ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Jun24-2023 09:13:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.02 0.37 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 Jun24-2023 09:13:31 Nodes: 1 Procs: 1 Jun24-2023 09:13:31 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Jun24-2023 09:13:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.02 0.47 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 Jun24-2023 09:13:31 Nodes: 1 Procs: 1 Jun24-2023 09:13:31 Nodes: 1 Procs: 1 0 Jun24-2023 09:13:32 Nodes: 1 Procs: 1 Jun24-2023 09:13:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Jun24-2023 09:13:32 Hydrogen (TZP) kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.18 0.04 1.26 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 Jun24-2023 09:13:31 Nodes: 1 Procs: 1 Jun24-2023 09:13:31 Nodes: 1 Procs: 1 0 Jun24-2023 09:13:32 Nodes: 1 Procs: 1 Jun24-2023 09:13:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun24-2023 09:13:32 Nodes: 1 Procs: 1 Jun24-2023 09:13:33 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Jun24-2023 09:13:35 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 2846.0560000000055 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Jun24-2023 09:13:33 1 1 Tungsten TZP 4d t21.O ADF 2019 Jun24-2023 09:13:32 1 1 Oxygen TZP 1s t21.H ADF 2019 Jun24-2023 09:13:31 1 1 Hydrogen TZP 1 1 -17.46590671 0.00089571 0.00100000 T 0.00028582 0.00066667 T 0.00089571 0.00028582 0.00055521 0.01000000 T 0.00021118 0.00666667 T Cartesian 2846.0560000000055 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2 2 CONVERGED -17.46591036 0.00080474 0.00100000 T 0.00023764 0.00066667 T 0.00080474 0.00023764 0.00178061 0.01000000 T 0.00072707 0.00666667 T NOSYM -7 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 183.95093200 183.95093200 183.95093200 183.95093200 183.95093200 183.95093200 183.95093200 183.95093200 183.95093200 183.95093200 183.95093200 183.95093200 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 1.00782500 1.000000 298.150000 90318.0442 90376.6259 91082.1013 1 NOSYM 298.15 49.702 41.826 218.578 310.106 0.889 0.889 124.086 125.863 2.981 2.981 214.634 220.596 39595.43 1529.65 41989.23 3.828899 -49.356 -25.796 -16.019 -12.972 59.427 61.836 62.003 64.573 66.050 82.544 83.003 84.287 96.076 97.310 110.605 111.478 116.975 117.768 119.204 126.256 130.675 131.158 139.720 146.677 146.742 149.632 154.083 154.907 157.917 159.735 160.382 161.705 166.932 167.218 172.064 172.662 174.624 174.988 182.218 185.653 187.487 190.910 192.001 197.326 197.958 198.211 198.680 201.906 206.068 206.510 210.567 211.230 218.361 219.036 220.804 221.295 222.639 225.867 226.068 241.876 248.125 248.932 277.758 278.164 278.362 297.207 298.029 302.049 303.235 305.084 318.041 318.724 319.030 324.678 325.240 338.829 342.122 342.646 346.261 353.457 353.670 353.916 356.785 373.012 375.890 378.066 380.728 382.190 392.140 407.639 410.989 411.580 415.221 416.592 431.797 432.999 444.249 456.548 456.994 457.644 467.591 477.406 488.807 498.300 499.628 500.486 502.687 505.937 508.799 510.201 515.855 516.432 523.968 554.114 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0.1373313E-14 GRAD(Rho)x -0.2075112E-15 GRAD(Rho)y 0.4448285E-15 GRAD(Rho)z 0.1282597E-14 Laplacian 0.2147179E-01 (-1/4)Del**2(Rho)) -0.5367947E-02 Diamond 0.3474760E-03 Metallicity 0.4968274E+00 Ellipticity -0.1375944E+01 Gb(Abramov) 0.4023122E-02 Vb(Abramov) -0.2678297E-02 Hb(Abramov) 0.1344825E-02 Ex_ueg -0.6610286E-03 Ec_ueg -0.1544341E-03 Delta_ex -0.9177565E-03 Delta_ec 0.3959806E-03 Delta_et -0.2285600E-02 Pxc 0.4280329E+01 Qxc -0.2317681E+01 3,+1 56 3 -1 -3.652182 -2.056633 -0.749068 Rho 0.1334100E+00 |GRAD(Rho)| 0.2541198E-15 GRAD(Rho)x -0.1220812E-15 GRAD(Rho)y 0.2212721E-15 GRAD(Rho)z 0.2667815E-16 Laplacian 0.5093108E+00 (-1/4)Del**2(Rho)) -0.1273277E+00 Diamond 0.9045343E+00 Metallicity 0.4712787E+01 Ellipticity 0.5277181E-01 Gb(Abramov) 0.1848965E+00 Vb(Abramov) -0.2424654E+00 Hb(Abramov) -0.5756883E-01 Ex_ueg -0.5034656E-01 Ec_ueg -0.7390133E-02 Delta_ex -0.5324662E-01 Delta_ec 0.1346352E-01 Delta_et -0.1764469E+00 Pxc 0.6812672E+01 Qxc -0.3954881E+01 3,-1 57 3 +1 -2.959067 -1.107743 0.676430 Rho 0.6774672E-02 |GRAD(Rho)| 0.2313034E-16 GRAD(Rho)x -0.1077091E-16 GRAD(Rho)y 0.1961366E-16 GRAD(Rho)z -0.5857011E-17 Laplacian 0.2830185E-01 (-1/4)Del**2(Rho)) -0.7075462E-02 Diamond 0.8253240E-03 Metallicity 0.5905801E+00 Ellipticity -0.2013917E+01 Gb(Abramov) 0.5413412E-02 Vb(Abramov) -0.3751363E-02 Hb(Abramov) 0.1662049E-02 Ex_ueg -0.9467516E-03 Ec_ueg -0.2240658E-03 Delta_ex -0.1390067E-02 Delta_ec 0.7055063E-03 Delta_et -0.4267863E-02 Pxc 0.4225329E+01 Qxc -0.1970312E+01 3,+1 58 3 +1 -2.383547 1.267244 -2.101053 Rho 0.6767791E-02 |GRAD(Rho)| 0.7396567E-17 GRAD(Rho)x -0.5180401E-18 GRAD(Rho)y 0.1344016E-17 GRAD(Rho)z 0.7254961E-17 Laplacian 0.2832623E-01 (-1/4)Del**2(Rho)) -0.7081557E-02 Diamond 0.8110280E-03 Metallicity 0.5890733E+00 Ellipticity -0.1927071E+01 Gb(Abramov) 0.5416297E-02 Vb(Abramov) -0.3751037E-02 Hb(Abramov) 0.1665260E-02 Ex_ueg -0.9454697E-03 Ec_ueg -0.2237637E-03 Delta_ex -0.1382354E-02 Delta_ec 0.6907514E-03 Delta_et -0.4184860E-02 Pxc 0.4225304E+01 Qxc -0.2001232E+01 3,+1 59 3 -1 -3.403316 1.250916 -0.768772 Rho 0.1346594E+00 |GRAD(Rho)| 0.1642316E-15 GRAD(Rho)x -0.3876023E-17 GRAD(Rho)y -0.1640940E-15 GRAD(Rho)z 0.5490468E-17 Laplacian 0.5687429E+00 (-1/4)Del**2(Rho)) -0.1421857E+00 Diamond 0.1022997E+01 Metallicity 0.4286391E+01 Ellipticity 0.8421201E-02 Gb(Abramov) 0.1963677E+00 Vb(Abramov) -0.2505498E+00 Hb(Abramov) -0.5418202E-01 Ex_ueg -0.5097619E-01 Ec_ueg -0.7468851E-02 Delta_ex -0.5961167E-01 Delta_ec 0.1503262E-01 Delta_et -0.1973666E+00 Pxc 0.6825171E+01 Qxc -0.3965488E+01 3,-1 60 3 +1 -2.645893 1.570634 0.578890 Rho 0.1183695E-01 |GRAD(Rho)| 0.1873759E-16 GRAD(Rho)x -0.9674724E-17 GRAD(Rho)y -0.1601496E-16 GRAD(Rho)z 0.1008958E-17 Laplacian 0.5987814E-01 (-1/4)Del**2(Rho)) -0.1496954E-01 Diamond 0.2397160E-02 Metallicity 0.7075290E+00 Ellipticity -0.1252190E+01 Gb(Abramov) 0.1174492E-01 Vb(Abramov) -0.8520305E-02 Hb(Abramov) 0.3224615E-02 Ex_ueg -0.1992376E-02 Ec_ueg -0.4520471E-03 Delta_ex -0.2945164E-02 Delta_ec 0.7995098E-03 Delta_et -0.5957696E-02 Pxc 0.4407452E+01 Qxc -0.3683712E+01 3,+1 61 3 -1 -2.763430 0.562213 1.784494 Rho 0.1402758E+00 |GRAD(Rho)| 0.3543545E-12 GRAD(Rho)x 0.2120764E-12 GRAD(Rho)y 0.6920141E-13 GRAD(Rho)z 0.2753215E-12 Laplacian 0.5942083E+00 (-1/4)Del**2(Rho)) -0.1485521E+00 Diamond 0.1119833E+01 Metallicity 0.4391830E+01 Ellipticity 0.9947707E-02 Gb(Abramov) 0.2077706E+00 Vb(Abramov) -0.2669892E+00 Hb(Abramov) -0.5921855E-01 Ex_ueg -0.5383052E-01 Ec_ueg -0.7823959E-02 Delta_ex -0.6287026E-01 Delta_ec 0.1549856E-01 Delta_et -0.2046824E+00 Pxc 0.6880215E+01 Qxc -0.4056524E+01 3,-1 62 3 -1 -0.784249 -1.242393 1.874539 Rho 0.9607558E-01 |GRAD(Rho)| 0.1748102E-15 GRAD(Rho)x -0.3425401E-17 GRAD(Rho)y -0.1690136E-15 GRAD(Rho)z 0.4451158E-16 Laplacian 0.3590089E+00 (-1/4)Del**2(Rho)) -0.8975222E-01 Diamond 0.4126679E+00 Metallicity 0.3868384E+01 Ellipticity 0.1515843E-01 Gb(Abramov) 0.1177008E+00 Vb(Abramov) -0.1456494E+00 Hb(Abramov) -0.2794861E-01 Ex_ueg -0.3249893E-01 Ec_ueg -0.5087944E-02 Delta_ex -0.3443204E-01 Delta_ec 0.9687515E-02 Delta_et -0.1189046E+00 Pxc 0.6387439E+01 Qxc -0.3554269E+01 3,-1 63 3 -1 -0.077832 -0.572638 0.185088 Rho 0.1261455E-01 |GRAD(Rho)| 0.4882715E-15 GRAD(Rho)x 0.3137952E-15 GRAD(Rho)y -0.3063238E-15 GRAD(Rho)z 0.2147262E-15 Laplacian 0.4993907E-01 (-1/4)Del**2(Rho)) -0.1248477E-01 Diamond 0.5565639E-02 Metallicity 0.9432477E+00 Ellipticity 0.2202509E+00 Gb(Abramov) 0.1028588E-01 Vb(Abramov) -0.8086999E-02 Hb(Abramov) 0.2198885E-02 Ex_ueg -0.2168773E-02 Ec_ueg -0.4880127E-03 Delta_ex -0.3412690E-02 Delta_ec 0.2300336E-02 Delta_et -0.1622531E-01 Pxc 0.4444092E+01 Qxc -0.1483562E+01 3,-1 64 3 -1 -1.200480 0.931513 3.061990 Rho 0.1361326E+00 |GRAD(Rho)| 0.2334939E-15 GRAD(Rho)x 0.2251481E-15 GRAD(Rho)y 0.8382238E-17 GRAD(Rho)z 0.6129808E-16 Laplacian 0.5201693E+00 (-1/4)Del**2(Rho)) -0.1300423E+00 Diamond 0.9460217E+00 Metallicity 0.4772418E+01 Ellipticity 0.5570865E-01 Gb(Abramov) 0.1901309E+00 Vb(Abramov) -0.2502196E+00 Hb(Abramov) -0.6008862E-01 Ex_ueg -0.5172110E-01 Ec_ueg -0.7561798E-02 Delta_ex -0.5464235E-01 Delta_ec 0.1367413E-01 Delta_et -0.1797655E+00 Pxc 0.6839789E+01 Qxc -0.3996038E+01 3,-1 65 3 -1 -2.646867 1.162295 3.184740 Rho 0.2283404E+00 |GRAD(Rho)| 0.1662366E-13 GRAD(Rho)x 0.9342028E-14 GRAD(Rho)y -0.6782986E-14 GRAD(Rho)z -0.1196092E-13 Laplacian 0.9078962E+00 (-1/4)Del**2(Rho)) -0.2269741E+00 Diamond 0.2977005E+01 Metallicity 0.6474629E+01 Ellipticity 0.4987079E-02 Gb(Abramov) 0.3962449E+00 Vb(Abramov) -0.5655157E+00 Hb(Abramov) -0.1692708E+00 Ex_ueg -0.1030771E+00 Ec_ueg -0.1363684E-01 Delta_ex -0.1080104E+00 Delta_ec 0.1987183E-01 Delta_et -0.2727175E+00 Pxc 0.7558719E+01 Qxc -0.5435350E+01 3,-1 66 3 +1 -1.175818 0.655914 -1.663022 Rho 0.5300796E-02 |GRAD(Rho)| 0.1086344E-16 GRAD(Rho)x 0.1076409E-16 GRAD(Rho)y 0.9147956E-18 GRAD(Rho)z -0.1145294E-17 Laplacian 0.2176057E-01 (-1/4)Del**2(Rho)) -0.5440143E-02 Diamond 0.3602441E-03 Metallicity 0.5103224E+00 Ellipticity -0.1385663E+01 Gb(Abramov) 0.4089467E-02 Vb(Abramov) -0.2738790E-02 Hb(Abramov) 0.1350677E-02 Ex_ueg -0.6826108E-03 Ec_ueg -0.1598801E-03 Delta_ex -0.9321585E-03 Delta_ec 0.3958574E-03 Delta_et -0.2304051E-02 Pxc 0.4269516E+01 Qxc -0.2354783E+01 3,+1 67 3 +3 0.842397 0.346722 0.254591 Rho 0.3063289E-02 |GRAD(Rho)| 0.1007701E-13 GRAD(Rho)x 0.6166942E-14 GRAD(Rho)y 0.5330907E-14 GRAD(Rho)z -0.5924215E-14 Laplacian 0.1284302E-01 (-1/4)Del**2(Rho)) -0.3210755E-02 Diamond 0.5818025E-04 Metallicity 0.3466777E+00 Ellipticity -0.2734185E+00 Gb(Abramov) 0.2326019E-02 Vb(Abramov) -0.1441284E-02 Hb(Abramov) 0.8847355E-03 Ex_ueg -0.3285758E-03 Ec_ueg -0.6454464E-04 Delta_ex -0.4099512E-03 Delta_ec 0.9543950E-04 Delta_et -0.5753121E-03 Pxc 0.5090675E+01 Qxc -0.4295403E+01 3,+3 68 3 -1 -2.278055 2.558005 -0.566192 Rho 0.1499030E+00 |GRAD(Rho)| 0.1317730E-12 GRAD(Rho)x -0.4432725E-13 GRAD(Rho)y 0.4917467E-14 GRAD(Rho)z -0.1239962E-12 Laplacian 0.6356090E+00 (-1/4)Del**2(Rho)) -0.1589023E+00 Diamond 0.1293229E+01 Metallicity 0.4586064E+01 Ellipticity 