.6760655E+01 Qxc -0.3979789E+01 3,-1 73 3 +1 -2.908309 -0.257631 -0.177143 Rho 0.5456965E-02 |GRAD(Rho)| 0.8682195E-17 GRAD(Rho)x 0.5265026E-18 GRAD(Rho)y 0.7349620E-17 GRAD(Rho)z -0.4591992E-17 Laplacian 0.2298490E-01 (-1/4)Del**2(Rho)) -0.5746226E-02 Diamond 0.5399504E-03 Metallicity 0.5070947E+00 Ellipticity -0.1989440E+01 Gb(Abramov) 0.4316464E-02 Vb(Abramov) -0.2886702E-02 Hb(Abramov) 0.1429762E-02 Ex_ueg -0.7095559E-03 Ec_ueg -0.1666306E-03 Delta_ex -0.1110343E-02 Delta_ec 0.6309033E-03 Delta_et -0.3554581E-02 Pxc 0.4258258E+01 Qxc -0.1759926E+01 3,+1 74 3 -1 -2.988371 -0.890660 -1.977367 Rho 0.1423087E+00 |GRAD(Rho)| 0.4732220E-15 GRAD(Rho)x 0.3023569E-16 GRAD(Rho)y -0.4507571E-15 GRAD(Rho)z 0.1408650E-15 Laplacian 0.5590178E+00 (-1/4)Del**2(Rho)) -0.1397544E+00 Diamond 0.1069401E+01 Metallicity 0.4781600E+01 Ellipticity 0.3544480E-01 Gb(Abramov) 0.2045446E+00 Vb(Abramov) -0.2693348E+00 Hb(Abramov) -0.6479017E-01 Ex_ueg -0.5487320E-01 Ec_ueg -0.7952992E-02 Delta_ex -0.5932784E-01 Delta_ec 0.1448251E-01 Delta_et -0.1915820E+00 Pxc 0.6899693E+01 Qxc -0.4096517E+01 3,-1 75 3 -1 -2.781805 -0.586904 1.808305 Rho 0.1433683E+00 |GRAD(Rho)| 0.3934339E-14 GRAD(Rho)x 0.4967543E-15 GRAD(Rho)y 0.2708920E-14 GRAD(Rho)z 0.2809629E-14 Laplacian 0.6035369E+00 (-1/4)Del**2(Rho)) -0.1508842E+00 Diamond 0.1157077E+01 Metallicity 0.4483990E+01 Ellipticity 0.1307089E-01 Gb(Abramov) 0.2133500E+00 Vb(Abramov) -0.2758158E+00 Hb(Abramov) -0.6246581E-01 Ex_ueg -0.5541865E-01 Ec_ueg -0.8020351E-02 Delta_ex -0.6408577E-01 Delta_ec 0.1545979E-01 Delta_et -0.2044199E+00 Pxc 0.6909754E+01 Qxc -0.4145320E+01 3,-1 76 3 +1 -1.278841 1.174248 2.151720 Rho 0.2834152E-01 |GRAD(Rho)| 0.3886711E-16 GRAD(Rho)x -0.1125606E-16 GRAD(Rho)y 0.1236261E-16 GRAD(Rho)z 0.3508731E-16 Laplacian 0.1146454E+00 (-1/4)Del**2(Rho)) -0.2866134E-01 Diamond 0.1915766E-01 Metallicity 0.1583539E+01 Ellipticity -0.7355499E+01 Gb(Abramov) 0.2667195E-01 Vb(Abramov) -0.2468256E-01 Hb(Abramov) 0.1989390E-02 Ex_ueg -0.6381890E-02 Ec_ueg -0.1258383E-02 Delta_ex -0.7496954E-02 Delta_ec 0.2164469E-02 Delta_et -0.1966517E-01 Pxc 0.5071502E+01 Qxc -0.3463647E+01 3,+1 77 3 +1 1.779568 -1.722959 -1.749346 Rho 0.1200057E-01 |GRAD(Rho)| 0.2206801E-16 GRAD(Rho)x -0.2058637E-17 GRAD(Rho)y -0.1688529E-16 GRAD(Rho)z 0.1405867E-16 Laplacian 0.6003310E-01 (-1/4)Del**2(Rho)) -0.1500827E-01 Diamond 0.2413219E-02 Metallicity 0.7220357E+00 Ellipticity -0.1261446E+01 Gb(Abramov) 0.1181160E-01 Vb(Abramov) -0.8614929E-02 Hb(Abramov) 0.3196673E-02 Ex_ueg -0.2029181E-02 Ec_ueg -0.4595952E-03 Delta_ex -0.2953103E-02 Delta_ec 0.7831121E-03 Delta_et -0.5869120E-02 Pxc 0.4415148E+01 Qxc -0.3770984E+01 3,+1 78 3 +3 -2.314740 -0.059014 0.003434 Rho 0.4755031E-02 |GRAD(Rho)| 0.1167716E-13 GRAD(Rho)x 0.8463633E-14 GRAD(Rho)y -0.5179689E-14 GRAD(Rho)z -0.6155797E-14 Laplacian 0.1969296E-01 (-1/4)Del**2(Rho)) -0.4923241E-02 Diamond 0.1815305E-03 Metallicity 0.4704978E+00 Ellipticity -0.3294995E+00 Gb(Abramov) 0.3668223E-02 Vb(Abramov) -0.2413205E-02 Hb(Abramov) 0.1255018E-02 Ex_ueg -0.5905493E-03 Ec_ueg -0.1363861E-03 Delta_ex -0.7237418E-03 Delta_ec 0.1809669E-03 Delta_et -0.1146555E-02 Pxc 0.4329983E+01 Qxc -0.3999304E+01 3,+3 79 3 -1 0.844304 -1.992483 2.995851 Rho 0.1268753E+00 |GRAD(Rho)| 0.1432603E-15 GRAD(Rho)x -0.4038653E-17 GRAD(Rho)y -0.1337838E-15 GRAD(Rho)z -0.5107947E-16 Laplacian 0.4943413E+00 (-1/4)Del**2(Rho)) -0.1235853E+00 Diamond 0.8151471E+00 Metallicity 0.4465615E+01 Ellipticity 0.4276558E-01 Gb(Abramov) 0.1743710E+00 Vb(Abramov) -0.2251566E+00 Hb(Abramov) -0.5078565E-01 Ex_ueg -0.4708557E-01 Ec_ueg -0.6980079E-02 Delta_ex -0.5091944E-01 Delta_ec 0.1297150E-01 Delta_et -0.1681489E+00 Pxc 0.6745706E+01 Qxc -0.3925486E+01 3,-1 80 3 +1 0.515914 0.548149 1.642947 Rho 0.8827486E-02 |GRAD(Rho)| 0.1796109E-13 GRAD(Rho)x -0.1319574E-14 GRAD(Rho)y -0.1400327E-13 GRAD(Rho)z -0.1116995E-13 Laplacian 0.3399258E-01 (-1/4)Del**2(Rho)) -0.8498145E-02 Diamond 0.9466832E-03 Metallicity 0.7643473E+00 Ellipticity -0.1476702E+01 Gb(Abramov) 0.6748019E-02 Vb(Abramov) -0.4997893E-02 Hb(Abramov) 0.1750126E-02 Ex_ueg -0.1347414E-02 Ec_ueg -0.3151699E-03 Delta_ex -0.1564982E-02 Delta_ec 0.4814704E-03 Delta_et -0.3310446E-02 Pxc 0.4275199E+01 Qxc -0.3250422E+01 3,+1 81 3 +1 -0.163270 -0.138832 -2.859843 Rho 0.5465449E-02 |GRAD(Rho)| 0.3962327E-17 GRAD(Rho)x 0.3836177E-17 GRAD(Rho)y 0.2639179E-19 GRAD(Rho)z 0.9915064E-18 Laplacian 0.2235042E-01 (-1/4)Del**2(Rho)) -0.5587606E-02 Diamond 0.5784542E-03 Metallicity 0.5228421E+00 Ellipticity -0.3680770E+01 Gb(Abramov) 0.4211976E-02 Vb(Abramov) -0.2836347E-02 Hb(Abramov) 0.1375629E-02 Ex_ueg -0.7110272E-03 Ec_ueg -0.1669976E-03 Delta_ex -0.1123173E-02 Delta_ec 0.6905050E-03 Delta_et -0.3856834E-02 Pxc 0.4257708E+01 Qxc -0.1626597E+01 3,+1 82 3 -1 -2.790609 0.521118 -1.769376 Rho 0.1290225E+00 |GRAD(Rho)| 0.1904818E-15 GRAD(Rho)x -0.6446260E-16 GRAD(Rho)y 0.1680920E-15 GRAD(Rho)z 0.6223320E-16 Laplacian 0.5344703E+00 (-1/4)Del**2(Rho)) -0.1336176E+00 Diamond 0.9094741E+00 Metallicity 0.4247488E+01 Ellipticity 0.1602599E-01 Gb(Abramov) 0.1836682E+00 Vb(Abramov) -0.2337188E+00 Hb(Abramov) -0.5005064E-01 Ex_ueg -0.4815105E-01 Ec_ueg -0.7114504E-02 Delta_ex -0.5540019E-01 Delta_ec 0.1419025E-01 Delta_et -0.1848637E+00 Pxc 0.6768011E+01 Qxc -0.3904103E+01 3,-1 83 3 +1 1.728661 1.745650 1.718191 Rho 0.1208499E-01 |GRAD(Rho)| 0.2937360E-13 GRAD(Rho)x 0.1966103E-13 GRAD(Rho)y -0.2137574E-13 GRAD(Rho)z 0.4396576E-14 Laplacian 0.6110371E-01 (-1/4)Del**2(Rho)) -0.1527593E-01 Diamond 0.2481434E-02 Metallicity 0.7177218E+00 Ellipticity -0.1248353E+01 Gb(Abramov) 0.1201126E-01 Vb(Abramov) -0.8746598E-02 Hb(Abramov) 0.3264665E-02 Ex_ueg -0.2048237E-02 Ec_ueg -0.4634939E-03 Delta_ex -0.3011744E-02 Delta_ec 0.7978191E-03 Delta_et -0.5989053E-02 Pxc 0.4419123E+01 Qxc -0.3774971E+01 3,+1 84 3 -1 -0.848712 -1.984118 -2.997002 Rho 0.1368288E+00 |GRAD(Rho)| 0.6974746E-14 GRAD(Rho)x 0.6701657E-14 GRAD(Rho)y 0.4727799E-15 GRAD(Rho)z 0.1873860E-14 Laplacian 0.5400210E+00 (-1/4)Del**2(Rho)) -0.1350052E+00 Diamond 0.9851120E+00 Metallicity 0.4636231E+01 Ellipticity 0.3138718E-01 Gb(Abramov) 0.1943227E+00 Vb(Abramov) -0.2536402E+00 Hb(Abramov) -0.5931750E-01 Ex_ueg -0.5207410E-01 Ec_ueg -0.7605775E-02 Delta_ex -0.5676346E-01 Delta_ec 0.1411723E-01 Delta_et -0.1856176E+00 Pxc 0.6846652E+01 Qxc -0.4020863E+01 3,-1 85 3 +3 0.020034 2.338806 -0.093579 Rho 0.4537979E-02 |GRAD(Rho)| 0.6515116E-15 GRAD(Rho)x -0.2737725E-15 GRAD(Rho)y -0.5334753E-15 GRAD(Rho)z 0.2547941E-15 Laplacian 0.1890299E-01 (-1/4)Del**2(Rho)) -0.4725748E-02 Diamond 0.1755538E-03 Metallicity 0.4534403E+00 Ellipticity -0.5249933E+00 Gb(Abramov) 0.3507639E-02 Vb(Abramov) -0.2289531E-02 Hb(Abramov) 0.1218109E-02 Ex_ueg -0.5548834E-03 Ec_ueg -0.1270847E-03 Delta_ex -0.6991471E-03 Delta_ec 0.1963766E-03 Delta_et -0.1198651E-02 Pxc 0.4366250E+01 Qxc -0.3560237E+01 3,+3 86 3 +1 -1.175869 2.156568 1.299084 Rho 0.2991232E-01 |GRAD(Rho)| 0.1174209E-15 GRAD(Rho)x -0.3235218E-16 GRAD(Rho)y 0.1078779E-15 GRAD(Rho)z 0.3321697E-16 Laplacian 0.1233534E+00 (-1/4)Del**2(Rho)) -0.3083836E-01 Diamond 0.2208206E-01 Metallicity 0.1610196E+01 Ellipticity -0.7099834E+01 Gb(Abramov) 0.2883487E-01 Vb(Abramov) -0.2683139E-01 Hb(Abramov) 0.2003485E-02 Ex_ueg -0.6857807E-02 Ec_ueg -0.1339086E-02 Delta_ex -0.8172584E-02 Delta_ec 0.2310887E-02 Delta_et -0.2127923E-01 Pxc 0.5121261E+01 Qxc -0.3536558E+01 3,+1 87 3 -1 -2.010106 0.831283 2.985947 Rho 0.1436041E+00 |GRAD(Rho)| 0.7616230E-16 GRAD(Rho)x 0.2490954E-16 GRAD(Rho)y -0.6968709E-16 GRAD(Rho)z 0.1799776E-16 Laplacian 0.5661878E+00 (-1/4)Del**2(Rho)) -0.1415470E+00 Diamond 0.1092733E+01 Metallicity 0.4792890E+01 Ellipticity 0.3183874E-01 Gb(Abramov) 0.2074345E+00 Vb(Abramov) -0.2733220E+00 Hb(Abramov) -0.6588750E-01 Ex_ueg -0.5554022E-01 Ec_ueg -0.8035350E-02 Delta_ex -0.6019807E-01 Delta_ec 0.1459365E-01 Delta_et -0.1932226E+00 Pxc 0.6911984E+01 Qxc -0.4124948E+01 3,-1 88 3 +1 0.205505 -2.887166 0.176744 Rho 0.5129879E-02 |GRAD(Rho)| 0.3488182E-17 GRAD(Rho)x -0.2025734E-17 GRAD(Rho)y -0.1316785E-17 GRAD(Rho)z 0.2515927E-17 Laplacian 0.2113063E-01 (-1/4)Del**2(Rho)) -0.5282658E-02 Diamond 0.4853750E-03 