ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 01:12:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 0.02 0.41 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 Mar08-2024 01:12:39 Nodes: 1 Procs: 1 Mar08-2024 01:12:39 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 01:12:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.05 0.67 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Mar08-2024 01:12:39 Nodes: 1 Procs: 1 Mar08-2024 01:12:39 Nodes: 1 Procs: 1 0 Mar08-2024 01:12:40 Nodes: 1 Procs: 1 Mar08-2024 01:12:40 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 01:12:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.04 0.81 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 Mar08-2024 01:12:39 Nodes: 1 Procs: 1 Mar08-2024 01:12:39 Nodes: 1 Procs: 1 0 Mar08-2024 01:12:40 Nodes: 1 Procs: 1 Mar08-2024 01:12:40 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar08-2024 01:12:41 Nodes: 1 Procs: 1 Mar08-2024 01:12:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 01:12:42 Hydrogen (TZP) kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.02 0.51 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 Mar08-2024 01:12:39 Nodes: 1 Procs: 1 Mar08-2024 01:12:39 Nodes: 1 Procs: 1 0 Mar08-2024 01:12:40 Nodes: 1 Procs: 1 Mar08-2024 01:12:40 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar08-2024 01:12:41 Nodes: 1 Procs: 1 Mar08-2024 01:12:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar08-2024 01:12:42 Nodes: 1 Procs: 1 Mar08-2024 01:12:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar08-2024 01:12:44 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 1819.341499999997 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3.793730 0.166462 -3.694780 3.803648 -0.202552 -3.677287 -3.780944 0.132303 -3.727032 0.164585 -3.777339 -3.882799 -0.216235 3.611341 3.716823 0.284941 3.662483 3.862393 -0.269180 -3.642892 -0.009246 0.003396 -0.074757 -4.057365 4.210647 0.613556 1 3 -3 0.075653 -2.399062 2.622553 Rho 0.1240649E+06 3,-3 2 3 -3 0.041381 -2.531515 -2.546691 Rho 0.1240648E+06 3,-3 3 3 -3 0.230875 2.379866 -2.738370 Rho 0.1240648E+06 3,-3 4 3 -3 -0.272985 2.552468 2.584703 Rho 0.1240649E+06 3,-3 5 3 -3 2.527573 -2.596778 0.260628 Rho 0.1240650E+06 3,-3 6 3 -3 2.408586 2.618442 -0.129431 Rho 0.1240648E+06 3,-3 7 3 -3 -2.386560 2.442599 -0.055024 Rho 0.1240648E+06 3,-3 8 3 -3 -2.433432 -2.630643 -0.177331 Rho 0.1240648E+06 3,-3 9 3 -3 -2.507447 -0.297594 -2.652456 Rho 0.1240649E+06 3,-3 10 3 -3 -2.712967 0.125230 2.397393 Rho 0.1240649E+06 3,-3 11 3 -3 2.502650 0.005915 2.472223 Rho 0.1240649E+06 3,-3 12 3 -3 2.686612 0.076798 -2.433602 Rho 0.1240648E+06 3,-3 13 3 -3 0.904065 -0.898681 0.948413 Rho 0.3186850E+03 3,-3 14 3 -3 -0.932490 -0.974006 -1.022017 Rho 0.3186845E+03 3,-3 15 3 -3 0.957990 0.951644 -1.010876 Rho 0.3186850E+03 3,-3 16 3 -3 -1.025288 1.003164 0.805615 Rho 0.3187015E+03 3,-3 17 3 -3 -3.043101 -1.146012 1.077960 Rho 0.3190503E+03 3,-3 18 3 -3 3.013674 -1.221046 -1.144137 Rho 0.3190449E+03 3,-3 19 3 -3 -3.003997 1.167145 -1.169667 Rho 0.3192001E+03 3,-3 20 3 -3 3.014379 1.152025 1.069763 Rho 0.3190436E+03 3,-3 21 3 -3 1.175735 -1.135459 -3.038851 Rho 0.3190577E+03 3,-3 22 3 -3 1.134809 1.178776 2.975065 Rho 0.3190452E+03 3,-3 23 3 -3 -1.146166 1.122797 -3.013727 Rho 0.3190113E+03 3,-3 24 3 -3 -1.213378 -1.110541 2.976484 Rho 0.3190594E+03 3,-3 25 3 -3 -1.100993 3.017971 -1.176689 Rho 0.3192125E+03 3,-3 26 3 -3 -1.157687 -3.000336 1.124704 Rho 0.3190583E+03 3,-3 27 3 -3 1.126172 3.006864 1.154770 Rho 0.3190657E+03 3,-3 28 3 -3 1.164534 -3.053238 -1.163717 Rho 0.3190564E+03 3,-3 29 3 -3 3.417074 -1.533432 1.522484 Rho 0.3191442E+03 3,-3 30 3 -3 -3.431112 -1.509153 -1.559834 Rho 0.3191478E+03 3,-3 31 3 -3 3.445323 1.531356 -1.543421 Rho 0.3191579E+03 3,-3 32 3 -3 -3.449529 1.587685 1.505282 Rho 0.3191643E+03 3,-3 33 3 -3 1.529476 -1.498761 3.416120 Rho 0.3191374E+03 3,-3 34 3 -3 1.609115 1.460616 -3.549081 Rho 0.3191766E+03 3,-3 35 3 -3 -1.555977 1.473032 3.410280 Rho 0.3191350E+03 3,-3 36 3 -3 -1.513058 -1.562389 -3.549564 Rho 0.3191785E+03 3,-3 37 3 -3 -1.522819 -3.434142 -1.618801 Rho 0.3191364E+03 3,-3 38 3 -3 -1.515100 3.447561 1.516068 Rho 0.3191633E+03 3,-3 39 3 -3 1.449778 -3.438746 1.534113 Rho 0.3191494E+03 3,-3 40 3 -3 1.504559 3.408154 -1.619813 Rho 0.3191291E+03 3,-3 41 3 -3 -0.259114 -3.625255 3.784722 Rho 0.3195209E+03 3,-3 42 3 -3 0.317239 -3.720115 -3.763873 Rho 0.3195172E+03 3,-3 43 3 -3 -0.169334 3.616194 -3.868614 Rho 0.3195309E+03 3,-3 44 3 -3 0.102689 3.715190 3.793931 Rho 0.3195290E+03 3,-3 45 3 -3 3.700305 -3.805220 -0.089943 Rho 0.3195306E+03 3,-3 46 3 -3 3.631696 3.793730 0.166462 Rho 0.3195258E+03 3,-3 47 3 -3 -3.694780 3.803648 -0.202552 Rho 0.3187908E+03 3,-3 48 3 -3 -3.677287 -3.780944 0.132303 Rho 0.3195212E+03 3,-3 49 3 -3 -3.727032 0.164585 -3.777339 Rho 0.3195290E+03 3,-3 50 3 -3 -3.882799 -0.216235 3.611341 Rho 0.3195218E+03 3,-3 51 3 -3 3.716823 0.284941 3.662483 Rho 0.3195198E+03 3,-3 52 3 -3 3.862393 -0.269180 -3.642892 Rho 0.3195231E+03 3,-3 53 3 -3 -0.009246 0.003396 -0.074757 Rho 0.1943313E+04 3,-3 54 3 -3 -4.057365 4.210647 0.613556 Rho 0.4524696E+00 3,-3 55 3 -1 -1.656633 -1.768493 -0.593425 Rho 0.4702633E-01 |GRAD(Rho)| 0.2008672E-15 GRAD(Rho)x -0.1183191E-15 GRAD(Rho)y -0.1419826E-15 GRAD(Rho)z 0.7867115E-16 Laplacian 0.1856328E+00 (-1/4)Del**2(Rho)) -0.4640819E-01 Diamond 0.8662045E-01 Metallicity 0.2274365E+01 Ellipticity 0.8313249E-02 Gb(Abramov) 0.4853033E-01 Vb(Abramov) -0.5065246E-01 Hb(Abramov) -0.2122134E-02 Ex_ueg -0.1253641E-01 Ec_ueg -0.2251171E-02 Delta_ex -0.1504839E-01 Delta_ec 0.5537315E-02 Delta_et -0.5745897E-01 Pxc 0.5568837E+01 Qxc -0.2717633E+01 3,-1 56 3 -1 -2.937759 -2.027711 -0.901834 Rho 0.1063064E+00 |GRAD(Rho)| 0.2347913E-15 GRAD(Rho)x -0.4734237E-16 GRAD(Rho)y 0.8428317E-16 GRAD(Rho)z -0.2139673E-15 Laplacian 0.4111879E+00 (-1/4)Del**2(Rho)) -0.1027970E+00 Diamond 0.5513942E+00 Metallicity 0.3997959E+01 Ellipticity 0.2212799E-01 Gb(Abramov) 0.1370276E+00 Vb(Abramov) -0.1712583E+00 Hb(Abramov) -0.3423068E-01 Ex_ueg -0.3719324E-01 Ec_ueg -0.5708627E-02 Delta_ex -0.4066196E-01 Delta_ec 0.1133506E-01 Delta_et -0.1425238E+00 Pxc 0.6515270E+01 Qxc -0.3587272E+01 3,-1 57 3 -1 -0.782735 -2.985038 -2.048171 Rho 0.1091689E+00 |GRAD(Rho)| 0.2272341E-13 GRAD(Rho)x -0.1165395E-13 GRAD(Rho)y 0.1300110E-13 GRAD(Rho)z 0.1454340E-13 Laplacian 0.4254901E+00 (-1/4)Del**2(Rho)) -0.1063725E+00 Diamond 0.5884267E+00 Metallicity 0.4038515E+01 Ellipticity 0.2782595E-01 Gb(Abramov) 0.1425128E+00 Vb(Abramov) -0.1786532E+00 Hb(Abramov) -0.3614032E-01 Ex_ueg -0.3853453E-01 Ec_ueg -0.5883739E-02 Delta_ex -0.4232916E-01 Delta_ec 0.1164010E-01 Delta_et -0.1470705E+00 Pxc 0.6549327E+01 Qxc -0.3636496E+01 3,-1 58 3 -1 -1.689463 -0.621218 -1.802984 Rho 0.4951097E-01 |GRAD(Rho)| 0.2040442E-12 GRAD(Rho)x -0.2290214E-14 GRAD(Rho)y -0.7256815E-13 GRAD(Rho)z -0.1906899E-12 Laplacian 0.1984034E+00 (-1/4)Del**2(Rho)) -0.4960086E-01 Diamond 0.9938543E-01 Metallicity 0.2318639E+01 Ellipticity 0.9957355E-02 Gb(Abramov) 0.5223499E-01 Vb(Abramov) -0.5486911E-01 Hb(Abramov) -0.2634127E-02 Ex_ueg -0.1342725E-01 Ec_ueg -0.2387860E-02 Delta_ex -0.1629702E-01 Delta_ec 0.5923314E-02 Delta_et -0.6230306E-01 Pxc 0.5623130E+01 Qxc -0.2751335E+01 3,-1 59 3 +3 1.022272 1.135473 1.069447 Rho 0.4812720E-02 |GRAD(Rho)| 0.1057634E-13 GRAD(Rho)x 0.1778614E-14 GRAD(Rho)y -0.1897751E-14 GRAD(Rho)z 0.1025154E-13 Laplacian 0.1857930E-01 (-1/4)Del**2(Rho)) -0.4644825E-02 Diamond 0.1269341E-03 Metallicity 0.5088247E+00 Ellipticity -0.3228262E+00 Gb(Abramov) 0.3490450E-02 Vb(Abramov) -0.2336075E-02 Hb(Abramov) 0.1154375E-02 Ex_ueg -0.6001215E-03 Ec_ueg -0.1388623E-03 Delta_ex -0.6388530E-03 Delta_ec 0.8846702E-04 Delta_et -0.6765478E-03 Pxc 0.4321702E+01 Qxc -0.7221369E+01 3,+3 60 3 +1 -2.970653 -0.219395 -0.290364 Rho 0.5291977E-02 |GRAD(Rho)| 0.5584172E-15 GRAD(Rho)x -0.6642384E-16 GRAD(Rho)y -0.3775696E-15 GRAD(Rho)z -0.4060281E-15 Laplacian 0.2223427E-01 (-1/4)Del**2(Rho)) -0.5558569E-02 Diamond 0.4640575E-03 Metallicity 0.4980659E+00 Ellipticity -0.1684847E+01 Gb(Abramov) 0.4167135E-02 Vb(Abramov) -0.2775701E-02 Hb(Abramov) 0.1391434E-02 Ex_ueg -0.6810971E-03 Ec_ueg -0.1594993E-03 Delta_ex -0.1035421E-02 Delta_ec 0.5532578E-03 Delta_et -0.3115262E-02 Pxc 0.4270219E+01 Qxc -0.1871498E+01 3,+1 61 3 +1 -1.069666 -1.386936 -2.269398 Rho 0.2537969E-01 |GRAD(Rho)| 0.5997026E-14 GRAD(Rho)x 0.6989747E-15 GRAD(Rho)y -0.5951886E-14 GRAD(Rho)z 0.2254192E-15 Laplacian 0.9437765E-01 (-1/4)Del**2(Rho)) -0.2359441E-01 Diamond 0.1131642E-01 Metallicity 0.1600373E+01 Ellipticity -0.2795228E+01 Gb(Abramov) 0.2202292E-01 Vb(Abramov) -0.2045142E-01 Hb(Abramov) 0.1571495E-02 Ex_ueg -0.5508501E-02 Ec_ueg -0.1107850E-02 Delta_ex -0.5756587E-02 Delta_ec 0.1357125E-02 Delta_et -0.1207785E-01 Pxc 0.4972245E+01 Qxc -0.4241751E+01 3,+1 62 3 -1 -2.739897 -1.844719 0.478449 Rho 0.1034381E+00 |GRAD(Rho)| 0.2476083E-15 GRAD(Rho)x -0.5364090E-16 GRAD(Rho)y 0.1753629E-15 GRAD(Rho)z 0.1663742E-15 Laplacian 0.4313700E+00 (-1/4)Del**2(Rho)) -0.1078425E+00 Diamond 0.5597174E+00 Metallicity 0.3641085E+01 Ellipticity 0.1243023E-01 Gb(Abramov) 0.1373390E+00 Vb(Abramov) -0.1668354E+00 Hb(Abramov) -0.2949646E-01 Ex_ueg -0.3586128E-01 Ec_ueg -0.5533787E-02 Delta_ex -0.4238566E-01 Delta_ec 0.1196490E-01 Delta_et -0.1496522E+00 Pxc 0.6480423E+01 Qxc -0.3542500E+01 3,-1 63 3 +1 -1.777673 -1.729310 1.700172 Rho 0.1138096E-01 |GRAD(Rho)| 0.2342865E-14 GRAD(Rho)x 0.1981859E-14 GRAD(Rho)y -0.6851350E-15 GRAD(Rho)z 0.1044912E-14 Laplacian 0.5606092E-01 (-1/4)Del**2(Rho)) -0.1401523E-01 Diamond 0.2103677E-02 Metallicity 0.7078113E+00 Ellipticity -0.1246070E+01 Gb(Abramov) 0.1099684E-01 Vb(Abramov) -0.7978456E-02 Hb(Abramov) 0.3018387E-02 Ex_ueg -0.1890703E-02 Ec_ueg -0.4310677E-03 Delta_ex -0.2722025E-02 Delta_ec 0.7357703E-03 Delta_et -0.5439469E-02 Pxc 0.4386094E+01 Qxc -0.3699559E+01 3,+1 64 3 +1 -2.155182 -1.381994 -1.165815 Rho 0.2683397E-01 |GRAD(Rho)| 