ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May01-2024 18:12:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 0.41 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 May01-2024 18:12:43 Nodes: 1 Procs: 1 May01-2024 18:12:43 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May01-2024 18:12:44 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.03 0.82 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 May01-2024 18:12:43 Nodes: 1 Procs: 1 May01-2024 18:12:43 Nodes: 1 Procs: 1 0 May01-2024 18:12:44 Nodes: 1 Procs: 1 May01-2024 18:12:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May01-2024 18:12:45 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.57 0.06 0.66 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 May01-2024 18:12:43 Nodes: 1 Procs: 1 May01-2024 18:12:43 Nodes: 1 Procs: 1 0 May01-2024 18:12:44 Nodes: 1 Procs: 1 May01-2024 18:12:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May01-2024 18:12:45 Nodes: 1 Procs: 1 May01-2024 18:12:46 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May01-2024 18:12:46 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.03 0.52 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 May01-2024 18:12:43 Nodes: 1 Procs: 1 May01-2024 18:12:43 Nodes: 1 Procs: 1 0 May01-2024 18:12:44 Nodes: 1 Procs: 1 May01-2024 18:12:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May01-2024 18:12:45 Nodes: 1 Procs: 1 May01-2024 18:12:46 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May01-2024 18:12:46 Nodes: 1 Procs: 1 May01-2024 18:12:47 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May01-2024 18:12:47 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) 1.34 0.03 1.42 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 May01-2024 18:12:43 Nodes: 1 Procs: 1 May01-2024 18:12:43 Nodes: 1 Procs: 1 0 May01-2024 18:12:44 Nodes: 1 Procs: 1 May01-2024 18:12:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May01-2024 18:12:45 Nodes: 1 Procs: 1 May01-2024 18:12:46 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May01-2024 18:12:46 Nodes: 1 Procs: 1 May01-2024 18:12:47 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May01-2024 18:12:47 Nodes: 1 Procs: 1 May01-2024 18:12:48 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May01-2024 18:12:50 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2325.590361000001 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244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.598 -6.584 -6.526 -6.517 -6.505 -6.445 -6.432 -6.222 -6.183 -6.168 -3.883 -3.726 -3.442 -3.356 -3.107 -3.052 -2.993 -2.843 -2.788 -2.773 A A A A A A A A A A A A A A A A A A A A 0.00000000072612 0.00043195171136 0.00028531151208 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 74 74 74 74 74 74 74 15 42 42 42 42 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 0.081228 -2.568523 2.545740 -0.110525 2.542639 2.530890 2.443140 -2.570682 -0.022491 2.551594 2.511117 -0.089224 -2.595800 2.481832 0.102848 -2.466543 -0.255990 -2.659378 2.533316 -0.145469 2.542470 -0.074477 -0.015487 -0.030117 0.048245 2.538538 -2.496724 -2.618008 -2.538503 -0.090582 -2.547906 0.088088 2.605734 2.575288 0.098689 -2.611471 0.827424 -0.934616 0.869582 -1.008577 -0.869225 -0.912303 0.863466 0.882868 -0.900091 -0.912610 0.915730 0.920796 -3.048133 -1.136682 1.202362 3.053908 -1.159006 -1.147058 -2.997929 1.177508 -1.107588 3.021857 1.162106 1.191329 1.340802 -1.265323 -3.110538 1.147642 1.161590 2.993323 -1.160500 1.165123 -3.011772 -1.186885 -1.154143 3.082740 -1.159888 3.067783 -1.137853 -1.244947 -2.999579 1.268542 1.164628 3.025338 1.146656 1.144206 -3.054235 -1.185301 3.319974 -1.503814 1.520100 -3.423988 -1.549862 -1.511213 3.406899 1.474945 -1.460125 -3.409250 1.525602 1.571273 1.437715 -1.477173 3.422158 1.523328 1.465680 -3.391237 -1.496584 1.522609 3.426415 -1.714050 -1.460019 -3.684904 -1.525126 -3.597276 -1.264307 -1.489116 3.388433 1.507725 1.459682 -3.387939 1.520937 1.530894 3.352908 -1.511627 -0.201061 -3.762545 3.772787 3.840404 -0.114093 -3.768076 -0.200601 3.727577 -3.722903 