Metallicity 0.4975987E+00 Ellipticity -0.2499358E+01 Gb(Abramov) 0.3959879E-02 Vb(Abramov) -0.2637101E-02 Hb(Abramov) 0.1322779E-02 Ex_ueg -0.6534232E-03 Ec_ueg -0.1525063E-03 Delta_ex -0.1033670E-02 Delta_ec 0.6258504E-03 Delta_et -0.3441101E-02 Pxc 0.4284565E+01 Qxc -0.1651625E+01 3,+1 89 3 -1 -1.723847 -1.757947 -0.541248 Rho 0.4257884E-01 |GRAD(Rho)| 0.8473518E-16 GRAD(Rho)x -0.5534153E-16 GRAD(Rho)y 0.4191966E-16 GRAD(Rho)z -0.4858094E-16 Laplacian 0.1804171E+00 (-1/4)Del**2(Rho)) -0.4510427E-01 Diamond 0.7496480E-01 Metallicity 0.1983011E+01 Ellipticity 0.9841125E-02 Gb(Abramov) 0.4497656E-01 Vb(Abramov) -0.4484885E-01 Hb(Abramov) 0.1277103E-03 Ex_ueg -0.1098104E-01 Ec_ueg -0.2008965E-02 Delta_ex -0.1434272E-01 Delta_ec 0.5520379E-02 Delta_et -0.5581303E-01 Pxc 0.5466020E+01 Qxc -0.2598141E+01 3,-1 90 3 +1 -0.563448 -0.519067 1.668640 Rho 0.8287232E-02 |GRAD(Rho)| 0.1306642E-16 GRAD(Rho)x -0.9947308E-17 GRAD(Rho)y -0.1365359E-17 GRAD(Rho)z 0.8361711E-17 Laplacian 0.3203473E-01 (-1/4)Del**2(Rho)) -0.8008683E-02 Diamond 0.8237400E-03 Metallicity 0.7300308E+00 Ellipticity -0.1452608E+01 Gb(Abramov) 0.6313553E-02 Vb(Abramov) -0.4618423E-02 Hb(Abramov) 0.1695130E-02 Ex_ueg -0.1238600E-02 Ec_ueg -0.2910078E-03 Delta_ex -0.1453928E-02 Delta_ec 0.4580902E-03 Delta_et -0.3095303E-02 Pxc 0.4256243E+01 Qxc -0.3173890E+01 3,+1 91 3 +1 -1.721281 -1.783993 1.756399 Rho 0.1215624E-01 |GRAD(Rho)| 0.1561398E-13 GRAD(Rho)x 0.6864019E-14 GRAD(Rho)y 0.5193363E-14 GRAD(Rho)z 0.1302730E-13 Laplacian 0.6141564E-01 (-1/4)Del**2(Rho)) -0.1535391E-01 Diamond 0.2511634E-02 Metallicity 0.7211071E+00 Ellipticity -0.1250130E+01 Gb(Abramov) 0.1208124E-01 Vb(Abramov) -0.8808575E-02 Hb(Abramov) 0.3272668E-02 Ex_ueg -0.2064354E-02 Ec_ueg -0.4667865E-03 Delta_ex -0.3031061E-02 Delta_ec 0.8005447E-03 Delta_et -0.6019190E-02 Pxc 0.4422480E+01 Qxc -0.3786249E+01 3,+1 92 3 +1 -1.660301 -0.552783 0.521893 Rho 0.8589861E-02 |GRAD(Rho)| 0.6435210E-17 GRAD(Rho)x -0.5825410E-17 GRAD(Rho)y 0.1952214E-17 GRAD(Rho)z 0.1914521E-17 Laplacian 0.3351779E-01 (-1/4)Del**2(Rho)) -0.8379448E-02 Diamond 0.9066814E-03 Metallicity 0.7407096E+00 Ellipticity -0.1458811E+01 Gb(Abramov) 0.6620755E-02 Vb(Abramov) -0.4862062E-02 Hb(Abramov) 0.1758693E-02 Ex_ueg -0.1299271E-02 Ec_ueg -0.3045265E-03 Delta_ex -0.1535795E-02 Delta_ec 0.4806283E-03 Delta_et -0.3276781E-02 Pxc 0.4266530E+01 Qxc -0.3195390E+01 3,+1 93 3 +3 0.001122 -2.343642 -0.012510 Rho 0.4568519E-02 |GRAD(Rho)| 0.5347682E-17 GRAD(Rho)x -0.2614544E-17 GRAD(Rho)y 0.4339908E-17 GRAD(Rho)z 0.1710866E-17 Laplacian 0.1857771E-01 (-1/4)Del**2(Rho)) -0.4644428E-02 Diamond 0.1706158E-03 Metallicity 0.4665663E+00 Ellipticity -0.3129529E+00 Gb(Abramov) 0.3457441E-02 Vb(Abramov) -0.2270454E-02 Hb(Abramov) 0.1186987E-02 Ex_ueg -0.5598680E-03 Ec_ueg -0.1283919E-03 Delta_ex -0.6846152E-03 Delta_ec 0.1864658E-03 Delta_et -0.1148131E-02 Pxc 0.4360617E+01 Qxc -0.3671532E+01 3,+3 94 3 -1 -2.010699 2.950063 0.836356 Rho 0.1370652E+00 |GRAD(Rho)| 0.7124911E-12 GRAD(Rho)x 0.3606688E-12 GRAD(Rho)y 0.2885541E-12 GRAD(Rho)z 0.5424925E-12 Laplacian 0.5252401E+00 (-1/4)Del**2(Rho)) -0.1313100E+00 Diamond 0.9472584E+00 Metallicity 0.4780431E+01 Ellipticity 0.4043870E-01 Gb(Abramov) 0.1921598E+00 Vb(Abramov) -0.2530095E+00 Hb(Abramov) -0.6084974E-01 Ex_ueg -0.5219406E-01 Ec_ueg -0.7620711E-02 Delta_ex -0.5508821E-01 Delta_ec 0.1346680E-01 Delta_et -0.1765954E+00 Pxc 0.6848975E+01 Qxc -0.4090669E+01 3,-1 95 3 -1 -1.820481 0.545485 -2.742979 Rho 0.1445695E+00 |GRAD(Rho)| 0.3518500E-11 GRAD(Rho)x -0.2857731E-11 GRAD(Rho)y 0.8917044E-12 GRAD(Rho)z 0.1848806E-11 Laplacian 0.6127617E+00 (-1/4)Del**2(Rho)) -0.1531904E+00 Diamond 0.1186953E+01 Metallicity 0.4478330E+01 Ellipticity 0.8680210E-02 Gb(Abramov) 0.2164665E+00 Vb(Abramov) -0.2797426E+00 Hb(Abramov) -0.6327607E-01 Ex_ueg -0.5603861E-01 Ec_ueg -0.8096796E-02 Delta_ex -0.6520193E-01 Delta_ec 0.1567062E-01 Delta_et -0.2074742E+00 Pxc 0.6921085E+01 Qxc -0.4160776E+01 3,-1 96 3 -1 -1.759302 0.538851 1.704503 Rho 0.4441510E-01 |GRAD(Rho)| 0.1221389E-15 GRAD(Rho)x 0.5308906E-16 GRAD(Rho)y 0.5907716E-16 GRAD(Rho)z -0.9278653E-16 Laplacian 0.1789573E+00 (-1/4)Del**2(Rho)) -0.4473932E-01 Diamond 0.7594818E-01 Metallicity 0.2144939E+01 Ellipticity 0.1495383E-01 Gb(Abramov) 0.4582006E-01 Vb(Abramov) -0.4690081E-01 Hb(Abramov) -0.1080745E-02 Ex_ueg -0.1161696E-01 Ec_ueg -0.2108570E-02 Delta_ex -0.1423494E-01 Delta_ec 0.5221668E-02 Delta_et -0.5334779E-01 Pxc 0.5509404E+01 Qxc -0.2726129E+01 3,-1 97 3 +3 -0.033135 0.003828 2.319605 Rho 0.4534003E-02 |GRAD(Rho)| 0.5699045E-17 GRAD(Rho)x -0.3224346E-17 GRAD(Rho)y -0.4516791E-17 GRAD(Rho)z 0.1296653E-17 Laplacian 0.1835511E-01 (-1/4)Del**2(Rho)) -0.4588777E-02 Diamond 0.1622540E-03 Metallicity 0.4662935E+00 Ellipticity -0.2951980E+00 Gb(Abramov) 0.3415804E-02 Vb(Abramov) -0.2242831E-02 Hb(Abramov) 0.1172973E-02 Ex_ueg -0.5542353E-03 Ec_ueg -0.1269145E-03 Delta_ex -0.6702606E-03 Delta_ec 0.1755568E-03 Delta_et -0.1090054E-02 Pxc 0.4366997E+01 Qxc -0.3817913E+01 3,+3 98 3 -1 0.574670 1.702117 -1.800538 Rho 0.4437506E-01 |GRAD(Rho)| 0.6302832E-16 GRAD(Rho)x 0.3330163E-16 GRAD(Rho)y 0.4747133E-16 GRAD(Rho)z 0.2469906E-16 Laplacian 0.1885635E+00 (-1/4)Del**2(Rho)) -0.4714088E-01 Diamond 0.8333805E-01 Metallicity 0.2032608E+01 Ellipticity 0.2264907E-01 Gb(Abramov) 0.4739708E-01 Vb(Abramov) -0.4765328E-01 Hb(Abramov) -0.2561969E-03 Ex_ueg -0.1160300E-01 Ec_ueg -0.2106392E-02 Delta_ex -0.1516805E-01 Delta_ec 0.5809767E-02 Delta_et -0.5940137E-01 Pxc 0.5508472E+01 Qxc -0.2610784E+01 3,-1 99 3 -1 -1.963655 -3.013739 -0.853701 Rho 0.1315567E+00 |GRAD(Rho)| 0.4504896E-15 GRAD(Rho)x 0.1085964E-15 GRAD(Rho)y -0.3401210E-15 GRAD(Rho)z -0.2747097E-15 Laplacian 0.5142434E+00 (-1/4)Del**2(Rho)) -0.1285608E+00 Diamond 0.8840468E+00 Metallicity 0.4560012E+01 Ellipticity 0.4529318E-01 Gb(Abramov) 0.1834137E+00 Vb(Abramov) -0.2382666E+00 Hb(Abramov) -0.5485288E-01 Ex_ueg -0.4941615E-01 Ec_ueg -0.7273548E-02 Delta_ex -0.5341489E-01 Delta_ec 0.1334227E-01 Delta_et -0.1739050E+00 Pxc 0.6793954E+01 Qxc -0.4003434E+01 3,-1 100 3 +3 1.168441 -1.105865 -1.093475 Rho 0.5216053E-02 |GRAD(Rho)| 0.5198707E-17 GRAD(Rho)x 0.3128417E-17 GRAD(Rho)y -0.3997322E-17 GRAD(Rho)z 0.1122934E-17 Laplacian 0.2015052E-01 (-1/4)Del**2(Rho)) -0.5037630E-02 Diamond 0.1479246E-03 Metallicity 0.5364923E+00 Ellipticity -0.1421858E+00 Gb(Abramov) 0.3808862E-02 Vb(Abramov) -0.2580093E-02 Hb(Abramov) 0.1228768E-02 Ex_ueg -0.6680993E-03 Ec_ueg -0.1562222E-03 Delta_ex -0.7033763E-03 Delta_ec 0.8689638E-04 Delta_et -0.6982748E-03 Pxc 0.4276595E+01 Qxc -0.8094426E+01 3,+3 101 3 -1 -1.786969 -2.811971 0.560906 Rho 0.1272338E+00 |GRAD(Rho)| 0.3371504E-15 GRAD(Rho)x -0.3212898E-15 GRAD(Rho)y 0.7525041E-17 GRAD(Rho)z -0.1019150E-15 Laplacian 0.5295785E+00 (-1/4)Del**2(Rho)) -0.1323946E+00 Diamond 0.8703994E+00 Metallicity 0.4188133E+01 Ellipticity 0.9942910E-02 Gb(Abramov) 0.1806774E+00 Vb(Abramov) -0.2289603E+00 Hb(Abramov) -0.4828284E-01 Ex_ueg -0.4726306E-01 Ec_ueg -0.7002503E-02 Delta_ex -0.5451391E-01 Delta_ec 0.1375791E-01 Delta_et -0.1781917E+00 Pxc 0.6749452E+01 Qxc -0.3962369E+01 3,-1 102 3 +1 -0.126867 -2.896516 -0.154808 Rho 0.5149270E-02 |GRAD(Rho)| 0.8394873E-16 GRAD(Rho)x -0.5159622E-16 GRAD(Rho)y 0.1424377E-16 GRAD(Rho)z -0.6467098E-16 Laplacian 0.2112667E-01 (-1/4)Del**2(Rho)) -0.5281667E-02 Diamond 0.5057508E-03 Metallicity 0.5008314E+00 Ellipticity -0.2986754E+01 Gb(Abramov) 0.3961982E-02 Vb(Abramov) -0.2642297E-02 Hb(Abramov) 0.1319685E-02 Ex_ueg -0.6567185E-03 Ec_ueg -0.1533421E-03 Delta_ex -0.1050317E-02 Delta_ec 0.6544235E-03 Delta_et -0.3589964E-02 Pxc 0.4282701E+01 Qxc -0.1604951E+01 3,+1 103 3 +1 1.415549 1.055874 -2.225440 Rho 0.2476929E-01 |GRAD(Rho)| 0.2557017E-16 GRAD(Rho)x -0.1518387E-16 GRAD(Rho)y 0.2013737E-16 GRAD(Rho)z -0.4215435E-17 Laplacian 0.9605963E-01 (-1/4)Del**2(Rho)) -0.2401491E-01 Diamond 0.1156922E-01 Metallicity 0.1509830E+01 Ellipticity -0.2739886E+01 Gb(Abramov) 0.2205301E-01 Vb(Abramov) -0.2009112E-01 Hb(Abramov) 0.1961896E-02 Ex_ueg -0.5332569E-02 Ec_ueg -0.1077105E-02 Delta_ex -0.5867804E-02 Delta_ec 0.1466136E-02 Delta_et -0.1295160E-01 Pxc 0.4950833E+01 