0.5782486E-16 GRAD(Rho)x 0.5675719E-16 GRAD(Rho)y 0.4956345E-17 GRAD(Rho)z 0.9887890E-17 Laplacian 0.1035709E+00 (-1/4)Del**2(Rho)) -0.2589272E-01 Diamond 0.1407846E-01 Metallicity 0.1600235E+01 Ellipticity -0.3243980E+01 Gb(Abramov) 0.2416755E-01 Vb(Abramov) -0.2244238E-01 Hb(Abramov) 0.1725168E-02 Ex_ueg -0.5933326E-02 Ec_ueg -0.1181488E-02 Delta_ex -0.6480347E-02 Delta_ec 0.1606756E-02 Delta_et -0.1445655E-01 Pxc 0.5021911E+01 Qxc -0.4033185E+01 3,+1 65 3 +3 -2.366209 -0.096583 -0.158786 Rho 0.4671828E-02 |GRAD(Rho)| 0.8393085E-15 GRAD(Rho)x 0.6244553E-15 GRAD(Rho)y 0.5138287E-15 GRAD(Rho)z 0.2246652E-15 Laplacian 0.1966145E-01 (-1/4)Del**2(Rho)) -0.4915364E-02 Diamond 0.1839753E-03 Metallicity 0.4575890E+00 Ellipticity -0.5571744E+00 Gb(Abramov) 0.3651778E-02 Vb(Abramov) -0.2388193E-02 Hb(Abramov) 0.1263585E-02 Ex_ueg -0.5768118E-03 Ec_ueg -0.1328177E-03 Delta_ex -0.7264664E-03 Delta_ec 0.1934335E-03 Delta_et -0.1202588E-02 Pxc 0.4342885E+01 Qxc -0.3755639E+01 3,+3 66 3 +3 -1.138874 -1.056808 1.059251 Rho 0.4663542E-02 |GRAD(Rho)| 0.1512448E-16 GRAD(Rho)x 0.6840100E-17 GRAD(Rho)y -0.1052791E-16 GRAD(Rho)z 0.8433618E-17 Laplacian 0.1811727E-01 (-1/4)Del**2(Rho)) -0.4529318E-02 Diamond 0.1174103E-03 Metallicity 0.4951234E+00 Ellipticity -0.1352381E+00 Gb(Abramov) 0.3393307E-02 Vb(Abramov) -0.2257296E-02 Hb(Abramov) 0.1136011E-02 Ex_ueg -0.5754481E-03 Ec_ueg -0.1324625E-03 Delta_ex -0.6164220E-03 Delta_ec 0.8417262E-04 Delta_et -0.6456706E-03 Pxc 0.4344235E+01 Qxc -0.7323308E+01 3,+3 67 3 -1 -2.979981 -0.937878 -2.059351 Rho 0.1604522E+00 |GRAD(Rho)| 0.3916797E-11 GRAD(Rho)x -0.1861664E-11 GRAD(Rho)y -0.2526543E-11 GRAD(Rho)z 0.2343521E-11 Laplacian 0.6138879E+00 (-1/4)Del**2(Rho)) -0.1534720E+00 Diamond 0.1346368E+01 Metallicity 0.5318225E+01 Ellipticity 0.6870003E-01 Gb(Abramov) 0.2383477E+00 Vb(Abramov) -0.3232235E+00 Hb(Abramov) -0.8487576E-01 Ex_ueg -0.6439406E-01 Ec_ueg -0.9115926E-02 Delta_ex -0.6700863E-01 Delta_ec 0.1527400E-01 Delta_et -0.2050562E+00 Pxc 0.7063908E+01 Qxc -0.4387105E+01 3,-1 68 3 +1 -1.719513 -0.514262 0.420527 Rho 0.8293453E-02 |GRAD(Rho)| 0.5242786E-17 GRAD(Rho)x 0.2012212E-17 GRAD(Rho)y -0.2894687E-18 GRAD(Rho)z -0.4832600E-17 Laplacian 0.3258031E-01 (-1/4)Del**2(Rho)) -0.8145077E-02 Diamond 0.8370942E-03 Metallicity 0.7187044E+00 Ellipticity -0.1434141E+01 Gb(Abramov) 0.6405702E-02 Vb(Abramov) -0.4666327E-02 Hb(Abramov) 0.1739375E-02 Ex_ueg -0.1239840E-02 Ec_ueg -0.2912853E-03 Delta_ex -0.1478244E-02 Delta_ec 0.4645988E-03 Delta_et -0.3140936E-02 Pxc 0.4256445E+01 Qxc -0.3181766E+01 3,+1 69 3 +3 1.139464 -1.131207 -1.086145 Rho 0.4882727E-02 |GRAD(Rho)| 0.5694951E-17 GRAD(Rho)x 0.4785611E-17 GRAD(Rho)y 0.1744505E-17 GRAD(Rho)z 0.2546976E-17 Laplacian 0.1880212E-01 (-1/4)Del**2(Rho)) -0.4700531E-02 Diamond 0.1267034E-03 Metallicity 0.5150432E+00 Ellipticity -0.1954417E+00 Gb(Abramov) 0.3537184E-02 Vb(Abramov) -0.2373836E-02 Hb(Abramov) 0.1163348E-02 Ex_ueg -0.6117890E-03 Ec_ueg -0.1418696E-03 Delta_ex -0.6449552E-03 Delta_ec 0.8214265E-04 Delta_et -0.6496213E-03 Pxc 0.4312334E+01 Qxc -0.7851648E+01 3,+3 70 3 -1 -3.338485 -0.056764 3.047208 Rho 0.2379298E+00 |GRAD(Rho)| 0.6404442E-15 GRAD(Rho)x -0.3203275E-15 GRAD(Rho)y -0.1712904E-15 GRAD(Rho)z 0.5274644E-15 Laplacian 0.8526682E+00 (-1/4)Del**2(Rho)) -0.2131671E+00 Diamond 0.2998298E+01 Metallicity 0.7383253E+01 Ellipticity 0.2182130E-02 Gb(Abramov) 0.4044224E+00 Vb(Abramov) -0.5956778E+00 Hb(Abramov) -0.1912554E+00 Ex_ueg -0.1088889E+00 Ec_ueg -0.1429612E-01 Delta_ex -0.1028620E+00 Delta_ec 0.1901847E-01 Delta_et -0.2639438E+00 Pxc 0.7616671E+01 Qxc -0.5408528E+01 3,-1 71 3 -1 -2.867317 -0.552256 1.696293 Rho 0.1606012E+00 |GRAD(Rho)| 0.2312442E-12 GRAD(Rho)x -0.3585223E-14 GRAD(Rho)y 0.1651880E-12 GRAD(Rho)z 0.1617837E-12 Laplacian 0.6627066E+00 (-1/4)Del**2(Rho)) -0.1656767E+00 Diamond 0.1432597E+01 Metallicity 0.4934086E+01 Ellipticity 0.3214272E-01 Gb(Abramov) 0.2466949E+00 Vb(Abramov) -0.3277132E+00 Hb(Abramov) -0.8101826E-01 Ex_ueg -0.6447385E-01 Ec_ueg -0.9125564E-02 Delta_ex -0.7214981E-01 Delta_ec 0.1612005E-01 Delta_et -0.2155094E+00 Pxc 0.7065191E+01 Qxc -0.4475782E+01 3,-1 72 3 +1 -1.415856 1.125818 2.076802 Rho 0.2290801E-01 |GRAD(Rho)| 0.4661960E-12 GRAD(Rho)x 0.2713266E-12 GRAD(Rho)y 0.3489457E-12 GRAD(Rho)z 0.1481805E-12 Laplacian 0.8553957E-01 (-1/4)Del**2(Rho)) -0.2138489E-01 Diamond 0.9774730E-02 Metallicity 0.1488532E+01 Ellipticity -0.3539241E+01 Gb(Abramov) 0.1956194E-01 Vb(Abramov) -0.1773900E-01 Hb(Abramov) 0.1822947E-02 Ex_ueg -0.4805089E-02 Ec_ueg -0.9839734E-03 Delta_ex -0.5179985E-02 Delta_ec 0.1419897E-02 Delta_et -0.1227606E-01 Pxc 0.4883353E+01 Qxc -0.3648142E+01 3,+1 73 3 -1 -2.091263 0.831238 2.909588 Rho 0.1048314E+00 |GRAD(Rho)| 0.7176318E-13 GRAD(Rho)x -0.2099865E-13 GRAD(Rho)y 0.6855682E-13 GRAD(Rho)z 0.2995474E-14 Laplacian 0.4064700E+00 (-1/4)Del**2(Rho)) -0.1016175E+00 Diamond 0.5346100E+00 Metallicity 0.3951270E+01 Ellipticity 0.1170555E-01 Gb(Abramov) 0.1346647E+00 Vb(Abramov) -0.1677119E+00 Hb(Abramov) -0.3304720E-01 Ex_ueg -0.3650677E-01 Ec_ueg -0.5618637E-02 Delta_ex -0.4004219E-01 Delta_ec 0.1120125E-01 Delta_et -0.1404124E+00 Pxc 0.6497442E+01 Qxc -0.3574798E+01 3,-1 74 3 +1 -1.707451 1.728442 -1.779631 Rho 0.1194688E-01 |GRAD(Rho)| 0.4685119E-15 GRAD(Rho)x -0.3964930E-15 GRAD(Rho)y -0.1002953E-15 GRAD(Rho)z 0.2285554E-15 Laplacian 0.5796085E-01 (-1/4)Del**2(Rho)) -0.1449021E-01 Diamond 0.2379920E-02 Metallicity 0.7422826E+00 Ellipticity -0.1324893E+01 Gb(Abramov) 0.1145278E-01 Vb(Abramov) -0.8415348E-02 Hb(Abramov) 0.3037432E-02 Ex_ueg -0.2017086E-02 Ec_ueg -0.4571174E-03 Delta_ex -0.2866486E-02 Delta_ec 0.7894431E-03 Delta_et -0.5884500E-02 Pxc 0.4412622E+01 Qxc -0.3631023E+01 3,+1 75 3 +1 -1.693470 0.449075 -0.680952 Rho 0.9133566E-02 |GRAD(Rho)| 0.4227429E-14 GRAD(Rho)x 0.2625200E-14 GRAD(Rho)y 0.2491696E-15 GRAD(Rho)z 0.3304148E-14 Laplacian 0.3716778E-01 (-1/4)Del**2(Rho)) -0.9291944E-02 Diamond 0.1091678E-02 Metallicity 0.7399128E+00 Ellipticity -0.1435708E+01 Gb(Abramov) 0.7340501E-02 Vb(Abramov) -0.5389058E-02 Hb(Abramov) 0.1951443E-02 Ex_ueg -0.1410064E-02 Ec_ueg -0.3289161E-03 Delta_ex -0.1729079E-02 Delta_ec 0.5318784E-03 Delta_et -0.3684889E-02 Pxc 0.4287003E+01 Qxc -0.3250891E+01 3,+1 76 3 -1 -1.676909 1.693462 0.377449 Rho 0.8116934E-01 |GRAD(Rho)| 0.1678560E-15 GRAD(Rho)x 0.1157640E-15 GRAD(Rho)y -0.8498620E-16 GRAD(Rho)z 0.8690050E-16 Laplacian 0.2988136E+00 (-1/4)Del**2(Rho)) -0.7470339E-01 Diamond 0.2822685E+00 Metallicity 0.3509131E+01 Ellipticity 0.2885989E-01 Gb(Abramov) 0.9349292E-01 Vb(Abramov) -0.1122824E+00 Hb(Abramov) -0.1878953E-01 Ex_ueg -0.2595620E-01 Ec_ueg -0.4199268E-02 Delta_ex -0.2761068E-01 Delta_ec 0.8448977E-02 Delta_et -0.1002189E+00 Pxc 0.6181125E+01 Qxc -0.3267932E+01 3,-1 77 3 +1 0.203513 2.922734 -0.229302 Rho 0.5522703E-02 |GRAD(Rho)| 0.1829512E-17 GRAD(Rho)x 0.1669150E-17 GRAD(Rho)y 0.7211344E-18 GRAD(Rho)z -0.2025207E-18 Laplacian 0.2313029E-01 (-1/4)Del**2(Rho)) -0.5782573E-02 Diamond 0.5753119E-03 Metallicity 0.5140653E+00 Ellipticity -0.2311306E+01 Gb(Abramov) 0.4350485E-02 Vb(Abramov) -0.2918397E-02 Hb(Abramov) 0.1432088E-02 Ex_ueg -0.7209758E-03 Ec_ueg -0.1694757E-03 Delta_ex -0.1138908E-02 Delta_ec 0.6684562E-03 Delta_et -0.3764119E-02 Pxc 0.4254153E+01 Qxc -0.1703789E+01 3,+1 78 3 +1 -0.458579 1.690892 -0.647754 Rho 0.9540656E-02 |GRAD(Rho)| 0.1009939E-16 GRAD(Rho)x -0.2855888E-17 GRAD(Rho)y -0.3970192E-17 GRAD(Rho)z 0.8836236E-17 Laplacian 0.3886760E-01 (-1/4)Del**2(Rho)) -0.9716900E-02 Diamond 0.1178055E-02 Metallicity 0.7608911E+00 Ellipticity -0.1421737E+01 Gb(Abramov) 0.7710184E-02 Vb(Abramov) -0.5703468E-02 Hb(Abramov) 0.2006716E-02 Ex_ueg -0.1494478E-02 Ec_ueg -0.3472617E-03 Delta_ex -0.1815167E-02 Delta_ec 0.5327240E-03 Delta_et -0.3750432E-02 Pxc 0.4303605E+01 Qxc -0.3407332E+01 3,+1 79 3 +1 -1.091275 2.173401 1.339832 Rho 0.2788240E-01 |GRAD(Rho)| 0.4812749E-16 GRAD(Rho)x -0.1822280E-16 GRAD(Rho)y 0.1622903E-16 GRAD(Rho)z -0.4148257E-16 Laplacian 0.1092206E+00 (-1/4)Del**2(Rho)) -0.2730515E-01 Diamond 0.1472000E-01 Metallicity 0.1617554E+01 Ellipticity -0.2629991E+01 Gb(Abramov) 0.2556469E-01 Vb(Abramov) -0.2382424E-01 Hb(Abramov) 0.1740458E-02 Ex_ueg -0.6244417E-02 Ec_ueg -0.1234905E-02 Delta_ex -0.6817884E-02 Delta_ec 0.1537989E-02 Delta_et -0.1398731E-01 Pxc 0.5056596E+01 Qxc -0.4432986E+01 3,+1 80 3 +1 -0.636982 -0.420087 1.625463 Rho 0.7857743E-02 |GRAD(Rho)| 0.6664199E-16 GRAD(Rho)x 0.5177240E-16 GRAD(Rho)y -0.3666965E-17 GRAD(Rho)z -0.4180104E-16 Laplacian 0.3089477E-01 (-1/4)Del**2(Rho)) -0.7723693E-02 Diamond 0.7462288E-03 Metallicity 0.6927202E+00 Ellipticity -0.1423937E+01 Gb(Abramov) 0.6040855E-02 Vb(Abramov) -0.4358017E-02 Hb(Abramov) 0.1682838E-02 Ex_ueg -0.1153760E-02 Ec_ueg -0.2718928E-03 Delta_ex -0.1387308E-02 Delta_ec 0.4484305E-03 Delta_et -0.2983067E-02 Pxc 0.4243436E+01 Qxc -0.3093696E+01 3,+1 81 3 +1 -0.506715 0.491062 -1.724106 Rho 0.9312820E-02 |GRAD(Rho)| 0.2064657E-16 GRAD(Rho)x 0.1514042E-16 GRAD(Rho)y -0.8668872E-17 GRAD(Rho)z 0.1104080E-16 Laplacian 0.3734773E-01 (-1/4)Del**2(Rho)) -0.9336931E-02 Diamond 0.1108364E-02 Metallicity 0.7605907E+00 Ellipticity -0.1442404E+01 Gb(Abramov) 0.7408218E-02 Vb(Abramov) -0.5479505E-02 Hb(Abramov) 0.1928713E-02 Ex_ueg -0.1447083E-02 Ec_ueg -0.3369854E-03 Delta_ex -0.1738729E-02 Delta_ec 0.5213829E-03 Delta_et -0.3640440E-02 Pxc 0.4294200E+01 Qxc -0.3334840E+01 3,+1 82 3 +3 -1.088585 1.068082 -1.202413 Rho 0.5333597E-02 |GRAD(Rho)| 0.2494330E-17 GRAD(Rho)x 0.4047320E-18 GRAD(Rho)y -0.2358447E-17 GRAD(Rho)z -0.7039888E-18 Laplacian 0.2098396E-01 (-1/4)Del**2(Rho)) -0.5245989E-02 Diamond 0.1638816E-03 Metallicity 0.5346786E+00 Ellipticity -0.4500595E+00 Gb(Abramov) 0.3964813E-02 Vb(Abramov) -0.2683636E-02 Hb(Abramov) 0.1281177E-02 Ex_ueg -0.6882486E-03 Ec_ueg -0.1612970E-03 Delta_ex -0.7413457E-03 Delta_ec 0.9818280E-04 Delta_et -0.7693644E-03 Pxc 0.4266965E+01 Qxc -0.7550667E+01 3,+3 83 3 +1 0.547753 -0.512778 -1.723400 