0.1383411E-01 Gb(Abramov) 0.2273908E+00 Vb(Abramov) -0.2958794E+00 Hb(Abramov) -0.6848856E-01 Ex_ueg -0.5881191E-01 Ec_ueg -0.8437302E-02 Delta_ex -0.6830905E-01 Delta_ec 0.1623925E-01 Delta_et -0.2164101E+00 Pxc 0.6970464E+01 Qxc -0.4206416E+01 3,-1 69 3 +1 -1.907020 1.814805 -2.015694 Rho 0.6819910E-02 |GRAD(Rho)| 0.1219856E-16 GRAD(Rho)x 0.7270302E-17 GRAD(Rho)y -0.5763854E-17 GRAD(Rho)z 0.7919944E-17 Laplacian 0.2845823E-01 (-1/4)Del**2(Rho)) -0.7114557E-02 Diamond 0.8409550E-03 Metallicity 0.5938860E+00 Ellipticity -0.2051976E+01 Gb(Abramov) 0.5447244E-02 Vb(Abramov) -0.3779931E-02 Hb(Abramov) 0.1667313E-02 Ex_ueg -0.9551903E-03 Ec_ueg -0.2260525E-03 Delta_ex -0.1401966E-02 Delta_ec 0.7133291E-03 Delta_et -0.4321611E-02 Pxc 0.4225525E+01 Qxc -0.1965385E+01 3,+1 70 3 -1 -1.593621 2.713799 0.642910 Rho 0.1479992E+00 |GRAD(Rho)| 0.4574572E-12 GRAD(Rho)x -0.3970171E-13 GRAD(Rho)y -0.1962857E-12 GRAD(Rho)z 0.4112941E-12 Laplacian 0.6269197E+00 (-1/4)Del**2(Rho)) -0.1567299E+00 Diamond 0.1257387E+01 Metallicity 0.4551631E+01 Ellipticity 0.1276769E-01 Gb(Abramov) 0.2233827E+00 Vb(Abramov) -0.2900356E+00 Hb(Abramov) -0.6665282E-01 Ex_ueg -0.5781817E-01 Ec_ueg -0.8315559E-02 Delta_ex -0.6717723E-01 Delta_ec 0.1609090E-01 Delta_et -0.2140959E+00 Pxc 0.6953010E+01 Qxc -0.4174859E+01 3,-1 71 3 -1 -1.290191 3.376348 -1.285345 Rho 0.1250058E+00 |GRAD(Rho)| 0.6369934E-12 GRAD(Rho)x -0.1195179E-12 GRAD(Rho)y -0.8374023E-13 GRAD(Rho)z 0.6200513E-12 Laplacian 0.4800158E+00 (-1/4)Del**2(Rho)) -0.1200039E+00 Diamond 0.7854673E+00 Metallicity 0.4486505E+01 Ellipticity 0.4768957E-01 Gb(Abramov) 0.1697357E+00 Vb(Abramov) -0.2194674E+00 Hb(Abramov) -0.4973173E-01 Ex_ueg -0.4616279E-01 Ec_ueg -0.6863296E-02 Delta_ex -0.4936854E-01 Delta_ec 0.1282012E-01 Delta_et -0.1660963E+00 Pxc 0.6726039E+01 Qxc -0.3850865E+01 3,-1 72 3 +1 -0.687995 1.100695 0.591632 Rho 0.5241171E-02 |GRAD(Rho)| 0.8052317E-16 GRAD(Rho)x 0.4582956E-16 GRAD(Rho)y 0.6754241E-17 GRAD(Rho)z -0.6586359E-16 Laplacian 0.2174106E-01 (-1/4)Del**2(Rho)) -0.5435266E-02 Diamond 0.3607017E-03 Metallicity 0.5012406E+00 Ellipticity -0.1388622E+01 Gb(Abramov) 0.4077573E-02 Vb(Abramov) -0.2719880E-02 Hb(Abramov) 0.1357693E-02 Ex_ueg -0.6723924E-03 Ec_ueg -0.1573061E-03 Delta_ex -0.9343603E-03 Delta_ec 0.4052150E-03 Delta_et -0.2344337E-02 Pxc 0.4274421E+01 Qxc -0.2305838E+01 3,+1 73 3 -1 -1.948121 3.982715 -0.130661 Rho 0.2273110E+00 |GRAD(Rho)| 0.7314689E-15 GRAD(Rho)x 0.1524930E-15 GRAD(Rho)y -0.7028883E-15 GRAD(Rho)z -0.1331942E-15 Laplacian 0.8993049E+00 (-1/4)Del**2(Rho)) -0.2248262E+00 Diamond 0.2935393E+01 Metallicity 0.6487442E+01 Ellipticity 0.7697937E-02 Gb(Abramov) 0.3929753E+00 Vb(Abramov) -0.5611244E+00 Hb(Abramov) -0.1681491E+00 Ex_ueg -0.1024579E+00 Ec_ueg -0.1356637E-01 Delta_ex -0.1068769E+00 Delta_ec 0.1973591E-01 Delta_et -0.2709160E+00 Pxc 0.7552347E+01 Qxc -0.5415355E+01 3,-1 74 3 -1 -0.561812 3.540059 0.011082 Rho 0.1243581E+00 |GRAD(Rho)| 0.2545440E-13 GRAD(Rho)x -0.2320056E-13 GRAD(Rho)y -0.8321943E-14 GRAD(Rho)z -0.6356555E-14 Laplacian 0.4777762E+00 (-1/4)Del**2(Rho)) -0.1194440E+00 Diamond 0.7768931E+00 Metallicity 0.4468676E+01 Ellipticity 0.4613173E-01 Gb(Abramov) 0.1685888E+00 Vb(Abramov) -0.2177336E+00 Hb(Abramov) -0.4914477E-01 Ex_ueg -0.4584414E-01 Ec_ueg -0.6822889E-02 Delta_ex -0.4907659E-01 Delta_ec 0.1277493E-01 Delta_et -0.1653631E+00 Pxc 0.6719170E+01 Qxc -0.3841632E+01 3,-1 75 3 +1 -1.586118 0.898295 -0.996911 Rho 0.5250436E-02 |GRAD(Rho)| 0.1554313E-13 GRAD(Rho)x 0.1516372E-13 GRAD(Rho)y -0.2228307E-14 GRAD(Rho)z 0.2585553E-14 Laplacian 0.2180306E-01 (-1/4)Del**2(Rho)) -0.5450764E-02 Diamond 0.3626871E-03 Metallicity 0.5012888E+00 Ellipticity -0.1388643E+01 Gb(Abramov) 0.4089244E-02 Vb(Abramov) -0.2727724E-02 Hb(Abramov) 0.1361520E-02 Ex_ueg -0.6739777E-03 Ec_ueg -0.1577059E-03 Delta_ex -0.9374811E-03 Delta_ec 0.4065151E-03 Delta_et -0.2352922E-02 Pxc 0.4273635E+01 Qxc -0.2306141E+01 3,+1 76 3 +3 -0.419281 0.063536 -1.980659 Rho 0.3059808E-02 |GRAD(Rho)| 0.2322391E-17 GRAD(Rho)x 0.1761829E-17 GRAD(Rho)y 0.1301043E-17 GRAD(Rho)z 0.7724940E-18 Laplacian 0.1281537E-01 (-1/4)Del**2(Rho)) -0.3203842E-02 Diamond 0.5770415E-04 Metallicity 0.3467680E+00 Ellipticity -0.2695448E+00 Gb(Abramov) 0.2321060E-02 Vb(Abramov) -0.1438277E-02 Hb(Abramov) 0.8827824E-03 Ex_ueg -0.3280781E-03 Ec_ueg -0.6439841E-04 Delta_ex -0.4084830E-03 Delta_ec 0.9439921E-04 Delta_et -0.5703576E-03 Pxc 0.5094506E+01 Qxc -0.4327186E+01 3,+3 77 3 -1 0.133632 0.305231 -0.831739 Rho 0.1237513E-01 |GRAD(Rho)| 0.6855858E-15 GRAD(Rho)x 0.6906876E-16 GRAD(Rho)y 0.6646837E-15 GRAD(Rho)z -0.1531436E-15 Laplacian 0.4918939E-01 (-1/4)Del**2(Rho)) -0.1229735E-01 Diamond 0.5356096E-02 Metallicity 0.9275237E+00 Ellipticity 0.2243149E+00 Gb(Abramov) 0.1009924E-01 Vb(Abramov) -0.7901142E-02 Hb(Abramov) 0.2198102E-02 Ex_ueg -0.2114065E-02 Ec_ueg -0.4769141E-03 Delta_ex -0.3352904E-02 Delta_ec 0.2272652E-02 Delta_et -0.1593484E-01 Pxc 0.4432800E+01 Qxc -0.1475327E+01 3,-1 78 3 -1 -0.323852 0.667401 0.291084 Rho 0.6523460E-02 |GRAD(Rho)| 0.1125276E-16 GRAD(Rho)x -0.2165016E-17 GRAD(Rho)y -0.7982438E-17 GRAD(Rho)z 0.7630073E-17 Laplacian 0.2459604E-01 (-1/4)Del**2(Rho)) -0.6149010E-02 Diamond 0.1052216E-02 Metallicity 0.6380842E+00 Ellipticity 0.2100454E+00 Gb(Abramov) 0.4753271E-02 Vb(Abramov) -0.3357532E-02 Hb(Abramov) 0.1395739E-02 Ex_ueg -0.9002347E-03 Ec_ueg -0.2130513E-03 Delta_ex -0.1439616E-02 Delta_ec 0.1044122E-02 Delta_et -0.6035835E-02 Pxc 0.4225436E+01 Qxc -0.1378781E+01 3,-1 79 3 +1 0.112335 0.945290 0.620941 Rho 0.5301605E-02 |GRAD(Rho)| 0.7237689E-16 GRAD(Rho)x 0.4795848E-16 GRAD(Rho)y 0.5090329E-16 GRAD(Rho)z -0.1863472E-16 Laplacian 0.2176642E-01 (-1/4)Del**2(Rho)) -0.5441606E-02 Diamond 0.3609194E-03 Metallicity 0.5103150E+00 Ellipticity -0.1386765E+01 Gb(Abramov) 0.4090559E-02 Vb(Abramov) -0.2739513E-02 Hb(Abramov) 0.1351046E-02 Ex_ueg -0.6827497E-03 Ec_ueg -0.1599151E-03 Delta_ex -0.9328746E-03 Delta_ec 0.3967370E-03 Delta_et -0.2308731E-02 Pxc 0.4269452E+01 Qxc -0.2351368E+01 3,+1 80 3 +3 -0.251548 1.326375 0.876581 Rho 0.4517361E-02 |GRAD(Rho)| 0.5557123E-17 GRAD(Rho)x 0.1323595E-17 GRAD(Rho)y 0.1478920E-17 GRAD(Rho)z -0.5190618E-17 Laplacian 0.1950367E-01 (-1/4)Del**2(Rho)) -0.4875916E-02 Diamond 0.1439253E-03 Metallicity 0.4361523E+00 Ellipticity -0.4269150E+00 Gb(Abramov) 0.3605051E-02 Vb(Abramov) -0.2334186E-02 Hb(Abramov) 0.1270865E-02 Ex_ueg -0.5515244E-03 Ec_ueg -0.1262023E-03 Delta_ex -0.6821691E-03 Delta_ec 0.1341083E-03 Delta_et -0.9024384E-03 Pxc 0.4370160E+01 Qxc -0.5086702E+01 3,+3 81 3 -1 0.273566 0.660288 3.133692 Rho 0.1380879E+00 |GRAD(Rho)| 0.1623062E-15 GRAD(Rho)x 0.1175953E-15 GRAD(Rho)y -0.1114763E-15 GRAD(Rho)z -0.9364796E-17 Laplacian 0.5265133E+00 (-1/4)Del**2(Rho)) -0.1316283E+00 Diamond 0.9746754E+00 Metallicity 0.4828323E+01 Ellipticity 0.5894879E-01 Gb(Abramov) 0.1936762E+00 Vb(Abramov) -0.2557241E+00 Hb(Abramov) -0.6204790E-01 Ex_ueg -0.5271397E-01 Ec_ueg -0.7685382E-02 Delta_ex -0.5550651E-01 Delta_ec 0.1380473E-01 Delta_et -0.1819110E+00 Pxc 0.6858991E+01 Qxc -0.4020833E+01 3,-1 82 3 -1 -0.805677 -2.304598 -2.363349 Rho 0.6506375E-02 |GRAD(Rho)| 0.1173172E-16 GRAD(Rho)x 0.8800672E-18 GRAD(Rho)y 0.8783308E-17 GRAD(Rho)z -0.7727376E-17 Laplacian 0.2626476E-01 (-1/4)Del**2(Rho)) -0.6566189E-02 Diamond 0.1021930E-02 Metallicity 0.5949379E+00 Ellipticity 0.1781320E+01 Gb(Abramov) 0.5028538E-02 Vb(Abramov) -0.3490888E-02 Hb(Abramov) 0.1537651E-02 Ex_ueg -0.8970924E-03 Ec_ueg -0.2123033E-03 Delta_ex -0.1472691E-02 Delta_ec 0.1000923E-02 Delta_et -0.5814340E-02 Pxc 0.4225522E+01 Qxc -0.1471333E+01 3,-1 83 3 +1 -0.274773 0.149931 -3.383525 Rho 0.1194283E-01 |GRAD(Rho)| 0.1341128E-13 GRAD(Rho)x 0.3309936E-14 GRAD(Rho)y 0.1293014E-13 GRAD(Rho)z 0.1310808E-14 Laplacian 0.6023350E-01 (-1/4)Del**2(Rho)) -0.1505838E-01 Diamond 0.2425220E-02 Metallicity 0.7138717E+00 Ellipticity -0.1254941E+01 Gb(Abramov) 0.1183054E-01 Vb(Abramov) -0.8602708E-02 Hb(Abramov) 0.3227834E-02 Ex_ueg -0.2016173E-02 Ec_ueg -0.4569303E-03 Delta_ex -0.2964987E-02 Delta_ec 0.7960622E-03 Delta_et -0.5951205E-02 Pxc 0.4412431E+01 Qxc -0.3724566E+01 3,+1 84 3 +1 -0.211546 1.750472 1.751271 Rho 0.6808248E-02 |GRAD(Rho)| 0.4355634E-17 GRAD(Rho)x 0.3692367E-17 GRAD(Rho)y 0.2619185E-19 GRAD(Rho)z 0.2310256E-17 Laplacian 0.2852667E-01 (-1/4)Del**2(Rho)) -0.7131668E-02 Diamond 0.8167794E-03 Metallicity 0.5907735E+00 Ellipticity -0.1898572E+01 Gb(Abramov) 0.5456645E-02 Vb(Abramov) -0.3781623E-02 Hb(Abramov) 0.1675023E-02 Ex_ueg -0.9530131E-03 Ec_ueg -0.2255402E-03 Delta_ex -0.1389895E-02 Delta_ec 0.6884033E-03 Delta_et -0.4181427E-02 Pxc 0.4225468E+01 Qxc -0.2019013E+01 3,+1 85 3 +1 1.741914 1.126845 -1.844005 Rho 0.6333399E-02 |GRAD(Rho)| 0.1663977E-16 GRAD(Rho)x -0.6740265E-17 GRAD(Rho)y -0.3849341E-17 GRAD(Rho)z -0.1471847E-16 Laplacian 0.2647204E-01 (-1/4)Del**2(Rho)) -0.6618009E-02 Diamond 0.7110609E-03 Metallicity 0.5643569E+00 Ellipticity -0.1952913E+01 Gb(Abramov) 0.5034493E-02 Vb(Abramov) -0.3450976E-02 Hb(Abramov) 0.1583517E-02 Ex_ueg -0.8654344E-03 Ec_ueg -0.2047381E-03 Delta_ex -0.1285603E-02 Delta_ec 0.6673585E-03 Delta_et -0.3955251E-02 Pxc 0.4227032E+01 Qxc -0.1926406E+01 3,+1 86 3 +1 -0.609118 -1.003026 -1.896717 Rho 0.6291223E-02 |GRAD(Rho)| 0.1025743E-16 GRAD(Rho)x -0.5664956E-17 GRAD(Rho)y -0.1436568E-17 GRAD(Rho)z -0.8429672E-17 Laplacian 0.2647813E-01 (-1/4)Del**2(Rho)) -0.6619532E-02 Diamond 0.4800510E-03 Metallicity 0.5579787E+00 Ellipticity -0.1291304E+01 Gb(Abramov) 0.5028615E-02 Vb(Abramov) -0.3437697E-02 Hb(Abramov) 0.1590918E-02 Ex_ueg -0.8577587E-03 Ec_ueg -0.2028957E-03 Delta_ex -0.1130396E-02 Delta_ec 0.3931586E-03 Delta_et -0.2459683E-02 Pxc 0.4227585E+01 Qxc -0.2875165E+01 3,+1 87 3 +1 0.566678 0.378843 -1.680670 Rho 0.6217171E-02 |GRAD(Rho)| 0.9549967E-17 GRAD(Rho)x -0.3496552E-17 GRAD(Rho)y 0.6667843E-17 GRAD(Rho)z 0.5875021E-17 Laplacian 0.2619079E-01 (-1/4)Del**2(Rho)) -0.6547699E-02 Diamond 0.4687094E-03 Metallicity 0.5530773E+00 Ellipticity -0.1289257E+01 Gb(Abramov) 0.4968696E-02 Vb(Abramov) -0.3389694E-02 Hb(Abramov) 0.1579002E-02 Ex_ueg -0.8443233E-03 Ec_ueg -0.1996629E-03 Delta_ex -0.1115910E-02 Delta_ec 0.3906671E-03 Delta_et -0.2434949E-02 