ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.04 0.81 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.03 1.36 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:51 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.07 0.05 1.40 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:03 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 0.95 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:13 Hydrogen (TZP) c11-46 c11-46 c11-46 c11-46 c11-46 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.85 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:13 Nodes: 1 Procs: 1 Jun10-2024 15:29:31 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:35 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2481.477600000002 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253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 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 -8.044 -8.014 -7.920 -7.845 -7.831 -7.811 -7.792 -7.779 -7.533 -7.513 -5.310 -5.288 -5.050 -4.935 -4.763 -4.698 -4.504 -4.415 -4.230 -4.181 A A A A A A A A A A A A A A A A A A A A 0.00000000078336 0.00043889231900 0.00027151464028 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 42 42 42 42 42 74 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 33 1 1 0.072281 -2.521602 2.602175 0.137458 2.551040 -2.595621 2.550174 -2.520809 0.131936 2.542975 2.568990 -0.079859 2.557997 0.141164 -2.574542 -0.087738 -2.570673 -2.535167 -0.119635 2.551428 2.568769 -2.513109 2.515121 0.086426 -2.537123 -2.569458 -0.097878 -2.525389 -0.152968 -2.566344 -2.585797 0.112513 2.557406 2.557217 -0.092215 2.574133 0.990623 -0.960815 0.973853 -0.963362 -0.992418 -0.975402 0.981235 0.989109 -0.993568 -0.990440 0.984631 0.944381 -2.975892 -1.165852 1.169873 2.990656 -1.167761 -1.088127 -2.968660 1.137925 -1.116590 2.995807 1.173401 1.167635 1.164132 -1.157682 -2.959928 1.146588 1.170146 2.999303 -1.145767 1.138971 -2.970126 -1.176894 -1.152226 3.044048 -1.169319 2.988046 -1.116894 -1.128268 -2.995001 1.163453 1.119639 3.013212 1.151949 1.166745 -3.002889 -1.113232 3.413016 -1.487466 1.529153 -3.391360 -1.520682 -1.500445 3.399505 1.517925 -1.522386 -3.400689 1.512661 1.486915 1.517696 -1.494237 3.419006 1.533046 1.521731 -3.466632 -1.524332 1.501243 3.402747 -1.494185 -1.534659 -3.417975 -1.496146 -3.419641 -1.504505 -1.547322 3.376939 1.498405 1.556136 -3.351062 1.494016 1.501467 3.406080 -1.543493 -0.194558 -3.745619 3.758515 0.259072 -3.770498 -3.712988 -0.237339 3.742455 -3.756351 0.171752 3.760370 3.750686 3.875644 -3.761937 -0.258931 3.721006 3.767679 0.215937 -3.812965 3.783644 -0.233518 -3.725687 -3.765795 0.224505 -3.733118 0.190202 -3.736409 -3.797562 -0.186581 3.733752 3.751939 0.225589 3.765551 3.770927 -0.234090 -3.713300 0.018201 0.007275 -0.023262 -4.116401 4.087154 -1.117265 3.896122 -4.613808 0.236509 1 3 -3 0.072281 -2.521602 2.602175 Rho 0.1240647E+06 3,-3 2 3 -3 0.137458 2.551040 -2.595621 Rho 0.1240647E+06 3,-3 3 3 -3 2.550174 -2.520809 0.131936 Rho 0.1240648E+06 3,-3 4 3 -3 2.542975 2.568990 -0.079859 Rho 0.1240647E+06 3,-3 5 3 -3 2.557997 0.141164 -2.574542 Rho 0.1240647E+06 3,-3 6 3 -3 -0.087738 -2.570673 -2.535167 Rho 0.4361413E+07 3,-3 7 3 -3 -0.119635 2.551428 2.568769 Rho 0.4361414E+07 3,-3 8 3 -3 -2.513109 2.515121 0.086426 Rho 0.4361413E+07 3,-3 9 3 -3 -2.537123 -2.569458 -0.097878 Rho 0.4361414E+07 3,-3 10 3 -3 -2.525389 -0.152968 -2.566344 Rho 0.4361414E+07 3,-3 11 3 -3 -2.585797 0.112513 2.557406 Rho 0.4361414E+07 3,-3 12 3 -3 2.557217 -0.092215 2.574133 Rho 0.4361413E+07 3,-3 13 3 -3 0.990623 -0.960815 0.973853 Rho 0.3190520E+03 3,-3 14 3 -3 -0.963362 -0.992418 -0.975402 Rho 0.3190133E+03 3,-3 15 3 -3 0.981235 0.989109 -0.993568 Rho 0.3190449E+03 3,-3 16 3 -3 -0.990440 0.984631 0.944381 Rho 0.3190121E+03 3,-3 17 3 -3 -2.975892 -1.165852 1.169873 Rho 0.3188796E+03 3,-3 18 3 -3 2.990656 -1.167761 -1.088127 Rho 0.3191048E+03 3,-3 19 3 -3 -2.968660 1.137925 -1.116590 Rho 0.3189314E+03 3,-3 20 3 -3 2.995807 1.173401 1.167635 Rho 0.3189588E+03 3,-3 21 3 -3 1.164132 -1.157682 -2.959928 Rho 0.3189541E+03 3,-3 22 3 -3 1.146588 1.170146 2.999303 Rho 0.3188809E+03 3,-3 23 3 -3 -1.145767 1.138971 -2.970126 Rho 0.3189478E+03 3,-3 24 3 -3 -1.176894 -1.152226 3.044048 Rho 0.3189642E+03 3,-3 25 3 -3 -1.169319 2.988046 -1.116894 Rho 0.3189991E+03 3,-3 26 3 -3 -1.128268 -2.995001 1.163453 Rho 0.3189543E+03 3,-3 27 3 -3 1.119639 3.013212 1.151949 Rho 0.3189545E+03 3,-3 28 3 -3 1.166745 -3.002889 -1.113232 Rho 0.3189882E+03 3,-3 29 3 -3 3.413016 -1.487466 1.529153 Rho 0.3190902E+03 3,-3 30 3 -3 -3.391360 -1.520682 -1.500445 Rho 0.3189988E+03 3,-3 31 3 -3 3.399505 1.517925 -1.522386 Rho 0.3191559E+03 3,-3 32 3 -3 -3.400689 1.512661 1.486915 Rho 0.3190184E+03 3,-3 33 3 -3 1.517696 -1.494237 3.419006 Rho 0.3190702E+03 3,-3 34 3 -3 1.533046 1.521731 -3.466632 Rho 0.3191501E+03 3,-3 35 3 -3 -1.524332 1.501243 3.402747 Rho 0.3189915E+03 3,-3 36 3 -3 -1.494185 -1.534659 -3.417975 Rho 0.3190003E+03 3,-3 37 3 -3 -1.496146 -3.419641 -1.504505 Rho 0.3189990E+03 3,-3 38 3 -3 -1.547322 3.376939 1.498405 Rho 0.3190228E+03 3,-3 39 3 -3 1.556136 -3.351062 1.494016 Rho 0.3191864E+03 3,-3 40 3 -3 1.501467 3.406080 -1.543493 Rho 0.3191571E+03 3,-3 41 3 -3 -0.194558 -3.745619 3.758515 Rho 0.3196159E+03 3,-3 42 3 -3 0.259072 -3.770498 -3.712988 Rho 0.3194573E+03 3,-3 43 3 -3 -0.237339 3.742455 -3.756351 Rho 0.3196178E+03 3,-3 44 3 -3 0.171752 3.760370 3.750686 Rho 0.3194592E+03 3,-3 45 3 -3 3.875644 -3.761937 -0.258931 Rho 0.3188411E+03 3,-3 46 3 -3 3.721006 3.767679 0.215937 Rho 0.3196055E+03 3,-3 47 3 -3 -3.812965 3.783644 -0.233518 Rho 0.3186821E+03 3,-3 48 3 -3 -3.725687 -3.765795 0.224505 Rho 0.3194490E+03 3,-3 49 3 -3 -3.733118 0.190202 -3.736409 Rho 0.3194585E+03 3,-3 50 3 -3 -3.797562 -0.186581 3.733752 Rho 0.3194622E+03 3,-3 51 3 -3 3.751939 0.225589 3.765551 Rho 0.3194589E+03 3,-3 52 3 -3 3.770927 -0.234090 -3.713300 Rho 0.3196172E+03 3,-3 53 3 -3 0.018201 0.007275 -0.023262 Rho 0.4276079E+05 3,-3 54 3 -3 -4.116401 4.087154 -1.117265 Rho 0.4390886E+00 3,-3 55 3 -3 3.896122 -4.613808 0.236509 Rho 0.4416951E+00 3,-3 56 3 +3 -2.309305 -0.050761 -0.016217 Rho 0.4831031E-02 |GRAD(Rho)| 0.1493532E-14 GRAD(Rho)x 0.1259476E-14 GRAD(Rho)y -0.2794594E-15 GRAD(Rho)z -0.7525031E-15 Laplacian 0.2012374E-01 (-1/4)Del**2(Rho)) -0.5030936E-02 Diamond 0.1952749E-03 Metallicity 0.4727563E+00 Ellipticity -0.3209550E+00 Gb(Abramov) 0.3750358E-02 Vb(Abramov) -0.2469781E-02 Hb(Abramov) 0.1280577E-02 Ex_ueg -0.6031677E-03 Ec_ueg -0.1396486E-03 Delta_ex -0.7481646E-03 Delta_ec 0.1948787E-03 Delta_et -0.1225535E-02 Pxc 0.4319182E+01 Qxc -0.3839129E+01 3,+3 57 3 +1 -1.652321 -0.534238 0.522353 Rho 0.8806178E-02 |GRAD(Rho)| 0.6518670E-15 GRAD(Rho)x 0.2819064E-15 GRAD(Rho)y 0.5709379E-15 GRAD(Rho)z 0.1396039E-15 Laplacian 0.3461724E-01 (-1/4)Del**2(Rho)) -0.8654310E-02 Diamond 0.9579772E-03 Metallicity 0.7475377E+00 Ellipticity -0.1448345E+01 Gb(Abramov) 0.6847777E-02 Vb(Abramov) -0.5041244E-02 Hb(Abramov) 0.1806533E-02 Ex_ueg -0.1343079E-02 Ec_ueg -0.3142145E-03 Delta_ex -0.1591485E-02 Delta_ec 0.4880330E-03 Delta_et -0.3355315E-02 Pxc 0.4274403E+01 Qxc -0.3261019E+01 3,+1 58 3 +1 -1.168254 -1.286923 -2.171609 Rho 0.2916662E-01 |GRAD(Rho)| 0.2317380E-16 GRAD(Rho)x 0.6646171E-18 GRAD(Rho)y -0.1617240E-16 GRAD(Rho)z -0.1658423E-16 Laplacian 0.1185703E+00 (-1/4)Del**2(Rho)) -0.2964257E-01 Diamond 0.2037087E-01 Metallicity 0.1606131E+01 Ellipticity -0.6849640E+01 Gb(Abramov) 0.2769668E-01 Vb(Abramov) -0.2575080E-01 Hb(Abramov) 0.1945881E-02 Ex_ueg -0.6630810E-02 Ec_ueg -0.1300701E-02 Delta_ex -0.7791589E-02 Delta_ec 0.2200667E-02 Delta_et -0.2014078E-01 Pxc 0.5097873E+01 Qxc -0.3540557E+01 3,+1 59 3 +1 -2.866084 -0.204159 -0.171553 Rho 0.5416715E-02 |GRAD(Rho)| 0.2017455E-17 GRAD(Rho)x -0.1014117E-17 GRAD(Rho)y 0.1360936E-17 GRAD(Rho)z -0.1090662E-17 Laplacian 0.2272134E-01 (-1/4)Del**2(Rho)) -0.5680335E-02 Diamond 0.5398968E-03 Metallicity 0.5066863E+00 Ellipticity -0.2128134E+01 Gb(Abramov) 0.4266581E-02 Vb(Abramov) -0.2852828E-02 Hb(Abramov) 0.1413754E-02 Ex_ueg -0.7025863E-03 Ec_ueg -0.1648896E-03 Delta_ex -0.1105491E-02 Delta_ec 0.6407026E-03 Delta_et -0.3594085E-02 Pxc 0.4260950E+01 Qxc -0.1725435E+01 3,+1 60 3 -1 -3.242851 -0.049228 3.195235 Rho 0.2591408E+00 |GRAD(Rho)| 0.9691898E-08 GRAD(Rho)x -0.6847738E-08 GRAD(Rho)y -0.1688290E-08 GRAD(Rho)z 0.6647635E-08 Laplacian 0.9314946E+00 (-1/4)Del**2(Rho)) -0.2328737E+00 Diamond 0.3606393E+01 Metallicity 0.7792182E+01 Ellipticity 0.2818913E-02 Gb(Abramov) 0.4576814E+00 Vb(Abramov) -0.6824892E+00 Hb(Abramov) -0.2248078E+00 Ex_ueg -0.1220205E+00 Ec_ueg -0.1577229E-01 Delta_ex -0.1147986E+00 Delta_ec 0.2004651E-01 Delta_et -0.2778894E+00 Pxc 0.7736385E+01 Qxc -0.5726612E+01 3,-1 61 3 +1 -0.104276 0.094170 2.905658 Rho 0.5160131E-02 |GRAD(Rho)| 0.2074988E-12 GRAD(Rho)x -0.2963648E-13 GRAD(Rho)y -0.2009968E-12 GRAD(Rho)z -0.4216294E-13 Laplacian 0.2089274E-01 (-1/4)Del**2(Rho)) -0.5223184E-02 Diamond 0.5501201E-03 Metallicity 0.5082208E+00 Ellipticity -0.1209520E+02 Gb(Abramov) 0.3924545E-02 Vb(Abramov) -0.2625905E-02 Hb(Abramov) 0.1298640E-02 Ex_ueg -0.6585661E-03 Ec_ueg -0.1538104E-03 Delta_ex -0.1082340E-02 Delta_ec 0.7243540E-03 Delta_et -0.3944485E-02 Pxc 0.4281675E+01 Qxc -0.1494215E+01 3,+1 62 3 -1 -3.179973 0.032464 -3.200461 Rho 0.2582833E+00 |GRAD(Rho)| 0.4860522E-15 GRAD(Rho)x 0.2252972E-15 GRAD(Rho)y -0.6123032E-16 GRAD(Rho)z 0.4263083E-15 Laplacian 0.9370028E+00 (-1/4)Del**2(Rho)) -0.2342507E+00 Diamond 0.3602589E+01 Metallicity 0.7703700E+01 Ellipticity 0.3640142E-02 Gb(Abramov) 0.4569333E+00 Vb(Abramov) -0.6796160E+00 Hb(Abramov) -0.2226826E+00 Ex_ueg -0.1214824E+00 Ec_ueg -0.1571213E-01 Delta_ex -0.1153250E+00 Delta_ec 0.2009367E-01 Delta_et -0.2780857E+00 Pxc 0.7731759E+01 Qxc -0.5739371E+01 3,-1 63 3 -1 -1.750785 0.541568 1.714795 Rho 0.4323544E-01 |GRAD(Rho)| 0.4144929E-16 GRAD(Rho)x 0.1531563E-16 GRAD(Rho)y -0.8348568E-17 GRAD(Rho)z -0.3760022E-16 Laplacian 0.1751304E+00 (-1/4)Del**2(Rho)) -0.4378259E-01 Diamond 0.7165759E-01 Metallicity 0.2095647E+01 Ellipticity 0.1602803E-01 Gb(Abramov) 0.4448054E-01 Vb(Abramov) -0.4517849E-01 Hb(Abramov) -0.6979464E-03 Ex_ueg -0.1120740E-01 Ec_ueg -0.2044515E-02 Delta_ex -0.1383719E-01 Delta_ec 0.5111483E-02 Delta_et -0.5185124E-01 Pxc 0.5481691E+01 Qxc -0.2707080E+01 3,-1 64 3 +3 -0.026399 0.003786 2.313832 Rho 0.4452806E-02 |GRAD(Rho)| 0.1581787E-13 GRAD(Rho)x -0.3959028E-14 GRAD(Rho)y -0.1293641E-13 GRAD(Rho)z -0.8196356E-14 Laplacian 0.1793086E-01 (-1/4)Del**2(Rho)) -0.4482714E-02 Diamond 0.1506525E-03 Metallicity 0.4631644E+00 Ellipticity -0.2720711E+00 Gb(Abramov) 0.3334515E-02 Vb(Abramov) -0.2186316E-02 Hb(Abramov) 0.1148199E-02 Ex_ueg -0.5410409E-03 Ec_ueg -0.1234413E-03 Delta_ex -0.6474241E-03 Delta_ec 0.1637343E-03 Delta_et -0.1022645E-02 Pxc 0.4382980E+01 Qxc -0.3954113E+01 3,+3 65 3 +1 -1.641717 0.491863 -0.561435 Rho 0.9397285E-02 |GRAD(Rho)| 0.4154496E-16 GRAD(Rho)x 0.2660748E-16 GRAD(Rho)y -0.3038510E-16 GRAD(Rho)z 0.9735069E-17 Laplacian 0.3770350E-01 (-1/4)Del**2(Rho)) -0.9425876E-02 Diamond 0.1131197E-02 Metallicity 0.7648369E+00 Ellipticity -0.1442254E+01 Gb(Abramov) 0.7485460E-02 Vb(Abramov) -0.5545044E-02 Hb(Abramov) 0.1940416E-02 Ex_ueg -0.1464609E-02 Ec_ueg -0.3407925E-03 Delta_ex -0.1758705E-02 Delta_ec 0.5252075E-03 Delta_et -0.3676508E-02 Pxc 0.4297655E+01 Qxc -0.3348590E+01 3,+1 66 3 -1 -2.777687 -0.567909 1.815099 Rho 0.1441185E+00 |GRAD(Rho)| 0.2573958E-15 GRAD(Rho)x -0.7752046E-16 GRAD(Rho)y -0.1584697E-15 GRAD(Rho)z -0.1874315E-15 Laplacian 0.6108630E+00 (-1/4)Del**2(Rho)) -0.1527157E+00 Diamond 0.1178455E+01 Metallicity 0.4468919E+01 Ellipticity 0.8744050E-02 Gb(Abramov) 0.2155562E+00 Vb(Abramov) -0.2783967E+00 Hb(Abramov) -0.6284046E-01 Ex_ueg -0.5580565E-01 Ec_ueg -0.8068085E-02 Delta_ex -0.6494616E-01 Delta_ec 0.1562679E-01 Delta_et -0.2067842E+00 Pxc 0.6916840E+01 Qxc -0.4156077E+01 3,-1 67 3 -1 -3.003359 0.856713 1.979145 Rho 0.1426106E+00 |GRAD(Rho)| 0.1280211E-15 GRAD(Rho)x 0.4521123E-16 GRAD(Rho)y -0.7948557E-16 GRAD(Rho)z 0.8959576E-16 Laplacian 0.5670637E+00 (-1/4)Del**2(Rho)) -0.1417659E+00 Diamond 0.1087431E+01 Metallicity 0.4730432E+01 Ellipticity 0.4896299E-01 Gb(Abramov) 0.2062796E+00 Vb(Abramov) -0.2707933E+00 Hb(Abramov) -0.6451370E-01 Ex_ueg -0.5502846E-01 Ec_ueg -0.7972175E-02 Delta_ex -0.6021148E-01 Delta_ec 0.1468095E-01 Delta_et -0.1942635E+00 Pxc 0.6902565E+01 Qxc -0.4101335E+01 3,-1 68 3 +1 0.527129 1.672433 0.515868 Rho 0.8939566E-02 |GRAD(Rho)| 0.3089198E-17 GRAD(Rho)x 0.6575523E-18 GRAD(Rho)y -0.1194356E-17 GRAD(Rho)z 0.2772054E-17 Laplacian 0.3447127E-01 (-1/4)Del**2(Rho)) -0.8617817E-02 Diamond 0.9750383E-03 Metallicity 0.7697505E+00 Ellipticity -0.1478847E+01 Gb(Abramov) 0.6850806E-02 Vb(Abramov) -0.5083795E-02 Hb(Abramov) 0.1767011E-02 Ex_ueg -0.1370273E-02 Ec_ueg -0.3201987E-03 Delta_ex -0.1591407E-02 Delta_ec 0.4870031E-03 Delta_et -0.3360357E-02 Pxc 0.4279444E+01 Qxc -0.3267756E+01 3,+1 69 3 +1 0.216866 -2.889540 0.224405 Rho 0.5456787E-02 |GRAD(Rho)| 0.6945061E-14 GRAD(Rho)x 0.5158566E-15 GRAD(Rho)y -0.1038138E-14 GRAD(Rho)z -0.6847630E-14 Laplacian 0.2324115E-01 (-1/4)Del**2(Rho)) -0.5810288E-02 Diamond 0.5557951E-03 Metallicity 0.5014764E+00 Ellipticity -0.2029767E+01 Gb(Abramov) 0.4359146E-02 Vb(Abramov) -0.2908003E-02 Hb(Abramov) 0.1451142E-02 Ex_ueg -0.7095250E-03 Ec_ueg -0.1666229E-03 Delta_ex -0.1130854E-02 Delta_ec 0.6524688E-03 Delta_et -0.3669380E-02 Pxc 0.4258269E+01 Qxc -0.1733192E+01 3,+1 70 3 +1 -0.503325 1.665099 -0.569228 Rho 0.9160070E-02 |GRAD(Rho)| 0.1298218E-13 GRAD(Rho)x 0.4635505E-14 GRAD(Rho)y -0.9311103E-14 GRAD(Rho)z 0.7768680E-14 Laplacian 0.3650336E-01 (-1/4)Del**2(Rho)) -0.9125839E-02 Diamond 0.1080079E-02 Metallicity 0.7570275E+00 Ellipticity -0.1463595E+01 Gb(Abramov) 0.7235312E-02 Vb(Abramov) -0.5344784E-02 Hb(Abramov) 0.1890528E-02 Ex_ueg -0.1415522E-02 Ec_ueg -0.3301083E-03 Delta_ex -0.1700940E-02 Delta_ec 0.5250852E-03 Delta_et -0.3638413E-02 Pxc 0.4288055E+01 Qxc -0.3239359E+01 3,+1 71 3 +1 -0.505741 -1.660658 0.537104 Rho 0.8824615E-02 |GRAD(Rho)| 0.1986726E-14 GRAD(Rho)x 0.5028331E-15 GRAD(Rho)y 0.1310475E-14 GRAD(Rho)z -0.1406021E-14 Laplacian 0.3441195E-01 (-1/4)Del**2(Rho)) -0.8602988E-02 Diamond 0.9575832E-03 Metallicity 0.7546232E+00 Ellipticity -0.1461726E+01 Gb(Abramov) 0.6817328E-02 Vb(Abramov) -0.5031667E-02 Hb(Abramov) 0.1785660E-02 Ex_ueg -0.1346830E-02 Ec_ueg -0.3150412E-03 Delta_ex -0.1584004E-02 Delta_ec 0.4871347E-03 Delta_et -0.3349333E-02 Pxc 0.4275092E+01 Qxc -0.3251676E+01 3,+1 72 3 +3 -1.083212 1.110493 -1.121784 Rho 0.5486510E-02 |GRAD(Rho)| 0.2249367E-13 GRAD(Rho)x 0.2130695E-13 GRAD(Rho)y -0.6950653E-14 GRAD(Rho)z 0.1915069E-14 Laplacian 0.2184503E-01 (-1/4)Del**2(Rho)) -0.5461258E-02 Diamond 0.1733760E-03 Metallicity 0.5383782E+00 Ellipticity -0.2614571E+00 Gb(Abramov) 0.4130876E-02 Vb(Abramov) -0.2800493E-02 Hb(Abramov) 0.1330382E-02 Ex_ueg -0.7146828E-03 Ec_ueg -0.1679090E-03 Delta_ex -0.7745930E-03 Delta_ec 0.9639195E-04 Delta_et -0.7747042E-03 Pxc 0.4256369E+01 Qxc -0.8035869E+01 3,+3 73 3 -1 -2.743874 0.530546 -1.795082 Rho 0.1228262E+00 |GRAD(Rho)| 0.3425158E-14 GRAD(Rho)x 0.4200369E-15 GRAD(Rho)y -0.2211528E-14 GRAD(Rho)z -0.2581553E-14 Laplacian 0.5128207E+00 (-1/4)Del**2(Rho)) -0.1282052E+00 Diamond 0.8255871E+00 Metallicity 0.4078175E+01 Ellipticity 0.1147524E-01 Gb(Abramov) 0.1726106E+00 Vb(Abramov) -0.2170161E+00 Hb(Abramov) -0.4440547E-01 Ex_ueg -0.4509271E-01 Ec_ueg -0.6727435E-02 Delta_ex -0.5257303E-01 Delta_ec 0.1384576E-01 Delta_et -0.1790032E+00 Pxc 0.6702809E+01 Qxc -0.3797048E+01 3,-1 74 3 -1 -2.738312 1.773583 -0.556174 Rho 0.1612184E+00 |GRAD(Rho)| 0.2875424E-11 GRAD(Rho)x 0.6477239E-12 GRAD(Rho)y 0.2115237E-11 GRAD(Rho)z 0.1836924E-11 Laplacian 0.6793186E+00 (-1/4)Del**2(Rho)) -0.1698297E+00 Diamond 0.1487700E+01 Metallicity 0.4844294E+01 Ellipticity 0.1423598E-01 Gb(Abramov) 0.2503372E+00 Vb(Abramov) -0.3308448E+00 Hb(Abramov) -0.8050757E-01 Ex_ueg -0.6480438E-01 Ec_ueg -0.9165476E-02 Delta_ex -0.7414144E-01 Delta_ec 0.1670838E-01 Delta_et -0.2240037E+00 Pxc 0.7070488E+01 Qxc -0.4437380E+01 3,-1 75 3 +1 -2.151466 -1.290847 -1.169896 Rho 0.2963506E-01 |GRAD(Rho)| 0.1643786E-16 GRAD(Rho)x -0.1081476E-16 GRAD(Rho)y -0.1158400E-16 GRAD(Rho)z -0.4365226E-17 Laplacian 0.1220375E+00 (-1/4)Del**2(Rho)) -0.3050938E-01 Diamond 0.2182744E-01 Metallicity 0.1602493E+01 Ellipticity -0.8566978E+01 Gb(Abramov) 0.2848810E-01 Vb(Abramov) -0.2646681E-01 Hb(Abramov) 0.2021282E-02 Ex_ueg -0.6773182E-02 Ec_ueg -0.1324798E-02 Delta_ex -0.8087817E-02 Delta_ec 0.2326265E-02 Delta_et -0.2136820E-01 Pxc 0.5112614E+01 Qxc -0.3476739E+01 3,+1 76 3 -1 -2.755381 -1.818890 0.575442 Rho 0.1386503E+00 |GRAD(Rho)| 0.1092710E-11 GRAD(Rho)x 0.2289312E-12 GRAD(Rho)y -0.7960515E-12 GRAD(Rho)z -0.7126771E-12 Laplacian 0.5877981E+00 (-1/4)Del**2(Rho)) -0.1469495E+00 Diamond 0.1086613E+01 Metallicity 0.4354311E+01 Ellipticity 0.9815041E-02 Gb(Abramov) 0.2046103E+00 Vb(Abramov) -0.2622711E+00 Hb(Abramov) -0.5766081E-01 Ex_ueg -0.5300042E-01 Ec_ueg -0.7720974E-02 Delta_ex -0.6195278E-01 Delta_ec 0.1526138E-01 Delta_et -0.2009590E+00 Pxc 0.6864473E+01 Qxc -0.4059448E+01 3,-1 77 3 +3 -1.075896 -1.084783 1.138206 Rho 0.5064292E-02 |GRAD(Rho)| 0.5306416E-17 GRAD(Rho)x -0.2626315E-17 GRAD(Rho)y -0.4164800E-17 GRAD(Rho)z -0.1978626E-17 Laplacian 0.1963181E-01 (-1/4)Del**2(Rho)) -0.4907953E-02 Diamond 0.1409935E-03 Metallicity 0.5242245E+00 Ellipticity -0.9350299E-01 Gb(Abramov) 0.3700780E-02 Vb(Abramov) -0.2493607E-02 Hb(Abramov) 0.1207173E-02 Ex_ueg -0.6423080E-03 Ec_ueg -0.1496806E-03 Delta_ex -0.6820251E-03 Delta_ec 0.8888746E-04 Delta_et -0.6982813E-03 Pxc 0.4291191E+01 Qxc -0.7672905E+01 3,+3 78 3 -1 -2.967332 -0.879260 -1.985626 Rho 0.1444863E+00 |GRAD(Rho)| 0.2066941E-13 GRAD(Rho)x 0.7234542E-14 GRAD(Rho)y 0.1453922E-13 GRAD(Rho)z -0.1278659E-13 Laplacian 0.5706044E+00 (-1/4)Del**2(Rho)) -0.1426511E+00 Diamond 0.1107925E+01 Metallicity 0.4804582E+01 Ellipticity 0.3695360E-01 Gb(Abramov) 0.2093305E+00 Vb(Abramov) -0.2760100E+00 Hb(Abramov) -0.6667944E-01 Ex_ueg -0.5599558E-01 Ec_ueg -0.8091494E-02 Delta_ex -0.6074314E-01 Delta_ec 0.1465809E-01 Delta_et -0.1941914E+00 Pxc 0.6920302E+01 Qxc -0.4144000E+01 3,-1 79 3 +1 -1.722066 -1.746614 1.769532 Rho 0.1233798E-01 |GRAD(Rho)| 0.2404501E-13 GRAD(Rho)x 0.1090464E-13 GRAD(Rho)y 0.7086705E-14 GRAD(Rho)z 0.2022448E-13 Laplacian 0.6269396E-01 (-1/4)Del**2(Rho)) -0.1567349E-01 Diamond 0.2611003E-02 Metallicity 0.7240923E+00 Ellipticity -0.1241280E+01 Gb(Abramov) 0.1234050E-01 Vb(Abramov) -0.9007515E-02 Hb(Abramov) 0.3332988E-02 Ex_ueg -0.2105605E-02 Ec_ueg -0.4751935E-03 Delta_ex -0.3104729E-02 Delta_ec 0.8144072E-03 Delta_et -0.6147783E-02 Pxc 0.4431048E+01 Qxc -0.3812256E+01 3,+1 80 3 -1 -1.787103 0.534512 -2.764534 Rho 0.1422623E+00 |GRAD(Rho)| 0.1311084E-12 GRAD(Rho)x -0.1000396E-12 GRAD(Rho)y -0.8289140E-13 GRAD(Rho)z 0.1762065E-13 Laplacian 0.5981067E+00 (-1/4)Del**2(Rho)) -0.1495267E+00 Diamond 0.1136958E+01 Metallicity 0.4466674E+01 Ellipticity 0.1211301E-01 Gb(Abramov) 0.2109989E+00 Vb(Abramov) -0.2724712E+00 Hb(Abramov) -0.6147226E-01 Ex_ueg -0.5484936E-01 Ec_ueg -0.7950045E-02 Delta_ex -0.6339885E-01 Delta_ec 0.1536715E-01 Delta_et -0.2030008E+00 Pxc 0.6899251E+01 Qxc -0.4125609E+01 3,-1 81 3 -1 -2.008195 0.850178 2.987944 Rho 0.1430298E+00 |GRAD(Rho)| 0.2268174E-13 GRAD(Rho)x -0.1235408E-13 GRAD(Rho)y -0.1785064E-13 GRAD(Rho)z -0.6572122E-14 Laplacian 0.5663443E+00 (-1/4)Del**2(Rho)) -0.1415861E+00 Diamond 0.1086424E+01 Metallicity 0.4759671E+01 Ellipticity 0.3160800E-01 Gb(Abramov) 0.2067079E+00 Vb(Abramov) -0.2718297E+00 Hb(Abramov) -0.6512183E-01 Ex_ueg -0.5524426E-01 Ec_ueg -0.7998826E-02 Delta_ex -0.6014138E-01 Delta_ec 0.1458618E-01 Delta_et -0.1929539E+00 Pxc 0.6906547E+01 Qxc -0.4123177E+01 3,-1 82 3 -1 -0.876334 2.974136 1.990979 Rho 0.1341692E+00 |GRAD(Rho)| 0.1385148E-15 GRAD(Rho)x 0.1021589E-15 GRAD(Rho)y 0.5620911E-16 GRAD(Rho)z 0.7476929E-16 Laplacian 0.5339178E+00 (-1/4)Del**2(Rho)) -0.1334795E+00 Diamond 0.9529104E+00 Metallicity 0.4538302E+01 Ellipticity 0.4244590E-01 Gb(Abramov) 0.1899480E+00 Vb(Abramov) -0.2464165E+00 Hb(Abramov) -0.5646853E-01 Ex_ueg -0.5072890E-01 Ec_ueg -0.7437951E-02 Delta_ex -0.5587475E-01 Delta_ec 0.1405745E-01 Delta_et -0.1843264E+00 Pxc 0.6820278E+01 Qxc -0.3974743E+01 3,-1 83 3 +1 -0.543268 -0.526026 1.673434 Rho 0.7962059E-02 |GRAD(Rho)| 0.1070743E-15 GRAD(Rho)x 0.1059515E-15 GRAD(Rho)y 0.3423477E-17 GRAD(Rho)z -0.1508191E-16 Laplacian 0.3056343E-01 (-1/4)Del**2(Rho)) -0.7640859E-02 Diamond 0.7450233E-03 Metallicity 0.7157917E+00 Ellipticity -0.1444888E+01 Gb(Abramov) 0.6005450E-02 Vb(Abramov) -0.4370041E-02 Hb(Abramov) 0.1635409E-02 Ex_ueg -0.1174228E-02 Ec_ueg -0.2765279E-03 Delta_ex -0.1373678E-02 Delta_ec 0.4377641E-03 Delta_et -0.2926852E-02 Pxc 0.4246326E+01 Qxc -0.3137941E+01 3,+1 84 3 -1 -0.539685 1.802634 -2.774600 Rho 0.1298140E+00 |GRAD(Rho)| 0.2775624E-15 GRAD(Rho)x -0.1897354E-16 GRAD(Rho)y 0.2768781E-15 GRAD(Rho)z -0.4401183E-17 Laplacian 0.5493685E+00 (-1/4)Del**2(Rho)) -0.1373421E+00 Diamond 0.9221862E+00 Metallicity 0.4174635E+01 Ellipticity 0.1164249E-01 Gb(Abramov) 0.1871203E+00 Vb(Abramov) -0.2368984E+00 Hb(Abramov) -0.4977816E-01 Ex_ueg -0.4854528E-01 Ec_ueg -0.7164131E-02 Delta_ex -0.5679232E-01 Delta_ec 0.1414336E-01 Delta_et -0.1836622E+00 Pxc 0.6776157E+01 Qxc -0.4015475E+01 3,-1 85 3 +1 -2.163717 1.058186 1.371909 Rho 0.2967681E-01 |GRAD(Rho)| 0.8666374E-16 GRAD(Rho)x -0.7681568E-16 GRAD(Rho)y 0.1079927E-16 GRAD(Rho)z 0.3864365E-16 Laplacian 0.1189715E+00 (-1/4)Del**2(Rho)) -0.2974288E-01 Diamond 0.1852248E-01 Metallicity 0.1647652E+01 Ellipticity -0.3175379E+01 Gb(Abramov) 0.2799624E-01 Vb(Abramov) -0.2624960E-01 Hb(Abramov) 0.1746640E-02 Ex_ueg -0.6785908E-02 Ec_ueg -0.1326949E-02 Delta_ex -0.7645817E-02 Delta_ec 0.1836198E-02 Delta_et -0.1691045E-01 Pxc 0.5113919E+01 Qxc -0.4163940E+01 3,+1 86 3 +1 -1.719356 1.730215 -1.729499 Rho 0.1253705E-01 |GRAD(Rho)| 0.2060306E-16 GRAD(Rho)x -0.2938809E-17 GRAD(Rho)y -0.1552182E-16 GRAD(Rho)z -0.1322583E-16 Laplacian 0.6380421E-01 (-1/4)Del**2(Rho)) -0.1595105E-01 Diamond 0.2731306E-02 Metallicity 0.7307283E+00 Ellipticity -0.1265493E+01 Gb(Abramov) 0.1257668E-01 Vb(Abramov) -0.9202312E-02 Hb(Abramov) 0.3374370E-02 Ex_ueg -0.2151025E-02 Ec_ueg -0.4844174E-03 Delta_ex -0.3177220E-02 Delta_ec 0.8361586E-03 Delta_et -0.6331165E-02 Pxc 0.4440437E+01 Qxc -0.3799781E+01 3,+1 87 3 +1 -1.245638 -2.181435 -1.184560 Rho 0.2956959E-01 |GRAD(Rho)| 0.2162679E-14 GRAD(Rho)x -0.1159751E-14 GRAD(Rho)y -0.1812816E-14 GRAD(Rho)z 0.2141418E-15 Laplacian 0.1219963E+00 (-1/4)Del**2(Rho)) -0.3049907E-01 Diamond 0.2192569E-01 Metallicity 0.1597137E+01 Ellipticity -0.9575002E+01 Gb(Abramov) 0.2845124E-01 Vb(Abramov) -0.2640342E-01 Hb(Abramov) 0.2047825E-02 Ex_ueg -0.6753240E-02 Ec_ueg -0.1321428E-02 Delta_ex -0.8095268E-02 Delta_ec 0.2352124E-02 Delta_et -0.2159147E-01 Pxc 0.5110563E+01 Qxc -0.3441685E+01 3,+1 88 3 +1 -0.161908 -2.890298 -0.159279 Rho 0.5530944E-02 |GRAD(Rho)| 0.1270156E-13 GRAD(Rho)x -0.1247848E-13 GRAD(Rho)y 0.1919991E-14 GRAD(Rho)z 0.1389562E-14 Laplacian 0.2299004E-01 (-1/4)Del**2(Rho)) -0.5747509E-02 Diamond 0.5881426E-03 Metallicity 0.5184882E+00 Ellipticity -0.2690705E+01 Gb(Abramov) 0.4328342E-02 Vb(Abramov) -0.2909175E-02 Hb(Abramov) 0.1419167E-02 Ex_ueg -0.7224105E-03 Ec_ueg -0.1698325E-03 Delta_ex -0.1144656E-02 Delta_ec 0.6863870E-03 Delta_et -0.3857235E-02 Pxc 0.4253663E+01 Qxc -0.1667654E+01 3,+1 89 3 -1 -1.970973 -3.002389 -0.844986 Rho 0.1418255E+00 |GRAD(Rho)| 0.3023275E-15 GRAD(Rho)x -0.1859542E-15 GRAD(Rho)y 0.7972952E-16 GRAD(Rho)z 0.2246467E-15 Laplacian 0.5597055E+00 (-1/4)Del**2(Rho)) -0.1399264E+00 Diamond 0.1065208E+01 Metallicity 0.4748728E+01 Ellipticity 0.3235669E-01 Gb(Abramov) 0.2040296E+00 Vb(Abramov) -0.2681329E+00 Hb(Abramov) -0.6410326E-01 Ex_ueg -0.5462490E-01 Ec_ueg -0.7922297E-02 Delta_ex -0.5933935E-01 Delta_ec 0.1449044E-01 Delta_et -0.1915430E+00 Pxc 0.6895084E+01 Qxc -0.4095068E+01 3,-1 90 3 +1 0.548258 -0.532959 -1.645618 Rho 0.9427736E-02 |GRAD(Rho)| 0.1259872E-16 GRAD(Rho)x 0.5873138E-17 GRAD(Rho)y -0.8332955E-17 GRAD(Rho)z 0.7402419E-17 Laplacian 0.3640431E-01 (-1/4)Del**2(Rho)) -0.9101077E-02 Diamond 0.1113540E-02 Metallicity 0.7964149E+00 Ellipticity -0.1508898E+01 Gb(Abramov) 0.7275424E-02 Vb(Abramov) -0.5449770E-02 Hb(Abramov) 0.1825653E-02 Ex_ueg -0.1470940E-02 Ec_ueg -0.3421658E-03 Delta_ex -0.1706081E-02 Delta_ec 0.5188451E-03 Delta_et -0.3625625E-02 Pxc 0.4298910E+01 Qxc -0.3288228E+01 3,+1 91 3 -1 -1.783501 -2.779219 0.573154 Rho 0.1402382E+00 |GRAD(Rho)| 0.3865904E-15 GRAD(Rho)x -0.3702144E-15 GRAD(Rho)y -0.4401861E-16 GRAD(Rho)z -0.1022538E-15 Laplacian 0.5873901E+00 (-1/4)Del**2(Rho)) -0.1468475E+00 Diamond 0.1099451E+01 Metallicity 0.4440826E+01 Ellipticity 0.1207027E-01 Gb(Abramov) 0.2065857E+00 Vb(Abramov) -0.2663239E+00 Hb(Abramov) -0.5973821E-01 Ex_ueg -0.5381130E-01 Ec_ueg -0.7821577E-02 Delta_ex -0.6206663E-01 Delta_ec 0.1518211E-01 Delta_et -0.2002065E+00 Pxc 0.6879853E+01 Qxc -0.4088143E+01 3,-1 92 3 -1 -1.720224 1.718312 0.508596 Rho 0.5497137E-01 |GRAD(Rho)| 0.7430890E-16 GRAD(Rho)x -0.7199526E-16 GRAD(Rho)y -0.1455541E-16 GRAD(Rho)z -0.1125326E-16 Laplacian 0.2237356E+00 (-1/4)Del**2(Rho)) -0.5593391E-01 Diamond 0.1251829E+00 Metallicity 0.2447779E+01 Ellipticity 0.1137666E-01 Gb(Abramov) 0.6010825E-01 Vb(Abramov) -0.6428259E-01 Hb(Abramov) -0.4174340E-02 Ex_ueg -0.1543715E-01 Ec_ueg -0.2691461E-02 Delta_ex -0.1871700E-01 Delta_ec 0.6401672E-02 Delta_et -0.6908658E-01 Pxc 0.5735602E+01 Qxc -0.2923768E+01 3,-1 93 3 -1 -1.788249 2.749138 -0.558431 Rho 0.1697804E+00 |GRAD(Rho)| 0.3660826E-14 GRAD(Rho)x 0.3049725E-14 GRAD(Rho)y -0.2016426E-14 GRAD(Rho)z 0.1866725E-15 Laplacian 0.7133648E+00 (-1/4)Del**2(Rho)) -0.1783412E+00 Diamond 0.1657129E+01 Metallicity 0.5028604E+01 Ellipticity 0.1613672E-01 Gb(Abramov) 0.2683620E+00 Vb(Abramov) -0.3583828E+00 Hb(Abramov) -0.9002081E-01 Ex_ueg -0.6943341E-01 Ec_ueg -0.9721547E-02 Delta_ex -0.7882469E-01 Delta_ec 0.1723356E-01 Delta_et -0.2322350E+00 Pxc 0.7142218E+01 Qxc -0.4573906E+01 3,-1 94 3 -1 -1.984114 2.952994 0.840312 Rho 0.1537110E+00 |GRAD(Rho)| 0.9373099E-16 GRAD(Rho)x 0.2894820E-16 GRAD(Rho)y 0.7814387E-16 GRAD(Rho)z 0.4290730E-16 Laplacian 0.6001126E+00 (-1/4)Del**2(Rho)) -0.1500281E+00 Diamond 0.1247985E+01 Metallicity 0.5064720E+01 Ellipticity 0.2896492E-01 Gb(Abramov) 0.2266605E+00 Vb(Abramov) -0.3032929E+00 Hb(Abramov) -0.7663238E-01 Ex_ueg -0.6081234E-01 Ec_ueg -0.8681495E-02 Delta_ex -0.6479327E-01 Delta_ec 0.1505854E-01 Delta_et -0.2009514E+00 Pxc 0.7004824E+01 Qxc -0.4302759E+01 3,-1 95 3 -1 -1.964167 -0.888552 -3.001278 Rho 0.1500526E+00 |GRAD(Rho)| 0.6395155E-15 GRAD(Rho)x -0.1734723E-15 GRAD(Rho)y 0.5352706E-15 GRAD(Rho)z 0.3039290E-15 Laplacian 0.5895897E+00 (-1/4)Del**2(Rho)) -0.1473974E+00 Diamond 0.1200371E+01 Metallicity 0.4952251E+01 Ellipticity 0.4139150E-01 Gb(Abramov) 0.2199231E+00 Vb(Abramov) -0.2924488E+00 Hb(Abramov) -0.7252569E-01 Ex_ueg -0.5889022E-01 Ec_ueg -0.8446883E-02 Delta_ex -0.6337226E-01 Delta_ec 0.1504797E-01 Delta_et -0.2005357E+00 Pxc 0.6971829E+01 Qxc -0.4211350E+01 3,-1 96 3 +1 -0.139012 -0.159685 -2.838899 Rho 0.5473279E-02 |GRAD(Rho)| 0.2838003E-13 GRAD(Rho)x 0.2906886E-14 GRAD(Rho)y -0.2760884E-13 GRAD(Rho)z 0.5893076E-14 Laplacian 0.2229207E-01 (-1/4)Del**2(Rho)) -0.5573018E-02 Diamond 0.5753373E-03 Metallicity 0.5254629E+00 Ellipticity -0.3698513E+01 Gb(Abramov) 0.4203414E-02 Vb(Abramov) -0.2833811E-02 Hb(Abramov) 0.1369604E-02 Ex_ueg -0.7123857E-03 Ec_ueg -0.1673364E-03 Delta_ex -0.1118319E-02 Delta_ec 0.6847067E-03 Delta_et -0.3827714E-02 Pxc 0.4257206E+01 Qxc -0.1633282E+01 3,+1 97 3 -1 -1.706434 -0.562801 -1.732198 Rho 0.4831075E-01 |GRAD(Rho)| 0.3227522E-16 GRAD(Rho)x -0.1748657E-16 GRAD(Rho)y 0.1636806E-16 GRAD(Rho)z -0.2163322E-16 Laplacian 0.1986500E+00 (-1/4)Del**2(Rho)) -0.4966250E-01 Diamond 0.9503756E-01 Metallicity 0.2222956E+01 Ellipticity 0.1425099E-01 Gb(Abramov) 0.5150793E-01 Vb(Abramov) -0.5335336E-01 Hb(Abramov) -0.1845428E-02 Ex_ueg -0.1299502E-01 Ec_ueg -0.2321714E-02 Delta_ex -0.1616253E-01 Delta_ec 0.5834561E-02 Delta_et -0.6095120E-01 Pxc 0.5597166E+01 Qxc -0.2770136E+01 3,-1 98 3 -1 -1.832881 -0.559357 2.799939 Rho 0.1342766E+00 |GRAD(Rho)| 0.2007436E-14 GRAD(Rho)x 0.1821758E-14 GRAD(Rho)y 0.2196865E-16 GRAD(Rho)z 0.8429198E-15 Laplacian 0.5638962E+00 (-1/4)Del**2(Rho)) -0.1409740E+00 Diamond 0.1005447E+01 Metallicity 0.4302766E+01 Ellipticity 0.1170387E-01 Gb(Abramov) 0.1950791E+00 Vb(Abramov) -0.2491841E+00 Hb(Abramov) -0.5410504E-01 Ex_ueg -0.5078304E-01 Ec_ueg -0.7444718E-02 Delta_ex -0.5900107E-01 Delta_ec 0.1480401E-01 Delta_et -0.1940630E+00 Pxc 0.6821351E+01 Qxc -0.3985480E+01 3,-1 99 3 +3 0.015448 -0.000923 -2.323455 Rho 0.4920414E-02 |GRAD(Rho)| 0.1785755E-13 GRAD(Rho)x 0.5546742E-14 GRAD(Rho)y -0.1368568E-13 GRAD(Rho)z 0.1004131E-13 Laplacian 0.1998340E-01 (-1/4)Del**2(Rho)) -0.4995851E-02 Diamond 0.2042252E-03 Metallicity 0.4908474E+00 Ellipticity -0.3465006E+00 Gb(Abramov) 0.3739267E-02 Vb(Abramov) -0.2482684E-02 Hb(Abramov) 0.1256584E-02 Ex_ueg -0.6180931E-03 Ec_ueg -0.1434895E-03 Delta_ex -0.7515761E-03 Delta_ec 0.2027066E-03 Delta_et -0.1268331E-02 Pxc 0.4307584E+01 Qxc -0.3707705E+01 3,+3 100 3 -1 -1.712340 -1.742578 -0.528680 Rho 0.4677424E-01 |GRAD(Rho)| 0.1179443E-15 GRAD(Rho)x 0.7100000E-16 GRAD(Rho)y 0.8965420E-16 GRAD(Rho)z -0.2884422E-16 Laplacian 0.1923429E+00 (-1/4)Del**2(Rho)) -0.4808573E-01 Diamond 0.8800894E-01 Metallicity 0.2175445E+01 Ellipticity 0.1236350E-01 Gb(Abramov) 0.4949180E-01 Vb(Abramov) -0.5089787E-01 Hb(Abramov) -0.1406069E-02 Ex_ueg -0.1244688E-01 Ec_ueg -0.2237357E-02 Delta_ex -0.1552005E-01 Delta_ec 0.5646091E-02 Delta_et -0.5848371E-01 Pxc 0.5563209E+01 Qxc -0.2748814E+01 3,-1 101 3 +3 0.026070 -2.308872 0.027373 Rho 0.4780967E-02 |GRAD(Rho)| 0.3272306E-16 GRAD(Rho)x 0.1900510E-16 GRAD(Rho)y 0.2544039E-16 GRAD(Rho)z 0.7898845E-17 