ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 05:42:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 0.04 1.80 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun12-2024 05:42:32 Nodes: 1 Procs: 1 Jun12-2024 05:42:34 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 05:42:37 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.07 2.34 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun12-2024 05:42:32 Nodes: 1 Procs: 1 Jun12-2024 05:42:34 Nodes: 1 Procs: 1 0 Jun12-2024 05:42:37 Nodes: 1 Procs: 1 Jun12-2024 05:42:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 05:42:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.57 0.08 2.50 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun12-2024 05:42:32 Nodes: 1 Procs: 1 Jun12-2024 05:42:34 Nodes: 1 Procs: 1 0 Jun12-2024 05:42:37 Nodes: 1 Procs: 1 Jun12-2024 05:42:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 05:42:42 Nodes: 1 Procs: 1 Jun12-2024 05:42:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 05:42:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.93 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun12-2024 05:42:32 Nodes: 1 Procs: 1 Jun12-2024 05:42:34 Nodes: 1 Procs: 1 0 Jun12-2024 05:42:37 Nodes: 1 Procs: 1 Jun12-2024 05:42:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 05:42:42 Nodes: 1 Procs: 1 Jun12-2024 05:42:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 05:42:48 Nodes: 1 Procs: 1 Jun12-2024 05:42:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 05:42:52 Hydrogen (TZP) c2-28 c2-28 c2-28 c2-28 c2-28 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.07 3.27 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun12-2024 05:42:32 Nodes: 1 Procs: 1 Jun12-2024 05:42:34 Nodes: 1 Procs: 1 0 Jun12-2024 05:42:37 Nodes: 1 Procs: 1 Jun12-2024 05:42:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 05:42:42 Nodes: 1 Procs: 1 Jun12-2024 05:42:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 05:42:48 Nodes: 1 Procs: 1 Jun12-2024 05:42:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 05:42:52 Nodes: 1 Procs: 1 Jun12-2024 05:42:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 05:43:01 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2305.6775999999995 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318.997 0.211 0.290 0.213 169.939 0.01310923 3.404146 1.000000 298.150000 71933.6144 76897.3989 78529.4066 1 NOSYM 298.15 49.091 41.292 225.423 315.806 0.889 0.889 129.570 131.348 2.981 2.981 224.131 230.093 2305.6775999999995 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3.832687 0.178412 -3.792937 3.798515 -0.224262 -3.680735 -3.838709 0.214282 -3.805373 0.187798 -3.687313 -3.829793 -0.225371 3.688599 3.811795 0.236608 3.689142 3.805803 -0.223475 -3.686274 -0.008372 -0.007675 -0.021425 -3.810165 4.390015 -1.007373 1 3 -3 0.136439 -2.507712 2.638896 Rho 0.1240647E+06 3,-3 2 3 -3 -0.104829 -2.538147 -2.605646 Rho 0.1240647E+06 3,-3 3 3 -3 0.123091 2.474701 -2.670434 Rho 0.1240647E+06 3,-3 4 3 -3 -0.110334 2.490120 2.625229 Rho 0.1240647E+06 3,-3 5 3 -3 -2.497024 -2.639846 -0.087689 Rho 0.1240647E+06 3,-3 6 3 -3 -2.621464 0.069369 2.515660 Rho 0.1240647E+06 3,-3 7 3 -3 2.628294 -0.080584 2.495702 Rho 0.1240647E+06 3,-3 8 3 -3 2.503303 -2.597110 0.118045 Rho 0.4361414E+07 3,-3 9 3 -3 2.467272 2.620369 -0.136622 Rho 0.4361414E+07 3,-3 10 3 -3 -2.470403 2.537642 0.104799 Rho 0.4361413E+07 3,-3 11 3 -3 -2.599298 -0.165659 -2.509993 Rho 0.4361414E+07 3,-3 12 3 -3 2.598351 0.087701 -2.499470 Rho 0.4361414E+07 3,-3 13 3 -3 0.969961 -0.964935 0.971963 Rho 0.3190363E+03 3,-3 14 3 -3 -0.988122 -0.988840 -0.989958 Rho 0.3190284E+03 3,-3 15 3 -3 0.974905 0.973635 -0.996958 Rho 0.3190156E+03 3,-3 16 3 -3 -1.003347 0.990021 0.935399 Rho 0.3190172E+03 3,-3 17 3 -3 -3.026728 -1.184968 1.135647 Rho 0.3190324E+03 3,-3 18 3 -3 3.011533 -1.159523 -1.123970 Rho 0.3188826E+03 3,-3 19 3 -3 -2.984017 1.126704 -1.111471 Rho 0.3189058E+03 3,-3 20 3 -3 2.995080 1.189806 1.139539 Rho 0.3189759E+03 3,-3 21 3 -3 1.173162 -1.128226 -2.994360 Rho 0.3189481E+03 3,-3 22 3 -3 1.158809 1.143041 3.024572 Rho 0.3190318E+03 3,-3 23 3 -3 -1.172239 1.131746 -2.997500 Rho 0.3189669E+03 3,-3 24 3 -3 -1.191157 -1.163034 3.005164 Rho 0.3190231E+03 3,-3 25 3 -3 -1.168697 2.969566 -1.125778 Rho 0.3190288E+03 3,-3 26 3 -3 -1.144361 -3.012015 1.168127 Rho 0.3190483E+03 3,-3 27 3 -3 1.118487 2.988027 1.159795 Rho 0.3189461E+03 3,-3 28 3 -3 1.155841 -3.003457 -1.168755 Rho 0.3189432E+03 3,-3 29 3 -3 3.409190 -1.534231 1.512495 Rho 0.3190720E+03 3,-3 30 3 -3 -3.415235 -1.563042 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3.798515 -0.224262 Rho 0.3186839E+03 3,-3 48 3 -3 -3.680735 -3.838709 0.214282 Rho 0.3195699E+03 3,-3 49 3 -3 -3.805373 0.187798 -3.687313 Rho 0.3194271E+03 3,-3 50 3 -3 -3.829793 -0.225371 3.688599 Rho 0.3195820E+03 3,-3 51 3 -3 3.811795 0.236608 3.689142 Rho 0.3195762E+03 3,-3 52 3 -3 3.805803 -0.223475 -3.686274 Rho 0.3194246E+03 3,-3 53 3 -3 -0.008372 -0.007675 -0.021425 Rho 0.4276078E+05 3,-3 54 3 -3 -3.810165 4.390015 -1.007373 Rho 0.4430855E+00 3,-3 55 3 +1 -0.536315 0.526466 -1.670836 Rho 0.9053740E-02 |GRAD(Rho)| 0.2977166E-12 GRAD(Rho)x -0.1090268E-12 GRAD(Rho)y 0.2398638E-12 GRAD(Rho)z -0.1386135E-12 Laplacian 0.3517963E-01 (-1/4)Del**2(Rho)) -0.8794907E-02 Diamond 0.1020047E-02 Metallicity 0.7703747E+00 Ellipticity -0.1484469E+01 Gb(Abramov) 0.6992500E-02 Vb(Abramov) -0.5190093E-02 Hb(Abramov) 0.1802407E-02 Ex_ueg -0.1393657E-02 Ec_ueg -0.3253271E-03 Delta_ex -0.1632552E-02 Delta_ec 0.5027205E-03 Delta_et -0.3475579E-02 Pxc 0.4283862E+01 Qxc -0.3247434E+01 3,+1 56 3 +3 -1.118215 -1.110969 1.113053 Rho 0.5000499E-02 |GRAD(Rho)| 0.1531187E-12 GRAD(Rho)x -0.9515090E-13 GRAD(Rho)y 0.7872171E-13 GRAD(Rho)z -0.9052370E-13 Laplacian 0.1924588E-01 (-1/4)Del**2(Rho)) -0.4811471E-02 Diamond 0.1358975E-03 Metallicity 0.5235573E+00 Ellipticity -0.3426447E-01 Gb(Abramov) 0.3627494E-02 Vb(Abramov) -0.2443517E-02 Hb(Abramov) 0.1183977E-02 Ex_ueg -0.6315429E-03 Ec_ueg -0.1469343E-03 Delta_ex -0.6663231E-03 Delta_ec 0.8723101E-04 Delta_et -0.6835039E-03 Pxc 0.4298132E+01 Qxc -0.7638604E+01 3,+3 57 3 +1 -0.129234 2.869768 0.124800 Rho 0.5622948E-02 |GRAD(Rho)| 0.1805696E-14 GRAD(Rho)x -0.9592898E-15 GRAD(Rho)y 0.4899268E-15 GRAD(Rho)z 0.1449231E-14 Laplacian 0.2329243E-01 (-1/4)Del**2(Rho)) -0.5823108E-02 Diamond 0.6778975E-03 Metallicity 0.5260235E+00 Ellipticity -0.1429149E+02 Gb(Abramov) 0.4392587E-02 Vb(Abramov) -0.2962067E-02 Hb(Abramov) 0.1430521E-02 Ex_ueg -0.7384773E-03 Ec_ueg -0.1738185E-03 Delta_ex -0.1218040E-02 Delta_ec 0.7927217E-03 Delta_et 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Delta_ex -0.1041314E-02 Delta_ec 0.6306876E-03 Delta_et -0.3470546E-02 Pxc 0.4283017E+01 Qxc -0.1651077E+01 3,+1 60 3 -1 -1.753676 -0.565133 -1.712128 Rho 0.5042272E-01 |GRAD(Rho)| 0.2868615E-15 GRAD(Rho)x 0.1548931E-15 GRAD(Rho)y -0.6915368E-16 GRAD(Rho)z 0.2313340E-15 Laplacian 0.2074409E+00 (-1/4)Del**2(Rho)) -0.5186022E-01 Diamond 0.1055867E+00 Metallicity 0.2286104E+01 Ellipticity 0.1377677E-01 Gb(Abramov) 0.5433313E-01 Vb(Abramov) -0.5680603E-01 Hb(Abramov) -0.2472902E-02 Ex_ueg -0.1375794E-01 Ec_ueg -0.2438254E-02 Delta_ex -0.1707792E-01 Delta_ec 0.6121079E-02 Delta_et -0.6467016E-01 Pxc 0.5642539E+01 Qxc -0.2790018E+01 3,-1 61 3 -1 -3.017008 -0.911097 -1.970042 Rho 0.1607127E+00 |GRAD(Rho)| 0.3828933E-13 GRAD(Rho)x 0.1953394E-14 GRAD(Rho)y 0.3621772E-13 GRAD(Rho)z 0.1226921E-13 Laplacian 0.6311717E+00 (-1/4)Del**2(Rho)) -0.1577929E+00 Diamond 0.1392540E+01 Metallicity 0.5186600E+01 Ellipticity 0.5448935E-01 Gb(Abramov) 0.2415967E+00 Vb(Abramov) -0.3254006E+00 Hb(Abramov) -0.8380382E-01 Ex_ueg -0.6453353E-01 Ec_ueg -0.9132772E-02 Delta_ex -0.6897354E-01 Delta_ec 0.1578783E-01 Delta_et -0.2122286E+00 Pxc 0.7066149E+01 Qxc -0.4368778E+01 3,-1 62 3 +1 -1.659009 0.491346 -0.551631 Rho 0.9725304E-02 |GRAD(Rho)| 0.6782788E-17 GRAD(Rho)x -0.4896909E-18 GRAD(Rho)y 0.5536002E-17 GRAD(Rho)z -0.3888328E-17 Laplacian 0.3875374E-01 (-1/4)Del**2(Rho)) -0.9688436E-02 Diamond 0.1195807E-02 Metallicity 0.7879008E+00 Ellipticity -0.1443958E+01 Gb(Abramov) 0.7731211E-02 Vb(Abramov) -0.5773987E-02 Hb(Abramov) 0.1957224E-02 Ex_ueg -0.1533167E-02 Ec_ueg -0.3556065E-03 Delta_ex -0.1814977E-02 Delta_ec 0.5243679E-03 Delta_et -0.3715006E-02 Pxc 0.4311413E+01 Qxc -0.3461266E+01 3,+1 63 3 -1 -3.158893 3.218999 -0.098639 Rho 0.1756849E+00 |GRAD(Rho)| 0.1705984E-13 GRAD(Rho)x -0.1235901E-13 GRAD(Rho)y -0.3406834E-15 GRAD(Rho)z -0.1175487E-13 Laplacian 0.6894170E+00 (-1/4)Del**2(Rho)) -0.1723543E+00 Diamond 0.1714817E+01 Metallicity 0.5508353E+01 Ellipticity 0.1158503E+00 Gb(Abramov) 0.2731342E+00 Vb(Abramov) -0.3739141E+00 Hb(Abramov) -0.1007799E+00 Ex_ueg -0.7267152E-01 Ec_ueg -0.1010752E-01 Delta_ex -0.7720827E-01 Delta_ec 0.1717210E-01 Delta_et -0.2342185E+00 Pxc 0.7189847E+01 Qxc -0.4496145E+01 3,-1 64 3 +1 -2.902762 -0.254454 -0.207359 Rho 0.5572022E-02 |GRAD(Rho)| 0.6793953E-15 GRAD(Rho)x -0.5120065E-16 GRAD(Rho)y -0.4291272E-15 GRAD(Rho)z -0.5242198E-15 Laplacian 0.2337601E-01 (-1/4)Del**2(Rho)) -0.5844003E-02 Diamond 0.5543747E-03 Metallicity 0.5162549E+00 Ellipticity -0.1958633E+01 Gb(Abramov) 0.4398834E-02 Vb(Abramov) -0.2953666E-02 Hb(Abramov) 0.1445168E-02 Ex_ueg -0.7295731E-03 Ec_ueg -0.1716117E-03 Delta_ex -0.1125709E-02 Delta_ec 0.6267004E-03 Delta_et -0.3559549E-02 Pxc 0.4251302E+01 Qxc -0.1796247E+01 3,+1 65 3 -1 -2.909179 -0.011340 0.032648 Rho 0.5699924E-02 |GRAD(Rho)| 0.5011554E-17 GRAD(Rho)x -0.3886207E-18 GRAD(Rho)y -0.4539232E-17 GRAD(Rho)z 0.2088066E-17 Laplacian 0.2304255E-01 (-1/4)Del**2(Rho)) -0.5760638E-02 Diamond 0.7523339E-03 Metallicity 0.5439149E+00 Ellipticity 0.1923469E+01 Gb(Abramov) 0.4362642E-02 Vb(Abramov) -0.2964645E-02 Hb(Abramov) 0.1397997E-02 Ex_ueg -0.7519872E-03 Ec_ueg -0.1771566E-03 Delta_ex -0.1262173E-02 Delta_ec 0.8807421E-03 Delta_et -0.4913170E-02 Pxc 0.4244759E+01 Qxc -0.1433079E+01 3,-1 66 3 +1 -1.098835 -1.364460 -2.186563 Rho 0.2816836E-01 |GRAD(Rho)| 0.5909188E-16 GRAD(Rho)x 0.1784561E-16 GRAD(Rho)y -0.5585580E-16 GRAD(Rho)z -0.7315366E-17 Laplacian 0.1139560E+00 (-1/4)Del**2(Rho)) -0.2848900E-01 Diamond 