Rho 0.9118024E-02 |GRAD(Rho)| 0.1393071E-16 GRAD(Rho)x -0.9812516E-17 GRAD(Rho)y 0.2489121E-18 GRAD(Rho)z 0.9885202E-17 Laplacian 0.3602793E-01 (-1/4)Del**2(Rho)) -0.9006982E-02 Diamond 0.1022145E-02 Metallicity 0.7611585E+00 Ellipticity -0.1432558E+01 Gb(Abramov) 0.7147278E-02 Vb(Abramov) -0.5287574E-02 Hb(Abramov) 0.1859704E-02 Ex_ueg -0.1406866E-02 Ec_ueg -0.3282171E-03 Delta_ex -0.1661324E-02 Delta_ec 0.4905650E-03 Delta_et -0.3416778E-02 Pxc 0.4286388E+01 Qxc -0.3386553E+01 3,+1 84 3 +1 -0.203014 -0.234683 -2.907668 Rho 0.5533567E-02 |GRAD(Rho)| 0.3429195E-17 GRAD(Rho)x 0.3216152E-17 GRAD(Rho)y 0.1036915E-17 GRAD(Rho)z -0.5835671E-18 Laplacian 0.2291159E-01 (-1/4)Del**2(Rho)) -0.5727899E-02 Diamond 0.5285356E-03 Metallicity 0.5206747E+00 Ellipticity -0.1942225E+01 Gb(Abramov) 0.4315661E-02 Vb(Abramov) -0.2903423E-02 Hb(Abramov) 0.1412238E-02 Ex_ueg -0.7228673E-03 Ec_ueg -0.1699461E-03 Delta_ex -0.1093833E-02 Delta_ec 0.6000851E-03 Delta_et -0.3408082E-02 Pxc 0.4253509E+01 Qxc -0.1822796E+01 3,+1 85 3 +1 2.182074 1.357100 -1.141596 Rho 0.2666502E-01 |GRAD(Rho)| 0.7623338E-16 GRAD(Rho)x -0.7468602E-16 GRAD(Rho)y -0.1323685E-16 GRAD(Rho)z 0.7636252E-17 Laplacian 0.1030766E+00 (-1/4)Del**2(Rho)) -0.2576915E-01 Diamond 0.1431281E-01 Metallicity 0.1591071E+01 Ellipticity -0.3649034E+01 Gb(Abramov) 0.2401286E-01 Vb(Abramov) -0.2225657E-01 Hb(Abramov) 0.1756292E-02 Ex_ueg -0.5883571E-02 Ec_ueg -0.1172905E-02 Delta_ex -0.6480530E-02 Delta_ec 0.1674377E-02 Delta_et -0.1502754E-01 Pxc 0.5016236E+01 Qxc -0.3870413E+01 3,+1 86 3 +1 1.121179 -2.142549 1.304169 Rho 0.2490186E-01 |GRAD(Rho)| 0.3036341E-15 GRAD(Rho)x 0.3002742E-15 GRAD(Rho)y 0.3695681E-16 GRAD(Rho)z 0.2575371E-16 Laplacian 0.9500442E-01 (-1/4)Del**2(Rho)) -0.2375111E-01 Diamond 0.1246016E-01 Metallicity 0.1540242E+01 Ellipticity -0.4367223E+01 Gb(Abramov) 0.2193115E-01 Vb(Abramov) -0.2011119E-01 Hb(Abramov) 0.1819960E-02 Ex_ueg -0.5370657E-02 Ec_ueg -0.1083774E-02 Delta_ex -0.5913664E-02 Delta_ec 0.1631984E-02 Delta_et -0.1438732E-01 Pxc 0.4955513E+01 Qxc -0.3623604E+01 3,+1 87 3 +3 -0.153296 0.145336 2.268039 Rho 0.4302141E-02 |GRAD(Rho)| 0.4795894E-17 GRAD(Rho)x 0.2902255E-17 GRAD(Rho)y 0.3427301E-17 GRAD(Rho)z 0.1682596E-17 Laplacian 0.1762408E-01 (-1/4)Del**2(Rho)) -0.4406020E-02 Diamond 0.1373093E-03 Metallicity 0.4449533E+00 Ellipticity -0.3534491E+00 Gb(Abramov) 0.3264092E-02 Vb(Abramov) -0.2122165E-02 Hb(Abramov) 0.1141928E-02 Ex_ueg -0.5167708E-03 Ec_ueg -0.1170058E-03 Delta_ex -0.6262400E-03 Delta_ec 0.1528101E-03 Delta_et -0.9580373E-03 Pxc 0.4416625E+01 Qxc -0.4098158E+01 3,+3 88 3 +1 -0.192577 0.186131 2.907701 Rho 0.5114366E-02 |GRAD(Rho)| 0.1168959E-16 GRAD(Rho)x 0.7326333E-17 GRAD(Rho)y 0.9100119E-17 GRAD(Rho)z 0.3990739E-18 Laplacian 0.2100654E-01 (-1/4)Del**2(Rho)) -0.5251634E-02 Diamond 0.4884850E-03 Metallicity 0.4980180E+00 Ellipticity -0.2461085E+01 Gb(Abramov) 0.3936991E-02 Vb(Abramov) -0.2622348E-02 Hb(Abramov) 0.1314643E-02 Ex_ueg -0.6507899E-03 Ec_ueg -0.1518377E-03 Delta_ex -0.1034122E-02 Delta_ec 0.6349187E-03 Delta_et -0.3482346E-02 Pxc 0.4286088E+01 Qxc -0.1628747E+01 3,+1 89 3 -1 -0.102274 -3.055483 3.243258 Rho 0.2363475E+00 |GRAD(Rho)| 0.1171613E-13 GRAD(Rho)x -0.1032201E-14 GRAD(Rho)y 0.1026745E-13 GRAD(Rho)z -0.5548134E-14 Laplacian 0.8659840E+00 (-1/4)Del**2(Rho)) -0.2164960E+00 Diamond 0.3004148E+01 Metallicity 0.7189328E+01 Ellipticity 0.3458011E-02 Gb(Abramov) 0.4037408E+00 Vb(Abramov) -0.5909855E+00 Hb(Abramov) -0.1872448E+00 Ex_ueg -0.1079244E+00 Ec_ueg -0.1418699E-01 Delta_ex -0.1041966E+00 Delta_ec 0.1919217E-01 Delta_et -0.2655896E+00 Pxc 0.7607280E+01 Qxc -0.5429119E+01 3,-1 90 3 +1 0.404028 0.638983 1.626881 Rho 0.7860472E-02 |GRAD(Rho)| 0.6270652E-17 GRAD(Rho)x 0.5928102E-18 GRAD(Rho)y 0.6027139E-17 GRAD(Rho)z -0.1625805E-17 Laplacian 0.3087029E-01 (-1/4)Del**2(Rho)) -0.7717572E-02 Diamond 0.7444583E-03 Metallicity 0.6936709E+00 Ellipticity -0.1423027E+01 Gb(Abramov) 0.6037291E-02 Vb(Abramov) -0.4357009E-02 Hb(Abramov) 0.1680282E-02 Ex_ueg -0.1154294E-02 Ec_ueg -0.2720140E-03 Delta_ex -0.1385551E-02 Delta_ec 0.4466861E-03 Delta_et -0.2972855E-02 Pxc 0.4243510E+01 Qxc -0.3101844E+01 3,+1 91 3 +1 0.189638 -2.946141 0.172563 Rho 0.5206695E-02 |GRAD(Rho)| 0.6499946E-17 GRAD(Rho)x 0.5022180E-17 GRAD(Rho)y 0.4434864E-18 GRAD(Rho)z -0.4102479E-17 Laplacian 0.2154605E-01 (-1/4)Del**2(Rho)) -0.5386513E-02 Diamond 0.4797488E-03 Metallicity 0.5002446E+00 Ellipticity -0.2034146E+01 Gb(Abramov) 0.4040104E-02 Vb(Abramov) -0.2693696E-02 Hb(Abramov) 0.1346409E-02 Ex_ueg -0.6665017E-03 Ec_ueg -0.1558185E-03 Delta_ex -0.1034962E-02 Delta_ec 0.5986309E-03 Delta_et -0.3322969E-02 Pxc 0.4277422E+01 Qxc -0.1728881E+01 3,+1 92 3 -1 -0.567799 -2.701653 1.829195 Rho 0.1051932E+00 |GRAD(Rho)| 0.1221994E-11 GRAD(Rho)x -0.1260169E-12 GRAD(Rho)y 0.9760311E-12 GRAD(Rho)z 0.7243982E-12 Laplacian 0.4366890E+00 (-1/4)Del**2(Rho)) -0.1091722E+00 Diamond 0.5792946E+00 Metallicity 0.3699025E+01 Ellipticity 0.1227515E-01 Gb(Abramov) 0.1400866E+00 Vb(Abramov) -0.1710010E+00 Hb(Abramov) -0.3091439E-01 Ex_ueg -0.3667489E-01 Ec_ueg -0.5640699E-02 Delta_ex -0.4309464E-01 Delta_ec 0.1209746E-01 Delta_et -0.1518443E+00 Pxc 0.6501834E+01 Qxc -0.3562287E+01 3,-1 93 3 +1 1.290638 -1.081358 2.168526 Rho 0.2665330E-01 |GRAD(Rho)| 0.2066077E-16 GRAD(Rho)x -0.6088607E-17 GRAD(Rho)y -0.1713711E-17 GRAD(Rho)z 0.1966874E-16 Laplacian 0.1034420E+00 (-1/4)Del**2(Rho)) -0.2586050E-01 Diamond 0.1470662E-01 Metallicity 0.1584290E+01 Ellipticity -0.4205799E+01 Gb(Abramov) 0.2406875E-01 Vb(Abramov) -0.2227701E-01 Hb(Abramov) 0.1791743E-02 Ex_ueg -0.5880124E-02 Ec_ueg -0.1172310E-02 Delta_ex -0.6537807E-02 Delta_ec 0.1742940E-02 Delta_et -0.1562915E-01 Pxc 0.5015842E+01 Qxc -0.3751022E+01 3,+1 94 3 -1 -2.698491 1.756768 -0.647972 Rho 0.1874652E+00 |GRAD(Rho)| 0.3532514E-14 GRAD(Rho)x 0.8588236E-15 GRAD(Rho)y 0.2724654E-14 GRAD(Rho)z 0.2077819E-14 Laplacian 0.7789089E+00 (-1/4)Del**2(Rho)) -0.1947272E+00 Diamond 0.2011253E+01 Metallicity 0.5432433E+01 Ellipticity 0.1820010E-01 Gb(Abramov) 0.3061253E+00 Vb(Abramov) -0.4175233E+00 Hb(Abramov) -0.1113980E+00 Ex_ueg -0.7924029E-01 Ec_ueg -0.1088360E-01 Delta_ex -0.8804688E-01 Delta_ec 0.1797557E-01 Delta_et -0.2435425E+00 Pxc 0.7280708E+01 Qxc -0.4898141E+01 3,-1 95 3 -1 0.017132 3.041864 -3.341188 Rho 0.2362087E+00 |GRAD(Rho)| 0.9113868E-14 GRAD(Rho)x -0.5591231E-14 GRAD(Rho)y 0.7085803E-14 GRAD(Rho)z -0.1261794E-14 Laplacian 0.8739387E+00 (-1/4)Del**2(Rho)) -0.2184847E+00 Diamond 0.3021299E+01 Metallicity 0.7116921E+01 Ellipticity 0.3535216E-02 Gb(Abramov) 0.4048128E+00 Vb(Abramov) -0.5911410E+00 Hb(Abramov) -0.1863281E+00 Ex_ueg -0.1078400E+00 Ec_ueg -0.1417743E-01 Delta_ex -0.1050925E+00 Delta_ec 0.1929122E-01 Delta_et -0.2666051E+00 Pxc 0.7606454E+01 Qxc -0.5447685E+01 3,-1 96 3 -1 -0.017585 2.920397 0.008088 Rho 0.5610148E-02 |GRAD(Rho)| 0.4823578E-17 GRAD(Rho)x 0.1652176E-17 GRAD(Rho)y 0.7053038E-19 GRAD(Rho)z 0.4531252E-17 Laplacian 0.2307900E-01 (-1/4)Del**2(Rho)) -0.5769750E-02 Diamond 0.7315763E-03 Metallicity 0.5288753E+00 Ellipticity 0.2976940E+01 Gb(Abramov) 0.4355080E-02 Vb(Abramov) -0.2940410E-02 Hb(Abramov) 0.1414670E-02 Ex_ueg -0.7362367E-03 Ec_ueg -0.1732637E-03 Delta_ex -0.1255688E-02 Delta_ec 0.8735400E-03 Delta_et -0.4852265E-02 Pxc 0.4249226E+01 Qxc -0.1437471E+01 3,-1 97 3 +1 0.198607 0.155182 -2.928937 Rho 0.5638860E-02 |GRAD(Rho)| 0.4026265E-17 GRAD(Rho)x -0.3802707E-17 GRAD(Rho)y 0.1322878E-17 GRAD(Rho)z -0.1501007E-19 Laplacian 0.2304756E-01 (-1/4)Del**2(Rho)) -0.5761890E-02 Diamond 0.6057343E-03 Metallicity 0.5341220E+00 Ellipticity -0.3186214E+01 Gb(Abramov) 0.4354185E-02 Vb(Abramov) -0.2946480E-02 Hb(Abramov) 0.1407705E-02 Ex_ueg -0.7412650E-03 Ec_ueg -0.1745083E-03 Delta_ex -0.1152421E-02 Delta_ec 0.6889317E-03 Delta_et -0.3893540E-02 Pxc 0.4247734E+01 Qxc -0.1672766E+01 3,+1 98 3 -1 -0.644267 1.752875 1.665155 Rho 0.3828500E-01 |GRAD(Rho)| 0.2735398E-16 GRAD(Rho)x 0.9060817E-17 GRAD(Rho)y 0.1138762E-16 GRAD(Rho)z 0.2316169E-16 Laplacian 0.1530709E+00 (-1/4)Del**2(Rho)) -0.3826771E-01 Diamond 0.5402782E-01 Metallicity 0.1957800E+01 Ellipticity 0.2187931E-01 Gb(Abramov) 0.3799856E-01 Vb(Abramov) -0.3772941E-01 Hb(Abramov) 0.2691500E-03 Ex_ueg -0.9529933E-02 Ec_ueg -0.1778362E-02 Delta_ex -0.1179140E-01 Delta_ec 0.4574949E-02 Delta_et -0.4493213E-01 Pxc 0.5358826E+01 Qxc -0.2577385E+01 3,-1 99 3 +1 1.763048 -1.775097 -1.756247 Rho 0.1179246E-01 |GRAD(Rho)| 0.2338849E-14 GRAD(Rho)x 0.1041163E-14 GRAD(Rho)y 0.1975881E-14 GRAD(Rho)z -0.6943276E-15 Laplacian 0.5786257E-01 (-1/4)Del**2(Rho)) -0.1446564E-01 Diamond 0.2285328E-02 Metallicity 0.7275943E+00 Ellipticity -0.1285486E+01 Gb(Abramov) 0.1139795E-01 Vb(Abramov) -0.8330254E-02 Hb(Abramov) 0.3067695E-02 Ex_ueg -0.1982398E-02 Ec_ueg -0.4499966E-03 Delta_ex -0.2837532E-02 Delta_ec 0.7624486E-03 Delta_et -0.5683894E-02 Pxc 0.4405362E+01 Qxc -0.3721604E+01 3,+1 100 3 +1 0.565337 -1.699797 -0.518541 Rho 0.8242032E-02 |GRAD(Rho)| 0.2206503E-16 GRAD(Rho)x -0.8039424E-18 GRAD(Rho)y -0.1946304E-16 GRAD(Rho)z -0.1036384E-16 Laplacian 0.3201709E-01 (-1/4)Del**2(Rho)) -0.8004271E-02 Diamond 0.8144077E-03 Metallicity 0.7238054E+00 Ellipticity -0.1441900E+01 Gb(Abramov) 0.6301770E-02 Vb(Abramov) -0.4599269E-02 Hb(Abramov) 0.1702501E-02 Ex_ueg -0.1229601E-02 Ec_ueg -0.2889922E-03 Delta_ex -0.1449809E-02 Delta_ec 0.4554798E-03 Delta_et -0.3075219E-02 Pxc 0.4254789E+01 Qxc -0.3183036E+01 3,+1 101 3 +1 1.954561 -1.966818 1.993220 Rho 0.1214949E-01 |GRAD(Rho)| 0.2091038E-13 GRAD(Rho)x -0.1203870E-13 GRAD(Rho)y 0.1199654E-13 GRAD(Rho)z -0.1218182E-13 Laplacian 0.5408430E-01 (-1/4)Del**2(Rho)) -0.1352107E-01 Diamond 0.1592657E-02 Metallicity 0.8180981E+00 Ellipticity -0.1069243E+01 Gb(Abramov) 0.1085764E-01 Vb(Abramov) -0.8194213E-02 Hb(Abramov) 0.2663430E-02 Ex_ueg -0.2062825E-02 Ec_ueg -0.4664744E-03 Delta_ex -0.2493331E-02 Delta_ec 0.3916176E-03 Delta_et -0.3182326E-02 Pxc 0.4422162E+01 Qxc -0.6366748E+01 3,+1 102 3 -1 0.847396 -1.912556 3.023541 Rho 0.1562069E+00 |GRAD(Rho)| 0.2223196E-15 GRAD(Rho)x -0.1006140E-15 GRAD(Rho)y 0.1786359E-15 GRAD(Rho)z 0.8597723E-16 Laplacian 0.6019529E+00 (-1/4)Del**2(Rho)) -0.1504882E+00 Diamond 0.1278092E+01 Metallicity 0.5186617E+01 Ellipticity 0.6651084E-01 Gb(Abramov) 0.2304130E+00 Vb(Abramov) -0.3103377E+00 Hb(Abramov) -0.7992472E-01 Ex_ueg -0.6213246E-01 Ec_ueg -0.8842019E-02 Delta_ex -0.6526843E-01 Delta_ec 0.1507449E-01 Delta_et -0.2016686E+00 Pxc 0.7026954E+01 Qxc -0.4329728E+01 3,-1 103 3 +3 1.908044 -1.917343 1.946772 Rho 0.1214254E-01 |GRAD(Rho)| 0.1409963E-16 GRAD(Rho)x -0.1251868E-16 GRAD(Rho)y -0.4330054E-17 GRAD(Rho)z 0.4830412E-17 Laplacian 0.5343028E-01 (-1/4)Del**2(Rho)) -0.1335757E-01 Diamond 0.1368608E-02 Metallicity 0.8273226E+00 Ellipticity -0.9156959E+00 Gb(Abramov) 0.1074688E-01 Vb(Abramov) -0.8136197E-02 Hb(Abramov) 0.2610687E-02 Ex_ueg -0.2061252E-02 Ec_ueg -0.4661531E-03 Delta_ex -0.2404881E-02 Delta_ec 0.2835061E-03 Delta_et -0.2445061E-02 Pxc 0.4421835E+01 Qxc -0.8482646E+01 3,+3 104 3 -1 1.686713 -1.717674 0.592592 Rho 0.4107203E-01 |GRAD(Rho)| 0.2074246E-13 GRAD(Rho)x 0.1397334E-13 GRAD(Rho)y -0.1457359E-13 GRAD(Rho)z -0.4754575E-14 Laplacian 0.1612975E+00 (-1/4)Del**2(Rho)) -0.4032437E-01 Diamond 0.6240563E-01 Metallicity 0.2088795E+01 Ellipticity 0.7665958E-02 Gb(Abramov) 0.4092114E-01 Vb(Abramov) -0.4151790E-01 Hb(Abramov) -0.5967649E-03 Ex_ueg -0.1046598E-01 Ec_ueg -0.1927663E-02 Delta_ex -0.1262998E-01 Delta_ec 0.4795293E-02 Delta_et -0.4799505E-01 Pxc 0.5429361E+01 Qxc -0.2633828E+01 3,-1 105 3 -1 0.644076 -1.786871 -2.789611 Rho 0.1597206E+00 |GRAD(Rho)| 0.5143790E-15 GRAD(Rho)x -0.2246738E-15 GRAD(Rho)y -0.4224052E-15 GRAD(Rho)z 0.1888951E-15 Laplacian 0.6620056E+00 (-1/4)Del**2(Rho)) -0.1655014E+00 Diamond 0.1423633E+01 Metallicity 0.4894253E+01 Ellipticity 0.2381860E-01 Gb(Abramov) 0.2453352E+00 Vb(Abramov) -0.3251690E+00 Hb(Abramov) -0.7983381E-01 Ex_ueg -0.6400290E-01 Ec_ueg -0.9068648E-02 Delta_ex -0.7199287E-01 Delta_ec 0.1615795E-01 Delta_et -0.2159563E+00 Pxc 0.7057601E+01 Qxc -0.4455569E+01 3,-1 106 3 -1 0.583956 1.639362 -1.838008 Rho 0.5078521E-01 |GRAD(Rho)| 0.4249427E-13 GRAD(Rho)x -0.3257608E-13 GRAD(Rho)y -0.3578027E-14 GRAD(Rho)z -0.2705105E-13 Laplacian 0.2017332E+00 (-1/4)Del**2(Rho)) -0.5043330E-01 Diamond 0.1044528E+00 Metallicity 0.2379019E+01 Ellipticity 0.3205379E-02 Gb(Abramov) 0.5361916E-01 Vb(Abramov) -0.5680502E-01 Hb(Abramov) -0.3185863E-02 Ex_ueg -0.1388997E-01 Ec_ueg -0.2458323E-02 Delta_ex -0.1667044E-01 Delta_ec 0.6010095E-02 Delta_et -0.6363329E-01 Pxc 0.5650182E+01 Qxc -0.2773741E+01 3,-1 107 3 +1 2.143458 -1.167341 1.260962 Rho 0.2528839E-01 |GRAD(Rho)| 0.2619050E-16 GRAD(Rho)x -0.2298486E-16 GRAD(Rho)y -0.1216254E-16 GRAD(Rho)z -0.3116318E-17 Laplacian 0.9706629E-01 (-1/4)Del**2(Rho)) -0.2426657E-01 Diamond 0.1323298E-01 Metallicity 0.1546725E+01 Ellipticity -0.4996289E+01 Gb(Abramov) 0.2243334E-01 Vb(Abramov) -0.2060010E-01 Hb(Abramov) 0.1833236E-02 Ex_ueg -0.5482095E-02 Ec_ueg -0.1103245E-02 Delta_ex -0.6091436E-02 Delta_ec 0.1711256E-02 Delta_et -0.1513362E-01 Pxc 0.4969064E+01 Qxc -0.3559630E+01 3,+1 108 3 -1 1.979536 -0.786209 2.948173 Rho 0.1103520E+00 |GRAD(Rho)| 0.6357965E-15 GRAD(Rho)x -0.2710234E-15 GRAD(Rho)y -0.4994038E-15 GRAD(Rho)z 0.2852705E-15 Laplacian 0.4309421E+00 (-1/4)Del**2(Rho)) -0.1077355E+00 Diamond 0.6042555E+00 Metallicity 0.4059705E+01 Ellipticity 0.2808124E-01 Gb(Abramov) 0.1447194E+00 Vb(Abramov) -0.1817033E+00 Hb(Abramov) -0.3698389E-01 Ex_ueg -0.3909236E-01 Ec_ueg -0.5956295E-02 Delta_ex -0.4298814E-01 Delta_ec 0.1177389E-01 Delta_et -0.1490798E+00 Pxc 0.6563200E+01 Qxc -0.3651143E+01 3,-1 109 3 +1 1.686048 -0.546441 -0.532374 Rho 0.8253394E-02 |GRAD(Rho)| 0.6837313E-16 GRAD(Rho)x 0.4230526E-16 GRAD(Rho)y -0.5356310E-16 GRAD(Rho)z 0.4018026E-17 Laplacian 0.3219528E-01 (-1/4)Del**2(Rho)) -0.8048820E-02 Diamond 0.8278486E-03 Metallicity 0.7214538E+00 Ellipticity -0.1447742E+01 Gb(Abramov) 0.6333689E-02 Vb(Abramov) -0.4618557E-02 Hb(Abramov) 0.1715131E-02 Ex_ueg -0.1231861E-02 Ec_ueg -0.2894988E-03 Delta_ex -0.1461892E-02 Delta_ec 0.4642784E-03 Delta_et -0.3130645E-02 Pxc 0.4255152E+01 Qxc -0.3148739E+01 3,+1 110 3 -1 1.885599 -0.557096 -2.736249 Rho 0.1059222E+00 |GRAD(Rho)| 0.5868327E-16 GRAD(Rho)x -0.3266837E-16 GRAD(Rho)y -0.3930233E-16 GRAD(Rho)z -0.2884147E-16 Laplacian 0.4345580E+00 (-1/4)Del**2(Rho)) -0.1086395E+00 Diamond 0.5782254E+00 Metallicity 0.3760194E+01 Ellipticity 0.1214573E-01 Gb(Abramov) 0.1405106E+00 Vb(Abramov) -0.1723817E+00 Hb(Abramov) -0.3187111E-01 Ex_ueg -0.3701414E-01 Ec_ueg -0.5685173E-02 Delta_ex -0.4290531E-01 Delta_ec 0.1193329E-01 Delta_et -0.1498669E+00 Pxc 0.6510645E+01 Qxc -0.3595429E+01 3,-1 111 3 -1 1.674191 -0.443798 1.679994 Rho 0.4755043E-01 |GRAD(Rho)| 0.4316544E-13 GRAD(Rho)x 0.2955689E-13 GRAD(Rho)y 0.3112399E-13 GRAD(Rho)z -0.4576323E-14 Laplacian 0.1851124E+00 (-1/4)Del**2(Rho)) -0.4627811E-01 Diamond 0.8776380E-01 Metallicity 0.2323281E+01 Ellipticity 0.1067671E-01 Gb(Abramov) 0.4877158E-01 Vb(Abramov) -0.5126505E-01 Hb(Abramov) -0.2493471E-02 Ex_ueg -0.1272304E-01 Ec_ueg -0.2279925E-02 Delta_ex -0.1505141E-01 Delta_ec 0.5527501E-02 Delta_et -0.5752633E-01 Pxc 0.5580466E+01 Qxc -0.2723005E+01 3,-1 112 3 +1 1.668448 0.540614 0.464501 Rho 0.8858532E-02 |GRAD(Rho)| 0.4356751E-17 GRAD(Rho)x -0.1373113E-18 GRAD(Rho)y 0.1878690E-17 GRAD(Rho)z 0.3928480E-17 Laplacian 0.3496776E-01 (-1/4)Del**2(Rho)) -0.8741941E-02 Diamond 0.9463795E-03 Metallicity 0.7473917E+00 Ellipticity -0.1414038E+01 Gb(Abramov) 0.6916903E-02 Vb(Abramov) -0.5091865E-02 Hb(Abramov) 0.1825038E-02 Ex_ueg -0.1353736E-02 Ec_ueg -0.3165623E-03 Delta_ex -0.1597393E-02 Delta_ec 0.4704325E-03 Delta_et -0.3257345E-02 Pxc 0.4276366E+01 Qxc -0.3395584E+01 3,+1 113 3 -1 2.711360 1.839774 0.499905 Rho 0.1171613E+00 |GRAD(Rho)| 0.1091096E-14 GRAD(Rho)x -0.1234398E-15 GRAD(Rho)y 0.8320303E-15 GRAD(Rho)z -0.6949668E-15 Laplacian 0.4810323E+00 (-1/4)Del**2(Rho)) -0.1202581E+00 Diamond 0.7237176E+00 Metallicity 0.4018639E+01 Ellipticity 0.8405725E-02 Gb(Abramov) 0.1607177E+00 Vb(Abramov) -0.2011773E+00 Hb(Abramov) -0.4045961E-01 Ex_ueg -0.4234126E-01 Ec_ueg -0.6375867E-02 Delta_ex -0.4865366E-01 Delta_ec 0.1293409E-01 Delta_et -0.1655188E+00 Pxc 0.6640863E+01 Qxc -0.3761660E+01 3,-1 114 3 -1 2.934940 2.032266 -0.866886 Rho 0.1007309E+00 |GRAD(Rho)| 0.2164472E-15 GRAD(Rho)x 0.1665877E-15 GRAD(Rho)y -0.7032406E-16 GRAD(Rho)z -0.1189641E-15 Laplacian 0.3906226E+00 (-1/4)Del**2(Rho)) -0.9765566E-01 Diamond 0.4911832E+00 Metallicity 0.3847044E+01 Ellipticity 0.1374165E-01 Gb(Abramov) 0.1277180E+00 Vb(Abramov) -0.1577804E+00 Hb(Abramov) -0.3006239E-01 Ex_ueg -0.3461536E-01 Ec_ueg -0.5369350E-02 Delta_ex -0.3814999E-01 Delta_ec 0.1090736E-01 Delta_et -0.1357272E+00 Pxc 0.6446843E+01 Qxc -0.3497638E+01 3,-1 115 3 -1 1.772490 0.626770 2.722220 Rho 0.1567689E+00 |GRAD(Rho)| 0.2274311E-11 GRAD(Rho)x -0.4959701E-12 GRAD(Rho)y 0.1762709E-11 GRAD(Rho)z 0.1348837E-11 Laplacian 0.6595604E+00 (-1/4)Del**2(Rho)) -0.1648901E+00 Diamond 0.1392368E+01 Metallicity 0.4762026E+01 Ellipticity 0.2454424E-01 Gb(Abramov) 0.2407952E+00 Vb(Abramov) -0.3167004E+00 Hb(Abramov) -0.7590513E-01 Ex_ueg -0.6243071E-01 Ec_ueg -0.8878220E-02 Delta_ex -0.7144588E-01 Delta_ec 0.1626589E-01 Delta_et -0.2171271E+00 Pxc 0.7031895E+01 Qxc -0.4392375E+01 3,-1 116 3 -1 3.314568 -0.106978 -3.081348 Rho 0.2367279E+00 |GRAD(Rho)| 0.2066810E-12 GRAD(Rho)x -0.1387823E-12 GRAD(Rho)y 0.4262374E-13 GRAD(Rho)z 0.1471045E-12 Laplacian 0.8637682E+00 (-1/4)Del**2(Rho)) -0.2159420E+00 Diamond 0.3003665E+01 Metallicity 0.7227114E+01 Ellipticity 0.1050636E-02 Gb(Abramov) 0.4040677E+00 Vb(Abramov) -0.5921933E+00 Hb(Abramov) -0.1881256E+00 Ex_ueg -0.1081561E+00 Ec_ueg -0.1421321E-01 Delta_ex -0.1039811E+00 Delta_ec 0.1914754E-01 Delta_et -0.2650467E+00 Pxc 0.7609544E+01 Qxc -0.5430523E+01 3,-1 117 3 +1 2.910232 -0.235416 0.175233 Rho 0.5375036E-02 |GRAD(Rho)| 0.2157063E-17 GRAD(Rho)x -0.1560122E-18 GRAD(Rho)y -0.1106217E-17 GRAD(Rho)z -0.1845228E-17 Laplacian 0.2243725E-01 (-1/4)Del**2(Rho)) -0.5609314E-02 Diamond 0.5197100E-03 Metallicity 0.5065384E+00 Ellipticity -0.2045568E+01 Gb(Abramov) 0.4213098E-02 Vb(Abramov) -0.2816882E-02 Hb(Abramov) 0.1396216E-02 Ex_ueg -0.6953874E-03 Ec_ueg -0.1630876E-03 Delta_ex -0.1083282E-02 Delta_ec 0.6207658E-03 Delta_et -0.3479627E-02 Pxc 0.4263888E+01 Qxc -0.1745074E+01 3,+1 118 3 -1 3.152108 0.152956 3.108897 Rho 0.2359871E+00 |GRAD(Rho)| 0.3763841E-13 GRAD(Rho)x -0.2802879E-13 GRAD(Rho)y -0.4422352E-14 GRAD(Rho)z -0.2472810E-13 Laplacian 0.8650245E+00 (-1/4)Del**2(Rho)) -0.2162561E+00 Diamond 0.2994206E+01 Metallicity 0.7179019E+01 Ellipticity 0.4128359E-03 Gb(Abramov) 0.4029219E+00 Vb(Abramov) -0.5895876E+00 Hb(Abramov) -0.1866658E+00 Ex_ueg -0.1077050E+00 Ec_ueg -0.1416215E-01 Delta_ex -0.1040337E+00 Delta_ec 0.1916876E-01 Delta_et -0.2652039E+00 Pxc 0.7605132E+01 Qxc -0.5427251E+01 3,-1 119 3 +3 2.315620 -0.032068 -0.032915 Rho 0.4661384E-02 |GRAD(Rho)| 0.2253860E-15 GRAD(Rho)x -0.1380716E-15 GRAD(Rho)y -0.1273905E-15 GRAD(Rho)z -0.1245260E-15 Laplacian 0.1913554E-01 (-1/4)Del**2(Rho)) -0.4783884E-02 Diamond 0.1699062E-03 Metallicity 0.4684149E+00 Ellipticity -0.3318240E+00 Gb(Abramov) 0.3562730E-02 Vb(Abramov) -0.2341576E-02 Hb(Abramov) 0.1221154E-02 Ex_ueg -0.5750933E-03 Ec_ueg -0.1323700E-03 Delta_ex -0.6978598E-03 Delta_ec 0.1725950E-03 Delta_et -0.1092862E-02 Pxc 0.4344589E+01 Qxc -0.4043337E+01 3,+3 120 3 +1 2.919896 0.115948 -0.177478 Rho 0.5496381E-02 |GRAD(Rho)| 0.6437752E-17 GRAD(Rho)x -0.7586994E-18 GRAD(Rho)y -0.4841955E-17 GRAD(Rho)z -0.4174267E-17 Laplacian 0.2249442E-01 (-1/4)Del**2(Rho)) -0.5623606E-02 Diamond 0.6146195E-03 Metallicity 0.5244045E+00 Ellipticity -0.5055349E+01 Gb(Abramov) 0.4240578E-02 Vb(Abramov) -0.2857550E-02 Hb(Abramov) 0.1383028E-02 Ex_ueg -0.7163977E-03 Ec_ueg -0.1683363E-03 Delta_ex -0.1154585E-02 Delta_ec 0.7358724E-03 Delta_et -0.4100513E-02 Pxc 0.4255754E+01 