0.215669 3.750558 3.735117 3.684798 -3.776110 -0.234181 3.755827 3.724603 0.206198 -3.790622 3.714626 -0.185358 -3.876572 -3.667829 0.245576 -3.813171 0.280759 -3.640285 -3.750680 -0.193807 3.809762 3.729700 0.155852 3.762980 1.096937 -1.952442 -2.405947 -0.548123 -3.347823 -1.250888 1 3 -3 0.081228 -2.568523 2.545740 Rho 0.4361414E+07 3,-3 2 3 -3 -0.110525 2.542639 2.530890 Rho 0.4361414E+07 3,-3 3 3 -3 2.443140 -2.570682 -0.022491 Rho 0.4361415E+07 3,-3 4 3 -3 2.551594 2.511117 -0.089224 Rho 0.4361414E+07 3,-3 5 3 -3 -2.595800 2.481832 0.102848 Rho 0.4361414E+07 3,-3 6 3 -3 -2.466543 -0.255990 -2.659378 Rho 0.4361414E+07 3,-3 7 3 -3 2.533316 -0.145469 2.542470 Rho 0.4361415E+07 3,-3 8 3 -3 -0.074477 -0.015487 -0.030117 Rho 0.2439528E+04 3,-3 9 3 -3 0.048245 2.538538 -2.496724 Rho 0.1240649E+06 3,-3 10 3 -3 -2.618008 -2.538503 -0.090582 Rho 0.1240650E+06 3,-3 11 3 -3 -2.547906 0.088088 2.605734 Rho 0.1240649E+06 3,-3 12 3 -3 2.575288 0.098689 -2.611471 Rho 0.1240650E+06 3,-3 13 3 -3 0.827424 -0.934616 0.869582 Rho 0.3187791E+03 3,-3 14 3 -3 -1.008577 -0.869225 -0.912303 Rho 0.3187874E+03 3,-3 15 3 -3 0.863466 0.882868 -0.900091 Rho 0.3187892E+03 3,-3 16 3 -3 -0.912610 0.915730 0.920796 Rho 0.3187714E+03 3,-3 17 3 -3 -3.048133 -1.136682 1.202362 Rho 0.3190145E+03 3,-3 18 3 -3 3.053908 -1.159006 -1.147058 Rho 0.3189192E+03 3,-3 19 3 -3 -2.997929 1.177508 -1.107588 Rho 0.3190137E+03 3,-3 20 3 -3 3.021857 1.162106 1.191329 Rho 0.3188652E+03 3,-3 21 3 -3 1.340802 -1.265323 -3.110538 Rho 0.3188290E+03 3,-3 22 3 -3 1.147642 1.161590 2.993323 Rho 0.3188747E+03 3,-3 23 3 -3 -1.160500 1.165123 -3.011772 Rho 0.3189264E+03 3,-3 24 3 -3 -1.186885 -1.154143 3.082740 Rho 0.3189649E+03 3,-3 25 3 -3 -1.159888 3.067783 -1.137853 Rho 0.3189603E+03 3,-3 26 3 -3 -1.244947 -2.999579 1.268542 Rho 0.3189384E+03 3,-3 27 3 -3 1.164628 3.025338 1.146656 Rho 0.3188702E+03 3,-3 28 3 -3 1.144206 -3.054235 -1.185301 Rho 0.3191197E+03 3,-3 29 3 -3 3.319974 -1.503814 1.520100 Rho 0.3189878E+03 3,-3 30 3 -3 -3.423988 -1.549862 -1.511213 Rho 0.3190036E+03 3,-3 31 3 -3 3.406899 1.474945 -1.460125 Rho 0.3190175E+03 3,-3 32 3 -3 -3.409250 1.525602 1.571273 Rho 0.3190086E+03 3,-3 33 3 -3 1.437715 -1.477173 3.422158 Rho 0.3189415E+03 3,-3 34 3 -3 1.523328 1.465680 -3.391237 Rho 0.3190963E+03 3,-3 35 3 -3 -1.496584 1.522609 3.426415 Rho 0.3190142E+03 3,-3 36 3 -3 -1.714050 -1.460019 -3.684904 Rho 0.3193127E+03 3,-3 37 3 -3 -1.525126 -3.597276 -1.264307 Rho 0.3188243E+03 3,-3 38 3 -3 -1.489116 3.388433 1.507725 Rho 0.3189694E+03 3,-3 39 3 -3 1.459682 -3.387939 1.520937 Rho 0.3189454E+03 3,-3 40 3 -3 1.530894 3.352908 -1.511627 Rho 0.3190220E+03 3,-3 41 3 -3 -0.201061 -3.762545 3.772787 Rho 0.3193353E+03 3,-3 42 3 -3 3.840404 -0.114093 -3.768076 Rho 0.3194606E+03 3,-3 43 3 -3 -0.200601 3.727577 -3.722903 Rho 0.3194790E+03 3,-3 44 3 -3 0.215669 3.750558 3.735117 Rho 0.3193290E+03 3,-3 45 3 -3 3.684798 -3.776110 -0.234181 Rho 0.3192955E+03 3,-3 46 3 -3 3.755827 3.724603 0.206198 Rho 0.3193384E+03 3,-3 47 3 -3 -3.790622 3.714626 -0.185358 Rho 0.3193126E+03 3,-3 48 3 -3 -3.876572 -3.667829 0.245576 Rho 0.3194835E+03 3,-3 49 3 -3 -3.813171 0.280759 -3.640285 Rho 0.3192761E+03 3,-3 50 3 -3 -3.750680 -0.193807 3.809762 Rho 0.3194766E+03 3,-3 51 3 -3 3.729700 0.155852 3.762980 Rho 0.3193294E+03 3,-3 52 3 -3 1.096937 -1.952442 -2.405947 Rho 0.4231796E+00 3,-3 53 3 -3 -0.548123 -3.347823 -1.250888 Rho 0.4274799E+00 3,-3 54 3 +1 -1.707331 0.563600 -0.496986 Rho 0.9950976E-02 |GRAD(Rho)| 0.1083380E-16 GRAD(Rho)x -0.7666848E-17 GRAD(Rho)y -0.7381986E-17 GRAD(Rho)z -0.2024087E-17 Laplacian 0.4213307E-01 (-1/4)Del**2(Rho)) -0.1053327E-01 Diamond 0.1458370E-02 Metallicity 0.7529501E+00 Ellipticity -0.1480224E+01 Gb(Abramov) 0.8344016E-02 Vb(Abramov) -0.6154765E-02 Hb(Abramov) 0.2189252E-02 Ex_ueg -0.1580784E-02 Ec_ueg -0.3658249E-03 Delta_ex -0.2028308E-02 Delta_ec 0.6475065E-03 Delta_et -0.4551828E-02 Pxc 0.4321151E+01 Qxc -0.3132491E+01 3,+1 55 3 -1 -3.241937 3.148239 -0.052660 Rho 0.2418109E+00 |GRAD(Rho)| 0.1935737E-15 GRAD(Rho)x -0.1934217E-15 GRAD(Rho)y 0.6505213E-18 GRAD(Rho)z 0.7643625E-17 Laplacian 0.8833635E+00 (-1/4)Del**2(Rho)) -0.2208409E+00 Diamond 0.3144791E+01 Metallicity 0.7321499E+01 Ellipticity 0.8849061E-02 Gb(Abramov) 0.4167083E+00 Vb(Abramov) -0.6125757E+00 Hb(Abramov) -0.1958674E+00 Ex_ueg -0.1112635E+00 Ec_ueg -0.1456438E-01 Delta_ex -0.1068969E+00 Delta_ec 0.1939725E-01 Delta_et -0.2684248E+00 Pxc 0.7639426E+01 Qxc -0.5510933E+01 3,-1 56 3 +1 -1.738842 -0.503751 0.576561 Rho 0.8737004E-02 |GRAD(Rho)| 0.8839555E-17 GRAD(Rho)x 0.1190243E-17 GRAD(Rho)y -0.7728616E-17 GRAD(Rho)z -0.4121837E-17 Laplacian 0.3632501E-01 (-1/4)Del**2(Rho)) -0.9081253E-02 Diamond 0.1082128E-02 Metallicity 0.7030911E+00 Ellipticity -0.1477326E+01 Gb(Abramov) 0.7118327E-02 Vb(Abramov) -0.5155400E-02 Hb(Abramov) 0.1962926E-02 Ex_ueg -0.1329031E-02 Ec_ueg -0.3111142E-03 Delta_ex -0.1705327E-02 Delta_ec 0.5811431E-03 Delta_et -0.3931671E-02 Pxc 0.4271843E+01 Qxc -0.2934436E+01 3,+1 57 3 +1 -0.576401 0.547954 -1.682787 Rho 0.9102465E-02 |GRAD(Rho)| 0.5311849E-14 GRAD(Rho)x -0.2201847E-14 GRAD(Rho)y -0.4779873E-14 GRAD(Rho)z 0.7214039E-15 Laplacian 0.3857266E-01 (-1/4)Del**2(Rho)) -0.9643164E-02 Diamond 0.1195429E-02 Metallicity 0.7089223E+00 Ellipticity -0.1453469E+01 Gb(Abramov) 0.7568152E-02 Vb(Abramov) -0.5493139E-02 Hb(Abramov) 0.2075012E-02 Ex_ueg -0.1403666E-02 Ec_ueg -0.3275175E-03 Delta_ex -0.1821182E-02 Delta_ec 0.6025078E-03 Delta_et -0.4130922E-02 Pxc 0.4285774E+01 Qxc -0.3022669E+01 3,+1 58 3 -1 -3.011114 1.964284 0.885524 Rho 0.1469074E+00 |GRAD(Rho)| 0.1435153E-13 GRAD(Rho)x 0.7957841E-14 GRAD(Rho)y 0.7211462E-14 GRAD(Rho)z -0.9520190E-14 Laplacian 0.5754401E+00 (-1/4)Del**2(Rho)) -0.1438600E+00 Diamond 0.1147597E+01 Metallicity 0.4898007E+01 Ellipticity 0.3471766E-01 Gb(Abramov) 0.2133446E+00 Vb(Abramov) -0.2828291E+00 Hb(Abramov) -0.6948456E-01 Ex_ueg -0.5725017E-01 Ec_ueg -0.8245841E-02 Delta_ex -0.6158695E-01 Delta_ec 0.1486382E-01 Delta_et -0.1977077E+00 Pxc 0.6942915E+01 Qxc -0.4143413E+01 3,-1 59 3 +1 -2.180504 -1.329600 -1.058247 Rho 0.2638333E-01 |GRAD(Rho)| 0.8147866E-12 GRAD(Rho)x 0.1541172E-12 GRAD(Rho)y -0.4391001E-12 GRAD(Rho)z 0.6688170E-12 Laplacian 0.1081018E+00 (-1/4)Del**2(Rho)) -0.2702544E-01 Diamond 0.1584688E-01 Metallicity 0.1490492E+01 Ellipticity -0.4076974E+01 Gb(Abramov) 0.2473050E-01 Vb(Abramov) -0.2243555E-01 Hb(Abramov) 0.2294946E-02 Ex_ueg -0.5800844E-02 Ec_ueg -0.1158612E-02 Delta_ex -0.6883602E-02 Delta_ec 0.1946304E-02 Delta_et -0.1738563E-01 Pxc 0.5006719E+01 Qxc -0.3536756E+01 3,+1 60 3 +1 -2.906117 -0.219707 -0.200961 Rho 0.5074315E-02 |GRAD(Rho)| 0.8022647E-17 GRAD(Rho)x -0.1283129E-17 GRAD(Rho)y 0.7851148E-17 GRAD(Rho)z -0.1037263E-17 Laplacian 0.2101551E-01 (-1/4)Del**2(Rho)) -0.5253877E-02 Diamond 0.4067534E-03 Metallicity 0.4913251E+00 Ellipticity -0.1599248E+01 Gb(Abramov) 0.3932812E-02 Vb(Abramov) -0.2611746E-02 Hb(Abramov) 0.1321065E-02 Ex_ueg -0.6440036E-03 Ec_ueg -0.1501123E-03 Delta_ex -0.9630435E-03 Delta_ec 0.5103449E-03 Delta_et -0.2845024E-02 Pxc 0.4290146E+01 Qxc -0.1887045E+01 3,+1 61 3 -1 -2.015203 -3.079400 -0.699303 Rho 0.1447044E+00 |GRAD(Rho)| 0.2454882E-15 GRAD(Rho)x 0.2310570E-15 GRAD(Rho)y 0.4994106E-16 GRAD(Rho)z -0.6620410E-16 Laplacian 0.5369389E+00 (-1/4)Del**2(Rho)) -0.1342347E+00 Diamond 0.1056881E+01 Metallicity 0.5118677E+01 Ellipticity 0.1261513E+00 Gb(Abramov) 0.2040072E+00 Vb(Abramov) -0.2737796E+00 Hb(Abramov) -0.6977246E-01 Ex_ueg -0.5610832E-01 Ec_ueg -0.8105384E-02 Delta_ex -0.5731031E-01 Delta_ec 0.1402013E-01 Delta_et -0.1862866E+00 Pxc 0.6922352E+01 Qxc -0.4087716E+01 3,-1 62 3 +1 0.011829 -2.954151 0.111949 Rho 0.4499148E-02 |GRAD(Rho)| 0.5997973E-17 GRAD(Rho)x 0.8402567E-18 GRAD(Rho)y 0.1829591E-18 GRAD(Rho)z -0.5936007E-17 Laplacian 0.1849268E-01 (-1/4)Del**2(Rho)) -0.4623170E-02 Diamond 0.3408270E-03 Metallicity 0.4569098E+00 Ellipticity -0.1872380E+01 Gb(Abramov) 0.3434175E-02 Vb(Abramov) -0.2245181E-02 Hb(Abramov) 0.1188995E-02 Ex_ueg -0.5485616E-03 Ec_ueg -0.1254232E-03 Delta_ex -0.8653566E-03 Delta_ec 0.5185895E-03 Delta_et -0.2754440E-02 Pxc 0.4373686E+01 Qxc -0.1668673E+01 3,+1 63 3 +1 -0.670241 -1.683474 0.530128 Rho 0.8190594E-02 |GRAD(Rho)| 0.1635743E-15 GRAD(Rho)x -0.1205153E-15 GRAD(Rho)y -0.6181138E-16 GRAD(Rho)z -0.9171673E-16 Laplacian 0.3366192E-01 (-1/4)Del**2(Rho)) -0.8415479E-02 Diamond 0.9054386E-03 Metallicity 0.6812920E+00 Ellipticity -0.1446914E+01 Gb(Abramov) 0.6565886E-02 Vb(Abramov) -0.4716293E-02 Hb(Abramov) 0.1849593E-02 Ex_ueg -0.1219380E-02 Ec_ueg -0.2866995E-03 Delta_ex -0.1549041E-02 Delta_ec 0.5273527E-03 Delta_et -0.3515197E-02 Pxc 0.4253162E+01 Qxc -0.2937391E+01 3,+1 64 3 +3 -1.152954 -1.096683 1.148786 Rho 0.4822153E-02 |GRAD(Rho)| 0.2163818E-13 GRAD(Rho)x 0.1294533E-13 GRAD(Rho)y -0.1104322E-13 GRAD(Rho)z -0.1336699E-13 Laplacian 0.1975839E-01 (-1/4)Del**2(Rho)) -0.4939597E-02 Diamond 0.1428340E-03 Metallicity 0.4800244E+00 Ellipticity -0.1975311E+00 Gb(Abramov) 0.3688252E-02 Vb(Abramov) -0.2436908E-02 Hb(Abramov) 0.1251344E-02 Ex_ueg -0.6016903E-03 Ec_ueg -0.1392674E-03 Delta_ex -0.6870541E-03 Delta_ec 0.1070998E-03 Delta_et -0.7843909E-03 Pxc 0.4320397E+01 Qxc -0.6415082E+01 3,+3 65 3 -1 -1.782094 -1.668118 -0.485987 Rho 0.3823375E-01 |GRAD(Rho)| 0.9030828E-16 GRAD(Rho)x -0.6646710E-16 GRAD(Rho)y -0.5353439E-16 GRAD(Rho)z 0.2952593E-16 Laplacian 0.1550188E+00 (-1/4)Del**2(Rho)) -0.3875469E-01 Diamond 0.5620614E-01 Metallicity 0.1928888E+01 Ellipticity 0.3615204E-01 Gb(Abramov) 0.3829537E-01 Vb(Abramov) -0.3783605E-01 Hb(Abramov) 0.4593192E-03 Ex_ueg -0.9512929E-02 Ec_ueg -0.1775631E-02 Delta_ex -0.1203553E-01 Delta_ec 0.4808220E-02 Delta_et -0.4722090E-01 Pxc 0.5357493E+01 Qxc -0.2503117E+01 3,-1 66 3 +1 -1.813348 -1.727762 1.825346 Rho 0.1235486E-01 |GRAD(Rho)| 0.1950230E-16 GRAD(Rho)x -0.1033449E-16 GRAD(Rho)y 0.1558429E-16 GRAD(Rho)z 0.5537848E-17 Laplacian 0.6204177E-01 (-1/4)Del**2(Rho)) -0.1551044E-01 Diamond 0.2573384E-02 Metallicity 0.7333742E+00 Ellipticity -0.1255890E+01 Gb(Abramov) 0.1223612E-01 Vb(Abramov) -0.8961800E-02 Hb(Abramov) 0.3274321E-02 Ex_ueg -0.2109449E-02 Ec_ueg -0.4759755E-03 Delta_ex -0.3069286E-02 Delta_ec 0.7983362E-03 Delta_et -0.6034220E-02 Pxc 0.4431844E+01 Qxc -0.3844603E+01 3,+1 67 3 -1 -0.189885 -1.331672 -3.357032 Rho 0.6025325E-02 |GRAD(Rho)| 0.3194009E-17 GRAD(Rho)x 0.2162019E-17 GRAD(Rho)y 0.2327911E-17 GRAD(Rho)z 0.3289400E-18 Laplacian 0.2387502E-01 (-1/4)Del**2(Rho)) -0.5968755E-02 Diamond 0.1063436E-02 Metallicity 0.5758424E+00 Ellipticity 0.7978671E-01 Gb(Abramov) 0.4552013E-02 Vb(Abramov) -0.3135272E-02 Hb(Abramov) 0.1416741E-02 Ex_ueg -0.8097651E-03 Ec_ueg -0.1913001E-03 Delta_ex -0.1483066E-02 Delta_ec 0.1201554E-02 Delta_et -0.6723417E-02 Pxc 0.4232957E+01 Qxc -0.1234290E+01 3,-1 68 3 +1 0.480608 -0.744634 -1.769602 Rho 0.5525141E-02 |GRAD(Rho)| 0.9971852E-16 GRAD(Rho)x -0.3828508E-16 GRAD(Rho)y 0.9110827E-16 GRAD(Rho)z -0.1331610E-16 Laplacian 0.2281675E-01 (-1/4)Del**2(Rho)) -0.5704186E-02 Diamond 0.4877003E-03 Metallicity 0.5215130E+00 Ellipticity -0.1682504E+01 Gb(Abramov) 0.4298592E-02 Vb(Abramov) -0.2892998E-02 Hb(Abramov) 0.1405594E-02 Ex_ueg -0.7214002E-03 Ec_ueg -0.1695813E-03 Delta_ex -0.1058424E-02 Delta_ec 0.5430832E-03 Delta_et -0.3109145E-02 Pxc 0.4254008E+01 Qxc -0.1948917E+01 3,+1 69 3 +1 -0.160000 -0.353672 -2.999116 Rho 0.3303238E-02 |GRAD(Rho)| 0.2163408E-16 GRAD(Rho)x -0.2080470E-16 GRAD(Rho)y -0.4769924E-17 GRAD(Rho)z -0.3527876E-17 Laplacian 0.1289716E-01 (-1/4)Del**2(Rho)) -0.3224290E-02 Diamond 0.1582356E-03 Metallicity 0.3914583E+00 Ellipticity -0.1712281E+01 Gb(Abramov) 0.2359889E-02 Vb(Abramov) -0.1495488E-02 Hb(Abramov) 0.8644009E-03 Ex_ueg -0.3633330E-03 Ec_ueg -0.7464131E-04 Delta_ex -0.5706055E-03 Delta_ec 0.3653369E-03 Delta_et -0.1767816E-02 Pxc 0.4867721E+01 Qxc -0.1561861E+01 3,+1 70 3 +1 -0.297083 -1.110315 -2.556265 Rho 0.3867972E-02 |GRAD(Rho)| 0.4769774E-17 GRAD(Rho)x 0.5147843E-18 GRAD(Rho)y -0.9613824E-18 GRAD(Rho)z -0.4643435E-17 Laplacian 0.1549993E-01 (-1/4)Del**2(Rho)) -0.3874983E-02 Diamond 0.1723471E-03 Metallicity 0.4237296E+00 Ellipticity -0.1320586E+01 Gb(Abramov) 