Laplacian 0.1973958E-01 (-1/4)Del**2(Rho)) -0.4934895E-02 Diamond 0.1854116E-03 Metallicity 0.4736616E+00 Ellipticity -0.3401928E+00 Gb(Abramov) 0.3679508E-02 Vb(Abramov) -0.2424122E-02 Hb(Abramov) 0.1255387E-02 Ex_ueg -0.5948480E-03 Ec_ueg -0.1374991E-03 Delta_ex -0.7285402E-03 Delta_ec 0.1850948E-03 Delta_et -0.1169082E-02 Pxc 0.4326195E+01 Qxc -0.3936039E+01 3,+3 102 3 +3 1.100806 1.120668 1.106760 Rho 0.5272390E-02 |GRAD(Rho)| 0.5435610E-14 GRAD(Rho)x 0.3294244E-14 GRAD(Rho)y 0.3315602E-14 GRAD(Rho)z -0.2774994E-14 Laplacian 0.2030785E-01 (-1/4)Del**2(Rho)) -0.5076963E-02 Diamond 0.1499566E-03 Metallicity 0.5419532E+00 Ellipticity -0.3926548E-01 Gb(Abramov) 0.3843221E-02 Vb(Abramov) -0.2609480E-02 Hb(Abramov) 0.1233742E-02 Ex_ueg -0.6777379E-03 Ec_ueg -0.1586536E-03 Delta_ex -0.7098398E-03 Delta_ec 0.8551150E-04 Delta_et -0.6944316E-03 Pxc 0.4271808E+01 Qxc -0.8301102E+01 3,+3 103 3 +1 1.667740 0.560946 0.523190 Rho 0.8945092E-02 |GRAD(Rho)| 0.1493685E-16 GRAD(Rho)x -0.9532297E-17 GRAD(Rho)y -0.7817926E-17 GRAD(Rho)z 0.8433560E-17 Laplacian 0.3430237E-01 (-1/4)Del**2(Rho)) -0.8575593E-02 Diamond 0.9716602E-03 Metallicity 0.7743376E+00 Ellipticity -0.1487049E+01 Gb(Abramov) 0.6823796E-02 Vb(Abramov) -0.5071999E-02 Hb(Abramov) 0.1751797E-02 Ex_ueg -0.1371402E-02 Ec_ueg -0.3204468E-03 Delta_ex -0.1584107E-02 Delta_ec 0.4850607E-03 Delta_et -0.3347131E-02 Pxc 0.4279656E+01 Qxc -0.3265792E+01 3,+1 104 3 +1 2.164370 1.387970 -1.083725 Rho 0.2835254E-01 |GRAD(Rho)| 0.1679370E-15 GRAD(Rho)x 0.9852890E-16 GRAD(Rho)y 0.1141021E-15 GRAD(Rho)z 0.7399734E-16 Laplacian 0.1156625E+00 (-1/4)Del**2(Rho)) -0.2891562E-01 Diamond 0.1847787E-01 Metallicity 0.1570631E+01 Ellipticity -0.4375795E+01 Gb(Abramov) 0.2684637E-01 Vb(Abramov) -0.2477712E-01 Hb(Abramov) 0.2069247E-02 Ex_ueg -0.6385199E-02 Ec_ueg -0.1258947E-02 Delta_ex -0.7485265E-02 Delta_ec 0.2042658E-02 Delta_et -0.1857758E-01 Pxc 0.5071858E+01 Qxc -0.3664472E+01 3,+1 105 3 +1 -0.526775 0.522747 -1.652408 Rho 0.9393765E-02 |GRAD(Rho)| 0.2984617E-13 GRAD(Rho)x 0.8782032E-14 GRAD(Rho)y 0.2594300E-13 GRAD(Rho)z -0.1185878E-13 Laplacian 0.3632511E-01 (-1/4)Del**2(Rho)) -0.9081277E-02 Diamond 0.1107022E-02 Metallicity 0.7933638E+00 Ellipticity -0.1507111E+01 Gb(Abramov) 0.7254978E-02 Vb(Abramov) -0.5428678E-02 Hb(Abramov) 0.1826300E-02 Ex_ueg -0.1463877E-02 Ec_ueg -0.3406338E-03 Delta_ex -0.1701351E-02 Delta_ec 0.5186911E-03 Delta_et -0.3620436E-02 Pxc 0.4297510E+01 Qxc -0.3280085E+01 3,+1 106 3 +3 1.130093 -1.114432 -1.095331 Rho 0.5436599E-02 |GRAD(Rho)| 0.1204609E-12 GRAD(Rho)x -0.8579440E-13 GRAD(Rho)y -0.1124336E-13 GRAD(Rho)z 0.8380780E-13 Laplacian 0.2125439E-01 (-1/4)Del**2(Rho)) -0.5313598E-02 Diamond 0.1638330E-03 Metallicity 0.5449750E+00 Ellipticity -0.1872289E+00 Gb(Abramov) 0.4025029E-02 Vb(Abramov) -0.2736459E-02 Hb(Abramov) 0.1288570E-02 Ex_ueg -0.7060272E-03 Ec_ueg -0.1657495E-03 Delta_ex -0.7494429E-03 Delta_ec 0.8970388E-04 Delta_et -0.7315104E-03 Pxc 0.4259603E+01 Qxc -0.8354631E+01 3,+3 107 3 +1 0.545524 -1.660549 -0.528080 Rho 0.9024631E-02 |GRAD(Rho)| 0.1523291E-16 GRAD(Rho)x -0.5535076E-17 GRAD(Rho)y -0.7687109E-17 GRAD(Rho)z 0.1192949E-16 Laplacian 0.3542268E-01 (-1/4)Del**2(Rho)) -0.8855669E-02 Diamond 0.1006801E-02 Metallicity 0.7609935E+00 Ellipticity -0.1451920E+01 Gb(Abramov) 0.7026964E-02 Vb(Abramov) -0.5198258E-02 Hb(Abramov) 0.1828705E-02 Ex_ueg -0.1387685E-02 Ec_ueg -0.3240191E-03 Delta_ex -0.1635816E-02 Delta_ec 0.4942796E-03 Delta_et -0.3423778E-02 Pxc 0.4282727E+01 Qxc -0.3309495E+01 3,+1 108 3 -1 -0.836549 -3.003018 -1.974241 Rho 0.1436046E+00 |GRAD(Rho)| 0.2099420E-15 GRAD(Rho)x -0.3859760E-16 GRAD(Rho)y -0.7254668E-16 GRAD(Rho)z 0.1931913E-15 Laplacian 0.5668382E+00 (-1/4)Del**2(Rho)) -0.1417095E+00 Diamond 0.1092865E+01 Metallicity 0.4787420E+01 Ellipticity 0.3562685E-01 Gb(Abramov) 0.2075435E+00 Vb(Abramov) -0.2733775E+00 Hb(Abramov) -0.6583399E-01 Ex_ueg -0.5554048E-01 Ec_ueg -0.8035384E-02 Delta_ex -0.6025536E-01 Delta_ec 0.1458915E-01 Delta_et -0.1931173E+00 Pxc 0.6911989E+01 Qxc -0.4130150E+01 3,-1 109 3 -1 -0.561225 -2.753839 1.838081 Rho 0.1337707E+00 |GRAD(Rho)| 0.2759104E-15 GRAD(Rho)x -0.1771586E-15 GRAD(Rho)y 0.1406414E-16 GRAD(Rho)z -0.2110535E-15 Laplacian 0.5647054E+00 (-1/4)Del**2(Rho)) -0.1411764E+00 Diamond 0.9814938E+00 Metallicity 0.4269654E+01 Ellipticity 0.1065071E-01 Gb(Abramov) 0.1945799E+00 Vb(Abramov) -0.2479835E+00 Hb(Abramov) -0.5340358E-01 Ex_ueg -0.5052809E-01 Ec_ueg -0.7412844E-02 Delta_ex -0.5879001E-01 Delta_ec 0.1440691E-01 Delta_et -0.1879095E+00 Pxc 0.6816290E+01 Qxc -0.4080682E+01 3,-1 110 3 -1 0.849931 -2.942292 2.011923 Rho 0.1082795E+00 |GRAD(Rho)| 0.4732124E-15 GRAD(Rho)x 0.2648232E-15 GRAD(Rho)y -0.1887596E-15 GRAD(Rho)z -0.3437565E-15 Laplacian 0.4271610E+00 (-1/4)Del**2(Rho)) -0.1067903E+00 Diamond 0.5843767E+00 Metallicity 0.3968244E+01 Ellipticity 0.4762000E-01 Gb(Abramov) 0.1418218E+00 Vb(Abramov) -0.1768534E+00 Hb(Abramov) -0.3503155E-01 Ex_ueg -0.3811652E-01 Ec_ueg -0.5829265E-02 Delta_ex -0.4240488E-01 Delta_ec 0.1169184E-01 Delta_et -0.1474755E+00 Pxc 0.6538820E+01 Qxc -0.3626879E+01 3,-1 111 3 -1 0.856676 2.982713 -2.024782 Rho 0.1418702E+00 |GRAD(Rho)| 0.1801761E-13 GRAD(Rho)x -0.9178761E-14 GRAD(Rho)y 0.5989187E-14 GRAD(Rho)z -0.1430084E-13 Laplacian 0.5539897E+00 (-1/4)Del**2(Rho)) -0.1384974E+00 Diamond 0.1041803E+01 Metallicity 0.4800248E+01 Ellipticity 0.5796163E-01 Gb(Abramov) 0.2031353E+00 Vb(Abramov) -0.2677731E+00 Hb(Abramov) -0.6463785E-01 Ex_ueg -0.5464790E-01 Ec_ueg -0.7925141E-02 Delta_ex -0.5859919E-01 Delta_ec 0.1409373E-01 Delta_et -0.1857847E+00 Pxc 0.6895512E+01 Qxc -0.4157821E+01 3,-1 112 3 +1 -1.065672 2.152395 1.387882 Rho 0.2995086E-01 |GRAD(Rho)| 0.6032385E-16 GRAD(Rho)x -0.8931814E-17 GRAD(Rho)y 0.5965754E-16 GRAD(Rho)z 0.4087712E-18 Laplacian 0.1198947E+00 (-1/4)Del**2(Rho)) -0.2997368E-01 Diamond 0.1849017E-01 Metallicity 0.1660206E+01 Ellipticity -0.2954383E+01 Gb(Abramov) 0.2827620E-01 Vb(Abramov) -0.2657872E-01 Hb(Abramov) 0.1697478E-02 Ex_ueg -0.6869590E-02 Ec_ueg -0.1341073E-02 Delta_ex -0.7689170E-02 Delta_ec 0.1787271E-02 Delta_et -0.1650062E-01 Pxc 0.5122459E+01 Qxc -0.4302185E+01 3,+1 113 3 -1 -0.866719 1.980786 2.992883 Rho 0.1428672E+00 |GRAD(Rho)| 0.3193010E-12 GRAD(Rho)x -0.2313003E-12 GRAD(Rho)y -0.1759675E-12 GRAD(Rho)z 0.1322450E-12 Laplacian 0.5649635E+00 (-1/4)Del**2(Rho)) -0.1412409E+00 Diamond 0.1082532E+01 Metallicity 0.4762265E+01 Ellipticity 0.3181853E-01 Gb(Abramov) 0.2062650E+00 Vb(Abramov) -0.2712891E+00 Hb(Abramov) -0.6502412E-01 Ex_ueg -0.5516052E-01 Ec_ueg -0.7988486E-02 Delta_ex -0.5998062E-01 Delta_ec 0.1455918E-01 Delta_et -0.1925739E+00 Pxc 0.6905003E+01 Qxc -0.4119781E+01 3,-1 114 3 +1 -1.264672 1.197950 2.148424 Rho 0.2813482E-01 |GRAD(Rho)| 0.3158135E-16 GRAD(Rho)x -0.5656718E-17 GRAD(Rho)y -0.9543762E-17 GRAD(Rho)z -0.2956856E-16 Laplacian 0.1147592E+00 (-1/4)Del**2(Rho)) -0.2868979E-01 Diamond 0.1948350E-01 Metallicity 0.1562785E+01 Ellipticity -0.1001602E+02 Gb(Abramov) 0.2659919E-01 Vb(Abramov) -0.2450859E-01 Hb(Abramov) 0.2090600E-02 Ex_ueg -0.6319905E-02 Ec_ueg -0.1247807E-02 Delta_ex -0.7536150E-02 Delta_ec 0.2249250E-02 Delta_et -0.2038764E-01 Pxc 0.5064812E+01 Qxc -0.3350517E+01 3,+1 115 3 -1 -0.548500 2.762459 -1.816470 Rho 0.1076921E+00 |GRAD(Rho)| 0.3791803E-12 GRAD(Rho)x -0.2276756E-12 GRAD(Rho)y 0.4211175E-13 GRAD(Rho)z 0.3002801E-12 Laplacian 0.4460179E+00 (-1/4)Del**2(Rho)) -0.1115045E+00 Diamond 0.6062463E+00 Metallicity 0.3766174E+01 Ellipticity 0.2313150E-01 Gb(Abramov) 0.1443272E+00 Vb(Abramov) -0.1771499E+00 Hb(Abramov) -0.3282272E-01 Ex_ueg -0.3784107E-01 Ec_ueg -0.5793321E-02 Delta_ex -0.4422109E-01 Delta_ec 0.1222458E-01 Delta_et -0.1540394E+00 Pxc 0.6531844E+01 Qxc -0.3617393E+01 3,-1 116 3 -1 -0.834488 -2.007583 -2.985013 Rho 0.1375789E+00 |GRAD(Rho)| 0.1875537E-15 GRAD(Rho)x 0.1406481E-15 GRAD(Rho)y 0.1220812E-15 GRAD(Rho)z 0.2215161E-16 Laplacian 0.5420100E+00 (-1/4)Del**2(Rho)) -0.1355025E+00 Diamond 0.9948376E+00 Metallicity 0.4661499E+01 Ellipticity 0.2959943E-01 Gb(Abramov) 0.1956091E+00 Vb(Abramov) -0.2557157E+00 Hb(Abramov) -0.6010662E-01 Ex_ueg -0.5245507E-01 Ec_ueg -0.7653190E-02 Delta_ex -0.5704344E-01 Delta_ec 0.1414219E-01 Delta_et -0.1860872E+00 Pxc 0.6854014E+01 Qxc -0.4033564E+01 3,-1 117 3 -1 -0.516949 -1.743000 -1.717482 Rho 0.4794868E-01 |GRAD(Rho)| 0.3876184E-16 GRAD(Rho)x 0.2107418E-16 GRAD(Rho)y 0.2098228E-16 GRAD(Rho)z -0.2486169E-16 Laplacian 0.1969744E+00 (-1/4)Del**2(Rho)) -0.4924359E-01 Diamond 0.9331497E-01 Metallicity 0.2213933E+01 Ellipticity 0.1422941E-01 Gb(Abramov) 0.5099940E-01 Vb(Abramov) -0.5275521E-01 Hb(Abramov) -0.1755809E-02 Ex_ueg -0.1286532E-01 Ec_ueg -0.2301802E-02 Delta_ex -0.1599760E-01 Delta_ec 0.5788774E-02 Delta_et -0.6035477E-01 Pxc 0.5589238E+01 Qxc -0.2763556E+01 3,-1 118 3 +1 2.178105 -1.146901 1.292961 Rho 0.2913919E-01 |GRAD(Rho)| 0.4252115E-15 GRAD(Rho)x 0.2715542E-15 GRAD(Rho)y 0.1329492E-15 GRAD(Rho)z 0.2989776E-15 Laplacian 0.1198836E+00 (-1/4)Del**2(Rho)) -0.2997089E-01 Diamond 0.2099818E-01 Metallicity 0.1586047E+01 Ellipticity -0.7877412E+01 Gb(Abramov) 0.2790313E-01 Vb(Abramov) -0.2583537E-01 Hb(Abramov) 0.2067758E-02 Ex_ueg -0.6622496E-02 Ec_ueg -0.1299292E-02 Delta_ex -0.7913841E-02 Delta_ec 0.2292751E-02 Delta_et -0.2097162E-01 Pxc 0.5097005E+01 Qxc -0.3451679E+01 3,+1 119 3 -1 -0.589360 -1.794317 2.817406 Rho 0.1429049E+00 |GRAD(Rho)| 0.3530263E-15 GRAD(Rho)x -0.3433262E-15 GRAD(Rho)y 0.6903657E-16 GRAD(Rho)z 0.4459459E-16 Laplacian 0.6033374E+00 (-1/4)Del**2(Rho)) -0.1508344E+00 Diamond 0.1136442E+01 Metallicity 0.4461333E+01 Ellipticity 0.1868644E-01 Gb(Abramov) 0.2127100E+00 Vb(Abramov) -0.2745855E+00 Hb(Abramov) -0.6187560E-01 Ex_ueg -0.5517993E-01 Ec_ueg -0.7990882E-02 Delta_ex -0.6384642E-01 Delta_ec 0.1516791E-01 Delta_et -0.1998217E+00 Pxc 0.6905361E+01 Qxc -0.4209311E+01 3,-1 120 3 +1 0.228694 2.899181 -0.246215 Rho 0.5378060E-02 |GRAD(Rho)| 0.4212898E-17 GRAD(Rho)x -0.1179399E-17 GRAD(Rho)y -0.2586865E-17 