Qxc -0.1569002E+01 3,+1 121 3 -1 2.922191 0.033792 -0.097122 Rho 0.5501244E-02 |GRAD(Rho)| 0.6504849E-17 GRAD(Rho)x -0.1092282E-17 GRAD(Rho)y 0.5171051E-17 GRAD(Rho)z 0.3792125E-17 Laplacian 0.2223043E-01 (-1/4)Del**2(Rho)) -0.5557607E-02 Diamond 0.6737059E-03 Metallicity 0.5314147E+00 Ellipticity 0.4562720E+01 Gb(Abramov) 0.4197303E-02 Vb(Abramov) -0.2837000E-02 Hb(Abramov) 0.1360303E-02 Ex_ueg -0.7172430E-03 Ec_ueg -0.1685468E-03 Delta_ex -0.1194839E-02 Delta_ec 0.8229509E-03 Delta_et -0.4550150E-02 Pxc 0.4255454E+01 Qxc -0.1451896E+01 3,-1 122 3 -1 3.068738 0.851610 -1.953174 Rho 0.1636298E+00 |GRAD(Rho)| 0.4675701E-15 GRAD(Rho)x -0.3469447E-17 GRAD(Rho)y 0.2967732E-15 GRAD(Rho)z 0.3612968E-15 Laplacian 0.6296944E+00 (-1/4)Del**2(Rho)) -0.1574236E+00 Diamond 0.1410070E+01 Metallicity 0.5356989E+01 Ellipticity 0.7504665E-01 Gb(Abramov) 0.2455018E+00 Vb(Abramov) -0.3335800E+00 Hb(Abramov) -0.8807820E-01 Ex_ueg -0.6610003E-01 Ec_ueg -0.9321652E-02 Delta_ex -0.6903529E-01 Delta_ec 0.1552784E-01 Delta_et -0.2088134E+00 Pxc 0.7091021E+01 Qxc -0.4445905E+01 3,-1 123 3 -1 -1.841628 0.564012 1.575951 Rho 0.3806084E-01 |GRAD(Rho)| 0.2470755E-12 GRAD(Rho)x -0.1944598E-12 GRAD(Rho)y -0.1504924E-12 GRAD(Rho)z 0.2416068E-13 Laplacian 0.1506961E+00 (-1/4)Del**2(Rho)) -0.3767402E-01 Diamond 0.5270402E-01 Metallicity 0.1969284E+01 Ellipticity 0.2835069E-01 Gb(Abramov) 0.3748116E-01 Vb(Abramov) -0.3728829E-01 Hb(Abramov) 0.1928640E-03 Ex_ueg -0.9455609E-02 Ec_ueg -0.1766417E-02 Delta_ex -0.1158778E-01 Delta_ec 0.4497205E-02 Delta_et -0.4409771E-01 Pxc 0.5352989E+01 Qxc -0.2576663E+01 3,-1 124 3 -1 -3.159577 -0.049881 -3.252828 Rho 0.2361257E+00 |GRAD(Rho)| 0.7163185E-15 GRAD(Rho)x -0.5490400E-15 GRAD(Rho)y 0.1474786E-15 GRAD(Rho)z -0.4357951E-15 Laplacian 0.8727989E+00 (-1/4)Del**2(Rho)) -0.2181997E+00 Diamond 0.3015263E+01 Metallicity 0.7122042E+01 Ellipticity 0.2824302E-02 Gb(Abramov) 0.4044711E+00 Vb(Abramov) -0.5907424E+00 Hb(Abramov) -0.1862713E+00 Ex_ueg -0.1077894E+00 Ec_ueg -0.1417171E-01 Delta_ex -0.1049413E+00 Delta_ec 0.1926009E-01 Delta_et -0.2661370E+00 Pxc 0.7605959E+01 Qxc -0.5448640E+01 3,-1 125 3 -1 -3.077949 3.162902 -0.092056 Rho 0.1523648E+00 |GRAD(Rho)| 0.2120842E-13 GRAD(Rho)x -0.1586001E-13 GRAD(Rho)y -0.7772510E-15 GRAD(Rho)z -0.1405891E-13 Laplacian 0.5820443E+00 (-1/4)Del**2(Rho)) -0.1455111E+00 Diamond 0.1226968E+01 Metallicity 0.5145939E+01 Ellipticity 0.1377360E+00 Gb(Abramov) 0.2218059E+00 Vb(Abramov) -0.2981008E+00 Hb(Abramov) -0.7629484E-01 Ex_ueg -0.6010322E-01 Ec_ueg -0.8595064E-02 Delta_ex -0.6299186E-01 Delta_ec 0.1514735E-01 Delta_et -0.2031071E+00 Pxc 0.6992760E+01 Qxc -0.4158606E+01 3,-1 126 3 -1 -1.940997 -3.037254 -0.942167 Rho 0.1564568E+00 |GRAD(Rho)| 0.3201495E-15 GRAD(Rho)x 0.1513682E-15 GRAD(Rho)y -0.7959399E-16 GRAD(Rho)z -0.2706440E-15 Laplacian 0.6019561E+00 (-1/4)Del**2(Rho)) -0.1504890E+00 Diamond 0.1281050E+01 Metallicity 0.5200427E+01 Ellipticity 0.6534358E-01 Gb(Abramov) 0.2307605E+00 Vb(Abramov) -0.3110320E+00 Hb(Abramov) -0.8027151E-01 Ex_ueg -0.6226503E-01 Ec_ueg -0.8858113E-02 Delta_ex -0.6529924E-01 Delta_ec 0.1507682E-01 Delta_et -0.2017626E+00 Pxc 0.7029153E+01 Qxc -0.4331101E+01 3,-1 127 3 -1 -1.754884 -2.805789 0.516695 Rho 0.1611017E+00 |GRAD(Rho)| 0.1007946E-15 GRAD(Rho)x -0.1862117E-16 GRAD(Rho)y -0.5473866E-16 GRAD(Rho)z 0.8256200E-16 Laplacian 0.6700237E+00 (-1/4)Del**2(Rho)) -0.1675059E+00 Diamond 0.1455057E+01 Metallicity 0.4905573E+01 Ellipticity 0.3179843E-01 Gb(Abramov) 0.2486227E+00 Vb(Abramov) -0.3297395E+00 Hb(Abramov) -0.8111678E-01 Ex_ueg -0.6474185E-01 Ec_ueg -0.9157927E-02 Delta_ex -0.7301409E-01 Delta_ec 0.1630475E-01 Delta_et -0.2181118E+00 Pxc 0.7069488E+01 Qxc -0.4478086E+01 3,-1 128 3 +1 -1.083093 -2.195245 -1.406106 Rho 0.2724169E-01 |GRAD(Rho)| 0.3706110E-16 GRAD(Rho)x 0.3698618E-16 GRAD(Rho)y 0.2222012E-17 GRAD(Rho)z -0.7813532E-18 Laplacian 0.1056494E+00 (-1/4)Del**2(Rho)) -0.2641236E-01 Diamond 0.1527919E-01 Metallicity 0.1608679E+01 Ellipticity -0.4042918E+01 Gb(Abramov) 0.2468974E-01 Vb(Abramov) -0.2296712E-01 Hb(Abramov) 0.1722619E-02 Ex_ueg -0.6053832E-02 Ec_ueg -0.1202229E-02 Delta_ex -0.6697242E-02 Delta_ec 0.1745555E-02 Delta_et -0.1574101E-01 Pxc 0.5035508E+01 Qxc -0.3836742E+01 3,+1 129 3 -1 -1.696923 2.731635 -0.653430 Rho 0.1887781E+00 |GRAD(Rho)| 0.3693580E-15 GRAD(Rho)x 0.2587720E-15 GRAD(Rho)y -0.1802486E-15 GRAD(Rho)z -0.1922833E-15 Laplacian 0.7824584E+00 (-1/4)Del**2(Rho)) -0.1956146E+00 Diamond 0.2037822E+01 Metallicity 0.5471056E+01 Ellipticity 0.2180397E-01 Gb(Abramov) 0.3087795E+00 Vb(Abramov) -0.4219444E+00 Hb(Abramov) -0.1131649E+00 Ex_ueg -0.7998106E-01 Ec_ueg -0.1097058E-01 Delta_ex -0.8860841E-01 Delta_ec 0.1802837E-01 Delta_et -0.2444175E+00 Pxc 0.7290507E+01 Qxc -0.4914944E+01 3,-1 130 3 +1 -0.151843 2.898212 0.149247 Rho 0.5587812E-02 |GRAD(Rho)| 0.6471153E-14 GRAD(Rho)x -0.4951173E-14 GRAD(Rho)y -0.2785928E-15 GRAD(Rho)z 0.4157413E-14 Laplacian 0.2348551E-01 (-1/4)Del**2(Rho)) -0.5871378E-02 Diamond 0.6239896E-03 Metallicity 0.5162770E+00 Ellipticity -0.3130491E+01 Gb(Abramov) 0.4419462E-02 Vb(Abramov) -0.2967545E-02 Hb(Abramov) 0.1451917E-02 Ex_ueg -0.7323310E-03 Ec_ueg -0.1722958E-03 Delta_ex -0.1183600E-02 Delta_ec 0.7223985E-03 Delta_et -0.4063076E-02 Pxc 0.4250429E+01 Qxc -0.1638431E+01 3,+1 131 3 -1 -0.929021 3.013115 2.006024 Rho 0.1634613E+00 |GRAD(Rho)| 0.2680842E-15 GRAD(Rho)x 0.2596122E-15 GRAD(Rho)y 0.6047138E-16 GRAD(Rho)z 0.2852807E-16 Laplacian 0.6301108E+00 (-1/4)Del**2(Rho)) -0.1575277E+00 Diamond 0.1412432E+01 Metallicity 0.5344261E+01 Ellipticity 0.6580548E-01 Gb(Abramov) 0.2453300E+00 Vb(Abramov) -0.3331323E+00 Hb(Abramov) -0.8780229E-01 Ex_ueg -0.6600926E-01 Ec_ueg -0.9310725E-02 Delta_ex -0.6909142E-01 Delta_ec 0.1559256E-01 Delta_et -0.2097897E+00 Pxc 0.7089594E+01 Qxc -0.4431052E+01 3,-1 132 3 -1 -0.465070 2.699265 -1.920176 Rho 0.7864418E-01 |GRAD(Rho)| 0.1256796E-15 GRAD(Rho)x 0.1090521E-15 GRAD(Rho)y -0.1028467E-16 GRAD(Rho)z 0.6162165E-16 Laplacian 0.3213082E+00 (-1/4)Del**2(Rho)) -0.8032705E-01 Diamond 0.3009061E+00 Metallicity 0.3096010E+01 Ellipticity 0.2136133E-01 Gb(Abramov) 0.9500026E-01 Vb(Abramov) -0.1096735E+00 Hb(Abramov) -0.1467321E-01 Ex_ueg -0.2488517E-01 Ec_ueg -0.4050729E-02 Delta_ex -0.2968350E-01 Delta_ec 0.9515043E-02 Delta_et -0.1123840E+00 Pxc 0.6143380E+01 Qxc -0.3119639E+01 3,-1 133 3 +3 0.050385 2.345865 -0.069669 Rho 0.4843205E-02 |GRAD(Rho)| 0.1589571E-14 GRAD(Rho)x 0.3470952E-15 GRAD(Rho)y -0.1491801E-14 GRAD(Rho)z -0.4251953E-15 Laplacian 0.2046118E-01 (-1/4)Del**2(Rho)) -0.5115296E-02 Diamond 0.1990897E-03 Metallicity 0.4669143E+00 Ellipticity -0.3077420E+00 Gb(Abramov) 0.3808265E-02 Vb(Abramov) -0.2501234E-02 Hb(Abramov) 0.1307031E-02 Ex_ueg -0.6051953E-03 Ec_ueg -0.1401715E-03 Delta_ex -0.7610635E-03 Delta_ec 0.1979055E-03 Delta_et -0.1245647E-02 Pxc 0.4317534E+01 Qxc -0.3845589E+01 3,+3 134 3 -1 -0.953428 1.969042 3.003812 Rho 0.1618310E+00 |GRAD(Rho)| 0.2293603E-15 GRAD(Rho)x 0.1690542E-15 GRAD(Rho)y -0.9910963E-16 GRAD(Rho)z 0.1191809E-15 Laplacian 0.6291354E+00 (-1/4)Del**2(Rho)) -0.1572839E+00 Diamond 0.1387224E+01 Metallicity 0.5263873E+01 Ellipticity 0.6902342E-01 Gb(Abramov) 0.2428429E+00 Vb(Abramov) -0.3284020E+00 Hb(Abramov) -0.8555908E-01 Ex_ueg -0.6513296E-01 Ec_ueg -0.9205123E-02 Delta_ex -0.6875746E-01 Delta_ec 0.1550946E-01 Delta_et -0.2081579E+00 Pxc 0.7075730E+01 Qxc -0.4433259E+01 3,-1 135 3 +1 0.473612 1.707518 0.467769 Rho 0.8362143E-02 |GRAD(Rho)| 0.8017916E-17 GRAD(Rho)x -0.5262527E-17 GRAD(Rho)y -0.4353246E-17 GRAD(Rho)z 0.4200243E-17 Laplacian 0.3273363E-01 (-1/4)Del**2(Rho)) -0.8183407E-02 Diamond 0.8501803E-03 Metallicity 0.7252398E+00 Ellipticity -0.1440970E+01 Gb(Abramov) 0.6444760E-02 Vb(Abramov) -0.4706113E-02 Hb(Abramov) 0.1738647E-02 Ex_ueg -0.1253551E-02 Ec_ueg -0.2943503E-03 Delta_ex -0.1488123E-02 Delta_ec 0.4664888E-03 Delta_et -0.3160686E-02 Pxc 0.4258703E+01 Qxc -0.3190051E+01 3,+1 136 3 -1 -1.918751 2.948372 0.775260 Rho 0.1024108E+00 |GRAD(Rho)| 0.1282852E-13 GRAD(Rho)x -0.6733915E-14 GRAD(Rho)y -0.2035830E-14 GRAD(Rho)z -0.1072757E-13 Laplacian 0.4034307E+00 (-1/4)Del**2(Rho)) -0.1008577E+00 Diamond 0.5141228E+00 Metallicity 0.3829016E+01 Ellipticity 0.2977171E-01 Gb(Abramov) 0.1316027E+00 Vb(Abramov) -0.1623478E+00 Hb(Abramov) -0.3074506E-01 Ex_ueg -0.3538720E-01 Ec_ueg -0.5471321E-02 Delta_ex -0.3949702E-01 Delta_ec 0.1112367E-01 Delta_et -0.1387437E+00 Pxc 0.6467761E+01 Qxc -0.3550719E+01 3,-1 137 3 +3 0.050309 -2.337669 0.011861 Rho 0.4532699E-02 |GRAD(Rho)| 0.5895253E-17 GRAD(Rho)x 0.2669881E-17 GRAD(Rho)y 0.4923716E-17 GRAD(Rho)z -0.1839228E-17 Laplacian 0.1858405E-01 (-1/4)Del**2(Rho)) -0.4646011E-02 Diamond 0.1623597E-03 Metallicity 0.4603284E+00 Ellipticity -0.4182925E+00 Gb(Abramov) 0.3453789E-02 Vb(Abramov) -0.2261567E-02 Hb(Abramov) 0.1192222E-02 Ex_ueg -0.5540227E-03 Ec_ueg -0.1268587E-03 Delta_ex -0.6766090E-03 Delta_ec 0.1742433E-03 Delta_et -0.1086531E-02 Pxc 0.4367243E+01 Qxc -0.3883128E+01 3,+3 138 3 -1 0.186396 -3.167143 -3.198228 Rho 0.2357885E+00 |GRAD(Rho)| 0.2341962E-15 GRAD(Rho)x 0.9330915E-16 GRAD(Rho)y -0.1904401E-15 GRAD(Rho)z -0.9936713E-16 Laplacian 0.8617789E+00 (-1/4)Del**2(Rho)) -0.2154447E+00 Diamond 0.2981199E+01 Metallicity 0.7195954E+01 Ellipticity 0.1278381E-02 Gb(Abramov) 0.4020182E+00 Vb(Abramov) -0.5885917E+00 Hb(Abramov) -0.1865735E+00 Ex_ueg -0.1075842E+00 Ec_ueg -0.1414847E-01 Delta_ex -0.1036274E+00 Delta_ec 0.1911371E-01 Delta_et -0.2644862E+00 Pxc 0.7603947E+01 Qxc -0.5421628E+01 3,-1 139 3 -1 0.637008 -2.792008 -1.808472 Rho 0.1627918E+00 |GRAD(Rho)| 0.5052821E-15 GRAD(Rho)x -0.2901325E-15 GRAD(Rho)y 0.1565588E-15 GRAD(Rho)z -0.3829131E-15 Laplacian 0.6786555E+00 (-1/4)Del**2(Rho)) -0.1696639E+00 Diamond 0.1497672E+01 Metallicity 0.4928156E+01 Ellipticity 0.2488225E-01 Gb(Abramov) 0.2524643E+00 Vb(Abramov) -0.3352647E+00 Hb(Abramov) -0.8280039E-01 Ex_ueg -0.6564902E-01 Ec_ueg -0.9267337E-02 Delta_ex -0.7419466E-01 Delta_ec 