Qxc -0.4002224E+01 3,+1 104 3 +1 -1.363538 -2.177894 -1.081342 Rho 0.2827429E-01 |GRAD(Rho)| 0.2016030E-16 GRAD(Rho)x 0.1606384E-16 GRAD(Rho)y 0.1217119E-16 GRAD(Rho)z 0.5026380E-18 Laplacian 0.1142926E+00 (-1/4)Del**2(Rho)) -0.2857316E-01 Diamond 0.1757360E-01 Metallicity 0.1582150E+01 Ellipticity -0.3688706E+01 Gb(Abramov) 0.2658328E-01 Vb(Abramov) -0.2459340E-01 Hb(Abramov) 0.1989880E-02 Ex_ueg -0.6361712E-02 Ec_ueg -0.1254942E-02 Delta_ex -0.7334361E-02 Delta_ec 0.1917083E-02 Delta_et -0.1743733E-01 Pxc 0.5069330E+01 Qxc -0.3825792E+01 3,+1 105 3 -1 0.839928 -2.989416 2.026014 Rho 0.1100169E+00 |GRAD(Rho)| 0.4876337E-13 GRAD(Rho)x -0.3577332E-13 GRAD(Rho)y 0.1580932E-13 GRAD(Rho)z 0.2912390E-13 Laplacian 0.4303220E+00 (-1/4)Del**2(Rho)) -0.1075805E+00 Diamond 0.5991930E+00 Metallicity 0.4045001E+01 Ellipticity 0.2344491E-01 Gb(Abramov) 0.1442476E+00 Vb(Abramov) -0.1809146E+00 Hb(Abramov) -0.3666704E-01 Ex_ueg -0.3893418E-01 Ec_ueg -0.5935736E-02 Delta_ex -0.4286559E-01 Delta_ec 0.1171162E-01 Delta_et -0.1481310E+00 Pxc 0.6559283E+01 Qxc -0.3660089E+01 3,-1 106 3 +1 -1.178329 -1.282301 -2.181548 Rho 0.2965832E-01 |GRAD(Rho)| 0.1021482E-16 GRAD(Rho)x 0.2304424E-17 GRAD(Rho)y 0.7649537E-17 GRAD(Rho)z 0.6365275E-17 Laplacian 0.1208645E+00 (-1/4)Del**2(Rho)) -0.3021613E-01 Diamond 0.2112967E-01 Metallicity 0.1620162E+01 Ellipticity -0.6642524E+01 Gb(Abramov) 0.2830326E-01 Vb(Abramov) -0.2639039E-01 Hb(Abramov) 0.1912871E-02 Ex_ueg -0.6780271E-02 Ec_ueg -0.1325996E-02 Delta_ex -0.7967529E-02 Delta_ec 0.2224961E-02 Delta_et -0.2044860E-01 Pxc 0.5113341E+01 Qxc -0.3580974E+01 3,+1 107 3 -1 -1.833734 2.755926 -0.564020 Rho 0.1867804E+00 |GRAD(Rho)| 0.4938384E-12 GRAD(Rho)x -0.3971114E-12 GRAD(Rho)y -0.2047886E-13 GRAD(Rho)z 0.2928472E-12 Laplacian 0.7750301E+00 (-1/4)Del**2(Rho)) -0.1937575E+00 Diamond 0.1990192E+01 Metallicity 0.5426422E+01 Ellipticity 0.1790545E-01 Gb(Abramov) 0.3044067E+00 Vb(Abramov) -0.4150559E+00 Hb(Abramov) -0.1106492E+00 Ex_ueg -0.7885458E-01 Ec_ueg -0.1083827E-01 Delta_ex -0.8750998E-01 Delta_ec 0.1787376E-01 Delta_et -0.2419899E+00 Pxc 0.7275572E+01 Qxc -0.4896002E+01 3,-1 108 3 -1 -0.898473 2.960161 1.996660 Rho 0.1378565E+00 |GRAD(Rho)| 0.3612992E-15 GRAD(Rho)x -0.1309174E-15 GRAD(Rho)y 0.2169760E-15 GRAD(Rho)z -0.2575251E-15 Laplacian 0.5461297E+00 (-1/4)Del**2(Rho)) -0.1365324E+00 Diamond 0.1006146E+01 Metallicity 0.4641901E+01 Ellipticity 0.5092369E-01 Gb(Abramov) 0.1966500E+00 Vb(Abramov) -0.2567675E+00 Hb(Abramov) -0.6011752E-01 Ex_ueg -0.5259622E-01 Ec_ueg -0.7670743E-02 Delta_ex -0.5751981E-01 Delta_ec 0.1426895E-01 Delta_et -0.1878667E+00 Pxc 0.6856730E+01 Qxc -0.4031118E+01 3,-1 109 3 +1 2.165022 1.133973 -1.357704 Rho 0.2841970E-01 |GRAD(Rho)| 0.2600468E-15 GRAD(Rho)x 0.1014945E-15 GRAD(Rho)y -0.1667979E-15 GRAD(Rho)z -0.1717605E-15 Laplacian 0.1167198E+00 (-1/4)Del**2(Rho)) -0.2917994E-01 Diamond 0.2008140E-01 Metallicity 0.1562553E+01 Ellipticity -0.9977849E+01 Gb(Abramov) 0.2705250E-01 Vb(Abramov) -0.2492505E-01 Hb(Abramov) 0.2127448E-02 Ex_ueg -0.6405374E-02 Ec_ueg -0.1262386E-02 Delta_ex -0.7684230E-02 Delta_ec 0.2285857E-02 Delta_et -0.2077230E-01 Pxc 0.5074023E+01 Qxc -0.3361641E+01 3,+1 110 3 +1 -0.527871 0.534521 -1.653611 Rho 0.9320807E-02 |GRAD(Rho)| 0.3018092E-16 GRAD(Rho)x -0.2814515E-16 GRAD(Rho)y -0.1089326E-16 GRAD(Rho)z -0.2740813E-18 Laplacian 0.3648640E-01 (-1/4)Del**2(Rho)) -0.9121600E-02 Diamond 0.1102856E-02 Metallicity 0.7796590E+00 Ellipticity -0.1490857E+01 Gb(Abramov) 0.7266356E-02 Vb(Abramov) -0.5411112E-02 Hb(Abramov) 0.1855244E-02 Ex_ueg -0.1448738E-02 Ec_ueg -0.3373453E-03 Delta_ex -0.1706605E-02 Delta_ec 0.5229338E-03 Delta_et -0.3641241E-02 Pxc 0.4294525E+01 Qxc -0.3263520E+01 3,+1 111 3 +1 1.318061 2.173180 -1.131826 Rho 0.2802139E-01 |GRAD(Rho)| 0.7176883E-16 GRAD(Rho)x 0.3757660E-16 GRAD(Rho)y -0.2653568E-16 GRAD(Rho)z 0.5508740E-16 Laplacian 0.1143397E+00 (-1/4)Del**2(Rho)) -0.2858492E-01 Diamond 0.1847054E-01 Metallicity 0.1557994E+01 Ellipticity -0.5390877E+01 Gb(Abramov) 0.2647913E-01 Vb(Abramov) -0.2437335E-01 Hb(Abramov) 0.2105784E-02 Ex_ueg -0.6285957E-02 Ec_ueg -0.1242008E-02 Delta_ex -0.7422804E-02 Delta_ec 0.2102079E-02 Delta_et -0.1905184E-01 Pxc 0.5061126E+01 Qxc -0.3531172E+01 3,+1 112 3 +1 2.924051 -0.189426 0.173879 Rho 0.5102711E-02 |GRAD(Rho)| 0.7672551E-12 GRAD(Rho)x -0.2176276E-12 GRAD(Rho)y 0.5197171E-12 GRAD(Rho)z -0.5207809E-12 Laplacian 0.2103846E-01 (-1/4)Del**2(Rho)) -0.5259616E-02 Diamond 0.4552147E-03 Metallicity 0.4953750E+00 Ellipticity -0.2018564E+01 Gb(Abramov) 0.3940658E-02 Vb(Abramov) -0.2621699E-02 Hb(Abramov) 0.1318958E-02 Ex_ueg -0.6488132E-03 Ec_ueg -0.1513355E-03 Delta_ex -0.1005846E-02 Delta_ec 0.5834217E-03 Delta_et -0.3219765E-02 Pxc 0.4287249E+01 Qxc -0.1724046E+01 3,+1 113 3 -1 -0.824517 -2.990433 -1.995646 Rho 0.1418393E+00 |GRAD(Rho)| 0.3043486E-13 GRAD(Rho)x 0.2174695E-13 GRAD(Rho)y 0.1110257E-13 GRAD(Rho)z -0.1816821E-13 Laplacian 0.5578314E+00 (-1/4)Del**2(Rho)) -0.1394578E+00 Diamond 0.1061964E+01 Metallicity 0.4765456E+01 Ellipticity 0.3678242E-01 Gb(Abramov) 0.2037353E+00 Vb(Abramov) -0.2680127E+00 Hb(Abramov) -0.6427741E-01 Ex_ueg -0.5463200E-01 Ec_ueg -0.7923175E-02 Delta_ex -0.5914419E-01 Delta_ec 0.1444537E-01 Delta_et -0.1909580E+00 Pxc 0.6895216E+01 Qxc -0.4094334E+01 3,-1 114 3 -1 -0.562220 -2.784895 1.830558 Rho 0.1376263E+00 |GRAD(Rho)| 0.1405904E-13 GRAD(Rho)x -0.1477564E-14 GRAD(Rho)y 0.6558380E-14 GRAD(Rho)z -0.1234752E-13 Laplacian 0.5735166E+00 (-1/4)Del**2(Rho)) -0.1433792E+00 Diamond 0.1033169E+01 Metallicity 0.4407948E+01 Ellipticity 0.1203881E-01 Gb(Abramov) 0.2009207E+00 Vb(Abramov) -0.2584623E+00 Hb(Abramov) -0.5754159E-01 Ex_ueg -0.5247920E-01 Ec_ueg -0.7656190E-02 Delta_ex -0.6014167E-01 Delta_ec 0.1456538E-01 Delta_et -0.1908634E+00 Pxc 0.6854479E+01 Qxc -0.4129084E+01 3,-1 115 3 +3 1.106054 1.108566 1.097876 Rho 0.5285106E-02 |GRAD(Rho)| 0.6479689E-16 GRAD(Rho)x 0.4577626E-16 GRAD(Rho)y 0.4078043E-16 GRAD(Rho)z 0.2097923E-16 Laplacian 0.2038138E-01 (-1/4)Del**2(Rho)) -0.5095345E-02 Diamond 0.1507750E-03 Metallicity 0.5421704E+00 Ellipticity -0.3691388E-01 Gb(Abramov) 0.3857321E-02 Vb(Abramov) -0.2619297E-02 Hb(Abramov) 0.1238024E-02 Ex_ueg -0.6799183E-03 Ec_ueg -0.1592027E-03 Delta_ex -0.7126975E-03 Delta_ec 0.8547798E-04 Delta_et -0.6954640E-03 Pxc 0.4270772E+01 Qxc -0.8337791E+01 3,+3 116 3 -1 -0.522239 -1.722592 -1.736579 Rho 0.4878234E-01 |GRAD(Rho)| 0.6037457E-16 GRAD(Rho)x -0.9128898E-18 GRAD(Rho)y 0.3845741E-16 GRAD(Rho)z 0.4653260E-16 Laplacian 0.1986989E+00 (-1/4)Del**2(Rho)) -0.4967471E-01 Diamond 0.9626973E-01 Metallicity 0.2258684E+01 Ellipticity 0.1244656E-01 Gb(Abramov) 0.5181639E-01 Vb(Abramov) -0.5395807E-01 Hb(Abramov) -0.2141677E-02 Ex_ueg -0.1316443E-01 Ec_ueg -0.2347677E-02 Delta_ex -0.1620367E-01 Delta_ec 0.5831182E-02 Delta_et -0.6106951E-01 Pxc 0.5607425E+01 Qxc -0.2778796E+01 3,-1 117 3 +1 2.169539 -1.305036 1.146898 Rho 0.2701212E-01 |GRAD(Rho)| 0.2732777E-16 GRAD(Rho)x -0.2640370E-16 GRAD(Rho)y -0.1937571E-17 GRAD(Rho)z 0.6774778E-17 Laplacian 0.1103808E+00 (-1/4)Del**2(Rho)) -0.2759520E-01 Diamond 0.1793380E-01 Metallicity 0.1518159E+01 Ellipticity -0.1025077E+02 Gb(Abramov) 0.2537912E-01 Vb(Abramov) -0.2316304E-01 Hb(Abramov) 0.2216082E-02 Ex_ueg -0.5985906E-02 Ec_ueg -0.1190545E-02 Delta_ex -0.7192365E-02 Delta_ec 0.2200697E-02 Delta_et -0.1973760E-01 Pxc 0.5027870E+01 Qxc -0.3268221E+01 3,+1 118 3 +1 0.179595 -0.192927 2.875632 Rho 0.5106930E-02 |GRAD(Rho)| 0.9170869E-16 GRAD(Rho)x 0.6398680E-16 GRAD(Rho)y -0.6568449E-16 GRAD(Rho)z 0.1312030E-17 Laplacian 0.2121057E-01 (-1/4)Del**2(Rho)) -0.5302643E-02 Diamond 0.4742718E-03 Metallicity 0.4920328E+00 Ellipticity -0.2211495E+01 Gb(Abramov) 0.3969941E-02 Vb(Abramov) -0.2637239E-02 Hb(Abramov) 0.1332702E-02 Ex_ueg -0.6495286E-03 Ec_ueg -0.1515173E-03 Delta_ex -0.1027625E-02 Delta_ec 0.6120845E-03 Delta_et -0.3367833E-02 Pxc 0.4286827E+01 Qxc -0.1678893E+01 3,+1 119 3 -1 -0.547786 2.737483 -1.855635 Rho 0.7371765E-01 |GRAD(Rho)| 0.2046703E-15 GRAD(Rho)x 0.1038022E-15 GRAD(Rho)y -0.4620692E-16 GRAD(Rho)z 0.1702350E-15 Laplacian 0.3018923E+00 (-1/4)Del**2(Rho)) -0.7547307E-01 Diamond 