0.2856980E-02 Vb(Abramov) -0.1838976E-02 Hb(Abramov) 0.1018004E-02 Ex_ueg -0.4484315E-03 Ec_ueg -0.9852708E-04 Delta_ex -0.6246819E-03 Delta_ec 0.2926957E-03 Delta_et -0.1551947E-02 Pxc 0.4551353E+01 Qxc -0.2134237E+01 3,+1 71 3 -1 0.249524 -1.171408 -1.875499 Rho 0.6015600E-02 |GRAD(Rho)| 0.1131362E-16 GRAD(Rho)x -0.1691419E-17 GRAD(Rho)y 0.3146198E-17 GRAD(Rho)z -0.1073492E-16 Laplacian 0.2442852E-01 (-1/4)Del**2(Rho)) -0.6107131E-02 Diamond 0.8891391E-03 Metallicity 0.5612818E+00 Ellipticity 0.8709754E+00 Gb(Abramov) 0.4642724E-02 Vb(Abramov) -0.3178317E-02 Hb(Abramov) 0.1464407E-02 Ex_ueg -0.8080230E-03 Ec_ueg -0.1908767E-03 Delta_ex -0.1374383E-02 Delta_ec 0.9747005E-03 Delta_et -0.5514124E-02 Pxc 0.4233220E+01 Qxc -0.1410057E+01 3,-1 72 3 +1 -0.570439 1.702425 -0.530048 Rho 0.8604046E-02 |GRAD(Rho)| 0.1037551E-16 GRAD(Rho)x 0.4296836E-17 GRAD(Rho)y -0.7871102E-17 GRAD(Rho)z 0.5218645E-17 Laplacian 0.3532737E-01 (-1/4)Del**2(Rho)) -0.8831842E-02 Diamond 0.9800251E-03 Metallicity 0.7047034E+00 Ellipticity -0.1426774E+01 Gb(Abramov) 0.6925200E-02 Vb(Abramov) -0.5018557E-02 Hb(Abramov) 0.1906642E-02 Ex_ueg -0.1302133E-02 Ec_ueg -0.3051611E-03 Delta_ex -0.1629400E-02 Delta_ec 0.5244591E-03 Delta_et -0.3562876E-02 Pxc 0.4267034E+01 Qxc -0.3106820E+01 3,+1 73 3 +3 -0.018800 -0.026862 2.339480 Rho 0.4376966E-02 |GRAD(Rho)| 0.6509684E-17 GRAD(Rho)x -0.5191716E-17 GRAD(Rho)y -0.3921107E-17 GRAD(Rho)z -0.2167743E-18 Laplacian 0.1819041E-01 (-1/4)Del**2(Rho)) -0.4547603E-02 Diamond 0.1513137E-03 Metallicity 0.4436691E+00 Ellipticity -0.2868827E+00 Gb(Abramov) 0.3368007E-02 Vb(Abramov) -0.2188412E-02 Hb(Abramov) 0.1179596E-02 Ex_ueg -0.5287892E-03 Ec_ueg -0.1202004E-03 Delta_ex -0.6561440E-03 Delta_ec 0.1700673E-03 Delta_et -0.1052234E-02 Pxc 0.4399230E+01 Qxc -0.3858144E+01 3,+3 74 3 +1 -0.580363 -0.537390 1.714740 Rho 0.8112764E-02 |GRAD(Rho)| 0.9418118E-17 GRAD(Rho)x -0.8995154E-18 GRAD(Rho)y -0.3649501E-17 GRAD(Rho)z 0.8635564E-17 Laplacian 0.3364973E-01 (-1/4)Del**2(Rho)) -0.8412433E-02 Diamond 0.8779918E-03 Metallicity 0.6707792E+00 Ellipticity -0.1413526E+01 Gb(Abramov) 0.6548770E-02 Vb(Abramov) -0.4685106E-02 Hb(Abramov) 0.1863663E-02 Ex_ueg -0.1203955E-02 Ec_ueg -0.2832328E-03 Delta_ex -0.1537312E-02 Delta_ec 0.5137333E-03 Delta_et -0.3425734E-02 Pxc 0.4250760E+01 Qxc -0.2992431E+01 3,+1 75 3 +3 -0.065335 -0.277765 -2.528306 Rho 0.3146274E-02 |GRAD(Rho)| 0.3157736E-15 GRAD(Rho)x -0.1603990E-16 GRAD(Rho)y 0.1510708E-15 GRAD(Rho)z 0.2768273E-15 Laplacian 0.1252786E-01 (-1/4)Del**2(Rho)) -0.3131965E-02 Diamond 0.9618072E-04 Metallicity 0.3715899E+00 Ellipticity -0.8110462E+00 Gb(Abramov) 0.2281944E-02 Vb(Abramov) -0.1431924E-02 Hb(Abramov) 0.8500206E-03 Ex_ueg -0.3404974E-03 Ec_ueg -0.6803297E-04 Delta_ex -0.4669147E-03 Delta_ec 0.2078956E-03 Delta_et -0.1059199E-02 Pxc 0.5004887E+01 Qxc -0.2245909E+01 3,+3 76 3 -1 -0.458004 -0.357727 -0.387772 Rho 0.2087479E+00 |GRAD(Rho)| 0.4265376E-13 GRAD(Rho)x 0.2601743E-13 GRAD(Rho)y 0.2425289E-13 GRAD(Rho)z 0.2354217E-13 Laplacian 0.7841562E+00 (-1/4)Del**2(Rho)) -0.1960391E+00 Diamond 0.2577564E+01 Metallicity 0.6455263E+01 Ellipticity 0.3274968E-01 Gb(Abramov) 0.3416067E+00 Vb(Abramov) -0.4871743E+00 Hb(Abramov) -0.1455676E+00 Ex_ueg -0.9145647E-01 Ec_ueg -0.1230556E-01 Delta_ex -0.9287072E-01 Delta_ec 0.2069496E-01 Delta_et -0.2944077E+00 Pxc 0.7432127E+01 Qxc -0.4487600E+01 3,-1 77 3 +1 -0.112224 0.091267 2.947220 Rho 0.5149460E-02 |GRAD(Rho)| 0.2565743E-17 GRAD(Rho)x -0.2792681E-18 GRAD(Rho)y 0.2061045E-17 GRAD(Rho)z -0.1502379E-17 Laplacian 0.2120478E-01 (-1/4)Del**2(Rho)) -0.5301195E-02 Diamond 0.5509163E-03 Metallicity 0.4990173E+00 Ellipticity -0.5969184E+01 Gb(Abramov) 0.3975028E-02 Vb(Abramov) -0.2648861E-02 Hb(Abramov) 0.1326167E-02 Ex_ueg -0.6567509E-03 Ec_ueg -0.1533503E-03 Delta_ex -0.1092840E-02 Delta_ec 0.7258169E-03 Delta_et -0.3953397E-02 Pxc 0.4282683E+01 Qxc -0.1505669E+01 3,+1 78 3 -1 0.822581 1.962834 -2.946219 Rho 0.1083848E+00 |GRAD(Rho)| 0.9154067E-13 GRAD(Rho)x 0.8887775E-13 GRAD(Rho)y 0.2153480E-13 GRAD(Rho)z -0.4085640E-14 