0.1756977E-01 Metallicity 0.1576928E+01 Ellipticity -0.3819498E+01 Gb(Abramov) 0.2648019E-01 Vb(Abramov) -0.2447137E-01 Hb(Abramov) 0.2008815E-02 Ex_ueg -0.6329954E-02 Ec_ueg -0.1249522E-02 Delta_ex -0.7318177E-02 Delta_ec 0.1934317E-02 Delta_et -0.1757506E-01 Pxc 0.5065900E+01 Qxc -0.3783339E+01 3,+1 67 3 +1 -2.900070 0.151330 0.195899 Rho 0.5654815E-02 |GRAD(Rho)| 0.3145202E-17 GRAD(Rho)x 0.2267483E-17 GRAD(Rho)y 0.2002518E-17 GRAD(Rho)z 0.8606597E-18 Laplacian 0.2378696E-01 (-1/4)Del**2(Rho)) -0.5946740E-02 Diamond 0.6176179E-03 Metallicity 0.5199620E+00 Ellipticity -0.2482153E+01 Gb(Abramov) 0.4479840E-02 Vb(Abramov) -0.3012939E-02 Hb(Abramov) 0.1466900E-02 Ex_ueg -0.7440628E-03 Ec_ueg -0.1752001E-03 Delta_ex -0.1182239E-02 Delta_ec 0.6970608E-03 Delta_et -0.3948658E-02 Pxc 0.4246931E+01 Qxc -0.1696034E+01 3,+1 68 3 -1 -2.815648 -0.595655 1.782556 Rho 0.1424802E+00 |GRAD(Rho)| 0.1461963E-14 GRAD(Rho)x 0.4817585E-16 GRAD(Rho)y 0.9489751E-15 GRAD(Rho)z 0.1111063E-14 Laplacian 0.5965225E+00 (-1/4)Del**2(Rho)) -0.1491306E+00 Diamond 0.1115411E+01 Metallicity 0.4489972E+01 Ellipticity 0.2317592E-01 Gb(Abramov) 0.2110191E+00 Vb(Abramov) -0.2729077E+00 Hb(Abramov) -0.6188852E-01 Ex_ueg -0.5496137E-01 Ec_ueg -0.7963887E-02 Delta_ex -0.6303455E-01 Delta_ec 0.1492792E-01 Delta_et -0.1964026E+00 Pxc 0.6901325E+01 Qxc -0.4222594E+01 3,-1 69 3 +1 -1.690609 -0.539480 0.520663 Rho 0.8523905E-02 |GRAD(Rho)| 0.3268074E-14 GRAD(Rho)x 0.2489506E-14 GRAD(Rho)y 0.4049170E-15 GRAD(Rho)z -0.2078151E-14 Laplacian 0.3290101E-01 (-1/4)Del**2(Rho)) -0.8225251E-02 Diamond 0.8849586E-03 Metallicity 0.7449634E+00 Ellipticity -0.1474059E+01 Gb(Abramov) 0.6504753E-02 Vb(Abramov) -0.4784254E-02 Hb(Abramov) 0.1720499E-02 Ex_ueg -0.1285987E-02 Ec_ueg -0.3015767E-03 Delta_ex -0.1506548E-02 Delta_ec 0.4752511E-03 Delta_et -0.3230900E-02 Pxc 0.4264211E+01 Qxc -0.3170004E+01 3,+1 70 3 -1 -1.779324 0.522824 1.692872 Rho 0.4006932E-01 |GRAD(Rho)| 0.1185489E-15 GRAD(Rho)x 0.4862986E-16 GRAD(Rho)y 0.1077647E-15 GRAD(Rho)z -0.8703687E-17 Laplacian 0.1679761E+00 (-1/4)Del**2(Rho)) -0.4199403E-01 Diamond 0.6433095E-01 Metallicity 0.1924800E+01 Ellipticity 0.7726963E-02 Gb(Abramov) 0.4146770E-01 Vb(Abramov) -0.4094138E-01 Hb(Abramov) 0.5263271E-03 Ex_ueg -0.1012669E-01 Ec_ueg -0.1873785E-02 Delta_ex -0.1315874E-01 Delta_ec 0.5148610E-02 Delta_et -0.5120793E-01 Pxc 0.5404406E+01 Qxc -0.2555785E+01 3,-1 71 3 -1 -3.252340 0.025121 -3.147614 Rho 0.2541117E+00 |GRAD(Rho)| 0.5521688E-15 GRAD(Rho)x 0.2121784E-15 GRAD(Rho)y -0.1779718E-15 GRAD(Rho)z 0.4776995E-15 Laplacian 0.9301221E+00 (-1/4)Del**2(Rho)) -0.2325305E+00 Diamond 0.3504428E+01 Metallicity 0.7552909E+01 Ellipticity 0.1563534E-02 Gb(Abramov) 0.4477340E+00 Vb(Abramov) -0.6629374E+00 Hb(Abramov) -0.2152035E+00 Ex_ueg -0.1188734E+00 Ec_ueg -0.1542006E-01 Delta_ex -0.1139771E+00 Delta_ec 0.2002641E-01 Delta_et -0.2770050E+00 Pxc 0.7709006E+01 Qxc -0.5691340E+01 3,-1 72 3 -1 -2.727265 1.780411 -0.541484 Rho 0.1431676E+00 |GRAD(Rho)| 0.3190316E-14 GRAD(Rho)x 0.7744117E-15 GRAD(Rho)y 0.2368304E-14 GRAD(Rho)z 0.1992371E-14 Laplacian 0.5989086E+00 (-1/4)Del**2(Rho)) -0.1497272E+00 Diamond 0.1141830E+01 Metallicity 0.4508104E+01 Ellipticity 0.2268334E-01 Gb(Abramov) 0.2123157E+00 Vb(Abramov) -0.2749042E+00 Hb(Abramov) -0.6258854E-01 Ex_ueg -0.5531523E-01 Ec_ueg -0.8007587E-02 Delta_ex -0.6352545E-01 Delta_ec 0.1526241E-01 Delta_et -0.2015872E+00 Pxc 0.6907853E+01 Qxc -0.4162216E+01 3,-1 73 3 +1 -0.191525 -0.194768 -2.884705 Rho 0.5357969E-02 |GRAD(Rho)| 0.7949947E-17 GRAD(Rho)x 0.4357018E-17 GRAD(Rho)y -0.6530901E-17 GRAD(Rho)z 0.1251149E-17 Laplacian 0.2228392E-01 (-1/4)Del**2(Rho)) -0.5570980E-02 Diamond 0.5170930E-03 Metallicity 0.5073277E+00 Ellipticity -0.2113045E+01 Gb(Abramov) 0.4185038E-02 Vb(Abramov) -0.2799097E-02 Hb(Abramov) 0.1385941E-02 Ex_ueg -0.6924450E-03 Ec_ueg -0.1623500E-03 Delta_ex -0.1077841E-02 Delta_ec 0.6212702E-03 Delta_et -0.3477015E-02 Pxc 0.4265136E+01 Qxc -0.1734899E+01 3,+1 74 3 -1 -2.785539 0.523336 -1.764308 Rho 0.1388966E+00 |GRAD(Rho)| 0.2588605E-15 GRAD(Rho)x 0.1118998E-15 GRAD(Rho)y -0.1665606E-15 GRAD(Rho)z -0.1635383E-15 Laplacian 0.5807410E+00 (-1/4)Del**2(Rho)) -0.1451852E+00 Diamond 0.1077527E+01 Metallicity 0.4420280E+01 Ellipticity 0.2152617E-01 Gb(Abramov) 0.2037501E+00 Vb(Abramov) -0.2623149E+00 Hb(Abramov) -0.5856483E-01 Ex_ueg -0.5312599E-01 Ec_ueg -0.7736567E-02 Delta_ex -0.6125380E-01 Delta_ec 0.1510453E-01 Delta_et -0.1990150E+00 Pxc 0.6866868E+01 Qxc -0.4055327E+01 3,-1 75 3 -1 -3.268408 -0.087682 3.143785 Rho 0.2446756E+00 |GRAD(Rho)| 0.1023860E-14 GRAD(Rho)x -0.7636036E-15 GRAD(Rho)y -0.7853689E-16 GRAD(Rho)z 0.6775179E-15 Laplacian 0.8667966E+00 (-1/4)Del**2(Rho)) -0.2166992E+00 Diamond 0.3162234E+01 Metallicity 0.7609339E+01 Ellipticity 0.1490250E-02 Gb(Abramov) 0.4192890E+00 Vb(Abramov) -0.6218788E+00 Hb(Abramov) -0.2025898E+00 Ex_ueg -0.1130245E+00 Ec_ueg -0.1476292E-01 Delta_ex -0.1053839E+00 Delta_ec 0.1926630E-01 Delta_et -0.2680643E+00 Pxc 0.7655970E+01 Qxc -0.5469857E+01 3,-1 76 3 +1 1.663512 0.543880 0.520672 Rho 0.8675566E-02 |GRAD(Rho)| 0.3874057E-13 GRAD(Rho)x -0.1023173E-13 GRAD(Rho)y -0.3607887E-13 GRAD(Rho)z 0.9719005E-14 Laplacian 0.3377344E-01 (-1/4)Del**2(Rho)) -0.8443360E-02 Diamond 0.9214424E-03 Metallicity 0.7473675E+00 Ellipticity -0.1460162E+01 Gb(Abramov) 0.6680622E-02 Vb(Abramov) -0.4917884E-02 Hb(Abramov) 0.1762738E-02 Ex_ueg -0.1316585E-02 Ec_ueg -0.3083624E-03 Delta_ex -0.1549344E-02 Delta_ec 0.4806386E-03 Delta_et -0.3288172E-02 Pxc 0.4269602E+01 Qxc -0.3223512E+01 3,+1 77 3 -1 -3.018880 0.837807 1.954590 Rho 0.1288378E+00 |GRAD(Rho)| 0.1731311E-15 GRAD(Rho)x -0.6760001E-16 GRAD(Rho)y 0.1564097E-15 GRAD(Rho)z -0.3066937E-16 Laplacian 0.5087775E+00 (-1/4)Del**2(Rho)) -0.1271944E+00 Diamond 0.8528144E+00 Metallicity 0.4451341E+01 Ellipticity 0.6528247E-01 Gb(Abramov) 0.1791605E+00 Vb(Abramov) -0.2311266E+00 Hb(Abramov) -0.5196614E-01 Ex_ueg -0.4805917E-01 Ec_ueg -0.7102930E-02 Delta_ex -0.5257916E-01 Delta_ec 0.1326326E-01 Delta_et -0.1722918E+00 Pxc 0.6766105E+01 Qxc -0.3964271E+01 3,-1 78 3 +1 0.527025 -1.664909 -0.555547 Rho 0.8836173E-02 |GRAD(Rho)| 0.3028393E-15 GRAD(Rho)x -0.1788428E-15 GRAD(Rho)y 0.2225470E-15 GRAD(Rho)z 0.1009937E-15 Laplacian 0.3400830E-01 (-1/4)Del**2(Rho)) -0.8502075E-02 Diamond 0.9526023E-03 Metallicity 0.7652475E+00 Ellipticity -0.1483292E+01 Gb(Abramov) 0.6752415E-02 Vb(Abramov) -0.5002755E-02 Hb(Abramov) 0.1749660E-02 Ex_ueg -0.1349182E-02 Ec_ueg -0.3155595E-03 Delta_ex -0.1567926E-02 Delta_ec 0.4849600E-03 Delta_et -0.3332669E-02 Pxc 0.4275525E+01 Qxc -0.3233103E+01 3,+1 79 3 +3 -2.320829 -0.053264 0.003781 Rho 0.4892820E-02 |GRAD(Rho)| 0.1119467E-16 GRAD(Rho)x 0.9063148E-17 GRAD(Rho)y -0.4844779E-17 GRAD(Rho)z 0.4439375E-17 Laplacian 0.2022639E-01 (-1/4)Del**2(Rho)) -0.5056597E-02 Diamond 0.1948500E-03 Metallicity 0.4804264E+00 Ellipticity -0.3418258E+00 Gb(Abramov) 0.3775952E-02 Vb(Abramov) -0.2495307E-02 Hb(Abramov) 0.1280645E-02 Ex_ueg -0.6134757E-03 Ec_ueg -0.1423033E-03 Delta_ex -0.7497992E-03 Delta_ec 0.1876179E-03 Delta_et -0.1194386E-02 Pxc 0.4311043E+01 Qxc -0.3996416E+01 3,+3 80 3 +3 -0.016959 -0.017000 -2.332188 Rho 0.4793814E-02 |GRAD(Rho)| 0.7148901E-15 GRAD(Rho)x 0.2060382E-15 GRAD(Rho)y 0.6247150E-15 GRAD(Rho)z 0.2799058E-15 Laplacian 0.1961463E-01 (-1/4)Del**2(Rho)) -0.4903657E-02 Diamond 0.1895310E-03 Metallicity 0.4788156E+00 Ellipticity -0.3367105E+00 Gb(Abramov) 0.3660429E-02 Vb(Abramov) -0.2417202E-02 Hb(Abramov) 0.1243228E-02 Ex_ueg -0.5969802E-03 Ec_ueg -0.1380506E-03 Delta_ex -0.7289640E-03 Delta_ec 0.1920255E-03 Delta_et -0.1202589E-02 Pxc 0.4324359E+01 Qxc -0.3796184E+01 3,+3 81 3 +1 2.154702 1.302055 -1.171461 Rho 0.3003039E-01 |GRAD(Rho)| 0.1585016E-13 GRAD(Rho)x 0.1128088E-13 GRAD(Rho)y 0.1053395E-13 GRAD(Rho)z 0.3606260E-14 Laplacian 0.1239975E+00 (-1/4)Del**2(Rho)) -0.3099937E-01 Diamond 0.2257078E-01 Metallicity 0.1612384E+01 Ellipticity -0.8719000E+01 Gb(Abramov) 0.2899673E-01 Vb(Abramov) -0.2699409E-01 Hb(Abramov) 0.2002641E-02 Ex_ueg -0.6893921E-02 Ec_ueg -0.1345175E-02 Delta_ex -0.8245373E-02 Delta_ec 0.2361345E-02 Delta_et -0.2176184E-01 Pxc 0.5124926E+01 Qxc -0.3491812E+01 3,+1 82 3 -1 0.029254 -2.896146 0.027761 Rho 0.5200939E-02 |GRAD(Rho)| 0.1594823E-16 GRAD(Rho)x 0.8466275E-17 GRAD(Rho)y -0.1245878E-17 GRAD(Rho)z -0.1345793E-16 Laplacian 0.2078972E-01 (-1/4)Del**2(Rho)) -0.5197430E-02 Diamond 0.5861184E-03 Metallicity 0.5174885E+00 Ellipticity 0.3632134E+01 Gb(Abramov) 0.3913222E-02 Vb(Abramov) -0.2629014E-02 Hb(Abramov) 0.1284208E-02 Ex_ueg -0.6655194E-03 Ec_ueg -0.1555702E-03 Delta_ex -0.1107568E-02 Delta_ec 0.7725124E-03 Delta_et -0.4197874E-02 Pxc 0.4277935E+01 Qxc -0.1433722E+01 3,-1 83 3 +1 -1.274497 -2.189819 -1.193270 Rho 0.2758709E-01 |GRAD(Rho)| 0.9949641E-16 GRAD(Rho)x -0.2270060E-16 GRAD(Rho)y -0.9091064E-16 GRAD(Rho)z -0.3345856E-16 Laplacian 0.1137201E+00 (-1/4)Del**2(Rho)) -0.2843003E-01 Diamond 0.1953214E-01 Metallicity 0.1526227E+01 Ellipticity -0.2699541E+02 Gb(Abramov) 0.2618513E-01 Vb(Abramov) -0.2394023E-01 Hb(Abramov) 0.2244897E-02 Ex_ueg -0.6156393E-02 Ec_ueg -0.1219832E-02 Delta_ex -0.7499847E-02 Delta_ec 0.2354628E-02 Delta_et -0.2121989E-01 Pxc 0.5046918E+01 Qxc -0.3185152E+01 3,+1 84 3 +1 1.065994 -2.154803 1.398424 Rho 0.2720343E-01 |GRAD(Rho)| 0.1048278E-15 GRAD(Rho)x -0.8275916E-16 GRAD(Rho)y 0.3912515E-16 GRAD(Rho)z 0.5107843E-16 Laplacian 0.1090578E+00 (-1/4)Del**2(Rho)) -0.2726444E-01 Diamond 0.1572633E-01 Metallicity 0.1554758E+01 Ellipticity -0.3385860E+01 Gb(Abramov) 0.2524123E-01 Vb(Abramov) -0.2321801E-01 Hb(Abramov) 0.2023213E-02 Ex_ueg -0.6042500E-02 Ec_ueg -0.1200281E-02 Delta_ex -0.6909201E-02 Delta_ec 0.1799224E-02 Delta_et -0.1622001E-01 Pxc 0.5034238E+01 Qxc -0.3840101E+01 3,+1 85 3 -1 -1.955716 -3.034422 -0.864163 Rho 0.1336059E+00 |GRAD(Rho)| 0.3169898E-15 GRAD(Rho)x 0.2104775E-15 GRAD(Rho)y 0.2587177E-16 GRAD(Rho)z -0.2356107E-15 Laplacian 0.5182486E+00 (-1/4)Del**2(Rho)) -0.1295622E+00 Diamond 0.9091363E+00 Metallicity 0.4642848E+01 Ellipticity 0.4948729E-01 Gb(Abramov) 0.1866310E+00 Vb(Abramov) -0.2436998E+00 Hb(Abramov) -0.5706884E-01 Ex_ueg -0.5044513E-01 Ec_ueg -0.7402467E-02 Delta_ex -0.5405033E-01 Delta_ec 0.1342737E-01 Delta_et -0.1755012E+00 Pxc 0.6814638E+01 Qxc -0.4025384E+01 3,-1 86 3 -1 -1.777915 -2.817406 0.579051 Rho 0.1517842E+00 |GRAD(Rho)| 0.1727417E-15 GRAD(Rho)x -0.6982262E-16 GRAD(Rho)y -0.3231600E-16 GRAD(Rho)z 0.1546614E-15 Laplacian 0.6375232E+00 (-1/4)Del**2(Rho)) -0.1593808E+00 Diamond 0.1283616E+01 Metallicity 0.4668330E+01 Ellipticity 0.2815008E-01 Gb(Abramov) 0.2302609E+00 Vb(Abramov) -0.3011410E+00 Hb(Abramov) -0.7088009E-01 Ex_ueg -0.5979808E-01 Ec_ueg -0.8557828E-02 Delta_ex -0.6840060E-01 Delta_ec 0.1565865E-01 Delta_et -0.2076871E+00 Pxc 0.6987530E+01 Qxc -0.4368231E+01 3,-1 87 3 +1 -1.734915 1.716511 -1.741356 Rho 0.1231813E-01 |GRAD(Rho)| 0.2831434E-13 GRAD(Rho)x -0.3005843E-14 GRAD(Rho)y 0.1887188E-13 GRAD(Rho)z 0.2089304E-13 Laplacian 0.6199059E-01 (-1/4)Del**2(Rho)) -0.1549765E-01 Diamond 0.2578661E-02 Metallicity 0.7303456E+00 Ellipticity -0.1263694E+01 Gb(Abramov) 0.1221821E-01 Vb(Abramov) -0.8938763E-02 Hb(Abramov) 0.3279443E-02 Ex_ueg -0.2101090E-02 Ec_ueg -0.4742747E-03 Delta_ex -0.3069329E-02 Delta_ec 0.8065893E-03 Delta_et -0.6085377E-02 Pxc 0.4430111E+01 Qxc -0.3805318E+01 3,+1 88 3 +1 -0.496020 1.654632 -0.587179 Rho 0.9197278E-02 |GRAD(Rho)| 0.9084958E-13 GRAD(Rho)x -0.8541242E-13 GRAD(Rho)y 0.2261773E-13 GRAD(Rho)z 0.2113773E-13 Laplacian 0.3698993E-01 (-1/4)Del**2(Rho)) -0.9247483E-02 Diamond 0.1109842E-02 Metallicity 0.7521340E+00 Ellipticity -0.1463964E+01 Gb(Abramov) 0.7324213E-02 Vb(Abramov) -0.5400943E-02 Hb(Abramov) 0.1923270E-02 Ex_ueg -0.1423194E-02 Ec_ueg -0.3317826E-03 Delta_ex -0.1729217E-02 Delta_ec 0.5389245E-03 Delta_et -0.3732889E-02 Pxc 0.4289539E+01 Qxc -0.3208644E+01 3,+1 89 3 +3 -0.042438 0.021902 2.317147 Rho 0.4353661E-02 |GRAD(Rho)| 0.1303228E-17 GRAD(Rho)x 0.7067110E-18 GRAD(Rho)y 0.7228639E-18 GRAD(Rho)z 0.8224545E-18 Laplacian 0.1755013E-01 (-1/4)Del**2(Rho)) -0.4387533E-02 Diamond 0.1463972E-03 Metallicity 0.4557820E+00 Ellipticity -0.3106984E+00 Gb(Abramov) 0.3258315E-02 Vb(Abramov) -0.2129097E-02 Hb(Abramov) 0.1129218E-02 Ex_ueg -0.5250386E-03 Ec_ueg -0.1192051E-03 Delta_ex -0.6338245E-03 Delta_ec 0.1669977E-03 Delta_et -0.1027886E-02 Pxc 0.4404497E+01 Qxc -0.3795408E+01 3,+3 90 3 -1 -1.706508 1.727710 0.510483 Rho 0.5975627E-01 |GRAD(Rho)| 0.1887540E-15 GRAD(Rho)x 0.7575100E-16 GRAD(Rho)y -0.1494192E-15 GRAD(Rho)z 0.8696995E-16 Laplacian 0.2428436E+00 (-1/4)Del**2(Rho)) -0.6071090E-01 Diamond 0.1530295E+00 Metallicity 0.2591745E+01 Ellipticity 0.1198954E-01 Gb(Abramov) 0.6669847E-01 Vb(Abramov) -0.7268603E-01 Hb(Abramov) -0.5987564E-02 Ex_ueg -0.1725426E-01 Ec_ueg -0.2960866E-02 Delta_ex -0.2078252E-01 Delta_ec 0.6993478E-02 Delta_et -0.7710004E-01 Pxc 0.5827438E+01 Qxc -0.2971700E+01 3,-1 91 3 -1 -1.767703 2.748873 -0.557213 Rho 0.1796187E+00 |GRAD(Rho)| 0.3568164E-15 GRAD(Rho)x 0.2296611E-15 GRAD(Rho)y 0.3680866E-16 GRAD(Rho)z 0.2705898E-15 Laplacian 0.7581833E+00 (-1/4)Del**2(Rho)) -0.1895458E+00 Diamond 0.1878197E+01 Metallicity 0.5197065E+01 Ellipticity 0.1954967E-01 Gb(Abramov) 0.2905442E+00 Vb(Abramov) -0.3915426E+00 Hb(Abramov) -0.1009984E+00 Ex_ueg -0.7484918E-01 Ec_ueg -0.1036579E-01 Delta_ex -0.8492304E-01 Delta_ec 0.1795872E-01 Delta_et -0.2431861E+00 Pxc 0.7220789E+01 Qxc -0.4728792E+01 3,-1 92 3 -1 -2.014526 -0.872720 -2.985544 Rho 0.1414265E+00 |GRAD(Rho)| 0.3621478E-15 GRAD(Rho)x 0.1667096E-15 GRAD(Rho)y -0.2724465E-15 GRAD(Rho)z -0.1706805E-15 Laplacian 0.5521275E+00 (-1/4)Del**2(Rho)) -0.1380319E+00 Diamond 0.1050548E+01 Metallicity 0.4791353E+01 Ellipticity 0.3215469E-01 Gb(Abramov) 0.2022479E+00 Vb(Abramov) -0.2664638E+00 Hb(Abramov) -0.6421596E-01 Ex_ueg -0.5442010E-01 Ec_ueg -0.7896963E-02 Delta_ex -0.5853148E-01 Delta_ec 0.1436779E-01 Delta_et -0.1899753E+00 Pxc 0.6891269E+01 Qxc -0.4073797E+01 3,-1 93 3 +1 -1.759559 -1.759913 1.742193 Rho 0.1192817E-01 |GRAD(Rho)| 0.6891530E-13 GRAD(Rho)x 0.5829813E-13 GRAD(Rho)y -0.2225785E-13 GRAD(Rho)z 0.2924441E-13 Laplacian 0.6007680E-01 (-1/4)Del**2(Rho)) -0.1501920E-01 Diamond 0.2402543E-02 Metallicity 0.7142705E+00 Ellipticity -0.1248852E+01 Gb(Abramov) 0.1180076E-01 Vb(Abramov) -0.8582324E-02 Hb(Abramov) 0.3218438E-02 Ex_ueg -0.2012875E-02 Ec_ueg -0.4562541E-03 Delta_ex -0.2952735E-02 Delta_ec 0.7875946E-03 Delta_et -0.5890967E-02 Pxc 0.4411741E+01 Qxc -0.3749055E+01 3,+1 94 3 +1 -2.165597 -1.456021 -1.041833 Rho 0.2770040E-01 |GRAD(Rho)| 0.1298399E-15 GRAD(Rho)x 0.1176787E-15 GRAD(Rho)y 0.5417505E-16 GRAD(Rho)z 0.8672077E-17 Laplacian 0.1105504E+00 (-1/4)Del**2(Rho)) -0.2763760E-01 Diamond 0.1527526E-01 Metallicity 0.1580749E+01 Ellipticity -0.2704525E+01 Gb(Abramov) 0.2570642E-01 Vb(Abramov) -0.2377524E-01 Hb(Abramov) 0.1931184E-02 Ex_ueg -0.6190129E-02 Ec_ueg -0.1225613E-02 Delta_ex -0.6936787E-02 Delta_ec 0.1643036E-02 Delta_et -0.1490485E-01 Pxc 0.5050640E+01 Qxc -0.4221933E+01 3,+1 95 3 -1 -0.537486 -1.729131 -1.763205 Rho 0.4335226E-01 |GRAD(Rho)| 0.1496518E-15 GRAD(Rho)x 0.2235881E-16 GRAD(Rho)y -0.1173640E-15 GRAD(Rho)z -0.9011901E-16 Laplacian 0.1835642E+00 (-1/4)Del**2(Rho)) -0.4589106E-01 Diamond 0.7830827E-01 Metallicity 0.2008374E+01 Ellipticity 0.8303529E-02 Gb(Abramov) 0.4595511E-01 Vb(Abramov) -0.4601916E-01 Hb(Abramov) -0.6404986E-04 Ex_ueg -0.1124779E-01 Ec_ueg -0.2050848E-02 Delta_ex -0.1466577E-01 Delta_ec 0.5629656E-02 Delta_et -0.5719616E-01 Pxc 0.5484460E+01 Qxc -0.2605092E+01 3,-1 96 3 +1 -1.005085 2.145075 1.465559 Rho 0.2813980E-01 |GRAD(Rho)| 0.2803447E-16 GRAD(Rho)x 0.9899840E-17 GRAD(Rho)y -0.1001712E-16 GRAD(Rho)z -0.2424009E-16 Laplacian 0.1137186E+00 (-1/4)Del**2(Rho)) -0.2842965E-01 Diamond 0.1446215E-01 Metallicity 0.1577551E+01 Ellipticity -0.2093373E+01 Gb(Abramov) 0.2642797E-01 Vb(Abramov) -0.2442629E-01 Hb(Abramov) 0.2001680E-02 Ex_ueg -0.6321397E-02 Ec_ueg -0.1248061E-02 Delta_ex -0.7018353E-02 Delta_ec 0.1425758E-02 Delta_et -0.1302319E-01 Pxc 0.5064973E+01 Qxc -0.4922542E+01 3,+1 97 3 -1 -1.861633 -0.578942 2.756717 Rho 0.1283602E+00 |GRAD(Rho)| 0.3927827E-16 GRAD(Rho)x -0.2881267E-16 GRAD(Rho)y 0.2605473E-16 GRAD(Rho)z -0.5810646E-17 Laplacian 0.5354766E+00 (-1/4)Del**2(Rho)) -0.1338691E+00 Diamond 0.8910870E+00 Metallicity 0.4203295E+01 Ellipticity 0.4811060E-02 Gb(Abramov) 0.1830280E+00 Vb(Abramov) -0.2321869E+00 Hb(Abramov) -0.4915887E-01 Ex_ueg -0.4782175E-01 Ec_ueg -0.7073007E-02 Delta_ex -0.5525834E-01 Delta_ec 0.1391732E-01 Delta_et -0.1805792E+00 Pxc 0.6761163E+01 Qxc -0.3970473E+01 3,-1 98 3 +1 0.505432 0.558823 1.662513 Rho 0.8213583E-02 |GRAD(Rho)| 0.5950569E-14 GRAD(Rho)x -0.5328323E-14 GRAD(Rho)y 0.1591786E-14 GRAD(Rho)z -0.2117655E-14 Laplacian 0.3161799E-01 (-1/4)Del**2(Rho)) -0.7904498E-02 Diamond 0.8100851E-03 Metallicity 0.7287300E+00 Ellipticity -0.1463453E+01 Gb(Abramov) 0.6229706E-02 Vb(Abramov) -0.4554914E-02 Hb(Abramov) 0.1674792E-02 Ex_ueg -0.1223945E-02 Ec_ueg -0.2877241E-03 Delta_ex -0.1435094E-02 Delta_ec 0.4580193E-03 Delta_et -0.3082908E-02 Pxc 0.4253885E+01 Qxc -0.3133261E+01 3,+1 99 3 +1 -0.148081 0.120244 2.905806 Rho 0.5026683E-02 |GRAD(Rho)| 0.1506806E-13 GRAD(Rho)x 0.1438280E-13 GRAD(Rho)y -0.1420650E-14 GRAD(Rho)z -0.4261835E-14 Laplacian 0.2050492E-01 (-1/4)Del**2(Rho)) -0.5126229E-02 Diamond 0.5005748E-03 Metallicity 0.4957062E+00 Ellipticity -0.4073128E+01 Gb(Abramov) 0.3841003E-02 Vb(Abramov) -0.2555777E-02 Hb(Abramov) 0.1285226E-02 Ex_ueg -0.6359560E-03 Ec_ueg -0.1480613E-03 Delta_ex -0.1038017E-02 Delta_ec 0.6769034E-03 Delta_et -0.3669419E-02 Pxc 0.4295222E+01 Qxc -0.1533479E+01 3,+1 100 3 +3 -1.085771 1.101090 -1.147509 Rho 0.5434743E-02 |GRAD(Rho)| 0.1419998E-14 GRAD(Rho)x 0.1419057E-14 GRAD(Rho)y 0.3063580E-16 GRAD(Rho)z 0.4164342E-16 Laplacian 0.2162268E-01 (-1/4)Del**2(Rho)) -0.5405669E-02 Diamond 0.1689086E-03 Metallicity 0.5353880E+00 Ellipticity -0.2155779E+00 Gb(Abramov) 0.4086135E-02 Vb(Abramov) -0.2766600E-02 Hb(Abramov) 0.1319535E-02 Ex_ueg -0.7057058E-03 Ec_ueg -0.1656693E-03 Delta_ex -0.7642793E-03 Delta_ec 0.9469228E-04 Delta_et -0.7618922E-03 Pxc 0.4259727E+01 Qxc -0.8071190E+01 3,+3 101 3 -1 -1.837998 0.520821 -2.752906 Rho 0.1233225E+00 |GRAD(Rho)| 0.1858942E-09 GRAD(Rho)x 0.1344679E-09 GRAD(Rho)y 0.1210323E-09 GRAD(Rho)z -0.4273422E-10 Laplacian 0.5179066E+00 (-1/4)Del**2(Rho)) -0.1294767E+00 Diamond 0.8344601E+00 Metallicity 0.4065358E+01 Ellipticity 0.1764496E-01 Gb(Abramov) 0.1740459E+00 Vb(Abramov) -0.2186152E+00 Hb(Abramov) -0.4456928E-01 Ex_ueg -0.4533581E-01 Ec_ueg -0.6758342E-02 Delta_ex -0.5310198E-01 Delta_ec 0.1389217E-01 Delta_et -0.1795969E+00 Pxc 0.6708127E+01 Qxc -0.3822440E+01 3,-1 102 3 +1 -1.400746 1.071994 2.140219 Rho 0.2641845E-01 |GRAD(Rho)| 0.1547160E-16 GRAD(Rho)x 0.8999761E-17 GRAD(Rho)y -0.2003239E-17 GRAD(Rho)z -0.1242425E-16 Laplacian 0.1056098E+00 (-1/4)Del**2(Rho)) -0.2640246E-01 Diamond 0.1560783E-01 Metallicity 0.1529048E+01 Ellipticity -0.4773678E+01 Gb(Abramov) 0.2433008E-01 Vb(Abramov) -0.2225770E-01 Hb(Abramov) 0.2072380E-02 Ex_ueg -0.5811144E-02 Ec_ueg -0.1160393E-02 Delta_ex -0.6737176E-02 Delta_ec 0.1919073E-02 Delta_et -0.1714484E-01 Pxc 0.5007910E+01 Qxc -0.3510642E+01 3,+1 103 3 -1 -2.042833 0.811799 2.962552 Rho 0.1225168E+00 |GRAD(Rho)| 0.3893259E-15 GRAD(Rho)x -0.2405777E-15 GRAD(Rho)y -0.1830337E-15 GRAD(Rho)z -0.2453482E-15 Laplacian 0.4778919E+00 (-1/4)Del**2(Rho)) -0.1194730E+00 Diamond 0.7546275E+00 Metallicity 0.4357891E+01 Ellipticity 0.3533065E-01 Gb(Abramov) 0.1664237E+00 Vb(Abramov) -0.2133744E+00 Hb(Abramov) -0.4695071E-01 Ex_ueg -0.4494134E-01 Ec_ueg -0.6708178E-02 Delta_ex -0.4880100E-01 Delta_ec 0.1262149E-01 Delta_et -0.1626195E+00 Pxc 0.6699485E+01 Qxc -0.3866501E+01 3,-1 104 3 +1 0.510201 1.659851 0.512874 Rho 0.8920111E-02 |GRAD(Rho)| 0.9138616E-12 GRAD(Rho)x 0.7675112E-12 GRAD(Rho)y 0.8781367E-13 GRAD(Rho)z -0.4882195E-12 Laplacian 0.3467871E-01 (-1/4)Del**2(Rho)) -0.8669676E-02 Diamond 0.9792388E-03 Metallicity 0.7623728E+00 Ellipticity -0.1469647E+01 Gb(Abramov) 0.6881372E-02 Vb(Abramov) -0.5093067E-02 Hb(Abramov) 0.1788304E-02 Ex_ueg -0.1366298E-02 Ec_ueg -0.3193254E-03 Delta_ex -0.1600632E-02 Delta_ec 0.4908858E-03 Delta_et -0.3384493E-02 Pxc 0.4278701E+01 Qxc -0.3260702E+01 3,+1 105 3 +1 1.746383 -1.740318 -1.737676 Rho 0.1218920E-01 |GRAD(Rho)| 0.6186523E-12 GRAD(Rho)x -0.3764087E-12 GRAD(Rho)y -0.4706016E-12 GRAD(Rho)z -0.1399332E-12 Laplacian 0.6157028E-01 (-1/4)Del**2(Rho)) -0.1539257E-01 Diamond 0.2521507E-02 Metallicity 0.7225494E+00 Ellipticity -0.1250828E+01 Gb(Abramov) 0.1211536E-01 Vb(Abramov) -0.8838154E-02 Hb(Abramov) 0.3277208E-02 Ex_ueg -0.2071821E-02 Ec_ueg -0.4683103E-03 Delta_ex -0.3039218E-02 Delta_ec 0.7996194E-03 Delta_et -0.6018448E-02 Pxc 0.4424034E+01 Qxc -0.3800831E+01 3,+1 106 3 +1 -0.533220 -1.675006 0.533673 Rho 0.8596040E-02 |GRAD(Rho)| 0.1313134E-15 GRAD(Rho)x 0.1028386E-15 GRAD(Rho)y 0.2614435E-16 GRAD(Rho)z 0.7735573E-16 Laplacian 0.3329198E-01 (-1/4)Del**2(Rho)) -0.8322994E-02 Diamond 0.9152012E-03 Metallicity 0.7466280E+00 Ellipticity -0.1486470E+01 Gb(Abramov) 0.6584360E-02 Vb(Abramov) -0.4845725E-02 Hb(Abramov) 0.1738635E-02 Ex_ueg -0.1300518E-02 Ec_ueg -0.3048029E-03 Delta_ex -0.1531922E-02 Delta_ec 0.4884549E-03 Delta_et -0.3321936E-02 Pxc 0.4266749E+01 Qxc -0.3136261E+01 3,+1 107 3 -1 -0.835560 -2.987955 -2.038191 Rho 0.1313540E+00 |GRAD(Rho)| 0.4977122E-15 GRAD(Rho)x -0.2450161E-15 GRAD(Rho)y -0.3475410E-15 GRAD(Rho)z 0.2586500E-15 Laplacian 0.5118611E+00 (-1/4)Del**2(Rho)) -0.1279653E+00 Diamond 0.8796192E+00 Metallicity 0.4569477E+01 Ellipticity 0.4606457E-01 Gb(Abramov) 0.1827659E+00 Vb(Abramov) -0.2375666E+00 Hb(Abramov) -0.5480064E-01 Ex_ueg -0.4931467E-01 Ec_ueg -0.7260812E-02 Delta_ex -0.5316302E-01 Delta_ec 0.1331291E-01 Delta_et -0.1735325E+00 Pxc 0.6791894E+01 Qxc -0.3993344E+01 3,-1 108 3 -1 -0.534209 -2.756169 1.860018 Rho 0.1096425E+00 |GRAD(Rho)| 0.2978299E-15 GRAD(Rho)x -0.4149784E-16 GRAD(Rho)y -0.2710505E-16 GRAD(Rho)z -0.2936765E-15 Laplacian 0.4543963E+00 (-1/4)Del**2(Rho)) -0.1135991E+00 Diamond 0.6278349E+00 Metallicity 0.3808993E+01 Ellipticity 0.1031329E-01 Gb(Abramov) 0.1478491E+00 Vb(Abramov) -0.1820991E+00 Hb(Abramov) -0.3424999E-01 Ex_ueg -0.3875763E-01 Ec_ueg -0.5912776E-02 Delta_ex -0.4519270E-01 Delta_ec 0.1231462E-01 Delta_et -0.1555708E+00 Pxc 0.6554895E+01 Qxc -0.3669842E+01 3,-1 109 3 -1 -0.549128 1.708294 1.745664 Rho 0.4116148E-01 |GRAD(Rho)| 0.3095234E-13 GRAD(Rho)x 0.1121484E-13 GRAD(Rho)y 0.1892919E-13 GRAD(Rho)z 0.2177063E-13 Laplacian 0.1730528E+00 (-1/4)Del**2(Rho)) -0.4326319E-01 Diamond 0.6893313E-01 Metallicity 0.1953977E+01 Ellipticity 0.1890835E-01 Gb(Abramov) 0.4293135E-01 Vb(Abramov) -0.4259950E-01 Hb(Abramov) 0.3318480E-03 Ex_ueg -0.1049638E-01 Ec_ueg -0.1932479E-02 Delta_ex -0.1365726E-01 Delta_ec 0.5322334E-02 Delta_et -0.5332515E-01 Pxc 0.5431565E+01 Qxc -0.2566029E+01 3,-1 110 3 -1 -0.872062 1.945303 3.014791 Rho 0.1418376E+00 |GRAD(Rho)| 0.1642110E-13 GRAD(Rho)x -0.7529838E-14 GRAD(Rho)y -0.1338621E-13 GRAD(Rho)z -0.5810632E-14 Laplacian 0.5523657E+00 (-1/4)Del**2(Rho)) -0.1380914E+00 Diamond 0.1038248E+01 Metallicity 0.4812513E+01 Ellipticity 0.5707575E-01 Gb(Abramov) 0.2028221E+00 Vb(Abramov) -0.2675527E+00 Hb(Abramov) -0.6473065E-01 Ex_ueg -0.5463111E-01 Ec_ueg -0.7923065E-02 Delta_ex -0.5842181E-01 Delta_ec 0.1404911E-01 Delta_et -0.1851815E+00 Pxc 0.6895199E+01 Qxc -0.4158401E+01 3,-1 111 3 +3 0.026294 2.311007 -0.044205 Rho 0.4857470E-02 |GRAD(Rho)| 0.3523668E-15 GRAD(Rho)x 0.1775210E-15 GRAD(Rho)y 0.1095227E-15 GRAD(Rho)z -0.2839954E-15 Laplacian 0.2019300E-01 (-1/4)Del**2(Rho)) -0.5048251E-02 Diamond 0.1958807E-03 Metallicity 0.4754402E+00 Ellipticity -0.3774775E+00 Gb(Abramov) 0.3765524E-02 Vb(Abramov) -0.2482797E-02 Hb(Abramov) 0.1282727E-02 Ex_ueg -0.6075732E-03 Ec_ueg -0.1407843E-03 Delta_ex -0.7503147E-03 Delta_ec 0.1929239E-03 Delta_et -0.1218309E-02 Pxc 0.4315631E+01 Qxc -0.3889174E+01 3,+3 112 3 +1 2.885792 -0.164886 0.186586 Rho 0.5323566E-02 |GRAD(Rho)| 0.4932588E-17 GRAD(Rho)x -0.5313902E-18 GRAD(Rho)y -0.4359862E-17 GRAD(Rho)z -0.2244916E-17 Laplacian 0.2214673E-01 (-1/4)Del**2(Rho)) -0.5536682E-02 Diamond 0.5339578E-03 Metallicity 0.5050192E+00 Ellipticity -0.2465943E+01 Gb(Abramov) 0.4157143E-02 Vb(Abramov) -0.2777604E-02 Hb(Abramov) 0.1379539E-02 Ex_ueg -0.6865232E-03 Ec_ueg -0.1608636E-03 Delta_ex -0.1090718E-02 Delta_ec 0.6547824E-03 Delta_et -0.3640669E-02 Pxc 0.4267734E+01 Qxc -0.1665772E+01 3,+1 113 3 -1 -0.566265 -1.794682 2.812621 Rho 0.1363911E+00 |GRAD(Rho)| 0.5267021E-13 GRAD(Rho)x -0.5111771E-13 GRAD(Rho)y -0.1650684E-14 GRAD(Rho)z -0.1258596E-13 Laplacian 0.5720337E+00 (-1/4)Del**2(Rho)) -0.1430084E+00 Diamond 0.1019983E+01 Metallicity 0.4353463E+01 Ellipticity 0.2004373E-01 Gb(Abramov) 0.1991026E+00 Vb(Abramov) -0.2551968E+00 Hb(Abramov) -0.5609417E-01 Ex_ueg -0.5185210E-01 Ec_ueg -0.7578123E-02 Delta_ex -0.5986104E-01 Delta_ec 0.1457161E-01 Delta_et -0.1907121E+00 Pxc 0.6842340E+01 Qxc -0.4108059E+01 3,-1 114 3 +3 -0.008392 -2.337487 -0.006956 Rho 0.4577139E-02 |GRAD(Rho)| 0.9570471E-15 GRAD(Rho)x 0.4738775E-15 GRAD(Rho)y 0.7160570E-15 GRAD(Rho)z 0.4226601E-15 Laplacian 0.1855533E-01 (-1/4)Del**2(Rho)) -0.4638832E-02 Diamond 0.1695438E-03 Metallicity 0.4685990E+00 Ellipticity -0.3268758E+00 Gb(Abramov) 0.3454847E-02 Vb(Abramov) -0.2270862E-02 Hb(Abramov) 0.1183985E-02 Ex_ueg -0.5612770E-03 Ec_ueg -0.1287610E-03 Delta_ex -0.6827548E-03 Delta_ec 0.1838114E-03 Delta_et -0.1135420E-02 Pxc 0.4359060E+01 Qxc -0.3714432E+01 3,+3 115 3 +1 -0.572933 -0.522149 1.654957 Rho 0.8193700E-02 |GRAD(Rho)| 0.2598979E-15 GRAD(Rho)x -0.1181293E-15 GRAD(Rho)y 0.2123798E-15 GRAD(Rho)z -0.9212620E-16 Laplacian 0.3146733E-01 (-1/4)Del**2(Rho)) -0.7866832E-02 Diamond 0.8122990E-03 Metallicity 0.7292673E+00 Ellipticity -0.1477934E+01 Gb(Abramov) 0.6200725E-02 Vb(Abramov) -0.4534619E-02 Hb(Abramov) 0.1666107E-02 Ex_ueg -0.1219996E-02 Ec_ueg -0.2868380E-03 Delta_ex -0.1431584E-02 Delta_ec 0.4633280E-03 Delta_et -0.3110680E-02 Pxc 0.4253259E+01 Qxc -0.3089784E+01 3,+1 116 3 -1 -0.480688 -0.479458 -0.488835 Rho 0.1887933E+00 |GRAD(Rho)| 0.2691173E-14 GRAD(Rho)x 0.3955170E-15 GRAD(Rho)y -0.1797174E-14 GRAD(Rho)z 0.1963707E-14 Laplacian 0.5267840E+00 (-1/4)Del**2(Rho)) -0.1316960E+00 Diamond 0.1432313E+01 Metallicity 0.8127525E+01 Ellipticity 0.2705284E-02 Gb(Abramov) 0.2661911E+00 Vb(Abramov) -0.4006862E+00 Hb(Abramov) -0.1344951E+00 Ex_ueg -0.7998967E-01 Ec_ueg -0.1097159E-01 Delta_ex -0.6009767E-01 Delta_ec 0.1292549E-01 Delta_et -0.1778430E+00 Pxc 0.7290621E+01 Qxc -0.4649545E+01 3,-1 117 3 +1 0.176055 2.890274 -0.207259 Rho 0.5486147E-02 |GRAD(Rho)| 0.9167326E-17 GRAD(Rho)x 0.7637464E-17 GRAD(Rho)y -0.6885524E-18 GRAD(Rho)z 0.5023436E-17 Laplacian 0.2302475E-01 (-1/4)Del**2(Rho)) -0.5756189E-02 Diamond 0.5462322E-03 Metallicity 0.5107369E+00 Ellipticity -0.2031366E+01 Gb(Abramov) 0.4327442E-02 Vb(Abramov) -0.2898695E-02 Hb(Abramov) 0.1428747E-02 Ex_ueg -0.7146197E-03 Ec_ueg -0.1678933E-03 Delta_ex -0.1114671E-02 Delta_ec 0.6341177E-03 Delta_et -0.3577349E-02 Pxc 0.4256392E+01 Qxc -0.1757830E+01 3,+1 118 3 -1 -0.550796 2.718341 -1.858113 Rho 0.9509019E-01 |GRAD(Rho)| 0.1696828E-15 GRAD(Rho)x 0.8212831E-16 GRAD(Rho)y -0.4684770E-16 GRAD(Rho)z -0.1408988E-15 Laplacian 0.3889317E+00 (-1/4)Del**2(Rho)) -0.9723292E-01 Diamond 0.4555963E+00 Metallicity 0.3509937E+01 Ellipticity 0.2016294E-01 Gb(Abramov) 0.1217022E+00 Vb(Abramov) -0.1461715E+00 Hb(Abramov) -0.2446927E-01 Ex_ueg -0.3205526E-01 Ec_ueg -0.5028605E-02 Delta_ex -0.3746932E-01 Delta_ec 0.1097823E-01 Delta_et -0.1350090E+00 Pxc 0.6374583E+01 Qxc -0.3413057E+01 3,-1 119 3 +1 1.220625 1.235722 -2.202146 Rho 0.2772860E-01 |GRAD(Rho)| 0.3062551E-16 GRAD(Rho)x 0.6713937E-17 GRAD(Rho)y 0.6449300E-17 GRAD(Rho)z -0.2917622E-16 Laplacian 0.1128169E+00 (-1/4)Del**2(Rho)) -0.2820421E-01 Diamond 0.1872373E-01 Metallicity 0.1551622E+01 Ellipticity -0.9318622E+01 Gb(Abramov) 0.2609652E-01 Vb(Abramov) -0.2398883E-01 Hb(Abramov) 0.2107693E-02 Ex_ueg -0.6198534E-02 Ec_ueg -0.1227052E-02 Delta_ex -0.7375483E-02 Delta_ec 0.2202540E-02 Delta_et -0.1989228E-01 Pxc 0.5051564E+01 Qxc -0.3348626E+01 3,+1 120 3 -1 -0.857285 2.942642 2.028860 Rho 0.1120242E+00 |GRAD(Rho)| 0.4092371E-15 GRAD(Rho)x 0.1973790E-15 GRAD(Rho)y 0.8839636E-17 GRAD(Rho)z 0.3583830E-15 Laplacian 0.4413712E+00 (-1/4)Del**2(Rho)) -0.1103428E+00 Diamond 0.6265522E+00 Metallicity 0.4064390E+01 Ellipticity 0.4326552E-01 Gb(Abramov) 0.1483079E+00 Vb(Abramov) -0.1862730E+00 Hb(Abramov) -0.3796509E-01 Ex_ueg -0.3988418E-01 Ec_ueg -0.6059020E-02 Delta_ex -0.4413163E-01 Delta_ec 0.1192216E-01 Delta_et -0.1512374E+00 Pxc 0.6582613E+01 Qxc -0.3701648E+01 3,-1 121 3 -1 -0.104947 2.873046 0.098361 Rho 0.5623105E-02 |GRAD(Rho)| 0.1454590E-14 GRAD(Rho)x -0.7898297E-15 GRAD(Rho)y -0.1024112E-14 GRAD(Rho)z 0.6657292E-15 Laplacian 0.2315871E-01 (-1/4)Del**2(Rho)) -0.5789679E-02 Diamond 0.6969466E-03 Metallicity 0.5290853E+00 Ellipticity 0.1382859E+02 Gb(Abramov) 0.4370325E-02 Vb(Abramov) -0.2950971E-02 Hb(Abramov) 0.1419354E-02 Ex_ueg -0.7385048E-03 Ec_ueg -0.1738253E-03 Delta_ex -0.1229248E-02 Delta_ec 0.8206550E-03 Delta_et -0.4580238E-02 Pxc 0.4248545E+01 Qxc -0.1497887E+01 3,-1 122 3 -1 -0.032501 0.007706 2.905973 Rho 0.5036872E-02 |GRAD(Rho)| 0.2874413E-14 GRAD(Rho)x 0.1964671E-14 GRAD(Rho)y -0.1935649E-14 GRAD(Rho)z 0.8096784E-15 Laplacian 0.2017013E-01 (-1/4)Del**2(Rho)) -0.5042533E-02 Diamond 0.5509702E-03 Metallicity 0.5056375E+00 Ellipticity 0.4394745E+01 Gb(Abramov) 0.3786638E-02 Vb(Abramov) -0.2530742E-02 Hb(Abramov) 0.1255895E-02 Ex_ueg -0.6376753E-03 Ec_ueg -0.1484999E-03 Delta_ex -0.1074083E-02 Delta_ec 0.7598007E-03 Delta_et -0.4085111E-02 Pxc 0.4294113E+01 Qxc -0.1413638E+01 3,-1 123 3 -1 -0.488102 0.474147 0.436297 Rho 0.1839417E+00 |GRAD(Rho)| 0.7826276E-15 GRAD(Rho)x 0.4649059E-15 GRAD(Rho)y -0.6071532E-15 GRAD(Rho)z -0.1665335E-15 Laplacian 0.5016379E+00 (-1/4)Del**2(Rho)) -0.1254095E+00 Diamond 0.1328104E+01 Metallicity 0.8172527E+01 Ellipticity 0.1156723E-01 Gb(Abramov) 0.2544251E+00 Vb(Abramov) -0.3834406E+00 Hb(Abramov) -0.1290156E+00 Ex_ueg -0.7726069E-01 Ec_ueg -0.1065064E-01 Delta_ex -0.5690198E-01 Delta_ec 0.1247646E-01 Delta_et -0.1714409E+00 Pxc 0.7254091E+01 Qxc -0.4560748E+01 3,-1 124 3 +1 0.163335 0.162907 -2.878444 Rho 0.5434387E-02 |GRAD(Rho)| 0.8708804E-17 GRAD(Rho)x 0.5592595E-17 GRAD(Rho)y 0.6670490E-17 GRAD(Rho)z 