0.2600118E+00 Metallicity 0.2958332E+01 Ellipticity 0.2505275E-01 Gb(Abramov) 0.8752778E-01 Vb(Abramov) -0.9958249E-01 Hb(Abramov) -0.1205471E-01 Ex_ueg -0.2282866E-01 Ec_ueg -0.3762743E-02 Delta_ex -0.2745370E-01 Delta_ec 0.8994958E-02 Delta_et -0.1046321E+00 Pxc 0.6067025E+01 Qxc -0.3052121E+01 3,-1 120 3 +1 0.151956 2.923272 -0.226200 Rho 0.5080900E-02 |GRAD(Rho)| 0.6884882E-14 GRAD(Rho)x -0.6219613E-14 GRAD(Rho)y 0.1600534E-14 GRAD(Rho)z -0.2481190E-14 Laplacian 0.2145611E-01 (-1/4)Del**2(Rho)) -0.5364027E-02 Diamond 0.4450483E-03 Metallicity 0.4822770E+00 Ellipticity -0.1766279E+01 Gb(Abramov) 0.4007176E-02 Vb(Abramov) -0.2650325E-02 Hb(Abramov) 0.1356851E-02 Ex_ueg -0.6451181E-03 Ec_ueg -0.1503959E-03 Delta_ex -0.1009898E-02 Delta_ec 0.5681714E-03 Delta_et -0.3143925E-02 Pxc 0.4289466E+01 Qxc -0.1777453E+01 3,+1 121 3 +1 0.200044 0.224113 -2.867302 Rho 0.5363839E-02 |GRAD(Rho)| 0.5173661E-17 GRAD(Rho)x 0.1487044E-17 GRAD(Rho)y 0.4642438E-17 GRAD(Rho)z 0.1732987E-17 Laplacian 0.2216672E-01 (-1/4)Del**2(Rho)) -0.5541680E-02 Diamond 0.4963212E-03 Metallicity 0.5109415E+00 Ellipticity -0.1957682E+01 Gb(Abramov) 0.4166366E-02 Vb(Abramov) -0.2791052E-02 Hb(Abramov) 0.1375314E-02 Ex_ueg -0.6934567E-03 Ec_ueg -0.1626037E-03 Delta_ex -0.1056506E-02 Delta_ec 0.5896049E-03 Delta_et -0.3313725E-02 Pxc 0.4264704E+01 Qxc -0.1791888E+01 3,+1 122 3 -1 -0.589791 -1.808690 2.802522 Rho 0.1468209E+00 |GRAD(Rho)| 0.3807778E-15 GRAD(Rho)x -0.3078050E-15 GRAD(Rho)y 0.1577785E-15 GRAD(Rho)z 0.1592286E-15 Laplacian 0.6223119E+00 (-1/4)Del**2(Rho)) -0.1555780E+00 Diamond 0.1209838E+01 Metallicity 0.4524650E+01 Ellipticity 0.2410768E-01 Gb(Abramov) 0.2210413E+00 Vb(Abramov) -0.2865046E+00 Hb(Abramov) -0.6546333E-01 Ex_ueg -0.5720523E-01 Ec_ueg -0.8240320E-02 Delta_ex -0.6628271E-01 Delta_ec 0.1552132E-01 Delta_et -0.2052093E+00 Pxc 0.6942113E+01 Qxc -0.4270429E+01 3,-1 123 3 +1 0.551057 -1.656267 -0.543362 Rho 0.8935281E-02 |GRAD(Rho)| 0.9516520E-17 GRAD(Rho)x 0.7122071E-17 GRAD(Rho)y -0.2907255E-17 GRAD(Rho)z 0.5602511E-17 Laplacian 0.3463762E-01 (-1/4)Del**2(Rho)) -0.8659405E-02 Diamond 0.9892735E-03 Metallicity 0.7654418E+00 Ellipticity -0.1484454E+01 Gb(Abramov) 0.6877648E-02 Vb(Abramov) -0.5095892E-02 Hb(Abramov) 0.1781757E-02 Ex_ueg -0.1369397E-02 Ec_ueg -0.3200064E-03 Delta_ex -0.1603247E-02 Delta_ec 0.4971281E-03 Delta_et -0.3423583E-02 Pxc 0.4279280E+01 Qxc -0.3225018E+01 3,+1 124 3 +1 0.527803 1.659456 0.500833 Rho 0.8990929E-02 |GRAD(Rho)| 0.7950455E-13 GRAD(Rho)x 0.6973277E-13 GRAD(Rho)y 0.3137314E-13 GRAD(Rho)z -0.2177246E-13 Laplacian 0.3466638E-01 (-1/4)Del**2(Rho)) -0.8666595E-02 Diamond 0.9883890E-03 Metallicity 0.7727618E+00 Ellipticity -0.1481710E+01 Gb(Abramov) 0.6893932E-02 Vb(Abramov) -0.5121270E-02 Hb(Abramov) 0.1772663E-02 Ex_ueg -0.1380780E-02 Ec_ueg -0.3225051E-03 Delta_ex -0.1602805E-02 Delta_ec 0.4898668E-03 Delta_et -0.3385006E-02 Pxc 0.4281421E+01 Qxc -0.3271920E+01 3,+1 125 3 -1 -0.463857 -0.474889 -0.486956 Rho 0.1862311E+00 |GRAD(Rho)| 0.2460771E-13 GRAD(Rho)x -0.1316655E-13 GRAD(Rho)y -0.1572006E-13 GRAD(Rho)z -0.1360370E-13 Laplacian 0.5174574E+00 (-1/4)Del**2(Rho)) -0.1293644E+00 Diamond 0.1387598E+01 Metallicity 0.8087707E+01 Ellipticity 0.1902109E-02 Gb(Abramov) 0.2606197E+00 Vb(Abramov) -0.3918751E+00 Hb(Abramov) -0.1312554E+00 Ex_ueg -0.7854549E-01 Ec_ueg -0.1080192E-01 Delta_ex -0.5885737E-01 Delta_ec 0.1278976E-01 Delta_et -0.1758674E+00 Pxc 0.7271438E+01 Qxc -0.4601915E+01 3,-1 126 3 +3 0.000056 0.013809 -2.336982 Rho 0.4884666E-02 |GRAD(Rho)| 0.1160333E-15 GRAD(Rho)x -0.7252501E-16 GRAD(Rho)y -0.7272342E-16 GRAD(Rho)z 0.5399224E-16 Laplacian 0.1996325E-01 (-1/4)Del**2(Rho)) -0.4990813E-02 Diamond 0.2009340E-03 Metallicity 0.4854078E+00 Ellipticity -0.3350648E+00 Gb(Abramov) 0.3730972E-02 Vb(Abramov) -0.2471131E-02 Hb(Abramov) 0.1259841E-02 Ex_ueg -0.6121130E-03 Ec_ueg -0.1419529E-03 Delta_ex -0.7484009E-03 Delta_ec 0.2006622E-03 Delta_et -0.1255612E-02 Pxc 0.4312085E+01 Qxc -0.3729656E+01 3,+3 127 3 -1 0.571913 -1.779820 -2.780835 Rho 0.1432113E+00 |GRAD(Rho)| 0.4265646E-09 GRAD(Rho)x 0.2732194E-09 GRAD(Rho)y 0.3143597E-09 GRAD(Rho)z -0.9212234E-10 Laplacian 0.5991118E+00 (-1/4)Del**2(Rho)) -0.1497780E+00 Diamond 0.1145978E+01 Metallicity 0.4508865E+01 Ellipticity 0.1255812E-01 Gb(Abramov) 0.2124068E+00 Vb(Abramov) -0.2750355E+00 Hb(Abramov) -0.6262879E-01 Ex_ueg -0.5533773E-01 Ec_ueg -0.8010364E-02 Delta_ex -0.6358716E-01 Delta_ec 0.1532967E-01 Delta_et -0.2026217E+00 Pxc 0.6908267E+01 Qxc -0.4147980E+01 3,-1 128 3 +1 0.529864 -0.531219 -1.671863 Rho 0.9283404E-02 |GRAD(Rho)| 0.3803973E-14 GRAD(Rho)x -0.1270167E-14 GRAD(Rho)y 0.2348371E-14 GRAD(Rho)z 0.2709620E-14 Laplacian 0.3607661E-01 (-1/4)Del**2(Rho)) -0.9019152E-02 Diamond 0.1062342E-02 Metallicity 0.7832485E+00 Ellipticity -0.1472434E+01 Gb(Abramov) 0.7190141E-02 Vb(Abramov) -0.5361130E-02 Hb(Abramov) 0.1829011E-02 Ex_ueg -0.1440991E-02 Ec_ueg -0.3356603E-03 Delta_ex -0.1676696E-02 Delta_ec 0.5009594E-03 Delta_et -0.3497153E-02 Pxc 0.4293006E+01 Qxc -0.3346969E+01 3,+1 129 3 -1 -0.533266 1.786561 -2.800905 Rho 0.1274283E+00 |GRAD(Rho)| 0.1065436E-11 GRAD(Rho)x -0.7564646E-12 GRAD(Rho)y -0.7387972E-12 GRAD(Rho)z -0.1307399E-12 Laplacian 0.5351977E+00 (-1/4)Del**2(Rho)) -0.1337994E+00 Diamond 0.8831819E+00 Metallicity 0.4154722E+01 Ellipticity 0.1393660E-01 Gb(Abramov) 0.1818495E+00 Vb(Abramov) -0.2298996E+00 Hb(Abramov) -0.4805010E-01 Ex_ueg -0.4735940E-01 Ec_ueg -0.7014669E-02 Delta_ex -0.5513655E-01 Delta_ec 0.1394149E-01 Delta_et -0.1806926E+00 Pxc 0.6751480E+01 Qxc -0.3954852E+01 3,-1 130 3 -1 -0.557262 1.721049 1.710383 Rho 0.4720010E-01 |GRAD(Rho)| 0.1191550E-14 GRAD(Rho)x -0.4619896E-15 GRAD(Rho)y 0.5312256E-15 GRAD(Rho)z 0.9613307E-15 Laplacian 0.1913089E+00 (-1/4)Del**2(Rho)) -0.4782722E-01 Diamond 0.8866855E-01 Metallicity 0.2220494E+01 Ellipticity 0.1287849E-01 Gb(Abramov) 0.4958482E-01 Vb(Abramov) -0.5134242E-01 Hb(Abramov) -0.1757603E-02 Ex_ueg -0.1259821E-01 Ec_ueg -0.2260700E-02 Delta_ex -0.1547403E-01 Delta_ec 0.5619286E-02 Delta_et -0.5834565E-01 Pxc 0.5572704E+01 Qxc -0.2753736E+01 3,-1 131 3 -1 1.727118 -0.535112 1.727168 Rho 0.4411353E-01 |GRAD(Rho)| 0.1175009E-15 GRAD(Rho)x 0.4697729E-16 GRAD(Rho)y 0.1904458E-16 GRAD(Rho)z 0.1060043E-15 Laplacian 0.1861045E+00 (-1/4)Del**2(Rho)) -0.4652613E-01 Diamond 0.8138463E-01 Metallicity 0.2039276E+01 Ellipticity 0.8907374E-02 Gb(Abramov) 0.4683069E-01 Vb(Abramov) -0.4713525E-01 Hb(Abramov) -0.3045581E-03 Ex_ueg -0.1151191E-01 Ec_ueg -0.2092173E-02 Delta_ex -0.1493771E-01 Delta_ec 0.5715263E-02 Delta_et -0.5833920E-01 Pxc 0.5502372E+01 Qxc -0.2613652E+01 3,-1 132 3 -1 0.088782 -3.180115 -3.210553 Rho 0.2544614E+00 |GRAD(Rho)| 0.6618682E-12 GRAD(Rho)x -0.1288659E-12 GRAD(Rho)y 0.4565135E-12 GRAD(Rho)z 0.4615826E-12 Laplacian 0.9264542E+00 (-1/4)Del**2(Rho)) -0.2316135E+00 Diamond 0.3499226E+01 Metallicity 0.7600214E+01 Ellipticity 0.2018515E-02 Gb(Abramov) 0.4477944E+00 Vb(Abramov) -0.6639753E+00 Hb(Abramov) -0.2161809E+00 Ex_ueg -0.1190916E+00 Ec_ueg -0.1544451E-01 Delta_ex -0.1135827E+00 Delta_ec 0.1996391E-01 Delta_et -0.2762652E+00 Pxc 0.7710930E+01 Qxc -0.5689399E+01 3,-1 133 3 -1 0.021592 -2.897816 -0.008330 Rho 0.5173686E-02 |GRAD(Rho)| 0.3507874E-15 GRAD(Rho)x -0.3484051E-15 GRAD(Rho)y 0.3972623E-16 GRAD(Rho)z -0.9354955E-17 Laplacian 0.2069405E-01 (-1/4)Del**2(Rho)) -0.5173512E-02 Diamond 0.5851940E-03 Metallicity 0.5153487E+00 Ellipticity 0.2972699E+01 Gb(Abramov) 0.3893369E-02 Vb(Abramov) -0.2613225E-02 Hb(Abramov) 0.1280144E-02 Ex_ueg -0.6608738E-03 Ec_ueg -0.1543949E-03 Delta_ex -0.1106627E-02 Delta_ec 0.7782643E-03 Delta_et -0.4219186E-02 Pxc 0.4280413E+01 Qxc -0.1421917E+01 3,-1 134 3 -1 -0.088254 -3.178230 3.229232 Rho 0.2437501E+00 |GRAD(Rho)| 0.4986953E-13 GRAD(Rho)x 0.8566566E-14 GRAD(Rho)y 0.3480842E-13 GRAD(Rho)z -0.3466926E-13 Laplacian 0.8683800E+00 (-1/4)Del**2(Rho)) -0.2170950E+00 Diamond 0.3146451E+01 Metallicity 0.7547641E+01 Ellipticity 0.1016431E-02 Gb(Abramov) 0.4178225E+00 Vb(Abramov) -0.6185501E+00 Hb(Abramov) -0.2007275E+00 Ex_ueg -0.1124548E+00 Ec_ueg -0.1469873E-01 Delta_ex -0.1054347E+00 Delta_ec 0.1925676E-01 Delta_et -0.2676006E+00 