GRAD(Rho)z 0.3108965E-17 Laplacian 0.2293324E-01 (-1/4)Del**2(Rho)) -0.5733310E-02 Diamond 0.4871792E-03 Metallicity 0.4960481E+00 Ellipticity -0.1643560E+01 Gb(Abramov) 0.4296206E-02 Vb(Abramov) -0.2859103E-02 Hb(Abramov) 0.1437104E-02 Ex_ueg -0.6959092E-03 Ec_ueg -0.1632184E-03 Delta_ex -0.1069928E-02 Delta_ec 0.5676634E-03 Delta_et -0.3212979E-02 Pxc 0.4263670E+01 Qxc -0.1884792E+01 3,+1 121 3 +3 0.035524 2.321347 -0.044372 Rho 0.4839371E-02 |GRAD(Rho)| 0.6223061E-14 GRAD(Rho)x -0.3160593E-14 GRAD(Rho)y -0.4612908E-14 GRAD(Rho)z 0.2730974E-14 Laplacian 0.2002692E-01 (-1/4)Del**2(Rho)) -0.5006730E-02 Diamond 0.1936017E-03 Metallicity 0.4764097E+00 Ellipticity -0.4843308E+00 Gb(Abramov) 0.3735362E-02 Vb(Abramov) -0.2463995E-02 Hb(Abramov) 0.1271368E-02 Ex_ueg -0.6045566E-03 Ec_ueg -0.1400068E-03 Delta_ex -0.7437390E-03 Delta_ec 0.1918817E-03 Delta_et -0.1209909E-02 Pxc 0.4318050E+01 Qxc -0.3876028E+01 3,+3 122 3 -1 0.548611 1.734781 -1.758085 Rho 0.4474666E-01 |GRAD(Rho)| 0.1974945E-14 GRAD(Rho)x 0.9014990E-15 GRAD(Rho)y 0.4242890E-15 GRAD(Rho)z -0.1705194E-14 Laplacian 0.1909689E+00 (-1/4)Del**2(Rho)) -0.4774223E-01 Diamond 0.8532059E-01 Metallicity 0.2035096E+01 Ellipticity 0.2344545E-01 Gb(Abramov) 0.4802149E-01 Vb(Abramov) -0.4830075E-01 Hb(Abramov) -0.2792575E-03 Ex_ueg -0.1173273E-01 Ec_ueg -0.2126615E-02 Delta_ex -0.1539121E-01 Delta_ec 0.5879757E-02 Delta_et -0.6025071E-01 Pxc 0.5517093E+01 Qxc -0.2617662E+01 3,-1 123 3 +1 0.225171 0.208733 -2.831190 Rho 0.5361480E-02 |GRAD(Rho)| 0.5205274E-12 GRAD(Rho)x -0.5995681E-13 GRAD(Rho)y 0.5079249E-12 GRAD(Rho)z -0.9677946E-13 Laplacian 0.2225882E-01 (-1/4)Del**2(Rho)) -0.5564705E-02 Diamond 0.4933412E-03 Metallicity 0.5084546E+00 Ellipticity -0.1888024E+01 Gb(Abramov) 0.4181370E-02 Vb(Abramov) -0.2798035E-02 Hb(Abramov) 0.1383335E-02 Ex_ueg -0.6930502E-03 Ec_ueg -0.1625018E-03 Delta_ex -0.1056783E-02 Delta_ec 0.5848839E-03 Delta_et -0.3290170E-02 Pxc 0.4264877E+01 Qxc -0.1806825E+01 3,+1 124 3 -1 -0.036687 -0.055962 -2.845324 Rho 0.5483229E-02 |GRAD(Rho)| 0.1311452E-13 GRAD(Rho)x -0.8814462E-14 GRAD(Rho)y -0.8805480E-14 GRAD(Rho)z -0.4093836E-14 Laplacian 0.2190307E-01 (-1/4)Del**2(Rho)) -0.5475769E-02 Diamond 0.6491024E-03 Metallicity 0.5364165E+00 Ellipticity 0.3187718E+01 Gb(Abramov) 0.4140061E-02 Vb(Abramov) -0.2804354E-02 Hb(Abramov) 0.1335707E-02 Ex_ueg -0.7141130E-03 Ec_ueg -0.1677670E-03 Delta_ex -0.1166873E-02 Delta_ec 0.7935871E-03 Delta_et -0.4389280E-02 Pxc 0.4256575E+01 Qxc -0.1470379E+01 3,-1 125 3 -1 -0.467828 0.478090 0.440799 Rho 0.1829437E+00 |GRAD(Rho)| 0.6887304E-14 GRAD(Rho)x 0.3937822E-14 GRAD(Rho)y -0.4055783E-14 GRAD(Rho)z -0.3934353E-14 Laplacian 0.4972625E+00 (-1/4)Del**2(Rho)) -0.1243156E+00 Diamond 0.1308743E+01 Metallicity 0.8170021E+01 Ellipticity 0.7651623E-02 Gb(Abramov) 0.2521540E+00 Vb(Abramov) -0.3799923E+00 Hb(Abramov) -0.1278383E+00 Ex_ueg -0.7670229E-01 Ec_ueg -0.1058478E-01 Delta_ex -0.5633486E-01 Delta_ec 0.1239607E-01 Delta_et -0.1702655E+00 Pxc 0.7246467E+01 Qxc -0.4544573E+01 3,-1 126 3 +1 0.521039 0.558903 1.645398 Rho 0.8656743E-02 |GRAD(Rho)| 0.2581312E-15 GRAD(Rho)x 0.1445807E-15 GRAD(Rho)y 0.1735868E-15 GRAD(Rho)z 0.1248830E-15 Laplacian 0.3342066E-01 (-1/4)Del**2(Rho)) -0.8355166E-02 Diamond 0.9009941E-03 Metallicity 0.7525273E+00 Ellipticity -0.1458202E+01 Gb(Abramov) 0.6618026E-02 Vb(Abramov) -0.4880886E-02 Hb(Abramov) 0.1737140E-02 Ex_ueg -0.1312777E-02 Ec_ueg -0.3075197E-03 Delta_ex -0.1528688E-02 Delta_ec 0.4691362E-03 Delta_et -0.3212881E-02 Pxc 0.4268922E+01 Qxc -0.3258518E+01 3,+1 127 3 -1 -0.454394 -0.474001 -0.481979 Rho 0.1875263E+00 |GRAD(Rho)| 0.2856979E-15 GRAD(Rho)x -0.8326673E-16 GRAD(Rho)y 0.2289835E-15 GRAD(Rho)z 0.1491862E-15 Laplacian 0.5245188E+00 (-1/4)Del**2(Rho)) -0.1311297E+00 Diamond 0.1418594E+01 Metallicity 0.8071528E+01 Ellipticity 0.7424760E-03 Gb(Abramov) 0.2638226E+00 Vb(Abramov) -0.3965156E+00 Hb(Abramov) -0.1326929E+00 Ex_ueg -0.7927471E-01 Ec_ueg -0.1088764E-01 Delta_ex -0.5976688E-01 Delta_ec 0.1294468E-01 Delta_et -0.1781416E+00 Pxc 0.7281165E+01 Qxc -0.4617100E+01 3,-1 128 3 -1 -0.066449 0.056697 2.905953 Rho 0.5160502E-02 |GRAD(Rho)| 0.2658424E-13 GRAD(Rho)x -0.1803299E-13 GRAD(Rho)y 0.1792544E-13 GRAD(Rho)z 0.7759652E-14 Laplacian 0.2078136E-01 (-1/4)Del**2(Rho)) -0.5195340E-02 Diamond 0.5681760E-03 Metallicity 0.5110058E+00 Ellipticity 0.1243752E+02 Gb(Abramov) 0.3906035E-02 Vb(Abramov) -0.2616729E-02 Hb(Abramov) 0.1289305E-02 Ex_ueg -0.6586292E-03 Ec_ueg -0.1538264E-03 Delta_ex -0.1095223E-02 Delta_ec 0.7537694E-03 Delta_et -0.4092581E-02 Pxc 0.4281640E+01 Qxc -0.1452995E+01 3,-1 129 3 +1 0.136742 -0.145063 2.900833 Rho 0.5124617E-02 |GRAD(Rho)| 0.9583171E-13 GRAD(Rho)x 0.6504242E-13 GRAD(Rho)y -0.6174879E-13 GRAD(Rho)z 0.3376813E-13 Laplacian 0.2109963E-01 (-1/4)Del**2(Rho)) -0.5274907E-02 Diamond 0.5042828E-03 Metallicity 0.4974783E+00 Ellipticity -0.2939653E+01 Gb(Abramov) 0.3953963E-02 Vb(Abramov) -0.2633020E-02 Hb(Abramov) 0.1320944E-02 Ex_ueg -0.6525297E-03 Ec_ueg -0.1522795E-03 Delta_ex -0.1050175E-02 Delta_ec 0.6574818E-03 Delta_et -0.3599961E-02 Pxc 0.4285079E+01 Qxc -0.1597268E+01 3,+1 130 3 +1 1.729877 1.761006 1.736092 Rho 0.1227464E-01 |GRAD(Rho)| 0.1746855E-13 GRAD(Rho)x -0.8774740E-14 GRAD(Rho)y -0.4582404E-14 GRAD(Rho)z 0.1439291E-13 Laplacian 0.6230574E-01 (-1/4)Del**2(Rho)) -0.1557644E-01 Diamond 0.2577084E-02 Metallicity 0.7223814E+00 Ellipticity -0.1242812E+01 Gb(Abramov) 0.1225964E-01 Vb(Abramov) -0.8942854E-02 Hb(Abramov) 0.3316790E-02 Ex_ueg -0.2091206E-02 Ec_ueg -0.4722623E-03 Delta_ex -0.3081451E-02 Delta_ec 0.8096170E-03 Delta_et -0.6103760E-02 Pxc 0.4428061E+01 Qxc -0.3806061E+01 3,+1 131 3 -1 1.736749 -0.517416 1.735269 Rho 0.4609947E-01 |GRAD(Rho)| 0.9213475E-17 GRAD(Rho)x -0.5567971E-17 GRAD(Rho)y 0.5113326E-17 GRAD(Rho)z -0.5266851E-17 Laplacian 0.1877898E+00 (-1/4)Del**2(Rho)) -0.4694746E-01 Diamond 0.8440139E-01 Metallicity 0.2174875E+01 Ellipticity 0.1377749E-01 Gb(Abramov) 0.4831578E-01 Vb(Abramov) -0.4968411E-01 Hb(Abramov) -0.1368326E-02 Ex_ueg -0.1220805E-01 Ec_ueg -0.2200429E-02 Delta_ex -0.1510499E-01 Delta_ec 0.5526487E-02 Delta_et -0.5702945E-01 Pxc 0.5548032E+01 Qxc -0.2733199E+01 3,-1 132 3 +1 1.372198 2.174091 -1.094414 Rho 0.2825242E-01 |GRAD(Rho)| 0.3854486E-13 GRAD(Rho)x 0.2764756E-13 GRAD(Rho)y 0.1969698E-13 GRAD(Rho)z 0.1825780E-13 Laplacian 0.1152860E+00 (-1/4)Del**2(Rho)) -0.2882151E-01 Diamond 0.1839081E-01 Metallicity 0.1566496E+01 Ellipticity -0.4446472E+01 Gb(Abramov) 0.2673913E-01 Vb(Abramov) -0.2465676E-01 Hb(Abramov) 0.2082375E-02 Ex_ueg -0.6355151E-02 Ec_ueg -0.1253822E-02 Delta_ex -0.7459614E-02 Delta_ec 0.2046315E-02 Delta_et -0.1859347E-01 Pxc 0.5068622E+01 Qxc -0.3645389E+01 3,+1 133 3 -1 0.487485 -0.458557 0.456569 Rho 0.1870678E+00 |GRAD(Rho)| 0.1226320E-13 GRAD(Rho)x -0.7032569E-14 GRAD(Rho)y 0.7448903E-14 GRAD(Rho)z -0.6741135E-14 Laplacian 0.5127749E+00 (-1/4)Del**2(Rho)) -0.1281937E+00 Diamond 0.1383255E+01 Metallicity 0.8222771E+01 Ellipticity 0.5335443E-02 Gb(Abramov) 0.2611471E+00 Vb(Abramov) -0.3941005E+00 Hb(Abramov) -0.1329534E+00 Ex_ueg -0.7901639E-01 Ec_ueg -0.1085729E-01 Delta_ex -0.5839641E-01 Delta_ec 0.1266956E-01 Delta_et -0.1743301E+00 Pxc 0.7277729E+01 Qxc -0.4609191E+01 3,-1 134 3 -1 0.481990 0.480427 -0.492145 Rho 0.1923446E+00 |GRAD(Rho)| 0.3559524E-15 GRAD(Rho)x 0.2983724E-15 GRAD(Rho)y 0.9367507E-16 GRAD(Rho)z -0.1700029E-15 Laplacian 0.5445369E+00 (-1/4)Del**2(Rho)) -0.1361342E+00 Diamond 0.1511978E+01 Metallicity 0.8110593E+01 Ellipticity 0.1222543E-02 Gb(Abramov) 0.2747777E+00 Vb(Abramov) -0.4134212E+00 Hb(Abramov) -0.1386435E+00 Ex_ueg -0.8200214E-01 Ec_ueg -0.1120736E-01 Delta_ex -0.6240060E-01 Delta_ec 0.1326813E-01 Delta_et -0.1828172E+00 Pxc 0.7316812E+01 Qxc -0.4703046E+01 3,-1 135 3 +1 1.670987 -0.504450 -0.553187 Rho 0.9136335E-02 |GRAD(Rho)| 0.3367468E-14 GRAD(Rho)x -0.2426714E-14 GRAD(Rho)y 0.1522613E-14 GRAD(Rho)z 0.1769902E-14 Laplacian 0.3568743E-01 (-1/4)Del**2(Rho)) -0.8921858E-02 Diamond 0.1063064E-02 Metallicity 0.7709943E+00 Ellipticity -0.1499767E+01 Gb(Abramov) 0.7094356E-02 Vb(Abramov) -0.5266854E-02 Hb(Abramov) 0.1827502E-02 Ex_ueg -0.1410634E-02 Ec_ueg -0.3290406E-03 Delta_ex -0.1666339E-02 Delta_ec 0.5214056E-03 Delta_et -0.3604223E-02 Pxc 0.4287113E+01 Qxc -0.3195860E+01 3,+1 136 3 +1 1.006885 -2.131967 1.467454 Rho 0.2742713E-01 |GRAD(Rho)| 0.1105514E-15 GRAD(Rho)x -0.1489853E-17 GRAD(Rho)y -0.1015844E-15 GRAD(Rho)z 0.4358894E-16 Laplacian 0.1116771E+00 (-1/4)Del**2(Rho)) -0.2791927E-01 Diamond 0.1435808E-01 Metallicity 0.1539157E+01 Ellipticity -0.2222034E+01 Gb(Abramov) 0.2577487E-01 Vb(Abramov) -0.2363048E-01 Hb(Abramov) 0.2144399E-02 Ex_ueg -0.6108842E-02 Ec_ueg -0.1211676E-02 Delta_ex -0.6905659E-02 Delta_ec 0.1511901E-02 Delta_et -0.1371187E-01 Pxc 0.5041646E+01 Qxc -0.4567533E+01 3,+1 137 3 -1 -0.012524 -2.897049 -0.008466 Rho 0.5564564E-02 |GRAD(Rho)| 0.3723264E-15 GRAD(Rho)x -0.2387357E-15 GRAD(Rho)y 0.1198146E-15 GRAD(Rho)z -0.2593775E-15 Laplacian 0.2251769E-01 (-1/4)Del**2(Rho)) -0.5629424E-02 Diamond 0.7123528E-03 Metallicity 0.5347382E+00 Ellipticity 0.2178599E+01 Gb(Abramov) 0.4254660E-02 Vb(Abramov) -0.2879897E-02 Hb(Abramov) 0.1374763E-02 Ex_ueg -0.7282715E-03 Ec_ueg -0.1712886E-03 Delta_ex -0.1228431E-02 Delta_ec 0.8614234E-03 Delta_et -0.4770042E-02 Pxc 0.4251721E+01 Qxc -0.1426047E+01 3,-1 138 3 +1 1.226445 1.249685 -2.205851 Rho 0.2681238E-01 |GRAD(Rho)| 0.6508403E-16 GRAD(Rho)x -0.1664284E-16 GRAD(Rho)y -0.1857864E-16 GRAD(Rho)z 0.6011474E-16 Laplacian 0.1084651E+00 (-1/4)Del**2(Rho)) -0.2711627E-01 Diamond 0.1732913E-01 Metallicity 0.1525980E+01 Ellipticity -0.9818585E+01 Gb(Abramov) 0.2497399E-01 Vb(Abramov) -0.2283172E-01 Hb(Abramov) 0.2142277E-02 Ex_ueg -0.5926962E-02 Ec_ueg -0.1180390E-02 Delta_ex -0.7042479E-02 Delta_ec 0.2142230E-02 Delta_et -0.1918001E-01 Pxc 0.5021188E+01 Qxc -0.3287452E+01 3,+1 139 3 -1 0.873720 1.995117 -3.035244 Rho 0.1353925E+00 |GRAD(Rho)| 0.3273138E-15 GRAD(Rho)x -0.2082346E-15 GRAD(Rho)y -0.2491971E-15 GRAD(Rho)z -0.4090830E-16 Laplacian 0.5269394E+00 (-1/4)Del**2(Rho)) -0.1317348E+00 Diamond 0.9401565E+00 Metallicity 0.4668494E+01 Ellipticity 0.5069024E-01 Gb(Abramov) 0.1903238E+00 Vb(Abramov) -0.2489127E+00 Hb(Abramov) -0.5858893E-01 Ex_ueg -0.5134653E-01 Ec_ueg -0.7515086E-02 Delta_ex -0.5514443E-01 Delta_ec 0.1362719E-01 Delta_et -0.1785178E+00 Pxc 0.6832461E+01 Qxc -0.4046648E+01 3,-1 140 3 -1 0.554534 1.812129 2.782772 Rho 0.1454622E+00 |GRAD(Rho)| 0.4136110E-15 GRAD(Rho)x 0.2470219E-15 GRAD(Rho)y 0.3260738E-15 GRAD(Rho)z 0.6107446E-16 Laplacian 0.6160634E+00 (-1/4)Del**2(Rho)) -0.1540158E+00 Diamond 0.1204591E+01 Metallicity 0.4500265E+01 Ellipticity 0.7518796E-02 Gb(Abramov) 0.2181959E+00 Vb(Abramov) -0.2823760E+00 Hb(Abramov) -0.6418007E-01 Ex_ueg -0.5650046E-01 Ec_ueg -0.8153666E-02 Delta_ex -0.6567686E-01 Delta_ec 0.1577541E-01 Delta_et -0.2091453E+00 Pxc 0.6929455E+01 Qxc -0.4163242E+01 3,-1 141 3 -1 0.835952 -1.966861 3.010252 Rho 0.1313554E+00 |GRAD(Rho)| 0.1667138E-13 GRAD(Rho)x 0.8264643E-14 GRAD(Rho)y 0.1339573E-13 GRAD(Rho)z -0.5494073E-14 Laplacian 0.5167408E+00 (-1/4)Del**2(Rho)) -0.1291852E+00 Diamond 0.8850937E+00 Metallicity 0.4526405E+01 Ellipticity 0.4597289E-01 Gb(Abramov) 0.1835809E+00 Vb(Abramov) -0.2379766E+00 Hb(Abramov) -0.5439569E-01 Ex_ueg -0.4931535E-01 Ec_ueg -0.7260898E-02 Delta_ex -0.5363523E-01 Delta_ec 0.1337776E-01 Delta_et -0.1742597E+00 Pxc 0.6791908E+01 Qxc -0.4009285E+01 3,-1 142 3 +1 1.751688 -1.738666 -1.705892 Rho 0.1228880E-01 |GRAD(Rho)| 0.3406238E-16 GRAD(Rho)x 0.1001281E-16 GRAD(Rho)y 0.2182593E-16 GRAD(Rho)z -0.2415820E-16 Laplacian 0.6227928E-01 (-1/4)Del**2(Rho)) -0.1556982E-01 Diamond 0.2592686E-02 Metallicity 0.7240784E+00 Ellipticity -0.1256716E+01 Gb(Abramov) 0.1225884E-01 Vb(Abramov) -0.8947863E-02 Hb(Abramov) 0.3310978E-02 Ex_ueg -0.2094424E-02 Ec_ueg -0.4729175E-03 Delta_ex -0.3084614E-02 Delta_ec 0.8155802E-03 Delta_et -0.6145668E-02 Pxc 0.4428729E+01 Qxc -0.3782109E+01 3,+1 143 3 +1 1.069884 -1.362132 2.168297 Rho 0.2752385E-01 |GRAD(Rho)| 0.5894084E-14 GRAD(Rho)x -0.2815747E-14 GRAD(Rho)y -0.4171764E-14 GRAD(Rho)z 0.3067277E-14 Laplacian 0.1105888E+00 (-1/4)Del**2(Rho)) -0.2764721E-01 Diamond 0.1654135E-01 Metallicity 0.1563449E+01 Ellipticity -0.3759048E+01 Gb(Abramov) 0.2563564E-01 Vb(Abramov) -0.2362407E-01 Hb(Abramov) 0.2011569E-02 Ex_ueg -0.6137581E-02 Ec_ueg -0.1216607E-02 Delta_ex -0.7060347E-02 Delta_ec 0.1881581E-02 Delta_et -0.1700044E-01 Pxc 0.5044836E+01 Qxc -0.3752348E+01 3,+1 144 3 -1 1.734396 0.554188 -1.747537 Rho 0.4512186E-01 |GRAD(Rho)| 0.1348811E-14 GRAD(Rho)x -0.6712910E-15 GRAD(Rho)y 0.1013857E-14 GRAD(Rho)z -0.5837427E-15 Laplacian 0.1923112E+00 (-1/4)Del**2(Rho)) -0.4807781E-01 Diamond 0.8682696E-01 Metallicity 0.2049212E+01 Ellipticity 0.2196284E-01 Gb(Abramov) 0.4847214E-01 Vb(Abramov) -0.4886647E-01 Hb(Abramov) -0.3943322E-03 Ex_ueg -0.1186409E-01 Ec_ueg -0.2147057E-02 Delta_ex -0.1552790E-01 Delta_ec 0.5914231E-02 Delta_et -0.6073825E-01 Pxc 0.5525744E+01 Qxc -0.2625514E+01 3,-1 145 3 -1 1.803469 0.579062 2.784903 Rho 0.1390477E+00 |GRAD(Rho)| 0.6060969E-15 GRAD(Rho)x 0.5226668E-15 GRAD(Rho)y -0.3021671E-15 GRAD(Rho)z -0.5355281E-16 Laplacian 0.5901978E+00 (-1/4)Del**2(Rho)) -0.1475494E+00 Diamond 0.1095419E+01 Metallicity 0.4357344E+01 Ellipticity 0.8066845E-02 Gb(Abramov) 0.2055202E+00 Vb(Abramov) -0.2634910E+00 Hb(Abramov) -0.5797080E-01 Ex_ueg -0.5320308E-01 Ec_ueg -0.7746138E-02 Delta_ex -0.6225574E-01 Delta_ec 0.1532508E-01 Delta_et -0.2019109E+00 Pxc 0.6868336E+01 Qxc -0.4062343E+01 3,-1 146 3 -1 2.004075 0.869801 -3.025750 Rho 0.1365873E+00 |GRAD(Rho)| 0.5872274E-15 GRAD(Rho)x -0.6391372E-16 GRAD(Rho)y 0.5837344E-15 GRAD(Rho)z -0.2263272E-17 Laplacian 0.5309800E+00 (-1/4)Del**2(Rho)) -0.1327450E+00 Diamond 0.9575652E+00 Metallicity 0.4701309E+01 Ellipticity 0.5009738E-01 Gb(Abramov) 0.1925092E+00 Vb(Abramov) -0.2522734E+00 Hb(Abramov) -0.5976420E-01 Ex_ueg -0.5195157E-01 Ec_ueg -0.7590516E-02 Delta_ex -0.5568765E-01 Delta_ec 0.1370543E-01 Delta_et -0.1797919E+00 Pxc 0.6844274E+01 Qxc -0.4063181E+01 3,-1 147 3 -1 2.995991 -0.834121 2.008572 Rho 0.1426279E+00 |GRAD(Rho)| 0.8654270E-16 GRAD(Rho)x 0.1372871E-16 GRAD(Rho)y -0.2574980E-17 GRAD(Rho)z 0.8540803E-16 Laplacian 0.5679249E+00 (-1/4)Del**2(Rho)) -0.1419812E+00 Diamond 0.1090443E+01 Metallicity 0.4724218E+01 Ellipticity 0.5273448E-01 Gb(Abramov) 0.2064459E+00 Vb(Abramov) -0.2709105E+00 Hb(Abramov) -0.6446464E-01 Ex_ueg -0.5503740E-01 Ec_ueg -0.7973279E-02 Delta_ex -0.6031751E-01 Delta_ec 0.1472565E-01 Delta_et -0.1949071E+00 Pxc 0.6902731E+01 Qxc -0.4096086E+01 3,-1 148 3 -1 1.727157 1.743555 -0.527673 Rho 0.4375669E-01 |GRAD(Rho)| 0.1129915E-14 GRAD(Rho)x -0.2292692E-15 GRAD(Rho)y 0.8273085E-15 GRAD(Rho)z -0.7346449E-15 Laplacian 0.1853257E+00 (-1/4)Del**2(Rho)) -0.4633144E-01 Diamond 0.8010415E-01 Metallicity 0.2020310E+01 Ellipticity 0.7616511E-02 Gb(Abramov) 0.4648827E-01 Vb(Abramov) -0.4664511E-01 Hb(Abramov) -0.1568356E-03 Ex_ueg -0.1138792E-01 Ec_ueg -0.2072790E-02 Delta_ex -0.1484269E-01 Delta_ec 0.5687038E-02 Delta_et -0.5792398E-01 Pxc 0.5494005E+01 Qxc -0.2609916E+01 3,-1 149 3 -1 2.005514 -2.936128 0.855521 Rho 0.1580628E+00 |GRAD(Rho)| 0.8353339E-15 GRAD(Rho)x -0.3816798E-15 GRAD(Rho)y -0.5489045E-15 GRAD(Rho)z 0.5008065E-15 Laplacian 0.6201039E+00 (-1/4)Del**2(Rho)) -0.1550260E+00 Diamond 0.1328849E+01 Metallicity 0.5134895E+01 Ellipticity 0.5619881E-01 Gb(Abramov) 0.2360243E+00 Vb(Abramov) -0.3170227E+00 Hb(Abramov) -0.8099836E-01 Ex_ueg -0.6311870E-01 Ec_ueg -0.8961633E-02 Delta_ex -0.6737208E-01 Delta_ec 0.1537350E-01 Delta_et -0.2057125E+00 Pxc 0.7043214E+01 Qxc -0.4382351E+01 3,-1 150 3 +3 2.344534 0.053043 -0.024374 Rho 0.4697710E-02 |GRAD(Rho)| 0.1818207E-15 GRAD(Rho)x -0.5267948E-17 GRAD(Rho)y 0.1808387E-15 GRAD(Rho)z -0.1812093E-16 Laplacian 0.1932295E-01 (-1/4)Del**2(Rho)) -0.4830738E-02 Diamond 0.1891237E-03 Metallicity 0.4699123E+00 Ellipticity -0.4417723E+00 Gb(Abramov) 0.3598829E-02 Vb(Abramov) -0.2366920E-02 Hb(Abramov) 0.1231909E-02 Ex_ueg -0.5810766E-03 Ec_ueg -0.1339273E-03 Delta_ex -0.7219787E-03 Delta_ec 0.2026338E-03 Delta_et -0.1245167E-02 Pxc 0.4338746E+01 Qxc -0.3562972E+01 3,+3 151 3 +1 2.886062 0.224986 -0.199102 Rho 0.5175013E-02 |GRAD(Rho)| 0.7770994E-17 GRAD(Rho)x 0.1116415E-17 GRAD(Rho)y 0.5827316E-17 GRAD(Rho)z -0.5018401E-17 Laplacian 0.2181513E-01 (-1/4)Del**2(Rho)) -0.5453783E-02 Diamond 0.4666428E-03 Metallicity 0.4890738E+00 Ellipticity -0.1816126E+01 Gb(Abramov) 0.4080405E-02 Vb(Abramov) -0.2707028E-02 Hb(Abramov) 0.1373377E-02 Ex_ueg -0.6610997E-03 Ec_ueg -0.1544521E-03 Delta_ex -0.1033179E-02 Delta_ec 0.5821578E-03 Delta_et -0.3236626E-02 Pxc 0.4280290E+01 Qxc -0.1774741E+01 3,+1 152 3 -1 1.813028 -2.755136 -0.525313 Rho 0.1376497E+00 |GRAD(Rho)| 0.1145603E-15 GRAD(Rho)x -0.9016496E-16 GRAD(Rho)y -0.4038992E-16 GRAD(Rho)z -0.5799126E-16 Laplacian 0.5744237E+00 (-1/4)Del**2(Rho)) -0.1436059E+00 Diamond 0.1028621E+01 Metallicity 0.4402233E+01 Ellipticity 0.1765972E-01 Gb(Abramov) 0.2011017E+00 Vb(Abramov) -0.2585975E+00 Hb(Abramov) -0.5749580E-01 Ex_ueg -0.5249107E-01 Ec_ueg -0.7657668E-02 Delta_ex -0.6016786E-01 Delta_ec 0.1446030E-01 Delta_et -0.1892269E+00 Pxc 0.6854708E+01 Qxc -0.4160901E+01 3,-1 153 3 -1 1.981201 2.988268 -0.849988 Rho 0.1227095E+00 |GRAD(Rho)| 0.1692253E-13 GRAD(Rho)x -0.1349162E-13 GRAD(Rho)y -0.5942549E-14 GRAD(Rho)z -0.8308688E-14 Laplacian 0.4776899E+00 (-1/4)Del**2(Rho)) -0.1194225E+00 Diamond 0.7583422E+00 Metallicity 0.4371165E+01 Ellipticity 0.3627227E-01 Gb(Abramov) 0.1666175E+00 Vb(Abramov) -0.2138126E+00 Hb(Abramov) -0.4719506E-01 Ex_ueg -0.4503558E-01 Ec_ueg -0.6720168E-02 Delta_ex -0.4883269E-01 Delta_ec 0.1267210E-01 Delta_et -0.1634192E+00 Pxc 0.6701555E+01 Qxc -0.3853560E+01 3,-1 154 3 -1 1.787827 2.785396 0.570745 Rho 0.1332536E+00 |GRAD(Rho)| 0.6033439E-13 GRAD(Rho)x 0.2214366E-13 GRAD(Rho)y -0.3130522E-13 GRAD(Rho)z -0.4658197E-13 Laplacian 0.5616832E+00 (-1/4)Del**2(Rho)) -0.1404208E+00 Diamond 0.9737308E+00 Metallicity 0.4265007E+01 Ellipticity 0.9778500E-02 Gb(Abramov) 0.1934298E+00 Vb(Abramov) -0.2464388E+00 Hb(Abramov) -0.5300902E-01 Ex_ueg -0.5026783E-01 Ec_ueg -0.7380281E-02 Delta_ex -0.5844392E-01 Delta_ec 0.1438541E-01 Delta_et -0.1876011E+00 Pxc 0.6811100E+01 Qxc -0.4062723E+01 3,-1 155 3 -1 1.818936 -0.544421 -2.759178 Rho 0.1300151E+00 |GRAD(Rho)| 0.5369037E-14 GRAD(Rho)x 0.3994065E-14 GRAD(Rho)y 0.3564870E-14 GRAD(Rho)z 0.4070637E-15 Laplacian 0.5499269E+00 (-1/4)Del**2(Rho)) -0.1374817E+00 Diamond 0.9247986E+00 Metallicity 0.4181173E+01 Ellipticity 0.1150746E-01 Gb(Abramov) 0.1874603E+00 Vb(Abramov) -0.2374388E+00 Hb(Abramov) -0.4997856E-01 Ex_ueg -0.4864561E-01 Ec_ueg -0.7176751E-02 Delta_ex -0.5687083E-01 Delta_ec 0.1415151E-01 Delta_et -0.1838111E+00 Pxc 0.6778222E+01 Qxc -0.4018712E+01 3,-1 156 3 -1 2.764638 -0.544071 -1.789303 Rho 0.1066207E+00 |GRAD(Rho)| 0.7287507E-15 GRAD(Rho)x -0.7298205E-16 GRAD(Rho)y 0.4783907E-15 GRAD(Rho)z -0.5448794E-15 Laplacian 0.4358404E+00 (-1/4)Del**2(Rho)) -0.1089601E+00 Diamond 0.5842809E+00 Metallicity 0.3790428E+01 Ellipticity 0.2676663E-01 Gb(Abramov) 0.1414743E+00 Vb(Abramov) -0.1739885E+00 Hb(Abramov) -0.3251420E-01 Ex_ueg -0.3733995E-01 Ec_ueg -0.5727827E-02 Delta_ex -0.4309429E-01 Delta_ec 0.1194347E-01 Delta_et -0.1501725E+00 Pxc 0.6519044E+01 Qxc -0.3608188E+01 3,-1 157 3 -1 1.991678 -0.836799 3.005376 Rho 0.1443980E+00 |GRAD(Rho)| 0.1603237E-15 GRAD(Rho)x -0.8492014E-16 GRAD(Rho)y -0.1354575E-15 GRAD(Rho)z 0.1198043E-16 Laplacian 0.5677243E+00 (-1/4)Del**2(Rho)) -0.1419311E+00 Diamond 0.1105375E+01 Metallicity 0.4824039E+01 Ellipticity 0.3335744E-01 Gb(Abramov) 0.2087342E+00 Vb(Abramov) -0.2755374E+00 Hb(Abramov) -0.6680314E-01 Ex_ueg -0.5594996E-01 Ec_ueg -0.8085873E-02 Delta_ex -0.6046786E-01 Delta_ec 0.1465835E-01 Delta_et -0.1943342E+00 Pxc 0.6919471E+01 Qxc -0.4125148E+01 3,-1 158 3 -1 2.774230 0.580361 1.821566 Rho 0.1388074E+00 |GRAD(Rho)| 0.3661374E-09 GRAD(Rho)x 