Pxc 0.4228744E+01 Qxc -0.2856421E+01 3,+1 88 3 +3 -0.716831 -1.711293 -1.832623 Rho 0.4741797E-02 |GRAD(Rho)| 0.4107807E-17 GRAD(Rho)x -0.1256997E-17 GRAD(Rho)y -0.1029992E-17 GRAD(Rho)z -0.3772685E-17 Laplacian 0.2009268E-01 (-1/4)Del**2(Rho)) -0.5023169E-02 Diamond 0.1452958E-03 Metallicity 0.4590010E+00 Ellipticity -0.4165825E+00 Gb(Abramov) 0.3733053E-02 Vb(Abramov) -0.2442936E-02 Hb(Abramov) 0.1290116E-02 Ex_ueg -0.5883589E-03 Ec_ueg -0.1358183E-03 Delta_ex -0.6988185E-03 Delta_ec 0.1148562E-03 Delta_et -0.8244231E-03 Pxc 0.4331958E+01 Qxc -0.6084289E+01 3,+3 89 3 +3 -1.535689 0.687838 0.062799 Rho 0.2599138E-02 |GRAD(Rho)| 0.5387315E-17 GRAD(Rho)x 0.3131057E-17 GRAD(Rho)y 0.4009854E-17 GRAD(Rho)z -0.1772205E-17 Laplacian 0.1056386E-01 (-1/4)Del**2(Rho)) -0.2640966E-02 Diamond 0.3862141E-04 Metallicity 0.3205084E+00 Ellipticity -0.3635248E+00 Gb(Abramov) 0.1901719E-02 Vb(Abramov) -0.1162472E-02 Hb(Abramov) 0.7392466E-03 Ex_ueg -0.2639313E-03 Ec_ueg -0.4510376E-04 Delta_ex -0.3241823E-03 Delta_ec 0.7967284E-04 Delta_et -0.4598652E-03 Pxc 0.5851647E+01 Qxc -0.4068919E+01 3,+3 90 3 +1 0.789247 -0.689552 0.578016 Rho 0.6290749E-02 |GRAD(Rho)| 0.7738171E-15 GRAD(Rho)x 0.4679146E-15 GRAD(Rho)y 0.1054285E-15 GRAD(Rho)z 0.6072345E-15 Laplacian 0.2648181E-01 (-1/4)Del**2(Rho)) -0.6620454E-02 Diamond 0.4801590E-03 Metallicity 0.5578311E+00 Ellipticity -0.1291286E+01 Gb(Abramov) 0.5029152E-02 Vb(Abramov) -0.3437850E-02 Hb(Abramov) 0.1591302E-02 Ex_ueg -0.8576727E-03 Ec_ueg -0.2028750E-03 Delta_ex -0.1130594E-02 Delta_ec 0.3933234E-03 Delta_et -0.2460574E-02 Pxc 0.4227591E+01 Qxc -0.2874464E+01 3,+1 91 3 +3 0.753936 -1.380883 0.772079 Rho 0.4743443E-02 |GRAD(Rho)| 0.3466931E-17 GRAD(Rho)x -0.3659182E-18 GRAD(Rho)y 0.3442342E-17 GRAD(Rho)z -0.1897354E-18 Laplacian 0.2009928E-01 (-1/4)Del**2(Rho)) -0.5024820E-02 Diamond 0.1454024E-03 Metallicity 0.4591156E+00 Ellipticity -0.4158570E+00 Gb(Abramov) 0.3734376E-02 Vb(Abramov) -0.2443931E-02 Hb(Abramov) 0.1290444E-02 Ex_ueg -0.5886312E-03 Ec_ueg -0.1358888E-03 Delta_ex -0.6991040E-03 Delta_ec 0.1148763E-03 Delta_et -0.8246637E-03 Pxc 0.4331711E+01 Qxc -0.6085711E+01 3,+3 92 3 -1 0.777085 -0.746238 3.024952 Rho 0.1346501E+00 |GRAD(Rho)| 0.5226970E-13 GRAD(Rho)x 0.3451476E-13 GRAD(Rho)y 0.3246782E-13 GRAD(Rho)z 0.2206114E-13 Laplacian 0.5112547E+00 (-1/4)Del**2(Rho)) -0.1278137E+00 Diamond 0.9172341E+00 Metallicity 0.4767824E+01 Ellipticity 0.5655868E-01 Gb(Abramov) 0.1867746E+00 Vb(Abramov) -0.2457356E+00 Hb(Abramov) -0.5896097E-01 Ex_ueg -0.5097148E-01 Ec_ueg -0.7468263E-02 Delta_ex -0.5355900E-01 Delta_ec 0.1346648E-01 Delta_et -0.1767117E+00 Pxc 0.6825078E+01 Qxc -0.3977209E+01 3,-1 93 3 +1 1.068560 0.492494 -0.788920 Rho 0.6225673E-02 |GRAD(Rho)| 0.5556023E-15 GRAD(Rho)x 0.1418977E-15 GRAD(Rho)y -0.5298128E-15 GRAD(Rho)z -0.8864200E-16 Laplacian 0.2625387E-01 (-1/4)Del**2(Rho)) -0.6563466E-02 Diamond 0.4709151E-03 Metallicity 0.5530068E+00 Ellipticity -0.1289174E+01 Gb(Abramov) 0.4980584E-02 Vb(Abramov) -0.3397703E-02 Hb(Abramov) 0.1582882E-02 Ex_ueg -0.8458633E-03 Ec_ueg -0.2000339E-03 Delta_ex -0.1119111E-02 Delta_ec 0.3918623E-03 Delta_et -0.2443076E-02 Pxc 0.4228599E+01 Qxc -0.2855877E+01 3,+1 94 3 -1 0.203438 -0.086732 2.055580 Rho 0.9577068E-01 |GRAD(Rho)| 0.2584619E-13 GRAD(Rho)x 0.1529257E-13 GRAD(Rho)y 0.2065456E-13 GRAD(Rho)z -0.2748124E-14 Laplacian 0.3578029E+00 (-1/4)Del**2(Rho)) -0.8945073E-01 Diamond 0.4097618E+00 Metallicity 0.3860915E+01 Ellipticity 0.1474324E-01 Gb(Abramov) 0.1171941E+00 Vb(Abramov) -0.1449375E+00 Hb(Abramov) -0.2774336E-01 Ex_ueg -0.3236149E-01 Ec_ueg -0.5069575E-02 Delta_ex -0.3429187E-01 Delta_ec 0.9663572E-02 Delta_et -0.1185385E+00 Pxc 0.6383472E+01 Qxc -0.3548571E+01 3,-1 95 3 -1 1.245202 1.021876 2.093603 Rho 0.1411173E+00 |GRAD(Rho)| 0.5002374E-13 GRAD(Rho)x -0.7100355E-14 GRAD(Rho)y -0.3883509E-13 GRAD(Rho)z 0.3072125E-13 Laplacian 0.5976049E+00 (-1/4)Del**2(Rho)) -0.1494012E+00 Diamond 0.1131535E+01 Metallicity 0.4410620E+01 Ellipticity 0.1046675E-01 Gb(Abramov) 0.2094261E+00 Vb(Abramov) -0.2694511E+00 Hb(Abramov) -0.6002492E-01 Ex_ueg -0.5426155E-01 Ec_ueg -0.7877342E-02 Delta_ex -0.6329118E-01 Delta_ec 0.1551012E-01 Delta_et -0.2049084E+00 Pxc 0.6888306E+01 Qxc -0.4080638E+01 3,-1 96 3 +1 -1.423677 -0.689507 2.352220 Rho 0.3999544E-01 |GRAD(Rho)| 0.1676862E-15 GRAD(Rho)x 0.1214874E-15 GRAD(Rho)y -0.5104209E-16 GRAD(Rho)z 0.1037024E-15 Laplacian 0.1433100E+00 (-1/4)Del**2(Rho)) -0.3582749E-01 Diamond 0.2722535E-01 Metallicity 0.2249163E+01 Ellipticity -0.2948744E+01 Gb(Abramov) 0.3731530E-01 Vb(Abramov) -0.3880311E-01 Hb(Abramov) -0.1487812E-02 Ex_ueg -0.1010181E-01 Ec_ueg -0.1869822E-02 Delta_ex -0.9623905E-02 Delta_ec 0.1540499E-02 Delta_et -0.1499550E-01 Pxc 0.5402549E+01 Qxc -0.6247266E+01 3,+1 97 3 +3 -0.821341 -1.611915 -0.049007 Rho 0.3090220E-02 |GRAD(Rho)| 0.2339449E-14 GRAD(Rho)x -0.2085405E-14 GRAD(Rho)y -0.4087679E-15 GRAD(Rho)z 0.9782705E-15 Laplacian 0.1295297E-01 (-1/4)Del**2(Rho)) -0.3238244E-02 Diamond 0.5983109E-04 Metallicity 0.3487863E+00 Ellipticity -0.2846478E+00 Gb(Abramov) 0.2347072E-02 Vb(Abramov) -0.1455900E-02 Hb(Abramov) 0.8911720E-03 Ex_ueg -0.3324331E-03 Ec_ueg -0.6567632E-04 Delta_ex -0.4151813E-03 Delta_ec 0.9768561E-04 Delta_et -0.5875493E-03 Pxc 0.5061690E+01 Qxc -0.4250179E+01 3,+3 98 3 +1 1.694281 -1.944233 -0.625160 Rho 0.3174868E-01 |GRAD(Rho)| 0.3826368E-16 GRAD(Rho)x 0.3529356E-16 GRAD(Rho)y -0.9750946E-17 GRAD(Rho)z 0.1110824E-16 Laplacian 0.1259377E+00 (-1/4)Del**2(Rho)) -0.3148441E-01 Diamond 0.2191489E-01 Metallicity 0.1741808E+01 Ellipticity -0.3990377E+01 Gb(Abramov) 0.3012958E-01 Vb(Abramov) -0.2877474E-01 Hb(Abramov) 0.1354836E-02 Ex_ueg -0.7424820E-02 Ec_ueg -0.1434154E-02 Delta_ex -0.8275558E-02 Delta_ec 0.1998971E-02 Delta_et -0.1868990E-01 Pxc 0.5177143E+01 Qxc -0.4139908E+01 3,+1 99 3 +1 -0.619440 2.654929 -1.510853 Rho 0.4021147E-01 |GRAD(Rho)| 0.7357606E-16 GRAD(Rho)x -0.5937410E-16 GRAD(Rho)y 0.1184479E-16 GRAD(Rho)z 0.4180734E-16 Laplacian 0.1442839E+00 (-1/4)Del**2(Rho)) -0.3607096E-01 Diamond 0.2759608E-01 Metallicity 0.2254128E+01 Ellipticity -0.2952492E+01 Gb(Abramov) 0.3759874E-01 Vb(Abramov) -0.3912652E-01 Hb(Abramov) -0.1527776E-02 Ex_ueg -0.1017462E-01 Ec_ueg -0.1881412E-02 Delta_ex -0.9703177E-02 Delta_ec 0.1548801E-02 Delta_et -0.1508801E-01 Pxc 0.5407972E+01 Qxc -0.6264959E+01 3,+1 100 3 -1 2.220717 -1.143425 -2.731298 Rho 0.1373933E+00 |GRAD(Rho)| 0.8907293E-15 GRAD(Rho)x 0.7093257E-15 GRAD(Rho)y 0.7957536E-16 GRAD(Rho)z 0.5328447E-15 Laplacian 0.5371148E+00 (-1/4)Del**2(Rho)) -0.1342787E+00 Diamond 0.9856436E+00 Metallicity 0.4693410E+01 Ellipticity 0.4330594E-01 Gb(Abramov) 0.1945567E+00 Vb(Abramov) -0.2548346E+00 Hb(Abramov) -0.6027795E-01 Ex_ueg -0.5236074E-01 Ec_ueg -0.7641454E-02 Delta_ex -0.5652529E-01 Delta_ec 0.1404680E-01 Delta_et -0.1848492E+00 Pxc 0.6852196E+01 Qxc -0.4024068E+01 3,-1 101 3 +1 1.896254 -1.071185 -1.658292 Rho 0.3194519E-01 |GRAD(Rho)| 0.2242655E-16 GRAD(Rho)x 0.1773286E-16 GRAD(Rho)y -0.2799832E-17 GRAD(Rho)z -0.1344086E-16 Laplacian 0.1270302E+00 (-1/4)Del**2(Rho)) -0.3175756E-01 Diamond 0.2233345E-01 Metallicity 0.1744678E+01 Ellipticity -0.4043651E+01 Gb(Abramov) 0.3040616E-01 Vb(Abramov) -0.2905476E-01 Hb(Abramov) 0.1351400E-02 Ex_ueg -0.7486160E-02 Ec_ueg -0.1444372E-02 Delta_ex -0.8364534E-02 Delta_ec 0.2021804E-02 Delta_et -0.1892966E-01 Pxc 0.5182985E+01 Qxc -0.4137164E+01 3,+1 102 3 +1 1.380662 -1.942262 0.932167 Rho 0.6348189E-02 |GRAD(Rho)| 0.5608786E-17 GRAD(Rho)x 0.1372193E-17 GRAD(Rho)y -0.6530624E-18 GRAD(Rho)z -0.5398988E-17 Laplacian 0.2678644E-01 (-1/4)Del**2(Rho)) -0.6696610E-02 Diamond 0.7416859E-03 Metallicity 0.5599053E+00 Ellipticity -0.2034628E+01 Gb(Abramov) 0.5089318E-02 Vb(Abramov) -0.3482026E-02 Hb(Abramov) 0.1607292E-02 Ex_ueg -0.8681302E-03 Ec_ueg -0.2053844E-03 Delta_ex -0.1314971E-02 Delta_ec 0.6992967E-03 Delta_et -0.4135639E-02 Pxc 0.4226856E+01 Qxc -0.1880420E+01 3,+1 103 3 -1 2.987264 -0.970850 -1.379575 Rho 0.1392557E+00 |GRAD(Rho)| 0.1322996E-15 GRAD(Rho)x 0.4013803E-16 GRAD(Rho)y 0.2534323E-17 GRAD(Rho)z 0.1260385E-15 Laplacian 0.5441868E+00 (-1/4)Del**2(Rho)) -0.1360467E+00 Diamond 0.1014940E+01 Metallicity 0.4737546E+01 Ellipticity 0.4503715E-01 Gb(Abramov) 0.1981191E+00 Vb(Abramov) -0.2601914E+00 Hb(Abramov) -0.6207235E-01 Ex_ueg -0.5330922E-01 Ec_ueg -0.7759312E-02 Delta_ex -0.5745737E-01 Delta_ec 0.1418616E-01 Delta_et -0.1870734E+00 Pxc 0.6870354E+01 Qxc -0.4050240E+01 3,-1 104 3 -1 1.849988 -0.992076 -0.685851 Rho 0.6321046E-01 |GRAD(Rho)| 0.5717175E-15 GRAD(Rho)x 0.3767586E-15 GRAD(Rho)y -0.1254805E-15 GRAD(Rho)z -0.4113010E-15 Laplacian 0.2420393E+00 (-1/4)Del**2(Rho)) -0.6050981E-01 Diamond 0.1665272E+00 Metallicity 0.2855676E+01 Ellipticity 0.4710155E-01 Gb(Abramov) 0.6913928E-01 Vb(Abramov) -0.7776875E-01 Hb(Abramov) -0.8629467E-02 Ex_ueg -0.1859675E-01 Ec_ueg -0.3157156E-02 Delta_ex -0.2107473E-01 Delta_ec 0.7073520E-02 Delta_et -0.7913816E-01 Pxc 0.5890347E+01 Qxc -0.2979384E+01 3,-1 105 3 -1 2.601431 -0.773362 0.595432 Rho 0.1483648E+00 |GRAD(Rho)| 0.6346117E-15 GRAD(Rho)x 0.1133804E-15 GRAD(Rho)y -0.5210269E-16 GRAD(Rho)z -0.6222236E-15 Laplacian 0.6227065E+00 (-1/4)Del**2(Rho)) -0.1556766E+00 Diamond 0.1251022E+01 Metallicity 0.4601308E+01 Ellipticity 0.8875974E-02 Gb(Abramov) 0.2231704E+00 Vb(Abramov) -0.2906642E+00 Hb(Abramov) -0.6749381E-01 Ex_ueg -0.5800868E-01 Ec_ueg -0.8338921E-02 Delta_ex -0.6674972E-01 Delta_ec 0.1594378E-01 Delta_et -0.2121475E+00 Pxc 0.6956377E+01 Qxc -0.4186569E+01 3,-1 106 3 +1 1.965443 0.501477 -1.891371 Rho 0.6398574E-02 |GRAD(Rho)| 0.7050351E-13 GRAD(Rho)x 0.3829624E-14 GRAD(Rho)y -0.5167370E-13 GRAD(Rho)z -0.4781117E-13 Laplacian 0.2697244E-01 (-1/4)Del**2(Rho)) -0.6743111E-02 Diamond 0.7715775E-03 Metallicity 0.5634190E+00 Ellipticity -0.2184583E+01 Gb(Abramov) 0.5128607E-02 Vb(Abramov) -0.3514103E-02 Hb(Abramov) 0.1614504E-02 Ex_ueg -0.8773293E-03 Ec_ueg -0.2075869E-03 Delta_ex -0.1337512E-02 Delta_ec 0.7241229E-03 Delta_et -0.4282972E-02 Pxc 0.4226323E+01 Qxc -0.1847079E+01 3,+1 107 3 -1 3.910689 -0.905422 -0.182744 Rho 0.2348135E+00 |GRAD(Rho)| 0.1574647E-13 GRAD(Rho)x -0.8972749E-14 GRAD(Rho)y 0.1268032E-13 GRAD(Rho)z -0.2578856E-14 Laplacian 0.8945075E+00 (-1/4)Del**2(Rho)) -0.2236269E+00 Diamond 0.3049851E+01 Metallicity 0.6884953E+01 Ellipticity 0.1591881E-02 Gb(Abramov) 0.4056947E+00 Vb(Abramov) -0.5877625E+00 Hb(Abramov) -0.1820678E+00 Ex_ueg -0.1069915E+00 Ec_ueg -0.1408132E-01 Delta_ex -0.1072870E+00 Delta_ec 0.1957831E-01 Delta_et -0.2696442E+00 Pxc 0.7598112E+01 Qxc -0.5479888E+01 3,-1 108 3 +3 -1.624804 1.019167 -1.555343 Rho 0.4510675E-02 |GRAD(Rho)| 0.5024045E-14 GRAD(Rho)x -0.4255222E-15 GRAD(Rho)y -0.1377360E-14 GRAD(Rho)z -0.4812778E-14 Laplacian 0.1948426E-01 (-1/4)Del**2(Rho)) -0.4871066E-02 Diamond 0.1433675E-03 Metallicity 0.4355103E+00 Ellipticity -0.4324048E+00 Gb(Abramov) 0.3600944E-02 Vb(Abramov) -0.2330822E-02 Hb(Abramov) 0.1270122E-02 Ex_ueg -0.5504364E-03 Ec_ueg -0.1259163E-03 Delta_ex -0.6810901E-03 Delta_ec 0.1337371E-03 Delta_et -0.9000955E-03 Pxc 0.4371446E+01 Qxc -0.5092755E+01 3,+3 109 3 +1 -1.581449 -1.036519 0.307510 Rho 0.5354502E-02 |GRAD(Rho)| 0.1469171E-13 GRAD(Rho)x 0.3930226E-14 GRAD(Rho)y -0.3137259E-14 GRAD(Rho)z 0.1380425E-13 Laplacian 0.2201513E-01 (-1/4)Del**2(Rho)) -0.5503783E-02 Diamond 0.3728512E-03 Metallicity 0.5129681E+00 Ellipticity -0.1396973E+01 Gb(Abramov) 0.4139733E-02 Vb(Abramov) -0.2775683E-02 Hb(Abramov) 0.1364050E-02 Ex_ueg -0.6918477E-03 Ec_ueg -0.1622002E-03 Delta_ex -0.9481169E-03 Delta_ec 0.4056268E-03 Delta_et -0.2363981E-02 Pxc 0.4265393E+01 Qxc -0.2337412E+01 3,+1 110 3 +1 -2.568687 -1.513105 -2.076078 Rho 0.4050390E-01 |GRAD(Rho)| 0.6226405E-16 GRAD(Rho)x 0.2534292E-16 GRAD(Rho)y 0.4237611E-16 GRAD(Rho)z 0.3793169E-16 Laplacian 0.1479069E+00 (-1/4)Del**2(Rho)) -0.3697673E-01 Diamond 0.2916802E-01 Metallicity 0.2225629E+01 Ellipticity -0.3065870E+01 Gb(Abramov) 0.3836723E-01 Vb(Abramov) -0.3975773E-01 Hb(Abramov) -0.1390502E-02 Ex_ueg -0.1027340E-01 Ec_ueg -0.1897114E-02 Delta_ex -0.1000143E-01 Delta_ec 0.1647974E-02 Delta_et -0.1609242E-01 Pxc 0.5415278E+01 Qxc -0.6068927E+01 3,+1 111 3 -1 -2.466248 -1.622750 -1.112346 Rho 0.9615633E-01 |GRAD(Rho)| 0.4242489E-12 GRAD(Rho)x 0.4105879E-12 GRAD(Rho)y 0.3353358E-13 GRAD(Rho)z -0.1013913E-12 Laplacian 0.3591960E+00 (-1/4)Del**2(Rho)) -0.8979900E-01 Diamond 0.4133121E+00 Metallicity 0.3871787E+01 Ellipticity 0.1505565E-01 Gb(Abramov) 0.1178131E+00 Vb(Abramov) -0.1458272E+00 Hb(Abramov) -0.2801410E-01 Ex_ueg -0.3253535E-01 Ec_ueg -0.5092810E-02 Delta_ex -0.3445694E-01 Delta_ec 0.9691085E-02 Delta_et -0.1189684E+00 Pxc 0.6388488E+01 Qxc -0.3555529E+01 3,-1 112 3 -1 -2.807527 -1.076784 1.001951 Rho 0.6973275E-02 |GRAD(Rho)| 0.4696375E-15 GRAD(Rho)x -0.2166795E-16 GRAD(Rho)y -0.3733378E-16 GRAD(Rho)z 0.4676495E-15 Laplacian 0.2806071E-01 (-1/4)Del**2(Rho)) -0.7015177E-02 Diamond 0.1205347E-02 Metallicity 0.6250421E+00 Ellipticity 0.1571245E+01 Gb(Abramov) 0.5407581E-02 Vb(Abramov) -0.3799986E-02 Hb(Abramov) 0.1607595E-02 Ex_ueg -0.9839374E-03 Ec_ueg -0.2327949E-03 Delta_ex -0.1598159E-02 Delta_ec 0.1076673E-02 Delta_et -0.6385308E-02 Pxc 0.4226629E+01 Qxc -0.1484349E+01 3,-1 113 3 -1 -2.680979 -1.515446 -3.098069 Rho 0.1331811E+00 |GRAD(Rho)| 0.5448487E-13 GRAD(Rho)x 0.1631011E-13 GRAD(Rho)y 0.4908629E-13 GRAD(Rho)z -0.1712068E-13 Laplacian 0.5054764E+00 (-1/4)Del**2(Rho)) -0.1263691E+00 Diamond 0.8950500E+00 Metallicity 0.4734964E+01 Ellipticity 0.5462046E-01 Gb(Abramov) 0.1839716E+00 Vb(Abramov) -0.2415741E+00 Hb(Abramov) -0.5760250E-01 Ex_ueg -0.5023140E-01 Ec_ueg -0.7375721E-02 Delta_ex -0.5281424E-01 Delta_ec 0.1335047E-01 Delta_et -0.1748842E+00 Pxc 0.6810372E+01 Qxc -0.3955982E+01 3,-1 114 3 +3 -2.066540 -0.771361 0.548073 Rho 0.4502678E-02 |GRAD(Rho)| 0.9065479E-14 GRAD(Rho)x 0.6102117E-14 GRAD(Rho)y -0.5800955E-14 GRAD(Rho)z -0.3360950E-14 Laplacian 0.1944133E-01 (-1/4)Del**2(Rho)) -0.4860334E-02 Diamond 0.1429312E-03 Metallicity 0.4351830E+00 Ellipticity -0.4374006E+00 Gb(Abramov) 0.3592745E-02 Vb(Abramov) -0.2325156E-02 Hb(Abramov) 0.1267589E-02 Ex_ueg -0.5491355E-03 Ec_ueg -0.1255742E-03 Delta_ex -0.6795101E-03 Delta_ec 0.1338707E-03 Delta_et -0.8998453E-03 Pxc 0.4372997E+01 Qxc -0.5075868E+01 3,+3 115 3 +1 -2.605549 -1.027279 1.303807 Rho 0.6765313E-02 |GRAD(Rho)| 0.3168711E-13 GRAD(Rho)x 0.2158678E-13 GRAD(Rho)y -0.1827131E-13 GRAD(Rho)z 0.1429137E-13 Laplacian 0.2828671E-01 (-1/4)Del**2(Rho)) -0.7071677E-02 Diamond 0.8203727E-03 Metallicity 0.5895363E+00 Ellipticity -0.1990510E+01 Gb(Abramov) 0.5409286E-02 Vb(Abramov) -0.3746896E-02 Hb(Abramov) 0.1662391E-02 Ex_ueg -0.9450082E-03 Ec_ueg -0.2236549E-03 Delta_ex -0.1387063E-02 Delta_ec 0.7018367E-03 Delta_et -0.4245567E-02 Pxc 0.4225296E+01 Qxc -0.1976334E+01 3,+1 116 3 -1 -1.871672 -3.034668 -1.090019 Rho 0.1383992E+00 |GRAD(Rho)| 0.3927595E-15 GRAD(Rho)x -0.3797960E-15 GRAD(Rho)y 0.9794411E-16 GRAD(Rho)z -0.2054224E-16 Laplacian 0.5867786E+00 (-1/4)Del**2(Rho)) -0.1466946E+00 Diamond 0.1088989E+01 Metallicity 0.4348722E+01 Ellipticity 0.1303740E-01 Gb(Abramov) 0.2041188E+00 Vb(Abramov) -0.2615429E+00 Hb(Abramov) -0.5742415E-01 Ex_ueg -0.5287250E-01 Ec_ueg -0.7705084E-02 Delta_ex -0.6189150E-01 Delta_ec 0.1537267E-01 Delta_et -0.2026357E+00 Pxc 0.6862028E+01 Qxc -0.4026074E+01 3,-1 117 3 +1 -1.032842 -2.974968 0.242946 Rho 0.1193473E-01 |GRAD(Rho)| 0.1937934E-13 GRAD(Rho)x -0.1672337E-13 GRAD(Rho)y 0.4195523E-14 GRAD(Rho)z 0.8847901E-14 Laplacian 0.6025154E-01 (-1/4)Del**2(Rho)) -0.1506289E-01 Diamond 0.2421195E-02 Metallicity 0.7128524E+00 Ellipticity -0.1247370E+01 Gb(Abramov) 0.1183153E-01 Vb(Abramov) -0.8600167E-02 Hb(Abramov) 0.3231360E-02 Ex_ueg -0.2014352E-02 Ec_ueg -0.4565570E-03 Delta_ex -0.2964619E-02 Delta_ec 0.7950023E-03 Delta_et -0.5943273E-02 Pxc 0.4412050E+01 Qxc -0.3729070E+01 3,+1 118 3 -1 -1.172042 -2.982468 2.878144 Rho 0.2277392E+00 |GRAD(Rho)| 0.3435555E-13 GRAD(Rho)x -0.2521486E-13 GRAD(Rho)y -0.2267685E-13 GRAD(Rho)z -0.5502326E-14 Laplacian 0.9070872E+00 (-1/4)Del**2(Rho)) -0.2267718E+00 Diamond 0.2964849E+01 Metallicity 0.6451990E+01 Ellipticity 0.5768031E-02 Gb(Abramov) 0.3950361E+00 Vb(Abramov) -0.5633004E+00 Hb(Abramov) -0.1682643E+00 Ex_ueg -0.1027154E+00 Ec_ueg -0.1359568E-01 Delta_ex -0.1078395E+00 Delta_ec 0.1986865E-01 Delta_et -0.2726435E+00 Pxc 0.7555001E+01 Qxc -0.5427623E+01 3,-1 119 3 +1 -0.727738 0.167395 -0.980336 Rho 0.5803609E-02 |GRAD(Rho)| 0.8157428E-17 GRAD(Rho)x 0.3957338E-17 GRAD(Rho)y -0.6816921E-17 GRAD(Rho)z 0.2100642E-17 Laplacian 0.2201649E-01 (-1/4)Del**2(Rho)) -0.5504122E-02 Diamond 0.4200811E-03 Metallicity 0.5866269E+00 Ellipticity -0.1551129E+01 Gb(Abramov) 0.4207559E-02 Vb(Abramov) -0.2910996E-02 Hb(Abramov) 0.1296563E-02 Ex_ueg -0.7702810E-03 Ec_ueg -0.1816576E-03 Delta_ex -0.9691336E-03 Delta_ec 0.4115405E-03 Delta_et -0.2448865E-02 Pxc 0.4240291E+01 Qxc -0.2354892E+01 3,+1 120 3 +1 -0.523754 0.373232 2.517541 Rho 0.4000270E-01 |GRAD(Rho)| 0.5087492E-09 GRAD(Rho)x 0.5026194E-09 GRAD(Rho)y -0.5587369E-10 GRAD(Rho)z 0.5547626E-10 Laplacian 0.1438242E+00 (-1/4)Del**2(Rho)) -0.3595605E-01 Diamond 0.2745481E-01 Metallicity 0.2241799E+01 Ellipticity -0.2970929E+01 Gb(Abramov) 0.3740508E-01 Vb(Abramov) -0.3885410E-01 Hb(Abramov) -0.1449024E-02 Ex_ueg -0.1010425E-01 Ec_ueg -0.1870212E-02 Delta_ex -0.9666190E-02 Delta_ec 0.1558960E-02 Delta_et -0.1517976E-01 Pxc 0.5402732E+01 Qxc -0.6200409E+01 3,+1 121 3 -1 0.649267 1.409446 -3.106584 Rho 0.1285897E+00 |GRAD(Rho)| 0.1609636E-15 GRAD(Rho)x 0.1112324E-15 GRAD(Rho)y -0.1118626E-15 GRAD(Rho)z -0.3199074E-16 Laplacian 0.5450193E+00 (-1/4)Del**2(Rho)) -0.1362548E+00 Diamond 0.9283905E+00 Metallicity 0.4142013E+01 Ellipticity 0.8928414E-02 Gb(Abramov) 0.1848981E+00 Vb(Abramov) -0.2335413E+00 Hb(Abramov) -0.4864326E-01 Ex_ueg -0.4793578E-01 Ec_ueg -0.7087382E-02 Delta_ex -0.5650557E-01 Delta_ec 0.1458459E-01 Delta_et -0.1900818E+00 Pxc 0.6763539E+01 Qxc -0.3874335E+01 3,-1 122 3 -1 -1.336758 -0.525363 0.104537 Rho 0.6522370E-02 |GRAD(Rho)| 0.4104737E-16 GRAD(Rho)x 0.2211772E-16 GRAD(Rho)y -0.2129674E-16 GRAD(Rho)z 0.2724227E-16 Laplacian 0.2461347E-01 (-1/4)Del**2(Rho)) -0.6153367E-02 Diamond 0.1051279E-02 Metallicity 0.6374548E+00 Ellipticity 0.2116533E+00 Gb(Abramov) 0.4755994E-02 Vb(Abramov) -0.3358620E-02 Hb(Abramov) 0.1397374E-02 Ex_ueg -0.9000341E-03 Ec_ueg -0.2130036E-03 Delta_ex -0.1439650E-02 Delta_ec 0.1043179E-02 Delta_et -0.6030561E-02 Pxc 0.4225441E+01 Qxc -0.1380060E+01 3,-1 123 3 -1 -1.094652 0.493911 -1.073793 Rho 0.6540929E-02 |GRAD(Rho)| 0.1277566E-15 GRAD(Rho)x 0.1072123E-15 GRAD(Rho)y -0.6889258E-16 GRAD(Rho)z -0.9003960E-17 Laplacian 0.2467131E-01 (-1/4)Del**2(Rho)) -0.6167827E-02 Diamond 0.1059975E-02 Metallicity 0.6389792E+00 Ellipticity 0.2072007E+00 Gb(Abramov) 0.4768737E-02 Vb(Abramov) -0.3369647E-02 Hb(Abramov) 0.1399090E-02 Ex_ueg -0.9034504E-03 Ec_ueg -0.2138163E-03 Delta_ex -0.1445195E-02 Delta_ec 0.1048174E-02 Delta_et -0.6063991E-02 Pxc 0.4225358E+01 Qxc -0.1378774E+01 3,-1 124 3 +1 -0.770571 -1.674689 -1.123081 Rho 0.6245480E-02 |GRAD(Rho)| 0.8716733E-17 GRAD(Rho)x -0.8422896E-17 GRAD(Rho)y 0.2154852E-17 GRAD(Rho)z 0.6268044E-18 Laplacian 0.2628471E-01 (-1/4)Del**2(Rho)) -0.6571176E-02 Diamond 0.4726451E-03 Metallicity 0.5552898E+00 Ellipticity -0.1290624E+01 Gb(Abramov) 0.4988935E-02 Vb(Abramov) -0.3406695E-02 Hb(Abramov) 0.1582241E-02 Ex_ueg -0.8494532E-03 Ec_ueg -0.2008984E-03 Delta_ex -0.1120697E-02 Delta_ec 0.3912648E-03 Delta_et -0.2442286E-02 Pxc 0.4228272E+01 Qxc -0.2864293E+01 3,+1 125 3 +1 -0.176354 0.293216 -0.002065 Rho 0.5798094E-02 |GRAD(Rho)| 0.1979052E-16 GRAD(Rho)x 0.4994106E-17 GRAD(Rho)y -0.1912262E-16 GRAD(Rho)z 0.1024275E-17 Laplacian 0.2199094E-01 (-1/4)Del**2(Rho)) -0.5497734E-02 Diamond 0.4200856E-03 Metallicity 0.5863788E+00 Ellipticity -0.1554409E+01 Gb(Abramov) 0.4202448E-02 Vb(Abramov) -0.2907163E-02 Hb(Abramov) 0.1295286E-02 Ex_ueg -0.7693053E-03 Ec_ueg -0.1814181E-03 Delta_ex -0.9685835E-03 Delta_ec 0.4124658E-03 Delta_et -0.2452783E-02 Pxc 0.4240511E+01 Qxc -0.2348276E+01 3,+1 126 3 -1 -0.741933 -0.722192 -0.990830 Rho 0.1258523E-01 |GRAD(Rho)| 0.3942017E-13 GRAD(Rho)x 0.3010168E-13 GRAD(Rho)y 0.2545257E-13 GRAD(Rho)z -0.7426785E-16 Laplacian 0.4983739E-01 (-1/4)Del**2(Rho)) -0.1245935E-01 Diamond 0.5538457E-02 Metallicity 0.9415129E+00 Ellipticity 0.2205185E+00 Gb(Abramov) 0.1026134E-01 