Pxc 0.7650648E+01 Qxc -0.5475203E+01 3,-1 135 3 -1 0.504854 -1.724575 1.749474 Rho 0.4214110E-01 |GRAD(Rho)| 0.1248202E-15 GRAD(Rho)x 0.6281416E-16 GRAD(Rho)y 0.1061258E-15 GRAD(Rho)z -0.1928143E-16 Laplacian 0.1759405E+00 (-1/4)Del**2(Rho)) -0.4398513E-01 Diamond 0.7239767E-01 Metallicity 0.1998744E+01 Ellipticity 0.1900226E-01 Gb(Abramov) 0.4397592E-01 Vb(Abramov) -0.4396671E-01 Hb(Abramov) 0.9209744E-05 Ex_ueg -0.1083078E-01 Ec_ueg -0.1985305E-02 Delta_ex -0.1396805E-01 Delta_ec 0.5413977E-02 Delta_et -0.5458963E-01 Pxc 0.5455472E+01 Qxc -0.2579998E+01 3,-1 136 3 +1 1.658135 0.532054 0.529598 Rho 0.8902402E-02 |GRAD(Rho)| 0.7567801E-17 GRAD(Rho)x 0.9242850E-18 GRAD(Rho)y 0.4029448E-17 GRAD(Rho)z -0.6338837E-17 Laplacian 0.3406222E-01 (-1/4)Del**2(Rho)) -0.8515556E-02 Diamond 0.9715642E-03 Metallicity 0.7736042E+00 Ellipticity -0.1504371E+01 Gb(Abramov) 0.6774982E-02 Vb(Abramov) -0.5034409E-02 Hb(Abramov) 0.1740574E-02 Ex_ueg -0.1362682E-02 Ec_ueg -0.3185306E-03 Delta_ex -0.1576693E-02 Delta_ec 0.4916364E-03 Delta_et -0.3380367E-02 Pxc 0.4278026E+01 Qxc -0.3207032E+01 3,+1 137 3 -1 -0.032300 3.151164 -3.275704 Rho 0.2422253E+00 |GRAD(Rho)| 0.1408149E-14 GRAD(Rho)x 0.6545600E-15 GRAD(Rho)y -0.1019909E-14 GRAD(Rho)z 0.7170913E-15 Laplacian 0.8706891E+00 (-1/4)Del**2(Rho)) -0.2176723E+00 Diamond 0.3121408E+01 Metallicity 0.7449309E+01 Ellipticity 0.2585998E-02 Gb(Abramov) 0.4153662E+00 Vb(Abramov) -0.6130601E+00 Hb(Abramov) -0.1976939E+00 Ex_ueg -0.1115179E+00 Ec_ueg -0.1459308E-01 Delta_ex -0.1054911E+00 Delta_ec 0.1925319E-01 Delta_et -0.2670909E+00 Pxc 0.7641832E+01 Qxc -0.5479148E+01 3,-1 138 3 -1 0.025034 3.185405 3.197951 Rho 0.2546420E+00 |GRAD(Rho)| 0.5023369E-10 GRAD(Rho)x 0.8626668E-11 GRAD(Rho)y 0.3522472E-10 GRAD(Rho)z 0.3475951E-10 Laplacian 0.9253205E+00 (-1/4)Del**2(Rho)) -0.2313301E+00 Diamond 0.3502034E+01 Metallicity 0.7618529E+01 Ellipticity 0.1481840E-02 Gb(Abramov) 0.4479527E+00 Vb(Abramov) -0.6645752E+00 Hb(Abramov) -0.2166225E+00 Ex_ueg -0.1192043E+00 Ec_ueg -0.1545714E-01 Delta_ex -0.1134850E+00 Delta_ec 0.1997117E-01 Delta_et -0.2765411E+00 Pxc 0.7711922E+01 Qxc -0.5682443E+01 3,-1 139 3 -1 0.478016 0.466603 -0.494513 Rho 0.1887637E+00 |GRAD(Rho)| 0.1924840E-15 GRAD(Rho)x -0.2428613E-16 GRAD(Rho)y -0.6938894E-17 GRAD(Rho)z 0.1908196E-15 Laplacian 0.5247696E+00 (-1/4)Del**2(Rho)) -0.1311924E+00 Diamond 0.1424313E+01 Metallicity 0.8156588E+01 Ellipticity 0.1722580E-02 Gb(Abramov) 0.2658087E+00 Vb(Abramov) -0.4004249E+00 Hb(Abramov) -0.1346163E+00 Ex_ueg -0.7997292E-01 Ec_ueg -0.1096962E-01 Delta_ex -0.5984896E-01 Delta_ec 0.1284709E-01 Delta_et -0.1766698E+00 Pxc 0.7290400E+01 Qxc -0.4658562E+01 3,-1 140 3 -1 0.547359 1.795160 2.765647 Rho 0.1438169E+00 |GRAD(Rho)| 0.2949795E-15 GRAD(Rho)x -0.8069175E-16 GRAD(Rho)y 0.2577149E-15 GRAD(Rho)z -0.1186795E-15 Laplacian 0.6047087E+00 (-1/4)Del**2(Rho)) -0.1511772E+00 Diamond 0.1165725E+01 Metallicity 0.4498664E+01 Ellipticity 0.1029462E-01 Gb(Abramov) 0.2141340E+00 Vb(Abramov) -0.2770908E+00 Hb(Abramov) -0.6295682E-01 Ex_ueg -0.5564997E-01 Ec_ueg -0.8048889E-02 Delta_ex -0.6428077E-01 Delta_ec 0.1551636E-01 Delta_et -0.2053450E+00 Pxc 0.6913995E+01 Qxc -0.4142775E+01 3,-1 141 3 +1 1.094795 -1.360057 2.167725 Rho 0.2751670E-01 |GRAD(Rho)| 0.1090121E-15 GRAD(Rho)x 0.9092882E-16 GRAD(Rho)y -0.5817700E-16 GRAD(Rho)z -0.1519967E-16 Laplacian 0.1118583E+00 (-1/4)Del**2(Rho)) -0.2796458E-01 Diamond 0.1767908E-01 Metallicity 0.1545037E+01 Ellipticity -0.5360360E+01 Gb(Abramov) 0.2584410E-01 Vb(Abramov) -0.2372363E-01 Hb(Abramov) 0.2120476E-02 Ex_ueg -0.6135456E-02 Ec_ueg -0.1216242E-02 Delta_ex -0.7232050E-02 Delta_ec 0.2065929E-02 Delta_et -0.1863882E-01 Pxc 0.5044601E+01 Qxc -0.3500629E+01 3,+1 142 3 +1 1.086558 -2.182637 1.384609 Rho 0.2589813E-01 |GRAD(Rho)| 0.1080244E-15 GRAD(Rho)x 0.2161244E-16 GRAD(Rho)y -0.1044097E-15 GRAD(Rho)z 0.1734315E-16 Laplacian 0.1031706E+00 (-1/4)Del**2(Rho)) -0.2579265E-01 Diamond 0.1440784E-01 Metallicity 0.1514158E+01 Ellipticity -0.3856801E+01 Gb(Abramov) 0.2370412E-01 Vb(Abramov) -0.2161560E-01 Hb(Abramov) 0.2088524E-02 Ex_ueg -0.5659042E-02 Ec_ueg -0.1134039E-02 Delta_ex -0.6502609E-02 Delta_ec 0.1795561E-02 Delta_et -0.1597752E-01 Pxc 0.4990165E+01 Qxc -0.3621492E+01 3,+1 143 3 -1 0.589512 -2.756437 -1.814770 Rho 0.1415195E+00 |GRAD(Rho)| 0.1714729E-12 GRAD(Rho)x -0.1008503E-12 GRAD(Rho)y 0.3483416E-13 GRAD(Rho)z -0.1342340E-12 Laplacian 0.5961124E+00 (-1/4)Del**2(Rho)) -0.1490281E+00 Diamond 0.1128784E+01 Metallicity 0.4442684E+01 Ellipticity 0.1095550E-01 Gb(Abramov) 0.2096995E+00 Vb(Abramov) -0.2703709E+00 Hb(Abramov) -0.6067142E-01 Ex_ueg -0.5446782E-01 Ec_ueg -0.7902868E-02 Delta_ex -0.6313607E-01 Delta_ec 0.1538783E-01 Delta_et -0.2032270E+00 Pxc 0.6892159E+01 Qxc -0.4102988E+01 3,-1 144 3 -1 0.900955 1.973013 -3.097699 Rho 0.1744762E+00 |GRAD(Rho)| 0.1905121E-15 GRAD(Rho)x 0.7209944E-16 GRAD(Rho)y -0.8733248E-16 GRAD(Rho)z -0.1531978E-15 Laplacian 0.6682736E+00 (-1/4)Del**2(Rho)) -0.1670684E+00 Diamond 0.1612418E+01 Metallicity 0.5617623E+01 Ellipticity 0.7440330E-01 Gb(Abramov) 0.2678001E+00 Vb(Abramov) -0.3685319E+00 Hb(Abramov) -0.1007317E+00 Ex_ueg -0.7200567E-01 Ec_ueg -0.1002835E-01 Delta_ex -0.7441763E-01 Delta_ec 0.1615052E-01 Delta_et -0.2186393E+00 Pxc 0.7180214E+01 Qxc -0.4607754E+01 3,-1 145 3 -1 0.844915 2.968584 -2.055210 Rho 0.1449800E+00 |GRAD(Rho)| 0.7749451E-13 GRAD(Rho)x 0.3675013E-13 GRAD(Rho)y -0.2919693E-13 GRAD(Rho)z 0.6166333E-13 Laplacian 0.5562255E+00 (-1/4)Del**2(Rho)) -0.1390564E+00 Diamond 0.1077318E+01 Metallicity 0.4956885E+01 Ellipticity 0.5368749E-01 Gb(Abramov) 0.2075853E+00 Vb(Abramov) -0.2761143E+00 Hb(Abramov) -0.6852896E-01 Ex_ueg -0.5625084E-01 Ec_ueg -0.8122937E-02 Delta_ex -0.5918760E-01 Delta_ec 0.1414420E-01 Delta_et -0.1871866E+00 Pxc 0.6924938E+01 Qxc -0.4184584E+01 3,-1 146 3 -1 0.522723 2.765719 1.800108 Rho 0.1438740E+00 |GRAD(Rho)| 0.1584063E-15 GRAD(Rho)x -0.1381816E-15 GRAD(Rho)y 0.7054090E-17 GRAD(Rho)z 0.7712743E-16 Laplacian 0.6030069E+00 (-1/4)Del**2(Rho)) -0.1507517E+00 Diamond 0.1161554E+01 Metallicity 0.4514345E+01 Ellipticity 0.1172393E-01 Gb(Abramov) 0.2139253E+00 Vb(Abramov) -0.2770990E+00 Hb(Abramov) -0.6317363E-01 Ex_ueg -0.5567943E-01 Ec_ueg -0.8052521E-02 Delta_ex -0.6409088E-01 Delta_ec 0.1544403E-01 Delta_et -0.2043408E+00 Pxc 0.6914533E+01 Qxc -0.4149881E+01 3,-1 147 3 -1 1.767420 0.498712 -1.721723 Rho 0.4307160E-01 |GRAD(Rho)| 0.4489373E-16 GRAD(Rho)x 0.4261973E-16 GRAD(Rho)y 0.7022538E-17 GRAD(Rho)z -0.1223476E-16 Laplacian 0.1794398E+00 (-1/4)Del**2(Rho)) -0.4485996E-01 Diamond 0.7600682E-01 Metallicity 0.2032416E+01 Ellipticity 0.3486003E-01 Gb(Abramov) 0.4510232E-01 Vb(Abramov) -0.4534469E-01 Hb(Abramov) -0.2423667E-03 Ex_ueg -0.1115081E-01 Ec_ueg -0.2035638E-02 Delta_ex -0.1432009E-01 Delta_ec 0.5515678E-02 Delta_et -0.5594245E-01 Pxc 0.5477797E+01 Qxc -0.2596251E+01 3,-1 148 3 -1 1.716701 1.732599 -0.546862 Rho 0.4511224E-01 |GRAD(Rho)| 0.7761517E-16 GRAD(Rho)x -0.2395663E-16 GRAD(Rho)y -0.6878776E-16 GRAD(Rho)z 0.2680372E-16 Laplacian 0.1900541E+00 (-1/4)Del**2(Rho)) -0.4751352E-01 Diamond 0.8555125E-01 Metallicity 0.2072812E+01 Ellipticity 0.9155779E-02 Gb(Abramov) 0.4809011E-01 Vb(Abramov) -0.4866670E-01 Hb(Abramov) -0.5765915E-03 Ex_ueg -0.1186071E-01 Ec_ueg -0.2146533E-02 Delta_ex -0.1533338E-01 Delta_ec 0.5824370E-02 Delta_et -0.5980798E-01 Pxc 0.5525522E+01 Qxc -0.2632625E+01 3,-1 149 3 +3 2.339292 -0.038252 0.005466 Rho 0.4516450E-02 |GRAD(Rho)| 0.3822522E-14 GRAD(Rho)x -0.2873188E-14 GRAD(Rho)y 0.1746757E-14 GRAD(Rho)z -0.1818050E-14 Laplacian 0.1822941E-01 (-1/4)Del**2(Rho)) -0.4557352E-02 Diamond 0.1625190E-03 Metallicity 0.4664832E+00 Ellipticity -0.4214443E+00 Gb(Abramov) 0.3392556E-02 Vb(Abramov) -0.2227760E-02 Hb(Abramov) 0.1164796E-02 Ex_ueg -0.5513762E-03 Ec_ueg -0.1261634E-03 Delta_ex -0.6673781E-03 Delta_ec 0.1785733E-03 Delta_et -0.1102069E-02 Pxc 0.4370334E+01 Qxc -0.3737279E+01 3,+3 150 3 -1 1.825020 -2.793114 -0.537741 Rho 0.1309215E+00 |GRAD(Rho)| 0.1630033E-15 GRAD(Rho)x -0.1581715E-15 GRAD(Rho)y -0.3881105E-16 GRAD(Rho)z 0.6749159E-17 Laplacian 0.5525567E+00 (-1/4)Del**2(Rho)) -0.1381392E+00 