ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr24-2024 16:53:07 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 0.40 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 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr24-2024 16:53:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.01 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 0 Apr24-2024 16:53:08 Nodes: 1 Procs: 1 Apr24-2024 16:53:08 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr24-2024 16:53:09 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 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 0 Apr24-2024 16:53:08 Nodes: 1 Procs: 1 Apr24-2024 16:53:08 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr24-2024 16:53:09 Nodes: 1 Procs: 1 Apr24-2024 16:53:09 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr24-2024 16:53:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.02 1.41 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 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 0 Apr24-2024 16:53:08 Nodes: 1 Procs: 1 Apr24-2024 16:53:08 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr24-2024 16:53:09 Nodes: 1 Procs: 1 Apr24-2024 16:53:09 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr24-2024 16:53:10 Nodes: 1 Procs: 1 Apr24-2024 16:53:11 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr24-2024 16:53:13 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 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 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 0 Apr24-2024 16:53:08 Nodes: 1 Procs: 1 Apr24-2024 16:53:08 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr24-2024 16:53:09 Nodes: 1 Procs: 1 Apr24-2024 16:53:09 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr24-2024 16:53:10 Nodes: 1 Procs: 1 Apr24-2024 16:53:11 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr24-2024 16:53:13 Nodes: 1 Procs: 1 Apr24-2024 16:53:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr24-2024 16:53:14 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 1877.9133609999978 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3,-3 36 3 -3 5.431701 0.244785 -0.057441 Rho 0.3193040E+03 3,-3 37 3 -3 -2.772695 3.789470 -2.539768 Rho 0.3191936E+03 3,-3 38 3 -3 2.797232 3.765009 2.518003 Rho 0.3191938E+03 3,-3 39 3 -3 -1.817038 2.477753 -1.843784 Rho 0.4361415E+07 3,-3 40 3 -3 1.791737 2.465628 1.875673 Rho 0.4361415E+07 3,-3 41 3 -3 1.761461 -2.635458 -1.711568 Rho 0.4361415E+07 3,-3 42 3 -3 1.691724 2.506714 -1.871123 Rho 0.4361415E+07 3,-3 43 3 -3 -0.160054 -0.017710 3.493591 Rho 0.4361415E+07 3,-3 44 3 -3 -0.140536 -0.172438 0.000895 Rho 0.2439638E+04 3,-3 45 3 -3 -3.030474 1.152715 0.353097 Rho 0.4345624E+00 3,-3 46 3 +1 -2.293046 0.359949 -0.080784 Rho 0.6255075E-02 |GRAD(Rho)| 0.2118355E-14 GRAD(Rho)x -0.1165262E-14 GRAD(Rho)y 0.1517791E-14 GRAD(Rho)z -0.9087918E-15 Laplacian 0.2303827E-01 (-1/4)Del**2(Rho)) -0.5759568E-02 Diamond 0.5491481E-03 Metallicity 0.6351615E+00 Ellipticity -0.1943189E+01 Gb(Abramov) 0.4449421E-02 Vb(Abramov) -0.3139274E-02 Hb(Abramov) 0.1310147E-02 Ex_ueg -0.8511937E-03 Ec_ueg -0.2013173E-03 Delta_ex -0.1074964E-02 Delta_ec 0.5077649E-03 Delta_et -0.3034228E-02 Pxc 0.4228120E+01 Qxc -0.2117050E+01 3,+1 47 3 -1 -2.196241 0.250440 0.525206 Rho 0.7154390E-02 |GRAD(Rho)| 0.4830274E-17 GRAD(Rho)x 0.2303930E-18 GRAD(Rho)y -0.4824700E-17 GRAD(Rho)z -0.2710505E-19 Laplacian 0.2717621E-01 (-1/4)Del**2(Rho)) -0.6794052E-02 Diamond 0.1202902E-02 Metallicity 0.6735636E+00 Ellipticity 0.4177381E+00 Gb(Abramov) 0.5292072E-02 Vb(Abramov) -0.3790093E-02 Hb(Abramov) 0.1501980E-02 Ex_ueg -0.1018158E-02 Ec_ueg -0.2407714E-03 Delta_ex -0.1552189E-02 Delta_ec 0.1037157E-02 Delta_et -0.6200853E-02 Pxc 0.4228733E+01 Qxc -0.1496580E+01 3,-1 48 3 -1 -2.138478 0.240640 -0.613844 Rho 0.7098423E-02 |GRAD(Rho)| 0.1302667E-16 GRAD(Rho)x 0.7250602E-17 GRAD(Rho)y -0.9256376E-17 GRAD(Rho)z 0.5607358E-17 Laplacian 0.2653671E-01 (-1/4)Del**2(Rho)) -0.6634177E-02 Diamond 0.1130359E-02 Metallicity 0.6808257E+00 Ellipticity 0.3092655E+00 Gb(Abramov) 0.5175571E-02 Vb(Abramov) -0.3716965E-02 Hb(Abramov) 0.1458606E-02 Ex_ueg -0.1007552E-02 Ec_ueg -0.2383049E-03 Delta_ex -0.1494846E-02 Delta_ec 0.9796166E-03 Delta_et -0.5853312E-02 Pxc 0.4227996E+01 Qxc -0.1525950E+01 3,-1 49 3 -1 -3.038859 1.217424 -0.209402 Rho 0.4556986E-01 |GRAD(Rho)| 0.3530839E-16 GRAD(Rho)x -0.4580364E-17 GRAD(Rho)y -0.2158370E-16 GRAD(Rho)z -0.2756532E-16 Laplacian 0.1257559E+00 (-1/4)Del**2(Rho)) -0.3143897E-01 Diamond 0.8566871E-01 Metallicity 0.3185770E+01 Ellipticity 0.9320813E-02 Gb(Abramov) 0.3765220E-01 Vb(Abramov) -0.4386543E-01 Hb(Abramov) -0.6213230E-02 Ex_ueg -0.1202141E-01 Ec_ueg -0.2171496E-02 Delta_ex -0.1155067E-01 Delta_ec 0.6316277E-02 Delta_et -0.6553477E-01 Pxc 0.5536002E+01 Qxc -0.1828714E+01 3,-1 50 3 +1 -1.812758 0.441830 -0.734121 Rho 0.6759802E-02 |GRAD(Rho)| 0.1904417E-15 GRAD(Rho)x 0.1066855E-15 GRAD(Rho)y -0.1480749E-15 GRAD(Rho)z 0.5440662E-16 Laplacian 0.2663138E-01 (-1/4)Del**2(Rho)) -0.6657844E-02 Diamond 0.7219864E-03 Metallicity 0.6253303E+00 Ellipticity -0.1917469E+01 Gb(Abramov) 0.5132455E-02 Vb(Abramov) -0.3607065E-02 Hb(Abramov) 0.1525389E-02 Ex_ueg -0.9439819E-03 Ec_ueg -0.2234130E-03 Delta_ex -0.1274897E-02 Delta_ec 0.6058378E-03 Delta_et -0.3690882E-02 Pxc 0.4225278E+01 Qxc -0.2104354E+01 3,+1 51 3 +3 -1.637251 1.076038 0.063700 Rho 0.4236340E-02 |GRAD(Rho)| 0.1244094E-17 GRAD(Rho)x -0.4955143E-18 GRAD(Rho)y -0.2995320E-18 GRAD(Rho)z 0.1101143E-17 Laplacian 0.1690110E-01 (-1/4)Del**2(Rho)) -0.4225276E-02 Diamond 0.1226197E-03 Metallicity 0.4522196E+00 Ellipticity -0.3375609E+00 Gb(Abramov) 0.3135310E-02 Vb(Abramov) -0.2045343E-02 Hb(Abramov) 0.1089967E-02 Ex_ueg -0.5062590E-03 Ec_ueg -0.1141989E-03 Delta_ex -0.5908509E-03 Delta_ec 0.1334486E-03 Delta_et -0.8531112E-03 Pxc 0.4433135E+01 Qxc -0.4427553E+01 3,+3 52 3 +1 2.222449 -0.076708 2.040286 Rho 0.4490672E-02 |GRAD(Rho)| 0.3108500E-17 GRAD(Rho)x 0.1415079E-17 GRAD(Rho)y 0.2760574E-17 GRAD(Rho)z -0.1988941E-18 Laplacian 0.1814208E-01 (-1/4)Del**2(Rho)) -0.4535520E-02 Diamond 0.3718682E-03 Metallicity 0.4642782E+00 Ellipticity -0.2735668E+01 Gb(Abramov) 0.3374637E-02 Vb(Abramov) -0.2213754E-02 Hb(Abramov) 0.1160883E-02 Ex_ueg -0.5471841E-03 Ec_ueg -0.1250606E-03 Delta_ex -0.8897285E-03 Delta_ec 0.5821282E-03 Delta_et -0.3056530E-02 Pxc 0.4375352E+01 Qxc -0.1528407E+01 3,+1 53 3 -1 -1.539999 1.975426 -2.699972 Rho 0.1433212E+00 |GRAD(Rho)| 0.1806650E-13 GRAD(Rho)x -0.1619257E-13 GRAD(Rho)y -0.7801729E-14 GRAD(Rho)z 0.1825444E-14 Laplacian 0.5632210E+00 (-1/4)Del**2(Rho)) -0.1408052E+00 Diamond 0.1089744E+01 Metallicity 0.4802326E+01 Ellipticity 0.4405579E-01 Gb(Abramov) 0.2065689E+00 Vb(Abramov) -0.2723326E+00 Hb(Abramov) -0.6576369E-01 Ex_ueg -0.5539436E-01 Ec_ueg -0.8017353E-02 Delta_ex -0.5991000E-01 Delta_ec 0.1462452E-01 Delta_et -0.1937903E+00 Pxc 0.6909307E+01 Qxc -0.4096545E+01 3,-1 54 3 +1 -2.517668 1.910279 -0.023800 Rho 0.1496479E-01 |GRAD(Rho)| 0.2902969E-16 GRAD(Rho)x -0.1836367E-16 GRAD(Rho)y -0.1439278E-16 GRAD(Rho)z 0.1727270E-16 Laplacian 0.6957277E-01 (-1/4)Del**2(Rho)) -0.1739319E-01 Diamond 0.3865229E-02 Metallicity 0.9001020E+00 Ellipticity -0.1448116E+01 Gb(Abramov) 0.1420474E-01 Vb(Abramov) -0.1101628E-01 Hb(Abramov) 0.3188457E-02 Ex_ueg -0.2723617E-02 Ec_ueg -0.5981075E-03 Delta_ex -0.3645977E-02 Delta_ec 0.9375128E-03 Delta_et -0.7392347E-02 Pxc 0.4553725E+01 Qxc -0.3888989E+01 3,+1 55 3 +3 -0.008787 1.784115 -2.577436 Rho 0.1144418E-01 |GRAD(Rho)| 0.1411913E-16 GRAD(Rho)x -0.1073483E-16 GRAD(Rho)y 0.7486299E-17 GRAD(Rho)z -0.5297969E-17 Laplacian 0.5136601E-01 (-1/4)Del**2(Rho)) -0.1284150E-01 Diamond 0.1022525E-02 Metallicity 0.7796721E+00 Ellipticity -0.5009710E+00 Gb(Abramov) 0.1022970E-01 Vb(Abramov) -0.7617888E-02 Hb(Abramov) 0.2611807E-02 Ex_ueg -0.1904722E-02 Ec_ueg -0.4339718E-03 Delta_ex -0.2214583E-02 Delta_ec 0.1686860E-03 Delta_et -0.1642382E-02 Pxc 0.4389045E+01 Qxc -0.1312844E+02 3,+3 56 3 -1 -0.043362 3.000837 0.001470 Rho 0.5591999E-02 |GRAD(Rho)| 0.7304815E-17 