Vb(Abramov) -0.8063329E-02 Hb(Abramov) 0.2198010E-02 Ex_ueg -0.2162054E-02 Ec_ueg -0.4866521E-03 Delta_ex -0.3404634E-02 Delta_ec 0.2296404E-02 Delta_et -0.1618589E-01 Pxc 0.4442709E+01 Qxc -0.1482594E+01 3,-1 127 3 -1 0.983135 -4.353455 -0.716035 Rho 0.2353018E+00 |GRAD(Rho)| 0.2899404E-14 GRAD(Rho)x 0.5916627E-15 GRAD(Rho)y -0.2838116E-14 GRAD(Rho)z -0.3972923E-16 Laplacian 0.8958949E+00 (-1/4)Del**2(Rho)) -0.2239737E+00 Diamond 0.3062544E+01 Metallicity 0.6898133E+01 Ellipticity 0.1241964E-02 Gb(Abramov) 0.4068159E+00 Vb(Abramov) -0.5896581E+00 Hb(Abramov) -0.1828422E+00 Ex_ueg -0.1072882E+00 Ec_ueg -0.1411495E-01 Delta_ex -0.1075134E+00 Delta_ec 0.1959972E-01 Delta_et -0.2699708E+00 Pxc 0.7601037E+01 Qxc -0.5485458E+01 3,-1 128 3 -1 1.061461 -3.231609 -1.730146 Rho 0.1420586E+00 |GRAD(Rho)| 0.3337275E-12 GRAD(Rho)x -0.7482289E-13 GRAD(Rho)y -0.5422091E-13 GRAD(Rho)z 0.3206801E-12 Laplacian 0.5549678E+00 (-1/4)Del**2(Rho)) -0.1387420E+00 Diamond 0.1059916E+01 Metallicity 0.4802398E+01 Ellipticity 0.4642265E-01 Gb(Abramov) 0.2035437E+00 Vb(Abramov) -0.2683453E+00 Hb(Abramov) -0.6480170E-01 Ex_ueg -0.5474468E-01 Ec_ueg -0.7937107E-02 Delta_ex -0.5887817E-01 Delta_ec 0.1439336E-01 Delta_et -0.1903727E+00 Pxc 0.6897310E+01 Qxc -0.4090649E+01 3,-1 129 3 +3 1.218720 0.572632 -1.479134 Rho 0.4729615E-02 |GRAD(Rho)| 0.5367641E-14 GRAD(Rho)x -0.1333182E-14 GRAD(Rho)y -0.4104368E-14 GRAD(Rho)z -0.3191922E-14 Laplacian 0.2004041E-01 (-1/4)Del**2(Rho)) -0.5010102E-02 Diamond 0.1441953E-03 Metallicity 0.4582295E+00 Ellipticity -0.4145157E+00 Gb(Abramov) 0.3722697E-02 Vb(Abramov) -0.2435293E-02 Hb(Abramov) 0.1287404E-02 Ex_ueg -0.5863445E-03 Ec_ueg -0.1352957E-03 Delta_ex -0.6963007E-03 Delta_ec 0.1141742E-03 Delta_et -0.8199660E-03 Pxc 0.4333801E+01 Qxc -0.6098581E+01 3,+3 130 3 +1 2.094978 0.679962 0.815500 Rho 0.1192838E-01 |GRAD(Rho)| 0.5337645E-16 GRAD(Rho)x 0.2487757E-16 GRAD(Rho)y -0.4526343E-16 GRAD(Rho)z -0.1346751E-16 Laplacian 0.6014875E-01 (-1/4)Del**2(Rho)) -0.1503719E-01 Diamond 0.2417945E-02 Metallicity 0.7134374E+00 Ellipticity -0.1254316E+01 Gb(Abramov) 0.1181281E-01 Vb(Abramov) -0.8588426E-02 Hb(Abramov) 0.3224381E-02 Ex_ueg -0.2012923E-02 Ec_ueg -0.4562639E-03 Delta_ex -0.2959917E-02 Delta_ec 0.7950207E-03 Delta_et -0.5941590E-02 Pxc 0.4411751E+01 Qxc -0.3723069E+01 3,+1 131 3 -1 1.880502 0.794105 -1.880299 Rho 0.6514484E-02 |GRAD(Rho)| 0.2733898E-14 GRAD(Rho)x -0.1614697E-14 GRAD(Rho)y 0.2115762E-14 GRAD(Rho)z 0.6249015E-15 Laplacian 0.2631715E-01 (-1/4)Del**2(Rho)) -0.6579288E-02 Diamond 0.1030216E-02 Metallicity 0.5949872E+00 Ellipticity 0.1687165E+01 Gb(Abramov) 0.5038624E-02 Vb(Abramov) -0.3497960E-02 Hb(Abramov) 0.1540664E-02 Ex_ueg -0.8985835E-03 Ec_ueg -0.2126583E-03 Delta_ex -0.1478930E-02 Delta_ec 0.1008198E-02 Delta_et -0.5857130E-02 Pxc 0.4225480E+01 Qxc -0.1466904E+01 3,-1 132 3 -1 0.741046 2.145987 -0.522624 Rho 0.9368081E-01 |GRAD(Rho)| 0.4279129E-15 GRAD(Rho)x 0.3665586E-15 GRAD(Rho)y 0.2168099E-15 GRAD(Rho)z 0.4168588E-16 Laplacian 0.3515398E+00 (-1/4)Del**2(Rho)) -0.8788496E-01 Diamond 0.3912395E+00 Metallicity 0.3787823E+01 Ellipticity 0.1551435E-01 Gb(Abramov) 0.1140721E+00 Vb(Abramov) -0.1402592E+00 Hb(Abramov) -0.2618712E-01 Ex_ueg -0.3142336E-01 Ec_ueg -0.4943875E-02 Delta_ex -0.3350418E-01 Delta_ec 0.9515296E-02 Delta_et -0.1161798E+00 Pxc 0.6356018E+01 Qxc -0.3521086E+01 3,-1 133 3 -1 2.388420 3.211241 0.083990 Rho 0.2280570E+00 |GRAD(Rho)| 0.1283399E-13 GRAD(Rho)x -0.1272653E-13 GRAD(Rho)y -0.1593994E-14 GRAD(Rho)z -0.4539554E-15 Laplacian 0.9095669E+00 (-1/4)Del**2(Rho)) -0.2273917E+00 Diamond 0.2977081E+01 Metallicity 0.6449376E+01 Ellipticity 0.4431092E-02 Gb(Abramov) 0.3960169E+00 Vb(Abramov) -0.5646421E+00 Hb(Abramov) -0.1686252E+00 Ex_ueg -0.1029066E+00 Ec_ueg -0.1361744E-01 Delta_ex -0.1081687E+00 Delta_ec 0.1990600E-01 Delta_et -0.2731329E+00 Pxc 0.7556968E+01 Qxc -0.5433975E+01 3,-1 134 3 -1 1.762890 -3.074744 -0.491979 Rho 0.1427035E+00 |GRAD(Rho)| 0.2841114E-13 GRAD(Rho)x 0.8825351E-14 GRAD(Rho)y 0.1825641E-14 GRAD(Rho)z 0.2694389E-13 Laplacian 0.5575091E+00 (-1/4)Del**2(Rho)) -0.1393773E+00 Diamond 0.1070359E+01 Metallicity 0.4816728E+01 Ellipticity 0.4717508E-01 Gb(Abramov) 0.2048086E+00 Vb(Abramov) -0.2702399E+00 Hb(Abramov) -0.6543130E-01 Ex_ueg -0.5507625E-01 Ec_ueg -0.7978079E-02 Delta_ex -0.5921076E-01 Delta_ec 0.1443916E-01 Delta_et -0.1910995E+00 Pxc 0.6903448E+01 Qxc -0.4100705E+01 3,-1 135 3 -1 -2.232076 -0.628682 -2.253001 Rho 0.9586072E-01 |GRAD(Rho)| 0.2557778E-10 GRAD(Rho)x 0.2277707E-11 GRAD(Rho)y -0.1518857E-11 GRAD(Rho)z 0.2543085E-10 Laplacian 0.3581990E+00 (-1/4)Del**2(Rho)) -0.8954976E-01 Diamond 0.4107793E+00 Metallicity 0.3862690E+01 Ellipticity 0.1491990E-01 Gb(Abramov) 0.1173503E+00 Vb(Abramov) -0.1451509E+00 Hb(Abramov) -0.2780058E-01 Ex_ueg -0.3240206E-01 Ec_ueg -0.5074998E-02 Delta_ex -0.3433916E-01 Delta_ec 0.9675429E-02 Delta_et -0.1187097E+00 Pxc 0.6384644E+01 Qxc -0.3549110E+01 3,-1 136 3 -1 -0.705448 1.662372 -3.163716 Rho 0.1379179E+00 |GRAD(Rho)| 0.6091281E-15 GRAD(Rho)x 0.4035807E-15 GRAD(Rho)y 0.3749984E-15 GRAD(Rho)z 0.2598765E-15 Laplacian 0.5806871E+00 (-1/4)Del**2(Rho)) -0.1451718E+00 Diamond 0.1071282E+01 Metallicity 0.4368897E+01 Ellipticity 0.9093829E-02 Gb(Abramov) 0.2024879E+00 Vb(Abramov) -0.2598041E+00 Hb(Abramov) -0.5731616E-01 Ex_ueg -0.5262746E-01 Ec_ueg -0.7674627E-02 Delta_ex -0.6117610E-01 Delta_ec 0.1518807E-01 Delta_et -0.2000179E+00 Pxc 0.6857330E+01 Qxc -0.4027904E+01 3,-1 137 3 -1 -2.169418 -0.197715 2.886606 Rho 0.1396038E+00 |GRAD(Rho)| 0.2028587E-14 GRAD(Rho)x 0.1568536E-16 GRAD(Rho)y 0.1977232E-14 GRAD(Rho)z -0.4532914E-15 Laplacian 0.5333802E+00 (-1/4)Del**2(Rho)) -0.1333451E+00 Diamond 0.1000119E+01 Metallicity 0.4853686E+01 Ellipticity 0.5941982E-01 Gb(Abramov) 0.1967659E+00 Vb(Abramov) -0.2601867E+00 Hb(Abramov) -0.6342082E-01 Ex_ueg -0.5348698E-01 Ec_ueg -0.7781366E-02 Delta_ex -0.5637626E-01 Delta_ec 0.1394196E-01 Delta_et -0.1840180E+00 Pxc 0.6873726E+01 Qxc -0.4043638E+01 3,-1 138 3 -1 -1.837512 0.337020 -3.366266 Rho 0.1422935E+00 |GRAD(Rho)| 0.4401776E-14 GRAD(Rho)x 0.2460732E-15 GRAD(Rho)y 0.4376219E-14 GRAD(Rho)z 0.4047040E-15 Laplacian 0.6025722E+00 (-1/4)Del**2(Rho)) -0.1506430E+00 Diamond 0.1151511E+01 Metallicity 0.4435195E+01 Ellipticity 0.1109296E-01 Gb(Abramov) 0.2117839E+00 Vb(Abramov) -0.2729247E+00 Hb(Abramov) -0.6114085E-01 Ex_ueg -0.5486540E-01 Ec_ueg -0.7952028E-02 Delta_ex -0.6393719E-01 Delta_ec 0.1559101E-01 Delta_et -0.2061996E+00 Pxc 0.6899548E+01 Qxc -0.4100901E+01 3,-1 139 3 +1 -0.909903 -0.564383 -0.131609 Rho 0.5828570E-02 |GRAD(Rho)| 0.6397213E-16 GRAD(Rho)x 0.6265333E-16 GRAD(Rho)y -0.3136775E-17 GRAD(Rho)z -0.1253609E-16 Laplacian 0.2208685E-01 (-1/4)Del**2(Rho)) -0.5521714E-02 Diamond 0.4273297E-03 Metallicity 0.5889557E+00 Ellipticity -0.1566282E+01 Gb(Abramov) 0.4223150E-02 Vb(Abramov) -0.2924586E-02 Hb(Abramov) 0.1298564E-02 Ex_ueg -0.7747015E-03 Ec_ueg -0.1827420E-03 Delta_ex -0.9758033E-03 Delta_ec 0.4175235E-03 Delta_et -0.2484325E-02 Pxc 0.4239319E+01 Qxc -0.2337122E+01 3,+1 140 3 -1 -0.145797 2.021799 1.481013 Rho 0.7060762E-02 |GRAD(Rho)| 0.2781128E-16 GRAD(Rho)x 0.2665529E-16 GRAD(Rho)y -0.5397691E-17 GRAD(Rho)z -0.5816178E-17 Laplacian 0.2840087E-01 (-1/4)Del**2(Rho)) -0.7100217E-02 Diamond 0.1242124E-02 Metallicity 0.6305229E+00 Ellipticity 0.1482770E+01 Gb(Abramov) 0.5479620E-02 Vb(Abramov) -0.3859022E-02 Hb(Abramov) 0.1620598E-02 Ex_ueg -0.1000431E-02 Ec_ueg -0.2366460E-03 Delta_ex -0.1622246E-02 Delta_ec 0.1091325E-02 Delta_et -0.6496288E-02 Pxc 0.4227543E+01 Qxc -0.1486493E+01 3,-1 141 3 -1 -0.761125 2.396173 -0.595794 Rho 0.9851216E-01 |GRAD(Rho)| 0.1382381E-13 GRAD(Rho)x -0.9823786E-14 GRAD(Rho)y 0.8519471E-14 GRAD(Rho)z 0.4691428E-14 Laplacian 0.3664340E+00 (-1/4)Del**2(Rho)) -0.9160849E-01 Diamond 0.4345840E+00 Metallicity 0.3951547E+01 Ellipticity 0.1214984E-01 Gb(Abramov) 0.1214049E+00 Vb(Abramov) -0.1512013E+00 Hb(Abramov) -0.2979638E-01 Ex_ueg -0.3360250E-01 Ec_ueg -0.5235013E-02 Delta_ex -0.3535900E-01 Delta_ec 0.9847055E-02 Delta_et -0.1214732E+00 Pxc 0.6418799E+01 Qxc -0.3590820E+01 3,-1 142 3 +1 -0.093497 2.225822 1.194706 Rho 0.6862432E-02 |GRAD(Rho)| 0.7069560E-17 GRAD(Rho)x -0.4274481E-17 GRAD(Rho)y -0.1197744E-17 GRAD(Rho)z 0.5502081E-17 Laplacian 0.2865013E-01 (-1/4)Del**2(Rho)) -0.7162532E-02 Diamond 0.8472770E-03 Metallicity 0.5960509E+00 Ellipticity -0.2020951E+01 Gb(Abramov) 0.5486560E-02 Vb(Abramov) -0.3810588E-02 Hb(Abramov) 0.1675972E-02 Ex_ueg -0.9631393E-03 Ec_ueg -0.2279207E-03 Delta_ex -0.1409377E-02 Delta_ec 0.7110930E-03 Delta_et -0.4319245E-02 Pxc 0.4225764E+01 Qxc -0.1981986E+01 3,+1 143 3 +1 -0.466025 -2.356847 -2.336826 Rho 0.6348180E-02 |GRAD(Rho)| 0.1539009E-15 GRAD(Rho)x 0.3666544E-16 GRAD(Rho)y 0.1409269E-15 GRAD(Rho)z -0.4980707E-16 Laplacian 0.2679954E-01 (-1/4)Del**2(Rho)) -0.6699885E-02 Diamond 0.7421200E-03 Metallicity 0.5596302E+00 Ellipticity -0.2032052E+01 Gb(Abramov) 0.5091500E-02 Vb(Abramov) -0.3483115E-02 Hb(Abramov) 0.1608385E-02 Ex_ueg -0.8681285E-03 Ec_ueg -0.2053840E-03 Delta_ex -0.1315663E-02 Delta_ec 0.6997264E-03 Delta_et -0.4138137E-02 Pxc 0.4226856E+01 Qxc -0.1880254E+01 3,+1 144 3 -1 -0.342575 -2.687655 1.629878 Rho 0.1366776E+00 |GRAD(Rho)| 0.4201927E-15 GRAD(Rho)x 0.1887189E-15 GRAD(Rho)y -0.2275063E-15 GRAD(Rho)z -0.2986435E-15 Laplacian 0.5792386E+00 (-1/4)Del**2(Rho)) -0.1448097E+00 Diamond 0.1059597E+01 Metallicity 0.4314378E+01 Ellipticity 0.1233842E-01 Gb(Abramov) 0.2006670E+00 Vb(Abramov) -0.2565244E+00 Hb(Abramov) -0.5585737E-01 Ex_ueg -0.5199741E-01 Ec_ueg -0.7596225E-02 Delta_ex -0.6091845E-01 Delta_ec 0.1523399E-01 Delta_et -0.2004412E+00 Pxc 0.6845164E+01 Qxc -0.3998851E+01 3,-1 145 3 +1 0.120466 -1.473921 0.456501 Rho 0.6256499E-02 |GRAD(Rho)| 0.1036570E-14 GRAD(Rho)x 0.7085820E-15 GRAD(Rho)y 0.5241575E-15 GRAD(Rho)z -0.5455705E-15 Laplacian 0.2631726E-01 (-1/4)Del**2(Rho)) -0.6579315E-02 Diamond 0.4737586E-03 Metallicity 0.5562348E+00 Ellipticity -0.1290395E+01 Gb(Abramov) 0.4996150E-02 Vb(Abramov) -0.3412986E-02 Hb(Abramov) 0.1583164E-02 Ex_ueg -0.8514521E-03 Ec_ueg -0.2013795E-03 Delta_ex -0.1122149E-02 Delta_ec 0.3910062E-03 Delta_et -0.2442430E-02 Pxc 