Laplacian 0.4236225E+00 (-1/4)Del**2(Rho)) -0.1059056E+00 Diamond 0.5772461E+00 Metallicity 0.4007880E+01 Ellipticity 0.2888818E-01 Gb(Abramov) 0.1413466E+00 Vb(Abramov) -0.1767875E+00 Hb(Abramov) -0.3544096E-01 Ex_ueg -0.3816596E-01 Ec_ueg -0.5835713E-02 Delta_ex -0.4201761E-01 Delta_ec 0.1151100E-01 Delta_et -0.1451071E+00 Pxc 0.6540068E+01 Qxc -0.3650214E+01 3,-1 79 3 -1 0.444077 1.678659 -1.666852 Rho 0.4044695E-01 |GRAD(Rho)| 0.1648240E-14 GRAD(Rho)x -0.6836526E-15 GRAD(Rho)y -0.1209691E-14 GRAD(Rho)z -0.8865445E-15 Laplacian 0.1642191E+00 (-1/4)Del**2(Rho)) -0.4105476E-01 Diamond 0.6401848E-01 Metallicity 0.1999859E+01 Ellipticity 0.1653374E-01 Gb(Abramov) 0.4105380E-01 Vb(Abramov) -0.4105283E-01 Hb(Abramov) 0.9682162E-06 Ex_ueg -0.1025414E-01 Ec_ueg -0.1894055E-02 Delta_ex -0.1291245E-01 Delta_ec 0.5065767E-02 Delta_et -0.5051614E-01 Pxc 0.5413859E+01 Qxc -0.2548963E+01 3,-1 80 3 +3 -0.013212 2.334484 0.004968 Rho 0.4524515E-02 |GRAD(Rho)| 0.4628395E-17 GRAD(Rho)x -0.1813327E-17 GRAD(Rho)y 0.2214276E-17 GRAD(Rho)z -0.3637427E-17 Laplacian 0.1882244E-01 (-1/4)Del**2(Rho)) -0.4705610E-02 Diamond 0.1610345E-03 Metallicity 0.4531313E+00 Ellipticity -0.3306778E+00 Gb(Abramov) 0.3492450E-02 Vb(Abramov) -0.2279290E-02 Hb(Abramov) 0.1213160E-02 Ex_ueg -0.5526894E-03 Ec_ueg -0.1265085E-03 Delta_ex -0.6817849E-03 Delta_ec 0.1707861E-03 Delta_et -0.1072314E-02 Pxc 0.4368793E+01 Qxc -0.3992039E+01 3,+3 81 3 +1 1.137315 2.097011 -1.218686 Rho 0.2478991E-01 |GRAD(Rho)| 0.3373254E-16 GRAD(Rho)x -0.2244686E-16 GRAD(Rho)y -0.2053833E-16 GRAD(Rho)z 0.1456707E-16 Laplacian 0.9983138E-01 (-1/4)Del**2(Rho)) -0.2495784E-01 Diamond 0.1426482E-01 Metallicity 0.1454803E+01 Ellipticity -0.6902608E+01 Gb(Abramov) 0.2269002E-01 Vb(Abramov) -0.2042220E-01 Hb(Abramov) 0.2267822E-02 Ex_ueg -0.5338488E-02 Ec_ueg -0.1078142E-02 Delta_ex -0.6344236E-02 Delta_ec 0.1960520E-02 Delta_et -0.1720679E-01 Pxc 0.4951562E+01 Qxc -0.3235997E+01 3,+1 82 3 +1 0.515542 1.692295 0.525635 Rho 0.8527661E-02 |GRAD(Rho)| 0.1181258E-15 GRAD(Rho)x 0.2005011E-16 GRAD(Rho)y 0.9356308E-16 GRAD(Rho)z -0.6926507E-16 Laplacian 0.3567078E-01 (-1/4)Del**2(Rho)) -0.8917696E-02 Diamond 0.9803901E-03 Metallicity 0.6876230E+00 Ellipticity -0.1408269E+01 Gb(Abramov) 0.6967133E-02 Vb(Abramov) -0.5016569E-02 Hb(Abramov) 0.1950563E-02 Ex_ueg -0.1286742E-02 Ec_ueg -0.3017446E-03 Delta_ex -0.1642834E-02 Delta_ec 0.5318209E-03 Delta_et -0.3602750E-02 Pxc 0.4264342E+01 Qxc -0.3089073E+01 3,+1 83 3 -1 0.559668 1.802599 2.760531 Rho 0.1456393E+00 |GRAD(Rho)| 0.7291219E-16 GRAD(Rho)x 0.7243826E-16 GRAD(Rho)y -0.6342583E-17 GRAD(Rho)z -0.5353248E-17 Laplacian 0.6134337E+00 (-1/4)Del**2(Rho)) -0.1533584E+00 Diamond 0.1199368E+01 Metallicity 0.4528729E+01 Ellipticity 0.1188204E-01 Gb(Abramov) 0.2179921E+00 Vb(Abramov) -0.2826257E+00 Hb(Abramov) -0.6463365E-01 Ex_ueg -0.5659217E-01 Ec_ueg -0.8164951E-02 Delta_ex -0.6539698E-01 Delta_ec 0.1566943E-01 Delta_et -0.2077019E+00 Pxc 0.6931110E+01 Qxc -0.4173539E+01 3,-1 84 3 +1 0.149136 2.950136 -0.146639 Rho 0.5381782E-02 |GRAD(Rho)| 0.4954588E-16 GRAD(Rho)x 0.3801672E-16 GRAD(Rho)y 0.1821985E-17 GRAD(Rho)z -0.3172071E-16 Laplacian 0.2233258E-01 (-1/4)Del**2(Rho)) -0.5583146E-02 Diamond 0.5786151E-03 Metallicity 0.5099776E+00 Ellipticity -0.3270288E+01 Gb(Abramov) 0.4196644E-02 Vb(Abramov) -0.2810142E-02 Hb(Abramov) 0.1386502E-02 Ex_ueg -0.6965514E-03 Ec_ueg -0.1633793E-03 Delta_ex -0.1129395E-02 Delta_ec 0.7087306E-03 Delta_et -0.3932734E-02 Pxc 0.4263402E+01 Qxc -0.1593546E+01 3,+1 85 3 +1 -0.129076 2.963567 0.132356 Rho 0.5391066E-02 |GRAD(Rho)| 0.3186747E-16 GRAD(Rho)x -0.2873790E-16 GRAD(Rho)y 0.1974547E-18 GRAD(Rho)z 0.1377061E-16 Laplacian 0.2215719E-01 (-1/4)Del**2(Rho)) -0.5539296E-02 Diamond 0.5808935E-03 Metallicity 0.5154932E+00 Ellipticity -0.3714918E+01 Gb(Abramov) 0.4168776E-02 Vb(Abramov) -0.2798255E-02 Hb(Abramov) 0.1370520E-02 Ex_ueg -0.6981540E-03 Ec_ueg -0.1637806E-03 Delta_ex -0.1125512E-02 Delta_ec 0.7113974E-03 Delta_et -0.3946301E-02 Pxc 0.4262740E+01 Qxc -0.1582114E+01 3,+1 86 3 -1 