0.2659185E-18 Laplacian 0.2237631E-01 (-1/4)Del**2(Rho)) -0.5594077E-02 Diamond 0.5735646E-03 Metallicity 0.5172999E+00 Ellipticity -0.3330468E+01 Gb(Abramov) 0.4211687E-02 Vb(Abramov) -0.2829297E-02 Hb(Abramov) 0.1382390E-02 Ex_ueg -0.7056443E-03 Ec_ueg -0.1656539E-03 Delta_ex -0.1122270E-02 Delta_ec 0.6896189E-03 Delta_et -0.3846010E-02 Pxc 0.4259751E+01 Qxc -0.1627377E+01 3,+1 125 3 +1 2.167054 -1.121377 1.319110 Rho 0.2770895E-01 |GRAD(Rho)| 0.5575759E-16 GRAD(Rho)x -0.5424797E-16 GRAD(Rho)y 0.5330592E-17 GRAD(Rho)z -0.1173248E-16 Laplacian 0.1129377E+00 (-1/4)Del**2(Rho)) -0.2823441E-01 Diamond 0.1813903E-01 Metallicity 0.1548131E+01 Ellipticity -0.5821159E+01 Gb(Abramov) 0.2610804E-01 Vb(Abramov) -0.2398167E-01 Hb(Abramov) 0.2126374E-02 Ex_ueg -0.6192678E-02 Ec_ueg -0.1226049E-02 Delta_ex -0.7326471E-02 Delta_ec 0.2105749E-02 Delta_et -0.1902807E-01 Pxc 0.5050920E+01 Qxc -0.3479270E+01 3,+1 126 3 +1 0.140822 -2.892979 0.144655 Rho 0.5189425E-02 |GRAD(Rho)| 0.6799086E-17 GRAD(Rho)x 0.2286226E-17 GRAD(Rho)y -0.2821639E-19 GRAD(Rho)z -0.6403120E-17 Laplacian 0.2110971E-01 (-1/4)Del**2(Rho)) -0.5277426E-02 Diamond 0.5199883E-03 Metallicity 0.5077653E+00 Ellipticity -0.3712751E+01 Gb(Abramov) 0.3964900E-02 Vb(Abramov) -0.2652374E-02 Hb(Abramov) 0.1312526E-02 Ex_ueg -0.6635557E-03 Ec_ueg -0.1550736E-03 Delta_ex -0.1059316E-02 Delta_ec 0.6686291E-03 Delta_et -0.3670409E-02 Pxc 0.4278972E+01 Qxc -0.1584310E+01 3,+1 127 3 +1 1.662868 -0.532490 -0.535076 Rho 0.9035589E-02 |GRAD(Rho)| 0.1294601E-16 GRAD(Rho)x -0.2587083E-17 GRAD(Rho)y -0.1254678E-16 GRAD(Rho)z -0.1866659E-17 Laplacian 0.3507934E-01 (-1/4)Del**2(Rho)) -0.8769836E-02 Diamond 0.9918806E-03 Metallicity 0.7699972E+00 Ellipticity -0.1457597E+01 Gb(Abramov) 0.6972015E-02 Vb(Abramov) -0.5174195E-02 Hb(Abramov) 0.1797821E-02 Ex_ueg -0.1389932E-02 Ec_ueg -0.3245114E-03 Delta_ex -0.1617587E-02 Delta_ec 0.4843567E-03 Delta_et -0.3360224E-02 Pxc 0.4283154E+01 Qxc -0.3339660E+01 3,+1 128 3 -1 0.539272 1.691911 -1.797030 Rho 0.4364469E-01 |GRAD(Rho)| 0.1111742E-12 GRAD(Rho)x -0.4420422E-13 GRAD(Rho)y -0.1019724E-12 GRAD(Rho)z -0.2702719E-14 Laplacian 0.1848098E+00 (-1/4)Del**2(Rho)) -0.4620244E-01 Diamond 0.7964369E-01 Metallicity 0.2017316E+01 Ellipticity 0.7598562E-02 Gb(Abramov) 0.4633578E-01 Vb(Abramov) -0.4646912E-01 Hb(Abramov) -0.1333422E-03 Ex_ueg -0.1134907E-01 Ec_ueg -0.2066711E-02 Delta_ex -0.1479405E-01 Delta_ec 0.5675019E-02 Delta_et -0.5776246E-01 Pxc 0.5491369E+01 Qxc -0.2606872E+01 3,-1 129 3 +3 1.090940 1.093519 1.125260 Rho 0.5079153E-02 |GRAD(Rho)| 0.8084901E-17 GRAD(Rho)x -0.3027430E-17 GRAD(Rho)y -0.7313974E-17 GRAD(Rho)z -0.1645014E-17 Laplacian 0.1965075E-01 (-1/4)Del**2(Rho)) -0.4912686E-02 Diamond 0.1408582E-03 Metallicity 0.5262834E+00 Ellipticity -0.9283584E-01 Gb(Abramov) 0.3706035E-02 Vb(Abramov) -0.2499384E-02 Hb(Abramov) 0.1206651E-02 Ex_ueg -0.6448224E-03 Ec_ueg -0.1503207E-03 Delta_ex -0.6824750E-03 Delta_ec 0.8761109E-04 Delta_et -0.6924275E-03 Pxc 0.4289646E+01 Qxc -0.7789824E+01 3,+3 130 3 +1 0.140893 -0.160405 2.902510 Rho 0.5007130E-02 |GRAD(Rho)| 0.2947601E-14 GRAD(Rho)x 0.1872792E-14 GRAD(Rho)y -0.2268254E-14 GRAD(Rho)z 0.1898041E-15 Laplacian 0.2050870E-01 (-1/4)Del**2(Rho)) -0.5127175E-02 Diamond 0.4743426E-03 Metallicity 0.4924058E+00 Ellipticity -0.2911025E+01 Gb(Abramov) 0.3838892E-02 Vb(Abramov) -0.2550609E-02 Hb(Abramov) 0.1288283E-02 Ex_ueg -0.6326597E-03 Ec_ueg -0.1472196E-03 Delta_ex -0.1015468E-02 Delta_ec 0.6377965E-03 Delta_et -0.3468489E-02 Pxc 0.4297387E+01 Qxc -0.1592150E+01 3,+1 131 3 -1 0.074737 -3.165177 -3.247845 Rho 0.2442899E+00 |GRAD(Rho)| 0.6546543E-10 GRAD(Rho)x 0.1287482E-10 GRAD(Rho)y -0.4484267E-10 GRAD(Rho)z -0.4592489E-10 Laplacian 0.8704429E+00 (-1/4)Del**2(Rho)) -0.2176107E+00 Diamond 0.3161006E+01 Metallicity 0.7557568E+01 Ellipticity 0.1274940E-02 Gb(Abramov) 0.4191751E+00 Vb(Abramov) -0.6207395E+00 Hb(Abramov) -0.2015644E+00 Ex_ueg -0.1127870E+00 Ec_ueg -0.1473617E-01 Delta_ex -0.1057394E+00 Delta_ec 0.1927746E-01 Delta_et -0.2678527E+00 Pxc 0.7653755E+01 Qxc -0.5485129E+01 3,-1 132 3 -1 -0.035858 -3.146135 3.272356 Rho 0.2438136E+00 |GRAD(Rho)| 0.3662521E-14 GRAD(Rho)x -0.1283912E-14 GRAD(Rho)y 0.3194222E-14 GRAD(Rho)z -0.1250031E-14 Laplacian 0.8676864E+00 (-1/4)Del**2(Rho)) -0.2169216E+00 Diamond 0.3144659E+01 Metallicity 0.7556956E+01 Ellipticity 0.3844143E-03 Gb(Abramov) 0.4178256E+00 Vb(Abramov) -0.6187296E+00 Hb(Abramov) -0.2009040E+00 Ex_ueg -0.1124939E+00 Ec_ueg -0.1470314E-01 Delta_ex -0.1053563E+00 Delta_ec 0.1923741E-01 Delta_et -0.2673230E+00 Pxc 0.7651014E+01 Qxc -0.5476635E+01 3,-1 133 3 -1 0.558382 -2.765982 -1.844261 Rho 0.1228168E+00 |GRAD(Rho)| 0.4040882E-15 GRAD(Rho)x 0.1865641E-15 GRAD(Rho)y -0.1331299E-15 GRAD(Rho)z 0.3328026E-15 Laplacian 0.5149353E+00 (-1/4)Del**2(Rho)) -0.1287338E+00 Diamond 0.8129017E+00 Metallicity 0.4060910E+01 Ellipticity 0.4918838E-02 Gb(Abramov) 0.1729520E+00 Vb(Abramov) -0.2171701E+00 Hb(Abramov) -0.4421814E-01 Ex_ueg -0.4508811E-01 Ec_ueg -0.6726850E-02 Delta_ex -0.5258061E-01 Delta_ec 0.1353130E-01 Delta_et -0.1743094E+00 Pxc 0.6702708E+01 Qxc -0.3885850E+01 3,-1 134 3 -1 -0.564501 1.762228 -2.823139 Rho 0.1471719E+00 |GRAD(Rho)| 0.6391568E-14 GRAD(Rho)x 0.4185562E-14 GRAD(Rho)y 0.4821095E-14 GRAD(Rho)z 0.3004155E-15 Laplacian 0.6198382E+00 (-1/4)Del**2(Rho)) -0.1549595E+00 Diamond 0.1204119E+01 Metallicity 0.4560819E+01 Ellipticity 0.2554733E-01 Gb(Abramov) 0.2210968E+00 Vb(Abramov) -0.2872340E+00 Hb(Abramov) -0.6613723E-01 Ex_ueg -0.5738761E-01 Ec_ueg -0.8262720E-02 Delta_ex -0.6601340E-01 Delta_ec 0.1537068E-01 Delta_et -0.2031012E+00 Pxc 0.6945366E+01 Qxc -0.4294760E+01 3,-1 135 3 -1 0.563476 1.774333 2.816370 Rho 0.1478033E+00 |GRAD(Rho)| 0.3554685E-14 GRAD(Rho)x -0.2452099E-14 GRAD(Rho)y 0.2565656E-14 GRAD(Rho)z -0.2010111E-15 Laplacian 0.6178971E+00 (-1/4)Del**2(Rho)) -0.1544743E+00 Diamond 0.1209119E+01 Metallicity 0.4607908E+01 Ellipticity 0.2375892E-01 Gb(Abramov) 0.2216167E+00 Vb(Abramov) -0.2887592E+00 Hb(Abramov) -0.6714246E-01 Ex_ueg -0.5771613E-01 Ec_ueg -0.8303042E-02 Delta_ex -0.6590244E-01 Delta_ec 0.1535298E-01 Delta_et -0.2030935E+00 Pxc 0.6951203E+01 Qxc -0.4292484E+01 3,-1 136 3 +1 1.728034 1.738353 1.756978 Rho 0.1201546E-01 |GRAD(Rho)| 0.1171936E-16 GRAD(Rho)x 0.7101325E-17 GRAD(Rho)y 0.2080224E-17 GRAD(Rho)z -0.9087747E-17 Laplacian 0.6051490E-01 (-1/4)Del**2(Rho)) -0.1512872E-01 Diamond 0.2434639E-02 Metallicity 0.7177694E+00 Ellipticity -0.1242277E+01 Gb(Abramov) 0.1189564E-01 Vb(Abramov) -0.8662553E-02 Hb(Abramov) 0.3233086E-02 Ex_ueg -0.2032539E-02 Ec_ueg -0.4602828E-03 Delta_ex -0.2977174E-02 Delta_ec 0.7883214E-03 Delta_et -0.5910779E-02 Pxc 0.4415849E+01 Qxc -0.3776600E+01 3,+1 137 3 +1 0.520007 -0.547345 -1.665927 Rho 0.9118785E-02 |GRAD(Rho)| 0.1735844E-16 GRAD(Rho)x -0.1337666E-16 GRAD(Rho)y -0.4894613E-17 GRAD(Rho)z 0.9920847E-17 Laplacian 0.3533442E-01 (-1/4)Del**2(Rho)) -0.8833605E-02 Diamond 0.1030829E-02 Metallicity 0.7762058E+00 Ellipticity -0.1486437E+01 Gb(Abramov) 0.7031852E-02 Vb(Abramov) -0.5230100E-02 Hb(Abramov) 0.1801752E-02 Ex_ueg -0.1407022E-02 Ec_ueg -0.3282513E-03 Delta_ex -0.1641151E-02 Delta_ec 0.5021375E-03 Delta_et -0.3480141E-02 Pxc 0.4286418E+01 Qxc -0.3268329E+01 3,+1 138 3 -1 0.542926 -1.703508 1.769235 Rho 0.4193332E-01 |GRAD(Rho)| 0.2847198E-15 GRAD(Rho)x -0.1128233E-15 GRAD(Rho)y -0.1832007E-15 GRAD(Rho)z 0.1864773E-15 Laplacian 0.1772998E+00 (-1/4)Del**2(Rho)) -0.4432494E-01 Diamond 0.7243844E-01 Metallicity 0.1967149E+01 Ellipticity 0.1229608E-01 Gb(Abramov) 0.4408225E-01 Vb(Abramov) -0.4383956E-01 Hb(Abramov) 0.2426892E-03 Ex_ueg -0.1075963E-01 Ec_ueg -0.1974087E-02 Delta_ex -0.1405715E-01 Delta_ec 0.5453049E-02 Delta_et -0.5490989E-01 Pxc 0.5450436E+01 Qxc -0.2577851E+01 3,-1 139 3 -1 0.569858 -1.790594 -2.791873 Rho 0.1305607E+00 |GRAD(Rho)| 0.5615004E-12 GRAD(Rho)x 0.3505621E-12 GRAD(Rho)y 0.4338386E-12 GRAD(Rho)z -0.6459853E-13 Laplacian 0.5498570E+00 (-1/4)Del**2(Rho)) -0.1374642E+00 Diamond 0.9292157E+00 Metallicity 0.4210992E+01 Ellipticity 0.1173538E-01 Gb(Abramov) 0.1881196E+00 Vb(Abramov) -0.2387750E+00 Hb(Abramov) -0.5065538E-01 Ex_ueg -0.4891798E-01 Ec_ueg -0.7210992E-02 Delta_ex -0.5691976E-01 Delta_ec 0.1413264E-01 Delta_et -0.1836819E+00 Pxc 0.6783807E+01 Qxc -0.4027538E+01 3,-1 140 3 -1 0.534384 2.736242 1.848090 Rho 0.1203085E+00 |GRAD(Rho)| 0.1240594E-15 GRAD(Rho)x 0.8822695E-17 GRAD(Rho)y -0.9675827E-16 GRAD(Rho)z -0.7714098E-16 Laplacian 0.5037969E+00 (-1/4)Del**2(Rho)) -0.1259492E+00 Diamond 0.7755105E+00 Metallicity 0.4010372E+01 Ellipticity 0.3467400E-02 Gb(Abramov) 0.1681500E+00 Vb(Abramov) -0.2103509E+00 Hb(Abramov) -0.4220081E-01 Ex_ueg -0.4386452E-01 Ec_ueg -0.6570909E-02 Delta_ex -0.5118526E-01 Delta_ec 0.1329554E-01 Delta_et -0.1706608E+00 Pxc 0.6675563E+01 Qxc -0.3849806E+01 3,-1 141 3 -1 0.821406 2.954430 -2.062581 Rho 0.1220225E+00 |GRAD(Rho)| 0.1356047E-12 GRAD(Rho)x -0.9122494E-13 GRAD(Rho)y -0.5162147E-13 GRAD(Rho)z -0.8603418E-13 Laplacian 0.4751314E+00 (-1/4)Del**2(Rho)) -0.1187828E+00 Diamond 0.7459663E+00 Metallicity 0.4353775E+01 Ellipticity 0.3415135E-01 Gb(Abramov) 0.1653809E+00 Vb(Abramov) -0.2119789E+00 Hb(Abramov) -0.4659802E-01 Ex_ueg -0.4469974E-01 Ec_ueg -0.6677423E-02 Delta_ex -0.4846342E-01 Delta_ec 0.1254499E-01 Delta_et -0.1614963E+00 Pxc 0.6694160E+01 Qxc -0.3863171E+01 3,-1 142 3 -1 0.043359 3.137102 3.254659 Rho 0.2441890E+00 |GRAD(Rho)| 0.7112087E-15 GRAD(Rho)x 0.5458958E-16 GRAD(Rho)y 0.3293806E-15 GRAD(Rho)z 0.6279699E-15 Laplacian 0.8660823E+00 (-1/4)Del**2(Rho)) -0.2165206E+00 Diamond 0.3149801E+01 Metallicity 0.7590389E+01 Ellipticity 0.1767400E-03 Gb(Abramov) 0.4182596E+00 Vb(Abramov) -0.6199987E+00 Hb(Abramov) -0.2017391E+00 Ex_ueg -0.1127249E+00 Ec_ueg -0.1472917E-01 Delta_ex -0.1052305E+00 Delta_ec 0.1924078E-01 Delta_et -0.2675970E+00 Pxc 0.7653175E+01 Qxc -0.5469141E+01 3,-1 143 3 -1 -0.075710 3.120226 -3.287711 Rho 0.2444803E+00 |GRAD(Rho)| 0.1988968E-15 GRAD(Rho)x 0.9093746E-16 GRAD(Rho)y -0.1271769E-15 GRAD(Rho)z 0.1229485E-15 Laplacian 0.8725250E+00 (-1/4)Del**2(Rho)) -0.2181312E+00 Diamond 0.3169933E+01 Metallicity 0.7549332E+01 Ellipticity 0.3748629E-02 