GRAD(Rho)x 0.6671933E-17 GRAD(Rho)y 0.9260684E-18 GRAD(Rho)z -0.2826311E-17 Laplacian 0.2274556E-01 (-1/4)Del**2(Rho)) -0.5686389E-02 Diamond 0.7069114E-03 Metallicity 0.5337383E+00 Ellipticity 0.6531335E+01 Gb(Abramov) 0.4296767E-02 Vb(Abramov) -0.2907144E-02 Hb(Abramov) 0.1389623E-02 Ex_ueg -0.7330627E-03 Ec_ueg -0.1724772E-03 Delta_ex -0.1228042E-02 Delta_ec 0.8452632E-03 Delta_et -0.4695751E-02 Pxc 0.4250201E+01 Qxc -0.1452852E+01 3,-1 57 3 +1 -0.047373 2.045324 2.873338 Rho 0.1205030E-01 |GRAD(Rho)| 0.1636121E-14 GRAD(Rho)x -0.1522645E-14 GRAD(Rho)y 0.5468600E-15 GRAD(Rho)z -0.2437020E-15 Laplacian 0.5644009E-01 (-1/4)Del**2(Rho)) -0.1411002E-01 Diamond 0.1980910E-02 Metallicity 0.7733123E+00 Ellipticity -0.1202983E+01 Gb(Abramov) 0.1122526E-01 Vb(Abramov) -0.8340493E-02 Hb(Abramov) 0.2884765E-02 Ex_ueg -0.2040400E-02 Ec_ueg -0.4618913E-03 Delta_ex -0.2692952E-02 Delta_ec 0.5819207E-03 Delta_et -0.4483429E-02 Pxc 0.4417489E+01 Qxc -0.4627696E+01 3,+1 58 3 +1 -0.654049 1.068694 -2.392421 Rho 0.2418329E-01 |GRAD(Rho)| 0.4508930E-16 GRAD(Rho)x -0.1541925E-16 GRAD(Rho)y -0.2453378E-16 GRAD(Rho)z -0.3454542E-16 Laplacian 0.9427863E-01 (-1/4)Del**2(Rho)) -0.2356966E-01 Diamond 0.1246275E-01 Metallicity 0.1478174E+01 Ellipticity -0.5034833E+01 Gb(Abramov) 0.2151978E-01 Vb(Abramov) -0.1946990E-01 Hb(Abramov) 0.2049877E-02 Ex_ueg -0.5165023E-02 Ec_ueg -0.1047683E-02 Delta_ex -0.5889445E-02 Delta_ec 0.1738307E-02 Delta_et -0.1518458E-01 Pxc 0.4929950E+01 Qxc -0.3388035E+01 3,+1 59 3 -1 -0.484877 -2.210234 2.464629 Rho 0.5816166E-02 |GRAD(Rho)| 0.1373707E-16 GRAD(Rho)x -0.8314657E-17 GRAD(Rho)y 0.9656327E-17 GRAD(Rho)z 0.5131165E-17 Laplacian 0.2355716E-01 (-1/4)Del**2(Rho)) -0.5889290E-02 Diamond 0.8295863E-03 Metallicity 0.5502392E+00 Ellipticity 0.2270741E+01 Gb(Abramov) 0.4466280E-02 Vb(Abramov) -0.3043269E-02 Hb(Abramov) 0.1423010E-02 Ex_ueg -0.7725040E-03 Ec_ueg -0.1822031E-03 Delta_ex -0.1324980E-02 Delta_ec 0.9536695E-03 Delta_et -0.5335466E-02 Pxc 0.4239797E+01 Qxc -0.1389349E+01 3,-1 60 3 -1 -0.487192 -2.203901 -2.496608 Rho 0.5779306E-02 |GRAD(Rho)| 0.1600907E-16 GRAD(Rho)x 0.7865791E-17 GRAD(Rho)y -0.1298733E-16 GRAD(Rho)z 0.5074348E-17 Laplacian 0.2345272E-01 (-1/4)Del**2(Rho)) -0.5863180E-02 Diamond 0.8155772E-03 Metallicity 0.5468641E+00 Ellipticity 0.2548861E+01 Gb(Abramov) 0.4443180E-02 Vb(Abramov) -0.3023181E-02 Hb(Abramov) 0.1420000E-02 Ex_ueg -0.7659833E-03 Ec_ueg -0.1806021E-03 Delta_ex -0.1315068E-02 Delta_ec 0.9449208E-03 Delta_et -0.5277623E-02 Pxc 0.4241275E+01 Qxc -0.1391723E+01 3,-1 61 3 +1 -0.372382 -2.139546 2.484168 Rho 0.5802523E-02 |GRAD(Rho)| 0.1074539E-16 GRAD(Rho)x -0.5656261E-17 GRAD(Rho)y 0.8983006E-17 GRAD(Rho)z 0.1666059E-17 Laplacian 0.2464079E-01 (-1/4)Del**2(Rho)) -0.6160198E-02 Diamond 0.7402296E-03 Metallicity 0.5239864E+00 Ellipticity -0.3650534E+01 Gb(Abramov) 0.4644775E-02 Vb(Abramov) -0.3129353E-02 Hb(Abramov) 0.1515423E-02 Ex_ueg -0.7700890E-03 Ec_ueg -0.1816105E-03 Delta_ex -0.1290333E-02 Delta_ec 0.8279036E-03 Delta_et -0.4680831E-02 Pxc 0.4240334E+01 Qxc -0.1558554E+01 3,+1 62 3 -1 -1.178558 -0.907307 -1.651704 Rho 0.5540595E-02 |GRAD(Rho)| 0.2188194E-16 GRAD(Rho)x 0.1215206E-16 GRAD(Rho)y 0.1812064E-16 GRAD(Rho)z 0.1669992E-17 Laplacian 0.2096626E-01 (-1/4)Del**2(Rho)) -0.5241565E-02 Diamond 0.6151425E-03 Metallicity 0.5701899E+00 Ellipticity 0.1982075E+02 Gb(Abramov) 0.3992491E-02 Vb(Abramov) -0.2743417E-02 Hb(Abramov) 0.1249074E-02 Ex_ueg -0.7240917E-03 Ec_ueg -0.1702505E-03 Delta_ex -0.1107025E-02 Delta_ec 0.7380324E-03 Delta_et -0.4102437E-02 Pxc 0.4253097E+01 Qxc -0.1499968E+01 3,-1 63 3 +1 -1.161309 -0.890195 -1.653550 Rho 0.5540536E-02 |GRAD(Rho)| 0.1065489E-12 GRAD(Rho)x -0.2365584E-13 GRAD(Rho)y 0.1036439E-12 GRAD(Rho)z -0.7142080E-14 Laplacian 0.2102279E-01 (-1/4)Del**2(Rho)) -0.5255697E-02 Diamond 0.6001972E-03 Metallicity 0.5686466E+00 Ellipticity -0.2119380E+02 Gb(Abramov) 0.4001904E-02 Vb(Abramov) -0.2748110E-02 Hb(Abramov) 0.1253793E-02 Ex_ueg -0.7240814E-03 Ec_ueg -0.1702479E-03 Delta_ex -0.1096569E-02 Delta_ec 0.7160293E-03 Delta_et -0.3988685E-02 Pxc 0.4253100E+01 Qxc -0.1531458E+01 3,+1 64 3 -1 -1.261927 -0.971627 1.618252 Rho 0.6650341E-02 |GRAD(Rho)| 0.3020992E-16 GRAD(Rho)x -0.1666167E-17 GRAD(Rho)y -0.6237762E-17 GRAD(Rho)z 0.2951192E-16 Laplacian 0.2529051E-01 (-1/4)Del**2(Rho)) -0.6322626E-02 Diamond 0.1020151E-02 Metallicity 0.6408093E+00 Ellipticity 0.1403894E+01 Gb(Abramov) 0.4890351E-02 Vb(Abramov) -0.3458075E-02 Hb(Abramov) 0.1432276E-02 Ex_ueg -0.9236560E-03 Ec_ueg -0.2186107E-03 Delta_ex -0.1428175E-02 Delta_ec 0.9714278E-03 Delta_et -0.5678271E-02 Pxc 0.4225118E+01 Qxc -0.1470181E+01 3,-1 65 3 +1 -1.081155 -0.801788 1.635622 Rho 0.6573717E-02 |GRAD(Rho)| 0.4661418E-14 GRAD(Rho)x 0.2084942E-14 GRAD(Rho)y 0.1898904E-14 GRAD(Rho)z 0.3711604E-14 Laplacian 0.2555463E-01 (-1/4)Del**2(Rho)) -0.6388658E-02 Diamond 0.7676987E-03 Metallicity 0.6220547E+00 Ellipticity -0.2756877E+01 Gb(Abramov) 0.4921454E-02 Vb(Abramov) -0.3454251E-02 Hb(Abramov) 0.1467203E-02 Ex_ueg -0.9094938E-03 Ec_ueg -0.2152525E-03 Delta_ex -0.1280615E-02 Delta_ec 0.6970725E-03 Delta_et -0.4150735E-02 Pxc 0.4225242E+01 Qxc -0.1837133E+01 3,+1 66 3 -1 0.603850 0.800226 3.443649 Rho 0.8993752E-01 |GRAD(Rho)| 0.1391464E-13 GRAD(Rho)x -0.1023666E-13 GRAD(Rho)y -0.8835170E-14 GRAD(Rho)z 0.3281418E-14 Laplacian 0.3642612E+00 (-1/4)Del**2(Rho)) -0.9106529E-01 Diamond 0.3954318E+00 Metallicity 0.3415349E+01 Ellipticity 0.1974847E-01 Gb(Abramov) 0.1125468E+00 Vb(Abramov) -0.1340284E+00 Hb(Abramov) -0.2148153E-01 Ex_ueg -0.2976046E-01 Ec_ueg -0.4719647E-02 Delta_ex -0.3457637E-01 Delta_ec 0.1028313E-01 Delta_et -0.1248790E+00 Pxc 0.6305653E+01 Qxc -0.3362437E+01 3,-1 67 3 -1 -0.863537 -0.633549 3.319072 Rho 0.2268115E+00 |GRAD(Rho)| 0.4397229E-13 GRAD(Rho)x -0.3584752E-14 GRAD(Rho)y -0.3576046E-13 GRAD(Rho)z -0.2533577E-13 Laplacian 0.8908589E+00 (-1/4)Del**2(Rho)) -0.2227147E+00 Diamond 0.2905492E+01 Metallicity 0.6524980E+01 Ellipticity 0.9112301E-02 Gb(Abramov) 0.3906780E+00 Vb(Abramov) -0.5586413E+00 Hb(Abramov) -0.1679633E+00 Ex_ueg -0.1021578E+00 Ec_ueg -0.1353219E-01 Delta_ex -0.1058433E+00 Delta_ec 0.1961800E-01 Delta_et -0.2695047E+00 Pxc 0.7549245E+01 Qxc -0.5395213E+01 3,-1 68 3 -1 -0.817142 -0.630164 -3.392016 Rho 0.2161820E+00 |GRAD(Rho)| 0.3884478E-13 GRAD(Rho)x -0.3553250E-13 GRAD(Rho)y 0.1259572E-14 GRAD(Rho)z 0.1564517E-13 Laplacian 0.8372359E+00 (-1/4)Del**2(Rho)) -0.2093090E+00 Diamond 0.2582526E+01 Metallicity 0.6409112E+01 Ellipticity 0.1243198E-01 Gb(Abramov) 0.3631201E+00 Vb(Abramov) -0.5169312E+00 Hb(Abramov) -0.1538111E+00 Ex_ueg -0.9582476E-01 Ec_ueg -0.1280820E-01 Delta_ex -0.9827195E-01 Delta_ec 0.1875043E-01 Delta_et -0.2572280E+00 Pxc 0.7481515E+01 Qxc -0.5241049E+01 3,-1 69 3 -1 -0.646191 -0.515787 0.006500 Rho 0.2306523E+00 |GRAD(Rho)| 0.1459518E-14 GRAD(Rho)x 0.1331176E-14 GRAD(Rho)y -0.2449747E-15 GRAD(Rho)z -0.5460335E-15 Laplacian 0.1083460E+01 (-1/4)Del**2(Rho)) -0.2708651E+00 Diamond 0.3780978E+01 Metallicity 0.5517339E+01 Ellipticity 0.5952596E-02 Gb(Abramov) 0.4296525E+00 Vb(Abramov) -0.5884399E+00 Hb(Abramov) -0.1587874E+00 Ex_ueg -0.1044709E+00 Ec_ueg -0.1379532E-01 Delta_ex -0.1302741E+00 Delta_ec 0.2549792E-01 Delta_et -0.3580221E+00 Pxc 0.7572921E+01 Qxc -0.5109204E+01 3,-1 70 3 +1 -0.384560 -2.140622 -2.513969 Rho 0.5769132E-02 |GRAD(Rho)| 0.5549336E-17 GRAD(Rho)x 0.3284060E-17 GRAD(Rho)y 0.3661309E-17 GRAD(Rho)z -0.2569999E-17 Laplacian 0.2445544E-01 (-1/4)Del**2(Rho)) -0.6113860E-02 Diamond 0.7362843E-03 Metallicity 0.5229039E+00 Ellipticity -0.3932169E+01 Gb(Abramov) 0.4608734E-02 Vb(Abramov) -0.3103607E-02 Hb(Abramov) 0.1505127E-02 Ex_ueg -0.7641860E-03 Ec_ueg -0.1801604E-03 Delta_ex -0.1284807E-02 Delta_ec 0.8316808E-03 Delta_et -0.4690294E-02 Pxc 0.4241698E+01 Qxc -0.1544831E+01 3,+1 71 3 -1 -0.745258 0.806203 -3.498260 Rho 0.1222355E+00 |GRAD(Rho)| 0.3137599E-15 GRAD(Rho)x -0.1217288E-15 GRAD(Rho)y 0.2811201E-15 GRAD(Rho)z 0.6781515E-16 Laplacian 0.4706698E+00 (-1/4)Del**2(Rho)) -0.1176674E+00 Diamond 0.7478556E+00 