ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:53:57 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.06 1.56 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 Jun19-2024 11:53:57 Nodes: 1 Procs: 1 Jun19-2024 11:53:59 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:54:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.06 1.95 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 Jun19-2024 11:53:57 Nodes: 1 Procs: 1 Jun19-2024 11:53:59 Nodes: 1 Procs: 1 0 Jun19-2024 11:54:01 Nodes: 1 Procs: 1 Jun19-2024 11:54:03 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:54:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.70 0.07 3.18 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun19-2024 11:53:57 Nodes: 1 Procs: 1 Jun19-2024 11:53:59 Nodes: 1 Procs: 1 0 Jun19-2024 11:54:01 Nodes: 1 Procs: 1 Jun19-2024 11:54:03 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:54:06 Nodes: 1 Procs: 1 Jun19-2024 11:54:08 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:54:12 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.31 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 Jun19-2024 11:53:57 Nodes: 1 Procs: 1 Jun19-2024 11:53:59 Nodes: 1 Procs: 1 0 Jun19-2024 11:54:01 Nodes: 1 Procs: 1 Jun19-2024 11:54:03 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:54:06 Nodes: 1 Procs: 1 Jun19-2024 11:54:08 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:54:12 Nodes: 1 Procs: 1 Jun19-2024 11:54:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:54:15 Hydrogen (TZP) c2-38 c2-38 c2-38 c2-38 c2-38 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.70 0.06 3.12 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 Jun19-2024 11:53:57 Nodes: 1 Procs: 1 Jun19-2024 11:53:59 Nodes: 1 Procs: 1 0 Jun19-2024 11:54:01 Nodes: 1 Procs: 1 Jun19-2024 11:54:03 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:54:06 Nodes: 1 Procs: 1 Jun19-2024 11:54:08 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:54:12 Nodes: 1 Procs: 1 Jun19-2024 11:54:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 11:54:15 Nodes: 1 Procs: 1 Jun19-2024 11:54:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:54:22 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2270.5690999999997 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun19-2024 11:54:17 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 11:54:13 1 1 Oxygen TZP 1s t21.Ta ADF 2019.304 Jun19-2024 11:54:08 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 11:54:03 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun19-2024 11:53:59 1 1 Hydrogen TZP 1 1 -14.64417383 0.78737537 0.00100000 F 0.10702897 0.00066667 F 0.78737537 0.10702897 0.30031597 0.01000000 F 0.06834620 0.00666667 F Cartesian 2270.5690999999997 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0.3188606E+03 3,-3 18 3 -3 -1.812662 -0.240249 3.247766 Rho 0.3192600E+03 3,-3 19 3 -3 2.910516 1.316263 -1.338806 Rho 0.3188585E+03 3,-3 20 3 -3 -2.209997 2.338554 -1.531755 Rho 0.3187072E+03 3,-3 21 3 -3 3.191178 -0.905297 -0.006289 Rho 0.3188602E+03 3,-3 22 3 -3 -2.193443 2.258181 1.584909 Rho 0.3187131E+03 3,-3 23 3 -3 1.014984 -3.297843 0.011752 Rho 0.3188480E+03 3,-3 24 3 -3 0.065413 1.710171 2.906956 Rho 0.3188281E+03 3,-3 25 3 -3 -1.225299 -3.153317 -1.327365 Rho 0.3187180E+03 3,-3 26 3 -3 2.905667 1.281207 1.307910 Rho 0.3189013E+03 3,-3 27 3 -3 -1.953128 -0.247212 -3.327001 Rho 0.3191169E+03 3,-3 28 3 -3 2.070431 -0.142163 -3.439539 Rho 0.3190469E+03 3,-3 29 3 -3 -0.864988 4.483413 -2.783522 Rho 0.3192676E+03 3,-3 30 3 -3 1.396639 3.537251 -1.322847 Rho 0.3189337E+03 3,-3 31 3 -3 0.191823 -2.079339 3.512826 Rho 0.3188969E+03 3,-3 32 3 -3 2.468364 -2.424195 -2.076513 Rho 0.3189120E+03 3,-3 33 3 -3 -0.823739 4.015682 0.035693 Rho 0.3189462E+03 3,-3 34 3 -3 2.452719 -2.431744 2.092417 Rho 0.3189780E+03 3,-3 35 3 -3 0.734169 -4.689151 2.529497 Rho 0.3192226E+03 3,-3 36 3 -3 2.045064 -0.106271 3.409294 Rho 0.3189895E+03 3,-3 37 3 -3 0.141620 -2.210222 -3.477819 Rho 0.3189290E+03 3,-3 38 3 -3 1.402543 3.515821 1.378440 Rho 0.3189325E+03 3,-3 39 3 -3 0.887328 -4.726818 -2.479064 Rho 0.3192493E+03 3,-3 40 3 -3 4.661494 -0.657774 -2.472308 Rho 0.3192481E+03 3,-3 41 3 -3 -0.884707 4.421623 2.835516 Rho 0.3192761E+03 3,-3 42 3 -3 4.651981 -0.715498 2.477616 Rho 0.3192378E+03 3,-3 43 3 -3 -0.178438 -0.155398 -3.642868 Rho 0.3882646E+07 3,-3 44 3 -3 -0.278429 -0.027065 -0.014920 Rho 0.4276100E+05 3,-3 45 3 -3 -2.198638 1.376626 1.101146 Rho 0.4306846E+00 3,-3 46 3 -3 -2.215251 1.423663 -1.123478 Rho 0.4346966E+00 3,-3 47 3 -3 -1.336210 -3.130137 -0.325072 Rho 0.4321786E+00 3,-3 48 3 +1 1.413398 0.678587 -0.889530 Rho 0.6642105E-02 |GRAD(Rho)| 0.1002504E-16 GRAD(Rho)x 0.5051998E-17 GRAD(Rho)y 0.8586563E-17 GRAD(Rho)z 0.1117910E-17 Laplacian 0.2576936E-01 (-1/4)Del**2(Rho)) -0.6442340E-02 Diamond 0.4886597E-03 Metallicity 0.6276041E+00 Ellipticity -0.1361782E+01 Gb(Abramov) 0.4968767E-02 Vb(Abramov) -0.3495193E-02 Hb(Abramov) 0.1473573E-02 Ex_ueg -0.9221312E-03 Ec_ueg -0.2182496E-03 Delta_ex -0.1105741E-02 Delta_ec 0.3664674E-03 Delta_et -0.2339188E-02 Pxc 0.4225122E+01 Qxc -0.3017297E+01 3,+1 49 3 +3 1.143495 1.083349 -1.695872 Rho 0.3977645E-02 |GRAD(Rho)| 0.2596242E-17 GRAD(Rho)x -0.1807199E-17 GRAD(Rho)y -0.1498191E-17 GRAD(Rho)z -0.1109022E-17 Laplacian 0.1607577E-01 (-1/4)Del**2(Rho)) -0.4018944E-02 Diamond 0.1168249E-03 Metallicity 0.4280403E+00 Ellipticity -0.3573649E+00 Gb(Abramov) 0.2966007E-02 Vb(Abramov) -0.1913071E-02 Hb(Abramov) 0.1052936E-02 Ex_ueg -0.4654644E-03 Ec_ueg -0.1031855E-03 Delta_ex -0.5652072E-03 Delta_ec 0.1488682E-03 Delta_et -0.9018894E-03 Pxc 0.4510946E+01 Qxc -0.3796696E+01 3,+3 50 3 +1 -1.150178 1.433275 0.691923 Rho 0.1178576E-01 |GRAD(Rho)| 0.2069785E-16 GRAD(Rho)x -0.3939514E-17 GRAD(Rho)y 0.9964668E-17 GRAD(Rho)z 0.1770838E-16 Laplacian 0.4714028E-01 (-1/4)Del**2(Rho)) -0.1178507E-01 Diamond 0.1880294E-02 Metallicity 0.8922445E+00 Ellipticity -0.1519433E+01 Gb(Abramov) 0.9609241E-02 Vb(Abramov) -0.7433412E-02 Hb(Abramov) 0.2175830E-02 Ex_ueg -0.1980898E-02 Ec_ueg -0.4496882E-03 Delta_ex -0.2317265E-02 Delta_ec 0.6316790E-03 Delta_et -0.4700339E-02 Pxc 0.4405047E+01 Qxc -0.3668422E+01 3,+1 51 3 +1 -1.169088 1.444973 -0.690314 Rho 0.1152750E-01 |GRAD(Rho)| 0.2952329E-15 GRAD(Rho)x -0.3606787E-16 GRAD(Rho)y -0.2790662E-15 GRAD(Rho)z 0.8935130E-16 Laplacian 0.4587064E-01 (-1/4)Del**2(Rho)) -0.1146766E-01 Diamond 0.1754000E-02 Metallicity 0.8836973E+00 Ellipticity -0.1500236E+01 Gb(Abramov) 0.9334096E-02 Vb(Abramov) -0.7200533E-02 Hb(Abramov) 0.2133563E-02 Ex_ueg -0.1923233E-02 Ec_ueg -0.4378008E-03 Delta_ex -0.2235420E-02 Delta_ec 0.6032649E-03 Delta_et -0.4473000E-02 Pxc 0.4392940E+01 Qxc -0.3705537E+01 3,+1 52 3 -1 -1.759487 -0.002704 -1.687160 Rho 0.5619862E-02 |GRAD(Rho)| 0.9812513E-17 GRAD(Rho)x 0.5533753E-19 GRAD(Rho)y 0.8348165E-17 GRAD(Rho)z 0.5156597E-17 Laplacian 0.1909948E-01 (-1/4)Del**2(Rho)) -0.4774870E-02 Diamond 0.5378228E-03 Metallicity 0.6409158E+00 Ellipticity 0.6388952E+00 Gb(Abramov) 0.3693295E-02 Vb(Abramov) -0.2611720E-02 Hb(Abramov) 0.1081575E-02 Ex_ueg -0.7379369E-03 Ec_ueg -0.1736847E-03 Delta_ex -0.9846603E-03 Delta_ec 0.6250049E-03 Delta_et -0.3506006E-02 Pxc 0.4248715E+01 Qxc -0.1575444E+01 3,-1 53 3 -1 -1.702593 -0.001795 1.652871 Rho 0.5952187E-02 |GRAD(Rho)| 0.3970077E-16 GRAD(Rho)x -0.3733842E-16 GRAD(Rho)y 0.1174629E-16 GRAD(Rho)z 0.6634640E-17 Laplacian 0.2155697E-01 (-1/4)Del**2(Rho)) -0.5389243E-02 Diamond 0.6708159E-03 Metallicity 0.6249131E+00 Ellipticity 0.8068366E+00 Gb(Abramov) 0.4154130E-02 Vb(Abramov) -0.2919017E-02 Hb(Abramov) 0.1235113E-02 Ex_ueg -0.7966859E-03 Ec_ueg -0.1881166E-03 Delta_ex -0.1134900E-02 Delta_ec 0.7251577E-03 Delta_et -0.4131181E-02 Pxc 0.4235063E+01 Qxc -0.1565038E+01 3,-1 54 3 -1 -2.007934 0.991039 -2.355151 Rho 0.7202261E-02 |GRAD(Rho)| 0.4386272E-14 GRAD(Rho)x 0.3956406E-14 GRAD(Rho)y 0.1516912E-14 GRAD(Rho)z -0.1133673E-14 Laplacian 0.2666792E-01 (-1/4)Del**2(Rho)) -0.6666979E-02 Diamond 0.1177859E-02 Metallicity 0.6940736E+00 Ellipticity 0.2877059E+00 Gb(Abramov) 0.5215882E-02 Vb(Abramov) -0.3764784E-02 Hb(Abramov) 0.1451097E-02 Ex_ueg -0.1027252E-02 Ec_ueg -0.2428823E-03 Delta_ex -0.1517564E-02 Delta_ec 0.1004321E-02 Delta_et -0.6020939E-02 Pxc 0.4229421E+01 Qxc -0.1511034E+01 3,-1 55 3 +1 -1.896156 0.383462 -1.757445 Rho 0.5362246E-02 |GRAD(Rho)| 0.1336936E-16 GRAD(Rho)x -0.5720716E-18 GRAD(Rho)y 0.1335704E-16 GRAD(Rho)z 0.4433272E-19 Laplacian 0.1841212E-01 (-1/4)Del**2(Rho)) -0.4603031E-02 Diamond 0.3455816E-03 Metallicity 0.6148283E+00 Ellipticity -0.1922183E+01 Gb(Abramov) 0.3540366E-02 Vb(Abramov) -0.2477702E-02 Hb(Abramov) 0.1062665E-02 Ex_ueg -0.6931822E-03 Ec_ueg -0.1625349E-03 Delta_ex -0.8212432E-03 Delta_ec 0.3892943E-03 Delta_et -0.2235414E-02 Pxc 0.4264821E+01 Qxc -0.2109569E+01 3,+1 56 3 +1 -1.835496 0.330353 1.717215 Rho 0.5756991E-02 |GRAD(Rho)| 0.8028479E-17 GRAD(Rho)x -0.2334071E-17 GRAD(Rho)y -0.4206816E-17 GRAD(Rho)z 0.6427386E-17 Laplacian 0.2108323E-01 (-1/4)Del**2(Rho)) -0.5270807E-02 Diamond 0.4644805E-03 Metallicity 0.6044152E+00 Ellipticity -0.2024678E+01 Gb(Abramov) 0.4044830E-02 Vb(Abramov) -0.2818854E-02 Hb(Abramov) 0.1225976E-02 Ex_ueg -0.7620424E-03 Ec_ueg -0.1796333E-03 Delta_ex -0.9775583E-03 Delta_ec 0.4855446E-03 Delta_et -0.2821581E-02 Pxc 0.4242212E+01 Qxc -0.2013323E+01 3,+1 57 3 -1 -1.949213 0.968134 2.370997 Rho 0.8450343E-02 |GRAD(Rho)| 0.1295526E-16 GRAD(Rho)x 0.2983591E-17 GRAD(Rho)y 0.3358212E-17 GRAD(Rho)z -0.1215152E-16 Laplacian 0.3330863E-01 (-1/4)Del**2(Rho)) -0.8327158E-02 Diamond 0.1913927E-02 Metallicity 0.7252933E+00 Ellipticity 0.2141183E+00 Gb(Abramov) 0.6558044E-02 Vb(Abramov) -0.4788930E-02 Hb(Abramov) 0.1769114E-02 Ex_ueg -0.1271211E-02 Ec_ueg -0.2982891E-03 Delta_ex -0.1996297E-02 Delta_ec 0.1328151E-02 Delta_et -0.8334978E-02 Pxc 0.4261674E+01 Qxc -0.1503064E+01 3,-1 58 3 -1 -2.089667 0.973371 -0.739205 Rho 0.3786124E-01 |GRAD(Rho)| 0.1711621E-14 GRAD(Rho)x -0.1222611E-14 GRAD(Rho)y 0.9533177E-15 GRAD(Rho)z -0.7252969E-15 Laplacian 0.1074010E+00 (-1/4)Del**2(Rho)) -0.2685025E-01 Diamond 0.5454690E-01 Metallicity 0.2739027E+01 Ellipticity 0.2241954E-02 Gb(Abramov) 0.3015742E-01 Vb(Abramov) -0.3346460E-01 Hb(Abramov) -0.3307178E-02 Ex_ueg -0.9389553E-02 Ec_ueg -0.1755789E-02 Delta_ex -0.9325256E-02 Delta_ec 0.5128787E-02 Delta_et -0.5037101E-01 Pxc 0.5347770E+01 Qxc -0.1818218E+01 3,-1 59 3 -1 -2.082353 0.944228 0.728886 Rho 0.4198584E-01 |GRAD(Rho)| 0.8066347E-14 GRAD(Rho)x 0.1323284E-14 GRAD(Rho)y 0.6906369E-14 GRAD(Rho)z 0.3951829E-14 Laplacian 0.1136240E+00 (-1/4)Del**2(Rho)) -0.2840601E-01 Diamond 0.6800057E-01 Metallicity 0.3075963E+01 Ellipticity 0.3080728E-02 Gb(Abramov) 0.3349998E-01 Vb(Abramov) -0.3859395E-01 Hb(Abramov) -0.5093969E-02 Ex_ueg -0.1077760E-01 Ec_ueg -0.1976922E-02 Delta_ex -0.1018105E-01 Delta_ec 0.5582870E-02 Delta_et -0.5653638E-01 Pxc 0.5451711E+01 Qxc -0.1823624E+01 3,-1 60 3 +1 -1.426407 -0.069458 1.646473 Rho 0.5867554E-02 |GRAD(Rho)| 0.1579820E-13 GRAD(Rho)x 0.2017428E-15 GRAD(Rho)y 0.9712105E-15 GRAD(Rho)z 0.1576703E-13 Laplacian 0.2143027E-01 (-1/4)Del**2(Rho)) -0.5357567E-02 Diamond 0.5142250E-03 Metallicity 0.6137818E+00 Ellipticity -0.2490487E+01 Gb(Abramov) 0.4119774E-02 Vb(Abramov) -0.2881981E-02 Hb(Abramov) 0.1237793E-02 Ex_ueg -0.7816179E-03 Ec_ueg -0.1844361E-03 Delta_ex -0.1020143E-02 Delta_ec 0.5334847E-03 Delta_et -0.3095584E-02 Pxc 0.4237879E+01 Qxc -0.1912225E+01 3,+1 61 3 +1 -1.522994 1.136427 2.483952 Rho 0.7586152E-02 |GRAD(Rho)| 0.7175710E-14 GRAD(Rho)x -0.4328307E-14 GRAD(Rho)y 0.4366878E-14 GRAD(Rho)z -0.3699588E-14 Laplacian 0.3381060E-01 (-1/4)Del**2(Rho)) -0.8452650E-02 Diamond 0.9841192E-03 Metallicity 0.5969383E+00 Ellipticity -0.1531986E+01 Gb(Abramov) 0.6476052E-02 Vb(Abramov) -0.4499454E-02 Hb(Abramov) 0.1976598E-02 Ex_ueg -0.1100898E-02 Ec_ueg -0.2598486E-03 Delta_ex -0.1614502E-02 Delta_ec 0.6862792E-03 Delta_et -0.4364122E-02 Pxc 0.4236690E+01 Qxc -0.2352544E+01 3,+1 62 3 +1 -1.610147 1.155315 -2.482488 Rho 0.6646096E-02 |GRAD(Rho)| 0.1917719E-14 GRAD(Rho)x 0.1773195E-14 GRAD(Rho)y 0.5632655E-15 GRAD(Rho)z -0.4649272E-15 Laplacian 0.2704194E-01 (-1/4)Del**2(Rho)) -0.6760486E-02 Diamond 0.6519078E-03 Metallicity 0.5986683E+00 Ellipticity -0.1586050E+01 Gb(Abramov) 0.5181538E-02 Vb(Abramov) -0.3602591E-02 Hb(Abramov) 0.1578947E-02 Ex_ueg -0.9228699E-03 Ec_ueg -0.2184246E-03 Delta_ex -0.1248641E-02 Delta_ec 0.5418995E-03 Delta_et -0.3324637E-02 Pxc 0.4225120E+01 Qxc -0.2304192E+01 3,+1 63 3 +1 1.455074 -1.552131 1.711630 Rho 0.2284945E-01 |GRAD(Rho)| 0.1727361E-12 GRAD(Rho)x -0.1692469E-12 GRAD(Rho)y -0.3453381E-13 GRAD(Rho)z 0.8092874E-15 Laplacian 0.8752391E-01 (-1/4)Del**2(Rho)) -0.2188098E-01 Diamond 0.1074777E-01 Metallicity 0.1448592E+01 Ellipticity -0.5045723E+01 Gb(Abramov) 0.1987009E-01 Vb(Abramov) -0.1785919E-01 Hb(Abramov) 0.2010892E-02 Ex_ueg -0.4788719E-02 Ec_ueg -0.9810589E-03 Delta_ex -0.5392221E-02 Delta_ec 0.1623671E-02 Delta_et -0.1397793E-01 Pxc 0.4881174E+01 Qxc -0.3321006E+01 3,+1 64 3 +3 -1.161415 0.684098 -1.783752 Rho 0.4288653E-02 |GRAD(Rho)| 0.3873395E-17 GRAD(Rho)x -0.2319006E-17 GRAD(Rho)y 0.5830053E-18 GRAD(Rho)z 0.3047213E-17 Laplacian 0.1535764E-01 (-1/4)Del**2(Rho)) -0.3839411E-02 Diamond 0.9491991E-04 Metallicity 0.5079529E+00 Ellipticity -0.4036525E+00 Gb(Abramov) 0.2884647E-02 Vb(Abramov) -0.1929884E-02 Hb(Abramov) 0.9547637E-03 Ex_ueg -0.5146117E-03 Ec_ueg -0.1164303E-03 Delta_ex -0.5176678E-03 Delta_ec 0.8388246E-04 Delta_et -0.5988759E-03 Pxc 0.4419913E+01 Qxc -0.6171348E+01 3,+3 65 3 +3 -1.520239 2.028101 0.010108 Rho 0.6467857E-02 |GRAD(Rho)| 0.6187169E-17 GRAD(Rho)x -0.5292445E-17 GRAD(Rho)y 0.3203554E-17 GRAD(Rho)z 0.9127874E-19 Laplacian 0.2758692E-01 (-1/4)Del**2(Rho)) -0.6896731E-02 Diamond 0.3559404E-03 Metallicity 0.5608464E+00 Ellipticity -0.6573052E+00 Gb(Abramov) 0.5242488E-02 Vb(Abramov) -0.3588246E-02 Hb(Abramov) 0.1654242E-02 Ex_ueg -0.8900183E-03 Ec_ueg -0.2106175E-03 Delta_ex -0.1078081E-02 Delta_ec 0.2174765E-03 Delta_et -0.1529214E-02 Pxc 0.4225757E+01 Qxc -0.4957231E+01 3,+3 66 3 +1 0.053445 0.912696 -1.582053 Rho 0.8467838E-02 |GRAD(Rho)| 0.9757716E-15 GRAD(Rho)x -0.2133637E-15 GRAD(Rho)y 0.9457026E-15 GRAD(Rho)z -0.1106919E-15 Laplacian 0.3233990E-01 (-1/4)Del**2(Rho)) -0.8084975E-02 Diamond 0.8269571E-03 Metallicity 0.7495985E+00 Ellipticity -0.1432739E+01 Gb(Abramov) 0.6400064E-02 Vb(Abramov) -0.4715154E-02 Hb(Abramov) 0.1684911E-02 Ex_ueg -0.1274721E-02 Ec_ueg -0.2990707E-03 Delta_ex -0.1462240E-02 Delta_ec 0.4382996E-03 Delta_et -0.2997540E-02 Pxc 0.4262273E+01 Qxc -0.3336166E+01 3,+1 67 3 +1 -1.840188 2.526427 0.025906 Rho 0.7243706E-02 |GRAD(Rho)| 0.1177412E-16 GRAD(Rho)x -0.9680810E-17 GRAD(Rho)y 0.4154208E-17 GRAD(Rho)z -0.5258748E-17 Laplacian 0.3105748E-01 (-1/4)Del**2(Rho)) -0.7764371E-02 Diamond 0.8429134E-03 Metallicity 0.6017022E+00 Ellipticity -0.1534902E+01 Gb(Abramov) 0.5954887E-02 Vb(Abramov) -0.4145403E-02 Hb(Abramov) 0.1809484E-02 Ex_ueg -0.1035141E-02 Ec_ueg -0.2447107E-03 Delta_ex -0.1463726E-02 Delta_ec 0.6240625E-03 Delta_et -0.3921198E-02 Pxc 0.4230060E+01 Qxc -0.2345479E+01 3,+1 68 3 -1 -1.373240 2.691689 -1.614635 Rho 0.1459634E+00 |GRAD(Rho)| 0.7021241E-16 GRAD(Rho)x -0.1843144E-16 GRAD(Rho)y 0.4793529E-16 GRAD(Rho)z 0.4787769E-16 Laplacian 0.5537717E+00 (-1/4)Del**2(Rho)) -0.1384429E+00 Diamond 0.1105179E+01 Metallicity 0.5035266E+01 Ellipticity 0.9220099E-01 Gb(Abramov) 0.2084781E+00 Vb(Abramov) -0.2785133E+00 Hb(Abramov) -0.7003519E-01 Ex_ueg -0.5676018E-01 Ec_ueg -0.8185617E-02 Delta_ex -0.5927080E-01 Delta_ec 0.1449855E-01 Delta_et -0.1930433E+00 Pxc 0.6934135E+01 Qxc -0.4088050E+01 3,-1 69 3 -1 -1.375210 2.651967 1.628050 Rho 0.1476081E+00 |GRAD(Rho)| 0.3447670E-15 GRAD(Rho)x -0.3442342E-15 GRAD(Rho)y -0.1149254E-16 GRAD(Rho)z -0.1533130E-16 Laplacian 0.5651000E+00 (-1/4)Del**2(Rho)) -0.1412750E+00 Diamond 0.1139927E+01 Metallicity 0.5027338E+01 Ellipticity 0.9689815E-01 Gb(Abramov) 0.2125562E+00 Vb(Abramov) -0.2838374E+00 Hb(Abramov) -0.7128119E-01 Ex_ueg -0.5761451E-01 Ec_ueg -0.8290573E-02 Delta_ex -0.6061680E-01 Delta_ec 0.1469765E-01 Delta_et -0.1958951E+00 Pxc 0.6949401E+01 Qxc -0.4124250E+01 3,-1 70 3 -1 -0.343464 -3.120111 -1.570846 Rho 0.1447306E+00 |GRAD(Rho)| 0.1718477E-13 GRAD(Rho)x 0.1566238E-13 GRAD(Rho)y -0.5440527E-15 GRAD(Rho)z -0.7050533E-14 Laplacian 0.5419599E+00 (-1/4)Del**2(Rho)) -0.1354900E+00 Diamond 0.1072473E+01 Metallicity 0.5072788E+01 Ellipticity 0.1097627E+00 Gb(Abramov) 0.2048786E+00 Vb(Abramov) -0.2742673E+00 Hb(Abramov) -0.6938867E-01 Ex_ueg -0.5612189E-01 Ec_ueg -0.8107056E-02 Delta_ex -0.5790600E-01 Delta_ec 0.1425276E-01 Delta_et -0.1896019E+00 Pxc 0.6922598E+01 Qxc -0.4062792E+01 3,-1 71 3 +1 -0.432830 -3.175939 0.047937 Rho 0.1534900E-01 |GRAD(Rho)| 0.4647434E-14 GRAD(Rho)x -0.3957018E-14 GRAD(Rho)y 0.3619733E-15 GRAD(Rho)z 0.2410317E-14 Laplacian 0.7137854E-01 (-1/4)Del**2(Rho)) -0.1784463E-01 Diamond 0.4093223E-02 Metallicity 0.9151924E+00 Ellipticity -0.1454700E+01 Gb(Abramov) 0.1461830E-01 Vb(Abramov) -0.1139197E-01 Hb(Abramov) 0.3226332E-02 Ex_ueg -0.2817249E-02 Ec_ueg -0.6162967E-03 Delta_ex -0.3763305E-02 Delta_ec 0.9570110E-03 Delta_et -0.7595494E-02 Pxc 0.4571254E+01 Qxc -0.3932353E+01 3,+1 72 3 -1 1.499849 -2.724099 1.978436 Rho 0.9284639E-01 |GRAD(Rho)| 0.9985392E-14 GRAD(Rho)x 0.1785898E-14 GRAD(Rho)y 0.9180900E-14 GRAD(Rho)z -0.3497097E-14 