0.1655476E-01 Delta_et -0.2219550E+00 Pxc 0.7083915E+01 Qxc -0.4481771E+01 3,-1 140 3 -1 0.895844 2.905744 -2.131905 Rho 0.1230316E+00 |GRAD(Rho)| 0.1918585E-14 GRAD(Rho)x -0.1077954E-14 GRAD(Rho)y -0.7853012E-15 GRAD(Rho)z -0.1379234E-14 Laplacian 0.4713936E+00 (-1/4)Del**2(Rho)) -0.1178484E+00 Diamond 0.7561743E+00 Metallicity 0.4448947E+01 Ellipticity 0.3179651E-01 Gb(Abramov) 0.1659492E+00 Vb(Abramov) -0.2140499E+00 Hb(Abramov) -0.4810076E-01 Ex_ueg -0.4519329E-01 Ec_ueg -0.6740225E-02 Delta_ex -0.4829022E-01 Delta_ec 0.1262395E-01 Delta_et -0.1630884E+00 Pxc 0.6705012E+01 Qxc -0.3825286E+01 3,-1 141 3 -1 0.460467 2.773932 1.830895 Rho 0.1000312E+00 |GRAD(Rho)| 0.1201192E-12 GRAD(Rho)x 0.1155010E-12 GRAD(Rho)y -0.3259269E-13 GRAD(Rho)z 0.5085047E-14 Laplacian 0.4137447E+00 (-1/4)Del**2(Rho)) -0.1034362E+00 Diamond 0.5154137E+00 Metallicity 0.3590102E+01 Ellipticity 0.1616646E-01 Gb(Abramov) 0.1308485E+00 Vb(Abramov) -0.1582608E+00 Hb(Abramov) -0.2741233E-01 Ex_ueg -0.3429513E-01 Ec_ueg -0.5326944E-02 Delta_ex -0.4033433E-01 Delta_ec 0.1155587E-01 Delta_et -0.1435801E+00 Pxc 0.6438051E+01 Qxc -0.3490375E+01 3,-1 142 3 +1 -0.525763 -1.675883 0.486944 Rho 0.8595840E-02 |GRAD(Rho)| 0.3254728E-12 GRAD(Rho)x -0.2569626E-12 GRAD(Rho)y -0.1991500E-12 GRAD(Rho)z -0.1555751E-13 Laplacian 0.3396086E-01 (-1/4)Del**2(Rho)) -0.8490216E-02 Diamond 0.9066798E-03 Metallicity 0.7318941E+00 Ellipticity -0.1430853E+01 Gb(Abramov) 0.6695801E-02 Vb(Abramov) -0.4901385E-02 Hb(Abramov) 0.1794416E-02 Ex_ueg -0.1300477E-02 Ec_ueg -0.3047940E-03 Delta_ex -0.1550572E-02 Delta_ec 0.4766309E-03 Delta_et -0.3258365E-02 Pxc 0.4266742E+01 Qxc -0.3253193E+01 3,+1 143 3 -1 1.787551 0.510254 -1.698596 Rho 0.4562055E-01 |GRAD(Rho)| 0.1369250E-14 GRAD(Rho)x 0.1012645E-14 GRAD(Rho)y -0.4778672E-15 GRAD(Rho)z -0.7880604E-15 Laplacian 0.1788796E+00 (-1/4)Del**2(Rho)) -0.4471989E-01 Diamond 0.7999748E-01 Metallicity 0.2243813E+01 Ellipticity 0.2259950E-01 Gb(Abramov) 0.4653711E-01 Vb(Abramov) -0.4835432E-01 Hb(Abramov) -0.1817214E-02 Ex_ueg -0.1203924E-01 Ec_ueg -0.2174264E-02 Delta_ex -0.1438641E-01 Delta_ec 0.5328523E-02 Delta_et -0.5484898E-01 Pxc 0.5537158E+01 Qxc -0.2699886E+01 3,-1 144 3 +1 1.424453 1.061049 -2.247850 Rho 0.2507539E-01 |GRAD(Rho)| 0.3916441E-14 GRAD(Rho)x 0.2806126E-14 GRAD(Rho)y -0.1130047E-14 GRAD(Rho)z -0.2487400E-14 Laplacian 0.9253911E-01 (-1/4)Del**2(Rho)) -0.2313478E-01 Diamond 0.1068202E-01 Metallicity 0.1599683E+01 Ellipticity -0.2636940E+01 Gb(Abramov) 0.2159124E-01 Vb(Abramov) -0.2004770E-01 Hb(Abramov) 0.1543539E-02 Ex_ueg -0.5420616E-02 Ec_ueg -0.1092511E-02 Delta_ex -0.5600906E-02 Delta_ec 0.1286160E-02 Delta_et -0.1142683E-01 Pxc 0.4961614E+01 Qxc -0.4354752E+01 3,+1 145 3 +1 1.737951 1.751392 1.702319 Rho 0.1192969E-01 |GRAD(Rho)| 0.5380700E-16 GRAD(Rho)x -0.2354331E-16 GRAD(Rho)y 0.4361595E-16 GRAD(Rho)z -0.2094169E-16 Laplacian 0.5876381E-01 (-1/4)Del**2(Rho)) -0.1469095E-01 Diamond 0.2344981E-02 Metallicity 0.7303854E+00 Ellipticity -0.1278588E+01 Gb(Abramov) 0.1158231E-01 Vb(Abramov) -0.8473670E-02 Hb(Abramov) 0.3108642E-02 Ex_ueg -0.2013218E-02 Ec_ueg -0.4563244E-03 Delta_ex -0.2886708E-02 Delta_ec 0.7675394E-03 Delta_et -0.5743310E-02 Pxc 0.4411813E+01 Qxc -0.3760990E+01 3,+1 146 3 -1 2.105444 0.798183 -3.000885 Rho 0.9632097E-01 |GRAD(Rho)| 0.4435163E-15 GRAD(Rho)x 0.1131365E-15 GRAD(Rho)y -0.3647019E-15 GRAD(Rho)z 0.2256089E-15 Laplacian 0.3775809E+00 (-1/4)Del**2(Rho)) -0.9439522E-01 Diamond 0.4487691E+00 Metallicity 0.3693782E+01 Ellipticity 0.1306166E-01 Gb(Abramov) 0.1210427E+00 Vb(Abramov) -0.1476902E+00 Hb(Abramov) -0.2664749E-01 Ex_ueg -0.3260965E-01 Ec_ueg -0.5102733E-02 Delta_ex -0.3647608E-01 Delta_ec 0.1061355E-01 Delta_et -0.1308506E+00 Pxc 0.6390625E+01 Qxc -0.3436745E+01 3,-1 147 3 -1 2.982808 -2.019855 0.926701 Rho 0.1600276E+00 |GRAD(Rho)| 0.1810773E-15 GRAD(Rho)x 0.1516799E-15 GRAD(Rho)y 0.7747980E-16 GRAD(Rho)z 0.6147426E-16 Laplacian 0.6208970E+00 (-1/4)Del**2(Rho)) -0.1552243E+00 Diamond 0.1357199E+01 Metallicity 0.5235023E+01 Ellipticity 0.6118066E-01 Gb(Abramov) 0.2389166E+00 Vb(Abramov) -0.3226090E+00 Hb(Abramov) -0.8369235E-01 Ex_ueg -0.6416700E-01 Ec_ueg -0.9088488E-02 Delta_ex -0.6772720E-01 Delta_ec 0.1545526E-01 Delta_et -0.2074111E+00 Pxc 0.7060251E+01 Qxc -0.4382147E+01 3,-1 148 3 -1 2.766220 -1.870024 -0.477775 Rho 0.1061165E+00 |GRAD(Rho)| 0.2205810E-15 GRAD(Rho)x 0.5291076E-16 GRAD(Rho)y 0.1039208E-15 GRAD(Rho)z -0.1872349E-15 Laplacian 0.4473375E+00 (-1/4)Del**2(Rho)) -0.1118344E+00 Diamond 0.5992997E+00 Metallicity 0.3663950E+01 Ellipticity 0.1130156E-01 Gb(Abramov) 0.1428488E+00 Vb(Abramov) -0.1738633E+00 Hb(Abramov) -0.3101447E-01 Ex_ueg -0.3710471E-01 Ec_ueg -0.5697035E-02 Delta_ex -0.4422959E-01 Delta_ec 0.1235686E-01 Delta_et -0.1553458E+00 Pxc 0.6512986E+01 Qxc -0.3579356E+01 3,-1 149 3 -1 -3.974769 4.118111 0.433661 Rho 0.3303729E+00 |GRAD(Rho)| 0.5227542E-15 GRAD(Rho)x 0.4422992E-15 GRAD(Rho)y -0.3549957E-16 GRAD(Rho)z 0.2763750E-15 Laplacian -0.1772267E+01 (-1/4)Del**2(Rho)) 0.4430669E+00 Diamond 0.6338383E+01 Metallicity -0.6138910E+01 Ellipticity 0.1997440E-03 Gb(Abramov) 0.1579467E+00 Vb(Abramov) -0.7589603E+00 Hb(Abramov) -0.6010136E+00 Ex_ueg -0.1686777E+00 Ec_ueg -0.2091082E-01 Delta_ex 0.1790473E+00 Delta_ec 0.6123215E-01 Delta_et -0.1474907E+01 Pxc 0.8066525E+01 Qxc 0.2924073E+01 3,-1 150 3 -1 -3.099343 -3.245013 -0.012952 Rho 0.2363705E+00 |GRAD(Rho)| 0.3562806E-15 GRAD(Rho)x 0.1116728E-15 GRAD(Rho)y 0.3201107E-15 GRAD(Rho)z -0.1095180E-15 Laplacian 0.8658167E+00 (-1/4)Del**2(Rho)) -0.2164542E+00 Diamond 0.3004482E+01 Metallicity 0.7191884E+01 Ellipticity 0.3956886E-02 Gb(Abramov) 0.4037550E+00 Vb(Abramov) -0.5910558E+00 Hb(Abramov) -0.1873008E+00 Ex_ueg -0.1079384E+00 Ec_ueg -0.1418858E-01 Delta_ex -0.1041821E+00 Delta_ec 0.1919337E-01 Delta_et -0.2656309E+00 Pxc 0.7607417E+01 Qxc -0.5428028E+01 3,-1 151 3 -1 -0.445589 -1.722299 -1.756633 Rho 0.4759042E-01 |GRAD(Rho)| 0.6178966E-12 GRAD(Rho)x -0.5819711E-12 GRAD(Rho)y -0.1563548E-12 GRAD(Rho)z -0.1365980E-12 Laplacian 0.1847241E+00 (-1/4)Del**2(Rho)) -0.4618102E-01 Diamond 0.8748933E-01 Metallicity 0.2331429E+01 Ellipticity 0.1514775E-01 Gb(Abramov) 0.4873197E-01 Vb(Abramov) -0.5128293E-01 Hb(Abramov) -0.2550955E-02 Ex_ueg -0.1273731E-01 Ec_ueg -0.2282120E-02 Delta_ex -0.1501423E-01 Delta_ec 0.5500216E-02 Delta_et -0.5725123E-01 Pxc 0.5581349E+01 Qxc -0.2729754E+01 3,-1 152 3 -1 -1.788209 0.450203 -2.824052 Rho 0.1131506E+00 |GRAD(Rho)| 0.1021611E-15 GRAD(Rho)x -0.5149283E-16 GRAD(Rho)y 0.5132342E-16 GRAD(Rho)z 0.7177249E-16 Laplacian 0.4742237E+00 (-1/4)Del**2(Rho)) -0.1185559E+00 Diamond 0.6844973E+00 Metallicity 0.3846431E+01 Ellipticity 0.1233563E-01 Gb(Abramov) 0.1550402E+00 Vb(Abramov) -0.1915244E+00 Hb(Abramov) -0.3648422E-01 Ex_ueg -0.4041980E-01 Ec_ueg -0.6128333E-02 Delta_ex -0.4757472E-01 Delta_ec 0.1286183E-01 Delta_et -0.1635780E+00 Pxc 0.6595562E+01 Qxc -0.3698908E+01 3,-1 153 3 -1 -0.430474 0.418260 0.281792 Rho 0.1309342E+00 |GRAD(Rho)| 0.1199066E-13 GRAD(Rho)x 0.9349691E-14 GRAD(Rho)y -0.5572073E-14 GRAD(Rho)z -0.5031025E-14 Laplacian 0.6661046E+00 (-1/4)Del**2(Rho)) -0.1665262E+00 Diamond 0.1382234E+01 Metallicity 0.3492684E+01 Ellipticity 0.1841624E-01 Gb(Abramov) 0.2079546E+00 Vb(Abramov) -0.2493831E+00 Hb(Abramov) -0.4142848E-01 Ex_ueg -0.4910464E-01 Ec_ueg -0.7234443E-02 Delta_ex -0.7201860E-01 Delta_ec 0.2249603E-01 Delta_et -0.3028765E+00 Pxc 0.6787619E+01 Qxc -0.3201391E+01 3,-1 154 3 -1 0.060367 0.025283 -2.933153 Rho 0.5660074E-02 |GRAD(Rho)| 0.7370200E-17 GRAD(Rho)x -0.4299187E-17 GRAD(Rho)y 0.5180158E-17 GRAD(Rho)z 0.3000468E-17 Laplacian 0.2272467E-01 (-1/4)Del**2(Rho)) -0.5681168E-02 Diamond 0.7119810E-03 Metallicity 0.5451119E+00 Ellipticity 0.2759641E+01 Gb(Abramov) 0.4303591E-02 Vb(Abramov) -0.2926014E-02 Hb(Abramov) 0.1377577E-02 Ex_ueg -0.7449855E-03 Ec_ueg -0.1754281E-03 Delta_ex -0.1225050E-02 Delta_ec 0.8362537E-03 Delta_et -0.4665620E-02 Pxc 0.4246671E+01 Qxc -0.1464927E+01 3,-1 155 3 +3 0.022674 -0.017130 -2.377958 Rho 0.4975507E-02 |GRAD(Rho)| 0.2718237E-17 GRAD(Rho)x 0.1813754E-17 GRAD(Rho)y -0.2020522E-17 GRAD(Rho)z 0.1288330E-18 Laplacian 0.2056567E-01 (-1/4)Del**2(Rho)) -0.5141418E-02 Diamond 0.2057003E-03 Metallicity 0.4858839E+00 Ellipticity -0.2923131E+00 Gb(Abramov) 0.3843967E-02 Vb(Abramov) -0.2546517E-02 Hb(Abramov) 0.1297451E-02 Ex_ueg -0.6273379E-03 Ec_ueg -0.1458589E-03 Delta_ex -0.7684887E-03 Delta_ec 0.1958025E-03 Delta_et -0.1244564E-02 Pxc 0.4300991E+01 Qxc -0.3924816E+01 3,+3 156 3 -1 -0.498388 1.711044 -2.864971 Rho 0.1508917E+00 |GRAD(Rho)| 0.1272507E-13 GRAD(Rho)x 0.9197179E-14 GRAD(Rho)y 0.2291272E-14 GRAD(Rho)z -0.8490546E-14 Laplacian 0.6316079E+00 (-1/4)Del**2(Rho)) -0.1579020E+00 Diamond 0.1269267E+01 Metallicity 0.4665961E+01 Ellipticity 0.2292862E-01 Gb(Abramov) 0.2280621E+00 Vb(Abramov) -0.2982222E+00 Hb(Abramov) -0.7016009E-01 Ex_ueg -0.5932970E-01 Ec_ueg -0.8500619E-02 Delta_ex -0.6773168E-01 Delta_ec 0.1565183E-01 Delta_et -0.2077139E+00 Pxc 0.6979456E+01 Qxc -0.4327397E+01 3,-1 157 3 -1 0.466941 1.825151 2.772267 Rho 0.1117096E+00 |GRAD(Rho)| 0.2893545E-15 GRAD(Rho)x -0.2710505E-15 GRAD(Rho)y -0.5861468E-17 GRAD(Rho)z -0.1011103E-15 Laplacian 0.4682112E+00 (-1/4)Del**2(Rho)) -0.1170528E+00 Diamond 0.6653507E+00 Metallicity 0.3813486E+01 Ellipticity 0.1534067E-01 Gb(Abramov) 0.1524317E+00 Vb(Abramov) -0.1878107E+00 Hb(Abramov) -0.3537893E-01 Ex_ueg -0.3973492E-01 Ec_ueg -0.6039679E-02 Delta_ex -0.4682759E-01 Delta_ec 0.1273286E-01 Delta_et -0.1615531E+00 Pxc 0.6578978E+01 Qxc -0.3677697E+01 3,-1 158 3 -1 0.795686 -2.926487 2.036208 Rho 0.1065376E+00 |GRAD(Rho)| 0.2811792E-13 GRAD(Rho)x 0.1477612E-13 GRAD(Rho)y 0.6804361E-14 GRAD(Rho)z -0.2293436E-13 Laplacian 0.4170108E+00 (-1/4)Del**2(Rho)) -0.1042527E+00 Diamond 0.5606438E+00 Metallicity 0.3956436E+01 Ellipticity 0.1891357E-01 Gb(Abramov) 0.1382467E+00 Vb(Abramov) -0.1722406E+00 Hb(Abramov) -0.3399396E-01 Ex_ueg -0.3730117E-01 Ec_ueg -0.5722752E-02 