Metallicity 0.4407842E+01 Ellipticity 0.3645816E-01 Gb(Abramov) 0.1648882E+00 Vb(Abramov) -0.2121090E+00 Hb(Abramov) -0.4722077E-01 Ex_ueg -0.4480382E-01 Ec_ueg -0.6690675E-02 Delta_ex -0.4812450E-01 Delta_ec 0.1259365E-01 Delta_et -0.1624644E+00 Pxc 0.6696457E+01 Qxc -0.3821332E+01 3,-1 72 3 +1 0.789260 -0.672017 1.498054 Rho 0.9348808E-02 |GRAD(Rho)| 0.6892848E-15 GRAD(Rho)x -0.2998406E-15 GRAD(Rho)y 0.5483468E-15 GRAD(Rho)z 0.2907318E-15 Laplacian 0.4021705E-01 (-1/4)Del**2(Rho)) -0.1005426E-01 Diamond 0.1229752E-02 Metallicity 0.7108806E+00 Ellipticity -0.1392378E+01 Gb(Abramov) 0.7894071E-02 Vb(Abramov) -0.5733881E-02 Hb(Abramov) 0.2160191E-02 Ex_ueg -0.1454543E-02 Ec_ueg -0.3386071E-03 Delta_ex -0.1886223E-02 Delta_ec 0.5829857E-03 Delta_et -0.4057410E-02 Pxc 0.4295667E+01 Qxc -0.3235453E+01 3,+1 73 3 +1 0.728622 -0.595299 -1.561564 Rho 0.9085712E-02 |GRAD(Rho)| 0.6459562E-17 GRAD(Rho)x 0.4467182E-17 GRAD(Rho)y -0.3053779E-17 GRAD(Rho)z -0.3527699E-17 Laplacian 0.3903671E-01 (-1/4)Del**2(Rho)) -0.9759177E-02 Diamond 0.1163206E-02 Metallicity 0.6983476E+00 Ellipticity -0.1396527E+01 Gb(Abramov) 0.7642001E-02 Vb(Abramov) -0.5524825E-02 Hb(Abramov) 0.2117176E-02 Ex_ueg -0.1400222E-02 Ec_ueg -0.3267643E-03 Delta_ex -0.1823997E-02 Delta_ec 0.5771784E-03 Delta_et -0.3978767E-02 Pxc 0.4285115E+01 Qxc -0.3160196E+01 3,+1 74 3 +1 -1.738765 0.535477 0.780141 Rho 0.6193599E-02 |GRAD(Rho)| 0.2151792E-17 GRAD(Rho)x -0.1463673E-17 GRAD(Rho)y 0.1077426E-17 GRAD(Rho)z 0.1151965E-17 Laplacian 0.2463251E-01 (-1/4)Del**2(Rho)) -0.6158128E-02 Diamond 0.5560935E-03 Metallicity 0.5843543E+00 Ellipticity -0.1638027E+01 Gb(Abramov) 0.4705174E-02 Vb(Abramov) -0.3252219E-02 Hb(Abramov) 0.1452955E-02 Ex_ueg -0.8400578E-03 Ec_ueg -0.1986344E-03 Delta_ex -0.1130588E-02 Delta_ec 0.5138958E-03 Delta_et -0.3078472E-02 Pxc 0.4229166E+01 Qxc -0.2200033E+01 3,+1 75 3 +1 -0.042333 3.002997 -0.121264 Rho 0.5587020E-02 |GRAD(Rho)| 0.2321090E-12 GRAD(Rho)x 0.1868044E-12 GRAD(Rho)y 0.3169523E-13 GRAD(Rho)z -0.1340675E-12 Laplacian 0.2293087E-01 (-1/4)Del**2(Rho)) -0.5732718E-02 Diamond 0.6532630E-03 Metallicity 0.5286395E+00 Ellipticity -0.5548000E+01 Gb(Abramov) 0.4326902E-02 Vb(Abramov) -0.2921086E-02 Hb(Abramov) 0.1405816E-02 Ex_ueg -0.7321926E-03 Ec_ueg -0.1722615E-03 Delta_ex -0.1190952E-02 Delta_ec 0.7684286E-03 Delta_et -0.4296034E-02 Pxc 0.4250472E+01 Qxc -0.1549854E+01 3,+1 76 3 +1 2.123450 -0.035177 -2.020628 Rho 0.4496556E-02 |GRAD(Rho)| 0.1501377E-16 GRAD(Rho)x 0.5243020E-17 GRAD(Rho)y 0.1211598E-16 GRAD(Rho)z 0.7150306E-17 Laplacian 0.1836535E-01 (-1/4)Del**2(Rho)) -0.4591337E-02 Diamond 0.4024886E-03 Metallicity 0.4596360E+00 Ellipticity -0.4739882E+01 Gb(Abramov) 0.3412615E-02 Vb(Abramov) -0.2233894E-02 Hb(Abramov) 0.1178722E-02 Ex_ueg -0.5481403E-03 Ec_ueg -0.1253123E-03 Delta_ex -0.9280509E-03 Delta_ec 0.6377669E-03 Delta_et -0.3330559E-02 Pxc 0.4374194E+01 Qxc -0.1455157E+01 3,+1 77 3 +3 1.687090 -0.010410 -1.616830 Rho 0.3917314E-02 |GRAD(Rho)| 0.1013917E-16 GRAD(Rho)x -0.3791895E-17 GRAD(Rho)y -0.3597761E-17 GRAD(Rho)z 0.8687941E-17 Laplacian 0.1640243E-01 (-1/4)Del**2(Rho)) -0.4100607E-02 Diamond 0.1299862E-03 Metallicity 0.4089645E+00 Ellipticity -0.2339733E+00 Gb(Abramov) 0.3013238E-02 Vb(Abramov) -0.1925870E-02 Hb(Abramov) 0.1087369E-02 Ex_ueg -0.4560750E-03 Ec_ueg -0.1006221E-03 Delta_ex -0.5914846E-03 Delta_ec 0.1822611E-03 Delta_et -0.1057516E-02 Pxc 0.4532551E+01 Qxc -0.3245260E+01 3,+3 78 3 +1 -0.116575 2.075964 -1.644266 Rho 0.2313854E-01 |GRAD(Rho)| 0.4149048E-16 GRAD(Rho)x -0.1639699E-16 GRAD(Rho)y -0.3531160E-16 GRAD(Rho)z 0.1434189E-16 Laplacian 0.8930952E-01 (-1/4)Del**2(Rho)) -0.2232738E-01 Diamond 0.1092652E-01 Metallicity 0.1449691E+01 Ellipticity -0.4248657E+01 Gb(Abramov) 0.2027955E-01 Vb(Abramov) -0.1823172E-01 Hb(Abramov) 0.2047828E-02 Ex_ueg -0.4869671E-02 Ec_ueg -0.9954569E-03 Delta_ex -0.5492495E-02 Delta_ec 0.1607028E-02 Delta_et -0.1389199E-01 Pxc 0.4891896E+01 Qxc -0.3417796E+01 3,+1 79 3 -1 2.436495 -0.616336 -0.041279 Rho 0.2491526E-01 |GRAD(Rho)| 0.1949893E-16 GRAD(Rho)x -0.1717740E-16 GRAD(Rho)y 0.9226386E-17 GRAD(Rho)z 0.1373478E-18 Laplacian 0.9588989E-01 (-1/4)Del**2(Rho)) -0.2397247E-01 Diamond 0.1836676E-01 Metallicity 0.1527388E+01 Ellipticity 0.7175180E-01 Gb(Abramov) 0.2208419E-01 Vb(Abramov) -0.2019591E-01 Hb(Abramov) 0.1888279E-02 Ex_ueg -0.5374511E-02 Ec_ueg -0.1084449E-02 Delta_ex -0.6600349E-02 Delta_ec 0.2773276E-02 Delta_et -0.2419135E-01 Pxc 0.4955985E+01 Qxc -0.2379983E+01 3,-1 80 3 +3 1.789678 -0.073231 1.541700 Rho 0.3731597E-02 |GRAD(Rho)| 0.1786635E-14 GRAD(Rho)x 0.8556435E-15 GRAD(Rho)y 0.4870910E-15 GRAD(Rho)z -0.1490866E-14 Laplacian 0.1551858E-01 (-1/4)Del**2(Rho)) -0.3879646E-02 Diamond 0.1061204E-03 Metallicity 0.3986444E+00 Ellipticity -0.2449718E+00 Gb(Abramov) 0.2844197E-02 Vb(Abramov) -0.1808748E-02 Hb(Abramov) 0.1035449E-02 Ex_ueg -0.4274756E-03 Ec_ueg -0.9274339E-04 Delta_ex -0.5406144E-03 Delta_ec 0.1502883E-03 Delta_et -0.8871608E-03 Pxc 0.4609230E+01 Qxc -0.3597183E+01 3,+3 81 3 -1 2.701314 -1.988187 -1.528128 Rho 0.7447239E-01 |GRAD(Rho)| 0.9755156E-13 GRAD(Rho)x -0.7277072E-13 GRAD(Rho)y 0.2425233E-13 GRAD(Rho)z -0.6027066E-13 Laplacian 0.2974003E+00 (-1/4)Del**2(Rho)) -0.7435008E-01 Diamond 0.2553199E+00 Metallicity 0.3054433E+01 Ellipticity 0.9323103E-02 Gb(Abramov) 0.8741627E-01 Vb(Abramov) -0.1004825E+00 Hb(Abramov) -0.1306619E-01 Ex_ueg -0.2314082E-01 Ec_ueg -0.3806703E-02 Delta_ex -0.2700521E-01 Delta_ec 0.8661568E-02 Delta_et -0.1008633E+00 Pxc 0.6078968E+01 Qxc -0.3117820E+01 3,-1 82 3 -1 2.707702 -1.962730 1.507327 Rho 0.7059511E-01 |GRAD(Rho)| 0.1084996E-14 GRAD(Rho)x 0.6101365E-15 GRAD(Rho)y 0.7279469E-15 GRAD(Rho)z -0.5244451E-15 Laplacian 0.2847662E+00 (-1/4)Del**2(Rho)) -0.7119154E-01 Diamond 0.2298073E+00 Metallicity 0.2917981E+01 Ellipticity 0.1339861E-01 Gb(Abramov) 0.8208362E-01 Vb(Abramov) -0.9297570E-01 Hb(Abramov) -0.1089208E-01 Ex_ueg -0.2154854E-01 Ec_ueg -0.3581505E-02 Delta_ex -0.2556929E-01 Delta_ec 0.8417702E-02 Delta_et -0.9684238E-01 Pxc 0.6016616E+01 Qxc -0.3037561E+01 3,-1 83 3 +1 3.018136 -2.003180 -0.010987 Rho 0.1172082E-01 |GRAD(Rho)| 0.1790849E-16 GRAD(Rho)x -0.2683684E-17 GRAD(Rho)y -0.1401342E-17 GRAD(Rho)z -0.1765072E-16 Laplacian 0.5329180E-01 (-1/4)Del**2(Rho)) -0.1332295E-01 Diamond 0.1854598E-02 Metallicity 0.7820167E+00 Ellipticity -0.1246450E+01 Gb(Abramov) 0.1061843E-01 Vb(Abramov) -0.7913907E-02 Hb(Abramov) 0.2704522E-02 Ex_ueg -0.1966357E-02 Ec_ueg -0.4466964E-03 Delta_ex -0.2539815E-02 Delta_ec 0.5783330E-03 Delta_et -0.4399828E-02 Pxc 0.4401998E+01 Qxc -0.4391614E+01 3,+1 84 3 +3 2.663787 -1.789798 -0.007929 Rho 0.1096243E-01 |GRAD(Rho)| 0.8523482E-16 GRAD(Rho)x -0.6995972E-16 GRAD(Rho)y 0.4831361E-16 GRAD(Rho)z 0.6033798E-17 Laplacian 0.4850082E-01 (-1/4)Del**2(Rho)) -0.1212520E-01 Diamond 0.8859227E-03 Metallicity 0.7686147E+00 Ellipticity -0.3729665E+00 Gb(Abramov) 0.9636738E-02 Vb(Abramov) -0.7148272E-02 Hb(Abramov) 0.2488467E-02 Ex_ueg -0.1798570E-02 Ec_ueg -0.4118854E-03 Delta_ex -0.2057124E-02 Delta_ec 0.1458589E-03 Delta_et -0.1458355E-02 Pxc 0.4366676E+01 Qxc -0.1410351E+02 3,+3 85 3 +1 1.570046 0.435774 -0.796296 Rho 0.6724063E-02 |GRAD(Rho)| 0.1932162E-16 GRAD(Rho)x -0.1100493E-16 GRAD(Rho)y 0.5802376E-18 GRAD(Rho)z 0.1587072E-16 Laplacian 0.2739250E-01 (-1/4)Del**2(Rho)) -0.6848125E-02 Diamond 0.5782068E-03 Metallicity 0.6026074E+00 Ellipticity -0.1407990E+01 Gb(Abramov) 0.5253205E-02 Vb(Abramov) -0.3658285E-02 Hb(Abramov) 0.1594920E-02 Ex_ueg -0.9373335E-03 Ec_ueg -0.2218444E-03 Delta_ex -0.1210255E-02 Delta_ec 0.4454433E-03 Delta_et -0.2804635E-02 Pxc 0.4225183E+01 Qxc -0.2716969E+01 3,+1 86 3 +1 2.440382 -1.095517 -0.585829 Rho 0.2013421E-01 |GRAD(Rho)| 0.1161684E-15 GRAD(Rho)x -0.7885492E-16 GRAD(Rho)y 0.2682991E-16 GRAD(Rho)z 0.8097625E-16 Laplacian 0.7603444E-01 (-1/4)Del**2(Rho)) -0.1900861E-01 Diamond 0.7943672E-02 Metallicity 0.1350498E+01 Ellipticity -0.4678633E+01 Gb(Abramov) 0.1695092E-01 Vb(Abramov) -0.1489323E-01 Hb(Abramov) 0.2057689E-02 Ex_ueg -0.4045430E-02 