Laplacian 0.3723146E+00 (-1/4)Del**2(Rho)) -0.9307866E-01 Diamond 0.4200765E+00 Metallicity 0.3523531E+01 Ellipticity 0.1939791E-02 Gb(Abramov) 0.1167134E+00 Vb(Abramov) -0.1403481E+00 Hb(Abramov) -0.2363471E-01 Ex_ueg -0.3105073E-01 Ec_ueg -0.4893789E-02 Delta_ex -0.3560225E-01 Delta_ec 0.1044036E-01 Delta_et -0.1276314E+00 Pxc 0.6344926E+01 Qxc -0.3410060E+01 3,-1 73 3 +1 -1.437233 -0.069068 -1.690559 Rho 0.5508101E-02 |GRAD(Rho)| 0.5347163E-17 GRAD(Rho)x -0.2220566E-19 GRAD(Rho)y -0.4480705E-18 GRAD(Rho)z -0.5328311E-17 Laplacian 0.1864547E-01 (-1/4)Del**2(Rho)) -0.4661368E-02 Diamond 0.3843574E-03 Metallicity 0.6349061E+00 Ellipticity -0.2352475E+01 Gb(Abramov) 0.3600834E-02 Vb(Abramov) -0.2540300E-02 Hb(Abramov) 0.1060534E-02 Ex_ueg -0.7184351E-03 Ec_ueg -0.1688435E-03 Delta_ex -0.8541314E-03 Delta_ec 0.4255447E-03 Delta_et -0.2443705E-02 Pxc 0.4255034E+01 Qxc -0.2007149E+01 3,+1 74 3 -1 -1.131521 -0.205646 -3.472612 Rho 0.2041115E+00 |GRAD(Rho)| 0.1149275E-15 GRAD(Rho)x -0.9757820E-18 GRAD(Rho)y 0.8612631E-17 GRAD(Rho)z 0.1146002E-15 Laplacian 0.7937411E+00 (-1/4)Del**2(Rho)) -0.1984353E+00 Diamond 0.2299390E+01 Metallicity 0.6142993E+01 Ellipticity 0.1643572E-01 Gb(Abramov) 0.3354546E+00 Vb(Abramov) -0.4724739E+00 Hb(Abramov) -0.1370193E+00 Ex_ueg -0.8875816E-01 Ec_ueg -0.1199363E-01 Delta_ex -0.9189220E-01 Delta_ec 0.1823735E-01 Delta_et -0.2499296E+00 Pxc 0.7400443E+01 Qxc -0.5038681E+01 3,-1 75 3 -1 -1.093147 0.002043 -0.010779 Rho 0.1942927E+00 |GRAD(Rho)| 0.1149342E-13 GRAD(Rho)x 0.1146999E-13 GRAD(Rho)y 0.6886852E-15 GRAD(Rho)z 0.2524836E-15 Laplacian 0.5142096E+00 (-1/4)Del**2(Rho)) -0.1285524E+00 Diamond 0.1390433E+01 Metallicity 0.8734415E+01 Ellipticity 0.7209821E-02 Gb(Abramov) 0.2728400E+00 Vb(Abramov) -0.4171275E+00 Hb(Abramov) -0.1442876E+00 Ex_ueg -0.8311137E-01 Ec_ueg -0.1133699E-01 Delta_ex -0.5868953E-01 Delta_ec 0.1180621E-01 Delta_et -0.1606062E+00 Pxc 0.7330988E+01 Qxc -0.4971073E+01 3,-1 76 3 -1 -1.017238 -0.185268 3.402710 Rho 0.2272860E+00 |GRAD(Rho)| 0.9306137E-14 GRAD(Rho)x -0.8218578E-14 GRAD(Rho)y 0.3838055E-14 GRAD(Rho)z 0.2080503E-14 Laplacian 0.8819703E+00 (-1/4)Del**2(Rho)) -0.2204926E+00 Diamond 0.2885985E+01 Metallicity 0.6613737E+01 Ellipticity 0.1475440E-01 Gb(Abramov) 0.3900417E+00 Vb(Abramov) -0.5595908E+00 Hb(Abramov) -0.1695491E+00 Ex_ueg -0.1024429E+00 Ec_ueg -0.1356466E-01 Delta_ex -0.1048571E+00 Delta_ec 0.1943331E-01 Delta_et -0.2670862E+00 Pxc 0.7552192E+01 Qxc -0.5395739E+01 3,-1 77 3 +3 -1.114605 0.668511 1.740330 Rho 0.4548456E-02 |GRAD(Rho)| 0.3287678E-12 GRAD(Rho)x -0.2020630E-12 GRAD(Rho)y -0.1695703E-12 GRAD(Rho)z -0.1962262E-12 Laplacian 0.1760457E-01 (-1/4)Del**2(Rho)) -0.4401141E-02 Diamond 0.1243039E-03 Metallicity 0.4887587E+00 Ellipticity -0.4547086E+00 Gb(Abramov) 0.3292610E-02 Vb(Abramov) -0.2184079E-02 Hb(Abramov) 0.1108531E-02 Ex_ueg -0.5565921E-03 Ec_ueg -0.1275331E-03 Delta_ex -0.6096743E-03 Delta_ec 0.1082113E-03 Delta_et -0.7532509E-03 Pxc 0.4364296E+01 Qxc -0.5634108E+01 3,+3 78 3 +1 0.626053 3.443548 0.019825 Rho 0.1269848E-01 |GRAD(Rho)| 0.2274612E-16 GRAD(Rho)x -0.1727666E-16 GRAD(Rho)y -0.1295599E-16 GRAD(Rho)z -0.7144611E-17 Laplacian 0.6042064E-01 (-1/4)Del**2(Rho)) -0.1510516E-01 Diamond 0.2031974E-02 Metallicity 0.7882806E+00 Ellipticity -0.1102627E+01 Gb(Abramov) 0.1205462E-01 Vb(Abramov) -0.9004088E-02 Hb(Abramov) 0.3050536E-02 Ex_ueg -0.2188034E-02 Ec_ueg -0.4919086E-03 Delta_ex -0.2858058E-02 Delta_ec 0.5046003E-03 Delta_et -0.4044453E-02 Pxc 0.4448050E+01 Qxc -0.5664005E+01 3,+1 79 3 -1 -0.656418 3.592225 0.812272 Rho 0.1513707E+00 |GRAD(Rho)| 0.1470719E-15 GRAD(Rho)x -0.1222269E-15 GRAD(Rho)y -0.8119319E-16 GRAD(Rho)z -0.9920450E-17 Laplacian 0.5881658E+00 (-1/4)Del**2(Rho)) -0.1470414E+00 Diamond 0.1205149E+01 Metallicity 0.5037127E+01 Ellipticity 0.4916376E-01 Gb(Abramov) 0.2214720E+00 Vb(Abramov) -0.2959026E+00 Hb(Abramov) -0.7443059E-01 Ex_ueg -0.5958094E-01 Ec_ueg -0.8531314E-02 Delta_ex -0.6330629E-01 Delta_ec 0.1489181E-01 Delta_et -0.1984947E+00 Pxc 0.6983794E+01 Qxc -0.4251080E+01 3,-1 80 3 -1 -0.697983 3.835087 2.319665 Rho 0.2380483E+00 |GRAD(Rho)| 0.9521078E-15 GRAD(Rho)x -0.3621506E-15 GRAD(Rho)y 0.6671096E-15 GRAD(Rho)z 0.5747356E-15 Laplacian 0.8847075E+00 (-1/4)Del**2(Rho)) -0.2211769E+00 Diamond 0.3084021E+01 Metallicity 0.7121780E+01 Ellipticity 0.6936313E-02 Gb(Abramov) 0.4099801E+00 Vb(Abramov) -0.5987833E+00 Hb(Abramov) -0.1888032E+00 Ex_ueg -0.1089612E+00 Ec_ueg -0.1430430E-01 Delta_ex -0.1065859E+00 Delta_ec 0.1945348E-01 Delta_et -0.2687853E+00 Pxc 0.7617372E+01 Qxc -0.5479015E+01 3,-1 81 3 -1 -0.109948 2.348643 -0.857687 Rho 0.4819990E-01 |GRAD(Rho)| 0.1996798E-16 GRAD(Rho)x 0.3821601E-17 GRAD(Rho)y -0.1664081E-16 GRAD(Rho)z 0.1035371E-16 Laplacian 0.1866030E+00 (-1/4)Del**2(Rho)) -0.4665074E-01 Diamond 0.8817850E-01 Metallicity 0.2357427E+01 Ellipticity 0.1108284E-01 Gb(Abramov) 0.4942978E-01 Vb(Abramov) -0.5220881E-01 Hb(Abramov) -0.2779037E-02 Ex_ueg -0.1295527E-01 Ec_ueg -0.2315615E-02 Delta_ex -0.1513659E-01 Delta_ec 0.5414792E-02 Delta_et -0.5651508E-01 Pxc 0.5594744E+01 Qxc -0.2795415E+01 3,-1 82 3 +3 0.592232 3.286389 0.016907 Rho 0.1264451E-01 |GRAD(Rho)| 0.1108108E-14 GRAD(Rho)x -0.2526057E-15 GRAD(Rho)y -0.1078914E-14 GRAD(Rho)z -0.6021378E-17 Laplacian 0.5931838E-01 (-1/4)Del**2(Rho)) -0.1482959E-01 Diamond 0.1552775E-02 Metallicity 0.7972490E+00 Ellipticity -0.8499727E+00 Gb(Abramov) 0.1185688E-01 Vb(Abramov) -0.8884158E-02 Hb(Abramov) 0.2972718E-02 Ex_ueg -0.2175644E-02 Ec_ueg -0.4894030E-03 Delta_ex -0.2686584E-02 Delta_ec 0.2882925E-03 Delta_et -0.2548990E-02 Pxc 0.4445505E+01 Qxc -0.9318953E+01 3,+3 83 3 +3 1.737978 0.322488 -0.004263 Rho 0.4108251E-02 |GRAD(Rho)| 0.3440122E-17 GRAD(Rho)x -0.2535690E-17 GRAD(Rho)y 0.1608463E-17 GRAD(Rho)z -0.1678559E-17 Laplacian 0.1607611E-01 (-1/4)Del**2(Rho)) -0.4019029E-02 Diamond 0.1020959E-03 Metallicity 0.4517106E+00 Ellipticity -0.4108390E+00 Gb(Abramov) 0.2981925E-02 Vb(Abramov) -0.1944822E-02 Hb(Abramov) 0.1037103E-02 Ex_ueg -0.4859530E-03 Ec_ueg -0.1087414E-03 Delta_ex -0.5457657E-03 Delta_ec 0.1058730E-03 Delta_et -0.7065852E-03 Pxc 0.4468888E+01 Qxc -0.5154910E+01 3,+3 84 3 -1 0.551089 -1.876118 -1.610072 Rho 0.4397266E-01 |GRAD(Rho)| 0.9247553E-16 GRAD(Rho)x 0.9709697E-17 GRAD(Rho)y -0.9054909E-16 GRAD(Rho)z -0.1607192E-16 Laplacian 0.1721591E+00 (-1/4)Del**2(Rho)) -0.4303978E-01 Diamond 0.7222642E-01 Metallicity 0.2192743E+01 Ellipticity 0.3600196E-01 Gb(Abramov) 0.4442238E-01 Vb(Abramov) -0.4580498E-01 Hb(Abramov) -0.1382602E-02 Ex_ueg -0.1146292E-01 Ec_ueg -0.2084518E-02 Delta_ex -0.1366761E-01 Delta_ec 0.5037495E-02 Delta_et -0.5133264E-01 Pxc 0.5499075E+01 Qxc -0.2713177E+01 3,-1 85 3 +3 1.521693 -1.568471 -0.000019 Rho 0.4386365E-02 |GRAD(Rho)| 0.7309265E-11 GRAD(Rho)x 0.6803668E-11 GRAD(Rho)y 0.2671147E-11 GRAD(Rho)z -0.2053300E-13 Laplacian 0.1795109E-01 (-1/4)Del**2(Rho)) -0.4487773E-02 Diamond 0.1320721E-03 Metallicity 0.4511942E+00 Ellipticity -0.2700334E+00 Gb(Abramov) 0.3329325E-02 Vb(Abramov) -0.2170877E-02 Hb(Abramov) 0.1158448E-02 Ex_ueg -0.5303038E-03 Ec_ueg -0.1206019E-03 Delta_ex -0.6283092E-03 Delta_ec 0.1329158E-03 Delta_et -0.8709281E-03 Pxc 0.4397143E+01 Qxc -0.4727121E+01 3,+3 86 3 -1 -0.121366 -0.033399 -4.606097 Rho 0.2010194E+00 |GRAD(Rho)| 0.7327390E-15 GRAD(Rho)x -0.2361663E-15 GRAD(Rho)y 0.5193328E-15 GRAD(Rho)z 0.4598101E-15 Laplacian 0.7596668E+00 (-1/4)Del**2(Rho)) -0.1899167E+00 Diamond 0.2176620E+01 Metallicity 0.6257293E+01 Ellipticity 0.2227315E-01 Gb(Abramov) 0.3246719E+00 Vb(Abramov) -0.4594270E+00 Hb(Abramov) -0.1347552E+00 Ex_ueg -0.8696989E-01 Ec_ueg -0.1178626E-01 Delta_ex -0.8771151E-01 Delta_ec 0.1772037E-01 Delta_et -0.2432502E+00 Pxc 0.7378921E+01 Qxc -0.4949757E+01 3,-1 87 3 -1 -0.643833 3.584422 -0.796143 Rho 0.1185199E+00 |GRAD(Rho)| 0.2766952E-15 GRAD(Rho)x -0.7503357E-16 GRAD(Rho)y 0.5355959E-16 GRAD(Rho)z 0.2608861E-15 Laplacian 0.4629126E+00 (-1/4)Del**2(Rho)) -0.1157281E+00 Diamond 0.7061662E+00 Metallicity 0.4256963E+01 Ellipticity 0.2432554E-01 Gb(Abramov) 0.1592605E+00 Vb(Abramov) -0.2027929E+00 Hb(Abramov) -0.4353236E-01 Ex_ueg -0.4299721E-01 Ec_ueg -0.6459983E-02 Delta_ex -0.4694939E-01 Delta_ec 0.1241320E-01 Delta_et -0.1591760E+00 Pxc 0.6655933E+01 Qxc -0.3782214E+01 3,-1 88 3 +1 1.404922 0.650409 0.877636 Rho 0.6575494E-02 |GRAD(Rho)| 0.3061615E-14 GRAD(Rho)x 0.1190370E-14 GRAD(Rho)y -0.2182974E-14 GRAD(Rho)z 0.1786373E-14 Laplacian 0.2560806E-01 (-1/4)Del**2(Rho)) -0.6402016E-02 Diamond 0.4880239E-03 Metallicity 0.6210364E+00 Ellipticity -0.1372235E+01 Gb(Abramov) 0.4930658E-02 Vb(Abramov) -0.3459300E-02 Hb(Abramov) 0.1471358E-02 Ex_ueg -0.9098216E-03 Ec_ueg -0.2153303E-03 Delta_ex -0.1101909E-02 Delta_ec 0.3745559E-03 Delta_et -0.2375591E-02 Pxc 0.4225237E+01 Qxc -0.2941908E+01 3,+1 89 3 +1 -0.308131 2.795791 -0.092442 Rho 0.2789843E-01 |GRAD(Rho)| 0.1396752E-15 GRAD(Rho)x -0.3741682E-16 GRAD(Rho)y 0.1152603E-15 GRAD(Rho)z -0.6945641E-16 Laplacian 0.1082898E+00 (-1/4)Del**2(Rho)) -0.2707244E-01 Diamond 0.1638630E-01 Metallicity 0.1633022E+01 Ellipticity -0.4489491E+01 Gb(Abramov) 0.2541661E-01 Vb(Abramov) -0.2376078E-01 Hb(Abramov) 0.1655830E-02 Ex_ueg -0.6249205E-02 Ec_ueg -0.1235724E-02 Delta_ex -0.6927877E-02 Delta_ec 0.1823093E-02 Delta_et -0.1652852E-01 Pxc 0.5057119E+01 Qxc -0.3800068E+01 3,+1 90 3 +1 0.069779 0.906651 1.526923 Rho 0.8947871E-02 |GRAD(Rho)| 0.7976348E-17 GRAD(Rho)x -0.3357020E-17 GRAD(Rho)y 0.6307212E-17 GRAD(Rho)z -0.3545647E-17 Laplacian 0.3505276E-01 (-1/4)Del**2(Rho)) -0.8763189E-02 Diamond 0.9541830E-03 Metallicity 0.7581535E+00 Ellipticity -0.1413866E+01 Gb(Abramov) 0.6949433E-02 Vb(Abramov) -0.5135677E-02 Hb(Abramov) 0.1813756E-02 Ex_ueg -0.1371970E-02 Ec_ueg -0.3205715E-03 Delta_ex -0.1602155E-02 Delta_ec 0.4657959E-03 Delta_et -0.3238302E-02 Pxc 0.4279763E+01 Qxc -0.3439607E+01 3,+1 91 3 -1 -0.676400 3.865146 -2.305551 Rho 0.2369938E+00 |GRAD(Rho)| 0.1783989E-13 GRAD(Rho)x 0.1152201E-13 GRAD(Rho)y 0.1209872E-13 GRAD(Rho)z -0.6255088E-14 Laplacian 0.8802710E+00 (-1/4)Del**2(Rho)) -0.2200678E+00 Diamond 0.3053196E+01 Metallicity 0.7104905E+01 Ellipticity 0.8188139E-02 Gb(Abramov) 0.4073053E+00 Vb(Abramov) -0.5945428E+00 Hb(Abramov) -0.1872375E+00 Ex_ueg -0.1083181E+00 Ec_ueg -0.1423155E-01 Delta_ex -0.1059339E+00 Delta_ec 0.1939098E-01 Delta_et -0.2679237E+00 Pxc 0.7611124E+01 Qxc -0.5463049E+01 3,-1 92 3 -1 -0.120586 2.350892 0.836232 Rho 0.4819066E-01 |GRAD(Rho)| 0.1715529E-13 GRAD(Rho)x 0.1581504E-13 GRAD(Rho)y -0.4788222E-15 GRAD(Rho)z -0.6630172E-14 Laplacian 0.1871844E+00 (-1/4)Del**2(Rho)) -0.4679609E-01 Diamond 0.8836192E-01 Metallicity 0.2349354E+01 Ellipticity 0.1599066E-01 Gb(Abramov) 0.4952082E-01 Vb(Abramov) -0.5224555E-01 Hb(Abramov) -0.2724730E-02 Ex_ueg -0.1295196E-01 Ec_ueg -0.2315107E-02 Delta_ex -0.1517993E-01 Delta_ec 0.5426154E-02 Delta_et -0.5662940E-01 Pxc 0.5594541E+01 Qxc -0.2797549E+01 3,-1 93 3 -1 1.713132 -0.636536 -1.633271 Rho 0.3215165E-01 |GRAD(Rho)| 0.1761859E-15 GRAD(Rho)x 0.1715207E-15 GRAD(Rho)y 0.1146254E-16 GRAD(Rho)z -0.3861001E-16 Laplacian 0.1202698E+00 (-1/4)Del**2(Rho)) -0.3006744E-01 Diamond 0.3161766E-01 Metallicity 0.1862639E+01 Ellipticity 0.9405814E-01 Gb(Abramov) 0.2937909E-01 Vb(Abramov) -0.2869075E-01 Hb(Abramov) 0.6883467E-03 Ex_ueg -0.7550737E-02 Ec_ueg -0.1455116E-02 Delta_ex -0.8731937E-02 Delta_ec 0.3340013E-02 Delta_et -0.3127570E-01 Pxc 0.5189095E+01 Qxc -0.2614343E+01 3,-1 94 3 -1 -0.009163 0.847291 3.215004 Rho 0.1340097E+00 |GRAD(Rho)| 0.5071552E-14 GRAD(Rho)x -0.4454302E-14 GRAD(Rho)y 0.2359549E-14 GRAD(Rho)z -0.5588927E-15 Laplacian 0.5527681E+00 (-1/4)Del**2(Rho)) -0.1381920E+00 Diamond 0.9835831E+00 Metallicity 0.4374860E+01 Ellipticity 0.2971216E-02 Gb(Abramov) 0.1928898E+00 Vb(Abramov) -0.2475876E+00 Hb(Abramov) -0.5469778E-01 Ex_ueg -0.5064854E-01 Ec_ueg -0.7427905E-02 Delta_ex -0.5781274E-01 Delta_ec 0.1452562E-01 Delta_et -0.1903667E+00 Pxc 0.6818684E+01 Qxc -0.3980054E+01 3,-1 95 3 +3 1.148704 1.043207 1.622538 Rho 0.4219762E-02 |GRAD(Rho)| 0.1079953E-13 GRAD(Rho)x -0.9496005E-14 GRAD(Rho)y -0.4796207E-14 GRAD(Rho)z 0.1857981E-14 Laplacian 0.1728304E-01 (-1/4)Del**2(Rho)) -0.4320760E-02 Diamond 0.1295247E-03 Metallicity 0.4393456E+00 Ellipticity -0.2908950E+00 Gb(Abramov) 0.3196891E-02 Vb(Abramov) -0.2073022E-02 Hb(Abramov) 0.1123869E-02 Ex_ueg -0.5036193E-03 Ec_ueg -0.1134921E-03 Delta_ex -0.6091780E-03 Delta_ec 0.1464418E-03 Delta_et -0.9189971E-03 Pxc 0.4437485E+01 Qxc -0.4159865E+01 3,+3 96 3 +1 0.299963 -1.395801 2.414026 Rho 0.2947592E-01 |GRAD(Rho)| 0.1813175E-15 GRAD(Rho)x -0.4029577E-16 GRAD(Rho)y -0.3885124E-16 GRAD(Rho)z 0.1724612E-15 Laplacian 0.1214542E+00 (-1/4)Del**2(Rho)) -0.3036354E-01 Diamond 0.2180400E-01 Metallicity 0.1595804E+01 Ellipticity -0.1057723E+02 Gb(Abramov) 0.2831807E-01 Vb(Abramov) -0.2627260E-01 Hb(Abramov) 0.2045469E-02 Ex_ueg -0.6724729E-02 Ec_ueg -0.1316606E-02 Delta_ex -0.8058698E-02 Delta_ec 0.2352683E-02 Delta_et -0.2157855E-01 Pxc 0.5107624E+01 Qxc -0.3425323E+01 3,+1 97 3 +3 1.313782 -1.378777 -2.735984 Rho 0.1106171E-01 |GRAD(Rho)| 0.6916516E-17 GRAD(Rho)x 0.4771107E-17 GRAD(Rho)y -0.4980250E-17 GRAD(Rho)z 0.5213796E-18 Laplacian 0.4858719E-01 (-1/4)Del**2(Rho)) -0.1214680E-01 Diamond 0.1125209E-02 Metallicity 0.7788647E+00 Ellipticity -0.8203362E+00 Gb(Abramov) 0.9674651E-02 Vb(Abramov) -0.7202504E-02 Hb(Abramov) 0.2472147E-02 Ex_ueg -0.1820322E-02 Ec_ueg -0.4164295E-03 Delta_ex -0.2139231E-02 Delta_ec 0.2763258E-03 Delta_et -0.2314535E-02 Pxc 0.4371261E+01 Qxc -0.7741697E+01 3,+3 98 3 +1 2.070031 -2.074691 0.214680 Rho 0.5720966E-02 |GRAD(Rho)| 0.1037558E-15 GRAD(Rho)x 0.2006213E-16 GRAD(Rho)y -0.4109567E-17 GRAD(Rho)z 0.1017147E-15 Laplacian 0.2359678E-01 (-1/4)Del**2(Rho)) -0.5899194E-02 Diamond 0.6522161E-03 Metallicity 0.5344119E+00 Ellipticity -0.3287965E+01 Gb(Abramov) 0.4458229E-02 Vb(Abramov) -0.3017265E-02 Hb(Abramov) 0.1440965E-02 Ex_ueg -0.7556910E-03 Ec_ueg -0.1780696E-03 Delta_ex -0.1198714E-02 Delta_ec 0.7328650E-03 Delta_et -0.4148186E-02 Pxc 0.4243794E+01 Qxc -0.1635654E+01 3,+1 99 3 -1 -0.005295 -1.232077 -3.542670 Rho 0.9717633E-01 |GRAD(Rho)| 0.6996298E-16 GRAD(Rho)x -0.2835358E-16 GRAD(Rho)y 0.3754050E-16 GRAD(Rho)z -0.5178421E-16 Laplacian 0.4022090E+00 (-1/4)Del**2(Rho)) -0.1005522E+00 Diamond 0.5042069E+00 Metallicity 0.3519078E+01 Ellipticity 0.1443937E-01 Gb(Abramov) 0.1260100E+00 Vb(Abramov) -0.1514678E+00 Hb(Abramov) -0.2545779E-01 Ex_ueg -0.3299634E-01 Ec_ueg -0.5154324E-02 Delta_ex -0.3930883E-01 Delta_ec 0.1195148E-01 Delta_et -0.1483863E+00 Pxc 0.6401681E+01 Qxc -0.3289034E+01 3,-1 100 3 +1 0.541921 -1.743909 -0.011220 Rho 0.8153607E-02 |GRAD(Rho)| 0.1781927E-16 GRAD(Rho)x -0.1135282E-16 GRAD(Rho)y 0.3476680E-17 GRAD(Rho)z -0.1328730E-16 Laplacian 0.3257792E-01 (-1/4)Del**2(Rho)) -0.8144479E-02 Diamond 0.7983236E-03 Metallicity 0.6986712E+00 Ellipticity -0.1382196E+01 Gb(Abramov) 0.6378038E-02 Vb(Abramov) -0.4611597E-02 Hb(Abramov) 0.1766441E-02 Ex_ueg -0.1212043E-02 Ec_ueg -0.2850517E-03 Delta_ex -0.1462370E-02 Delta_ec 0.4476806E-03 Delta_et -0.3027021E-02 Pxc 0.4252011E+01 Qxc -0.3266548E+01 3,+1 101 3 -1 0.066515 -1.153517 3.529968 Rho 0.1297571E+00 |GRAD(Rho)| 0.8160327E-14 GRAD(Rho)x 0.6995499E-14 GRAD(Rho)y 0.4194128E-14 GRAD(Rho)z -0.2514366E-15 Laplacian 0.4965072E+00 (-1/4)Del**2(Rho)) -0.1241268E+00 Diamond 0.8544865E+00 Metallicity 0.4615721E+01 Ellipticity 0.3323099E-01 Gb(Abramov) 0.1782403E+00 Vb(Abramov) -0.2323538E+00 Hb(Abramov) -0.5411352E-01 Ex_ueg -0.4851693E-01 Ec_ueg -0.7160564E-02 Delta_ex -0.5158173E-01 Delta_ec 0.1324716E-01 Delta_et -0.1728913E+00 Pxc 0.6775574E+01 Qxc -0.3893796E+01 3,-1 102 3 +1 0.222773 -1.180888 -2.577284 Rho 0.2547033E-01 |GRAD(Rho)| 0.1463755E-15 GRAD(Rho)x -0.1037357E-15 GRAD(Rho)y 0.4069028E-16 GRAD(Rho)z -0.9491567E-16 Laplacian 0.9806885E-01 (-1/4)Del**2(Rho)) -0.2451721E-01 Diamond 0.1137630E-01 Metallicity 0.1549315E+01 Ellipticity -0.2305038E+01 Gb(Abramov) 0.2267562E-01 Vb(Abramov) -0.2083403E-01 Hb(Abramov) 0.1841591E-02 Ex_ueg -0.5534747E-02 Ec_ueg -0.1112423E-02 Delta_ex -0.5940875E-02 Delta_ec 0.1326830E-02 Delta_et -0.1183937E-01 Pxc 0.4975395E+01 Qxc -0.4477495E+01 3,+1 103 3 -1 0.188558 -0.420315 2.433466 Rho 0.5022948E-01 |GRAD(Rho)| 0.1335655E-13 GRAD(Rho)x 0.1198350E-13 GRAD(Rho)y 0.1531447E-14 GRAD(Rho)z 0.5696315E-14 Laplacian 0.1960655E+00 (-1/4)Del**2(Rho)) -0.4901637E-01 Diamond 0.9991338E-01 Metallicity 0.2403311E+01 Ellipticity 0.1288677E-01 Gb(Abramov) 0.5231117E-01 Vb(Abramov) -0.5560597E-01 Hb(Abramov) -0.3294804E-02 Ex_ueg -0.1368769E-01 Ec_ueg -0.2427563E-02 Delta_ex -0.1615305E-01 Delta_ec 0.5834260E-02 Delta_et -0.6159252E-01 Pxc 0.5638447E+01 Qxc -0.2768654E+01 3,-1 104 3 -1 -0.211122 2.404831 -2.376774 Rho 0.1706360E+00 |GRAD(Rho)| 0.3235607E-13 GRAD(Rho)x 0.2886131E-13 GRAD(Rho)y -0.4270618E-14 GRAD(Rho)z -0.1398935E-13 Laplacian 0.7048224E+00 (-1/4)Del**2(Rho)) -0.1762056E+00 Diamond 0.1647095E+01 Metallicity 0.5132371E+01 Ellipticity 0.1428742E-01 Gb(Abramov) 0.2681958E+00 Vb(Abramov) -0.3601860E+00 Hb(Abramov) -0.9199023E-01 Ex_ueg -0.6990036E-01 Ec_ueg -0.9777354E-02 Delta_ex -0.7797812E-01 Delta_ec 0.1700333E-01 Delta_et -0.2292559E+00 Pxc 0.7149210E+01 Qxc -0.4586050E+01 3,-1 105 3 -1 -0.197807 2.370672 2.338174 Rho 0.1389427E+00 |GRAD(Rho)| 0.1700759E-15 GRAD(Rho)x 0.2163661E-16 GRAD(Rho)y -0.1685257E-15 GRAD(Rho)z 0.7535205E-17 Laplacian 