Gb(Abramov) 0.4198784E+00 Vb(Abramov) -0.6216255E+00 Hb(Abramov) -0.2017471E+00 Ex_ueg -0.1129043E+00 Ec_ueg -0.1474938E-01 Delta_ex -0.1060055E+00 Delta_ec 0.1930418E-01 Delta_et -0.2681639E+00 Pxc 0.7654850E+01 Qxc -0.5491326E+01 3,-1 144 3 +3 1.107213 -1.123777 -1.112075 Rho 0.5328699E-02 |GRAD(Rho)| 0.1202824E-12 GRAD(Rho)x -0.8641742E-13 GRAD(Rho)y -0.1907954E-13 GRAD(Rho)z 0.8146078E-13 Laplacian 0.2066031E-01 (-1/4)Del**2(Rho)) -0.5165077E-02 Diamond 0.1546189E-03 Metallicity 0.5422235E+00 Ellipticity -0.1113495E+00 Gb(Abramov) 0.3910156E-02 Vb(Abramov) -0.2655234E-02 Hb(Abramov) 0.1254921E-02 Ex_ueg -0.6874060E-03 Ec_ueg -0.1610854E-03 Delta_ex -0.7241536E-03 Delta_ec 0.8672078E-04 Delta_et -0.7063016E-03 Pxc 0.4267340E+01 Qxc -0.8350405E+01 3,+3 145 3 -1 0.463087 -0.469164 0.457392 Rho 0.1889576E+00 |GRAD(Rho)| 0.1708504E-15 GRAD(Rho)x 0.1249001E-15 GRAD(Rho)y -0.9367507E-16 GRAD(Rho)z -0.6938894E-16 Laplacian 0.5228736E+00 (-1/4)Del**2(Rho)) -0.1307184E+00 Diamond 0.1422481E+01 Metallicity 0.8200185E+01 Ellipticity 0.5634660E-03 Gb(Abramov) 0.2657981E+00 Vb(Abramov) -0.4008778E+00 Hb(Abramov) -0.1350797E+00 Ex_ueg -0.8008247E-01 Ec_ueg -0.1098247E-01 Delta_ex -0.5965961E-01 Delta_ec 0.1281763E-01 Delta_et -0.1763469E+00 Pxc 0.7291842E+01 Qxc -0.4654496E+01 3,-1 146 3 -1 0.465002 0.464650 -0.491322 Rho 0.1861292E+00 |GRAD(Rho)| 0.7284352E-15 GRAD(Rho)x -0.4128642E-15 GRAD(Rho)y -0.1908196E-15 GRAD(Rho)z 0.5689893E-15 Laplacian 0.5155005E+00 (-1/4)Del**2(Rho)) -0.1288751E+00 Diamond 0.1379414E+01 Metallicity 0.8111011E+01 Ellipticity 0.2589974E-02 Gb(Abramov) 0.2601347E+00 Vb(Abramov) -0.3913942E+00 Hb(Abramov) -0.1312596E+00 Ex_ueg -0.7848822E-01 Ec_ueg -0.1079518E-01 Delta_ex -0.5861157E-01 Delta_ec 0.1271617E-01 Delta_et -0.1747631E+00 Pxc 0.7270670E+01 Qxc -0.4609217E+01 3,-1 147 3 -1 0.850931 -2.966469 2.040905 Rho 0.1243831E+00 |GRAD(Rho)| 0.1057820E-15 GRAD(Rho)x -0.3313593E-16 GRAD(Rho)y 0.8720374E-16 GRAD(Rho)z 0.4987330E-16 Laplacian 0.4856403E+00 (-1/4)Del**2(Rho)) -0.1214101E+00 Diamond 0.7819557E+00 Metallicity 0.4397787E+01 Ellipticity 0.3330151E-01 Gb(Abramov) 0.1699293E+00 Vb(Abramov) -0.2184486E+00 Hb(Abramov) -0.4851924E-01 Ex_ueg -0.4585644E-01 Ec_ueg -0.6824448E-02 Delta_ex -0.4978557E-01 Delta_ec 0.1280388E-01 Delta_et -0.1654310E+00 Pxc 0.6719435E+01 Qxc -0.3888320E+01 3,-1 148 3 -1 0.878187 1.951271 -3.062582 Rho 0.1534621E+00 |GRAD(Rho)| 0.2866220E-15 GRAD(Rho)x -0.2187920E-15 GRAD(Rho)y 0.1851546E-15 GRAD(Rho)z -0.3388132E-19 Laplacian 0.5954548E+00 (-1/4)Del**2(Rho)) -0.1488637E+00 Diamond 0.1230914E+01 Metallicity 0.5090569E+01 Ellipticity 0.6750771E-01 Gb(Abramov) 0.2255426E+00 Vb(Abramov) -0.3022216E+00 Hb(Abramov) -0.7667893E-01 Ex_ueg -0.6068108E-01 Ec_ueg -0.8665507E-02 Delta_ex -0.6421657E-01 Delta_ec 0.1486187E-01 Delta_et -0.1980782E+00 Pxc 0.7002601E+01 Qxc -0.4320895E+01 3,-1 149 3 +1 1.048648 2.160415 -1.423481 Rho 0.2794910E-01 |GRAD(Rho)| 0.5307651E-16 GRAD(Rho)x -0.2371271E-16 GRAD(Rho)y -0.4538707E-16 GRAD(Rho)z 0.1395839E-16 Laplacian 0.1120695E+00 (-1/4)Del**2(Rho)) -0.2801736E-01 Diamond 0.1662910E-01 Metallicity 0.1582725E+01 Ellipticity -0.3364989E+01 Gb(Abramov) 0.2606888E-01 Vb(Abramov) -0.2412039E-01 Hb(Abramov) 0.1948489E-02 Ex_ueg -0.6264342E-02 Ec_ueg -0.1238313E-02 Delta_ex -0.7138407E-02 Delta_ec 0.1824625E-02 Delta_et -0.1655887E-01 Pxc 0.5058772E+01 Qxc -0.3912260E+01 3,+1 150 3 -1 1.699498 -1.742136 0.534059 Rho 0.4674967E-01 |GRAD(Rho)| 0.1093684E-15 GRAD(Rho)x 0.7966303E-16 GRAD(Rho)y -0.6944061E-16 GRAD(Rho)z -0.2816469E-16 Laplacian 0.1891280E+00 (-1/4)Del**2(Rho)) -0.4728199E-01 Diamond 0.8646725E-01 Metallicity 0.2210489E+01 Ellipticity 0.1263409E-01 Gb(Abramov) 0.4894071E-01 Vb(Abramov) -0.5059943E-01 Hb(Abramov) -0.1658720E-02 Ex_ueg -0.1243817E-01 Ec_ueg -0.2236011E-02 Delta_ex -0.1525821E-01 Delta_ec 0.5550996E-02 Delta_et -0.5749058E-01 Pxc 0.5562660E+01 Qxc -0.2748733E+01 3,-1 151 3 -1 1.745051 2.798733 0.556175 Rho 0.1519416E+00 |GRAD(Rho)| 0.2584023E-15 GRAD(Rho)x 0.2427258E-15 GRAD(Rho)y -0.2168404E-18 GRAD(Rho)z -0.8863353E-16 Laplacian 0.6389669E+00 (-1/4)Del**2(Rho)) -0.1597417E+00 Diamond 0.1309214E+01 Metallicity 0.4665836E+01 Ellipticity 0.1523835E-01 Gb(Abramov) 0.2307159E+00 Vb(Abramov) -0.3016901E+00 Hb(Abramov) -0.7097420E-01 Ex_ueg -0.5988078E-01 Ec_ueg -0.8567922E-02 Delta_ex -0.6877959E-01 Delta_ec 0.1605868E-01 Delta_et -0.2139138E+00 Pxc 0.6988950E+01 Qxc -0.4283017E+01 3,-1 152 3 -1 1.747658 0.522131 -1.711921 Rho 0.4836640E-01 |GRAD(Rho)| 0.4276306E-14 GRAD(Rho)x 0.2861310E-14 GRAD(Rho)y -0.1431962E-14 GRAD(Rho)z -0.2837107E-14 Laplacian 0.1969106E+00 (-1/4)Del**2(Rho)) -0.4922766E-01 Diamond 0.9437639E-01 Metallicity 0.2246899E+01 Ellipticity 0.2333423E-01 Gb(Abramov) 0.5125337E-01 Vb(Abramov) -0.5327908E-01 Hb(Abramov) -0.2025713E-02 Ex_ueg -0.1301498E-01 Ec_ueg -0.2324775E-02 Delta_ex -0.1602671E-01 Delta_ec 0.5785306E-02 Delta_et -0.6045533E-01 Pxc 0.5598380E+01 Qxc -0.2770244E+01 3,-1 153 3 +3 2.323954 0.013018 0.008101 Rho 0.4697331E-02 |GRAD(Rho)| 0.7186025E-15 GRAD(Rho)x -0.6464500E-15 GRAD(Rho)y 0.3107055E-15 GRAD(Rho)z -0.4420402E-16 Laplacian 0.1923114E-01 (-1/4)Del**2(Rho)) -0.4807786E-02 Diamond 0.1783318E-03 Metallicity 0.4720920E+00 Ellipticity -0.3000998E+00 Gb(Abramov) 0.3583477E-02 Vb(Abramov) -0.2359168E-02 Hb(Abramov) 0.1224309E-02 Ex_ueg -0.5810140E-03 Ec_ueg -0.1339110E-03 Delta_ex -0.7085705E-03 Delta_ec 0.1838824E-03 Delta_et -0.1151653E-02 Pxc 0.4338805E+01 Qxc -0.3853389E+01 3,+3 154 3 -1 1.849156 0.561713 2.757521 Rho 0.1181464E+00 |GRAD(Rho)| 0.3994089E-15 GRAD(Rho)x 0.3715764E-15 GRAD(Rho)y -0.1408175E-15 GRAD(Rho)z -0.4035943E-16 Laplacian 0.4910656E+00 (-1/4)Del**2(Rho)) -0.1227664E+00 Diamond 0.7418205E+00 Metallicity 0.3991852E+01 Ellipticity 0.3304898E-02 Gb(Abramov) 0.1635218E+00 Vb(Abramov) -0.2042772E+00 Hb(Abramov) -0.4075542E-01 Ex_ueg -0.4281662E-01 Ec_ueg -0.6436844E-02 Delta_ex -0.4970630E-01 Delta_ec 0.1306891E-01 Delta_et -0.1673160E+00 Pxc 0.6651803E+01 Qxc -0.3803400E+01 3,-1 155 3 -1 1.956886 -3.013935 0.872910 Rho 0.1515367E+00 |GRAD(Rho)| 0.1599824E-14 GRAD(Rho)x 0.1001166E-14 GRAD(Rho)y 0.7694176E-15 GRAD(Rho)z -0.9823956E-15 Laplacian 0.5972577E+00 (-1/4)Del**2(Rho)) -0.1493144E+00 Diamond 0.1230039E+01 Metallicity 0.4969523E+01 Ellipticity 0.4678411E-01 Gb(Abramov) 0.2232132E+00 Vb(Abramov) -0.2971120E+00 Hb(Abramov) -0.7389877E-01 Ex_ueg -0.5966812E-01 Ec_ueg -0.8541961E-02 Delta_ex -0.6434791E-01 Delta_ec 0.1519942E-01 Delta_et -0.2028163E+00 Pxc 0.6985295E+01 Qxc -0.4233576E+01 3,-1 156 3 -1 1.781274 -2.796466 -0.569183 Rho 0.1516954E+00 |GRAD(Rho)| 0.9241808E-15 GRAD(Rho)x 0.5601531E-15 GRAD(Rho)y 0.1313646E-15 GRAD(Rho)z 0.7232442E-15 Laplacian 0.6399433E+00 (-1/4)Del**2(Rho)) -0.1599858E+00 Diamond 0.1310150E+01 Metallicity 0.4646141E+01 Ellipticity 0.1346760E-01 Gb(Abramov) 0.2305434E+00 Vb(Abramov) -0.3011009E+00 Hb(Abramov) -0.7055752E-01 Ex_ueg -0.5975143E-01 Ec_ueg -0.8552133E-02 Delta_ex -0.6887176E-01 Delta_ec 0.1611580E-01 Delta_et -0.2146890E+00 Pxc 0.6986729E+01 Qxc -0.4273555E+01 3,-1 157 3 -1 1.684724 1.757397 -0.556880 Rho 0.4817498E-01 |GRAD(Rho)| 0.1961084E-15 GRAD(Rho)x 0.1058050E-15 GRAD(Rho)y 0.1466167E-15 GRAD(Rho)z 0.7594307E-16 Laplacian 0.1970818E+00 (-1/4)Del**2(Rho)) -0.4927046E-01 Diamond 0.9393643E-01 Metallicity 0.2230159E+01 Ellipticity 0.1339226E-01 Gb(Abramov) 0.5116047E-01 Vb(Abramov) -0.5305047E-01 Hb(Abramov) -0.1890007E-02 Ex_ueg -0.1294634E-01 Ec_ueg -0.2314245E-02 Delta_ex -0.1602399E-01 Delta_ec 0.5789372E-02 Delta_et -0.6043482E-01 Pxc 0.5594198E+01 Qxc -0.2767829E+01 3,-1 158 3 -1 1.917295 3.029399 -0.889558 Rho 0.1539464E+00 |GRAD(Rho)| 0.2625547E-15 GRAD(Rho)x 0.1515850E-15 GRAD(Rho)y 0.1953055E-15 GRAD(Rho)z 0.8838958E-16 Laplacian 0.6039116E+00 (-1/4)Del**2(Rho)) -0.1509779E+00 Diamond 0.1267697E+01 Metallicity 0.5045713E+01 Ellipticity 0.4905387E-01 Gb(Abramov) 0.2276171E+00 Vb(Abramov) -0.3042563E+00 Hb(Abramov) -0.7663922E-01 Ex_ueg -0.6093656E-01 Ec_ueg -0.8696620E-02 Delta_ex -0.6531951E-01 Delta_ec 0.1531129E-01 Delta_et -0.2047589E+00 Pxc 0.7006924E+01 Qxc -0.4266102E+01 3,-1 159 3 -1 1.835158 -0.558438 -2.747213 Rho 0.1408466E+00 |GRAD(Rho)| 0.1712308E-15 GRAD(Rho)x -0.1149254E-15 GRAD(Rho)y 0.6059335E-16 GRAD(Rho)z -0.1115373E-15 Laplacian 0.5890444E+00 (-1/4)Del**2(Rho)) -0.1472611E+00 Diamond 0.1106724E+01 Metallicity 0.4460421E+01 Ellipticity 0.8848950E-02 Gb(Abramov) 0.2076485E+00 Vb(Abramov) -0.2680359E+00 Hb(Abramov) -0.6038738E-01 Ex_ueg -0.5412280E-01 Ec_ueg -0.7860165E-02 Delta_ex -0.6229006E-01 Delta_ec 0.1517841E-01 Delta_et -0.2002244E+00 Pxc 0.6885708E+01 Qxc -0.4103860E+01 3,-1 160 3 -1 2.998064 0.863448 -1.957425 Rho 0.1465447E+00 |GRAD(Rho)| 0.3406641E-15 GRAD(Rho)x -0.3194331E-16 GRAD(Rho)y -0.2912167E-15 GRAD(Rho)z -0.1738518E-15 Laplacian 0.5770235E+00 (-1/4)Del**2(Rho)) -0.1442559E+00 Diamond 0.1139322E+01 Metallicity 0.4864484E+01 Ellipticity 0.4230855E-01 Gb(Abramov) 0.2131256E+00 Vb(Abramov) -0.2819954E+00 Hb(Abramov) -0.6886976E-01 Ex_ueg -0.5706179E-01 Ec_ueg -0.8222696E-02 Delta_ex -0.6163670E-01 Delta_ec 0.1476661E-01 Delta_et -0.1960199E+00 Pxc 0.6939548E+01 Qxc -0.4174059E+01 3,-1 161 3 +1 2.887534 0.165738 -0.141463 Rho 0.5361059E-02 |GRAD(Rho)| 0.8274517E-17 GRAD(Rho)x -0.2876588E-18 GRAD(Rho)y 0.5230541E-17 GRAD(Rho)z 0.6405180E-17 Laplacian 0.2202044E-01 (-1/4)Del**2(Rho)) -0.5505111E-02 Diamond 0.5593874E-03 Metallicity 0.5138914E+00 Ellipticity -0.3338590E+01 Gb(Abramov) 0.4141579E-02 Vb(Abramov) -0.2778047E-02 Hb(Abramov) 0.1363532E-02 Ex_ueg -0.6929775E-03 Ec_ueg -0.1624836E-03 Delta_ex -0.1105846E-02 Delta_ec 0.6864552E-03 Delta_et -0.3809641E-02 Pxc 0.4264908E+01 Qxc -0.1610952E+01 3,+1 162 3 -1 2.893137 0.035303 -0.012007 Rho 0.5378771E-02 |GRAD(Rho)| 0.5012233E-17 GRAD(Rho)x 0.5086608E-18 GRAD(Rho)y -0.4830048E-17 GRAD(Rho)z -0.1238699E-17 Laplacian 0.2166132E-01 (-1/4)Del**2(Rho)) -0.5415329E-02 Diamond 0.6417039E-03 Metallicity 0.5252912E+00 Ellipticity 0.3270322E+01 Gb(Abramov) 0.4084323E-02 Vb(Abramov) -0.2753318E-02 Hb(Abramov) 0.1331006E-02 Ex_ueg -0.6960319E-03 Ec_ueg -0.1632491E-03 Delta_ex -0.1163483E-02 