Ec_ueg -0.8469968E-03 Delta_ex -0.4546272E-02 Delta_ec 0.1435053E-02 Delta_et -0.1195086E-01 Pxc 0.4776204E+01 Qxc -0.3168018E+01 3,+1 87 3 +1 2.349979 -1.238401 0.658558 Rho 0.1965572E-01 |GRAD(Rho)| 0.3499551E-16 GRAD(Rho)x -0.2932766E-16 GRAD(Rho)y -0.7710089E-18 GRAD(Rho)z -0.1907825E-16 Laplacian 0.7559431E-01 (-1/4)Del**2(Rho)) -0.1889858E-01 Diamond 0.8221654E-02 Metallicity 0.1304985E+01 Ellipticity -0.8266127E+01 Gb(Abramov) 0.1670945E-01 Vb(Abramov) -0.1452031E-01 Hb(Abramov) 0.2189132E-02 Ex_ueg -0.3917752E-02 Ec_ueg -0.8235981E-03 Delta_ex -0.4578794E-02 Delta_ec 0.1581760E-02 Delta_et -0.1303728E-01 Pxc 0.4756873E+01 Qxc -0.2894747E+01 3,+1 88 3 +3 -0.067775 2.234164 0.050603 Rho 0.4132794E-02 |GRAD(Rho)| 0.3069435E-15 GRAD(Rho)x 0.1731507E-16 GRAD(Rho)y -0.2167195E-15 GRAD(Rho)z -0.2166729E-15 Laplacian 0.1711357E-01 (-1/4)Del**2(Rho)) -0.4278392E-02 Diamond 0.1192692E-03 Metallicity 0.4285606E+00 Ellipticity -0.3379216E+00 Gb(Abramov) 0.3157853E-02 Vb(Abramov) -0.2037314E-02 Hb(Abramov) 0.1120539E-02 Ex_ueg -0.4898277E-03 Ec_ueg -0.1097864E-03 Delta_ex -0.5935131E-03 Delta_ec 0.1334385E-03 Delta_et -0.8509592E-03 Pxc 0.4461642E+01 Qxc -0.4447841E+01 3,+3 89 3 -1 3.625914 -0.832965 -0.754639 Rho 0.1760234E+00 |GRAD(Rho)| 0.2313106E-15 GRAD(Rho)x -0.1779447E-16 GRAD(Rho)y 0.1916327E-15 GRAD(Rho)z 0.1283153E-15 Laplacian 0.6727606E+00 (-1/4)Del**2(Rho)) -0.1681901E+00 Diamond 0.1642067E+01 Metallicity 0.5662871E+01 Ellipticity 0.5128862E-01 Gb(Abramov) 0.2708666E+00 Vb(Abramov) -0.3735431E+00 Hb(Abramov) -0.1026765E+00 Ex_ueg -0.7285829E-01 Ec_ueg -0.1012971E-01 Delta_ex -0.7509593E-01 Delta_ec 0.1624321E-01 Delta_et -0.2201667E+00 Pxc 0.7192534E+01 Qxc -0.4623218E+01 3,-1 90 3 -1 3.621540 -0.806871 0.686595 Rho 0.1755524E+00 |GRAD(Rho)| 0.2967500E-15 GRAD(Rho)x -0.7802868E-16 GRAD(Rho)y 0.1225691E-15 GRAD(Rho)z -0.2587448E-15 Laplacian 0.6659603E+00 (-1/4)Del**2(Rho)) -0.1664901E+00 Diamond 0.1621306E+01 Metallicity 0.5695207E+01 Ellipticity 0.4589203E-01 Gb(Abramov) 0.2690260E+00 Vb(Abramov) -0.3715618E+00 Hb(Abramov) -0.1025359E+00 Ex_ueg -0.7259847E-01 Ec_ueg -0.1009884E-01 Delta_ex -0.7429537E-01 Delta_ec 0.1610560E-01 Delta_et -0.2182831E+00 Pxc 0.7188794E+01 Qxc -0.4613014E+01 3,-1 91 3 +1 1.680237 0.400372 0.791023 Rho 0.5879776E-02 |GRAD(Rho)| 0.2927844E-16 GRAD(Rho)x -0.2269548E-16 GRAD(Rho)y 0.1271977E-16 GRAD(Rho)z 0.1342944E-16 Laplacian 0.2313227E-01 (-1/4)Del**2(Rho)) -0.5783068E-02 Diamond 0.4067652E-03 Metallicity 0.5705970E+00 Ellipticity -0.1392523E+01 Gb(Abramov) 0.4405345E-02 Vb(Abramov) -0.3027623E-02 Hb(Abramov) 0.1377722E-02 Ex_ueg -0.7837894E-03 Ec_ueg -0.1849674E-03 Delta_ex -0.9895420E-03 Delta_ec 0.3756935E-03 Delta_et -0.2281493E-02 Pxc 0.4237446E+01 Qxc -0.2633907E+01 3,+1 92 3 +1 -0.828646 1.394959 2.141365 Rho 0.2187992E-01 |GRAD(Rho)| 0.2272567E-15 GRAD(Rho)x 0.7914656E-16 GRAD(Rho)y -0.1576691E-15 GRAD(Rho)z 0.1432546E-15 Laplacian 0.8200066E-01 (-1/4)Del**2(Rho)) -0.2050017E-01 Diamond 0.8110220E-02 Metallicity 0.1438374E+01 Ellipticity -0.2504166E+01 Gb(Abramov) 0.1858126E-01 Vb(Abramov) -0.1666236E-01 Hb(Abramov) 0.1918904E-02 Ex_ueg -0.4519731E-02 Ec_ueg -0.9329435E-03 Delta_ex -0.4816340E-02 Delta_ec 0.1202160E-02 Delta_et -0.1032837E-01 Pxc 0.4844592E+01 Qxc -0.4006405E+01 3,+1 93 3 +1 -0.804533 1.667566 0.068101 Rho 0.6975887E-02 |GRAD(Rho)| 0.9737881E-17 GRAD(Rho)x -0.1392522E-17 GRAD(Rho)y 0.9137950E-17 GRAD(Rho)z 0.3063506E-17 Laplacian 0.2812051E-01 (-1/4)Del**2(Rho)) -0.7030128E-02 Diamond 0.6005200E-03 Metallicity 0.6241021E+00 Ellipticity -0.1390063E+01 Gb(Abramov) 0.5418005E-02 Vb(Abramov) -0.3805882E-02 Hb(Abramov) 0.1612123E-02 Ex_ueg -0.9844288E-03 Ec_ueg -0.2329098E-03 Delta_ex -0.1239536E-02 Delta_ec 0.4323949E-03 Delta_et -0.2768059E-02 Pxc 0.4226653E+01 Qxc -0.2866675E+01 3,+1 94 3 -1 -0.810263 0.814580 3.448110 Rho 0.1234445E+00 |GRAD(Rho)| 0.5612442E-13 GRAD(Rho)x 0.3227498E-13 GRAD(Rho)y -0.4528250E-13 GRAD(Rho)z 0.7600744E-14 Laplacian 0.4810079E+00 (-1/4)Del**2(Rho)) -0.1202520E+00 Diamond 0.7826699E+00 Metallicity 0.4384435E+01 Ellipticity 0.2803614E-01 Gb(Abramov) 0.1680408E+00 Vb(Abramov) -0.2158297E+00 Hb(Abramov) -0.4778885E-01 Ex_ueg -0.4539562E-01 Ec_ueg -0.6765941E-02 Delta_ex -0.4941740E-01 Delta_ec 0.1305485E-01 Delta_et -0.1690660E+00 Pxc 0.6709431E+01 Qxc -0.3785368E+01 3,-1 95 3 -1 -1.731311 2.787688 -0.854666 Rho 0.1336263E+00 |GRAD(Rho)| 0.1192645E-13 GRAD(Rho)x 0.5747556E-14 GRAD(Rho)y -0.5814061E-14 GRAD(Rho)z 0.8683457E-14 Laplacian 0.5496748E+00 (-1/4)Del**2(Rho)) -0.1374187E+00 Diamond 0.9774020E+00 Metallicity 0.4378519E+01 Ellipticity 0.1198437E-01 Gb(Abramov) 0.1918942E+00 Vb(Abramov) -0.2463697E+00 Hb(Abramov) -0.5447551E-01 Ex_ueg -0.5045540E-01 Ec_ueg -0.7403752E-02 Delta_ex -0.5748063E-01 Delta_ec 0.1450996E-01 Delta_et -0.1901820E+00 Pxc 0.6814843E+01 Qxc -0.3961460E+01 3,-1 96 3 -1 -0.925561 1.620233 -1.521164 Rho 0.3926820E-01 |GRAD(Rho)| 0.1366298E-15 GRAD(Rho)x 0.8641536E-16 GRAD(Rho)y -0.6674450E-16 GRAD(Rho)z -0.8212959E-16 Laplacian 0.1446888E+00 (-1/4)Del**2(Rho)) -0.3617220E-01 Diamond 0.5173706E-01 Metallicity 0.2160627E+01 Ellipticity 0.1127802E-01 Gb(Abramov) 0.3714058E-01 Vb(Abramov) -0.3810895E-01 Hb(Abramov) -0.9683748E-03 Ex_ueg -0.9857643E-02 Ec_ueg -0.1830869E-02 Delta_ex -0.1114891E-01 Delta_ec 0.4204406E-02 Delta_et -0.4156512E-01 Pxc 0.5384132E+01 Qxc -0.2651721E+01 3,-1 97 3 -1 -0.852566 1.690879 1.583300 Rho 0.2709577E-01 |GRAD(Rho)| 0.7813268E-16 GRAD(Rho)x 0.5243070E-16 GRAD(Rho)y -0.5200216E-16 GRAD(Rho)z -0.2552474E-16 Laplacian 0.1033671E+00 (-1/4)Del**2(Rho)) -0.2584177E-01 Diamond 0.2234132E-01 Metallicity 0.1629546E+01 Ellipticity 0.3934794E-01 Gb(Abramov) 0.2424624E-01 Vb(Abramov) -0.2265071E-01 Hb(Abramov) 0.1595533E-02 Ex_ueg -0.6010634E-02 Ec_ueg -0.1194801E-02 Delta_ex -0.7274963E-02 Delta_ec 0.3014554E-02 Delta_et -0.2691818E-01 Pxc 0.5030658E+01 Qxc -0.2413280E+01 3,-1 98 3 +1 0.007302 2.008485 -2.862049 Rho 0.1197699E-01 |GRAD(Rho)| 0.1814702E-16 GRAD(Rho)x 0.1646685E-18 GRAD(Rho)y -0.1105690E-16 GRAD(Rho)z -0.1438861E-16 Laplacian 0.5525940E-01 (-1/4)Del**2(Rho)) -0.1381485E-01 Diamond 0.1918595E-02 Metallicity 0.7818435E+00 Ellipticity -0.1212231E+01 Gb(Abramov) 0.1101008E-01 Vb(Abramov) -0.8205301E-02 Hb(Abramov) 0.2804775E-02 Ex_ueg -0.2023867E-02 Ec_ueg -0.4585069E-03 Delta_ex -0.2630897E-02 Delta_ec 0.5673433E-03 Delta_et -0.4367462E-02 Pxc 0.4414038E+01 Qxc -0.4637223E+01 3,+1 99 3 +1 -0.044484 3.004692 0.207960 Rho 0.5571997E-02 |GRAD(Rho)| 0.6026634E-17 GRAD(Rho)x -0.4726536E-17 GRAD(Rho)y 0.7569811E-18 GRAD(Rho)z 0.3661578E-17 Laplacian 0.2318914E-01 (-1/4)Del**2(Rho)) -0.5797286E-02 Diamond 0.6435259E-03 Metallicity 0.5204112E+00 Ellipticity -0.3699208E+01 Gb(Abramov) 0.4367686E-02 Vb(Abramov) -0.2938086E-02 Hb(Abramov) 0.1429600E-02 Ex_ueg -0.7295688E-03 Ec_ueg -0.1716106E-03 Delta_ex -0.1191923E-02 Delta_ec 0.7559794E-03 Delta_et -0.4230914E-02 Pxc 0.4251303E+01 Qxc -0.1576661E+01 3,+1 100 3 +1 -0.097632 2.066461 1.678953 Rho 0.1981369E-01 |GRAD(Rho)| 0.7606137E-15 GRAD(Rho)x -0.2733659E-15 GRAD(Rho)y 0.6567689E-15 GRAD(Rho)z 0.2691819E-15 Laplacian 0.7530621E-01 (-1/4)Del**2(Rho)) -0.1882655E-01 Diamond 0.7877889E-02 Metallicity 0.1327572E+01 Ellipticity -0.5128555E+01 Gb(Abramov) 0.1671663E-01 Vb(Abramov) -0.1460672E-01 Hb(Abramov) 0.2109918E-02 Ex_ueg -0.3959790E-02 Ec_ueg -0.8313152E-03 Delta_ex -0.4510978E-02 Delta_ec 0.1469289E-02 Delta_et -0.1216875E-01 Pxc 0.4763284E+01 Qxc -0.3070178E+01 3,+1 101 3 -1 0.801988 1.632998 -1.534993 Rho 0.3669590E-01 |GRAD(Rho)| 0.4579411E-16 GRAD(Rho)x -0.2993203E-17 GRAD(Rho)y 0.4378631E-16 GRAD(Rho)z -0.1307289E-16 Laplacian 0.1376171E+00 (-1/4)Del**2(Rho)) -0.3440427E-01 Diamond 0.4462206E-01 Metallicity 0.2029100E+01 Ellipticity 0.2322232E-01 Gb(Abramov) 0.3457113E-01 Vb(Abramov) -0.3473799E-01 Hb(Abramov) -0.1668603E-03 Ex_ueg -0.9006204E-02 Ec_ueg -0.1693887E-02 Delta_ex -0.1041070E-01 Delta_ec 0.3971098E-02 Delta_et -0.3854610E-01 Pxc 0.5316886E+01 Qxc -0.2621617E+01 3,-1 102 3 +1 0.686111 