0.4228098E+01 Qxc -0.2869902E+01 3,+1 146 3 -1 -0.194486 -1.883658 2.847126 Rho 0.1366418E+00 |GRAD(Rho)| 0.5906429E-15 GRAD(Rho)x -0.1610311E-15 GRAD(Rho)y 0.4284293E-15 GRAD(Rho)z 0.3733315E-15 Laplacian 0.5200862E+00 (-1/4)Del**2(Rho)) -0.1300215E+00 Diamond 0.9494144E+00 Metallicity 0.4802976E+01 Ellipticity 0.6015441E-01 Gb(Abramov) 0.1907628E+00 Vb(Abramov) -0.2515040E+00 Hb(Abramov) -0.6074122E-01 Ex_ueg -0.5197922E-01 Ec_ueg -0.7593960E-02 Delta_ex -0.5467503E-01 Delta_ec 0.1364540E-01 Delta_et -0.1794650E+00 Pxc 0.6844811E+01 Qxc -0.4006847E+01 3,-1 147 3 -1 -0.005016 1.978583 -1.852502 Rho 0.9335745E-01 |GRAD(Rho)| 0.2355446E-15 GRAD(Rho)x 0.1246536E-16 GRAD(Rho)y 0.4842318E-16 GRAD(Rho)z -0.2301761E-15 Laplacian 0.3505322E+00 (-1/4)Del**2(Rho)) -0.8763306E-01 Diamond 0.3884059E+00 Metallicity 0.3776883E+01 Ellipticity 0.1550912E-01 Gb(Abramov) 0.1135853E+00 Vb(Abramov) -0.1395376E+00 Hb(Abramov) -0.2595228E-01 Ex_ueg -0.3127882E-01 Ec_ueg -0.4924458E-02 Delta_ex -0.3337959E-01 Delta_ec 0.9492362E-02 Delta_et -0.1158164E+00 Pxc 0.6351728E+01 Qxc -0.3516468E+01 3,-1 148 3 -1 0.233535 2.727224 -3.750706 Rho 0.2281123E+00 |GRAD(Rho)| 0.2274833E-15 GRAD(Rho)x -0.9992278E-16 GRAD(Rho)y 0.1474515E-16 GRAD(Rho)z 0.2038300E-15 Laplacian 0.9099528E+00 (-1/4)Del**2(Rho)) -0.2274882E+00 Diamond 0.2978963E+01 Metallicity 0.6449242E+01 Ellipticity 0.4217704E-02 Gb(Abramov) 0.3961799E+00 Vb(Abramov) -0.5648716E+00 Hb(Abramov) -0.1686917E+00 Ex_ueg -0.1029398E+00 Ec_ueg -0.1362122E-01 Delta_ex -0.1082200E+00 Delta_ec 0.1991050E-01 Delta_et -0.2731864E+00 Pxc 0.7557310E+01 Qxc -0.5435323E+01 3,-1 149 3 -1 0.922138 2.685063 -2.448265 Rho 0.1369593E+00 |GRAD(Rho)| 0.4307845E-15 GRAD(Rho)x 0.4201419E-15 GRAD(Rho)y 0.7801512E-16 GRAD(Rho)z 0.5449471E-16 Laplacian 0.5194257E+00 (-1/4)Del**2(Rho)) -0.1298564E+00 Diamond 0.9519658E+00 Metallicity 0.4827724E+01 Ellipticity 0.5859023E-01 Gb(Abramov) 0.1910561E+00 Vb(Abramov) -0.2522558E+00 Hb(Abramov) -0.6119968E-01 Ex_ueg -0.5214034E-01 Ec_ueg -0.7614023E-02 Delta_ex -0.5464878E-01 Delta_ec 0.1364272E-01 Delta_et -0.1795395E+00 Pxc 0.6847935E+01 Qxc -0.4005709E+01 3,-1 150 3 +1 0.776594 2.392478 -1.457442 Rho 0.3990646E-01 |GRAD(Rho)| 0.2914107E-15 GRAD(Rho)x 0.1782427E-15 GRAD(Rho)y 0.1568859E-15 GRAD(Rho)z -0.1689277E-15 Laplacian 0.1451241E+00 (-1/4)Del**2(Rho)) -0.3628102E-01 Diamond 0.2809280E-01 Metallicity 0.2212818E+01 Ellipticity -0.3058370E+01 Gb(Abramov) 0.3756789E-01 Vb(Abramov) -0.3885477E-01 Hb(Abramov) -0.1286874E-02 Ex_ueg -0.1007185E-01 Ec_ueg -0.1865051E-02 Delta_ex -0.9774882E-02 Delta_ec 0.1623230E-02 Delta_et -0.1581532E-01 Pxc 0.5400309E+01 Qxc -0.6021872E+01 3,+1 151 3 +1 0.054936 2.808145 -0.304399 Rho 0.4020376E-01 |GRAD(Rho)| 0.3693958E-16 GRAD(Rho)x -0.2051538E-16 GRAD(Rho)y 0.3021712E-16 GRAD(Rho)z -0.5529680E-17 Laplacian 0.1441921E+00 (-1/4)Del**2(Rho)) -0.3604804E-01 Diamond 0.2752848E-01 Metallicity 0.2254841E+01 Ellipticity -0.2939817E+01 Gb(Abramov) 0.3757912E-01 Vb(Abramov) -0.3911021E-01 Hb(Abramov) -0.1531088E-02 Ex_ueg -0.1017202E-01 Ec_ueg -0.1880998E-02 Delta_ex -0.9694012E-02 Delta_ec 0.1543424E-02 Delta_et -0.1503375E-01 Pxc 0.5407779E+01 Qxc -0.6280847E+01 3,+1 152 3 +1 1.015347 -2.097434 -1.822296 Rho 0.3182033E-01 |GRAD(Rho)| 0.1293544E-14 GRAD(Rho)x -0.1081125E-14 GRAD(Rho)y -0.6301400E-15 GRAD(Rho)z 0.3276411E-15 Laplacian 0.1265436E+00 (-1/4)Del**2(Rho)) -0.3163591E-01 Diamond 0.2217725E-01 Metallicity 0.1739992E+01 Ellipticity -0.4058596E+01 Gb(Abramov) 0.3026498E-01 Vb(Abramov) -0.2889405E-01 Hb(Abramov) 0.1370929E-02 Ex_ueg -0.7447171E-02 Ec_ueg -0.1437879E-02 Delta_ex -0.8327457E-02 Delta_ec 0.2020996E-02 Delta_et -0.1890501E-01 Pxc 0.5179276E+01 Qxc -0.4120472E+01 3,+1 153 3 -1 1.220228 -1.850641 1.222268 Rho 0.6505290E-02 |GRAD(Rho)| 0.1467474E-14 GRAD(Rho)x -0.1209877E-14 GRAD(Rho)y 0.7793021E-15 GRAD(Rho)z 0.2869909E-15 Laplacian 0.2626116E-01 (-1/4)Del**2(Rho)) -0.6565290E-02 Diamond 0.1021662E-02 Metallicity 0.5948540E+00 Ellipticity 0.1779528E+01 Gb(Abramov) 0.5027758E-02 Vb(Abramov) -0.3490226E-02 Hb(Abramov) 0.1537532E-02 Ex_ueg -0.8968930E-03 Ec_ueg -0.2122558E-03 Delta_ex -0.1472509E-02 Delta_ec 0.1000904E-02 Delta_et -0.5813900E-02 Pxc 0.4225528E+01 Qxc -0.1471179E+01 3,-1 154 3 -1 1.297056 -2.216701 -2.897807 Rho 0.1345674E+00 |GRAD(Rho)| 0.6470794E-12 GRAD(Rho)x -0.8324607E-13 GRAD(Rho)y -0.6055901E-12 GRAD(Rho)z 0.2122321E-12 Laplacian 0.5268195E+00 (-1/4)Del**2(Rho)) -0.1317049E+00 Diamond 0.9428213E+00 Metallicity 0.4622225E+01 Ellipticity 0.4084941E-01 Gb(Abramov) 0.1892648E+00 Vb(Abramov) -0.2468248E+00 Hb(Abramov) -0.5755997E-01 Ex_ueg -0.5092975E-01 Ec_ueg -0.7463050E-02 Delta_ex -0.5516250E-01 Delta_ec 0.1384479E-01 Delta_et -0.1815927E+00 Pxc 0.6824254E+01 Qxc -0.3984351E+01 3,-1 155 3 +1 1.054251 -1.744605 1.456979 Rho 0.6392736E-02 |GRAD(Rho)| 0.2753272E-15 GRAD(Rho)x -0.1414642E-15 GRAD(Rho)y 0.8466306E-16 GRAD(Rho)z 0.2205111E-15 Laplacian 0.2660014E-01 (-1/4)Del**2(Rho)) -0.6650035E-02 Diamond 0.7532137E-03 Metallicity 0.5704364E+00 Ellipticity -0.2217468E+01 Gb(Abramov) 0.5065593E-02 Vb(Abramov) -0.3481152E-02 Hb(Abramov) 0.1584441E-02 Ex_ueg -0.8762623E-03 Ec_ueg -0.2073316E-03 Delta_ex -0.1314261E-02 Delta_ec 0.7060303E-03 Delta_et -0.4178547E-02 Pxc 0.4226380E+01 Qxc -0.1861480E+01 3,+1 156 3 -1 0.795014 -2.240967 -0.878667 Rho 0.6227551E-01 |GRAD(Rho)| 0.1856151E-14 GRAD(Rho)x 0.7949065E-16 GRAD(Rho)y -0.1844306E-14 GRAD(Rho)z 0.1936881E-15 Laplacian 0.2386128E+00 (-1/4)Del**2(Rho)) -0.5965320E-01 Diamond 0.1607518E+00 Metallicity 0.2825627E+01 Ellipticity 0.4598137E-01 Gb(Abramov) 0.6786175E-01 Vb(Abramov) -0.7607030E-01 Hb(Abramov) -0.8208549E-02 Ex_ueg -0.1823090E-01 Ec_ueg -0.3103882E-02 Delta_ex -0.2069303E-01 Delta_ec 0.6967050E-02 Delta_et -0.7765416E-01 Pxc 0.5873580E+01 Qxc -0.2970129E+01 3,-1 157 3 -1 2.204524 1.759122 -0.340964 Rho 0.1279295E+00 |GRAD(Rho)| 0.1298158E-14 GRAD(Rho)x -0.6592220E-15 GRAD(Rho)y -0.1088431E-14 GRAD(Rho)z -0.2568272E-15 Laplacian 0.5423511E+00 (-1/4)Del**2(Rho)) -0.1355878E+00 Diamond 0.9184370E+00 Metallicity 0.4126838E+01 Ellipticity 0.8832340E-02 Gb(Abramov) 0.1836500E+00 Vb(Abramov) -0.2317122E+00 Hb(Abramov) -0.4806220E-01 Ex_ueg -0.4760796E-01 Ec_ueg -0.7046041E-02 Delta_ex -0.5616313E-01 Delta_ec 0.1453718E-01 Delta_et -0.1893119E+00 Pxc 0.6756695E+01 Qxc -0.3863414E+01 3,-1 158 3 -1 2.763700 -1.887146 -0.309005 Rho 0.1339419E+00 |GRAD(Rho)| 0.1686447E-15 GRAD(Rho)x -0.1424811E-15 GRAD(Rho)y -0.9021917E-16 GRAD(Rho)z 0.8207749E-18 Laplacian 0.5243794E+00 (-1/4)Del**2(Rho)) -0.1310948E+00 Diamond 0.9331113E+00 Metallicity 0.4607812E+01 Ellipticity 0.4003329E-01 Gb(Abramov) 0.1880733E+00 Vb(Abramov) -0.2450517E+00 Hb(Abramov) -0.5697845E-01 Ex_ueg -0.5061433E-01 Ec_ueg -0.7423628E-02 Delta_ex -0.5484398E-01 Delta_ec 0.1379392E-01 Delta_et -0.1807872E+00 Pxc 0.6818004E+01 Qxc -0.3975954E+01 3,-1 159 3 +1 -3.055835 -0.190493 -1.945402 Rho 0.3998160E-01 |GRAD(Rho)| 0.2954883E-14 GRAD(Rho)x -0.2148956E-14 GRAD(Rho)y 0.9034379E-15 GRAD(Rho)z -0.1815798E-14 Laplacian 0.1437753E+00 (-1/4)Del**2(Rho)) -0.3594382E-01 Diamond 0.2741862E-01 Metallicity 0.2240591E+01 Ellipticity -0.2964333E+01 Gb(Abramov) 0.3738511E-01 Vb(Abramov) -0.3882640E-01 Hb(Abramov) -0.1441291E-02 Ex_ueg -0.1009714E-01 Ec_ueg -0.1869080E-02 Delta_ex -0.9661043E-02 Delta_ec 0.1557740E-02 Delta_et -0.1516643E-01 Pxc 0.5402201E+01 Qxc -0.6201960E+01 3,+1 160 3 -1 -3.329192 -3.471035 -0.958017 Rho 0.2277003E+00 |GRAD(Rho)| 0.1577660E-14 GRAD(Rho)x -0.1379214E-14 GRAD(Rho)y -0.7480995E-15 GRAD(Rho)z 0.1647081E-15 Laplacian 0.9067925E+00 (-1/4)Del**2(Rho)) -0.2266981E+00 Diamond 0.2963284E+01 Metallicity 0.6452253E+01 Ellipticity 0.5734644E-02 Gb(Abramov) 0.3949177E+00 Vb(Abramov) -0.5631373E+00 Hb(Abramov) -0.1682196E+00 Ex_ueg -0.1026920E+00 Ec_ueg -0.1359302E-01 Delta_ex -0.1077997E+00 Delta_ec 0.1986324E-01 Delta_et -0.2725678E+00 Pxc 0.7554761E+01 Qxc -0.5427096E+01 3,-1 161 3 -1 -2.911840 -2.494486 -1.976457 Rho 0.1380614E+00 |GRAD(Rho)| 0.2865888E-15 GRAD(Rho)x -0.9789499E-16 GRAD(Rho)y 0.2022715E-17 GRAD(Rho)z -0.2693429E-15 Laplacian 0.5253104E+00 (-1/4)Del**2(Rho)) -0.1313276E+00 Diamond 0.9709759E+00 Metallicity 0.4837836E+01 Ellipticity 0.6224223E-01 Gb(Abramov) 0.1934420E+00 Vb(Abramov) -0.2555563E+00 Hb(Abramov) -0.6211436E-01 Ex_ueg -0.5270052E-01 Ec_ueg -0.7683710E-02 Delta_ex -0.5536323E-01 Delta_ec 0.1374901E-01 Delta_et -0.1811214E+00 Pxc 0.6858733E+01 Qxc -0.4026706E+01 3,-1 162 3 +1 -1.100901 -2.227820 -2.360547 Rho 0.6395100E-02 |GRAD(Rho)| 0.2479862E-17 GRAD(Rho)x -0.1875331E-17 GRAD(Rho)y 0.3004849E-18 GRAD(Rho)z 0.1594540E-17 Laplacian 0.2660476E-01 (-1/4)Del**2(Rho)) -0.6651191E-02 Diamond 0.7539445E-03 Metallicity 0.5706888E+00 Ellipticity -0.2222146E+01 Gb(Abramov) 0.5066754E-02 Vb(Abramov) -0.3482317E-02 Hb(Abramov) 0.1584437E-02 Ex_ueg -0.8766944E-03 Ec_ueg -0.2074350E-03 Delta_ex -0.1314742E-02 Delta_ec 0.7064208E-03 Delta_et -0.4181187E-02 Pxc 0.4226357E+01 Qxc -0.1861132E+01 3,+1 163 3 +1 -3.263739 -1.112181 -0.911220 Rho 0.3996976E-01 |GRAD(Rho)| 0.1711190E-14 GRAD(Rho)x 0.4109703E-15 GRAD(Rho)y -0.1106354E-14 GRAD(Rho)z 0.1239055E-14 Laplacian 0.1430907E+00 (-1/4)Del**2(Rho)) -0.3577266E-01 Diamond 0.2713475E-01 Metallicity 0.2250200E+01 Ellipticity -0.2943818E+01 Gb(Abramov) 0.3726438E-01 Vb(Abramov) -0.3875610E-01 Hb(Abramov) -0.1491719E-02 Ex_ueg -0.1009316E-01 Ec_ueg -0.1868445E-02 Delta_ex -0.9605966E-02 Delta_ec 0.1535589E-02 Delta_et -0.1494544E-01 Pxc 0.5401903E+01 Qxc -0.6255556E+01 3,+1 164 3 -1 -1.665999 -1.605177 2.778739 Rho 0.1351672E+00 |GRAD(Rho)| 0.5460790E-15 GRAD(Rho)x -0.2874220E-15 GRAD(Rho)y 0.4563136E-15 GRAD(Rho)z 0.8584171E-16 Laplacian 0.5156801E+00 (-1/4)Del**2(Rho)) -0.1289200E+00 Diamond 0.9304079E+00 Metallicity 0.4757202E+01 Ellipticity 0.5510194E-01 Gb(Abramov) 0.1881631E+00 Vb(Abramov) -0.2474062E+00 Hb(Abramov) -0.5924309E-01 Ex_ueg -0.5123264E-01 Ec_ueg -0.7500872E-02 Delta_ex -0.5408372E-01 Delta_ec 0.1359025E-01 Delta_et -0.1784831E+00 Pxc 0.6830224E+01 Qxc -0.3979596E+01 3,-1 165 3 -1 -2.151656 1.571278 -2.074138 Rho 0.7005673E-02 |GRAD(Rho)| 0.9250158E-17 GRAD(Rho)x 0.1630611E-17 GRAD(Rho)y -0.8244840E-17 