Delta_ex -0.4125843E-01 Delta_ec 0.1148927E-01 Delta_et -0.1445217E+00 Pxc 0.6518047E+01 Qxc -0.3591040E+01 3,-1 159 3 -1 1.943847 -3.025254 0.934615 Rho 0.1622154E+00 |GRAD(Rho)| 0.2153159E-12 GRAD(Rho)x 0.1455892E-12 GRAD(Rho)y 0.6841123E-13 GRAD(Rho)z -0.1431246E-12 Laplacian 0.6306436E+00 (-1/4)Del**2(Rho)) -0.1576609E+00 Diamond 0.1398847E+01 Metallicity 0.5272088E+01 Ellipticity 0.6885637E-01 Gb(Abramov) 0.2436409E+00 Vb(Abramov) -0.3296210E+00 Hb(Abramov) -0.8598004E-01 Ex_ueg -0.6533930E-01 Ec_ueg -0.9230006E-02 Delta_ex -0.6900183E-01 Delta_ec 0.1560660E-01 Delta_et -0.2097035E+00 Pxc 0.7079009E+01 Qxc -0.4421323E+01 3,-1 160 3 -1 1.807095 -2.818537 -0.488570 Rho 0.1067110E+00 |GRAD(Rho)| 0.6582179E-15 GRAD(Rho)x -0.5384148E-15 GRAD(Rho)y 0.3530738E-15 GRAD(Rho)z 0.1367450E-15 Laplacian 0.4462720E+00 (-1/4)Del**2(Rho)) -0.1115680E+00 Diamond 0.6015729E+00 Metallicity 0.3707051E+01 Ellipticity 0.1094882E-01 Gb(Abramov) 0.1433101E+00 Vb(Abramov) -0.1750521E+00 Hb(Abramov) -0.3174205E-01 Ex_ueg -0.3738211E-01 Ec_ueg -0.5733341E-02 Delta_ex -0.4417682E-01 Delta_ec 0.1230253E-01 Delta_et -0.1548154E+00 Pxc 0.6520126E+01 Qxc -0.3590872E+01 3,-1 161 3 -1 1.922126 3.014135 -0.921555 Rho 0.1454170E+00 |GRAD(Rho)| 0.2033522E-11 GRAD(Rho)x -0.9812235E-12 GRAD(Rho)y 0.7923413E-12 GRAD(Rho)z -0.1595183E-11 Laplacian 0.5611554E+00 (-1/4)Del**2(Rho)) -0.1402888E+00 Diamond 0.1095862E+01 Metallicity 0.4938047E+01 Ellipticity 0.6354722E-01 Gb(Abramov) 0.2089847E+00 Vb(Abramov) -0.2776806E+00 Hb(Abramov) -0.6869587E-01 Ex_ueg -0.5647703E-01 Ec_ueg -0.8150783E-02 Delta_ex -0.5980877E-01 Delta_ec 0.1435274E-01 Delta_et -0.1902363E+00 Pxc 0.6929032E+01 Qxc -0.4167062E+01 3,-1 162 3 -1 2.841646 -0.612164 -1.747092 Rho 0.1612978E+00 |GRAD(Rho)| 0.3570071E-15 GRAD(Rho)x 0.3209238E-16 GRAD(Rho)y 0.2601272E-15 GRAD(Rho)z -0.2424005E-15 Laplacian 0.6748151E+00 (-1/4)Del**2(Rho)) -0.1687038E+00 Diamond 0.1469038E+01 Metallicity 0.4880629E+01 Ellipticity 0.2927781E-01 Gb(Abramov) 0.2496993E+00 Vb(Abramov) -0.3306948E+00 Hb(Abramov) -0.8099549E-01 Ex_ueg -0.6484696E-01 Ec_ueg -0.9170615E-02 Delta_ex -0.7357147E-01 Delta_ec 0.1643935E-01 Delta_et -0.2200050E+00 Pxc 0.7071168E+01 Qxc -0.4475328E+01 3,-1 163 3 -1 2.961983 -0.805153 1.961709 Rho 0.1094226E+00 |GRAD(Rho)| 0.2377317E-15 GRAD(Rho)x 0.1728523E-15 GRAD(Rho)y -0.4566524E-16 GRAD(Rho)z -0.1566943E-15 Laplacian 0.4320392E+00 (-1/4)Del**2(Rho)) -0.1080098E+00 Diamond 0.6001317E+00 Metallicity 0.3992715E+01 Ellipticity 0.2316134E-01 Gb(Abramov) 0.1438819E+00 Vb(Abramov) -0.1797541E+00 Hb(Abramov) -0.3587212E-01 Ex_ueg -0.3865399E-01 Ec_ueg -0.5899291E-02 Delta_ex -0.4301899E-01 Delta_ec 0.1183945E-01 Delta_et -0.1496917E+00 Pxc 0.6552312E+01 Qxc -0.3633530E+01 3,-1 164 3 -1 0.367815 -0.368893 0.350552 Rho 0.1428871E+00 |GRAD(Rho)| 0.4961499E-13 GRAD(Rho)x 0.2988782E-13 GRAD(Rho)y -0.2518969E-13 GRAD(Rho)z 0.3055887E-13 Laplacian 0.7676386E+00 (-1/4)Del**2(Rho)) -0.1919096E+00 Diamond 0.1769590E+01 Metallicity 0.3505727E+01 Ellipticity 0.5724775E-02 Gb(Abramov) 0.2400702E+00 Vb(Abramov) -0.2882308E+00 Hb(Abramov) -0.4816058E-01 Ex_ueg -0.5517077E-01 Ec_ueg -0.7989752E-02 Delta_ex -0.8467288E-01 Delta_ec 0.2544486E-01 Delta_et -0.3486880E+00 Pxc 0.6905192E+01 Qxc -0.3327701E+01 3,-1 165 3 -1 1.656330 1.751714 -0.564893 Rho 0.4831906E-01 |GRAD(Rho)| 0.1881399E-13 GRAD(Rho)x -0.6711336E-14 GRAD(Rho)y -0.4453173E-14 GRAD(Rho)z -0.1700275E-13 Laplacian 0.1899419E+00 (-1/4)Del**2(Rho)) -0.4748547E-01 Diamond 0.9192264E-01 Metallicity 0.2325537E+01 Ellipticity 0.1353146E-01 Gb(Abramov) 0.5006185E-01 Vb(Abramov) -0.5263823E-01 Hb(Abramov) -0.2576380E-02 Ex_ueg -0.1299800E-01 Ec_ueg -0.2322171E-02 Delta_ex -0.1550115E-01 Delta_ec 0.5661741E-02 Delta_et -0.5917000E-01 Pxc 0.5597347E+01 Qxc -0.2737877E+01 3,-1 166 3 -1 -3.086600 0.902590 1.916734 Rho 0.1646173E+00 |GRAD(Rho)| 0.2752122E-15 GRAD(Rho)x -0.1719680E-15 GRAD(Rho)y 0.2109586E-15 GRAD(Rho)z -0.4080666E-16 Laplacian 0.6317601E+00 (-1/4)Del**2(Rho)) -0.1579400E+00 Diamond 0.1426135E+01 Metallicity 0.5393286E+01 Ellipticity 0.7066555E-01 Gb(Abramov) 0.2472627E+00 Vb(Abramov) -0.3365853E+00 Hb(Abramov) -0.8932262E-01 Ex_ueg -0.6663244E-01 Ec_ueg -0.9385707E-02 Delta_ex -0.6937602E-01 Delta_ec 0.1557333E-01 Delta_et -0.2096271E+00 Pxc 0.7099353E+01 Qxc -0.4454797E+01 3,-1 167 3 +1 -2.211752 1.080288 1.299468 Rho 0.2792335E-01 |GRAD(Rho)| 0.2418326E-15 GRAD(Rho)x 0.2289020E-15 GRAD(Rho)y -0.3621446E-16 GRAD(Rho)z -0.6910437E-16 Laplacian 0.1089947E+00 (-1/4)Del**2(Rho)) -0.2724868E-01 Diamond 0.1478838E-01 Metallicity 0.1624876E+01 Ellipticity -0.2708119E+01 Gb(Abramov) 0.2554507E-01 Vb(Abramov) -0.2384147E-01 Hb(Abramov) 0.1703606E-02 Ex_ueg -0.6256647E-02 Ec_ueg -0.1236997E-02 Delta_ex -0.6813003E-02 Delta_ec 0.1546348E-02 Delta_et -0.1406583E-01 Pxc 0.5057932E+01 Qxc -0.4405866E+01 3,+1 168 3 -1 -2.924144 1.982423 0.767813 Rho 0.9918929E-01 |GRAD(Rho)| 0.3114248E-15 GRAD(Rho)x 0.2597139E-15 GRAD(Rho)y 0.1297773E-15 GRAD(Rho)z -0.1126588E-15 Laplacian 0.3906358E+00 (-1/4)Del**2(Rho)) -0.9765894E-01 Diamond 0.4780309E+00 Metallicity 0.3749291E+01 Ellipticity 0.3107338E-01 Gb(Abramov) 0.1261313E+00 Vb(Abramov) -0.1546036E+00 Hb(Abramov) -0.2847231E-01 Ex_ueg -0.3391080E-01 Ec_ueg -0.5275968E-02 Delta_ex -0.3794348E-01 Delta_ec 0.1081782E-01 Delta_et -0.1340478E+00 Pxc 0.6427409E+01 Qxc -0.3507497E+01 3,-1 169 3 -1 -1.918471 -0.519767 2.688645 Rho 0.1060149E+00 |GRAD(Rho)| 0.2148394E-11 GRAD(Rho)x -0.7020903E-12 GRAD(Rho)y 0.1700634E-11 GRAD(Rho)z -0.1109284E-11 Laplacian 0.4428858E+00 (-1/4)Del**2(Rho)) -0.1107214E+00 Diamond 0.5929212E+00 Metallicity 0.3694876E+01 Ellipticity 0.1944197E-01 Gb(Abramov) 0.1419980E+00 Vb(Abramov) -0.1732745E+00 Hb(Abramov) -0.3127651E-01 Ex_ueg -0.3705736E-01 Ec_ueg -0.5690834E-02 Delta_ex -0.4378388E-01 Delta_ec 0.1224414E-01 Delta_et -0.1539107E+00 Pxc 0.6511762E+01 Qxc -0.3575905E+01 3,-1 170 3 -1 -2.752066 0.468000 -1.875436 Rho 0.7974906E-01 |GRAD(Rho)| 0.4294640E-16 GRAD(Rho)x -0.1395910E-16 GRAD(Rho)y -0.2136048E-16 GRAD(Rho)z -0.3454370E-16 Laplacian 0.3287694E+00 (-1/4)Del**2(Rho)) -0.8219236E-01 Diamond 0.3141539E+00 Metallicity 0.3096927E+01 Ellipticity 0.1644444E-01 Gb(Abramov) 0.9721886E-01 Vb(Abramov) -0.1122454E+00 Hb(Abramov) -0.1502651E-01 Ex_ueg -0.2535240E-01 Ec_ueg -0.4115646E-02 Delta_ex -0.3049164E-01 Delta_ec 0.9749912E-02 Delta_et -0.1155548E+00 Pxc 0.6160006E+01 Qxc -0.3127375E+01 3,-1 171 3 -1 0.483817 -1.623223 1.750922 Rho 0.4631850E-01 |GRAD(Rho)| 0.8035065E-16 GRAD(Rho)x -0.5392635E-17 GRAD(Rho)y 0.4754290E-16 GRAD(Rho)z -0.6455090E-16 Laplacian 0.1821203E+00 (-1/4)Del**2(Rho)) -0.4553008E-01 Diamond 0.8341483E-01 Metallicity 0.2260367E+01 Ellipticity 0.1118097E-01 Gb(Abramov) 0.4750583E-01 Vb(Abramov) -0.4948159E-01 Hb(Abramov) -0.1975753E-02 Ex_ueg -0.1228545E-01 Ec_ueg -0.2212408E-02 Delta_ex -0.1471567E-01 Delta_ec 0.5447418E-02 Delta_et -0.5630349E-01 Pxc 0.5552977E+01 Qxc -0.2701402E+01 3,-1 172 3 -1 0.965150 1.884186 -3.151563 Rho 0.1728434E+00 |GRAD(Rho)| 0.4492270E-15 GRAD(Rho)x 0.1945059E-15 GRAD(Rho)y -0.4030522E-15 GRAD(Rho)z 0.3900417E-16 Laplacian 0.6610248E+00 (-1/4)Del**2(Rho)) -0.1652562E+00 Diamond 0.1584483E+01 Metallicity 0.5590922E+01 Ellipticity 0.7701663E-01 Gb(Abramov) 0.2641599E+00 Vb(Abramov) -0.3630636E+00 Hb(Abramov) -0.9890369E-01 Ex_ueg -0.7110860E-01 Ec_ueg -0.9921521E-02 Delta_ex -0.7349844E-01 Delta_ec 0.1612453E-01 Delta_et -0.2183766E+00 Pxc 0.7167107E+01 Qxc -0.4558177E+01 3,-1 173 3 +1 1.193450 2.160932 -1.341205 Rho 0.2816633E-01 |GRAD(Rho)| 0.2057229E-15 GRAD(Rho)x -0.1661488E-15 GRAD(Rho)y 0.1205817E-15 GRAD(Rho)z 0.1328705E-16 Laplacian 0.1118184E+00 (-1/4)Del**2(Rho)) -0.2795460E-01 Diamond 0.1795488E-01 Metallicity 0.1606881E+01 Ellipticity -0.6386230E+01 Gb(Abramov) 0.2612302E-01 Vb(Abramov) -0.2429144E-01 Hb(Abramov) 0.1831579E-02 Ex_ueg -0.6329346E-02 Ec_ueg -0.1249418E-02 Delta_ex -0.7247129E-02 Delta_ec 0.2016525E-02 Delta_et -0.1830485E-01 Pxc 0.5065834E+01 Qxc -0.3593871E+01 3,+1 174 3 -1 3.063505 3.246283 0.027135 Rho 0.2366161E+00 |GRAD(Rho)| 0.3770647E-15 GRAD(Rho)x -0.7334628E-16 GRAD(Rho)y -0.3698214E-15 GRAD(Rho)z -0.5502326E-17 Laplacian 0.8679965E+00 (-1/4)Del**2(Rho)) -0.2169991E+00 Diamond 0.3014779E+01 Metallicity 0.7186252E+01 Ellipticity 0.4337073E-02 Gb(Abramov) 0.4045678E+00 Vb(Abramov) -0.5921365E+00 Hb(Abramov) -0.1875687E+00 Ex_ueg -0.1080880E+00 Ec_ueg -0.1420551E-01 Delta_ex -0.1044671E+00 Delta_ec 0.1922579E-01 Delta_et -0.2660464E+00 Pxc 0.7608879E+01 Qxc -0.5433698E+01 3,-1 175 3 -1 -0.776127 -2.013130 -3.050353 Rho 0.9402404E-01 |GRAD(Rho)| 0.1706126E-15 GRAD(Rho)x 0.1536145E-15 GRAD(Rho)y 0.3283777E-16 GRAD(Rho)z -0.6658018E-16 Laplacian 0.3702866E+00 (-1/4)Del**2(Rho)) -0.9257165E-01 Diamond 0.4270307E+00 Metallicity 0.3618040E+01 Ellipticity 0.1415564E-01 Gb(Abramov) 0.1175358E+00 Vb(Abramov) -0.1424999E+00 Hb(Abramov) -0.2496410E-01 Ex_ueg -0.3157696E-01 Ec_ueg -0.4964494E-02 Delta_ex -0.3556432E-01 Delta_ec 0.1044905E-01 Delta_et -0.1281727E+00 Pxc 0.6360559E+01 Qxc -0.3403593E+01 3,-1 176 3 -1 -0.611824 -1.714217 2.789830 Rho 0.1621880E+00 |GRAD(Rho)| 0.3006209E-14 GRAD(Rho)x -0.1560546E-14 GRAD(Rho)y 0.2114221E-14 GRAD(Rho)z 0.1460156E-14 Laplacian 0.6777063E+00 (-1/4)Del**2(Rho)) -0.1694266E+00 Diamond 0.1485156E+01 Metallicity 0.4904589E+01 Ellipticity 0.3494832E-01 Gb(Abramov) 0.2514457E+00 Vb(Abramov) -0.3334648E+00 Hb(Abramov) -0.8201910E-01 Ex_ueg -0.6532456E-01 Ec_ueg -0.9228229E-02 Delta_ex -0.7398851E-01 Delta_ec 0.1648711E-01 Delta_et -0.2207911E+00 Pxc 0.7078775E+01 Qxc -0.4487659E+01 3,-1 177 3 -1 -0.072095 3.174477 3.231334 Rho 0.2384582E+00 |GRAD(Rho)| 0.3280253E-13 GRAD(Rho)x 0.2069476E-13 GRAD(Rho)y -0.3187934E-14 GRAD(Rho)z 0.2525015E-13 Laplacian 0.8564544E+00 (-1/4)Del**2(Rho)) -0.2141136E+00 Diamond 0.3017512E+01 Metallicity 0.7377841E+01 Ellipticity 0.8339722E-03 Gb(Abramov) 0.4060251E+00 Vb(Abramov) -0.5979365E+00 Hb(Abramov) -0.1919115E+00 