1.622575 0.012064 Rho 0.7642154E-02 |GRAD(Rho)| 0.1538870E-16 GRAD(Rho)x 0.6333220E-17 GRAD(Rho)y 0.1064653E-16 GRAD(Rho)z 0.9129827E-17 Laplacian 0.3199628E-01 (-1/4)Del**2(Rho)) -0.7999070E-02 Diamond 0.7560633E-03 Metallicity 0.6385672E+00 Ellipticity -0.1365577E+01 Gb(Abramov) 0.6184037E-02 Vb(Abramov) -0.4369005E-02 Hb(Abramov) 0.1815033E-02 Ex_ueg -0.1111747E-02 Ec_ueg -0.2623294E-03 Delta_ex -0.1433131E-02 Delta_ec 0.4756519E-03 Delta_et -0.3132126E-02 Pxc 0.4237982E+01 Qxc -0.3012982E+01 3,+1 103 3 -1 0.882187 1.591961 1.557300 Rho 0.3517851E-01 |GRAD(Rho)| 0.6629398E-16 GRAD(Rho)x 0.6088018E-16 GRAD(Rho)y 0.2132903E-16 GRAD(Rho)z 0.1528296E-16 Laplacian 0.1299834E+00 (-1/4)Del**2(Rho)) -0.3249585E-01 Diamond 0.3948295E-01 Metallicity 0.2002263E+01 Ellipticity 0.9536518E-01 Gb(Abramov) 0.3250810E-01 Vb(Abramov) -0.3252036E-01 Hb(Abramov) -0.1225682E-04 Ex_ueg -0.8513113E-02 Ec_ueg -0.1613686E-02 Delta_ex -0.9709575E-02 Delta_ec 0.3713560E-02 Delta_et -0.3563472E-01 Pxc 0.5275570E+01 Qxc -0.2614627E+01 3,-1 104 3 +1 0.640361 1.121747 2.343660 Rho 0.2547792E-01 |GRAD(Rho)| 0.2219765E-15 GRAD(Rho)x -0.2741766E-16 GRAD(Rho)y 0.2201877E-15 GRAD(Rho)z -0.6262325E-17 Laplacian 0.1035238E+00 (-1/4)Del**2(Rho)) -0.2588095E-01 Diamond 0.1530683E-01 Metallicity 0.1468406E+01 Ellipticity -0.6842214E+01 Gb(Abramov) 0.2358792E-01 Vb(Abramov) -0.2129490E-01 Hb(Abramov) 0.2293025E-02 Ex_ueg -0.5536946E-02 Ec_ueg -0.1112807E-02 Delta_ex -0.6620543E-02 Delta_ec 0.2023205E-02 Delta_et -0.1788379E-01 Pxc 0.4975659E+01 Qxc -0.3272305E+01 3,+1 105 3 +1 0.530628 0.978377 -2.447311 Rho 0.2192918E-01 |GRAD(Rho)| 0.2811454E-16 GRAD(Rho)x -0.1199179E-16 GRAD(Rho)y -0.1967810E-16 GRAD(Rho)z -0.1610580E-16 Laplacian 0.8250385E-01 (-1/4)Del**2(Rho)) -0.2062596E-01 Diamond 0.8388608E-02 Metallicity 0.1434970E+01 Ellipticity -0.2614328E+01 Gb(Abramov) 0.1868358E-01 Vb(Abramov) -0.1674120E-01 Hb(Abramov) 0.1942381E-02 Ex_ueg -0.4533304E-02 Ec_ueg -0.9353818E-03 Delta_ex -0.4875136E-02 Delta_ec 0.1256478E-02 Delta_et -0.1078351E-01 Pxc 0.4846475E+01 Qxc -0.3880000E+01 3,+1 106 3 +3 -0.050559 1.815328 2.540573 Rho 0.1132294E-01 |GRAD(Rho)| 0.1353663E-14 GRAD(Rho)x 0.6200508E-16 GRAD(Rho)y -0.8931943E-15 GRAD(Rho)z -0.1015265E-14 Laplacian 0.5103011E-01 (-1/4)Del**2(Rho)) -0.1275753E-01 Diamond 0.9563794E-03 Metallicity 0.7709958E+00 Ellipticity -0.5093493E+00 Gb(Abramov) 0.1014435E-01 Vb(Abramov) -0.7531176E-02 Hb(Abramov) 0.2613176E-02 Ex_ueg -0.1877864E-02 Ec_ueg -0.4284045E-03 Delta_ex -0.2179320E-02 Delta_ec 0.1428355E-03 Delta_et -0.1467069E-02 Pxc 0.4383389E+01 Qxc -0.1525755E+02 3,+3 107 3 +3 1.568585 0.946545 0.052856 Rho 0.3866593E-02 |GRAD(Rho)| 0.8418796E-17 GRAD(Rho)x -0.1193059E-17 GRAD(Rho)y 0.2583755E-17 GRAD(Rho)z 0.7923190E-17 Laplacian 0.1567060E-01 (-1/4)Del**2(Rho)) -0.3917649E-02 Diamond 0.9226104E-04 Metallicity 0.4188660E+00 Ellipticity -0.3137263E+00 Gb(Abramov) 0.2885261E-02 Vb(Abramov) -0.1852873E-02 Hb(Abramov) 0.1032388E-02 Ex_ueg -0.4482184E-03 Ec_ueg -0.9846857E-04 Delta_ex -0.5243711E-03 Delta_ec 0.1046296E-03 Delta_et -0.6863153E-03 Pxc 0.4551893E+01 Qxc -0.5011691E+01 3,+3 108 3 +1 2.524872 1.782775 0.056783 Rho 0.1244603E-01 |GRAD(Rho)| 0.1223650E-16 GRAD(Rho)x -0.2329645E-17 GRAD(Rho)y 0.7419080E-17 GRAD(Rho)z -0.9447857E-17 Laplacian 0.6118738E-01 (-1/4)Del**2(Rho)) -0.1529684E-01 Diamond 0.2539201E-02 Metallicity 0.7527826E+00 Ellipticity -0.1278679E+01 Gb(Abramov) 0.1211710E-01 Vb(Abramov) -0.8937347E-02 Hb(Abramov) 0.3179748E-02 Ex_ueg -0.2130229E-02 Ec_ueg -0.4801984E-03 Delta_ex -0.3026178E-02 Delta_ec 0.7753118E-03 Delta_et -0.5879814E-02 Pxc 0.4436144E+01 Qxc -0.3903176E+01 3,+1 109 3 -1 1.522393 1.962741 -2.686030 Rho 0.1777619E+00 |GRAD(Rho)| 0.4646005E-11 GRAD(Rho)x -0.7947206E-12 GRAD(Rho)y -0.2543966E-11 GRAD(Rho)z -0.3805525E-11 Laplacian 0.6898565E+00 (-1/4)Del**2(Rho)) -0.1724641E+00 Diamond 0.1713102E+01 Metallicity 0.5613738E+01 Ellipticity 0.4310000E-01 Gb(Abramov) 0.2763375E+00 Vb(Abramov) -0.3802109E+00 Hb(Abramov) -0.1038734E+00 Ex_ueg -0.7381930E-01 Ec_ueg -0.1024377E-01 Delta_ex -0.7726883E-01 Delta_ec 0.1674512E-01 Delta_et -0.2275971E+00 Pxc 0.7206261E+01 Qxc -0.4614410E+01 3,-1 110 3 -1 2.361473 1.809426 -1.523492 Rho 0.1437487E+00 |GRAD(Rho)| 0.2399785E-14 GRAD(Rho)x 0.1908792E-14 GRAD(Rho)y -0.1395558E-14 GRAD(Rho)z -0.4097539E-15 Laplacian 0.6031419E+00 (-1/4)Del**2(Rho)) -0.1507855E+00 Diamond 0.1163047E+01 Metallicity 0.4506787E+01 Ellipticity 0.1510026E-01 Gb(Abramov) 0.2137833E+00 Vb(Abramov) -0.2767812E+00 Hb(Abramov) -0.6299785E-01 Ex_ueg -0.5561481E-01 Ec_ueg -0.8044552E-02 Delta_ex -0.6411738E-01 Delta_ec 0.1549685E-01 Delta_et -0.2051136E+00 Pxc 0.6913351E+01 Qxc -0.4137446E+01 3,-1 111 3 -1 2.465947 1.797847 1.584888 Rho 0.1753104E+00 |GRAD(Rho)| 0.1899726E-13 GRAD(Rho)x -0.1148563E-13 GRAD(Rho)y 0.1394105E-13 GRAD(Rho)z 0.5884141E-14 Laplacian 0.7234526E+00 (-1/4)Del**2(Rho)) -0.1808632E+00 Diamond 0.1757153E+01 Metallicity 0.5230573E+01 Ellipticity 0.3265170E-01 Gb(Abramov) 0.2782451E+00 Vb(Abramov) -0.3756270E+00 Hb(Abramov) -0.9738194E-01 Ex_ueg -0.7246507E-01 Ec_ueg -0.1008298E-01 Delta_ex -0.8067157E-01 Delta_ec 0.1748492E-01 Delta_et -0.2368917E+00 Pxc 0.7186869E+01 Qxc -0.4613779E+01 3,-1 112 3 -1 2.333721 3.166769 2.222683 Rho 0.2273695E+00 |GRAD(Rho)| 0.1273992E-13 GRAD(Rho)x -0.1258238E-13 GRAD(Rho)y -0.1277624E-14 GRAD(Rho)z -0.1535230E-14 Laplacian 0.8288421E+00 (-1/4)Del**2(Rho)) -0.2072105E+00 Diamond 0.2755645E+01 Metallicity 0.7041984E+01 Ellipticity 0.3449505E-02 Gb(Abramov) 0.3813359E+00 Vb(Abramov) -0.5554613E+00 Hb(Abramov) -0.1741254E+00 Ex_ueg -0.1024931E+00 Ec_ueg -0.1357037E-01 Delta_ex -0.9879214E-01 Delta_ec 0.1869285E-01 Delta_et -0.2587273E+00 Pxc 0.7552711E+01 Qxc -0.5285022E+01 3,-1 113 3 -1 -2.332545 3.185217 -2.219730 Rho 0.2262556E+00 |GRAD(Rho)| 0.9525787E-14 GRAD(Rho)x 0.3832113E-14 GRAD(Rho)y -0.8060718E-14 GRAD(Rho)z 0.3328718E-14 Laplacian 0.8324241E+00 (-1/4)Del**2(Rho)) -0.2081060E+00 Diamond 0.2749961E+01 Metallicity 0.6954525E+01 Ellipticity 0.1238050E-01 Gb(Abramov) 0.3799504E+00 Vb(Abramov) -0.5517949E+00 Hb(Abramov) -0.1718444E+00 Ex_ueg -0.1018242E+00 Ec_ueg -0.1349418E-01 Delta_ex -0.9908540E-01 Delta_ec 0.1878695E-01 Delta_et -0.2599107E+00 Pxc 0.7545784E+01 Qxc -0.5274160E+01 3,-1 114 3 -1 -2.269538 3.328073 2.261429 Rho 0.2205611E+00 |GRAD(Rho)| 0.1469790E-10 GRAD(Rho)x -0.8477827E-11 GRAD(Rho)y 0.1060200E-10 GRAD(Rho)z 0.5634919E-11 Laplacian 0.7857637E+00 (-1/4)Del**2(Rho)) -0.1964409E+00 Diamond 0.2531338E+01 Metallicity 0.7061053E+01 Ellipticity 0.2559215E-02 Gb(Abramov) 0.3621406E+00 Vb(Abramov) -0.5278402E+00 Hb(Abramov) -0.1656997E+00 Ex_ueg -0.9842158E-01 Ec_ueg -0.1310572E-01 Delta_ex -0.9299906E-01 Delta_ec 0.1801172E-01 Delta_et -0.2494242E+00 Pxc 0.7509819E+01 Qxc -0.5163252E+01 3,-1 115 3 -1 -1.696894 2.861855 0.901103 Rho 0.1324783E+00 |GRAD(Rho)| 0.7166089E-13 GRAD(Rho)x 0.4185938E-13 GRAD(Rho)y 0.4917284E-13 GRAD(Rho)z -0.3106617E-13 Laplacian 0.5438484E+00 (-1/4)Del**2(Rho)) -0.1359621E+00 Diamond 0.9372087E+00 Metallicity 0.4362241E+01 Ellipticity 0.2125190E-01 Gb(Abramov) 0.1894913E+00 Vb(Abramov) -0.2430205E+00 Hb(Abramov) -0.5352921E-01 Ex_ueg -0.4987825E-01 Ec_ueg -0.7331491E-02 Delta_ex -0.5651961E-01 Delta_ec 0.1396898E-01 Delta_et -0.1820465E+00 Pxc 0.6803288E+01 Qxc -0.4046079E+01 3,-1 116 3 -1 0.594830 -0.634062 3.166515 Rho 0.1424987E+00 |GRAD(Rho)| 0.1851997E-15 GRAD(Rho)x 0.6654291E-16 GRAD(Rho)y -0.1717376E-15 GRAD(Rho)z -0.1942077E-16 Laplacian 0.5835923E+00 (-1/4)Del**2(Rho)) -0.1458981E+00 Diamond 0.1123243E+01 Metallicity 0.4590446E+01 Ellipticity 0.9292817E-02 Gb(Abramov) 0.2088883E+00 Vb(Abramov) -0.2718785E+00 Hb(Abramov) -0.6299019E-01 Ex_ueg -0.5497089E-01 Ec_ueg -0.7965063E-02 Delta_ex -0.6200980E-01 Delta_ec 0.1521023E-01 Delta_et -0.2014526E+00 Pxc 0.6901501E+01 Qxc -0.4076849E+01 3,-1 117 3 -1 0.612088 -0.643434 -3.204532 Rho 0.1297985E+00 |GRAD(Rho)| 0.1618096E-15 GRAD(Rho)x 0.1442124E-15 GRAD(Rho)y -0.6583818E-16 GRAD(Rho)z -0.3241087E-16 Laplacian 