Delta_ec 0.8091107E-03 Delta_et -0.4440598E-02 Pxc 0.4263618E+01 Qxc -0.1437977E+01 3,-1 163 3 -1 2.802832 0.593410 1.775686 Rho 0.1470903E+00 |GRAD(Rho)| 0.2175852E-15 GRAD(Rho)x -0.3211610E-16 GRAD(Rho)y -0.7096103E-16 GRAD(Rho)z -0.2031659E-15 Laplacian 0.6220955E+00 (-1/4)Del**2(Rho)) -0.1555239E+00 Diamond 0.1208093E+01 Metallicity 0.4540071E+01 Ellipticity 0.2622604E-01 Gb(Abramov) 0.2213642E+00 Vb(Abramov) -0.2872044E+00 Hb(Abramov) -0.6584028E-01 Ex_ueg -0.5734518E-01 Ec_ueg -0.8257510E-02 Delta_ex -0.6624877E-01 Delta_ec 0.1543599E-01 Delta_et -0.2039653E+00 Pxc 0.6944610E+01 Qxc -0.4291840E+01 3,-1 164 3 -1 3.152262 -3.245533 -0.049077 Rho 0.2546789E+00 |GRAD(Rho)| 0.1721874E-10 GRAD(Rho)x 0.1198001E-10 GRAD(Rho)y -0.1197508E-10 GRAD(Rho)z -0.3092233E-11 Laplacian 0.9250493E+00 (-1/4)Del**2(Rho)) -0.2312623E+00 Diamond 0.3500812E+01 Metallicity 0.7622602E+01 Ellipticity 0.1752254E-02 Gb(Abramov) 0.4479783E+00 Vb(Abramov) -0.6646943E+00 Hb(Abramov) -0.2167160E+00 Ex_ueg -0.1192273E+00 Ec_ueg -0.1545972E-01 Delta_ex -0.1134521E+00 Delta_ec 0.1995736E-01 Delta_et -0.2763165E+00 Pxc 0.7712125E+01 Qxc -0.5684728E+01 3,-1 165 3 -1 2.732265 1.856660 0.537988 Rho 0.1236788E+00 |GRAD(Rho)| 0.3652684E-15 GRAD(Rho)x 0.1434196E-16 GRAD(Rho)y -0.3039019E-15 GRAD(Rho)z 0.2021359E-15 Laplacian 0.5169748E+00 (-1/4)Del**2(Rho)) -0.1292437E+00 Diamond 0.8362917E+00 Metallicity 0.4092315E+01 Ellipticity 0.1882351E-01 Gb(Abramov) 0.1743134E+00 Vb(Abramov) -0.2193832E+00 Hb(Abramov) -0.4506974E-01 Ex_ueg -0.4551053E-01 Ec_ueg -0.6780539E-02 Delta_ex -0.5304865E-01 Delta_ec 0.1386790E-01 Delta_et -0.1793893E+00 Pxc 0.6711934E+01 Qxc -0.3825284E+01 3,-1 166 3 -1 2.937765 2.034700 -0.859105 Rho 0.1347243E+00 |GRAD(Rho)| 0.3827397E-15 GRAD(Rho)x 0.3592301E-15 GRAD(Rho)y -0.9227916E-16 GRAD(Rho)z -0.9448822E-16 Laplacian 0.5287950E+00 (-1/4)Del**2(Rho)) -0.1321988E+00 Diamond 0.9466778E+00 Metallicity 0.4613909E+01 Ellipticity 0.2542470E-01 Gb(Abramov) 0.1897914E+00 Vb(Abramov) -0.2473839E+00 Hb(Abramov) -0.5759259E-01 Ex_ueg -0.5100894E-01 Ec_ueg -0.7472942E-02 Delta_ex -0.5537341E-01 Delta_ec 0.1387219E-01 Delta_et -0.1819456E+00 Pxc 0.6825818E+01 Qxc -0.3991683E+01 3,-1 167 3 -1 3.107394 3.276989 0.033410 Rho 0.2543391E+00 |GRAD(Rho)| 0.1175767E-14 GRAD(Rho)x 0.6952989E-15 GRAD(Rho)y 0.9287276E-15 GRAD(Rho)z 0.1909280E-15 Laplacian 0.9252416E+00 (-1/4)Del**2(Rho)) -0.2313104E+00 Diamond 0.3493977E+01 Metallicity 0.7604077E+01 Ellipticity 0.2618164E-02 Gb(Abramov) 0.4473573E+00 Vb(Abramov) -0.6634042E+00 Hb(Abramov) -0.2160469E+00 Ex_ueg -0.1190152E+00 Ec_ueg -0.1543596E-01 Delta_ex -0.1134263E+00 Delta_ec 0.1995263E-01 Delta_et -0.2761641E+00 Pxc 0.7710258E+01 Qxc -0.5684781E+01 3,-1 168 3 -1 2.966295 -2.019489 0.855702 Rho 0.1323811E+00 |GRAD(Rho)| 0.5426576E-14 GRAD(Rho)x -0.2539323E-14 GRAD(Rho)y -0.3293698E-14 GRAD(Rho)z -0.3485846E-14 Laplacian 0.5214544E+00 (-1/4)Del**2(Rho)) -0.1303636E+00 Diamond 0.9166487E+00 Metallicity 0.4544017E+01 Ellipticity 0.2261946E-01 Gb(Abramov) 0.1856381E+00 Vb(Abramov) -0.2409127E+00 Hb(Abramov) -0.5527454E-01 Ex_ueg -0.4982947E-01 Ec_ueg -0.7325378E-02 Delta_ex -0.5440416E-01 Delta_ec 0.1379163E-01 Delta_et -0.1804861E+00 Pxc 0.6802306E+01 Qxc -0.3944724E+01 3,-1 169 3 -1 3.018999 -0.850387 1.964692 Rho 0.1419944E+00 |GRAD(Rho)| 0.2583828E-15 GRAD(Rho)x -0.2071910E-15 GRAD(Rho)y 0.1450663E-15 GRAD(Rho)z 0.5281420E-16 Laplacian 0.5572342E+00 (-1/4)Del**2(Rho)) -0.1393086E+00 Diamond 0.1048895E+01 Metallicity 0.4779262E+01 Ellipticity 0.5739232E-01 Gb(Abramov) 0.2038377E+00 Vb(Abramov) -0.2683669E+00 Hb(Abramov) -0.6452915E-01 Ex_ueg -0.5471168E-01 Ec_ueg -0.7933027E-02 Delta_ex -0.5895380E-01 Delta_ec 0.1417110E-01 Delta_et -0.1868239E+00 Pxc 0.6896697E+01 Qxc -0.4160144E+01 3,-1 170 3 -1 3.261618 0.088406 3.134934 Rho 0.2441187E+00 |GRAD(Rho)| 0.8218779E-14 GRAD(Rho)x -0.7545613E-14 GRAD(Rho)y 0.2397225E-14 GRAD(Rho)z -0.2205755E-14 Laplacian 0.8683635E+00 (-1/4)Del**2(Rho)) -0.2170909E+00 Diamond 0.3152265E+01 Metallicity 0.7566818E+01 Ellipticity 0.1593462E-02 Gb(Abramov) 0.4185085E+00 Vb(Abramov) -0.6199261E+00 Hb(Abramov) -0.2014176E+00 Ex_ueg -0.1126816E+00 Ec_ueg -0.1472429E-01 Delta_ex -0.1054751E+00 Delta_ec 0.1924908E-01 Delta_et -0.2675134E+00 Pxc 0.7652771E+01 Qxc -0.5479487E+01 3,-1 171 3 +1 1.390114 -1.061410 2.166525 Rho 0.2647160E-01 |GRAD(Rho)| 0.8789797E-15 GRAD(Rho)x -0.8825472E-17 GRAD(Rho)y -0.8428274E-15 GRAD(Rho)z -0.2493378E-15 Laplacian 0.1061070E+00 (-1/4)Del**2(Rho)) -0.2652676E-01 Diamond 0.1532563E-01 Metallicity 0.1526989E+01 Ellipticity -0.3974556E+01 Gb(Abramov) 0.2443552E-01 Vb(Abramov) -0.2234428E-01 Hb(Abramov) 0.2091240E-02 Ex_ueg -0.5826735E-02 Ec_ueg -0.1163089E-02 Delta_ex -0.6732343E-02 Delta_ec 0.1856406E-02 Delta_et -0.1660600E-01 Pxc 0.5009709E+01 Qxc -0.3626547E+01 3,+1 172 3 -1 1.763894 -0.513529 1.700074 Rho 0.4200890E-01 |GRAD(Rho)| 0.1283084E-12 GRAD(Rho)x -0.4871884E-13 GRAD(Rho)y -0.8889746E-13 GRAD(Rho)z -0.7865593E-13 Laplacian 0.1768240E+00 (-1/4)Del**2(Rho)) -0.4420600E-01 Diamond 0.7241087E-01 Metallicity 0.1978370E+01 Ellipticity 0.1351269E-01 Gb(Abramov) 0.4404664E-01 Vb(Abramov) -0.4388727E-01 Hb(Abramov) 0.1593604E-03 Ex_ueg -0.1078550E-01 Ec_ueg -0.1978167E-02 Delta_ex -0.1402511E-01 Delta_ec 0.5437362E-02 Delta_et -0.5477839E-01 Pxc 0.5452270E+01 Qxc -0.2579396E+01 3,-1 173 3 -1 -3.803619 4.259233 -0.837077 Rho 0.3273515E+00 |GRAD(Rho)| 0.3388218E-13 GRAD(Rho)x 0.2694884E-13 GRAD(Rho)y -0.1457532E-13 GRAD(Rho)z 0.1446798E-13 Laplacian -0.1822312E+01 (-1/4)Del**2(Rho)) 0.4555779E+00 Diamond 0.6400819E+01 Metallicity -0.5879598E+01 Ellipticity 0.1874247E-02 Gb(Abramov) 0.1427172E+00 Vb(Abramov) -0.7410124E+00 Hb(Abramov) -0.5982952E+00 Ex_ueg -0.1666240E+00 Ec_ueg -0.2068713E-01 Delta_ex 0.1836018E+00 Delta_ec 0.6267579E-01 Delta_et -0.1505066E+01 Pxc 0.8054475E+01 Qxc 0.2929389E+01 3,-1 174 3 -1 -3.130930 -3.281479 0.073033 Rho 0.2433704E+00 |GRAD(Rho)| 0.4285814E-15 GRAD(Rho)x 0.2675269E-15 GRAD(Rho)y 0.3301396E-15 GRAD(Rho)z -0.5584996E-16 Laplacian 0.8668171E+00 (-1/4)Del**2(Rho)) -0.2167043E+00 Diamond 0.3134350E+01 Metallicity 0.7541631E+01 Ellipticity 0.2514198E-02 Gb(Abramov) 0.4168535E+00 Vb(Abramov) -0.6170027E+00 Hb(Abramov) -0.2001492E+00 Ex_ueg -0.1122213E+00 Ec_ueg -0.1467241E-01 Delta_ex -0.1051992E+00 Delta_ec 0.1922588E-01 Delta_et -0.2671345E+00 Pxc 0.7648459E+01 Qxc -0.5471749E+01 3,-1 175 3 -1 -2.950194 1.984334 0.829186 Rho 0.1452705E+00 |GRAD(Rho)| 0.2638312E-12 GRAD(Rho)x 0.1304691E-12 GRAD(Rho)y 0.1443816E-12 GRAD(Rho)z -0.1781535E-12 Laplacian 0.5693886E+00 (-1/4)Del**2(Rho)) -0.1423471E+00 Diamond 0.1107872E+01 Metallicity 0.4858478E+01 Ellipticity 0.1886548E-01 Gb(Abramov) 0.2101632E+00 Vb(Abramov) -0.2779792E+00 Hb(Abramov) -0.6781604E-01 Ex_ueg -0.5640121E-01 Ec_ueg -0.8141450E-02 Delta_ex -0.6064300E-01 Delta_ec 0.1451639E-01 Delta_et -0.1922662E+00 Pxc 0.6927661E+01 Qxc -0.4177553E+01 3,-1 176 3 -1 -2.959121 -2.058422 -0.838980 Rho 0.1134258E+00 |GRAD(Rho)| 0.3577692E-15 GRAD(Rho)x 0.1282916E-15 GRAD(Rho)y -0.2649587E-15 GRAD(Rho)z 0.2033150E-15 Laplacian 0.4429045E+00 (-1/4)Del**2(Rho)) -0.1107261E+00 Diamond 0.6374605E+00 Metallicity 0.4135136E+01 Ellipticity 0.2619538E-01 Gb(Abramov) 0.1501287E+00 Vb(Abramov) -0.1895312E+00 Hb(Abramov) -0.3940256E-01 Ex_ueg -0.4055096E-01 Ec_ueg -0.6145284E-02 Delta_ex -0.4440476E-01 Delta_ec 0.1191011E-01 Delta_et -0.1513972E+00 Pxc 0.6598711E+01 Qxc -0.3728324E+01 3,-1 177 3 -1 -2.759462 -1.867570 0.554559 Rho 0.1214993E+00 |GRAD(Rho)| 0.2529371E-15 GRAD(Rho)x -0.4033232E-16 GRAD(Rho)y -0.1940925E-15 GRAD(Rho)z -0.1570941E-15 Laplacian 0.5032657E+00 (-1/4)Del**2(Rho)) -0.1258164E+00 Diamond 0.7856155E+00 Metallicity 0.4081049E+01 Ellipticity 0.5475253E-02 Gb(Abramov) 0.1694548E+00 Vb(Abramov) -0.2130931E+00 Hb(Abramov) -0.4363836E-01 Ex_ueg -0.4444435E-01 Ec_ueg -0.6644885E-02 Delta_ex -0.5127438E-01 Delta_ec 0.1329067E-01 Delta_et -0.1709528E+00 Pxc 0.6688505E+01 Qxc -0.3857923E+01 3,-1 178 3 +1 -2.174639 0.999505 1.413526 Rho 0.2841835E-01 |GRAD(Rho)| 0.4726847E-13 GRAD(Rho)x -0.2130017E-13 GRAD(Rho)y -0.2493304E-13 GRAD(Rho)z 0.3404342E-13 Laplacian 0.1155260E+00 (-1/4)Del**2(Rho)) -0.2888151E-01 Diamond 0.1559235E-01 Metallicity 0.1578573E+01 Ellipticity -0.2287407E+01 Gb(Abramov) 0.2685294E-01 Vb(Abramov) -0.2482436E-01 Hb(Abramov) 0.2028575E-02 Ex_ueg -0.6404966E-02 Ec_ueg -0.1262316E-02 Delta_ex -0.7213511E-02 Delta_ec 0.1562535E-02 Delta_et -0.1428084E-01 Pxc 0.5073980E+01 Qxc -0.4616542E+01 3,+1 179 3 -1 -0.854245 -1.977141 -3.022487 Rho 0.1336790E+00 |GRAD(Rho)| 0.1647980E-15 GRAD(Rho)x -0.6956512E-16 GRAD(Rho)y 0.1227114E-15 GRAD(Rho)z -0.8521151E-16 Laplacian 0.5243293E+00 (-1/4)Del**2(Rho)) -0.1310823E+00 Diamond 0.9181716E+00 Metallicity 0.4593189E+01 Ellipticity 0.5268483E-01 Gb(Abramov) 0.1877359E+00 Vb(Abramov) -0.2443894E+00 Hb(Abramov) -0.5665355E-01 Ex_ueg -0.5048193E-01 Ec_ueg -0.7407071E-02 Delta_ex -0.5466579E-01 Delta_ec 0.1353674E-01 Delta_et -0.1768551E+00 Pxc 0.6815371E+01 Qxc -0.4038326E+01 3,-1 180 3 -1 0.041604 0.041161 -2.886281 Rho 0.5450146E-02 |GRAD(Rho)| 0.9144547E-14 GRAD(Rho)x -0.6204935E-14 GRAD(Rho)y -0.6343282E-14 GRAD(Rho)z 0.2210042E-14 Laplacian 0.2192058E-01 (-1/4)Del**2(Rho)) -0.5480145E-02 Diamond 0.6570206E-03 Metallicity 0.5306091E+00 Ellipticity 0.2968261E+01 Gb(Abramov) 0.4138066E-02 Vb(Abramov) -0.2795987E-02 Hb(Abramov) 0.1342079E-02 Ex_ueg -0.7083740E-03 Ec_ueg -0.1663356E-03 Delta_ex -0.1176974E-02 Delta_ec 0.8129324E-03 Delta_et -0.4481510E-02 Pxc 0.4258704E+01 Qxc -0.1447813E+01 3,-1 181 3 -1 0.875920 -1.958990 3.033637 Rho 0.1514007E+00 |GRAD(Rho)| 0.1746804E-13 GRAD(Rho)x -0.8122951E-14 GRAD(Rho)y -0.1407545E-13 GRAD(Rho)z 0.6405609E-14 Laplacian 0.5913331E+00 (-1/4)Del**2(Rho)) -0.1478333E+00 Diamond 0.1200711E+01 Metallicity 0.5011806E+01 Ellipticity 0.6789665E-01 Gb(Abramov) 0.2220408E+00 Vb(Abramov) -0.2962483E+00 Hb(Abramov) -0.7420752E-01 Ex_ueg -0.5959672E-01 Ec_ueg -0.8533241E-02 Delta_ex -0.6353996E-01 Delta_ec 0.1477424E-01 Delta_et -0.1964723E+00 Pxc 0.6984066E+01 Qxc -0.4300727E+01 3,-1 182 3 -1 2.758305 -1.829668 -0.540632 Rho 