Diamond 0.9391353E+00 Metallicity 0.4209731E+01 Ellipticity 0.1418394E-01 Gb(Abramov) 0.1890143E+00 Vb(Abramov) -0.2398893E+00 Hb(Abramov) -0.5087508E-01 Ex_ueg -0.4909827E-01 Ec_ueg -0.7233642E-02 Delta_ex -0.5726444E-01 Delta_ec 0.1424069E-01 Delta_et -0.1852588E+00 Pxc 0.6787489E+01 Qxc -0.4021185E+01 3,-1 151 3 -1 1.721606 -1.766002 0.561677 Rho 0.4182313E-01 |GRAD(Rho)| 0.1036070E-15 GRAD(Rho)x 0.1919758E-16 GRAD(Rho)y -0.9497526E-16 GRAD(Rho)z -0.3668193E-16 Laplacian 0.1764023E+00 (-1/4)Del**2(Rho)) -0.4410059E-01 Diamond 0.7172791E-01 Metallicity 0.1968504E+01 Ellipticity 0.1032493E-01 Gb(Abramov) 0.4386909E-01 Vb(Abramov) -0.4363759E-01 Hb(Abramov) 0.2314984E-03 Ex_ueg -0.1072195E-01 Ec_ueg -0.1968140E-02 Delta_ex -0.1397218E-01 Delta_ec 0.5417086E-02 Delta_et -0.5450782E-01 Pxc 0.5447758E+01 Qxc -0.2579280E+01 3,-1 152 3 -1 1.933922 2.992638 -0.859863 Rho 0.1202549E+00 |GRAD(Rho)| 0.2932972E-15 GRAD(Rho)x -0.6812855E-16 GRAD(Rho)y 0.2469440E-15 GRAD(Rho)z 0.1428301E-15 Laplacian 0.4661447E+00 (-1/4)Del**2(Rho)) -0.1165362E+00 Diamond 0.7219288E+00 Metallicity 0.4331086E+01 Ellipticity 0.3735016E-01 Gb(Abramov) 0.1618122E+00 Vb(Abramov) -0.2070881E+00 Hb(Abramov) -0.4527598E-01 Ex_ueg -0.4383846E-01 Ec_ueg -0.6567580E-02 Delta_ex -0.4741847E-01 Delta_ec 0.1241688E-01 Delta_et -0.1595606E+00 Pxc 0.6674978E+01 Qxc -0.3818871E+01 3,-1 153 3 -1 1.766902 2.778030 0.552583 Rho 0.1288979E+00 |GRAD(Rho)| 0.1501872E-12 GRAD(Rho)x 0.1152152E-12 GRAD(Rho)y -0.1394341E-13 GRAD(Rho)z -0.9532697E-13 Laplacian 0.5438792E+00 (-1/4)Del**2(Rho)) -0.1359698E+00 Diamond 0.9078045E+00 Metallicity 0.4167291E+01 Ellipticity 0.4916050E-02 Gb(Abramov) 0.1850842E+00 Vb(Abramov) -0.2341985E+00 Hb(Abramov) -0.4911435E-01 Ex_ueg -0.4808905E-01 Ec_ueg -0.7106695E-02 Delta_ex -0.5615990E-01 Delta_ec 0.1408186E-01 Delta_et -0.1827631E+00 Pxc 0.6766725E+01 Qxc -0.3988103E+01 3,-1 154 3 +1 2.896633 0.164190 -0.177937 Rho 0.5208575E-02 |GRAD(Rho)| 0.1556309E-16 GRAD(Rho)x 0.1159241E-17 GRAD(Rho)y -0.1312280E-16 GRAD(Rho)z -0.8286014E-17 Laplacian 0.2126196E-01 (-1/4)Del**2(Rho)) -0.5315489E-02 Diamond 0.5325505E-03 Metallicity 0.5072337E+00 Ellipticity -0.4051451E+01 Gb(Abramov) 0.3993026E-02 Vb(Abramov) -0.2670562E-02 Hb(Abramov) 0.1322464E-02 Ex_ueg -0.6668226E-03 Ec_ueg -0.1558997E-03 Delta_ex -0.1073179E-02 Delta_ec 0.6832033E-03 Delta_et -0.3750662E-02 Pxc 0.4277255E+01 Qxc -0.1570805E+01 3,+1 155 3 -1 -0.058004 -0.031554 -2.869159 Rho 0.5476131E-02 |GRAD(Rho)| 0.2361125E-12 GRAD(Rho)x 0.1664119E-12 GRAD(Rho)y -0.1674616E-12 GRAD(Rho)z -0.3579126E-14 Laplacian 0.2193676E-01 (-1/4)Del**2(Rho)) -0.5484191E-02 Diamond 0.6517268E-03 Metallicity 0.5344375E+00 Ellipticity 0.3224784E+01 Gb(Abramov) 0.4144620E-02 Vb(Abramov) -0.2805049E-02 Hb(Abramov) 0.1339571E-02 Ex_ueg -0.7128806E-03 Ec_ueg -0.1674598E-03 Delta_ex -0.1170654E-02 Delta_ec 0.7988559E-03 Delta_et -0.4415276E-02 Pxc 0.4257024E+01 Qxc -0.1465414E+01 3,-1 156 3 -1 1.811210 0.557585 2.758889 Rho 0.1289136E+00 |GRAD(Rho)| 0.1844846E-15 GRAD(Rho)x 0.1797065E-16 GRAD(Rho)y -0.1550680E-15 GRAD(Rho)z -0.9831342E-16 Laplacian 0.5446273E+00 (-1/4)Del**2(Rho)) -0.1361568E+00 Diamond 0.9091271E+00 Metallicity 0.4162413E+01 Ellipticity 0.1172823E-01 Gb(Abramov) 0.1852280E+00 Vb(Abramov) -0.2342993E+00 Hb(Abramov) -0.4907122E-01 Ex_ueg -0.4809688E-01 Ec_ueg -0.7107681E-02 Delta_ex -0.5623808E-01 Delta_ec 0.1409952E-01 Delta_et -0.1829935E+00 Pxc 0.6766888E+01 Qxc -0.3988651E+01 3,-1 157 3 -1 2.033015 0.819279 -3.005155 Rho 0.9083160E-01 |GRAD(Rho)| 0.8087877E-13 GRAD(Rho)x -0.4359833E-13 GRAD(Rho)y 0.5730983E-13 GRAD(Rho)z -0.3682586E-13 Laplacian 0.3552205E+00 (-1/4)Del**2(Rho)) -0.8880512E-01 Diamond 0.3912425E+00 Metallicity 0.3560493E+01 Ellipticity 0.1017664E-01 Gb(Abramov) 0.1119017E+00 Vb(Abramov) -0.1349984E+00 Hb(Abramov) -0.2309662E-01 Ex_ueg -0.3015558E-01 Ec_ueg -0.4773094E-02 Delta_ex -0.3381431E-01 Delta_ec 0.1004088E-01 Delta_et -0.1222251E+00 Pxc 0.6317826E+01 Qxc -0.3367666E+01 3,-1 158 3 -1 2.002373 -3.036358 0.896298 Rho 0.1567316E+00 |GRAD(Rho)| 0.1930500E-13 GRAD(Rho)x -0.1540758E-13 GRAD(Rho)y 0.6737354E-14 GRAD(Rho)z 0.9481429E-14 Laplacian 0.6137814E+00 (-1/4)Del**2(Rho)) -0.1534453E+00 Diamond 0.1300458E+01 Metallicity 0.5115172E+01 Ellipticity 0.6878666E-01 Gb(Abramov) 0.2331135E+00 Vb(Abramov) -0.3127816E+00 Hb(Abramov) -0.7966811E-01 Ex_ueg -0.6241089E-01 Ec_ueg -0.8875815E-02 Delta_ex -0.6653095E-01 Delta_ec 0.1522340E-01 Delta_et -0.2034191E+00 Pxc 0.7031567E+01 Qxc -0.4370308E+01 3,-1 159 3 -1 2.795651 -1.852072 -0.528416 Rho 0.1010674E+00 |GRAD(Rho)| 0.2097975E-12 GRAD(Rho)x 0.4891715E-13 GRAD(Rho)y 0.1514927E-12 GRAD(Rho)z -0.1366457E-12 Laplacian 0.4208303E+00 (-1/4)Del**2(Rho)) -0.1052076E+00 Diamond 0.5287650E+00 Metallicity 0.3590801E+01 Ellipticity 0.1162823E-01 Gb(Abramov) 0.1331016E+00 Vb(Abramov) -0.1609957E+00 Hb(Abramov) -0.2789406E-01 Ex_ueg -0.3476961E-01 Ec_ueg -0.5389757E-02 Delta_ex -0.4108939E-01 Delta_ec 0.1166586E-01 Delta_et -0.1451669E+00 Pxc 0.6451054E+01 Qxc -0.3522191E+01 3,-1 160 3 -1 2.834428 -0.598631 -1.790663 Rho 0.1643180E+00 |GRAD(Rho)| 0.1777212E-15 GRAD(Rho)x 0.9955686E-16 GRAD(Rho)y -0.1177715E-15 GRAD(Rho)z 0.8833537E-16 Laplacian 0.6857660E+00 (-1/4)Del**2(Rho)) -0.1714415E+00 Diamond 0.1519056E+01 Metallicity 0.4953505E+01 Ellipticity 0.3220207E-01 Gb(Abramov) 0.2558337E+00 Vb(Abramov) -0.3402259E+00 Hb(Abramov) -0.8439222E-01 Ex_ueg -0.6647097E-01 Ec_ueg -0.9366288E-02 Delta_ex -0.7504655E-01 Delta_ec 0.1650911E-01 Delta_et -0.2211082E+00 Pxc 0.7096832E+01 Qxc -0.4545767E+01 3,-1 161 3 -1 2.997297 -0.844962 1.974454 Rho 0.1316485E+00 |GRAD(Rho)| 0.1247690E-15 GRAD(Rho)x 0.5337663E-16 GRAD(Rho)y 0.5355959E-16 GRAD(Rho)z 0.9924516E-16 Laplacian 0.5141837E+00 (-1/4)Del**2(Rho)) -0.1285459E+00 Diamond 0.8861848E+00 Metallicity 0.4565846E+01 Ellipticity 0.4822384E-01 Gb(Abramov) 0.1835174E+00 Vb(Abramov) -0.2384889E+00 Hb(Abramov) -0.5497151E-01 Ex_ueg -0.4946213E-01 Ec_ueg -0.7279317E-02 Delta_ex -0.5343547E-01 Delta_ec 0.1337022E-01 Delta_et -0.1743494E+00 Pxc 0.6794886E+01 Qxc -0.3996605E+01 3,-1 162 3 -1 3.248953 -0.109416 -3.158425 Rho 0.2427560E+00 |GRAD(Rho)| 0.6216494E-10 GRAD(Rho)x 0.4230259E-10 GRAD(Rho)y -0.1029023E-10 GRAD(Rho)z -0.4437434E-10 Laplacian 0.8659433E+00 (-1/4)Del**2(Rho)) -0.2164858E+00 Diamond 0.3120040E+01 Metallicity 0.7517504E+01 Ellipticity 0.8587420E-03 Gb(Abramov) 0.4155627E+00 Vb(Abramov) -0.6146396E+00 Hb(Abramov) -0.1990769E+00 Ex_ueg -0.1118437E+00 Ec_ueg -0.1462984E-01 Delta_ex -0.1050152E+00 Delta_ec 0.1920560E-01 Delta_et -0.2667614E+00 Pxc 0.7644908E+01 Qxc -0.5467948E+01 3,-1 163 3 -1 2.909044 0.068111 -0.082624 Rho 0.5216365E-02 |GRAD(Rho)| 0.5400867E-17 GRAD(Rho)x -0.8727948E-18 GRAD(Rho)y -0.3009252E-17 GRAD(Rho)z -0.4399090E-17 Laplacian 0.2084461E-01 (-1/4)Del**2(Rho)) -0.5211153E-02 Diamond 0.5924372E-03 Metallicity 0.5186798E+00 Ellipticity 0.3525907E+01 Gb(Abramov) 0.3924589E-02 Vb(Abramov) -0.2638024E-02 Hb(Abramov) 0.1286564E-02 Ex_ueg -0.6681527E-03 Ec_ueg -0.1562357E-03 Delta_ex -0.1113224E-02 Delta_ec 0.7783575E-03 Delta_et -0.4232159E-02 Pxc 0.4276568E+01 Qxc -0.1430222E+01 3,-1 164 3 -1 3.200595 0.066570 3.175709 Rho 0.2436342E+00 |GRAD(Rho)| 0.7912526E-12 GRAD(Rho)x -0.5518465E-12 GRAD(Rho)y -0.1622016E-12 GRAD(Rho)z -0.5433569E-12 Laplacian 0.8717559E+00 (-1/4)Del**2(Rho)) -0.2179390E+00 Diamond 0.3152600E+01 Metallicity 0.7512459E+01 Ellipticity 0.2637586E-03 Gb(Abramov) 0.4181689E+00 Vb(Abramov) -0.6183988E+00 Hb(Abramov) -0.2002299E+00 Ex_ueg -0.1123836E+00 Ec_ueg -0.1469070E-01 Delta_ex -0.1058091E+00 Delta_ec 0.1929452E-01 Delta_et -0.2679433E+00 Pxc 0.7649981E+01 Qxc -0.5483894E+01 3,-1 165 3 -1 3.000563 0.850830 -1.999997 Rho 0.1349224E+00 |GRAD(Rho)| 0.1789692E-12 GRAD(Rho)x -0.7087068E-13 GRAD(Rho)y -0.1206291E-12 GRAD(Rho)z -0.1116062E-12 Laplacian 0.5202559E+00 (-1/4)Del**2(Rho)) -0.1300640E+00 Diamond 0.9243500E+00 Metallicity 0.4701137E+01 Ellipticity 0.4945348E-01 Gb(Abramov) 0.1886174E+00 Vb(Abramov) -0.2471708E+00 Hb(Abramov) -0.5855344E-01 Ex_ueg -0.5110897E-01 Ec_ueg -0.7485433E-02 Delta_ex -0.5439893E-01 Delta_ec 0.1346544E-01 Delta_et -0.1763034E+00 Pxc 0.6827790E+01 Qxc -0.4039892E+01 3,-1 166 3 -1 2.767682 0.565341 1.791980 Rho 0.1220440E+00 |GRAD(Rho)| 0.4013433E-13 GRAD(Rho)x -0.3587317E-14 GRAD(Rho)y -0.2559572E-13 GRAD(Rho)z 0.3070431E-13 Laplacian 0.5092984E+00 (-1/4)Del**2(Rho)) -0.1273246E+00 Diamond 0.7971901E+00 Metallicity 0.4062891E+01 Ellipticity 0.5514018E-02 Gb(Abramov) 0.1711007E+00 Vb(Abramov) -0.2148768E+00 Hb(Abramov) -0.4377612E-01 Ex_ueg -0.4471025E-01 Ec_ueg -0.6678762E-02 Delta_ex -0.5191670E-01 Delta_ec 0.1338593E-01 Delta_et -0.1722238E+00 Pxc 0.6694393E+01 Qxc -0.3878453E+01 3,-1 167 3 -1 3.188841 -3.250768 -0.012285 Rho 0.2437712E+00 |GRAD(Rho)| 0.2898261E-14 GRAD(Rho)x 0.1881091E-14 GRAD(Rho)y -0.3779529E-15 GRAD(Rho)z 0.2172226E-14 Laplacian 0.8692182E+00 (-1/4)Del**2(Rho)) -0.2173045E+00 Diamond 0.3148104E+01 Metallicity 0.7541455E+01 Ellipticity 0.2159497E-02 Gb(Abramov) 0.4180017E+00 Vb(Abramov) -0.6186989E+00 Hb(Abramov) -0.2006972E+00 Ex_ueg -0.1124678E+00 Ec_ueg -0.1470020E-01 Delta_ex -0.1055299E+00 Delta_ec 0.1925890E-01 Delta_et -0.2675598E+00 Pxc 0.7650770E+01 Qxc -0.5479541E+01 3,-1 168 3 -1 2.953139 2.026532 -0.877810 Rho 0.1287195E+00 |GRAD(Rho)| 0.2780497E-14 GRAD(Rho)x -0.6552376E-15 GRAD(Rho)y 0.1842249E-14 GRAD(Rho)z 0.1976853E-14 Laplacian 0.5001208E+00 (-1/4)Del**2(Rho)) -0.1250302E+00 Diamond 0.8397746E+00 Metallicity 0.4521463E+01 Ellipticity 0.4569782E-01 Gb(Abramov) 0.1775734E+00 Vb(Abramov) -0.2301165E+00 Hb(Abramov) -0.5254317E-01 Ex_ueg -0.4800034E-01 Ec_ueg -0.7095518E-02 Delta_ex -0.5170234E-01 Delta_ec 0.1309270E-01 Delta_et -0.1701478E+00 Pxc 0.6764882E+01 Qxc -0.3948945E+01 3,-1 169 3 -1 2.992879 -2.017018 0.861749 Rho 0.1342366E+00 |GRAD(Rho)| 0.1999949E-15 GRAD(Rho)x -0.1149864E-15 GRAD(Rho)y -0.1625016E-15 GRAD(Rho)z -0.1921748E-16 Laplacian 0.5201029E+00 (-1/4)Del**2(Rho)) -0.1300257E+00 Diamond 0.9187961E+00 Metallicity 0.4662749E+01 Ellipticity 0.4415716E-01 Gb(Abramov) 0.1877300E+00 Vb(Abramov) -0.2454343E+00 Hb(Abramov) -0.5770431E-01 Ex_ueg -0.5076288E-01 Ec_ueg -0.7442199E-02 Delta_ex -0.5431990E-01 Delta_ec 0.1348546E-01 Delta_et -0.1764401E+00 Pxc 0.6820952E+01 Qxc -0.4028034E+01 3,-1 170 3 -1 3.142837 3.218719 0.050068 Rho 0.2430968E+00 |GRAD(Rho)| 0.7433926E-15 GRAD(Rho)x -0.4659359E-15 GRAD(Rho)y -0.5651946E-15 GRAD(Rho)z -0.1268517E-15 Laplacian 0.8703397E+00 (-1/4)Del**2(Rho)) -0.2175849E+00 Diamond 0.3138726E+01 Metallicity 0.7497037E+01 Ellipticity 0.1517667E-02 Gb(Abramov) 0.4169303E+00 Vb(Abramov) -0.6162757E+00 Hb(Abramov) -0.1993454E+00 Ex_ueg -0.1120531E+00 Ec_ueg -0.1465345E-01 Delta_ex -0.1055742E+00 Delta_ec 0.1927213E-01 Delta_et -0.2675962E+00 Pxc 0.7646878E+01 Qxc -0.5478077E+01 3,-1 171 3 -1 -3.811215 4.304018 -0.800202 Rho 0.3265795E+00 |GRAD(Rho)| 0.3923403E-14 GRAD(Rho)x 0.2406218E-14 GRAD(Rho)y -0.2989179E-14 GRAD(Rho)z 0.8173220E-15 Laplacian -0.1783002E+01 (-1/4)Del**2(Rho)) 0.4457505E+00 Diamond 0.6304733E+01 Metallicity -0.5985624E+01 Ellipticity 0.1292258E-02 Gb(Abramov) 0.1475155E+00 Vb(Abramov) -0.7407815E+00 Hb(Abramov) -0.5932660E+00 Ex_ueg -0.1661002E+00 Ec_ueg -0.2063005E-01 Delta_ex 0.1792649E+00 Delta_ec 0.6169957E-01 Delta_et -0.1478779E+01 Pxc 0.8051371E+01 Qxc 0.2905448E+01 3,-1 172 3 -1 -3.248226 -0.059162 3.180808 Rho 0.2553252E+00 |GRAD(Rho)| 0.8717281E-14 GRAD(Rho)x -0.7900039E-14 GRAD(Rho)y 0.2429507E-14 GRAD(Rho)z 0.2770895E-14 Laplacian 0.9245859E+00 (-1/4)Del**2(Rho)) -0.2311465E+00 Diamond 0.3515548E+01 Metallicity 0.7658708E+01 Ellipticity 0.1855425E-02 Gb(Abramov) 0.4491449E+00 Vb(Abramov) -0.6671433E+00 Hb(Abramov) -0.2179984E+00 Ex_ueg -0.1196309E+00 Ec_ueg -0.1550493E-01 Delta_ex -0.1134994E+00 Delta_ec 0.1998254E-01 Delta_et -0.2769187E+00 Pxc 0.7715669E+01 Qxc -0.5679926E+01 3,-1 173 3 -1 -3.212257 0.038506 -3.172889 Rho 0.2544630E+00 |GRAD(Rho)| 0.8537546E-15 GRAD(Rho)x -0.5728924E-15 GRAD(Rho)y 0.8855221E-16 GRAD(Rho)z -0.6267773E-15 Laplacian 0.9303320E+00 (-1/4)Del**2(Rho)) -0.2325830E+00 Diamond 0.3511263E+01 Metallicity 0.7568613E+01 Ellipticity 0.3132160E-02 Gb(Abramov) 0.4484438E+00 Vb(Abramov) -0.6643046E+00 Hb(Abramov) -0.2158608E+00 Ex_ueg -0.1190926E+00 Ec_ueg -0.1544462E-01 Delta_ex -0.1140453E+00 Delta_ec 0.2002426E-01 Delta_et -0.2769894E+00 Pxc 0.7710939E+01 Qxc -0.5695355E+01 3,-1 174 3 -1 -1.725668 -0.553286 -1.726399 Rho 0.5027080E-01 |GRAD(Rho)| 0.5049210E-16 GRAD(Rho)x 0.4215556E-16 GRAD(Rho)y 0.2397993E-16 GRAD(Rho)z 0.1404719E-16 Laplacian 0.2062002E+00 (-1/4)Del**2(Rho)) -0.5155005E-01 Diamond 0.1043243E+00 Metallicity 0.2288322E+01 Ellipticity 0.1182567E-01 Gb(Abramov) 0.5402722E-01 Vb(Abramov) -0.5650439E-01 Hb(Abramov) -0.2477169E-02 Ex_ueg -0.1370270E-01 Ec_ueg -0.2429849E-02 Delta_ex -0.1695425E-01 Delta_ec 0.6069243E-02 Delta_et -0.6406771E-01 Pxc 0.5639323E+01 Qxc -0.2793470E+01 3,-1 175 3 -1 -1.833143 -0.564807 2.780423 Rho 0.1276606E+00 |GRAD(Rho)| 0.1075339E-15 GRAD(Rho)x 0.4598372E-16 GRAD(Rho)y -0.9698188E-16 GRAD(Rho)z -0.6600081E-17 Laplacian 0.5357090E+00 (-1/4)Del**2(Rho)) -0.1339272E+00 Diamond 0.9002180E+00 Metallicity 0.4163378E+01 Ellipticity 0.1718678E-01 Gb(Abramov) 0.1822165E+00 Vb(Abramov) -0.2305057E+00 Hb(Abramov) -0.4828921E-01 Ex_ueg -0.4747457E-01 Ec_ueg -0.7029209E-02 Delta_ex -0.5538954E-01 Delta_ec 0.1426308E-01 Delta_et -0.1854927E+00 Pxc 0.6753899E+01 Qxc -0.3883421E+01 3,-1 176 3 -1 -1.992404 -0.876243 -2.990418 Rho 0.1477255E+00 |GRAD(Rho)| 0.2947423E-15 GRAD(Rho)x 0.1108190E-15 GRAD(Rho)y 0.4939896E-16 GRAD(Rho)z 0.2686111E-15 Laplacian 0.5800375E+00 (-1/4)Del**2(Rho)) -0.1450094E+00 Diamond 0.1159242E+01 Metallicity 0.4904366E+01 Ellipticity 0.3998558E-01 Gb(Abramov) 0.2152028E+00 Vb(Abramov) -0.2853961E+00 Hb(Abramov) -0.7019338E-01 Ex_ueg -0.5767563E-01 Ec_ueg -0.8298072E-02 Delta_ex -0.6210985E-01 Delta_ec 0.1486660E-01 Delta_et -0.1976914E+00 Pxc 0.6950485E+01 Qxc -0.4177811E+01 3,-1 177 3 -1 -0.871305 1.954040 2.991488 Rho 0.1409858E+00 |GRAD(Rho)| 0.2800871E-15 GRAD(Rho)x -0.2569966E-15 GRAD(Rho)y -0.3271580E-16 GRAD(Rho)z 0.1064483E-15 Laplacian 0.5575421E+00 (-1/4)Del**2(Rho)) -0.1393855E+00 Diamond 0.1051758E+01 Metallicity 0.4720208E+01 Ellipticity 0.3379885E-01 Gb(Abramov) 0.2025785E+00 Vb(Abramov) -0.2657714E+00 Hb(Abramov) -0.6319294E-01 Ex_ueg -0.5419413E-01 Ec_ueg -0.7868996E-02 Delta_ex -0.5900519E-01 Delta_ec 0.1442074E-01 Delta_et -0.1903789E+00 Pxc 0.6887045E+01 Qxc -0.4091690E+01 3,-1 178 3 -1 -0.474066 0.472116 0.442874 Rho 0.1819230E+00 |GRAD(Rho)| 0.2515768E-15 GRAD(Rho)x 0.2046974E-15 GRAD(Rho)y 0.5551115E-16 GRAD(Rho)z -0.1353084E-15 Laplacian 0.4910437E+00 (-1/4)Del**2(Rho)) -0.1227609E+00 Diamond 0.1282418E+01 Metallicity 0.8196702E+01 Ellipticity 0.6434537E-02 Gb(Abramov) 0.2495464E+00 Vb(Abramov) -0.3763319E+00 Hb(Abramov) -0.1267855E+00 Ex_ueg -0.7613224E-01 Ec_ueg -0.1051749E-01 Delta_ex -0.5554237E-01 Delta_ec 0.1224097E-01 Delta_et -0.1679769E+00 Pxc 0.7238630E+01 Qxc -0.4537415E+01 3,-1 179 3 -1 0.471302 -0.473446 0.461614 Rho 0.1898919E+00 |GRAD(Rho)| 0.3830210E-14 GRAD(Rho)x -0.1981054E-14 GRAD(Rho)y 0.2216977E-14 GRAD(Rho)z -0.2414735E-14 Laplacian 0.5273419E+00 (-1/4)Del**2(Rho)) -0.1318355E+00 Diamond 0.1440190E+01 Metallicity 0.8197821E+01 Ellipticity 0.1951021E-02 Gb(Abramov) 0.2680176E+00 Vb(Abramov) -0.4041997E+00 Hb(Abramov) -0.1361821E+00 Ex_ueg -0.8061090E-01 Ec_ueg -0.1104445E-01 Delta_ex -0.6022270E-01 Delta_ec 0.1287169E-01 Delta_et -0.1770595E+00 Pxc 0.7298772E+01 Qxc -0.4678693E+01 3,-1 180 3 -1 1.840211 -0.570216 -2.754684 Rho 0.1294039E+00 |GRAD(Rho)| 0.6811778E-15 GRAD(Rho)x 0.6270890E-15 GRAD(Rho)y 0.2390124E-15 GRAD(Rho)z 0.1167720E-15 Laplacian 0.5384702E+00 (-1/4)Del**2(Rho)) -0.1346176E+00 Diamond 0.9035158E+00 Metallicity 0.4236726E+01 Ellipticity 0.5651450E-03 Gb(Abramov) 0.1848013E+00 Vb(Abramov) -0.2349851E+00 Hb(Abramov) -0.5018377E-01 Ex_ueg -0.4834091E-01 Ec_ueg -0.7138413E-02 Delta_ex -0.5566011E-01 Delta_ec 0.1393949E-01 Delta_et -0.1810490E+00 Pxc 0.6771942E+01 Qxc -0.3992980E+01 3,-1 181 3 -1 2.009128 -0.857828 2.978222 Rho 0.1372651E+00 |GRAD(Rho)| 0.4398939E-15 GRAD(Rho)x 0.2629868E-15 GRAD(Rho)y 0.3108814E-15 GRAD(Rho)z -0.1664250E-15 Laplacian 0.5344049E+00 (-1/4)Del**2(Rho)) -0.1336012E+00 