0.5321366E+00 (-1/4)Del**2(Rho)) -0.1330342E+00 Diamond 0.9053975E+00 Metallicity 0.4308962E+01 Ellipticity 0.6771157E-02 Gb(Abramov) 0.1842293E+00 Vb(Abramov) -0.2354245E+00 Hb(Abramov) -0.5119515E-01 Ex_ueg -0.4853755E-01 Ec_ueg -0.7163159E-02 Delta_ex -0.5515751E-01 Delta_ec 0.1396467E-01 Delta_et -0.1818403E+00 Pxc 0.6775998E+01 Qxc -0.3949790E+01 3,-1 118 3 -1 0.404953 -0.524700 -0.016825 Rho 0.1795679E+00 |GRAD(Rho)| 0.6050873E-14 GRAD(Rho)x -0.5174580E-14 GRAD(Rho)y 0.3105235E-14 GRAD(Rho)z 0.4407893E-15 Laplacian 0.4925340E+00 (-1/4)Del**2(Rho)) -0.1231335E+00 Diamond 0.1380264E+01 Metallicity 0.7996342E+01 Ellipticity 0.5762389E-02 Gb(Abramov) 0.2461919E+00 Vb(Abramov) -0.3692503E+00 Hb(Abramov) -0.1230584E+00 Ex_ueg -0.7482095E-01 Ec_ueg -0.1036245E-01 Delta_ex -0.5642233E-01 Delta_ec 0.1391376E-01 Delta_et -0.1952425E+00 Pxc 0.7220393E+01 Qxc -0.4055145E+01 3,-1 119 3 -1 2.072583 -3.013666 -0.797843 Rho 0.1393810E+00 |GRAD(Rho)| 0.1095881E-13 GRAD(Rho)x -0.2479211E-14 GRAD(Rho)y 0.4768355E-14 GRAD(Rho)z -0.9550493E-14 Laplacian 0.5403289E+00 (-1/4)Del**2(Rho)) -0.1350822E+00 Diamond 0.1016351E+01 Metallicity 0.4778529E+01 Ellipticity 0.3839320E-01 Gb(Abramov) 0.1976372E+00 Vb(Abramov) -0.2601922E+00 Hb(Abramov) -0.6255497E-01 Ex_ueg -0.5337318E-01 Ec_ueg -0.7767249E-02 Delta_ex -0.5714508E-01 Delta_ec 0.1422997E-01 Delta_et -0.1879795E+00 Pxc 0.6871569E+01 Qxc -0.4015827E+01 3,-1 120 3 -1 2.083185 -3.005132 0.802733 Rho 0.1275795E+00 |GRAD(Rho)| 0.1824884E-15 GRAD(Rho)x 0.1348138E-16 GRAD(Rho)y -0.6014273E-16 GRAD(Rho)z -0.1717647E-15 Laplacian 0.4887888E+00 (-1/4)Del**2(Rho)) -0.1221972E+00 Diamond 0.8189567E+00 Metallicity 0.4558199E+01 Ellipticity 0.4054867E-01 Gb(Abramov) 0.1742980E+00 Vb(Abramov) -0.2263988E+00 Hb(Abramov) -0.5210079E-01 Ex_ueg -0.4743433E-01 Ec_ueg -0.7024130E-02 Delta_ex -0.5050842E-01 Delta_ec 0.1297634E-01 Delta_et -0.1686698E+00 Pxc 0.6753055E+01 Qxc -0.3892347E+01 3,-1 121 3 -1 1.473549 -1.811080 0.830871 Rho 0.4205444E-01 |GRAD(Rho)| 0.4009962E-14 GRAD(Rho)x 0.9186788E-15 GRAD(Rho)y -0.2679142E-14 GRAD(Rho)z 0.2838666E-14 Laplacian 0.1602731E+00 (-1/4)Del**2(Rho)) -0.4006828E-01 Diamond 0.6538882E-01 Metallicity 0.2186615E+01 Ellipticity 0.3241337E-01 Gb(Abramov) 0.4131450E-01 Vb(Abramov) -0.4256072E-01 Hb(Abramov) -0.1246221E-02 Ex_ueg -0.1080109E-01 Ec_ueg -0.1980625E-02 Delta_ex -0.1269724E-01 Delta_ec 0.4895330E-02 Delta_et -0.4932736E-01 Pxc 0.5453374E+01 Qxc -0.2593745E+01 3,-1 122 3 -1 2.263954 -3.191601 -2.303547 Rho 0.2231019E+00 |GRAD(Rho)| 0.2140415E-10 GRAD(Rho)x 0.1135673E-10 GRAD(Rho)y -0.1238756E-10 GRAD(Rho)z -0.1325558E-10 Laplacian 0.8312247E+00 (-1/4)Del**2(Rho)) -0.2078062E+00 Diamond 0.2693860E+01 Metallicity 0.6803520E+01 Ellipticity 0.1778448E-01 Gb(Abramov) 0.3741730E+00 Vb(Abramov) -0.5405399E+00 Hb(Abramov) -0.1663669E+00 Ex_ueg -0.9993621E-01 Ec_ueg -0.1327883E-01 Delta_ex -0.9854740E-01 Delta_ec 0.1877108E-01 Delta_et -0.2592398E+00 Pxc 0.7525982E+01 Qxc -0.5249958E+01 3,-1 123 3 +1 1.716001 -2.211013 0.173744 Rho 0.2672885E-01 |GRAD(Rho)| 0.2803541E-16 GRAD(Rho)x -0.7065521E-17 GRAD(Rho)y 0.1868725E-16 GRAD(Rho)z -0.1966849E-16 Laplacian 0.1050480E+00 (-1/4)Del**2(Rho)) -0.2626199E-01 Diamond 0.1464329E-01 Metallicity 0.1567446E+01 Ellipticity -0.3479213E+01 Gb(Abramov) 0.2436871E-01 Vb(Abramov) -0.2247542E-01 Hb(Abramov) 0.1893288E-02 Ex_ueg -0.5902357E-02 Ec_ueg -0.1176147E-02 Delta_ex -0.6609589E-02 Delta_ec 0.1707922E-02 Delta_et -0.1533705E-01 Pxc 0.5018383E+01 Qxc -0.3869958E+01 3,+1 124 3 -1 2.302301 -3.161572 2.305829 Rho 0.2132024E+00 |GRAD(Rho)| 0.3803668E-14 GRAD(Rho)x 0.1987641E-14 GRAD(Rho)y -0.3242307E-14 GRAD(Rho)z 0.6797948E-16 Laplacian 0.7844562E+00 (-1/4)Del**2(Rho)) -0.1961141E+00 Diamond 0.2412967E+01 Metallicity 0.6683920E+01 Ellipticity 0.1768124E-01 Gb(Abramov) 0.3492112E+00 Vb(Abramov) -0.5023082E+00 Hb(Abramov) -0.1530971E+00 Ex_ueg -0.9406784E-01 Ec_ueg -0.1260638E-01 Delta_ex -0.9195464E-01 Delta_ec 0.1800848E-01 Delta_et -0.2482854E+00 Pxc 0.7461925E+01 Qxc -0.5106185E+01 3,-1 125 3 -1 -2.481792 1.832601 -1.568412 Rho 0.2087414E+00 |GRAD(Rho)| 0.4187109E-13 GRAD(Rho)x 0.2472013E-13 GRAD(Rho)y 0.3305461E-13 GRAD(Rho)z -0.7035307E-14 Laplacian 0.8128901E+00 (-1/4)Del**2(Rho)) -0.2032225E+00 Diamond 0.2411302E+01 Metallicity 0.6226761E+01 Ellipticity 0.1922295E-01 Gb(Abramov) 0.3463847E+00 Vb(Abramov) -0.4895469E+00 Hb(Abramov) -0.1431622E+00 Ex_ueg -0.9145268E-01 Ec_ueg -0.1230512E-01 Delta_ex -0.9460212E-01 Delta_ec 0.1847019E-01 Delta_et -0.2531766E+00 Pxc 0.7432083E+01 Qxc -0.5121881E+01 3,-1 126 3 -1 -2.422599 1.955756 1.585504 Rho 0.1301003E+00 |GRAD(Rho)| 0.4394518E-13 GRAD(Rho)x 0.2265336E-13 GRAD(Rho)y 0.3268939E-13 GRAD(Rho)z 0.1869246E-13 Laplacian 0.4836045E+00 (-1/4)Del**2(Rho)) -0.1209011E+00 Diamond 0.8285447E+00 Metallicity 0.4759780E+01 Ellipticity 0.1104003E+00 Gb(Abramov) 0.1765112E+00 Vb(Abramov) -0.2321213E+00 Hb(Abramov) -0.5561007E-01 Ex_ueg -0.4868811E-01 Ec_ueg -0.7182096E-02 Delta_ex -0.5019631E-01 Delta_ec 0.1275759E-01 Delta_et -0.1663225E+00 Pxc 0.6779095E+01 Qxc -0.3934623E+01 3,-1 127 3 -1 -0.843523 2.941602 -1.949554 Rho 0.1089328E+00 |GRAD(Rho)| 0.1304730E-12 GRAD(Rho)x -0.1171890E-12 GRAD(Rho)y -0.5589859E-13 GRAD(Rho)z 0.1285633E-13 Laplacian 0.4411399E+00 (-1/4)Del**2(Rho)) -0.1102850E+00 Diamond 0.6047604E+00 Metallicity 0.3881215E+01 Ellipticity 0.1401007E-01 Gb(Abramov) 0.1448632E+00 Vb(Abramov) -0.1794415E+00 Hb(Abramov) -0.3457828E-01 Ex_ueg -0.3842345E-01 Ec_ueg -0.5869272E-02 Delta_ex -0.4380691E-01 Delta_ec 0.1197278E-01 Delta_et -0.1510697E+00 Pxc 0.6546544E+01 Qxc -0.3658874E+01 3,-1 128 3 -1 -0.807854 3.037231 2.003752 Rho 0.1498155E+00 |GRAD(Rho)| 0.2174085E-15 GRAD(Rho)x -0.1637687E-15 GRAD(Rho)y 0.1427555E-15 GRAD(Rho)z -0.8190809E-17 Laplacian 0.6033878E+00 (-1/4)Del**2(Rho)) -0.1508469E+00 Diamond 0.1200115E+01 Metallicity 0.4826267E+01 Ellipticity 0.6249859E-01 Gb(Abramov) 0.2219026E+00 Vb(Abramov) -0.2929582E+00 Hb(Abramov) -0.7105563E-01 Ex_ueg -0.5876618E-01 Ec_ueg -0.8431706E-02 Delta_ex -0.6457059E-01 Delta_ec 0.1494269E-01 Delta_et -0.1980277E+00 Pxc 0.6969667E+01 Qxc -0.4321215E+01 3,-1 129 3 -1 -0.090292 0.386529 -2.374528 Rho 0.3945281E-01 |GRAD(Rho)| 0.3753890E-15 GRAD(Rho)x -0.1869784E-16 GRAD(Rho)y -0.1356123E-15 GRAD(Rho)z -0.3495377E-15 Laplacian 0.1495796E+00 (-1/4)Del**2(Rho)) -0.3739490E-01 Diamond 0.5607788E-01 Metallicity 0.2106383E+01 Ellipticity 0.2462709E-01 Gb(Abramov) 0.3805793E-01 Vb(Abramov) -0.3872097E-01 Hb(Abramov) -0.6630320E-03 Ex_ueg -0.9919483E-02 Ec_ueg -0.1840748E-02 Delta_ex -0.1167221E-01 Delta_ec 0.4583814E-02 Delta_et -0.4539883E-01 Pxc 0.5388831E+01 Qxc -0.2546397E+01 3,-1 130 3 -1 0.666135 0.776586 -3.466502 Rho 0.7901479E-01 |GRAD(Rho)| 0.6591501E-14 GRAD(Rho)x -0.4616372E-14 GRAD(Rho)y -0.4661747E-14 GRAD(Rho)z -0.6364786E-15 Laplacian 0.3205711E+00 (-1/4)Del**2(Rho)) -0.8014279E-01 Diamond 0.2963108E+00 Metallicity 0.3127539E+01 Ellipticity 0.1401182E-01 Gb(Abramov) 0.9520347E-01 Vb(Abramov) -0.1102642E+00 Hb(Abramov) -0.1506069E-01 Ex_ueg -0.2504165E-01 Ec_ueg -0.4072491E-02 Delta_ex -0.2951512E-01 Delta_ec 0.9249111E-02 Delta_et -0.1091736E+00 Pxc 0.6148976E+01 Qxc -0.3191130E+01 3,-1 131 3 -1 -0.003668 -0.092828 -4.498935 Rho 0.2133495E+00 |GRAD(Rho)| 0.6910039E-15 GRAD(Rho)x -0.2536288E-15 GRAD(Rho)y -0.1002480E-15 GRAD(Rho)z 0.6349088E-15 Laplacian 0.7818513E+00 (-1/4)Del**2(Rho)) -0.1954628E+00 Diamond 0.2409232E+01 Metallicity 0.6713902E+01 Ellipticity 0.1701250E-01 Gb(Abramov) 0.3490283E+00 Vb(Abramov) -0.5025937E+00 Hb(Abramov) -0.1535654E+00 Ex_ueg -0.9415438E-01 Ec_ueg -0.1261633E-01 Delta_ex -0.9167977E-01 Delta_ec 0.1797057E-01 Delta_et -0.2478698E+00 Pxc 0.7462899E+01 Qxc -0.5101661E+01 3,-1 132 3 -1 -0.078198 0.370048 2.343961 Rho 0.5359911E-01 |GRAD(Rho)| 0.8694481E-16 GRAD(Rho)x 0.9940937E-17 GRAD(Rho)y 0.6201552E-17 GRAD(Rho)z -0.8615172E-16 Laplacian 0.2018008E+00 (-1/4)Del**2(Rho)) -0.5045020E-01 Diamond 0.1121259E+00 Metallicity 0.2601874E+01 Ellipticity 0.2166959E-01 Gb(Abramov) 