0.1303284E+00 |GRAD(Rho)| 0.1577372E-15 GRAD(Rho)x -0.1460929E-15 GRAD(Rho)y -0.5155381E-16 GRAD(Rho)z -0.2966648E-16 Laplacian 0.5500532E+00 (-1/4)Del**2(Rho)) -0.1375133E+00 Diamond 0.9460713E+00 Metallicity 0.4197013E+01 Ellipticity 0.1158056E-01 Gb(Abramov) 0.1878664E+00 Vb(Abramov) -0.2382195E+00 Hb(Abramov) -0.5035310E-01 Ex_ueg -0.4880196E-01 Ec_ueg -0.7196410E-02 Delta_ex -0.5713792E-01 Delta_ec 0.1454085E-01 Delta_et -0.1896930E+00 Pxc 0.6781431E+01 Qxc -0.3929475E+01 3,-1 183 3 -1 2.036666 -0.820492 2.963635 Rho 0.1132250E+00 |GRAD(Rho)| 0.1335521E-14 GRAD(Rho)x -0.9411078E-15 GRAD(Rho)y -0.9442520E-15 GRAD(Rho)z -0.7949574E-16 Laplacian 0.4390659E+00 (-1/4)Del**2(Rho)) -0.1097665E+00 Diamond 0.6323496E+00 Metallicity 0.4158982E+01 Ellipticity 0.2425362E-01 Gb(Abramov) 0.1492638E+00 Vb(Abramov) -0.1887611E+00 Hb(Abramov) -0.3949732E-01 Ex_ueg -0.4045523E-01 Ec_ueg -0.6132912E-02 Delta_ex -0.4402693E-01 Delta_ec 0.1185727E-01 Delta_et -0.1507461E+00 Pxc 0.6596414E+01 Qxc -0.3713075E+01 3,-1 184 3 -1 2.028389 0.837558 -2.984114 Rho 0.1219282E+00 |GRAD(Rho)| 0.1518457E-09 GRAD(Rho)x -0.8180704E-10 GRAD(Rho)y 0.1073899E-09 GRAD(Rho)z -0.6951353E-10 Laplacian 0.4807332E+00 (-1/4)Del**2(Rho)) -0.1201833E+00 Diamond 0.7648010E+00 Metallicity 0.4297502E+01 Ellipticity 0.1871729E-01 Gb(Abramov) 0.1662035E+00 Vb(Abramov) -0.2122238E+00 Hb(Abramov) -0.4602023E-01 Ex_ueg -0.4465369E-01 Ec_ueg -0.6671558E-02 Delta_ex -0.4916677E-01 Delta_ec 0.1294701E-01 Delta_et -0.1670791E+00 Pxc 0.6693143E+01 Qxc -0.3797537E+01 3,-1 185 3 -1 2.802461 -0.578546 -1.762777 Rho 0.1534288E+00 |GRAD(Rho)| 0.1312824E-15 GRAD(Rho)x 0.5411524E-16 GRAD(Rho)y 0.1176630E-15 GRAD(Rho)z -0.2149431E-16 Laplacian 0.6475207E+00 (-1/4)Del**2(Rho)) -0.1618802E+00 Diamond 0.1345706E+01 Metallicity 0.4679552E+01 Ellipticity 0.1226184E-01 Gb(Abramov) 0.2341746E+00 Vb(Abramov) -0.3064690E+00 Hb(Abramov) -0.7229440E-01 Ex_ueg -0.6066351E-01 Ec_ueg -0.8663367E-02 Delta_ex -0.6990046E-01 Delta_ec 0.1629189E-01 Delta_et -0.2174435E+00 Pxc 0.7002303E+01 Qxc -0.4290506E+01 3,-1 186 3 -1 3.252374 -0.080121 -3.142551 Rho 0.2547206E+00 |GRAD(Rho)| 0.1887217E-11 GRAD(Rho)x -0.1321569E-11 GRAD(Rho)y 0.3498325E-12 GRAD(Rho)z 0.1301023E-11 Laplacian 0.9263271E+00 (-1/4)Del**2(Rho)) -0.2315818E+00 Diamond 0.3503349E+01 Metallicity 0.7614162E+01 Ellipticity 0.2360494E-02 Gb(Abramov) 0.4482714E+00 Vb(Abramov) -0.6649610E+00 Hb(Abramov) -0.2166896E+00 Ex_ueg -0.1192533E+00 Ec_ueg -0.1546263E-01 Delta_ex -0.1135990E+00 Delta_ec 0.1995768E-01 Delta_et -0.2761960E+00 Pxc 0.7712353E+01 Qxc -0.5691997E+01 3,-1 187 3 -1 -1.957953 2.968549 0.858509 Rho 0.1647011E+00 |GRAD(Rho)| 0.3040534E-13 GRAD(Rho)x 0.1354614E-13 GRAD(Rho)y -0.2718618E-13 GRAD(Rho)z 0.1377750E-14 Laplacian 0.6370601E+00 (-1/4)Del**2(Rho)) -0.1592650E+00 Diamond 0.1443551E+01 Metallicity 0.5352957E+01 Ellipticity 0.4471831E-01 Gb(Abramov) 0.2482665E+00 Vb(Abramov) -0.3372680E+00 Hb(Abramov) -0.8900147E-01 Ex_ueg -0.6667769E-01 Ec_ueg -0.9391147E-02 Delta_ex -0.7000710E-01 Delta_ec 0.1577371E-01 Delta_et -0.2125278E+00 Pxc 0.7100058E+01 Qxc -0.4438213E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 138 113 108 181 147 132 95 139 133 179 107 131 128 134 118 148 141 143 109 135 140 110 120 142 150 182 156 168 155 164 157 165 151 166 158 167 90 72 91 175 187 63 58 177 86 176 85 174 60 74 101 61 92 71 70 68 97 77 103 75 172 163 154 169 183 170 152 185 159 160 184 186 145 116 146 123 65 162 180 122 121 82 173 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 18 21 22 25 26 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 20 23 24 27 28 54 2.419418 1.924791 2.014431 1.895862 1.974950 1.710872 2.406451 1.942225 1.967348 1.945384 1.953995 1.710141 2.404019 1.894303 2.073540 1.890014 1.983474 1.709721 2.429670 1.893363 1.976211 1.922567 2.016254 1.710380 2.396729 1.966609 1.906994 1.973533 1.919447 1.721442 2.383080 1.988386 1.906592 1.966882 1.913643 1.721927 2.288510 1.932320 1.842638 1.938871 1.889577 1.856658 2.411782 1.973274 1.882892 2.013264 1.947149 1.711617 2.363053 1.942698 1.989326 1.897141 1.947953 1.722101 2.441952 1.908411 1.950439 1.959335 1.982190 1.709596 2.419489 1.894097 1.984022 1.920830 2.014428 1.710434 2.382855 1.902180 1.937668 1.933045 2.005580 1.721416 1.691243 1.691346 1.697488 1.703198 3.224157 3.262375 3.257052 3.292522 3.233480 3.279027 0.981546 2.421035 1.925378 2.015076 1.896613 1.975806 1.710884 2.408269 1.942777 1.967859 1.946245 1.954817 1.710153 2.405788 1.894900 2.073985 1.890719 1.984413 1.709732 2.431199 1.893942 1.976725 1.923377 2.016910 1.710390 2.398590 1.966957 1.907450 1.974213 1.920137 1.721446 2.384833 1.988759 1.907065 1.967578 1.914303 1.721934 2.289965 1.932818 1.843268 1.939691 1.890345 1.858383 2.413413 1.973807 1.883445 2.014182 1.947976 1.711628 2.364861 1.943191 1.989735 1.897744 1.948605 1.722105 2.443486 1.909011 1.950941 1.959864 1.983068 1.709605 2.421157 1.894639 1.984587 1.921653 2.015310 1.710444 2.384507 1.902565 1.938084 1.933774 2.006289 1.721421 1.691246 1.691352 1.697489 1.703227 3.232056 3.272597 3.268840 3.302407 3.252702 3.290037 0.981825 27 27 27 30 25 21 30 25 25 28 28 21 27 25 29 25 26 21 30 25 27 28 29 21 30 28 27 28 26 22 31 26 27 28 28 24 29 28 24 27 29 25 30 27 27 27 27 23 30 27 27 26 28 23 31 27 26 26 29 22 30 27 28 27 28 22 30 27 28 28 26 22 23 25 24 24 35 35 35 35 35 35 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Mo Mo Mo Mo W W W Mo W Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H 2.3931 2.3969 2.4208 2.4097 2.4977 2.5122 2.6175 2.4064 2.5000 2.3997 2.3993 2.5166 -1.1299 -1.1393 -1.1420 -1.1380 -0.8910 -0.9442 -0.9344 -0.9059 -0.9157 -0.8914 -0.9111 -0.8929 -0.8924 -0.8861 -0.9193 -0.9185 -0.8974 -0.9022 -0.9392 -0.8928 -0.8702 -0.8896 -0.8770 -0.8961 -0.8759 -0.8919 -0.9034 -0.9059 -0.6442 -0.6417 -0.6397 -0.6434 -0.7227 -0.7245 -0.6768 -0.6473 -0.7227 -0.6415 -0.6431 -0.7237 2.4942 0.3008 1.9206 1.9295 1.9355 1.9135 2.0868 2.0803 2.0703 1.9127 2.0845 1.9123 1.9245 2.0828 1.9391 1.9381 1.9362 1.9365 1.9452 1.9364 1.9380 1.9428 1.9396 1.9451 1.9416 1.9447 1.9468 1.9468 1.9395 1.9391 1.9543 1.9531 1.9503 1.9551 1.9550 1.9549 1.9537 1.9536 1.9538 1.9538 1.9524 1.9510 1.9884 1.9888 1.9895 1.9891 1.9777 1.9769 1.8780 1.9881 1.9771 1.9894 1.9889 1.9773 0.8042 0.6004 6.0531 6.0573 6.0383 6.0517 6.0893 6.0815 6.0925 6.0505 6.0875 6.0553 6.0543 6.0828 5.1516 5.1613 5.1662 5.1613 4.9191 4.9770 4.9660 4.9347 4.9481 4.9194 4.9416 4.9217 4.9151 4.9127 4.9514 4.9508 4.9121 4.9178 4.9562 4.9071 4.8862 4.9030 4.8947 4.9114 4.8934 4.9065 4.9197 4.9237 4.6188 4.6157 4.6130 4.6172 4.7060 4.7087 4.7667 4.6223 4.7066 4.6148 4.6171 4.7073 1.1504 0.0988 3.6332 3.6163 3.6054 3.6250 3.2974 3.2973 3.1889 3.6304 3.2992 3.6328 3.6219 3.2891 0.0391 0.0399 0.0396 0.0402 0.0267 0.0308 0.0304 0.0283 0.0280 0.0269 0.0279 0.0265 0.0305 0.0266 0.0283 0.0286 0.0310 0.0313 0.0327 0.0307 0.0290 0.0317 0.0286 0.0311 0.0287 0.0316 0.0313 0.0312 0.0370 0.0371 0.0372 0.0371 0.0390 0.0389 0.0320 0.0369 0.0390 0.0373 0.0371 0.0390 10.5511 0.0000 0.0000 0.0000 0.0000 0.0000 14.0288 14.0287 14.0308 0.0000 14.0287 0.0000 0.0000 14.0288 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Mo Mo Mo Mo W W W Mo W Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H 3.180994 3.184122 3.177719 3.181325 2.522536 2.521163 2.571365 3.178481 2.522839 3.180390 3.181540 2.522102 -1.173341 -1.177035 -1.140278 -1.163330 -1.156654 -0.931008 -0.927762 -1.052764 -1.050036 -1.158341 -1.058879 -1.159069 -0.982769 -1.149261 -1.038361 -1.040720 -1.012804 -0.989555 -0.901304 -0.993585 -1.110575 -1.016930 -1.117808 -1.005570 -1.116156 -0.980039 -1.000624 -1.000845 -0.906860 -0.905891 -0.902876 -0.906471 -0.741960 -0.744982 -0.501035 -0.909795 -0.741691 -0.902790 -0.905653 -0.743760 2.326130 0.168458 2.394552 2.380952 2.378853 2.388621 1.967006 1.968143 1.856816 2.391291 1.966680 2.393709 2.390512 1.961880 -0.883175 -0.881073 -0.828020 -0.855704 -0.897642 -0.699265 -0.665587 -0.805896 -0.798128 -0.902492 -0.809984 -0.896904 -0.748778 -0.901237 -0.796882 -0.798035 -0.811091 -0.806644 -0.726151 -0.772100 -0.889468 -0.814662 -0.893000 -0.805732 -0.891351 -0.774929 -0.802018 -0.809026 -0.647422 -0.654051 -0.648347 -0.648634 -0.608333 -0.614007 -0.626727 -0.651635 -0.607804 -0.643066 -0.647081 -0.614246 1.683331 0.453979 2.469911 2.458382 2.448986 2.459169 2.057421 2.061180 2.078216 2.467668 2.057149 2.466239 2.464861 2.053105 -0.898280 -0.892479 -0.854549 -0.873760 -0.973677 -0.777800 -0.775157 -0.884137 -0.879150 -0.973654 -0.886306 -0.979204 -0.846275 -0.975192 -0.877150 -0.874527 -0.854127 -0.842282 -0.765296 -0.827057 -0.918881 -0.843252 -0.931058 -0.844611 -0.929904 -0.822622 -0.838917 -0.843736 -0.608449 -0.612407 -0.611893 -0.608516 -0.570606 -0.580574 -0.622502 -0.610608 -0.570977 -0.600777 -0.605836 -0.579364 1.669135 0.454128 -7.11957357 7.18667628 -0.35882883 10.12251955 -3.25841351 -29.69024819 8.08427233 16.18899347 -11.43620196 -12.93057996 -378.3205 411.1557 -123.4140 -351.3355 -5.0538 -446.9681 Jun12-2024 05:42:32 Nodes: 1 Procs: 1 Jun12-2024 05:42:34 Nodes: 1 Procs: 1 0 Jun12-2024 05:42:37 Nodes: 1 Procs: 1 Jun12-2024 05:42:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 05:42:42 Nodes: 1 Procs: 1 Jun12-2024 05:42:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 05:42:48 Nodes: 1 Procs: 1 Jun12-2024 05:42:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 05:42:52 Nodes: 1 Procs: 1 Jun12-2024 05:42:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 05:43:01 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 -15.83326858 -16.26366558 -16.31666269 -16.40435744 -16.41860333 -16.42104094 -16.42233626 -16.42457870 -16.42475283 -16.42486561 -16.42497002 -16.42500554 -16.42504871 -16.42505317 -16.42506189 -16.42507933 -16.42510878 -16.42515768 -16.42522574 -16.42525368 -16.42527583 -16.42529147 -16.42532273 -16.42535613 -16.42543699 -16.42545282 -16.42548768 -16.42550090 -16.42551913 -16.42554651 -16.42555626 -16.42556177 -16.42557335 -16.42559490 -16.42560568 -16.42563205 -16.42565368 -16.42569568 -16.42571167 -16.42571355 -16.42574868 -16.42575831 -16.42576746 -16.42577486 GEOMETRY CONVERGED