0.567407 2.783206 1.790405 Rho 0.1388895E+00 |GRAD(Rho)| 0.6091853E-15 GRAD(Rho)x -0.4013716E-15 GRAD(Rho)y -0.1708567E-15 GRAD(Rho)z 0.4252241E-15 Laplacian 0.5820386E+00 (-1/4)Del**2(Rho)) -0.1455096E+00 Diamond 0.1080711E+01 Metallicity 0.4410054E+01 Ellipticity 0.1015988E-01 Gb(Abramov) 0.2039573E+00 Vb(Abramov) -0.2624050E+00 Hb(Abramov) -0.5844768E-01 Ex_ueg -0.5312240E-01 Ec_ueg -0.7736122E-02 Delta_ex -0.6139920E-01 Delta_ec 0.1515506E-01 Delta_et -0.1997132E+00 Pxc 0.6866800E+01 Qxc -0.4051400E+01 3,-1 87 3 -1 -0.002458 2.961189 0.005849 Rho 0.5406132E-02 |GRAD(Rho)| 0.4975328E-17 GRAD(Rho)x -0.1078984E-17 GRAD(Rho)y -0.2249194E-17 GRAD(Rho)z -0.4304743E-17 Laplacian 0.2187117E-01 (-1/4)Del**2(Rho)) -0.5467792E-02 Diamond 0.6535409E-03 Metallicity 0.5246692E+00 Ellipticity 0.4331291E+01 Gb(Abramov) 0.4123325E-02 Vb(Abramov) -0.2778858E-02 Hb(Abramov) 0.1344467E-02 Ex_ueg -0.7007566E-03 Ec_ueg -0.1644320E-03 Delta_ex -0.1176842E-02 Delta_ec 0.8187250E-03 Delta_et -0.4499719E-02 Pxc 0.4261682E+01 Qxc -0.1437408E+01 3,-1 88 3 +1 -2.017012 2.008138 2.040089 Rho 0.1246326E-01 |GRAD(Rho)| 0.1329731E-16 GRAD(Rho)x 0.1586956E-17 GRAD(Rho)y 0.1023848E-16 GRAD(Rho)z -0.8335077E-17 Laplacian 0.5853356E-01 (-1/4)Del**2(Rho)) -0.1463339E-01 Diamond 0.2039416E-02 Metallicity 0.7887284E+00 Ellipticity -0.1162661E+01 Gb(Abramov) 0.1167922E-01 Vb(Abramov) -0.8725054E-02 Hb(Abramov) 0.2954169E-02 Ex_ueg -0.2134161E-02 Ec_ueg -0.4809966E-03 Delta_ex -0.2787666E-02 Delta_ec 0.5482823E-03 Delta_et -0.4308565E-02 Pxc 0.4436956E+01 Qxc -0.5084364E+01 3,+1 89 3 -1 0.065302 3.195911 3.182163 Rho 0.2445001E+00 |GRAD(Rho)| 0.3854162E-15 GRAD(Rho)x -0.1271227E-16 GRAD(Rho)y 0.3465110E-15 GRAD(Rho)z 0.1682682E-15 Laplacian 0.8926094E+00 (-1/4)Del**2(Rho)) -0.2231523E+00 Diamond 0.3221186E+01 Metallicity 0.7380463E+01 Ellipticity 0.3212577E-02 Gb(Abramov) 0.4232628E+00 Vb(Abramov) -0.6233733E+00 Hb(Abramov) -0.2001105E+00 Ex_ueg -0.1129164E+00 Ec_ueg -0.1475075E-01 Delta_ex -0.1083335E+00 Delta_ec 0.1954381E-01 Delta_et -0.2705764E+00 Pxc 0.7654963E+01 Qxc -0.5543114E+01 3,-1 90 3 -1 -0.083474 3.174053 -3.152472 Rho 0.2341715E+00 |GRAD(Rho)| 0.5868193E-14 GRAD(Rho)x 0.2453590E-14 GRAD(Rho)y 0.5259302E-14 GRAD(Rho)z -0.8690965E-15 Laplacian 0.8432974E+00 (-1/4)Del**2(Rho)) -0.2108244E+00 Diamond 0.2906344E+01 Metallicity 0.7269800E+01 Ellipticity 0.8015671E-03 Gb(Abramov) 0.3959914E+00 Vb(Abramov) -0.5811584E+00 Hb(Abramov) -0.1851670E+00 Ex_ueg -0.1066016E+00 Ec_ueg -0.1403714E-01 Delta_ex -0.1012956E+00 Delta_ec 0.1887067E-01 Delta_et -0.2616057E+00 Pxc 0.7594256E+01 Qxc -0.5367887E+01 3,-1 91 3 -1 0.816650 -2.987773 1.987964 Rho 0.1575690E+00 |GRAD(Rho)| 0.4220463E-15 GRAD(Rho)x 0.3321724E-15 GRAD(Rho)y -0.1606246E-15 GRAD(Rho)z -0.2049007E-15 Laplacian 0.6249002E+00 (-1/4)Del**2(Rho)) -0.1562250E+00 Diamond 0.1342296E+01 Metallicity 0.5068977E+01 Ellipticity 0.5197388E-01 Gb(Abramov) 0.2361336E+00 Vb(Abramov) -0.3160421E+00 Hb(Abramov) -0.7990852E-01 Ex_ueg -0.6285589E-01 Ec_ueg -0.8929785E-02 Delta_ex -0.6791694E-01 Delta_ec 0.1564115E-01 Delta_et -0.2095517E+00 Pxc 0.7038904E+01 Qxc -0.4342197E+01 3,-1 92 3 -1 1.134795 -2.303486 -1.999755 Rho 0.5206450E-01 |GRAD(Rho)| 0.4271986E-14 GRAD(Rho)x 0.8805174E-15 GRAD(Rho)y 0.3730155E-14 GRAD(Rho)z -0.1886928E-14 Laplacian 0.1307475E+00 (-1/4)Del**2(Rho)) -0.3268688E-01 Diamond 0.1125403E+00 Metallicity 0.3826037E+01 Ellipticity 0.1322392E-01 Gb(Abramov) 0.4263479E-01 Vb(Abramov) -0.5258270E-01 Hb(Abramov) -0.9947909E-02 Ex_ueg -0.1435844E-01 Ec_ueg -0.2529306E-02 Delta_ex -0.1260860E-01 Delta_ec 0.6994199E-02 Delta_et -0.7552493E-01 Pxc 0.5676831E+01 Qxc -0.1802723E+01 3,-1 93 3 -1 2.888657 -1.997226 0.791565 Rho 0.1037844E+00 |GRAD(Rho)| 0.2092072E-15 GRAD(Rho)x 0.1283628E-15 GRAD(Rho)y 0.3166548E-16 GRAD(Rho)z 0.1621357E-15 Laplacian 0.4162862E+00 (-1/4)Del**2(Rho)) -0.1040716E+00 Diamond 0.5409575E+00 Metallicity 0.3794090E+01 Ellipticity 0.3835062E-02 Gb(Abramov) 0.1351905E+00 Vb(Abramov) -0.1663095E+00 Hb(Abramov) -0.3111896E-01 Ex_ueg -0.3602143E-01 