0.5803803E+00 (-1/4)Del**2(Rho)) -0.1450951E+00 Diamond 0.1067099E+01 Metallicity 0.4425474E+01 Ellipticity 0.9559581E-02 Gb(Abramov) 0.2037491E+00 Vb(Abramov) -0.2624032E+00 Hb(Abramov) -0.5865407E-01 Ex_ueg -0.5314950E-01 Ec_ueg -0.7739487E-02 Delta_ex -0.6110830E-01 Delta_ec 0.1489326E-01 Delta_et -0.1958303E+00 Pxc 0.6867316E+01 Qxc -0.4103083E+01 3,-1 106 3 +1 0.919972 2.535997 -0.600153 Rho 0.2802333E-01 |GRAD(Rho)| 0.2948896E-14 GRAD(Rho)x 0.5805718E-15 GRAD(Rho)y 0.1089250E-14 GRAD(Rho)z 0.2678144E-14 Laplacian 0.1114598E+00 (-1/4)Del**2(Rho)) -0.2786494E-01 Diamond 0.1761838E-01 Metallicity 0.1598434E+01 Ellipticity -0.5248076E+01 Gb(Abramov) 0.2600001E-01 Vb(Abramov) -0.2413507E-01 Hb(Abramov) 0.1864936E-02 Ex_ueg -0.6286536E-02 Ec_ueg -0.1242107E-02 Delta_ex -0.7199726E-02 Delta_ec 0.1984413E-02 Delta_et -0.1799442E-01 Pxc 0.5061189E+01 Qxc -0.3628140E+01 3,+1 107 3 -1 0.145851 -0.429690 -2.462366 Rho 0.4305472E-01 |GRAD(Rho)| 0.8564617E-14 GRAD(Rho)x 0.2757651E-14 GRAD(Rho)y 0.7972913E-14 GRAD(Rho)z -0.1476714E-14 Laplacian 0.1798862E+00 (-1/4)Del**2(Rho)) -0.4497155E-01 Diamond 0.8058483E-01 Metallicity 0.2026049E+01 Ellipticity 0.9929519E-02 Gb(Abramov) 0.4516679E-01 Vb(Abramov) -0.4536204E-01 Hb(Abramov) -0.1952446E-03 Ex_ueg -0.1114498E-01 Ec_ueg -0.2034723E-02 Delta_ex -0.1458736E-01 Delta_ec 0.5945490E-02 Delta_et -0.6036256E-01 Pxc 0.5477396E+01 Qxc -0.2453516E+01 3,-1 108 3 -1 0.094178 -0.367757 -0.675740 Rho 0.1745987E+00 |GRAD(Rho)| 0.6358708E-13 GRAD(Rho)x -0.2684138E-13 GRAD(Rho)y 0.2816844E-13 GRAD(Rho)z 0.5029310E-13 Laplacian 0.4407157E+00 (-1/4)Del**2(Rho)) -0.1101789E+00 Diamond 0.1091237E+01 Metallicity 0.8528183E+01 Ellipticity 0.6837198E-02 Gb(Abramov) 0.2300570E+00 Vb(Abramov) -0.3499350E+00 Hb(Abramov) -0.1198780E+00 Ex_ueg -0.7207310E-01 Ec_ueg -0.1003637E-01 Delta_ex -0.4930535E-01 Delta_ec 0.1104089E-01 Delta_et -0.1506113E+00 Pxc 0.7181194E+01 Qxc -0.4465705E+01 3,-1 109 3 -1 0.083802 -0.372404 0.654229 Rho 0.1708482E+00 |GRAD(Rho)| 0.3628121E-14 GRAD(Rho)x -0.1538700E-14 GRAD(Rho)y 0.1353084E-14 GRAD(Rho)z -0.2994133E-14 Laplacian 0.4244093E+00 (-1/4)Del**2(Rho)) -0.1061023E+00 Diamond 0.1027692E+01 Metallicity 0.8541070E+01 Ellipticity 0.9934566E-02 Gb(Abramov) 0.2217728E+00 Vb(Abramov) -0.3374433E+00 Hb(Abramov) -0.1156705E+00 Ex_ueg -0.7001627E-01 Ec_ueg -0.9791198E-02 Delta_ex -0.4725740E-01 Delta_ec 0.1074977E-01 Delta_et -0.1464132E+00 Pxc 0.7150939E+01 Qxc -0.4396132E+01 3,-1 110 3 -1 0.527810 3.336021 -1.508197 Rho 0.1438188E+00 |GRAD(Rho)| 0.1291483E-13 GRAD(Rho)x 0.7084421E-14 GRAD(Rho)y -0.7597713E-14 GRAD(Rho)z 0.7673238E-14 Laplacian 0.5646237E+00 (-1/4)Del**2(Rho)) -0.1411559E+00 Diamond 0.1090781E+01 Metallicity 0.4818150E+01 Ellipticity 0.3619725E-01 Gb(Abramov) 0.2074557E+00 Vb(Abramov) -0.2737555E+00 Hb(Abramov) -0.6629976E-01 Ex_ueg -0.5565097E-01 Ec_ueg -0.8049012E-02 Delta_ex -0.6004429E-01 Delta_ec 0.1453126E-01 Delta_et -0.1924028E+00 Pxc 0.6914013E+01 Qxc -0.4132077E+01 3,-1 111 3 -1 0.520401 3.326346 1.525235 Rho 0.1415395E+00 |GRAD(Rho)| 0.6225652E-13 GRAD(Rho)x -0.1735480E-13 GRAD(Rho)y -0.4524647E-13 GRAD(Rho)z 0.3908251E-13 Laplacian 0.5576274E+00 (-1/4)Del**2(Rho)) -0.1394069E+00 Diamond 0.1056136E+01 Metallicity 0.4750416E+01 Ellipticity 0.3407339E-01 Gb(Abramov) 0.2033113E+00 Vb(Abramov) -0.2672158E+00 Hb(Abramov) -0.6390447E-01 Ex_ueg -0.5447808E-01 Ec_ueg -0.7904137E-02 Delta_ex -0.5906256E-01 Delta_ec 0.1439481E-01 Delta_et -0.1901182E+00 Pxc 0.6892350E+01 Qxc -0.4103045E+01 3,-1 112 3 -1 0.822054 -3.190662 -0.878357 Rho 0.1348464E+00 |GRAD(Rho)| 0.4716150E-15 GRAD(Rho)x -0.6417122E-16 GRAD(Rho)y -0.8998370E-16 GRAD(Rho)z -0.4584820E-15 Laplacian 0.5635900E+00 (-1/4)Del**2(Rho)) -0.1408975E+00 Diamond 0.1002161E+01 Metallicity 0.4335597E+01 Ellipticity 0.1251042E-01 Gb(Abramov) 0.1957441E+00 Vb(Abramov) -0.2505908E+00 Hb(Abramov) -0.5484664E-01 Ex_ueg -0.5107060E-01 Ec_ueg -0.7480642E-02 Delta_ex -0.5893916E-01 Delta_ec 0.1461968E-01 Delta_et -0.1914599E+00 Pxc 0.6827034E+01 Qxc -0.4031494E+01 3,-1 113 3 -1 0.745465 -3.185568 0.877922 Rho 0.1380069E+00 |GRAD(Rho)| 0.2319194E-15 GRAD(Rho)x -0.1226504E-15 GRAD(Rho)y -0.6878755E-16 GRAD(Rho)z 0.1844228E-15 Laplacian 0.5641013E+00 (-1/4)Del**2(Rho)) -0.1410253E+00 Diamond 0.1039471E+01 Metallicity 0.4502191E+01 Ellipticity 0.1461831E-01 Gb(Abramov) 0.1998374E+00 Vb(Abramov) -0.2586494E+00 Hb(Abramov) -0.5881205E-01 Ex_ueg -0.5267275E-01 Ec_ueg -0.7680259E-02 Delta_ex -0.5941559E-01 Delta_ec 0.1471183E-01 Delta_et -0.1936844E+00 Pxc 0.6858200E+01 Qxc -0.4038626E+01 3,-1 114 3 -1 0.605129 -3.950584 2.224437 Rho 0.2304720E+00 |GRAD(Rho)| 0.1436834E-12 GRAD(Rho)x -0.2211596E-13 GRAD(Rho)y 0.1315998E-12 GRAD(Rho)z -0.5326636E-13 Laplacian 0.8524216E+00 (-1/4)Del**2(Rho)) -0.2131054E+00 Diamond 0.2867945E+01 Metallicity 0.7003617E+01 Ellipticity 0.1119413E-01 Gb(Abramov) 0.3908217E+00 Vb(Abramov) -0.5685380E+00 Hb(Abramov) -0.1777163E+00 Ex_ueg -0.1043621E+00 Ec_ueg -0.1378296E-01 Delta_ex -0.1018894E+00 Delta_ec 0.1902216E-01 Delta_et -0.2629274E+00 Pxc 0.7571819E+01 Qxc -0.5356355E+01 3,-1 115 3 -1 0.368901 -2.606486 -2.730747 Rho 0.1681594E+00 |GRAD(Rho)| 0.3654116E-13 GRAD(Rho)x -0.3458984E-13 GRAD(Rho)y -0.1721971E-14 GRAD(Rho)z -0.1165477E-13 Laplacian 0.6686639E+00 (-1/4)Del**2(Rho)) -0.1671660E+00 Diamond 0.1544548E+01 Metallicity 0.5279676E+01 Ellipticity 0.5860034E-01 Gb(Abramov) 0.2585410E+00 Vb(Abramov) -0.3499161E+00 Hb(Abramov) -0.9137505E-01 Ex_ueg -0.6855093E-01 Ec_ueg -0.9615940E-02 Delta_ex -0.7378544E-01 Delta_ec 0.1633222E-01 Delta_et -0.2202335E+00 Pxc 0.7128885E+01 Qxc -0.4517784E+01 3,-1 116 3 -1 0.316366 -2.533559 2.728984 Rho 0.1412870E+00 |GRAD(Rho)| 0.4744154E-13 GRAD(Rho)x 0.8368110E-15 GRAD(Rho)y -0.4602112E-13 GRAD(Rho)z -0.1149159E-13 Laplacian 0.5506073E+00 (-1/4)Del**2(Rho)) -0.1376518E+00 Diamond 0.1043172E+01 Metallicity 0.4796691E+01 Ellipticity 0.4953593E-01 Gb(Abramov) 0.2018134E+00 Vb(Abramov) -0.2659751E+00 Hb(Abramov) -0.6416161E-01 Ex_ueg -0.5434858E-01 Ec_ueg -0.7888114E-02 Delta_ex -0.5832132E-01 Delta_ec 0.1426919E-01 Delta_et -0.1885127E+00 Pxc 0.6889933E+01 Qxc -0.4087220E+01 3,-1 117 3 -1 0.455061 -1.876548 1.588675 Rho 0.4723741E-01 |GRAD(Rho)| 0.2416639E-12 GRAD(Rho)x -0.4976197E-13 GRAD(Rho)y 0.1572718E-12 GRAD(Rho)z 0.1766091E-12 Laplacian 0.1854569E+00 (-1/4)Del**2(Rho)) -0.4636422E-01 Diamond 0.8656403E-01 Metallicity 0.2293579E+01 Ellipticity 0.2022128E-01 Gb(Abramov) 0.4863282E-01 Vb(Abramov) -0.5090141E-01 Hb(Abramov) -0.2268594E-02 Ex_ueg -0.1261149E-01 Ec_ueg -0.2262747E-02 Delta_ex -0.1502764E-01 Delta_ec 0.5490145E-02 Delta_et -0.5702689E-01 Pxc 0.5573533E+01 Qxc -0.2737202E+01 3,-1 118 3 +1 1.556465 -0.671812 0.006085 Rho 0.7078059E-02 |GRAD(Rho)| 0.7412214E-13 GRAD(Rho)x 0.2583984E-13 GRAD(Rho)y 0.5945622E-13 GRAD(Rho)z -0.3593539E-13 Laplacian 0.2756183E-01 (-1/4)Del**2(Rho)) -0.6890457E-02 Diamond 0.5862797E-03 Metallicity 0.6523722E+00 Ellipticity -0.1408849E+01 Gb(Abramov) 0.5342828E-02 Vb(Abramov) -0.3795200E-02 Hb(Abramov) 0.1547628E-02 Ex_ueg -0.1003700E-02 Ec_ueg -0.2374078E-03 Delta_ex -0.1211028E-02 Delta_ec 0.4091570E-03 Delta_et -0.2640904E-02 Pxc 0.4227746E+01 Qxc -0.2959814E+01 3,+1 119 3 +1 1.494364 1.309648 2.170533 Rho 0.5194701E-02 |GRAD(Rho)| 0.2025191E-16 GRAD(Rho)x 0.3927689E-17 GRAD(Rho)y -0.1473527E-16 GRAD(Rho)z 0.1332609E-16 Laplacian 0.2114012E-01 (-1/4)Del**2(Rho)) -0.5285031E-02 Diamond 0.5120388E-03 Metallicity 0.5078943E+00 Ellipticity -0.2892143E+01 Gb(Abramov) 0.3970727E-02 Vb(Abramov) -0.2656423E-02 Hb(Abramov) 0.1314304E-02 Ex_ueg -0.6644554E-03 Ec_ueg -0.1553012E-03 Delta_ex -0.1052747E-02 Delta_ec 0.6547655E-03 Delta_et -0.3601335E-02 Pxc 0.4278495E+01 Qxc -0.1607822E+01 3,+1 120 3 +1 1.573628 -1.412911 -1.714201 Rho 0.2298593E-01 |GRAD(Rho)| 0.1411597E-14 GRAD(Rho)x 0.1280469E-14 GRAD(Rho)y 0.5595548E-15 GRAD(Rho)z 0.1997615E-15 Laplacian 0.8652180E-01 (-1/4)Del**2(Rho)) -0.2163045E-01 Diamond 0.9950418E-02 Metallicity 0.1479987E+01 Ellipticity -0.3521580E+01 Gb(Abramov) 0.1975576E-01 Vb(Abramov) -0.1788108E-01 Hb(Abramov) 0.1874687E-02 Ex_ueg -0.4826896E-02 Ec_ueg -0.9878535E-03 Delta_ex -0.5246290E-02 Delta_ec 0.1439916E-02 Delta_et -0.1245845E-01 Pxc 0.4886246E+01 Qxc -0.3643469E+01 3,+1 121 3 +1 1.435988 -1.464493 2.854300 Rho 0.1202063E-01 |GRAD(Rho)| 0.3123192E-16 GRAD(Rho)x 0.2448339E-16 GRAD(Rho)y 0.1555611E-16 GRAD(Rho)z -0.1157601E-16 Laplacian 0.5543176E-01 (-1/4)Del**2(Rho)) -0.1385794E-01 Diamond 0.1862503E-02 Metallicity 0.7841509E+00 Ellipticity -0.1175147E+01 Gb(Abramov) 0.1104975E-01 Vb(Abramov) -0.8241552E-02 Hb(Abramov) 0.2808194E-02 Ex_ueg -0.2033704E-02 Ec_ueg -0.4605213E-03 Delta_ex -0.2621034E-02 