Diamond 0.9684869E+00 Metallicity 0.4709877E+01 Ellipticity 0.5066142E-01 Gb(Abramov) 0.1939417E+00 Vb(Abramov) -0.2542822E+00 Hb(Abramov) -0.6034049E-01 Ex_ueg -0.5229561E-01 Ec_ueg -0.7633350E-02 Delta_ex -0.5610309E-01 Delta_ec 0.1375718E-01 Delta_et -0.1805665E+00 Pxc 0.6850938E+01 Qxc -0.4078095E+01 3,-1 182 3 -1 2.750206 1.826793 0.543260 Rho 0.1411535E+00 |GRAD(Rho)| 0.1150311E-13 GRAD(Rho)x -0.6486389E-14 GRAD(Rho)y -0.9498424E-14 GRAD(Rho)z 0.1677667E-15 Laplacian 0.5894197E+00 (-1/4)Del**2(Rho)) -0.1473549E+00 Diamond 0.1092933E+01 Metallicity 0.4473781E+01 Ellipticity 0.1814744E-01 Gb(Abramov) 0.2081089E+00 Vb(Abramov) -0.2688628E+00 Hb(Abramov) -0.6075396E-01 Ex_ueg -0.5428010E-01 Ec_ueg -0.7879639E-02 Delta_ex -0.6217492E-01 Delta_ec 0.1484450E-01 Delta_et -0.1951756E+00 Pxc 0.6888653E+01 Qxc -0.4188414E+01 3,-1 183 3 -1 -2.778350 1.772176 -0.549910 Rho 0.1446351E+00 |GRAD(Rho)| 0.8388166E-14 GRAD(Rho)x 0.4285187E-14 GRAD(Rho)y -0.7130364E-14 GRAD(Rho)z -0.1075366E-14 Laplacian 0.5958462E+00 (-1/4)Del**2(Rho)) -0.1489615E+00 Diamond 0.1132880E+01 Metallicity 0.4608946E+01 Ellipticity 0.1646684E-01 Gb(Abramov) 0.2137337E+00 Vb(Abramov) -0.2785058E+00 Hb(Abramov) -0.6477212E-01 Ex_ueg -0.5607249E-01 Ec_ueg -0.8100970E-02 Delta_ex -0.6317966E-01 Delta_ec 0.1482679E-01 Delta_et -0.1954184E+00 Pxc 0.6921701E+01 Qxc -0.4261183E+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 81 135 122 114 79 105 134 116 127 143 84 113 132 98 129 119 144 145 137 130 140 146 177 108 138 151 159 150 169 158 167 148 182 153 168 152 170 62 183 107 71 94 65 89 72 101 66 99 60 174 82 95 74 176 173 96 75 175 68 87 172 131 166 156 161 181 164 147 160 180 165 157 162 179 125 139 178 69 163 155 133 171 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 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 21 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 23 28 54 2.419063 1.894888 1.923158 1.968156 2.024956 1.711013 2.379617 1.930423 1.934390 1.959778 1.946469 1.721780 2.394469 1.951658 2.175017 1.840041 1.915114 1.713130 2.394335 1.928454 1.928840 1.947458 1.956558 1.721491 2.420808 2.045951 1.940461 1.945341 1.881670 1.710862 2.390609 1.912691 1.947601 1.962786 1.989900 1.711988 2.353709 1.904849 1.803383 1.988312 1.938690 1.864256 2.414040 1.949114 1.953854 1.950056 1.952542 1.710083 2.365661 1.972801 1.925308 1.945379 1.929825 1.721650 2.419969 1.929431 1.975241 1.912002 1.940525 1.720462 2.399104 1.970610 1.947129 1.952404 1.936375 1.711084 2.411282 1.851910 1.947610 1.944179 2.102213 1.712621 1.689091 1.697135 1.691547 1.708212 3.234230 3.270805 3.259602 3.279936 0.983628 2.420742 1.895356 1.923682 1.969024 2.025754 1.711024 2.381231 1.930900 1.934795 1.960471 1.947146 1.721785 2.396472 1.952215 2.175626 1.840531 1.915910 1.713150 2.395995 1.928865 1.929280 1.948154 1.957040 1.721497 2.422550 2.046482 1.941019 1.946150 1.882325 1.710875 2.392409 1.913239 1.948091 1.963604 1.990884 1.712000 2.355101 1.905547 1.804251 1.989646 1.939806 1.865821 2.415614 1.949609 1.954447 1.950894 1.953404 1.710094 2.367344 1.973331 1.925731 1.946072 1.930465 1.721653 2.421491 1.929881 1.975631 1.912373 1.941205 1.720468 2.401002 1.971193 1.947643 1.953257 1.937138 1.711095 2.412861 1.852401 1.948070 1.945021 2.103087 1.712634 1.689095 1.697140 1.691553 1.708218 3.243572 3.286555 3.271466 3.289367 0.983896 31 25 25 27 24 24 27 25 27 27 25 26 27 24 27 24 27 22 31 28 28 25 25 23 31 27 27 26 25 20 32 26 28 25 27 22 30 25 23 26 28 26 30 26 25 28 25 22 27 27 25 28 25 22 27 28 26 28 28 22 31 27 25 28 25 22 32 24 24 27 29 25 25 23 28 22 35 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 Mo W Mo W Mo Mo Mo Mo W 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 2.3929 2.5095 2.3826 2.5114 2.3761 2.3862 2.5677 2.4151 2.5147 2.4988 2.3901 2.3863 -1.1260 -1.1463 -1.1320 -1.1381 -0.9149 -0.8819 -0.8967 -0.8926 -0.9218 -0.9153 -0.9289 -0.9063 -0.8333 -0.8938 -0.9128 -0.9185 -0.8716 -0.8996 -0.8818 -0.8988 -0.8752 -0.8550 -0.9373 -0.9343 -0.9014 -0.8933 -0.8676 -0.8763 -0.6445 -0.7233 -0.6460 -0.7220 -0.6425 -0.6458 -0.6572 -0.6426 -0.7204 -0.7191 -0.6431 -0.6488 2.4672 0.3079 1.9100 2.0816 1.9139 2.0788 1.9160 1.9163 1.9142 1.9340 2.0790 2.0857 1.9142 1.9097 1.9401 1.9361 1.9395 1.9362 1.9399 1.9490 1.9436 1.9450 1.9402 1.9402 1.9386 1.9428 1.9635 1.9444 1.9406 1.9398 1.9553 1.9521 1.9556 1.9530 1.9562 1.9624 1.9497 1.9512 1.9518 1.9523 1.9578 1.9554 1.9888 1.9771 1.9880 1.9777 1.9886 1.9881 1.8847 1.9888 1.9774 1.9784 1.9884 1.9883 0.8085 0.5947 6.0635 6.0843 6.0632 6.0836 6.0671 6.0648 6.0174 6.0414 6.0823 6.0876 6.0626 6.0679 5.1469 5.1703 5.1531 5.1626 4.9469 4.9051 4.9243 4.9212 4.9533 4.9468 4.9626 4.9347 4.8398 4.9229 4.9437 4.9506 4.8874 4.9165 4.8976 4.9149 4.8904 4.8620 4.9543 4.9494 4.9188 4.9098 4.8801 4.8922 4.6187 4.7073 4.6213 4.7053 4.6168 4.6208 4.7415 4.6167 4.7040 4.7015 4.6177 4.6237 1.1717 0.0974 3.6336 3.2957 3.6403 3.2974 3.6407 3.6327 3.5007 3.6095 3.2953 3.2992 3.6331 3.6361 0.0390 0.0399 0.0393 0.0393 0.0281 0.0278 0.0289 0.0264 0.0283 0.0283 0.0277 0.0288 0.0300 0.0265 0.0285 0.0281 0.0289 0.0310 0.0286 0.0309 0.0286 0.0306 0.0332 0.0336 0.0308 0.0312 0.0297 0.0287 0.0370 0.0389 0.0368 0.0390 0.0371 0.0369 0.0309 0.0371 0.0391 0.0393 0.0370 0.0367 10.5527 0.0000 0.0000 14.0288 0.0000 14.0288 0.0000 0.0000 0.0000 0.0000 14.0288 14.0287 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 Mo W Mo W Mo Mo Mo Mo W 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 3.181723 2.522603 3.169787 2.522136 3.181310 3.182235 3.207487 3.183769 2.524120 2.521790 3.184029 3.173393 -1.213309 -1.140494 -1.217360 -1.136633 -1.042495 -1.145164 -1.042646 -1.158170 -1.050103 -1.043387 -1.051734 -1.051548 -1.080280 -1.160133 -1.043114 -1.048008 -1.113293 -1.006876 -1.118846 -0.985146 -1.112796 -1.095484 -0.902398 -0.895365 -1.007147 -1.003131 -1.107875 -1.117562 -0.905970 -0.743919 -0.907813 -0.740997 -0.904540 -0.908204 -0.637319 -0.906706 -0.739341 -0.737234 -0.905064 -0.910796 2.323705 0.160315 2.391589 1.964618 2.385866 1.964968 2.393313 2.389812 2.235762 2.382104 1.967834 1.969277 2.391184 2.387293 -0.935416 -0.829093 -0.938105 -0.808128 -0.795561 -0.898718 -0.765432 -0.897667 -0.796408 -0.794620 -0.798704 -0.803091 -0.826286 -0.897112 -0.791705 -0.796204 -0.881745 -0.806525 -0.891408 -0.765495 -0.892354 -0.882577 -0.719879 -0.719184 -0.806117 -0.766523 -0.888403 -0.893515 -0.644588 -0.614674 -0.643354 -0.611088 -0.642230 -0.649645 -0.699455 -0.657341 -0.607841 -0.605407 -0.646656 -0.648095 1.684363 0.448366 2.466140 2.057563 2.450448 2.055052 2.465616 2.465466 2.588698 2.460762 2.060694 2.057410 2.468653 2.456092 -0.935324 -0.855675 -0.933024 -0.845236 -0.881196 -0.964596 -0.887580 -0.973813 -0.875193 -0.878531 -0.891186 -0.879289 -0.931164 -0.971604 -0.871469 -0.885486 -0.918450 -0.840509 -0.941918 -0.841857 -0.940268 -0.911767 -0.758611 -0.753189 -0.839182 -0.843118 -0.923616 -0.932042 -0.598686 -0.580853 -0.605142 -0.576794 -0.600027 -0.604919 -0.715452 -0.619239 -0.573572 -0.571895 -0.602209 -0.602957 1.671301 0.432744 -4.09339749 6.93983211 -1.51170950 8.19770934 3.87691585 -29.28762075 8.61672929 18.33216527 -17.41694577 -22.20908113 -371.6031 410.8656 -133.5975 -345.7922 -5.0298 -445.1569 Jun12-2024 11:01:59 Nodes: 1 Procs: 1 Jun12-2024 11:02:01 Nodes: 1 Procs: 1 0 Jun12-2024 11:02:04 Nodes: 1 Procs: 1 Jun12-2024 11:02:05 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 11:02:08 Nodes: 1 Procs: 1 Jun12-2024 11:02:10 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 11:02:14 Nodes: 1 Procs: 1 Jun12-2024 11:02:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 11:02:18 Nodes: 1 Procs: 1 Jun12-2024 11:02:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 11:02:27 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 -15.77218631 -16.19639376 -16.24934374 -16.33708317 -16.35128899 -16.35368618 -16.35493564 -16.35699079 -16.35714180 -16.35724403 -16.35733748 -16.35740672 -16.35757606 -16.35769876 -16.35795554 -16.35820165 -16.35848675 -16.35870220 -16.35882889 -16.35900048 -16.35905943 -16.35910592 -16.35913046 -16.35914825 -16.35918711 -16.35920436 -16.35921639 GEOMETRY CONVERGED