GRAD(Rho)z 0.3863825E-17 Laplacian 0.2818763E-01 (-1/4)Del**2(Rho)) -0.7046907E-02 Diamond 0.1218446E-02 Metallicity 0.6270532E+00 Ellipticity 0.1540683E+01 Gb(Abramov) 0.5434402E-02 Vb(Abramov) -0.3821897E-02 Hb(Abramov) 0.1612505E-02 Ex_ueg -0.9900373E-03 Ec_ueg -0.2342206E-03 Delta_ex -0.1606838E-02 Delta_ec 0.1081621E-02 Delta_et -0.6423674E-02 Pxc 0.4226944E+01 Qxc -0.1485583E+01 3,-1 166 3 -1 -4.161855 -0.652183 -0.635595 Rho 0.1415655E+00 |GRAD(Rho)| 0.4544373E-15 GRAD(Rho)x -0.7447114E-16 GRAD(Rho)y 0.4462034E-15 GRAD(Rho)z 0.4324103E-16 Laplacian 0.5410436E+00 (-1/4)Del**2(Rho)) -0.1352609E+00 Diamond 0.1031764E+01 Metallicity 0.4897528E+01 Ellipticity 0.6154545E-01 Gb(Abramov) 0.2005813E+00 Vb(Abramov) -0.2659016E+00 Hb(Abramov) -0.6532036E-01 Ex_ueg -0.5449147E-01 Ec_ueg -0.7905793E-02 Delta_ex -0.5738189E-01 Delta_ec 0.1409692E-01 Delta_et -0.1864653E+00 Pxc 0.6892600E+01 Qxc -0.4070527E+01 3,-1 167 3 -1 -1.862879 1.602851 1.949456 Rho 0.1365704E+00 |GRAD(Rho)| 0.3917243E-13 GRAD(Rho)x 0.2300450E-13 GRAD(Rho)y -0.4685109E-15 GRAD(Rho)z -0.3170257E-13 Laplacian 0.5770593E+00 (-1/4)Del**2(Rho)) -0.1442648E+00 Diamond 0.1054569E+01 Metallicity 0.4325009E+01 Ellipticity 0.8637716E-02 Gb(Abramov) 0.2001676E+00 Vb(Abramov) -0.2560705E+00 Hb(Abramov) -0.5590283E-01 Ex_ueg -0.5194301E-01 Ec_ueg -0.7589450E-02 Delta_ex -0.6067721E-01 Delta_ec 0.1517861E-01 Delta_et -0.1996861E+00 Pxc 0.6844108E+01 Qxc -0.3997546E+01 3,-1 168 3 -1 -0.548392 2.970429 -2.523288 Rho 0.1488615E+00 |GRAD(Rho)| 0.9883875E-14 GRAD(Rho)x 0.4032947E-14 GRAD(Rho)y -0.6923756E-14 GRAD(Rho)z -0.5786875E-14 Laplacian 0.5656412E+00 (-1/4)Del**2(Rho)) -0.1414103E+00 Diamond 0.1147794E+01 Metallicity 0.5093808E+01 Ellipticity 0.6525688E-01 Gb(Abramov) 0.2143264E+00 Vb(Abramov) -0.2872424E+00 Hb(Abramov) -0.7291606E-01 Ex_ueg -0.5826773E-01 Ec_ueg -0.8370671E-02 Delta_ex -0.6075133E-01 Delta_ec 0.1459374E-01 Delta_et -0.1945552E+00 Pxc 0.6960939E+01 Qxc -0.4162833E+01 3,-1 169 3 -1 0.508533 -3.233983 0.211753 Rho 0.1469074E+00 |GRAD(Rho)| 0.8562814E-16 GRAD(Rho)x -0.3901773E-16 GRAD(Rho)y 0.7618553E-16 GRAD(Rho)z 0.2358140E-17 Laplacian 0.6175090E+00 (-1/4)Del**2(Rho)) -0.1543772E+00 Diamond 0.1225858E+01 Metallicity 0.4564318E+01 Ellipticity 0.8684427E-02 Gb(Abramov) 0.2203560E+00 Vb(Abramov) -0.2863347E+00 Hb(Abramov) -0.6597871E-01 Ex_ueg -0.5725013E-01 Ec_ueg -0.8245836E-02 Delta_ex -0.6603169E-01 Delta_ec 0.1584743E-01 Delta_et -0.2105632E+00 Pxc 0.6942914E+01 Qxc -0.4166713E+01 3,-1 170 3 -1 1.227603 -0.230075 -3.261023 Rho 0.1543761E+00 |GRAD(Rho)| 0.1678920E-13 GRAD(Rho)x -0.1326821E-13 GRAD(Rho)y 0.7702254E-14 GRAD(Rho)z -0.6819624E-14 Laplacian 0.6483335E+00 (-1/4)Del**2(Rho)) -0.1620834E+00 Diamond 0.1363290E+01 Metallicity 0.4721878E+01 Ellipticity 0.1161965E-01 Gb(Abramov) 0.2356119E+00 Vb(Abramov) -0.3091404E+00 Hb(Abramov) -0.7352853E-01 Ex_ueg -0.6116342E-01 Ec_ueg -0.8724233E-02 Delta_ex -0.7015112E-01 Delta_ec 0.1638813E-01 Delta_et -0.2191517E+00 Pxc 0.7010751E+01 Qxc -0.4280606E+01 3,-1 171 3 -1 -2.549492 -2.604699 0.038748 Rho 0.1394610E+00 |GRAD(Rho)| 0.2155421E-15 GRAD(Rho)x -0.1062654E-15 GRAD(Rho)y 0.4547381E-16 GRAD(Rho)z -0.1819291E-15 Laplacian 0.5892082E+00 (-1/4)Del**2(Rho)) -0.1473020E+00 Diamond 0.1100578E+01 Metallicity 0.4386309E+01 Ellipticity 0.9139137E-02 Gb(Abramov) 0.2058867E+00 Vb(Abramov) -0.2644714E+00 Hb(Abramov) -0.5858469E-01 Ex_ueg -0.5341405E-01 Ec_ueg -0.7772320E-02 Delta_ex -0.6223014E-01 Delta_ec 0.1534891E-01 Delta_et -0.2024412E+00 Pxc 0.6872344E+01 Qxc -0.4054369E+01 3,-1 172 3 -1 -3.620216 0.366047 0.274542 Rho 0.1429893E+00 |GRAD(Rho)| 0.2870371E-12 GRAD(Rho)x -0.9593914E-13 GRAD(Rho)y -0.5620148E-14 GRAD(Rho)z -0.2704707E-12 Laplacian 0.6056436E+00 (-1/4)Del**2(Rho)) -0.1514109E+00 Diamond 0.1166769E+01 Metallicity 0.4448724E+01 Ellipticity 0.1085589E-01 Gb(Abramov) 0.2132048E+00 Vb(Abramov) -0.2749987E+00 Hb(Abramov) -0.6179390E-01 Ex_ueg -0.5522341E-01 Ec_ueg -0.7996251E-02 Delta_ex -0.6436704E-01 Delta_ec 0.1570087E-01 Delta_et -0.2079085E+00 Pxc 0.6906162E+01 Qxc -0.4099583E+01 3,-1 173 3 -1 -3.925288 0.317507 -1.753398 Rho 0.1337314E+00 |GRAD(Rho)| 0.4863681E-15 GRAD(Rho)x 0.7779606E-16 GRAD(Rho)y -0.2058078E-16 GRAD(Rho)z -0.4796646E-15 Laplacian 0.5110170E+00 (-1/4)Del**2(Rho)) -0.1277542E+00 Diamond 0.9095575E+00 Metallicity 0.4715924E+01 Ellipticity 0.5277676E-01 Gb(Abramov) 0.1855827E+00 Vb(Abramov) -0.2434112E+00 Hb(Abramov) -0.5782847E-01 Ex_ueg -0.5050832E-01 Ec_ueg -0.7410371E-02 Delta_ex -0.5344866E-01 Delta_ec 0.1348771E-01 Delta_et -0.1768071E+00 Pxc 0.6815896E+01 Qxc -0.3962768E+01 3,-1 174 3 -1 -1.296851 0.190186 1.983145 Rho 0.9327704E-01 |GRAD(Rho)| 0.1083721E-15 GRAD(Rho)x -0.1003429E-15 GRAD(Rho)y 0.1122827E-16 GRAD(Rho)z -0.3936670E-16 Laplacian 0.3495694E+00 (-1/4)Del**2(Rho)) -0.8739236E-01 Diamond 0.3863515E+00 Metallicity 0.3781850E+01 Ellipticity 0.1381265E-01 Gb(Abramov) 0.1133457E+00 Vb(Abramov) -0.1392990E+00 Hb(Abramov) -0.2595334E-01 Ex_ueg -0.3124290E-01 Ec_ueg -0.4919631E-02 Delta_ex -0.3327025E-01 Delta_ec 0.9448496E-02 Delta_et -0.1152391E+00 Pxc 0.6350660E+01 Qxc -0.3521222E+01 3,-1 175 3 -1 -1.382105 -0.967085 -3.472268 Rho 0.1334677E+00 |GRAD(Rho)| 0.1075665E-15 GRAD(Rho)x 0.8208766E-16 GRAD(Rho)y 0.1652053E-16 GRAD(Rho)z 0.6752208E-16 Laplacian 0.5651784E+00 (-1/4)Del**2(Rho)) -0.1412946E+00 Diamond 0.1005739E+01 Metallicity 0.4249991E+01 Ellipticity 0.1032776E-01 Gb(Abramov) 0.1942799E+00 Vb(Abramov) -0.2472651E+00 Hb(Abramov) -0.5298526E-01 Ex_ueg -0.5037558E-01 Ec_ueg -0.7393765E-02 Delta_ex -0.5911056E-01 Delta_ec 0.1496923E-01 Delta_et -0.1962520E+00 Pxc 0.6813251E+01 Qxc -0.3948805E+01 3,-1 176 3 -1 -0.169428 -3.387409 -0.992267 Rho 0.1454440E+00 |GRAD(Rho)| 0.8419795E-15 GRAD(Rho)x 0.8066735E-15 GRAD(Rho)y 0.3398381E-16 GRAD(Rho)z 0.2388565E-15 Laplacian 0.6111884E+00 (-1/4)Del**2(Rho)) -0.1527971E+00 Diamond 0.1199793E+01 Metallicity 0.4535216E+01 Ellipticity 0.7855025E-02 Gb(Abramov) 0.2173594E+00 Vb(Abramov) -0.2819216E+00 Hb(Abramov) -0.6456226E-01 Ex_ueg -0.5649105E-01 Ec_ueg -0.8152507E-02 Delta_ex -0.6520616E-01 Delta_ec 0.1574212E-01 Delta_et -0.2089006E+00 Pxc 0.6929285E+01 Qxc -0.4142146E+01 3,-1 177 3 -1 1.717235 -0.278600 2.007434 Rho 0.1353725E+00 |GRAD(Rho)| 0.1198884E-15 GRAD(Rho)x 0.6689527E-16 GRAD(Rho)y -0.3510105E-16 GRAD(Rho)z -0.9309231E-16 Laplacian 0.5732073E+00 (-1/4)Del**2(Rho)) -0.1433018E+00 Diamond 0.1036583E+01 Metallicity 0.4290607E+01 Ellipticity 0.1120788E-01 Gb(Abramov) 0.1980098E+00 Vb(Abramov) -0.2527179E+00 Hb(Abramov) -0.5470803E-01 Ex_ueg -0.5133642E-01 Ec_ueg -0.7513823E-02 Delta_ex -0.6014480E-01 Delta_ec 0.1511093E-01 Delta_et -0.1985220E+00 Pxc 0.6832263E+01 Qxc -0.3980219E+01 3,-1 178 3 -1 0.915930 3.299561 0.084663 Rho 0.1493231E+00 |GRAD(Rho)| 0.2066617E-15 GRAD(Rho)x -0.1273124E-15 GRAD(Rho)y 0.1520458E-15 GRAD(Rho)z 0.5816067E-16 Laplacian 0.5675779E+00 (-1/4)Del**2(Rho)) -0.1418945E+00 Diamond 0.1155562E+01 Metallicity 0.5102694E+01 Ellipticity 0.6625011E-01 Gb(Abramov) 0.2152703E+00 Vb(Abramov) -0.2886462E+00 Hb(Abramov) -0.7337586E-01 Ex_ueg -0.5850880E-01 Ec_ueg -0.8400199E-02 Delta_ex -0.6100102E-01 Delta_ec 0.1462442E-01 Delta_et -0.1950325E+00 Pxc 0.6965168E+01 Qxc -0.4171176E+01 3,-1 179 3 -1 -2.983351 -0.192641 -0.996227 Rho 0.9307024E-01 |GRAD(Rho)| 0.6628536E-13 GRAD(Rho)x 0.3699582E-14 GRAD(Rho)y 0.6490569E-13 GRAD(Rho)z 0.1293498E-13 Laplacian 0.3485440E+00 (-1/4)Del**2(Rho)) -0.8713601E-01 Diamond 0.3840938E+00 Metallicity 0.3778971E+01 Ellipticity 0.1364765E-01 Gb(Abramov) 0.1129714E+00 Vb(Abramov) -0.1388068E+00 Hb(Abramov) -0.2583541E-01 Ex_ueg -0.3115058E-01 Ec_ueg -0.4907220E-02 Delta_ex -0.3315373E-01 Delta_ec 0.9422259E-02 Delta_et -0.1148646E+00 Pxc 0.6347909E+01 Qxc -0.3518661E+01 3,-1 180 3 -1 2.817648 0.128147 -0.447573 Rho 0.1550740E+00 |GRAD(Rho)| 0.6770028E-09 GRAD(Rho)x -0.1094934E-09 GRAD(Rho)y 0.6647641E-09 GRAD(Rho)z -0.6657890E-10 Laplacian 0.6512569E+00 (-1/4)Del**2(Rho)) -0.1628142E+00 Diamond 0.1376386E+01 Metallicity 0.4736153E+01 Ellipticity 0.1209644E-01 Gb(Abramov) 0.2370617E+00 Vb(Abramov) -0.3113091E+00 Hb(Abramov) -0.7424744E-01 Ex_ueg -0.6153237E-01 Ec_ueg -0.8769109E-02 Delta_ex -0.7054121E-01 Delta_ec 0.1643511E-01 Delta_et -0.2198934E+00 Pxc 0.7016947E+01 Qxc -0.4292104E+01 3,-1 181 3 -1 -1.697573 -2.411094 1.556014 Rho 0.1408248E+00 |GRAD(Rho)| 0.2813478E-13 GRAD(Rho)x 0.1763569E-13 GRAD(Rho)y 0.4110732E-14 GRAD(Rho)z 0.2153254E-13 Laplacian 0.5949426E+00 (-1/4)Del**2(Rho)) -0.1487356E+00 Diamond 0.1123697E+01 Metallicity 0.4415063E+01 Ellipticity 0.9558011E-02 Gb(Abramov) 0.2086033E+00 Vb(Abramov) -0.2684710E+00 Hb(Abramov) -0.5986766E-01 Ex_ueg -0.5411165E-01 Ec_ueg -0.7858784E-02 Delta_ex -0.6297750E-01 Delta_ec 0.1544897E-01 Delta_et -0.2040367E+00 Pxc 0.6885499E+01 Qxc -0.4076486E+01 3,-1 182 3 -1 1.517160 2.159533 0.786318 Rho 0.1392845E+00 |GRAD(Rho)| 0.4851979E-15 GRAD(Rho)x 0.1092029E-15 GRAD(Rho)y 0.3986476E-15 GRAD(Rho)z -0.2541099E-15 Laplacian 0.5866089E+00 (-1/4)Del**2(Rho)) -0.1466522E+00 Diamond 0.1094470E+01 Metallicity 0.4396452E+01 Ellipticity 0.9450419E-02 Gb(Abramov) 0.2052264E+00 Vb(Abramov) -0.2638006E+00 Hb(Abramov) -0.5857417E-01 Ex_ueg -0.5332391E-01 Ec_ueg -0.7761135E-02 Delta_ex -0.6194109E-01 Delta_ec 0.1529400E-01 Delta_et -0.2016945E+00 Pxc 0.6870633E+01 Qxc -0.4050025E+01 3,-1 183 3 -1 -3.188755 -0.109825 -2.989329 Rho 0.1404350E+00 |GRAD(Rho)| 0.1343680E-13 GRAD(Rho)x -0.9554667E-15 GRAD(Rho)y 0.1339690E-13 GRAD(Rho)z -0.3970823E-15 Laplacian 0.5355552E+00 (-1/4)Del**2(Rho)) -0.1338888E+00 Diamond 0.1011971E+01 Metallicity 0.4882037E+01 Ellipticity 0.6150761E-01 Gb(Abramov) 0.1982009E+00 Vb(Abramov) -0.2625129E+00 Hb(Abramov) -0.6431207E-01 Ex_ueg -0.5391199E-01 Ec_ueg -0.7834054E-02 Delta_ex -0.5669422E-01 Delta_ec 0.1399010E-01 Delta_et -0.1848452E+00 Pxc 0.6881749E+01 Qxc -0.4052452E+01 3,-1 184 3 +1 -0.034826 -0.948957 2.419629 Rho 0.4048177E-01 |GRAD(Rho)| 0.1579672E-16 GRAD(Rho)x -0.1404211E-16 GRAD(Rho)y 0.4427989E-17 GRAD(Rho)z 0.5722621E-17 Laplacian 0.1477547E+00 (-1/4)Del**2(Rho)) -0.3693868E-01 Diamond 0.2910743E-01 Metallicity 0.2225893E+01 Ellipticity -0.3064719E+01 Gb(Abramov) 0.3832937E-01 