0.7677842E-10 GRAD(Rho)y 0.2385233E-09 GRAD(Rho)z -0.2669612E-09 Laplacian 0.5832451E+00 (-1/4)Del**2(Rho)) -0.1458113E+00 Diamond 0.1078426E+01 Metallicity 0.4396594E+01 Ellipticity 0.1012793E-01 Gb(Abramov) 0.2040530E+00 Vb(Abramov) -0.2622948E+00 Hb(Abramov) -0.5824174E-01 Ex_ueg -0.5308052E-01 Ec_ueg -0.7730922E-02 Delta_ex -0.6147615E-01 Delta_ec 0.1511457E-01 Delta_et -0.1990102E+00 Pxc 0.6866001E+01 Qxc -0.4067343E+01 3,-1 159 3 -1 2.764170 1.827814 0.579180 Rho 0.1359263E+00 |GRAD(Rho)| 0.5910550E-15 GRAD(Rho)x -0.3337649E-16 GRAD(Rho)y 0.2236574E-15 GRAD(Rho)z -0.5460855E-15 Laplacian 0.5749878E+00 (-1/4)Del**2(Rho)) -0.1437469E+00 Diamond 0.1021060E+01 Metallicity 0.4306526E+01 Ellipticity 0.1090980E-01 Gb(Abramov) 0.1990063E+00 Vb(Abramov) -0.2542656E+00 Hb(Abramov) -0.5525933E-01 Ex_ueg -0.5161664E-01 Ec_ueg -0.7548775E-02 Delta_ex -0.6012022E-01 Delta_ec 0.1465918E-01 Delta_et -0.1917597E+00 Pxc 0.6837750E+01 Qxc -0.4101200E+01 3,-1 160 3 -1 2.972681 2.002170 -0.839130 Rho 0.1234661E+00 |GRAD(Rho)| 0.2164010E-15 GRAD(Rho)x 0.6745093E-16 GRAD(Rho)y 0.1297926E-15 GRAD(Rho)z 0.1594794E-15 Laplacian 0.4785793E+00 (-1/4)Del**2(Rho)) -0.1196448E+00 Diamond 0.7657979E+00 Metallicity 0.4407971E+01 Ellipticity 0.3606313E-01 Gb(Abramov) 0.1676617E+00 Vb(Abramov) -0.2156786E+00 Hb(Abramov) -0.4801689E-01 Ex_ueg -0.4540622E-01 Ec_ueg -0.6767288E-02 Delta_ex -0.4900098E-01 Delta_ec 0.1268674E-01 Delta_et -0.1637950E+00 Pxc 0.6709663E+01 Qxc -0.3862379E+01 3,-1 161 3 -1 3.236305 -3.196925 -0.047941 Rho 0.1662810E+00 |GRAD(Rho)| 0.3585656E-11 GRAD(Rho)x -0.2509861E-11 GRAD(Rho)y 0.2474254E-11 GRAD(Rho)z 0.6599953E-12 Laplacian 0.6232576E+00 (-1/4)Del**2(Rho)) -0.1558144E+00 Diamond 0.1443731E+01 Metallicity 0.5559258E+01 Ellipticity 0.1305224E+00 Gb(Abramov) 0.2482450E+00 Vb(Abramov) -0.3406756E+00 Hb(Abramov) -0.9243061E-01 Ex_ueg -0.6753186E-01 Ec_ueg -0.9493755E-02 Delta_ex -0.6878510E-01 Delta_ec 0.1562946E-01 Delta_et -0.2114572E+00 Pxc 0.7113293E+01 Qxc -0.4400991E+01 3,-1 162 3 -1 2.981619 -1.958607 0.870404 Rho 0.1362434E+00 |GRAD(Rho)| 0.9328031E-16 GRAD(Rho)x 0.1509074E-16 GRAD(Rho)y -0.5515879E-17 GRAD(Rho)z -0.9188613E-16 Laplacian 0.5243752E+00 (-1/4)Del**2(Rho)) -0.1310938E+00 Diamond 0.9395392E+00 Metallicity 0.4740568E+01 Ellipticity 0.3834095E-01 Gb(Abramov) 0.1909724E+00 Vb(Abramov) -0.2508510E+00 Hb(Abramov) -0.5987859E-01 Ex_ueg -0.5177728E-01 Ec_ueg -0.7568800E-02 Delta_ex -0.5492442E-01 Delta_ec 0.1347740E-01 Delta_et -0.1765996E+00 Pxc 0.6840884E+01 Qxc -0.4075298E+01 3,-1 163 3 -1 2.760444 -1.796903 -0.514102 Rho 0.1553524E+00 |GRAD(Rho)| 0.1168264E-12 GRAD(Rho)x 0.8298765E-13 GRAD(Rho)y 0.8122891E-13 GRAD(Rho)z 0.1278007E-13 Laplacian 0.6503400E+00 (-1/4)Del**2(Rho)) -0.1625850E+00 Diamond 0.1328579E+01 Metallicity 0.4757030E+01 Ellipticity 0.2198018E-01 Gb(Abramov) 0.2372936E+00 Vb(Abramov) -0.3120022E+00 Hb(Abramov) -0.7470861E-01 Ex_ueg -0.6167970E-01 Ec_ueg -0.8787019E-02 Delta_ex -0.7000886E-01 Delta_ec 0.1557577E-01 Delta_et -0.2064406E+00 Pxc 0.7019411E+01 Qxc -0.4494728E+01 3,-1 164 3 -1 3.173910 3.211053 0.077440 Rho 0.2467315E+00 |GRAD(Rho)| 0.6913533E-10 GRAD(Rho)x 0.4773023E-10 GRAD(Rho)y 0.4857387E-10 GRAD(Rho)z 0.1192049E-10 Laplacian 0.8768943E+00 (-1/4)Del**2(Rho)) -0.2192236E+00 Diamond 0.3225029E+01 Metallicity 0.7627349E+01 Ellipticity 0.7787211E-04 Gb(Abramov) 0.4248315E+00 Vb(Abramov) -0.6304395E+00 Hb(Abramov) -0.2056079E+00 Ex_ueg -0.1142925E+00 Ec_ueg -0.1490568E-01 Delta_ex -0.1068120E+00 Delta_ec 0.1938329E-01 Delta_et -0.2695004E+00 Pxc 0.7667715E+01 Qxc -0.5510520E+01 3,-1 165 3 -1 -3.202191 3.187718 -0.118438 Rho 0.1808628E+00 |GRAD(Rho)| 0.6062864E-14 GRAD(Rho)x 0.1594292E-14 GRAD(Rho)y 0.4005504E-14 GRAD(Rho)z -0.4262920E-14 Laplacian 0.7098321E+00 (-1/4)Del**2(Rho)) -0.1774580E+00 Diamond 0.1825152E+01 Metallicity 0.5615300E+01 Ellipticity 0.1122541E+00 Gb(Abramov) 0.2843853E+00 Vb(Abramov) -0.3913127E+00 Hb(Abramov) -0.1069273E+00 Ex_ueg -0.7554123E-01 Ec_ueg -0.1044766E-01 Delta_ex -0.8005048E-01 Delta_ec 0.1750449E-01 Delta_et -0.2394140E+00 Pxc 0.7230447E+01 Qxc -0.4573139E+01 3,-1 166 3 -1 -3.181367 -3.217975 0.076308 Rho 0.2578996E+00 |GRAD(Rho)| 0.2878283E-12 GRAD(Rho)x 0.2027202E-12 GRAD(Rho)y 0.1984227E-12 GRAD(Rho)z -0.4876581E-13 Laplacian 0.9314833E+00 (-1/4)Del**2(Rho)) -0.2328708E+00 Diamond 0.3578079E+01 Metallicity 0.7730172E+01 Ellipticity 0.1426852E-02 Gb(Abramov) 0.4552692E+00 Vb(Abramov) -0.6776675E+00 Hb(Abramov) -0.2223983E+00 Ex_ueg -0.1212419E+00 Ec_ueg -0.1568523E-01 Delta_ex -0.1146159E+00 Delta_ec 0.2001140E-01 Delta_et -0.2770742E+00 Pxc 0.7729684E+01 Qxc -0.5727528E+01 3,-1 167 3 -1 -2.964327 1.967144 0.832395 Rho 0.1453051E+00 |GRAD(Rho)| 0.3373741E-15 GRAD(Rho)x 0.1319745E-15 GRAD(Rho)y 0.1550274E-15 GRAD(Rho)z -0.2690177E-15 Laplacian 0.5699595E+00 (-1/4)Del**2(Rho)) -0.1424899E+00 Diamond 0.1107350E+01 Metallicity 0.4855536E+01 Ellipticity 0.2232639E-01 Gb(Abramov) 0.2103040E+00 Vb(Abramov) -0.2781182E+00 Hb(Abramov) -0.6781416E-01 Ex_ueg -0.5641910E-01 Ec_ueg -0.8143652E-02 Delta_ex -0.6068709E-01 Delta_ec 0.1449393E-01 Delta_et -0.1918953E+00 Pxc 0.6927985E+01 Qxc -0.4187071E+01 3,-1 168 3 -1 0.577360 -1.814172 -2.745352 Rho 0.1415482E+00 |GRAD(Rho)| 0.1329305E-15 GRAD(Rho)x -0.4389664E-16 GRAD(Rho)y 0.1234771E-15 GRAD(Rho)z 0.2229391E-16 Laplacian 0.5943990E+00 (-1/4)Del**2(Rho)) -0.1485997E+00 Diamond 0.1123808E+01 Metallicity 0.4456997E+01 Ellipticity 0.1100130E-01 Gb(Abramov) 0.2094513E+00 Vb(Abramov) -0.2703028E+00 Hb(Abramov) -0.6085153E-01 Ex_ueg -0.5448256E-01 Ec_ueg -0.7904692E-02 Delta_ex -0.6293613E-01 Delta_ec 0.1530430E-01 Delta_et -0.2020486E+00 Pxc 0.6892434E+01 Qxc -0.4112317E+01 3,-1 169 3 -1 -0.547336 1.731919 1.719165 Rho 0.4451462E-01 |GRAD(Rho)| 0.8601630E-16 GRAD(Rho)x 0.6460829E-16 GRAD(Rho)y 0.2816046E-16 GRAD(Rho)z 0.4931087E-16 Laplacian 0.1804302E+00 (-1/4)Del**2(Rho)) -0.4510754E-01 Diamond 0.7700231E-01 Metallicity 0.2135380E+01 Ellipticity 0.1457267E-01 Gb(Abramov) 0.4612532E-01 Vb(Abramov) -0.4714309E-01 Hb(Abramov) -0.1017773E-02 Ex_ueg -0.1165168E-01 Ec_ueg -0.2113984E-02 Delta_ex -0.1437000E-01 Delta_ec 0.5282135E-02 Delta_et -0.5400092E-01 Pxc 0.5511716E+01 Qxc -0.2720492E+01 3,-1 170 3 -1 0.099642 -3.220925 -3.173563 Rho 0.2579667E+00 |GRAD(Rho)| 0.2059502E-15 GRAD(Rho)x 0.1100465E-16 GRAD(Rho)y 0.1222980E-15 GRAD(Rho)z -0.1653408E-15 Laplacian 0.9350592E+00 (-1/4)Del**2(Rho)) -0.2337648E+00 Diamond 0.3591606E+01 Metallicity 0.7703951E+01 Ellipticity 0.2611668E-02 Gb(Abramov) 0.4559953E+00 Vb(Abramov) -0.6782258E+00 Hb(Abramov) -0.2222305E+00 Ex_ueg -0.1212839E+00 Ec_ueg -0.1568993E-01 Delta_ex -0.1150573E+00 Delta_ec 0.2007509E-01 Delta_et -0.2779008E+00 Pxc 0.7730047E+01 Qxc -0.5731346E+01 3,-1 171 3 -1 -0.069643 -3.177546 3.221442 Rho 0.2478301E+00 |GRAD(Rho)| 0.7770333E-15 GRAD(Rho)x 0.2482010E-15 GRAD(Rho)y 0.5733261E-15 GRAD(Rho)z -0.4620328E-15 Laplacian 0.8748564E+00 (-1/4)Del**2(Rho)) -0.2187141E+00 Diamond 0.3243148E+01 Metallicity 0.7701934E+01 Ellipticity 0.8960496E-03 Gb(Abramov) 0.4265630E+00 Vb(Abramov) -0.6344119E+00 Hb(Abramov) -0.2078489E+00 Ex_ueg -0.1149716E+00 Ec_ueg -0.1498206E-01 Delta_ex -0.1067304E+00 Delta_ec 0.1938865E-01 Delta_et -0.2699576E+00 Pxc 0.7673947E+01 Qxc -0.5504787E+01 3,-1 172 3 -1 0.580179 -2.782492 -1.776076 Rho 0.1381013E+00 |GRAD(Rho)| 0.8190389E-16 GRAD(Rho)x 0.1202109E-16 GRAD(Rho)y 0.4003755E-16 GRAD(Rho)z -0.7043248E-16 Laplacian 0.5776702E+00 (-1/4)Del**2(Rho)) -0.1444176E+00 Diamond 0.1066031E+01 Metallicity 0.4401452E+01 Ellipticity 0.2042473E-01 Gb(Abramov) 0.2022195E+00 Vb(Abramov) -0.2600215E+00 Hb(Abramov) -0.5780197E-01 Ex_ueg -0.5272080E-01 Ec_ueg -0.7686231E-02 Delta_ex -0.6086245E-01 Delta_ec 0.1507675E-01 Delta_et -0.1985370E+00 Pxc 0.6859122E+01 Qxc -0.4036841E+01 3,-1 173 3 -1 0.539488 2.780729 1.810573 Rho 0.1403934E+00 |GRAD(Rho)| 0.2377915E-15 GRAD(Rho)x -0.1759254E-15 GRAD(Rho)y -0.9381737E-16 GRAD(Rho)z -0.1295893E-15 Laplacian 0.5886599E+00 (-1/4)Del**2(Rho)) -0.1471650E+00 Diamond 0.1101404E+01 Metallicity 0.4439421E+01 Ellipticity 0.1022804E-01 Gb(Abramov) 0.2069978E+00 Vb(Abramov) -0.2668307E+00 Hb(Abramov) -0.5983288E-01 Ex_ueg -0.5389069E-01 Ec_ueg -0.7831415E-02 Delta_ex -0.6219700E-01 Delta_ec 0.1517414E-01 Delta_et -0.2000582E+00 Pxc 0.6881348E+01 Qxc -0.4098880E+01 3,-1 174 3 -1 0.524103 -1.707779 1.753921 Rho 0.4064429E-01 |GRAD(Rho)| 0.1259650E-12 GRAD(Rho)x -0.1929875E-13 GRAD(Rho)y 0.1171340E-12 GRAD(Rho)z -0.4212303E-13 Laplacian 0.1701556E+00 (-1/4)Del**2(Rho)) -0.4253889E-01 Diamond 0.6665162E-01 Metallicity 0.1945806E+01 Ellipticity 0.3045933E-01 Gb(Abramov) 0.4215466E-01 Vb(Abramov) -0.4177044E-01 Hb(Abramov) 0.3842264E-03 Ex_ueg -0.1032090E-01 Ec_ueg -0.1904657E-02 Delta_ex -0.1338838E-01 Delta_ec 0.5236427E-02 Delta_et -0.5228545E-01 Pxc 0.5418772E+01 Qxc -0.2556778E+01 3,-1 175 3 -1 1.744047 -1.710167 0.537644 Rho 0.4762080E-01 |GRAD(Rho)| 0.1034492E-14 GRAD(Rho)x -0.6613468E-15 GRAD(Rho)y 0.7198531E-15 GRAD(Rho)z 0.3385343E-15 Laplacian 0.1975024E+00 (-1/4)Del**2(Rho)) -0.4937561E-01 Diamond 0.9179347E-01 Metallicity 0.2182907E+01 Ellipticity 0.2445297E-01 Gb(Abramov) 0.5088080E-01 Vb(Abramov) -0.5238598E-01 Hb(Abramov) -0.1505187E-02 Ex_ueg -0.1274815E-01 Ec_ueg -0.2283788E-02 Delta_ex -0.1597129E-01 Delta_ec 0.5730458E-02 Delta_et -0.5962114E-01 Pxc 0.5582020E+01 Qxc -0.2787088E+01 3,-1 176 3 -1 2.982179 0.867097 -2.003978 Rho 0.1407113E+00 |GRAD(Rho)| 0.5259127E-15 GRAD(Rho)x -0.1045171E-15 GRAD(Rho)y 0.5025548E-15 GRAD(Rho)z 0.1144511E-15 Laplacian 0.5503425E+00 (-1/4)Del**2(Rho)) -0.1375856E+00 Diamond 0.1024148E+01 Metallicity 0.4766452E+01 Ellipticity 0.5936180E-01 Gb(Abramov) 0.2010230E+00 Vb(Abramov) -0.2644603E+00 Hb(Abramov) -0.6343734E-01 Ex_ueg -0.5405350E-01 Ec_ueg -0.7851583E-02 Delta_ex -0.5808976E-01 Delta_ec 0.1401658E-01 Delta_et -0.1845192E+00 Pxc 0.6884408E+01 Qxc -0.4144359E+01 3,-1 177 3 -1 3.204766 0.079543 3.219883 Rho 0.2578247E+00 |GRAD(Rho)| 0.8305655E-15 