0.5551098E-01 Vb(Abramov) -0.6057175E-01 Hb(Abramov) -0.5060775E-02 Ex_ueg -0.1492549E-01 Ec_ueg -0.2614764E-02 Delta_ex -0.1689254E-01 Delta_ec 0.5987916E-02 Delta_et -0.6428373E-01 Pxc 0.5708157E+01 Qxc -0.2821106E+01 3,-1 133 3 -1 0.955861 -3.049208 1.716607 Rho 0.2171523E+00 |GRAD(Rho)| 0.8240577E-14 GRAD(Rho)x 0.7283616E-14 GRAD(Rho)y 0.3841681E-14 GRAD(Rho)z 0.3123027E-15 Laplacian 0.8363879E+00 (-1/4)Del**2(Rho)) -0.2090970E+00 Diamond 0.2597726E+01 Metallicity 0.6463677E+01 Ellipticity 0.1073519E-01 Gb(Abramov) 0.3646538E+00 Vb(Abramov) -0.5202107E+00 Hb(Abramov) -0.1555569E+00 Ex_ueg -0.9639868E-01 Ec_ueg -0.1287404E-01 Delta_ex -0.9830987E-01 Delta_ec 0.1874965E-01 Delta_et -0.2574455E+00 Pxc 0.7487836E+01 Qxc -0.5243292E+01 3,-1 134 3 -1 0.838243 2.950985 1.989888 Rho 0.1112254E+00 |GRAD(Rho)| 0.7524265E-16 GRAD(Rho)x -0.4737963E-16 GRAD(Rho)y 0.5799804E-16 GRAD(Rho)z -0.7270084E-17 Laplacian 0.4442765E+00 (-1/4)Del**2(Rho)) -0.1110691E+00 Diamond 0.6324114E+00 Metallicity 0.3989940E+01 Ellipticity 0.1123039E-01 Gb(Abramov) 0.1479059E+00 Vb(Abramov) -0.1847428E+00 Hb(Abramov) -0.3683682E-01 Ex_ueg -0.3950544E-01 Ec_ueg -0.6009924E-02 Delta_ex -0.4445302E-01 Delta_ec 0.1220965E-01 Delta_et -0.1549594E+00 Pxc 0.6573368E+01 Qxc -0.3640811E+01 3,-1 135 3 -1 0.788575 2.961128 -1.961953 Rho 0.1574453E+00 |GRAD(Rho)| 0.1067787E-15 GRAD(Rho)x 0.8036649E-16 GRAD(Rho)y 0.6242294E-16 GRAD(Rho)z -0.3234649E-16 Laplacian 0.6185355E+00 (-1/4)Del**2(Rho)) -0.1546339E+00 Diamond 0.1332286E+01 Metallicity 0.5114440E+01 Ellipticity 0.3427284E-01 Gb(Abramov) 0.2349002E+00 Vb(Abramov) -0.3151665E+00 Hb(Abramov) -0.8026633E-01 Ex_ueg -0.6279013E-01 Ec_ueg -0.8921812E-02 Delta_ex -0.6725802E-01 Delta_ec 0.1556683E-01 Delta_et -0.2087377E+00 Pxc 0.7037822E+01 Qxc -0.4320598E+01 3,-1 136 3 -1 1.514613 1.960416 2.697191 Rho 0.1695540E+00 |GRAD(Rho)| 0.2405983E-15 GRAD(Rho)x 0.2015261E-16 GRAD(Rho)y -0.1803299E-15 GRAD(Rho)z 0.1579954E-15 Laplacian 0.6564642E+00 (-1/4)Del**2(Rho)) -0.1641161E+00 Diamond 0.1541212E+01 Metallicity 0.5452331E+01 Ellipticity 0.3972994E-01 Gb(Abramov) 0.2585466E+00 Vb(Abramov) -0.3529771E+00 Hb(Abramov) -0.9443051E-01 Ex_ueg -0.6930999E-01 Ec_ueg -0.9706789E-02 Delta_ex -0.7267132E-01 Delta_ec 0.1614696E-01 Delta_et -0.2183497E+00 Pxc 0.7140363E+01 Qxc -0.4500620E+01 3,-1 137 3 -1 1.629808 2.746429 -0.850949 Rho 0.1273923E+00 |GRAD(Rho)| 0.2380319E-15 GRAD(Rho)x -0.8074765E-17 GRAD(Rho)y 0.6493355E-16 GRAD(Rho)z 0.2288615E-15 Laplacian 0.5314168E+00 (-1/4)Del**2(Rho)) -0.1328542E+00 Diamond 0.8895095E+00 Metallicity 0.4182312E+01 Ellipticity 0.1521045E-01 Gb(Abramov) 0.1811758E+00 Vb(Abramov) -0.2294973E+00 Hb(Abramov) -0.4832156E-01 Ex_ueg -0.4734156E-01 Ec_ueg -0.7012417E-02 Delta_ex -0.5490265E-01 Delta_ec 0.1412842E-01 Delta_et -0.1836277E+00 Pxc 0.6751104E+01 Qxc -0.3885974E+01 3,-1 138 3 -1 1.674937 2.729136 0.896059 Rho 0.1497408E+00 |GRAD(Rho)| 0.1014987E-15 GRAD(Rho)x 0.3080828E-16 GRAD(Rho)y -0.4131488E-16 GRAD(Rho)z 0.8744091E-16 Laplacian 0.6214322E+00 (-1/4)Del**2(Rho)) -0.1553580E+00 Diamond 0.1257266E+01 Metallicity 0.4682234E+01 Ellipticity 0.9811657E-02 Gb(Abramov) 0.2248091E+00 Vb(Abramov) -0.2942602E+00 Hb(Abramov) -0.6945110E-01 Ex_ueg -0.5872711E-01 Ec_ueg -0.8426925E-02 Delta_ex -0.6671305E-01 Delta_ec 0.1578368E-01 Delta_et -0.2100837E+00 Pxc 0.6968985E+01 Qxc -0.4226712E+01 3,-1 139 3 -1 2.277144 3.187076 -2.188128 Rho 0.2269204E+00 |GRAD(Rho)| 0.2407075E-13 GRAD(Rho)x -0.1495180E-13 GRAD(Rho)y -0.1722087E-13 GRAD(Rho)z 0.7699760E-14 Laplacian 0.8292583E+00 (-1/4)Del**2(Rho)) -0.2073146E+00 Diamond 0.2749872E+01 Metallicity 0.7015294E+01 Ellipticity 0.1113868E-02 Gb(Abramov) 0.3806051E+00 Vb(Abramov) -0.5538957E+00 Hb(Abramov) -0.1732906E+00 Ex_ueg -0.1022233E+00 Ec_ueg -0.1353964E-01 Delta_ex -0.9878760E-01 Delta_ec 0.1870670E-01 Delta_et -0.2588676E+00 Pxc 0.7549922E+01 Qxc -0.5280869E+01 3,-1 140 3 -1 0.911023 -3.059825 -1.703501 Rho 0.2282564E+00 |GRAD(Rho)| 0.6307049E-15 GRAD(Rho)x 0.5983712E-15 GRAD(Rho)y 0.1972706E-15 GRAD(Rho)z -0.2872035E-16 Laplacian 0.8807876E+00 (-1/4)Del**2(Rho)) -0.2201969E+00 Diamond 0.2907443E+01 Metallicity 0.6669810E+01 Ellipticity 0.6880562E-02 Gb(Abramov) 0.3915765E+00 Vb(Abramov) -0.5629562E+00 Hb(Abramov) -0.1713796E+00 Ex_ueg -0.1030265E+00 Ec_ueg -0.1363109E-01 Delta_ex -0.1048925E+00 Delta_ec 0.1948996E-01 Delta_et -0.2683611E+00 Pxc 0.7558200E+01 Qxc -0.5381877E+01 3,-1 141 3 -1 4.634381 0.051023 -0.052278 Rho 0.2153587E+00 |GRAD(Rho)| 0.5328604E-11 GRAD(Rho)x 0.5099323E-11 GRAD(Rho)y 0.1545701E-11 GRAD(Rho)z 0.4161609E-13 Laplacian 0.7688287E+00 (-1/4)Del**2(Rho)) -0.1922072E+00 Diamond 0.2403631E+01 Metallicity 0.6935128E+01 Ellipticity 0.4260523E-02 Gb(Abramov) 0.3503017E+00 Vb(Abramov) -0.5083961E+00 Hb(Abramov) -0.1580945E+00 Ex_ueg -0.9533852E-01 Ec_ueg -0.1275239E-01 Delta_ex -0.9041780E-01 Delta_ec 0.1770899E-01 Delta_et -0.2447324E+00 Pxc 0.7476129E+01 Qxc -0.5105756E+01 3,-1 142 3 -1 3.311019 0.555833 -0.665450 Rho 0.1224079E+00 |GRAD(Rho)| 0.1008272E-11 GRAD(Rho)x 0.3572871E-12 GRAD(Rho)y 0.8038372E-12 GRAD(Rho)z -0.4927514E-12 Laplacian 0.5120838E+00 (-1/4)Del**2(Rho)) -0.1280210E+00 Diamond 0.8055219E+00 Metallicity 0.4060889E+01 Ellipticity 0.1024847E-01 Gb(Abramov) 0.1719938E+00 Vb(Abramov) -0.2159666E+00 Hb(Abramov) -0.4397284E-01 Ex_ueg -0.4488807E-01 Ec_ueg -0.6701400E-02 Delta_ex -0.5225227E-01 Delta_ec 0.1347528E-01 Delta_et -0.1735047E+00 Pxc 0.6698313E+01 Qxc -0.3877638E+01 3,-1 143 3 -1 3.366450 0.562348 0.679729 Rho 0.9257666E-01 |GRAD(Rho)| 0.9507608E-15 GRAD(Rho)x 0.2852062E-15 GRAD(Rho)y -0.6507314E-15 GRAD(Rho)z -0.6317849E-15 Laplacian 0.3835962E+00 (-1/4)Del**2(Rho)) -0.9589904E-01 Diamond 0.4327955E+00 Metallicity 0.3403362E+01 Ellipticity 0.7052375E-02 Gb(Abramov) 0.1183292E+00 Vb(Abramov) -0.1407594E+00 Hb(Abramov) -0.2243017E-01 Ex_ueg -0.3093051E-01 Ec_ueg -0.4877611E-02 Delta_ex -0.3668498E-01 Delta_ec 0.1081456E-01 Delta_et -0.1321818E+00 Pxc 0.6341324E+01 Qxc -0.3392185E+01 3,-1 144 3 -1 -1.546569 2.056993 2.701786 Rho 0.1411378E+00 |GRAD(Rho)| 0.3131522E-13 GRAD(Rho)x 0.1950729E-13 GRAD(Rho)y -0.2393746E-13 GRAD(Rho)z 0.5206393E-14 Laplacian 0.5567232E+00 (-1/4)Del**2(Rho)) -0.1391808E+00 Diamond 0.1040868E+01 Metallicity 0.4735646E+01 Ellipticity 0.6059472E-01 Gb(Abramov) 0.2026390E+00 Vb(Abramov) -0.2660973E+00 Hb(Abramov) -0.6345824E-01 Ex_ueg -0.5427203E-01 Ec_ueg -0.7878639E-02 Delta_ex -0.5881833E-01 Delta_ec 0.1418927E-01 Delta_et -0.1869197E+00 Pxc 0.6888502E+01 Qxc -0.4145267E+01 3,-1 145 3 -1 -0.078299 0.210188 0.519979 Rho 0.1815064E+00 |GRAD(Rho)| 0.4018504E-11 GRAD(Rho)x -0.4041083E-12 GRAD(Rho)y -0.2311897E-11 GRAD(Rho)z -0.3261933E-11 Laplacian 0.5096729E+00 (-1/4)Del**2(Rho)) -0.1274182E+00 Diamond 0.1446172E+01 Metallicity 0.7866986E+01 Ellipticity 0.1448691E-01 Gb(Abramov) 0.2520117E+00 Vb(Abramov) -0.3766052E+00 Hb(Abramov) -0.1245935E+00 Ex_ueg -0.7589988E-01 Ec_ueg -0.1049005E-01 Delta_ex -0.5853390E-01 Delta_ec 0.1435100E-01 Delta_et -0.2016713E+00 Pxc 0.7235420E+01 Qxc -0.4078733E+01 3,-1 146 3 -1 -0.104383 0.229505 -0.505138 Rho 0.1821846E+00 |GRAD(Rho)| 0.1903758E-14 GRAD(Rho)x -0.1274216E-14 GRAD(Rho)y 0.9879209E-15 GRAD(Rho)z -0.1012265E-14 Laplacian 0.5152990E+00 (-1/4)Del**2(Rho)) -0.1288247E+00 Diamond 0.1470023E+01 Metallicity 0.7829607E+01 Ellipticity 0.4105744E-02 Gb(Abramov) 0.2539910E+00 Vb(Abramov) -0.3791573E+00 Hb(Abramov) -0.1251663E+00 Ex_ueg -0.7627822E-01 Ec_ueg -0.1053473E-01 Delta_ex -0.5924420E-01 Delta_ec 0.1451430E-01 Delta_et -0.2041239E+00 Pxc 0.7240642E+01 Qxc -0.4081780E+01 3,-1 147 3 -1 1.454975 -1.809484 -0.860195 Rho 0.5107340E-01 |GRAD(Rho)| 0.1281010E-15 GRAD(Rho)x 0.2612038E-16 GRAD(Rho)y -0.1253096E-15 GRAD(Rho)z 0.5009353E-17 Laplacian 0.1929486E+00 (-1/4)Del**2(Rho)) -0.4823715E-01 Diamond 0.1001295E+00 Metallicity 0.2510900E+01 Ellipticity 0.2303524E-01 Gb(Abramov) 0.5234455E-01 Vb(Abramov) -0.5645194E-01 Hb(Abramov) -0.4107395E-02 Ex_ueg -0.1399517E-01 Ec_ueg -0.2474293E-02 Delta_ex -0.1594439E-01 Delta_ec 