Vb(Abramov) -0.3972007E-01 Hb(Abramov) -0.1390697E-02 Ex_ueg -0.1026591E-01 Ec_ueg -0.1895925E-02 Delta_ex -0.9989091E-02 Delta_ec 0.1645423E-02 Delta_et -0.1606584E-01 Pxc 0.5414727E+01 Qxc -0.6070836E+01 3,+1 185 3 -1 0.326318 -1.282986 -3.424285 Rho 0.1503910E+00 |GRAD(Rho)| 0.5673812E-09 GRAD(Rho)x 0.5594109E-09 GRAD(Rho)y 0.2442209E-10 GRAD(Rho)z 0.9156692E-10 Laplacian 0.6312634E+00 (-1/4)Del**2(Rho)) -0.1578158E+00 Diamond 0.1288134E+01 Metallicity 0.4642719E+01 Ellipticity 0.9768231E-02 Gb(Abramov) 0.2273263E+00 Vb(Abramov) -0.2968368E+00 Hb(Abramov) -0.6951048E-01 Ex_ueg -0.5906736E-01 Ec_ueg -0.8468549E-02 Delta_ex -0.6788351E-01 Delta_ec 0.1609261E-01 Delta_et -0.2145019E+00 Pxc 0.6974909E+01 Qxc -0.4218303E+01 3,-1 186 3 -1 1.043714 -1.173803 -2.108838 Rho 0.6306805E-01 |GRAD(Rho)| 0.2366331E-11 GRAD(Rho)x 0.5671394E-12 GRAD(Rho)y -0.1256045E-12 GRAD(Rho)z -0.2293926E-11 Laplacian 0.2412661E+00 (-1/4)Del**2(Rho)) -0.6031652E-01 Diamond 0.1654727E+00 Metallicity 0.2854079E+01 Ellipticity 0.4711317E-01 Gb(Abramov) 0.6890236E-01 Vb(Abramov) -0.7748820E-01 Hb(Abramov) -0.8585841E-02 Ex_ueg -0.1854091E-01 Ec_ueg -0.3149035E-02 Delta_ex -0.2099479E-01 Delta_ec 0.7050251E-02 Delta_et -0.7883310E-01 Pxc 0.5887805E+01 Qxc -0.2977879E+01 3,-1 187 3 -1 1.684286 0.349685 3.399220 Rho 0.2278330E+00 |GRAD(Rho)| 0.1219656E-13 GRAD(Rho)x 0.1170830E-13 GRAD(Rho)y -0.3345211E-14 GRAD(Rho)z 0.6938894E-15 Laplacian 0.9075392E+00 (-1/4)Del**2(Rho)) -0.2268848E+00 Diamond 0.2967885E+01 Metallicity 0.6453204E+01 Ellipticity 0.5593639E-02 Gb(Abramov) 0.3952788E+00 Vb(Abramov) -0.5636729E+00 Hb(Abramov) -0.1683940E+00 Ex_ueg -0.1027718E+00 Ec_ueg -0.1360210E-01 Delta_ex -0.1079053E+00 Delta_ec 0.1987705E-01 Delta_et -0.2727669E+00 Pxc 0.7555582E+01 Qxc -0.5428638E+01 3,-1 188 3 -1 0.239132 -0.697974 -0.762590 Rho 0.3183642E+00 |GRAD(Rho)| 0.8756987E-12 GRAD(Rho)x 0.1664314E-12 GRAD(Rho)y 0.1121583E-12 GRAD(Rho)z -0.8523903E-12 Laplacian -0.1687632E+01 (-1/4)Del**2(Rho)) 0.4219081E+00 Diamond 0.5905494E+01 Metallicity -0.6060974E+01 Ellipticity 0.2530994E-04 Gb(Abramov) 0.1449236E+00 Vb(Abramov) -0.7117554E+00 Hb(Abramov) -0.5668317E+00 Ex_ueg -0.1605526E+00 Ec_ueg -0.2002478E-01 Delta_ex 0.1675619E+00 Delta_ec 0.5916489E-01 Delta_et -0.1400462E+01 Pxc 0.8017697E+01 Qxc 0.2832117E+01 3,-1 189 3 -1 1.655333 2.849341 -1.140816 Rho 0.1353537E+00 |GRAD(Rho)| 0.1216266E-15 GRAD(Rho)x 0.2936028E-16 GRAD(Rho)y 0.1056623E-15 GRAD(Rho)z -0.5259736E-16 Laplacian 0.5135509E+00 (-1/4)Del**2(Rho)) -0.1283877E+00 Diamond 0.9277546E+00 Metallicity 0.4787916E+01 Ellipticity 0.5704867E-01 Gb(Abramov) 0.1880434E+00 Vb(Abramov) -0.2476991E+00 Hb(Abramov) -0.5965570E-01 Ex_ueg -0.5132692E-01 Ec_ueg -0.7512638E-02 Delta_ex -0.5387440E-01 Delta_ec 0.1352257E-01 Delta_et -0.1776192E+00 Pxc 0.6832077E+01 Qxc -0.3984037E+01 3,-1 190 3 -1 1.681586 -1.409059 -4.120102 Rho 0.2348070E+00 |GRAD(Rho)| 0.1194217E-12 GRAD(Rho)x -0.4399790E-13 GRAD(Rho)y 0.2143614E-13 GRAD(Rho)z 0.1089322E-12 Laplacian 0.8942474E+00 (-1/4)Del**2(Rho)) -0.2235619E+00 Diamond 0.3049193E+01 Metallicity 0.6886635E+01 Ellipticity 0.1553047E-02 Gb(Abramov) 0.4056394E+00 Vb(Abramov) -0.5877169E+00 Hb(Abramov) -0.1820775E+00 Ex_ueg -0.1069875E+00 Ec_ueg -0.1408087E-01 Delta_ex -0.1072568E+00 Delta_ec 0.1957603E-01 Delta_et -0.2696266E+00 Pxc 0.7598073E+01 Qxc -0.5478987E+01 3,-1 191 3 -1 -2.643352 -0.613580 -4.257678 Rho 0.2277669E+00 |GRAD(Rho)| 0.1174707E-13 GRAD(Rho)x 0.6543106E-14 GRAD(Rho)y -0.4744082E-14 GRAD(Rho)z -0.8524973E-14 Laplacian 0.9073865E+00 (-1/4)Del**2(Rho)) -0.2268466E+00 Diamond 0.2966319E+01 Metallicity 0.6451173E+01 Ellipticity 0.5733116E-02 Gb(Abramov) 0.3951356E+00 Vb(Abramov) -0.5634245E+00 Hb(Abramov) -0.1682889E+00 Ex_ueg -0.1027321E+00 Ec_ueg -0.1359758E-01 Delta_ex -0.1078789E+00 Delta_ec 0.1987506E-01 Delta_et -0.2727352E+00 Pxc 0.7555173E+01 Qxc -0.5427849E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 141 68 70 71 74 73 94 177 95 92 81 187 156 169 176 134 128 127 135 138 175 183 113 191 132 157 182 189 178 133 186 170 185 100 154 190 111 171 116 56 161 160 174 61 167 137 64 65 62 181 144 164 146 118 179 172 59 166 173 54 147 121 136 149 168 148 104 180 105 103 158 107 78 123 77 122 63 188 126 112 131 153 165 82 140 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 13 13 14 14 15 16 17 18 21 22 25 26 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 14 16 53 16 53 53 53 19 20 23 24 27 28 2.114336 1.913258 1.918370 2.003966 2.006061 1.763268 2.126299 1.953098 1.937188 1.975413 1.964418 1.762046 2.296096 1.921625 1.925566 1.946415 1.948247 1.750287 2.125885 1.933901 1.958677 1.957621 1.979859 1.762151 2.134959 1.975375 1.942714 1.972915 1.933537 1.761555 2.291001 1.902365 1.912602 1.961570 1.969689 1.751121 2.124594 1.942308 1.944185 1.977998 1.965250 1.762291 2.136351 1.939406 1.950072 1.959954 1.970104 1.761205 2.124914 1.938444 1.949221 1.972830 1.969340 1.762212 2.137352 1.931820 1.955711 1.954306 1.977230 1.761232 2.136296 1.973330 1.946677 1.968240 1.934803 1.761442 2.289922 1.900572 1.917962 1.956225 1.971560 1.751104 3.148214 3.146403 2.283543 3.147524 2.276017 0.992533 2.277006 3.131252 3.162421 3.165020 3.128786 3.164815 3.124316 2.114581 1.913533 1.918634 2.004310 2.006420 1.763377 2.126491 1.953404 1.937506 1.975764 1.964755 1.762129 2.297176 1.921954 1.925890 1.946929 1.948765 1.750300 2.126076 1.934229 1.958980 1.957932 1.980199 1.762235 2.135173 1.975674 1.943002 1.973267 1.933859 1.761624 2.292008 1.902692 1.912968 1.962085 1.970210 1.751135 2.124821 1.942585 1.944488 1.978323 1.965602 1.762377 2.136539 1.939720 1.950350 1.960306 1.970443 1.761275 2.125141 1.938726 1.949544 1.973168 1.969691 1.762292 2.137539 1.932144 1.955983 1.954626 1.977591 1.761306 2.136467 1.973644 1.946994 1.968611 1.935096 1.761502 2.290945 1.900939 1.918329 1.956740 1.972057 1.751120 3.148726 3.146913 2.367736 3.148201 2.358094 0.992534 2.359194 3.134319 3.166341 3.169238 3.132039 3.169056 3.127499 25 23 23 23 28 23 25 23 25 27 28 24 28 23 23 25 27 23 25 27 23 23 23 22 28 23 23 23 25 26 27 23 25 25 28 21 29 23 23 23 27 22 25 26 23 26 23 23 27 23 25 27 25 22 25 25 23 23 24 22 25 28 24 25 23 22 27 25 26 25 23 24 33 33 31 33 29 16 31 33 33 33 33 33 33 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 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.5089 2.4925 2.5109 2.4920 2.4879 2.5135 2.4919 2.5018 2.4923 2.5020 2.4873 2.5136 -1.1013 -1.1015 -0.9901 -1.1013 -0.9661 -0.9621 -0.9635 -0.9624 -0.9644 -0.9645 -0.9647 -0.9658 -0.9644 -0.9662 -0.9640 -0.9643 -0.9707 -0.9716 -0.9797 -0.9719 -0.9714 -0.9783 -0.9718 -0.9721 -0.9717 -0.9720 -0.9711 -0.9784 -0.8309 -0.8275 -0.8173 -0.8276 -0.8268 -0.8197 -0.8279 -0.8260 -0.8279 -0.8263 -0.8267 -0.8195 0.4568 2.0919 2.0947 2.0841 2.0949 2.0954 2.0839 2.0946 2.0920 2.0946 2.0919 2.0953 2.0838 1.9460 1.9459 1.8471 1.9459 1.9338 1.9340 1.9335 1.9339 1.9335 1.9331 1.9334 1.9343 1.9333 1.9343 1.9336 1.9332 1.9416 1.9423 1.9416 1.9424 1.9425 1.9415 1.9422 1.9418 1.9422 1.9417 1.9425 1.9414 1.9573 1.9574 1.9599 1.9573 1.9573 1.9598 1.9573 1.9575 1.9573 1.9574 1.9573 1.9597 0.4313 6.0863 6.0942 6.0802 6.0942 6.0951 6.0793 6.0941 6.0891 6.0941 6.0889 6.0953 6.0793 5.1225 5.1227 5.1110 5.1226 5.0028 4.9982 5.0009 4.9987 5.0010 5.0023 5.0015 5.0016 5.0012 5.0020 5.0004 5.0020 4.9965 4.9961 5.0064 4.9962 4.9957 5.0051 4.9966 4.9978 4.9964 4.9978 4.9954 5.0053 4.8421 4.8384 4.8238 4.8386 4.8377 4.8265 4.8388 4.8367 4.8388 4.8370 4.8376 4.8264 0.1118 3.2818 3.2876 3.2945 3.2878 3.2906 3.2929 3.2883 3.2860 3.2880 3.2861 3.2911 3.2929 0.0329 0.0328 0.0320 0.0328 0.0295 0.0298 0.0291 0.0298 0.0299 0.0291 0.0298 0.0300 0.0298 0.0299 0.0299 0.0291 0.0326 0.0333 0.0318 0.0333 0.0332 0.0317 0.0331 0.0325 0.0331 0.0325 0.0332 0.0317 0.0315 0.0317 0.0336 0.0317 0.0318 0.0334 0.0317 0.0319 0.0317 0.0319 0.0318 0.0334 0.0000 14.0311 14.0310 14.0303 14.0310 14.0310 14.0304 14.0311 14.0311 14.0311 14.0311 14.0310 14.0304 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 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.519149 2.519641 2.523201 2.519670 2.518892 2.522603 2.519328 2.520639 2.519373 2.520361 2.518946 2.522616 -1.018137 -1.018422 -0.726039 -1.018293 -0.955438 -0.955678 -0.958553 -0.956094 -0.957502 -0.958460 -0.957215 -0.954957 -0.957000 -0.955123 -0.957279 -0.958350 -0.971711 -0.969394 -0.963466 -0.969413 -0.970161 -0.962872 -0.970140 -0.973194 -0.970060 -0.973399 -0.970162 -0.963112 -0.876529 -0.873130 -0.858269 -0.873319 -0.872447 -0.860978 -0.873689 -0.871197 -0.873589 -0.871496 -0.872278 -0.860745 0.082875 1.912485 1.913754 1.939627 1.914451 1.915900 1.939312 1.913167 1.912527 1.913112 1.912925 1.916124 1.939343 -0.556807 -0.553068 -0.806169 -0.553113 -0.715915 -0.718408 -0.716178 -0.718466 -0.716897 -0.717123 -0.716210 -0.719658 -0.714807 -0.718925 -0.717709 -0.716106 -0.820737 -0.821909 -0.794807 -0.822440 -0.825756 -0.796757 -0.822629 -0.824454 -0.821848 -0.825129 -0.826459 -0.796539 -0.800867 -0.796397 -0.767968 -0.796228 -0.793502 -0.770771 -0.796993 -0.795177 -0.797036 -0.794973 -0.793111 -0.770488 0.305813 2.002052 2.006054 2.044398 2.008557 2.011469 2.044201 2.010339 2.008015 2.004592 2.008807 2.007959 2.046240 -0.602763 -0.603261 -0.817812 -0.592106 -0.799715 -0.793916 -0.798666 -0.794970 -0.790575 -0.800516 -0.791181 -0.797331 -0.793673 -0.797129 -0.795632 -0.798509 -0.854855 -0.853768 -0.833087 -0.855004 -0.855343 -0.835287 -0.857129 -0.856562 -0.853864 -0.860327 -0.856198 -0.834901 -0.761209 -0.757926 -0.731296 -0.756045 -0.756339 -0.733818 -0.757496 -0.755963 -0.757843 -0.755595 -0.754748 -0.734533 0.184202 18.50842636 2.41378680 13.41192437 22.98407988 -1.32976148 -9.93046455 -13.21058904 5.65868898 2.85251666 -4.32892750 -398.5954 425.3593 -29.4791 -414.6137 -57.9427 -475.2716 Jun24-2023 09:13:31 Nodes: 1 Procs: 1 Jun24-2023 09:13:31 Nodes: 1 Procs: 1 0 Jun24-2023 09:13:32 Nodes: 1 Procs: 1 Jun24-2023 09:13:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun24-2023 09:13:32 Nodes: 1 Procs: 1 Jun24-2023 09:13:33 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun24-2023 09:13:35 Nodes: 1 Procs: 28 *** (NO TITLE) *** -7 -17.46590671 -17.46591036 GEOMETRY CONVERGED