Delta_ec 0.5321847E-03 Delta_et -0.4135993E-02 Pxc 0.4416092E+01 Qxc -0.4925045E+01 3,+1 122 3 +1 1.468422 1.292868 -2.231207 Rho 0.4671951E-02 |GRAD(Rho)| 0.1940488E-14 GRAD(Rho)x 0.5623262E-15 GRAD(Rho)y -0.1601165E-14 GRAD(Rho)z -0.9410373E-15 Laplacian 0.1873965E-01 (-1/4)Del**2(Rho)) -0.4684913E-02 Diamond 0.3702374E-03 Metallicity 0.4801189E+00 Ellipticity -0.2133765E+01 Gb(Abramov) 0.3498161E-02 Vb(Abramov) -0.2311409E-02 Hb(Abramov) 0.1186752E-02 Ex_ueg -0.5768321E-03 Ec_ueg -0.1328229E-03 Delta_ex -0.8905083E-03 Delta_ec 0.5380488E-03 Delta_et -0.2884257E-02 Pxc 0.4342865E+01 Qxc -0.1655070E+01 3,+1 123 3 +1 1.258357 -0.426752 2.354160 Rho 0.2424198E-01 |GRAD(Rho)| 0.1338312E-15 GRAD(Rho)x 0.7663522E-16 GRAD(Rho)y -0.1089340E-15 GRAD(Rho)z 0.1308520E-16 Laplacian 0.9589850E-01 (-1/4)Del**2(Rho)) -0.2397463E-01 Diamond 0.1339584E-01 Metallicity 0.1459088E+01 Ellipticity -0.8430822E+01 Gb(Abramov) 0.2181327E-01 Vb(Abramov) -0.1965191E-01 Hb(Abramov) 0.2161360E-02 Ex_ueg -0.5181743E-02 Ec_ueg -0.1050625E-02 Delta_ex -0.6071026E-02 Delta_ec 0.1904883E-02 Delta_et -0.1661799E-01 Pxc 0.4932056E+01 Qxc -0.3187087E+01 3,+1 124 3 +1 1.380357 -1.441067 -2.846827 Rho 0.1109470E-01 |GRAD(Rho)| 0.2667050E-15 GRAD(Rho)x -0.1244698E-15 GRAD(Rho)y 0.8965078E-16 GRAD(Rho)z 0.2181778E-15 Laplacian 0.4926722E-01 (-1/4)Del**2(Rho)) -0.1231680E-01 Diamond 0.1432099E-02 Metallicity 0.7719352E+00 Ellipticity -0.1126412E+01 Gb(Abramov) 0.9795832E-02 Vb(Abramov) -0.7274859E-02 Hb(Abramov) 0.2520972E-02 Ex_ueg -0.1827563E-02 Ec_ueg -0.4179400E-03 Delta_ex -0.2262913E-02 Delta_ec 0.4442568E-03 Delta_et -0.3423673E-02 Pxc 0.4372788E+01 Qxc -0.5093704E+01 3,+1 125 3 +3 1.317540 -1.366693 2.648944 Rho 0.1182102E-01 |GRAD(Rho)| 0.9539675E-17 GRAD(Rho)x 0.5810477E-17 GRAD(Rho)y -0.3292887E-17 GRAD(Rho)z -0.6811803E-17 Laplacian 0.5364160E-01 (-1/4)Del**2(Rho)) -0.1341040E-01 Diamond 0.1208513E-02 Metallicity 0.7880190E+00 Ellipticity -0.6833602E+00 Gb(Abramov) 0.1070154E-01 Vb(Abramov) -0.7992683E-02 Hb(Abramov) 0.2708858E-02 Ex_ueg -0.1988804E-02 Ec_ueg -0.4513132E-03 Delta_ex -0.2361815E-02 Delta_ec 0.2240600E-03 Delta_et -0.2039666E-02 Pxc 0.4406704E+01 Qxc -0.1054100E+02 3,+3 126 3 -1 1.334302 2.072638 0.009196 Rho 0.4456402E-01 |GRAD(Rho)| 0.6764768E-16 GRAD(Rho)x 0.6585724E-16 GRAD(Rho)y -0.1545073E-16 GRAD(Rho)z 0.5546808E-18 Laplacian 0.1733420E+00 (-1/4)Del**2(Rho)) -0.4333549E-01 Diamond 0.7414974E-01 Metallicity 0.2226811E+01 Ellipticity 0.1709814E-01 Gb(Abramov) 0.4497365E-01 Vb(Abramov) -0.4661181E-01 Hb(Abramov) -0.1638161E-02 Ex_ueg -0.1166893E-01 Ec_ueg -0.2116672E-02 Delta_ex -0.1381237E-01 Delta_ec 0.5080041E-02 Delta_et -0.5195114E-01 Pxc 0.5512863E+01 Qxc -0.2718949E+01 3,-1 127 3 -1 1.700564 -0.692174 1.622441 Rho 0.3154179E-01 |GRAD(Rho)| 0.1033956E-14 GRAD(Rho)x 0.9431808E-15 GRAD(Rho)y -0.3137459E-15 GRAD(Rho)z 0.2846715E-15 Laplacian 0.1187824E+00 (-1/4)Del**2(Rho)) -0.2969560E-01 Diamond 0.3033827E-01 Metallicity 0.1826719E+01 Ellipticity 0.7117119E-01 Gb(Abramov) 0.2883799E-01 Vb(Abramov) -0.2798037E-01 Hb(Abramov) 0.8576150E-03 Ex_ueg -0.7360380E-02 Ec_ueg -0.1423406E-02 Delta_ex -0.8576449E-02 Delta_ec 0.3286980E-02 Delta_et -0.3061932E-01 Pxc 0.5170965E+01 Qxc -0.2609218E+01 3,-1 128 3 +1 0.888489 2.534893 0.637570 Rho 0.2741302E-01 |GRAD(Rho)| 0.7766574E-14 GRAD(Rho)x 0.6722400E-14 GRAD(Rho)y 0.3871723E-14 GRAD(Rho)z 0.3725146E-15 Laplacian 0.1079730E+00 (-1/4)Del**2(Rho)) -0.2699325E-01 Diamond 0.1649424E-01 Metallicity 0.1590594E+01 Ellipticity -0.5066692E+01 Gb(Abramov) 0.2515139E-01 Vb(Abramov) -0.2330952E-01 Hb(Abramov) 0.1841865E-02 Ex_ueg -0.6104652E-02 Ec_ueg -0.1210957E-02 Delta_ex -0.6927531E-02 Delta_ec 0.1911443E-02 Delta_et -0.1724134E-01 Pxc 0.5041180E+01 Qxc -0.3624241E+01 3,+1 129 3 -1 1.601576 -2.721604 -1.984443 Rho 0.1358175E+00 |GRAD(Rho)| 0.3724818E-15 GRAD(Rho)x -0.3695232E-15 GRAD(Rho)y -0.3571769E-16 GRAD(Rho)z 0.3032378E-16 Laplacian 0.5449203E+00 (-1/4)Del**2(Rho)) -0.1362301E+00 Diamond 0.9804316E+00 Metallicity 0.4538087E+01 Ellipticity 0.3560118E-01 Gb(Abramov) 0.1938574E+00 Vb(Abramov) -0.2514847E+00 Hb(Abramov) -0.5762731E-01 Ex_ueg -0.5156154E-01 Ec_ueg -0.7541905E-02 Delta_ex -0.5712103E-01 Delta_ec 0.1417340E-01 Delta_et -0.1859473E+00 Pxc 0.6836673E+01 Qxc -0.4030157E+01 3,-1 130 3 +1 2.071853 -2.074037 -0.221152 Rho 0.5704201E-02 |GRAD(Rho)| 0.5308726E-14 GRAD(Rho)x 0.6081649E-15 GRAD(Rho)y -0.5391521E-15 GRAD(Rho)z -0.5246143E-14 Laplacian 0.2373573E-01 (-1/4)Del**2(Rho)) -0.5933932E-02 Diamond 0.6424303E-03 Metallicity 0.5286911E+00 Ellipticity -0.2835735E+01 Gb(Abramov) 0.4478824E-02 Vb(Abramov) -0.3023716E-02 Hb(Abramov) 0.1455108E-02 Ex_ueg -0.7527397E-03 Ec_ueg -0.1773422E-03 Delta_ex -0.1196473E-02 Delta_ec 0.7218256E-03 Delta_et -0.4088305E-02 Pxc 0.4244561E+01 Qxc -0.1657565E+01 3,+1 131 3 -1 2.065140 -2.068226 0.018376 Rho 0.5744686E-02 |GRAD(Rho)| 0.2728292E-17 GRAD(Rho)x -0.1640130E-17 GRAD(Rho)y -0.2141464E-17 GRAD(Rho)z 0.4094951E-18 Laplacian 0.2320660E-01 (-1/4)Del**2(Rho)) -0.5801650E-02 Diamond 0.7516201E-03 Metallicity 0.5471573E+00 Ellipticity 0.3474672E+01 Gb(Abramov) 0.4396836E-02 Vb(Abramov) -0.2992022E-02 Hb(Abramov) 0.1404814E-02 Ex_ueg -0.7598714E-03 Ec_ueg -0.1790991E-03 Delta_ex -0.1262121E-02 Delta_ec 0.8676199E-03 Delta_et -0.4857877E-02 Pxc 0.4242743E+01 Qxc -0.1454694E+01 3,-1 132 3 -1 0.999020 -0.148984 -3.525018 Rho 0.6419653E-01 |GRAD(Rho)| 0.1479168E-15 GRAD(Rho)x 0.1478784E-15 GRAD(Rho)y 0.1795948E-17 GRAD(Rho)z -0.2852595E-17 Laplacian 0.2727281E+00 (-1/4)Del**2(Rho)) -0.6818203E-01 Diamond 0.2038813E+00 Metallicity 0.2600573E+01 Ellipticity 0.1076452E-01 Gb(Abramov) 0.7500675E-01 Vb(Abramov) -0.8183147E-01 Hb(Abramov) -0.6824720E-02 Ex_ueg -0.1898456E-01 Ec_ueg -0.3213457E-02 Delta_ex -0.2421982E-01 Delta_ec 0.8644802E-02 Delta_et -0.9745472E-01 Pxc 0.5907830E+01 Qxc -0.2801662E+01 3,-1 133 3 -1 1.891261 3.071786 -0.683061 Rho 0.1298472E+00 |GRAD(Rho)| 0.1743268E-13 GRAD(Rho)x -0.1698602E-13 GRAD(Rho)y -0.3676394E-14 GRAD(Rho)z 0.1362964E-14 Laplacian 0.5160779E+00 (-1/4)Del**2(Rho)) -0.1290195E+00 Diamond 0.8793598E+00 Metallicity 0.4445826E+01 Ellipticity 0.3749308E-01 Gb(Abramov) 0.1816127E+00 Vb(Abramov) -0.2342058E+00 Hb(Abramov) -0.5259319E-01 Ex_ueg -0.4856186E-01 Ec_ueg -0.7166217E-02 Delta_ex -0.5350855E-01 Delta_ec 0.1356119E-01 Delta_et -0.1766330E+00 Pxc 0.6776499E+01 Qxc -0.3945711E+01 3,-1 134 3 -1 1.893542 3.062388 0.738317 Rho 0.1345288E+00 |GRAD(Rho)| 0.9567146E-13 GRAD(Rho)x -0.8949648E-13 GRAD(Rho)y -0.1868067E-13 GRAD(Rho)z 0.2818581E-13 Laplacian 0.5323874E+00 (-1/4)Del**2(Rho)) -0.1330969E+00 Diamond 0.9479239E+00 Metallicity 0.4571696E+01 Ellipticity 0.4199291E-01 Gb(Abramov) 0.1901443E+00 Vb(Abramov) -0.2471918E+00 Hb(Abramov) -0.5704745E-01 Ex_ueg -0.5091026E-01 Ec_ueg -0.7460615E-02 Delta_ex -0.5568942E-01 Delta_ec 0.1389885E-01 Delta_et -0.1821121E+00 Pxc 0.6823869E+01 Qxc -0.4006764E+01 3,-1 135 3 -1 2.690460 -1.604021 2.000067 Rho 0.1763568E+00 |GRAD(Rho)| 0.2288982E-12 GRAD(Rho)x 0.9918947E-13 GRAD(Rho)y 0.2062762E-12 GRAD(Rho)z -0.2439062E-14 Laplacian 0.6871147E+00 (-1/4)Del**2(Rho)) -0.1717787E+00 Diamond 0.1690430E+01 Metallicity 0.5562084E+01 Ellipticity 0.4697177E-01 Gb(Abramov) 0.2737603E+00 Vb(Abramov) -0.3757420E+00 Hb(Abramov) -0.1019817E+00 Ex_ueg -0.7304233E-01 Ec_ueg -0.1015157E-01 Delta_ex -0.7681104E-01 Delta_ec 0.1671788E-01 Delta_et -0.2270453E+00 Pxc 0.7195175E+01 Qxc -0.4594545E+01 3,-1 136 3 -1 2.489019 -0.337511 -2.727476 Rho 0.1915660E+00 |GRAD(Rho)| 0.2226862E-15 GRAD(Rho)x -0.2331035E-17 GRAD(Rho)y -0.1322998E-15 GRAD(Rho)z 0.1791102E-15 Laplacian 0.7438846E+00 (-1/4)Del**2(Rho)) -0.1859712E+00 Diamond 0.2006295E+01 Metallicity 0.5897096E+01 Ellipticity 0.4041371E-01 Gb(Abramov) 0.3067624E+00 Vb(Abramov) -0.4275536E+00 Hb(Abramov) -0.1207912E+00 Ex_ueg -0.8155981E-01 Ec_ueg -0.1115560E-01 Delta_ex -0.8480391E-01 Delta_ec 0.1751403E-01 Delta_et -0.2392211E+00 Pxc 0.7311108E+01 Qxc -0.4842057E+01 3,-1 137 3 -1 2.699196 1.871503 0.703285 Rho 0.1683085E+00 |GRAD(Rho)| 0.3194000E-15 GRAD(Rho)x 0.1088132E-15 GRAD(Rho)y -0.1746650E-15 GRAD(Rho)z 0.2442707E-15 Laplacian 0.7054235E+00 (-1/4)Del**2(Rho)) -0.1763559E+00 Diamond 0.1627351E+01 Metallicity 0.5011952E+01 Ellipticity 0.2675238E-01 Gb(Abramov) 0.2648851E+00 Vb(Abramov) -0.3534143E+00 Hb(Abramov) -0.8852922E-01 Ex_ueg -0.6863199E-01 Ec_ueg -0.9625649E-02 Delta_ex -0.7782619E-01 Delta_ec 0.1716751E-01 Delta_et -0.2313601E+00 Pxc 0.7130116E+01 Qxc -0.4533340E+01 3,-1 138 3 -1 3.086884 -0.781025 0.887178 Rho 0.1402924E+00 |GRAD(Rho)| 0.1437706E-15 GRAD(Rho)x 0.8132025E-16 GRAD(Rho)y 0.5416606E-16 GRAD(Rho)z 0.1054658E-15 Laplacian 0.5893443E+00 (-1/4)Del**2(Rho)) -0.1473361E+00 Diamond 0.1103042E+01 Metallicity 0.4428952E+01 Ellipticity 0.1402661E-01 Gb(Abramov) 0.2069815E+00 Vb(Abramov) -0.2666268E+00 Hb(Abramov) -0.5964537E-01 Ex_ueg -0.5383903E-01 Ec_ueg -0.7825013E-02 Delta_ex -0.6227267E-01 Delta_ec 0.1521992E-01 Delta_et -0.2006933E+00 Pxc 0.6880376E+01 Qxc -0.4091525E+01 3,-1 139 3 -1 2.472425 -0.362426 2.701025 Rho 0.1766085E+00 |GRAD(Rho)| 0.6707030E-15 GRAD(Rho)x 0.2579588E-15 GRAD(Rho)y -0.2680148E-15 GRAD(Rho)z -0.5580931E-15 Laplacian 0.6841460E+00 (-1/4)Del**2(Rho)) -0.1710365E+00 Diamond 0.1683695E+01 Metallicity 0.5599512E+01 Ellipticity 0.3978567E-01 Gb(Abramov) 0.2736445E+00 Vb(Abramov) -0.3762525E+00 Hb(Abramov) -0.1026080E+00 Ex_ueg -0.7318134E-01 Ec_ueg -0.1016808E-01 Delta_ex -0.7648801E-01 Delta_ec 0.1660631E-01 Delta_et -0.2254687E+00 Pxc 0.7197167E+01 Qxc -0.4605961E+01 3,-1 140 3 -1 3.246498 3.127262 0.030929 Rho 0.2374350E+00 |GRAD(Rho)| 0.4535212E-12 GRAD(Rho)x -0.3692433E-12 GRAD(Rho)y -0.2633226E-12 GRAD(Rho)z -0.1469295E-14 Laplacian 0.8719242E+00 (-1/4)Del**2(Rho)) -0.2179810E+00 Diamond 0.3042126E+01 Metallicity 0.7195191E+01 Ellipticity 0.2516074E-02 Gb(Abramov) 0.4067232E+00 Vb(Abramov) -0.5954654E+00 Hb(Abramov) -0.1887422E+00 Ex_ueg -0.1085870E+00 Ec_ueg -0.1426198E-01 Delta_ex -0.1050403E+00 Delta_ec 0.1930359E-01 Delta_et -0.2672026E+00 Pxc 0.7613742E+01 Qxc -0.5441492E+01 3,-1 141 3 -1 2.944205 0.427386 -1.598657 Rho 0.1292491E+00 |GRAD(Rho)| 0.3088507E-13 GRAD(Rho)x -0.2511035E-13 GRAD(Rho)y -0.7365012E-14 GRAD(Rho)z 0.1640470E-13 Laplacian 0.5365818E+00 (-1/4)Del**2(Rho)) -0.1341455E+00 Diamond 0.9165835E+00 Metallicity 0.4243161E+01 Ellipticity 0.1436434E-01 Gb(Abramov) 0.1842971E+00 Vb(Abramov) -0.2344487E+00 Hb(Abramov) -0.5015165E-01 Ex_ueg -0.4826381E-01 Ec_ueg -0.7128705E-02 Delta_ex -0.5566183E-01 Delta_ec 0.1427485E-01 Delta_et -0.1860829E+00 Pxc 0.6770347E+01 Qxc -0.3899293E+01 3,-1 142 3 +1 2.969560 0.564710 -0.021369 Rho 0.1279921E-01 |GRAD(Rho)| 0.9654799E-13 GRAD(Rho)x -0.2173401E-13 GRAD(Rho)y 0.9402217E-13 GRAD(Rho)z 0.2996339E-14 Laplacian 0.6382229E-01 (-1/4)Del**2(Rho)) -0.1595557E-01 Diamond 0.2745531E-02 Metallicity 0.7561578E+00 Ellipticity -0.1270071E+01 Gb(Abramov) 0.1264787E-01 Vb(Abramov) -0.9340169E-02 Hb(Abramov) 0.3307703E-02 Ex_ueg -0.2211205E-02 Ec_ueg -0.4965877E-03 Delta_ex -0.3178263E-02 Delta_ec 0.8055026E-03 Delta_et -0.6152604E-02 Pxc 0.4452799E+01 Qxc -0.3945689E+01 3,+1 143 3 -1 2.938417 0.360171 1.580375 Rho 0.1099689E+00 |GRAD(Rho)| 0.9761100E-13 GRAD(Rho)x 0.3702954E-13 GRAD(Rho)y 0.2466122E-13 GRAD(Rho)z -0.8688236E-13 Laplacian 0.4604183E+00 (-1/4)Del**2(Rho)) -0.1151046E+00 Diamond 0.6477794E+00 Metallicity 0.3777843E+01 Ellipticity 0.1519328E-01 Gb(Abramov) 0.1492109E+00 Vb(Abramov) -0.1833172E+00 Hb(Abramov) -0.3410630E-01 Ex_ueg -0.3891153E-01 Ec_ueg -0.5932792E-02 Delta_ex -0.4596457E-01 Delta_ec 0.1272073E-01 Delta_et -0.1611524E+00 Pxc 0.6558721E+01 Qxc -0.3613358E+01 3,-1 144 3 -1 3.089860 -0.736467 -0.900500 Rho 0.1348083E+00 |GRAD(Rho)| 0.3698719E-13 GRAD(Rho)x 0.1168591E-13 GRAD(Rho)y 0.3382807E-13 GRAD(Rho)z -0.9335577E-14 Laplacian 0.5767327E+00 (-1/4)Del**2(Rho)) -0.1441832E+00 Diamond 0.1025968E+01 Metallicity 0.4234800E+01 Ellipticity 0.7604022E-02 Gb(Abramov) 0.1978866E+00 Vb(Abramov) -0.2515900E+00 Hb(Abramov) -0.5370342E-01 Ex_ueg -0.5105134E-01 Ec_ueg -0.7478237E-02 Delta_ex -0.6031848E-01 Delta_ec 0.1497773E-01 Delta_et -0.1961722E+00 Pxc 0.6826654E+01 Qxc -0.4027210E+01 3,-1 145 3 -1 3.898346 -0.615325 -2.219888 Rho 0.2352920E+00 |GRAD(Rho)| 0.2902038E-10 GRAD(Rho)x 0.2751169E-10 GRAD(Rho)y -0.1542771E-11 GRAD(Rho)z -0.9105438E-11 Laplacian 0.8494575E+00 (-1/4)Del**2(Rho)) -0.2123644E+00 Diamond 0.2942887E+01 Metallicity 0.7274729E+01 Ellipticity 0.1062596E-01 Gb(Abramov) 0.3990585E+00 Vb(Abramov) -0.5857526E+00 Hb(Abramov) -0.1866941E+00 Ex_ueg -0.1072823E+00 Ec_ueg -0.1411427E-01 Delta_ex -0.1021539E+00 Delta_ec 0.1896684E-01 Delta_et -0.2629272E+00 Pxc 0.7600979E+01 Qxc -0.5385922E+01 3,-1 146 3 -1 3.889975 -0.691081 2.216225 Rho 0.2341577E+00 |GRAD(Rho)| 0.6537715E-15 GRAD(Rho)x -0.6494371E-15 GRAD(Rho)y 0.4866713E-16 GRAD(Rho)z -0.5727298E-16 Laplacian 0.8447411E+00 (-1/4)Del**2(Rho)) -0.2111853E+00 Diamond 0.2910424E+01 Metallicity 0.7256665E+01 Ellipticity 0.4808698E-02 Gb(Abramov) 0.3962070E+00 Vb(Abramov) -0.5812287E+00 Hb(Abramov) -0.1850217E+00 Ex_ueg -0.1065933E+00 Ec_ueg -0.1403619E-01 Delta_ex -0.1014637E+00 Delta_ec 0.1889653E-01 Delta_et -0.2619346E+00 Pxc 0.7594174E+01 Qxc -0.5369436E+01 3,-1 147 3 -1 -1.294823 -3.129836 0.230753 Rho 0.4714076E-01 |GRAD(Rho)| 0.1066253E-14 GRAD(Rho)x -0.9159644E-15 GRAD(Rho)y -0.5068474E-15 GRAD(Rho)z 0.2025111E-15 Laplacian 0.1259604E+00 (-1/4)Del**2(Rho)) -0.3149010E-01 Diamond 0.9142259E-01 Metallicity 0.3365426E+01 Ellipticity 0.8589354E-02 Gb(Abramov) 0.3865634E-01 Vb(Abramov) -0.4582257E-01 Hb(Abramov) -0.7166234E-02 Ex_ueg -0.1257710E-01 Ec_ueg -0.2257446E-02 Delta_ex -0.1173018E-01 Delta_ec 0.6458459E-02 Delta_et -0.6769654E-01 Pxc 0.5571385E+01 Qxc -0.1816250E+01 3,-1 148 3 -1 -0.057808 0.020431 4.530894 Rho 0.2285436E+00 |GRAD(Rho)| 0.6195775E-12 GRAD(Rho)x -0.1423887E-13 GRAD(Rho)y -0.8279830E-13 GRAD(Rho)z -0.6138550E-12 Laplacian 0.8488504E+00 (-1/4)Del**2(Rho)) -0.2122126E+00 Diamond 0.2827316E+01 Metallicity 0.6935275E+01 Ellipticity 0.1783739E-01 Gb(Abramov) 0.3867672E+00 Vb(Abramov) -0.5613218E+00 Hb(Abramov) -0.1745546E+00 Ex_ueg -0.1031994E+00 Ec_ueg -0.1365076E-01 Delta_ex -0.1012419E+00 Delta_ec 0.1898994E-01 Delta_et -0.2623875E+00 Pxc 0.7559973E+01 Qxc -0.5331341E+01 3,-1 149 3 -1 -0.078140 0.863345 -3.265154 Rho 0.9712318E-01 |GRAD(Rho)| 0.5160505E-13 GRAD(Rho)x -0.4649728E-14 GRAD(Rho)y -0.4711565E-13 GRAD(Rho)z -0.2053234E-13 Laplacian 0.4254643E+00 (-1/4)Del**2(Rho)) -0.1063661E+00 Diamond 0.5346474E+00 Metallicity 0.3323698E+01 Ellipticity 0.7162941E-02 Gb(Abramov) 0.1298322E+00 Vb(Abramov) -0.1532983E+00 Hb(Abramov) -0.2346609E-01 Ex_ueg -0.3297228E-01 Ec_ueg -0.5151116E-02 Delta_ex -0.4160559E-01 Delta_ec 0.1269605E-01 Delta_et -0.1576696E+00 Pxc 0.6400996E+01 Qxc -0.3277051E+01 3,-1 150 3 -1 -0.025414 0.775925 -0.010720 Rho 0.1638219E+00 |GRAD(Rho)| 0.4842657E-14 GRAD(Rho)x -0.1621966E-14 GRAD(Rho)y -0.4562323E-14 GRAD(Rho)z 0.7589415E-16 Laplacian 0.4054080E+00 (-1/4)Del**2(Rho)) -0.1013520E+00 Diamond 0.9325500E+00 Metallicity 0.8336954E+01 Ellipticity 0.6263966E-02 Gb(Abramov) 0.2083958E+00 Vb(Abramov) -0.3154397E+00 Hb(Abramov) -0.1070438E+00 Ex_ueg -0.6620351E-01 Ec_ueg -0.9334107E-02 Delta_ex -0.4466672E-01 Delta_ec 0.1036479E-01 Delta_et -0.1403790E+00 Pxc 0.7092645E+01 Qxc -0.4309467E+01 3,-1 151 3 -1 1.032029 -0.115335 3.476759 Rho 0.8768562E-01 |GRAD(Rho)| 0.7381332E-16 GRAD(Rho)x 0.7380029E-16 GRAD(Rho)y -0.9902212E-18 GRAD(Rho)z 0.9711233E-18 Laplacian 0.3533524E+00 (-1/4)Del**2(Rho)) -0.8833811E-01 Diamond 0.3711530E+00 Metallicity 0.3375093E+01 Ellipticity 0.7950167E-02 Gb(Abramov) 0.1085836E+00 Vb(Abramov) -0.1288291E+00 Hb(Abramov) -0.2024551E-01 Ex_ueg -0.2877108E-01 Ec_ueg -0.4585339E-02 Delta_ex -0.3332863E-01 Delta_ec 0.9998305E-02 Delta_et -0.1207417E+00 Pxc 0.6274582E+01 Qxc -0.3333428E+01 3,-1 152 3 +1 0.983656 -0.377939 -2.590025 Rho 0.2190134E-01 |GRAD(Rho)| 0.2753816E-16 GRAD(Rho)x -0.5812244E-17 GRAD(Rho)y 0.1235587E-16 GRAD(Rho)z -0.2391445E-16 Laplacian 0.8020768E-01 (-1/4)Del**2(Rho)) -0.2005192E-01 Diamond 0.7487788E-02 Metallicity 0.1472928E+01 Ellipticity -0.2234355E+01 Gb(Abramov) 0.1829045E-01 Vb(Abramov) -0.1652899E-01 Hb(Abramov) 0.1761466E-02 Ex_ueg -0.4525632E-02 Ec_ueg -0.9340037E-03 Delta_ex -0.4653220E-02 Delta_ec 0.1070435E-02 Delta_et -0.9237707E-02 Pxc 0.4845411E+01 Qxc -0.4347035E+01 3,+1 153 3 -1 0.771238 -3.976206 -2.211379 Rho 0.2352834E+00 |GRAD(Rho)| 0.9413654E-15 GRAD(Rho)x -0.1211596E-16 GRAD(Rho)y 0.8083811E-15 GRAD(Rho)z 0.4822260E-15 Laplacian 0.8632412E+00 (-1/4)Del**2(Rho)) -0.2158103E+00 Diamond 0.2978273E+01 Metallicity 0.7158132E+01 Ellipticity 0.3211261E-02 Gb(Abramov) 0.4013400E+00 Vb(Abramov) -0.5868696E+00 Hb(Abramov) -0.1855297E+00 Ex_ueg -0.1072770E+00 Ec_ueg -0.1411368E-01 Delta_ex -0.1037437E+00 Delta_ec 0.1915542E-01 Delta_et -0.2650295E+00 Pxc 0.7600927E+01 Qxc -0.5415890E+01 3,-1 154 3 -1 2.701713 -1.547622 -1.995428 Rho 0.1433269E+00 |GRAD(Rho)| 0.1512308E-13 GRAD(Rho)x 0.1380802E-13 GRAD(Rho)y 0.5018636E-14 GRAD(Rho)z -0.3586004E-14 Laplacian 0.5632434E+00 (-1/4)Del**2(Rho)) -0.1408109E+00 Diamond 0.1088476E+01 Metallicity 0.4802452E+01 Ellipticity 0.2777047E-01 Gb(Abramov) 0.2065801E+00 Vb(Abramov) -0.2723494E+00 Hb(Abramov) -0.6576928E-01 Ex_ueg -0.5539729E-01 Ec_ueg -0.8017715E-02 Delta_ex -0.5989853E-01 Delta_ec 0.1459919E-01 Delta_et -0.1934008E+00 Pxc 0.6909361E+01 Qxc -0.4102867E+01 3,-1 155 3 -1 2.701283 1.892533 -0.691590 Rho 0.1522674E+00 |GRAD(Rho)| 0.3222435E-13 GRAD(Rho)x -0.5225116E-14 GRAD(Rho)y 0.2318870E-13 GRAD(Rho)z 0.2175755E-13 Laplacian 0.6375210E+00 (-1/4)Del**2(Rho)) -0.1593803E+00 Diamond 0.1313019E+01 Metallicity 0.4693141E+01 Ellipticity 0.1812820E-01 Gb(Abramov) 0.2309192E+00 Vb(Abramov) -0.3024581E+00 Hb(Abramov) -0.7153891E-01 Ex_ueg -0.6005202E-01 Ec_ueg -0.8588818E-02 Delta_ex -0.6869344E-01 Delta_ec 0.1607309E-01 Delta_et -0.2143084E+00 Pxc 0.6991884E+01 Qxc -0.4273818E+01 3,-1 156 3 -1 -2.211856 1.627993 -1.214557 Rho 0.3124035E+00 |GRAD(Rho)| 0.4050141E-14 GRAD(Rho)x 0.2403279E-14 GRAD(Rho)y 0.1928178E-14 GRAD(Rho)z -0.2628693E-14 Laplacian -0.1578173E+01 (-1/4)Del**2(Rho)) 0.3945432E+00 Diamond 0.5423272E+01 Metallicity -0.6280368E+01 Ellipticity 0.2045396E-02 Gb(Abramov) 0.1499506E+00 Vb(Abramov) -0.6944444E+00 Hb(Abramov) -0.5444938E+00 Ex_ueg -0.1565571E+00 Ec_ueg -0.1958798E-01 Delta_ex 0.1554399E+00 Delta_ec 0.5549551E-01 Delta_et -0.1302841E+01 Pxc 0.7992511E+01 Qxc 0.2800945E+01 3,-1 157 3 -1 -2.195318 1.573384 1.208745 Rho 0.3087187E+00 |GRAD(Rho)| 0.8723055E-15 GRAD(Rho)x 0.4857770E-15 GRAD(Rho)y -0.5960922E-15 GRAD(Rho)z 0.4118393E-15 Laplacian -0.1549498E+01 (-1/4)Del**2(Rho)) 0.3873744E+00 Diamond 0.5289867E+01 Metallicity -0.6271340E+01 Ellipticity 0.1156832E-02 Gb(Abramov) 0.1466432E+00 Vb(Abramov) -0.6806608E+00 Hb(Abramov) -0.5340176E+00 Ex_ueg -0.1540999E+00 Ec_ueg -0.1931895E-01 Delta_ex 0.1517491E+00 Delta_ec 0.5476502E-01 Delta_et -0.1278457E+01 Pxc 0.7976617E+01 Qxc 0.2770913E+01 3,-1 158 3 -1 -0.469989 -3.104521 1.587515 Rho 0.2113566E+00 |GRAD(Rho)| 0.1399995E-14 GRAD(Rho)x 0.6518223E-15 GRAD(Rho)y 0.7413910E-16 GRAD(Rho)z 0.1236777E-14 Laplacian 0.8121596E+00 (-1/4)Del**2(Rho)) -0.2030399E+00 Diamond 0.2453677E+01 Metallicity 0.6363044E+01 Ellipticity 0.1800503E-01 Gb(Abramov) 0.3506852E+00 Vb(Abramov) -0.4983306E+00 Hb(Abramov) -0.1476453E+00 Ex_ueg -0.9298358E-01 Ec_ueg -0.1248160E-01 Delta_ex -0.9487252E-01 Delta_ec 0.1848141E-01 Delta_et -0.2538798E+00 Pxc 0.7449654E+01 Qxc -0.5133402E+01 3,-1 159 3 -1 -1.309286 -3.135662 -0.550535 Rho 0.3072045E+00 |GRAD(Rho)| 0.6551882E-15 GRAD(Rho)x 0.3120554E-15 GRAD(Rho)y 0.1801557E-15 GRAD(Rho)z -0.5472083E-15 Laplacian -0.1507436E+01 (-1/4)Del**2(Rho)) 0.3768589E+00 Diamond 0.5140119E+01 Metallicity -0.6393721E+01 Ellipticity 0.6161648E-02 Gb(Abramov) 0.1503492E+00 Vb(Abramov) -0.6775573E+00 Hb(Abramov) -0.5272081E+00 Ex_ueg -0.1530930E+00 Ec_ueg -0.1920862E-01 Delta_ex 0.1472507E+00 Delta_ec 0.5344509E-01 Delta_et -0.1244544E+01 Pxc 0.7970013E+01 Qxc 0.2755178E+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 84 112 70 129 115 153 86 92 69 105 79 111 80 127 138 143 135 139 146 107 149 74 132 99 140 126 155 137 133 134 148 103 76 94 101 151 117 158 113 116 72 114 93 141 144 136 154 145 81 104 68 91 110 87 108 53 52 75 59 58 150 109 147 57 54 156 131 157 159 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 17 19 21 21 22 23 26 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 19 28 36 45 46 36 36 47 23 28 46 24 45 47 2.424581 1.955906 1.946059 1.960716 1.878346 1.750945 1.811605 2.394678 1.934973 1.943525 1.922657 1.946919 1.745739 2.572109 1.939538 2.035326 1.860495 1.861491 1.753015 2.423058 2.073673 1.804917 2.258081 2.086140 1.747340 2.420781 1.907605 1.868719 1.981649 1.967241 1.761928 2.370844 1.763565 1.957238 1.983150 2.139889 2.394796 1.792850 1.948412 1.947863 2.115593 1.758765 2.564115 1.971430 1.954487 1.830381 1.940524 1.751211 2.394546 1.865022 1.940388 1.747500 1.940963 2.020144 1.726807 3.269125 3.332268 1.680278 1.757301 1.801433 1.755031 1.736720 1.685235 3.025267 3.158334 1.001870 3.234257 1.005581 1.008677 2.426210 1.956466 1.947029 1.961281 1.878825 1.750952 1.811636 2.396333 1.936376 1.944019 1.923204 1.947465 1.745747 2.573651 1.939976 2.035657 1.860849 1.861914 1.753029 2.425161 2.073815 1.804933 2.258392 2.086430 1.747348 2.422344 1.908061 1.869155 1.982220 1.967804 1.761951 2.372562 1.763614 1.957559 1.983724 2.140405 2.396471 1.792937 1.948758 1.948473 2.116133 1.758787 2.565767 1.971863 1.954920 1.830705 1.941043 1.751227 2.396156 1.865362 1.941747 1.747512 1.941511 2.020651 1.726868 3.304346 3.370994 1.680382 1.763343 1.809777 1.755046 1.736766 1.687249 3.034230 3.178915 1.001963 3.236586 1.005667 1.008757 29 25 27 27 25 21 23 29 27 25 25 25 23 29 27 28 24 24 23 28 25 27 29 25 25 29 24 25 27 27 24 29 25 26 25 25 28 23 25 25 30 24 29 27 28 25 24 24 28 24 26 24 25 25 23 37 37 24 28 27 23 22 22 35 35 20 35 19 17 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 W O W W Ta W W O O W W W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H H 2.4238 -0.9751 2.4458 2.4285 2.0728 2.4841 2.3561 -0.8219 -0.8575 2.3661 2.4320 2.4452 -1.0856 -0.9131 -1.1135 -1.0929 -0.8792 -0.9718 -0.8181 -0.9703 -0.7976 -0.9802 -0.7919 -0.9811 -0.9794 -0.8159 -0.9560 -0.9375 -0.9461 -0.8246 -0.9890 -1.0056 -0.9880 -0.9737 -0.9732 2.2884 -0.8512 -0.9762 -0.9879 -0.9846 -0.8318 -0.8382 -0.8181 -0.8451 0.2782 0.2738 0.2773 2.1129 1.9362 2.1027 2.0991 2.1367 2.0872 2.1276 1.9601 1.9538 2.1237 2.1025 2.1068 1.9359 1.9572 1.9274 1.9340 1.9529 1.9308 1.9569 1.9302 1.8737 1.9288 1.8736 1.9286 1.9272 1.8751 1.9327 1.9394 1.9458 1.9597 1.9392 1.9369 1.9371 1.9374 1.9407 0.8868 1.9546 1.9411 1.9396 1.9392 1.9572 1.9583 1.9599 1.9568 0.5651 0.5746 0.5578 6.1075 5.0144 6.0985 6.0939 6.0937 6.0814 6.1112 4.8278 4.8720 6.1147 6.0963 6.0981 5.1161 4.9207 5.1518 5.1243 4.8940 5.0134 4.8287 5.0100 4.8936 5.0231 4.8880 5.0234 5.0243 4.9099 4.9930 4.9723 4.9708 4.8312 5.0193 5.0383 5.0193 5.0059 5.0018 1.2763 4.8645 5.0055 5.0190 5.0142 4.8413 4.8464 4.8242 4.8552 0.1567 0.1516 0.1649 3.3265 0.0245 3.3238 3.3491 2.6646 3.3174 3.3763 0.0340 0.0317 3.3665 3.3398 3.3208 0.0337 0.0352 0.0343 0.0346 0.0324 0.0277 0.0325 0.0301 0.0303 0.0283 0.0304 0.0291 0.0280 0.0308 0.0303 0.0259 0.0294 0.0338 0.0305 0.0304 0.0316 0.0305 0.0307 10.5485 0.0321 0.0296 0.0293 0.0312 0.0332 0.0334 0.0341 0.0331 0.0000 0.0000 0.0000 14.0292 0.0000 14.0292 14.0294 14.0321 14.0298 14.0287 0.0000 0.0000 14.0290 14.0295 14.0292 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 W O W W Ta W W O O W W W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H H 2.504748 -1.074214 2.506715 2.490896 2.307871 2.508805 2.472974 -0.863098 -0.910844 2.478546 2.495644 2.501108 -1.089267 -0.861170 -1.100148 -1.087576 -0.844334 -0.991055 -0.877994 -0.976311 -0.645135 -0.991343 -0.640942 -0.982299 -0.990224 -0.668125 -0.967739 -1.016954 -0.972361 -0.866025 -0.974795 -0.987840 -0.979006 -0.976692 -0.977242 2.292594 -0.904009 -0.982778 -0.980146 -0.971556 -0.881876 -0.882655 -0.858944 -0.891545 0.038896 0.038364 0.029085 1.945512 -1.013885 1.942507 1.923477 1.842628 1.930461 1.926783 -0.774942 -0.826680 1.921152 1.926713 1.943975 -0.730495 -0.709749 -0.732202 -0.726262 -0.766617 -0.758301 -0.787327 -0.739688 -0.797618 -0.725792 -0.791591 -0.725352 -0.728949 -0.815866 -0.741745 -0.949750 -0.828993 -0.760082 -0.804568 -0.811053 -0.799471 -0.804248 -0.826874 1.711866 -0.817118 -0.830569 -0.809752 -0.801746 -0.786177 -0.796750 -0.753246 -0.804422 0.299438 0.295493 0.267875 2.073099 -1.001734 2.030459 2.024698 1.931938 2.036125 2.020291 -0.734843 -0.802102 2.025903 2.029954 2.032325 -0.807233 -0.710945 -0.809751 -0.788262 -0.801880 -0.840206 -0.803853 -0.818218 -0.833060 -0.828686 -0.827535 -0.823602 -0.820828 -0.819088 -0.816776 -0.976461 -0.846923 -0.737604 -0.849723 -0.871225 -0.842440 -0.836101 -0.848833 1.683037 -0.795253 -0.856020 -0.858403 -0.846750 -0.775869 -0.763708 -0.730912 -0.772767 0.356862 0.358166 0.294734 -18.31320334 0.39880249 7.08338646 19.63942015 86.96595725 21.65909032 -10.30108581 -7.12537650 3.34820476 -79.84058075 -321.2083 361.7557 -20.4612 -362.5368 -60.7767 -403.2272 Jun19-2024 11:53:57 Nodes: 1 Procs: 1 Jun19-2024 11:53:59 Nodes: 1 Procs: 1 0 Jun19-2024 11:54:01 Nodes: 1 Procs: 1 Jun19-2024 11:54:03 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:54:06 Nodes: 1 Procs: 1 Jun19-2024 11:54:08 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:54:12 Nodes: 1 Procs: 1 Jun19-2024 11:54:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 11:54:15 Nodes: 1 Procs: 1 Jun19-2024 11:54:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 11:54:22 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -14.64417383 -14.78656609 -14.80541892 -14.81033536 -14.81235919 -14.81368030 -14.81501819 -14.81664109 -14.81723240 -14.81769958 -14.81786949 -14.81800141 -14.81817838 -14.81821194 -14.81829164 -14.81831107 -14.81832895 GEOMETRY CONVERGED