Ex_ueg -0.1092114E+00 Ec_ueg -0.1433260E-01 Delta_ex -0.1033669E+00 Delta_ec 0.1906984E-01 Delta_et -0.2645900E+00 Pxc 0.7619792E+01 Qxc -0.5420439E+01 3,-1 178 3 -1 -0.391635 -0.399865 -0.467179 Rho 0.1415274E+00 |GRAD(Rho)| 0.2484247E-15 GRAD(Rho)x -0.1301697E-15 GRAD(Rho)y -0.1733574E-15 GRAD(Rho)z -0.1213172E-15 Laplacian 0.7610484E+00 (-1/4)Del**2(Rho)) -0.1902621E+00 Diamond 0.1743800E+01 Metallicity 0.3480181E+01 Ellipticity 0.2332978E-02 Gb(Abramov) 0.2371992E+00 Vb(Abramov) -0.2841363E+00 Hb(Abramov) -0.4693707E-01 Ex_ueg -0.5447190E-01 Ec_ueg -0.7903373E-02 Delta_ex -0.8386332E-01 Delta_ec 0.2546072E-01 Delta_et -0.3485433E+00 Pxc 0.6892235E+01 Qxc -0.3293832E+01 3,-1 179 3 -1 -1.968597 -0.968167 -3.114398 Rho 0.1740309E+00 |GRAD(Rho)| 0.4639545E-16 GRAD(Rho)x 0.4453360E-16 GRAD(Rho)y -0.4743385E-17 GRAD(Rho)z -0.1211596E-16 Laplacian 0.6643588E+00 (-1/4)Del**2(Rho)) -0.1660897E+00 Diamond 0.1606883E+01 Metallicity 0.5626708E+01 Ellipticity 0.7012136E-01 Gb(Abramov) 0.2664828E+00 Vb(Abramov) -0.3668760E+00 Hb(Abramov) -0.1003931E+00 Ex_ueg -0.7176073E-01 Ec_ueg -0.9999196E-02 Delta_ex -0.7400631E-01 Delta_ec 0.1619536E-01 Delta_et -0.2195560E+00 Pxc 0.7176650E+01 Qxc -0.4569599E+01 3,-1 180 3 -1 3.154635 -3.242958 0.073145 Rho 0.2377431E+00 |GRAD(Rho)| 0.1387317E-13 GRAD(Rho)x -0.8716281E-14 GRAD(Rho)y 0.1072341E-13 GRAD(Rho)z -0.1224661E-14 Laplacian 0.8636448E+00 (-1/4)Del**2(Rho)) -0.2159112E+00 Diamond 0.3022564E+01 Metallicity 0.7279886E+01 Ellipticity 0.1152693E-02 Gb(Abramov) 0.4059090E+00 Vb(Abramov) -0.5959067E+00 Hb(Abramov) -0.1899978E+00 Ex_ueg -0.1087750E+00 Ec_ueg -0.1428324E-01 Delta_ex -0.1041030E+00 Delta_ec 0.1915741E-01 Delta_et -0.2653858E+00 Pxc 0.7615567E+01 Qxc -0.5434085E+01 3,-1 181 3 -1 0.389588 0.396030 -0.462543 Rho 0.1409363E+00 |GRAD(Rho)| 0.2512155E-15 GRAD(Rho)x -0.2048236E-15 GRAD(Rho)y -0.1299502E-15 GRAD(Rho)z 0.6534126E-16 Laplacian 0.7549983E+00 (-1/4)Del**2(Rho)) -0.1887496E+00 Diamond 0.1720188E+01 Metallicity 0.3483684E+01 Ellipticity 0.3221902E-02 Gb(Abramov) 0.2354237E+00 Vb(Abramov) -0.2820978E+00 Hb(Abramov) -0.4667411E-01 Ex_ueg -0.5416876E-01 Ec_ueg -0.7865856E-02 Delta_ex -0.8310527E-01 Delta_ec 0.2526065E-01 Delta_et -0.3454819E+00 Pxc 0.6886569E+01 Qxc -0.3289910E+01 3,-1 182 3 -1 1.725416 2.805852 0.553248 Rho 0.1622884E+00 |GRAD(Rho)| 0.1700072E-14 GRAD(Rho)x 0.1119439E-14 GRAD(Rho)y -0.7396292E-16 GRAD(Rho)z -0.1277353E-14 Laplacian 0.6848611E+00 (-1/4)Del**2(Rho)) -0.1712153E+00 Diamond 0.1493430E+01 Metallicity 0.4858361E+01 Ellipticity 0.3554648E-01 Gb(Abramov) 0.2527811E+00 Vb(Abramov) -0.3343470E+00 Hb(Abramov) -0.8156585E-01 Ex_ueg -0.6537851E-01 Ec_ueg -0.9234734E-02 Delta_ex -0.7470476E-01 Delta_ec 0.1652206E-01 Delta_et -0.2209151E+00 Pxc 0.7079632E+01 Qxc -0.4521516E+01 3,-1 183 3 -1 2.754933 0.614735 1.725080 Rho 0.1526170E+00 |GRAD(Rho)| 0.6307748E-14 GRAD(Rho)x -0.9825989E-15 GRAD(Rho)y -0.3579615E-14 GRAD(Rho)z 0.5099857E-14 Laplacian 0.6356679E+00 (-1/4)Del**2(Rho)) -0.1589170E+00 Diamond 0.1298877E+01 Metallicity 0.4724845E+01 Ellipticity 0.2337677E-01 Gb(Abramov) 0.2310877E+00 Vb(Abramov) -0.3032584E+00 Hb(Abramov) -0.7217069E-01 Ex_ueg -0.6023591E-01 Ec_ueg -0.8611248E-02 Delta_ex -0.6839684E-01 Delta_ec 0.1577499E-01 Delta_et -0.2098249E+00 Pxc 0.6995027E+01 Qxc -0.4335777E+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 80 171 176 92 102 158 89 151 105 139 175 57 138 106 156 132 172 140 95 98 157 141 134 131 177 104 148 160 147 159 180 165 113 182 114 161 174 76 94 129 168 136 125 55 62 127 56 126 150 58 170 152 67 179 124 123 71 169 166 73 70 111 183 115 163 108 118 143 162 110 122 146 116 164 178 181 153 121 154 96 149 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 18 21 25 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 20 23 27 54 2.395862 1.856652 2.031308 1.885177 2.038103 1.722282 2.387235 1.864928 1.856418 2.088358 2.030378 1.723485 2.356427 1.884751 2.149395 1.844402 1.982628 1.722244 2.476178 2.005317 2.051542 1.868910 1.867089 1.719094 2.447929 2.025413 2.023608 1.874619 1.868774 1.720039 2.378947 1.988825 1.855971 2.062995 1.913675 1.721875 2.160031 1.802897 1.800519 2.072519 2.058572 1.893583 2.389721 2.037542 1.859971 2.040691 1.884851 1.722278 2.365661 2.142589 2.000278 1.874795 1.842096 1.722312 2.480481 1.861706 2.027620 1.864715 2.044783 1.720109 2.386580 1.882107 1.870680 2.026762 2.025355 1.723018 2.403672 1.858517 2.029444 1.866495 2.078520 1.721785 1.641572 1.644687 1.646524 1.675390 3.245431 3.239070 3.224297 0.981402 2.396612 1.857252 2.031750 1.885799 2.038860 1.722303 2.387847 1.865463 1.856866 2.089150 2.031122 1.723502 2.357220 1.885316 2.149903 1.844881 1.983443 1.722281 2.476677 2.006156 2.052070 1.869540 1.867591 1.719113 2.448653 2.025943 2.024248 1.875224 1.869401 1.720058 2.379695 1.989444 1.856474 2.063729 1.914463 1.721894 2.160593 1.803588 1.801171 2.073233 2.059394 1.895782 2.390487 2.037984 1.860600 2.041470 1.885462 1.722296 2.366582 2.143131 2.001019 1.875464 1.842533 1.722346 2.480903 1.862322 2.028084 1.865185 2.045564 1.720127 2.387244 1.882645 1.871160 2.027559 2.026068 1.723033 2.404260 1.859000 2.030020 1.867168 2.079279 1.721810 1.641582 1.644689 1.646529 1.675553 3.259027 3.248606 3.233629 0.981603 27 22 24 25 24 23 27 25 23 25 24 21 27 27 25 23 23 24 31 27 25 24 23 20 27 25 24 24 23 20 27 24 23 25 24 23 25 23 23 25 25 26 27 24 23 25 23 22 27 25 24 23 22 23 29 24 25 23 25 22 27 23 25 24 25 25 27 24 24 27 25 26 20 20 20 23 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 Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Si H 2.3888 2.3809 2.3850 2.3570 2.3620 2.3907 2.5496 2.3829 2.3679 2.3629 2.3939 2.3717 -1.1472 -1.1582 -1.1583 -1.1466 -0.8959 -0.8962 -0.8472 -0.8992 -0.8967 -0.8978 -0.9094 -0.8951 -0.8433 -0.8940 -0.8886 -0.8949 -0.8824 -0.8769 -0.8785 -0.8872 -0.8887 -0.8703 -0.8796 -0.8717 -0.8912 -0.8850 -0.8763 -0.8893 -0.6760 -0.6786 -0.6703 -0.6723 -0.6702 -0.6731 -0.6818 -0.6756 -0.6710 -0.6772 -0.6770 -0.6744 1.9488 0.3011 1.8924 1.8889 1.8920 1.8963 1.8999 1.8948 1.8784 1.8965 1.8996 1.8915 1.8881 1.8963 1.8982 1.8990 1.8992 1.9060 1.9481 1.9475 1.9612 1.9467 1.9483 1.9468 1.9444 1.9483 1.9619 1.9484 1.9490 1.9484 1.9564 1.9566 1.9580 1.9573 1.9561 1.9603 1.9561 1.9604 1.9561 1.9567 1.9567 1.9553 1.9826 1.9829 1.9833 1.9837 1.9836 1.9832 1.8830 1.9827 1.9829 1.9834 1.9827 1.9831 2.3094 0.5976 6.0759 6.0833 6.0769 6.0867 6.0845 6.0760 6.0391 6.0777 6.0796 6.0858 6.0778 6.0819 5.2214 5.2307 5.2305 5.2108 4.9209 4.9213 4.8557 4.9246 4.9210 4.9240 4.9389 4.9194 4.8506 4.9183 4.9126 4.9187 4.8959 4.8906 4.8909 4.8999 4.9028 4.8786 4.8939 4.8803 4.9055 4.8982 4.8895 4.9045 4.6584 4.6610 4.6519 4.6531 4.6511 4.6548 4.7691 4.6579 4.6531 4.6585 4.6595 4.6563 7.1493 0.1012 3.6429 3.6468 3.6461 3.6600 3.6536 3.6385 3.5329 3.6429 3.6529 3.6598 3.6402 3.6501 0.0276 0.0286 0.0286 0.0298 0.0270 0.0274 0.0303 0.0278 0.0274 0.0271 0.0261 0.0275 0.0308 0.0273 0.0271 0.0278 0.0301 0.0297 0.0297 0.0300 0.0297 0.0313 0.0296 0.0310 0.0295 0.0300 0.0301 0.0295 0.0350 0.0347 0.0351 0.0356 0.0354 0.0351 0.0297 0.0350 0.0351 0.0353 0.0348 0.0351 0.5925 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Si H 3.182003 3.174292 3.175007 3.176165 3.181900 3.179705 3.207827 3.178197 3.173944 3.172174 3.185358 3.173377 -1.192212 -1.199995 -1.200517 -1.188034 -1.159184 -1.161025 -1.100081 -1.165710 -1.161717 -1.165050 -1.171595 -1.159953 -1.097156 -1.157294 -1.150848 -1.160669 -1.131891 -1.126534 -1.123985 -1.125950 -1.134042 -1.117795 -1.131174 -1.119616 -1.136847 -1.123710 -1.126681 -1.134891 -0.936839 -0.939396 -0.929932 -0.934635 -0.930713 -0.933543 -0.652228 -0.937214 -0.931141 -0.939739 -0.937229 -0.935702 1.761431 0.141089 2.392695 2.385875 2.390566 2.388438 2.395526 2.390813 2.266014 2.390738 2.391289 2.384859 2.391260 2.387933 -0.949280 -0.951471 -0.951369 -0.909145 -0.903281 -0.903794 -0.822436 -0.895128 -0.899321 -0.902858 -0.905191 -0.901109 -0.818627 -0.898747 -0.902582 -0.899711 -0.897083 -0.893482 -0.897969 -0.877419 -0.903291 -0.886519 -0.901053 -0.890246 -0.906366 -0.870300 -0.892101 -0.895562 -0.681394 -0.682674 -0.671356 -0.676126 -0.672266 -0.678800 -0.750951 -0.682037 -0.671745 -0.681507 -0.683023 -0.677841 1.325400 0.453752 2.465436 2.450849 2.455059 2.461547 2.466556 2.463163 2.506538 2.462154 2.453991 2.457329 2.463252 2.455689 -0.945342 -0.946953 -0.947290 -0.906201 -0.978466 -0.988797 -0.895108 -0.963955 -0.967604 -0.980305 -1.010472 -0.973518 -0.885436 -0.973588 -0.983898 -0.974177 -0.934845 -0.922929 -0.938677 -0.973515 -0.950398 -0.916962 -0.928440 -0.923016 -0.956299 -0.956663 -0.923439 -0.938494 -0.640215 -0.637128 -0.631646 -0.638790 -0.633782 -0.635866 -0.761543 -0.641047 -0.635038 -0.641246 -0.637937 -0.637436 1.323190 0.471706 -5.37938214 6.27947255 1.00308336 8.32920788 6.31594562 -27.60249901 -3.44788442 9.58498991 3.85206652 -15.90093553 -345.5908 413.0619 -170.5515 -335.4683 -10.7298 -449.2785 Mar08-2024 01:12:39 Nodes: 1 Procs: 1 Mar08-2024 01:12:39 Nodes: 1 Procs: 1 0 Mar08-2024 01:12:40 Nodes: 1 Procs: 1 Mar08-2024 01:12:40 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar08-2024 01:12:41 Nodes: 1 Procs: 1 Mar08-2024 01:12:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar08-2024 01:12:42 Nodes: 1 Procs: 1 Mar08-2024 01:12:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar08-2024 01:12:44 Nodes: 1 Procs: 24 *** (NO TITLE) *** -3 -16.46744374 -16.49383614 -16.50180206 -16.50594481 -16.50763907 -16.50838511 -16.50849727 -16.50862748 -16.50866651 -16.50870762 -16.50874964 -16.50875507 -16.50885824 -16.50907372 -16.50931542 -16.50557125 -16.50923332 -16.50770381 -16.50912870 -16.50955499 -16.51003579 -16.51015012 -16.51014106 -16.51046843 -16.51027850 -16.51049319 -16.51059267 -16.51066345 -16.51070897 -16.51074747 -16.51077156 -16.51078836 -16.51077555 -16.51072235 -16.51073564 -16.51074050 -16.51072756 -16.51071280 -16.51069300 -16.51066743 -16.51066834 -16.51068227 GEOMETRY CONVERGED