0.5707270E-02 Delta_et -0.6050377E-01 Pxc 0.5656229E+01 Qxc -0.2793699E+01 3,-1 148 3 -1 1.497150 -1.865168 -2.337507 Rho 0.1435035E+00 |GRAD(Rho)| 0.1118944E-12 GRAD(Rho)x 0.3509851E-13 GRAD(Rho)y -0.9170832E-13 GRAD(Rho)z 0.5364734E-13 Laplacian 0.5913176E+00 (-1/4)Del**2(Rho)) -0.1478294E+00 Diamond 0.1145896E+01 Metallicity 0.4583846E+01 Ellipticity 0.7570075E-02 Gb(Abramov) 0.2114908E+00 Vb(Abramov) -0.2751522E+00 Hb(Abramov) -0.6366140E-01 Ex_ueg -0.5548836E-01 Ec_ueg -0.8028952E-02 Delta_ex -0.6291857E-01 Delta_ec 0.1535008E-01 Delta_et -0.2034450E+00 Pxc 0.6911033E+01 Qxc -0.4098910E+01 3,-1 149 3 -1 1.506277 -1.857322 2.333898 Rho 0.1302529E+00 |GRAD(Rho)| 0.3082514E-13 GRAD(Rho)x -0.1724915E-13 GRAD(Rho)y 0.2423399E-13 GRAD(Rho)z -0.8085160E-14 Laplacian 0.5359527E+00 (-1/4)Del**2(Rho)) -0.1339882E+00 Diamond 0.9142160E+00 Metallicity 0.4303273E+01 Ellipticity 0.5717364E-02 Gb(Abramov) 0.1854234E+00 Vb(Abramov) -0.2368586E+00 Hb(Abramov) -0.5143522E-01 Ex_ueg -0.4876424E-01 Ec_ueg -0.7191668E-02 Delta_ex -0.5558172E-01 Delta_ec 0.1402062E-01 Delta_et -0.1826116E+00 Pxc 0.6780658E+01 Qxc -0.3964284E+01 3,-1 150 3 -1 -0.058567 -0.084400 4.441147 Rho 0.2227718E+00 |GRAD(Rho)| 0.1365973E-15 GRAD(Rho)x 0.2934122E-16 GRAD(Rho)y -0.4830121E-16 GRAD(Rho)z 0.1243580E-15 Laplacian 0.8323279E+00 (-1/4)Del**2(Rho)) -0.2080820E+00 Diamond 0.2692183E+01 Metallicity 0.6777754E+01 Ellipticity 0.2089111E-01 Gb(Abramov) 0.3737760E+00 Vb(Abramov) -0.5394701E+00 Hb(Abramov) -0.1656941E+00 Ex_ueg -0.9973908E-01 Ec_ueg -0.1325631E-01 Delta_ex -0.9863771E-01 Delta_ec 0.1879924E-01 Delta_et -0.2595891E+00 Pxc 0.7523893E+01 Qxc -0.5246899E+01 3,-1 151 3 -1 -3.039096 1.193999 0.575462 Rho 0.3092865E+00 |GRAD(Rho)| 0.4420488E-15 GRAD(Rho)x 0.7719991E-16 GRAD(Rho)y 0.5275904E-16 GRAD(Rho)z -0.4320461E-15 Laplacian -0.1526695E+01 (-1/4)Del**2(Rho)) 0.3816739E+00 Diamond 0.5248930E+01 Metallicity -0.6384530E+01 Ellipticity 0.6313503E-02 Gb(Abramov) 0.1516855E+00 Vb(Abramov) -0.6850448E+00 Hb(Abramov) -0.5333593E+00 Ex_ueg -0.1544779E+00 Ec_ueg -0.1936036E-01 Delta_ex 0.1495282E+00 Delta_ec 0.5413063E-01 Delta_et -0.1264006E+01 Pxc 0.7979082E+01 Qxc 0.2762357E+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 67 121 149 133 82 120 124 122 96 125 95 53 127 113 103 111 138 136 134 112 147 148 140 81 119 139 101 110 137 109 135 114 97 126 115 144 128 132 67 116 94 66 150 79 142 143 89 90 141 129 117 68 131 130 71 118 64 47 62 48 69 146 145 59 151 60 49 56 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 17 19 21 23 25 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 17 19 21 23 36 36 36 26 45 28 45 27 2.433523 1.945300 1.754109 2.207618 1.966556 1.762281 1.771274 2.482346 1.797219 1.960651 1.941117 2.051859 1.765864 2.526553 1.854450 1.916369 1.878807 2.041657 1.764086 2.368205 1.930895 1.761461 2.205523 1.954061 1.764794 2.506477 1.930269 1.978664 1.859410 1.905477 1.749169 2.625801 1.967160 1.940127 1.922836 1.898103 2.349450 1.763644 1.933963 2.000758 2.131184 1.771835 2.660174 1.970877 2.084361 1.837414 1.839679 1.758751 2.461720 1.946614 1.755915 1.762110 2.162172 1.982552 1.614677 3.164404 3.184201 3.262667 3.153022 1.493643 1.607783 1.609413 3.171545 1.006770 3.175870 1.699592 3.243327 2.434814 1.945868 1.754177 2.208304 1.967265 1.762315 1.771290 2.483507 1.797351 1.961060 1.941645 2.052336 1.765883 2.527639 1.854871 1.916774 1.879249 2.042073 1.764094 2.369526 1.931347 1.761482 2.205990 1.954542 1.764807 2.507720 1.930731 1.979080 1.859740 1.905885 1.749190 2.626658 1.968350 1.940877 1.923548 1.898799 2.350644 1.763698 1.934351 2.001322 2.131648 1.771848 2.661000 1.971559 2.084961 1.837812 1.840181 1.758788 2.462886 1.947136 1.756008 1.762147 2.162844 1.983299 1.614695 3.196752 3.237062 3.327806 3.170359 1.493645 1.607818 1.609450 3.192341 1.006840 3.197338 1.703512 3.245138 27 23 23 25 24 23 23 29 22 27 26 24 22 29 22 23 23 24 21 27 24 22 26 23 21 29 23 23 22 23 23 29 24 23 25 25 27 24 23 25 30 23 29 23 25 22 22 23 27 23 21 23 26 25 21 35 35 35 35 19 22 22 35 18 35 24 35 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 Mo O W W W W Mo O O W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H 2.1695 -0.8810 2.3282 2.4033 2.3099 2.3980 2.2259 -0.8783 -0.7875 2.3339 2.1863 2.1697 -1.0541 -0.8868 -1.0486 -1.0490 -0.8247 -0.9640 -0.8009 -0.9549 -0.7535 -0.9453 -0.8835 -0.9648 -0.9512 -0.7529 -0.9766 -0.8278 -0.9148 -0.8065 -0.9639 -0.9610 -0.9118 -0.9808 -0.9946 2.0929 -0.8800 -0.9425 -0.9824 -1.0005 -0.8045 -0.8142 -0.8723 -0.8753 0.2726 2.0004 1.9501 2.1305 2.1043 2.1431 2.1044 1.9914 1.9507 1.9645 2.1347 1.9926 2.0076 1.9016 1.9050 1.9002 1.8998 1.9546 1.9330 1.8731 1.9301 1.9663 1.9336 1.9512 1.9329 1.9317 1.9664 1.9298 1.9549 1.9479 1.9605 1.9399 1.9392 1.9473 1.9366 1.9391 2.5628 1.9498 1.9399 1.9394 1.9359 1.9606 1.9611 1.9515 1.9517 0.5665 6.1240 4.9004 6.1254 6.1021 6.1179 6.1032 6.1122 4.8964 4.7929 6.1136 6.1219 6.1248 5.1168 4.9431 5.1126 5.1133 4.8383 5.0036 4.9000 4.9986 4.7577 4.9833 4.9008 5.0045 4.9922 4.7568 5.0179 4.8410 4.9394 4.8179 4.9962 4.9936 4.9385 5.0156 5.0269 7.5373 4.9000 4.9746 5.0136 5.0357 4.8158 4.8244 4.8897 4.8922 0.1609 3.7062 0.0304 3.3865 3.3605 3.4002 3.3644 3.6705 0.0313 0.0300 3.3886 3.6992 3.6979 0.0356 0.0387 0.0359 0.0359 0.0318 0.0273 0.0278 0.0261 0.0295 0.0284 0.0315 0.0274 0.0273 0.0296 0.0290 0.0319 0.0276 0.0281 0.0278 0.0282 0.0260 0.0285 0.0286 0.8070 0.0303 0.0280 0.0293 0.0289 0.0282 0.0287 0.0312 0.0314 0.0000 0.0000 0.0000 14.0293 14.0299 14.0289 14.0300 0.0000 0.0000 0.0000 14.0292 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Mo O W W W W Mo O O W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H 3.145166 -0.936849 2.479928 2.492425 2.474492 2.497911 3.159263 -0.933898 -1.072654 2.482510 3.154168 3.146718 -1.091892 -0.950504 -1.068171 -1.054620 -0.888999 -1.110335 -0.790730 -1.111635 -1.042872 -1.070175 -0.856979 -1.111490 -1.103407 -1.042557 -0.996231 -0.892024 -1.127630 -1.090697 -1.070289 -1.106363 -1.193686 -1.109091 -1.004638 1.982632 -0.938052 -1.114916 -1.108841 -1.008676 -1.085759 -1.098815 -0.929280 -0.928776 0.026320 2.350665 -0.852624 1.933888 1.932116 1.953673 1.930210 2.339445 -0.856061 -0.861106 1.955071 2.343322 2.346862 -0.808144 -0.847286 -0.768335 -0.750428 -0.791843 -0.820463 -0.929988 -0.841071 -0.847318 -0.848841 -0.782713 -0.823131 -0.839807 -0.843347 -0.740274 -0.798615 -0.928846 -0.906128 -0.916663 -0.880375 -0.995780 -0.903031 -0.844749 1.635038 -0.860064 -0.907071 -0.898811 -0.841082 -0.897907 -0.900449 -0.845370 -0.846485 0.303919 2.447293 -0.824550 2.043837 2.038279 2.034385 2.041729 2.473359 -0.822423 -0.855540 2.033831 2.431768 2.443407 -0.866433 -0.786519 -0.834407 -0.845815 -0.793693 -0.910450 -0.985419 -0.939803 -0.846607 -0.923033 -0.847415 -0.910369 -0.941174 -0.845544 -0.831856 -0.803403 -0.939680 -0.891320 -0.936002 -0.931322 -1.004624 -0.969185 -0.877566 1.585055 -0.836559 -0.943183 -0.982317 -0.868737 -0.878331 -0.870979 -0.819978 -0.809479 0.400774 -21.26335681 -12.08485987 0.47523524 24.46221636 38.30091584 53.82928572 1.11818795 0.27121782 0.53323573 -38.57213366 -296.8273 347.6686 -23.1288 -343.2563 -80.1462 -395.6900 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 Apr24-2024 16:53:07 Nodes: 1 Procs: 1 0 Apr24-2024 16:53:08 Nodes: 1 Procs: 1 Apr24-2024 16:53:08 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr24-2024 16:53:09 Nodes: 1 Procs: 1 Apr24-2024 16:53:09 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr24-2024 16:53:10 Nodes: 1 Procs: 1 Apr24-2024 16:53:11 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr24-2024 16:53:13 Nodes: 1 Procs: 1 Apr24-2024 16:53:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr24-2024 16:53:14 Nodes: 1 Procs: 24 *** (NO TITLE) *** -8 -14.46593553 -14.52026606 -14.53564430 -14.53742430 -14.53774763 -14.53869997 -14.53911484 -14.54003395 -14.54037741 -14.54076400 -14.54103424 -14.54109475 -14.54116758 -14.54119192 -14.54123953 -14.54130371 -14.54132164 -14.54132620 -14.54133240 -14.54133928 -14.54134091 GEOMETRY CONVERGED