GRAD(Rho)x -0.4724953E-15 GRAD(Rho)y -0.1810076E-15 GRAD(Rho)z -0.6586528E-15 Laplacian 0.9331381E+00 (-1/4)Del**2(Rho)) -0.2332845E+00 Diamond 0.3586317E+01 Metallicity 0.7712728E+01 Ellipticity 0.1427618E-02 Gb(Abramov) 0.4553997E+00 Vb(Abramov) -0.6775149E+00 Hb(Abramov) -0.2221152E+00 Ex_ueg -0.1211949E+00 Ec_ueg -0.1567998E-01 Delta_ex -0.1148259E+00 Delta_ec 0.2007584E-01 Delta_et -0.2780972E+00 Pxc 0.7729278E+01 Qxc -0.5719605E+01 3,-1 178 3 -1 3.207568 -0.059295 -3.184027 Rho 0.2471871E+00 |GRAD(Rho)| 0.2495448E-15 GRAD(Rho)x 0.8782038E-16 GRAD(Rho)y 0.7898413E-16 GRAD(Rho)z 0.2198220E-15 Laplacian 0.8832092E+00 (-1/4)Del**2(Rho)) -0.2208023E+00 Diamond 0.3251592E+01 Metallicity 0.7596135E+01 Ellipticity 0.5100601E-02 Gb(Abramov) 0.4267422E+00 Vb(Abramov) -0.6326821E+00 Hb(Abramov) -0.2059399E+00 Ex_ueg -0.1145740E+00 Ec_ueg -0.1493735E-01 Delta_ex -0.1076133E+00 Delta_ec 0.1947662E-01 Delta_et -0.2706518E+00 Pxc 0.7670304E+01 Qxc -0.5525255E+01 3,-1 179 3 -1 -0.062731 3.189059 -3.216971 Rho 0.2474924E+00 |GRAD(Rho)| 0.1045107E-13 GRAD(Rho)x 0.4478189E-14 GRAD(Rho)y 0.9349834E-14 GRAD(Rho)z -0.1323377E-14 Laplacian 0.8831336E+00 (-1/4)Del**2(Rho)) -0.2207834E+00 Diamond 0.3257550E+01 Metallicity 0.7612429E+01 Ellipticity 0.5515316E-02 Gb(Abramov) 0.4273053E+00 Vb(Abramov) -0.6338271E+00 Hb(Abramov) -0.2065219E+00 Ex_ueg -0.1147627E+00 Ec_ueg -0.1495858E-01 Delta_ex -0.1076460E+00 Delta_ec 0.1948052E-01 Delta_et -0.2707740E+00 Pxc 0.7672035E+01 Qxc -0.5525827E+01 3,-1 180 3 -1 0.037840 3.206916 3.209553 Rho 0.2587919E+00 |GRAD(Rho)| 0.5832236E-15 GRAD(Rho)x -0.1331129E-15 GRAD(Rho)y -0.4329219E-15 GRAD(Rho)z -0.3674361E-15 Laplacian 0.9320711E+00 (-1/4)Del**2(Rho)) -0.2330178E+00 Diamond 0.3600414E+01 Metallicity 0.7769898E+01 Ellipticity 0.1649396E-02 Gb(Abramov) 0.4570992E+00 Vb(Abramov) -0.6811807E+00 Hb(Abramov) -0.2240815E+00 Ex_ueg -0.1218015E+00 Ec_ueg -0.1574781E-01 Delta_ex -0.1148175E+00 Delta_ec 0.2004696E-01 Delta_et -0.2777927E+00 Pxc 0.7734505E+01 Qxc -0.5727425E+01 3,-1 181 3 -1 -2.972088 -1.999459 -0.843050 Rho 0.1408074E+00 |GRAD(Rho)| 0.1525300E-15 GRAD(Rho)x -0.7445758E-16 GRAD(Rho)y -0.1293589E-15 GRAD(Rho)z 0.3142831E-16 Laplacian 0.5538932E+00 (-1/4)Del**2(Rho)) -0.1384733E+00 Diamond 0.1045184E+01 Metallicity 0.4741288E+01 Ellipticity 0.3058662E-01 Gb(Abramov) 0.2017392E+00 Vb(Abramov) -0.2650050E+00 Hb(Abramov) -0.6326587E-01 Ex_ueg -0.5410272E-01 Ec_ueg -0.7857678E-02 Delta_ex -0.5862150E-01 Delta_ec 0.1436748E-01 Delta_et -0.1897164E+00 Pxc 0.6885331E+01 Qxc -0.4080153E+01 3,-1 182 3 -1 3.888019 -4.425475 0.129946 Rho 0.3242837E+00 |GRAD(Rho)| 0.1266358E-14 GRAD(Rho)x -0.6586090E-15 GRAD(Rho)y 0.5730250E-15 GRAD(Rho)z -0.9173545E-15 Laplacian -0.1775509E+01 (-1/4)Del**2(Rho)) 0.4438772E+00 Diamond 0.6217065E+01 Metallicity -0.5940626E+01 Ellipticity 0.2658550E-02 Gb(Abramov) 0.1435666E+00 Vb(Abramov) -0.7310103E+00 Hb(Abramov) -0.5874437E+00 Ex_ueg -0.1645452E+00 Ec_ueg -0.2046053E-01 Delta_ex 0.1780487E+00 Delta_ec 0.6138683E-01 Delta_et -0.1467224E+01 Pxc 0.8042080E+01 Qxc 0.2900438E+01 3,-1 183 3 -1 -4.048313 4.019131 -0.926434 Rho 0.3254383E+00 |GRAD(Rho)| 0.1972403E-11 GRAD(Rho)x 0.1411743E-11 GRAD(Rho)y -0.1307875E-11 GRAD(Rho)z -0.4322253E-12 Laplacian -0.1832771E+01 (-1/4)Del**2(Rho)) 0.4581928E+00 Diamond 0.6392304E+01 Metallicity -0.5789211E+01 Ellipticity 0.2314254E-02 Gb(Abramov) 0.1366340E+00 Vb(Abramov) -0.7314607E+00 Hb(Abramov) -0.5948267E+00 Ex_ueg -0.1653268E+00 Ec_ueg -0.2054575E-01 Delta_ex 0.1842337E+00 Delta_ec 0.6303342E-01 Delta_et -0.1510020E+01 Pxc 0.8046764E+01 Qxc 0.2922794E+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 81 174 119 109 141 110 171 117 168 172 116 108 170 122 84 115 139 111 179 169 140 173 113 82 180 175 163 152 162 149 161 148 159 154 160 153 164 92 74 93 167 94 165 100 76 91 181 89 166 97 73 80 78 95 62 63 66 98 67 81 60 131 158 145 147 157 177 144 156 155 176 146 178 133 127 134 125 124 128 137 182 183 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 21 22 26 45 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 23 24 28 55 54 2.435332 1.905487 1.932704 1.952412 2.029247 1.704858 2.385471 1.934978 1.944849 1.957235 1.940780 1.716718 2.391267 1.944443 2.021206 1.940568 1.923171 1.705062 2.419047 1.922659 1.938150 1.942056 1.966072 1.715627 2.361060 1.874385 1.922686 1.940234 1.879546 1.857430 2.402066 1.925868 1.934055 1.979714 1.981838 1.706490 2.323146 1.884527 1.864781 1.937548 1.915505 1.844219 2.394541 1.941603 1.938276 1.948550 1.945518 1.716927 2.382373 1.991151 1.932745 1.938218 1.922947 1.716225 2.430557 1.926562 1.954838 1.941756 1.941619 1.715116 2.401994 1.942262 1.940154 1.941932 1.939092 1.716927 2.388445 2.027291 1.943807 1.926302 1.937089 1.705515 1.696184 1.693937 1.683130 1.705554 3.257354 3.285419 3.232714 0.985680 0.982446 2.436860 1.905964 1.933206 1.953331 2.029681 1.704866 2.387101 1.935392 1.945339 1.957942 1.941498 1.716721 2.393080 1.944985 2.021698 1.941313 1.924004 1.705072 2.420520 1.923026 1.938578 1.942766 1.966527 1.715633 2.362903 1.875395 1.923348 1.941321 1.880783 1.859275 2.403935 1.926358 1.934550 1.980599 1.982737 1.706499 2.324472 1.885062 1.865343 1.938429 1.916397 1.846031 2.396251 1.941968 1.938715 1.949257 1.946226 1.716928 2.384033 1.991555 1.933188 1.938949 1.923610 1.716230 2.432024 1.926954 1.955235 1.942212 1.942338 1.715123 2.403794 1.942688 1.940524 1.942430 1.939763 1.716933 2.390250 2.027959 1.944357 1.927144 1.937820 1.705525 1.696193 1.693940 1.683134 1.705568 3.271336 3.299105 3.242316 0.985996 0.982752 27 25 25 27 24 20 27 25 25 25 25 23 27 23 26 27 26 20 27 28 25 25 25 23 27 24 24 25 24 24 32 25 25 24 24 20 27 24 24 24 26 23 27 25 25 25 25 21 27 25 25 25 25 23 27 25 25 25 26 22 32 24 27 27 24 24 30 24 23 26 28 20 23 24 23 23 35 35 35 21 19 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 Mo W Mo W Mo Mo W W W W W 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 H 2.4193 2.5431 2.4065 2.5506 2.5436 2.4060 2.6625 2.5476 2.5485 2.5496 2.5188 2.3990 -1.1278 -1.1468 -1.1368 -1.1369 -0.9429 -0.8663 -0.9219 -0.9091 -0.9119 -0.9429 -0.9145 -0.9063 -0.8922 -0.9108 -0.9104 -0.8935 -0.8808 -0.9314 -0.8606 -0.9221 -0.8959 -0.8600 -0.9333 -0.9280 -0.9319 -0.9189 -0.8537 -0.8611 -0.6199 -0.7027 -0.6184 -0.7025 -0.6419 -0.6250 -0.6557 -0.7073 -0.7021 -0.7009 -0.7034 -0.6195 2.5339 0.3034 0.3155 1.9238 2.0726 1.9121 2.0727 1.9124 1.9238 2.0608 2.0764 2.0742 2.0726 2.0781 1.9111 1.9390 1.9355 1.9405 1.9345 1.9359 1.9516 1.9405 1.9411 1.9408 1.9364 1.9399 1.9420 1.9448 1.9407 1.9407 1.9432 1.9550 1.9507 1.9579 1.9519 1.9546 1.9588 1.9500 1.9515 1.9506 1.9521 1.9586 1.9580 1.9933 1.9800 1.9925 1.9809 1.8872 1.9917 1.8787 1.9796 1.9804 1.9813 1.9808 1.9922 0.8029 0.5993 0.5889 6.0498 6.0707 6.0569 6.0715 6.0191 6.0536 6.0780 6.0716 6.0717 6.0720 6.0835 6.0563 5.1488 5.1708 5.1557 5.1623 4.9766 4.8877 4.9501 4.9394 4.9431 4.9759 4.9467 4.9353 4.9173 4.9416 4.9412 4.9212 4.8937 4.9473 4.8739 4.9364 4.9102 4.8707 4.9499 4.9424 4.9477 4.9328 4.8658 4.8744 4.5883 4.6827 4.5876 4.6814 4.7227 4.5953 4.7448 4.6878 4.6816 4.6793 4.6825 4.5890 1.1139 0.0973 0.0956 3.6071 3.2851 3.6245 3.2766 3.5249 3.6167 3.1679 3.2758 3.2770 3.2773 3.2908 3.6335 0.0400 0.0406 0.0405 0.0401 0.0304 0.0269 0.0313 0.0286 0.0279 0.0307 0.0279 0.0291 0.0301 0.0284 0.0285 0.0292 0.0320 0.0334 0.0288 0.0338 0.0311 0.0306 0.0334 0.0342 0.0335 0.0340 0.0293 0.0288 0.0383 0.0400 0.0383 0.0402 0.0321 0.0380 0.0323 0.0399 0.0401 0.0403 0.0401 0.0383 10.5492 0.0000 0.0000 0.0000 14.0286 0.0000 14.0286 0.0000 0.0000 14.0307 14.0286 14.0285 14.0286 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 55 Mo W Mo W Mo Mo W W W W W 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 H 3.184664 2.526726 3.183882 2.528156 3.213972 3.184469 2.578413 2.528751 2.527547 2.528715 2.527613 3.180236 -1.166580 -1.101514 -1.217503 -1.093717 -0.926150 -1.118173 -0.909405 -1.042772 -1.041276 -0.925526 -1.042941 -1.044136 -0.998267 -1.041865 -1.041607 -1.029389 -0.987271 -0.890409 -1.096523 -0.880107 -0.996602 -1.100343 -0.892673 -0.885628 -0.890494 -0.877749 -1.078669 -1.096495 -0.881357 -0.719503 -0.879170 -0.718961 -0.621884 -0.887207 -0.486282 -0.725895 -0.718764 -0.716848 -0.718920 -0.878694 2.328918 0.179176 0.166031 2.384933 1.967066 2.389316 1.962553 2.179621 2.388532 1.848987 1.959676 1.962413 1.963465 1.969450 2.395328 -0.861082 -0.784979 -0.943858 -0.764057 -0.694276 -0.832015 -0.665374 -0.790066 -0.791521 -0.692722 -0.793704 -0.799792 -0.756453 -0.792858 -0.791021 -0.744497 -0.741679 -0.717991 -0.876839 -0.679593 -0.798549 -0.873175 -0.713999 -0.711389 -0.711851 -0.675539 -0.831825 -0.881698 -0.620062 -0.587209 -0.612577 -0.589287 -0.661459 -0.624335 -0.606297 -0.599057 -0.588186 -0.586996 -0.581223 -0.609554 1.691882 0.457777 0.457643 2.459287 2.056845 2.460516 2.050785 2.527251 2.461522 2.069823 2.053287 2.052657 2.053972 2.061083 2.464629 -0.876473 -0.825221 -0.940299 -0.815063 -0.775602 -0.933037 -0.768523 -0.867536 -0.880198 -0.774797 -0.873158 -0.871560 -0.854846 -0.868299 -0.869449 -0.857125 -0.826023 -0.752233 -0.917043 -0.728666 -0.842871 -0.912292 -0.748756 -0.739167 -0.740730 -0.717106 -0.921098 -0.924690 -0.579886 -0.557001 -0.567300 -0.558736 -0.702937 -0.579096 -0.603022 -0.568587 -0.557482 -0.555342 -0.543554 -0.565211 1.667733 0.454796 0.465828 0.90379853 0.18207348 -2.58514844 2.74463021 9.88209012 -66.90756084 8.89133588 29.97909152 -23.16019034 -39.86118164 -394.8099 407.2319 -101.2085 -357.4544 -2.0711 -448.3121 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:13 Nodes: 1 Procs: 1 Jun10-2024 15:29:31 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:35 Nodes: 1 Procs: 5 *** (NO TITLE) *** -1 -15.89188739 -16.32115054 -16.34244916 -16.44705917 -16.46831564 -16.47160277 -16.47298393 -16.47424216 -16.47439166 -16.47449542 -16.47452808 -16.47458415 -16.47474140 -16.47481791 -16.47496611 -16.47498684 -16.47505283 -16.47509953 -16.47513292 -16.47516023 -16.47516599 GEOMETRY CONVERGED