Ec_ueg -0.5554860E-02 Delta_ex -0.4091325E-01 Delta_ec 0.1149815E-01 Delta_et -0.1438561E+00 Pxc 0.6484669E+01 Qxc -0.3558246E+01 3,-1 94 3 +3 -0.137746 -2.380463 -0.064186 Rho 0.3890862E-02 |GRAD(Rho)| 0.6347994E-14 GRAD(Rho)x 0.3119765E-14 GRAD(Rho)y 0.4495089E-14 GRAD(Rho)z 0.3218427E-14 Laplacian 0.1599705E-01 (-1/4)Del**2(Rho)) -0.3999262E-02 Diamond 0.1094152E-03 Metallicity 0.4146194E+00 Ellipticity -0.2350466E+00 Gb(Abramov) 0.2942537E-02 Vb(Abramov) -0.1885811E-02 Hb(Abramov) 0.1056725E-02 Ex_ueg -0.4519734E-03 Ec_ueg -0.9949884E-04 Delta_ex -0.5548925E-03 Delta_ec 0.1402286E-03 Delta_et -0.8560872E-03 Pxc 0.4542499E+01 Qxc -0.3957058E+01 3,+3 95 3 +1 1.226815 -2.139767 1.058972 Rho 0.2545296E-01 |GRAD(Rho)| 0.1524250E-14 GRAD(Rho)x 0.1081232E-14 GRAD(Rho)y -0.8084545E-15 GRAD(Rho)z -0.7075850E-15 Laplacian 0.1010450E+00 (-1/4)Del**2(Rho)) -0.2526126E-01 Diamond 0.1410835E-01 Metallicity 0.1501973E+01 Ellipticity -0.4557532E+01 Gb(Abramov) 0.2316446E-01 Vb(Abramov) -0.2106766E-01 Hb(Abramov) 0.2096799E-02 Ex_ueg -0.5529716E-02 Ec_ueg -0.1111547E-02 Delta_ex -0.6374277E-02 Delta_ec 0.1821055E-02 Delta_et -0.1612213E-01 Pxc 0.4974793E+01 Qxc -0.3500322E+01 3,+1 96 3 +3 0.965581 -1.105461 -1.242195 Rho 0.4248918E-02 |GRAD(Rho)| 0.7178267E-17 GRAD(Rho)x 0.3456355E-17 GRAD(Rho)y 0.2691115E-17 GRAD(Rho)z -0.5686741E-17 Laplacian 0.1748499E-01 (-1/4)Del**2(Rho)) -0.4371248E-02 Diamond 0.1368939E-03 Metallicity 0.4392836E+00 Ellipticity -0.4346402E+00 Gb(Abramov) 0.3234201E-02 Vb(Abramov) -0.2097155E-02 Hb(Abramov) 0.1137046E-02 Ex_ueg -0.5082642E-03 Ec_ueg -0.1147353E-03 Delta_ex -0.6227229E-03 Delta_ec 0.1576803E-03 Delta_et -0.9766054E-03 Pxc 0.4429887E+01 Qxc -0.3949275E+01 3,+3 97 3 +1 0.369433 -1.739487 -0.684304 Rho 0.7379330E-02 |GRAD(Rho)| 0.1432449E-15 GRAD(Rho)x -0.1066779E-15 GRAD(Rho)y -0.9396475E-16 GRAD(Rho)z 0.1759457E-16 Laplacian 0.3038178E-01 (-1/4)Del**2(Rho)) -0.7595444E-02 Diamond 0.8842198E-03 Metallicity 0.6343976E+00 Ellipticity -0.1735688E+01 Gb(Abramov) 0.5866718E-02 Vb(Abramov) -0.4137992E-02 Hb(Abramov) 0.1728726E-02 Ex_ueg -0.1061062E-02 Ec_ueg -0.2506995E-03 Delta_ex -0.1459414E-02 Delta_ec 0.6486408E-03 Delta_et -0.4074207E-02 Pxc 0.4232407E+01 Qxc -0.2249957E+01 3,+1 98 3 +1 1.954654 -2.017474 2.023278 Rho 0.1262079E-01 |GRAD(Rho)| 0.7646110E-16 GRAD(Rho)x -0.5823656E-16 GRAD(Rho)y -0.4179859E-16 GRAD(Rho)z 0.2660228E-16 Laplacian 0.5917896E-01 (-1/4)Del**2(Rho)) -0.1479474E-01 Diamond 0.2155772E-02 Metallicity 0.7966300E+00 Ellipticity -0.1194818E+01 Gb(Abramov) 0.1182748E-01 Vb(Abramov) -0.8860225E-02 Hb(Abramov) 0.2967258E-02 Ex_ueg -0.2170203E-02 Ec_ueg -0.4883021E-03 Delta_ex -0.2843805E-02 Delta_ec 0.5822109E-03 Delta_et -0.4558598E-02 Pxc 0.4444386E+01 Qxc -0.4884493E+01 3,+1 99 3 -1 1.739351 -2.824447 -0.643034 Rho 0.2015966E+00 |GRAD(Rho)| 0.7796699E-15 GRAD(Rho)x -0.6642365E-15 GRAD(Rho)y 0.1705992E-15 GRAD(Rho)z -0.3709056E-15 Laplacian 0.7857256E+00 (-1/4)Del**2(Rho)) -0.1964314E+00 Diamond 0.2242253E+01 Metallicity 0.6078750E+01 Ellipticity 0.4339300E-02 Gb(Abramov) 0.3299638E+00 Vb(Abramov) -0.4634962E+00 Hb(Abramov) -0.1335324E+00 Ex_ueg -0.8730303E-01 Ec_ueg -0.1182493E-01 Delta_ex -0.9067394E-01 Delta_ec 0.1811231E-01 Delta_et -0.2479802E+00 Pxc 0.7382963E+01 Qxc -0.5006206E+01 3,-1 100 3 -1 1.914161 -2.983761 0.796857 Rho 0.1220182E+00 |GRAD(Rho)| 0.1743756E-15 GRAD(Rho)x -0.1357963E-16 GRAD(Rho)y 0.1735604E-15 GRAD(Rho)z -0.9961107E-17 Laplacian 0.4819119E+00 (-1/4)Del**2(Rho)) -0.1204780E+00 Diamond 0.7702023E+00 Metallicity 0.4292268E+01 Ellipticity 0.1484079E-01 Gb(Abramov) 0.1665059E+00 Vb(Abramov) -0.2125339E+00 Hb(Abramov) -0.4602797E-01 Ex_ueg -0.4469766E-01 Ec_ueg -0.6677158E-02 Delta_ex -0.4933332E-01 Delta_ec 0.1304317E-01 Delta_et -0.1684531E+00 Pxc 0.6694114E+01 Qxc -0.3782312E+01 3,-1 101 3 +3 -1.123319 1.145300 -1.124550 Rho 0.5162724E-02 |GRAD(Rho)| 0.6837952E-15 GRAD(Rho)x -0.3356448E-15 GRAD(Rho)y -0.1843448E-15 GRAD(Rho)z 0.5665116E-15 Laplacian 0.2119466E-01 (-1/4)Del**2(Rho)) -0.5298665E-02 Diamond 0.1614212E-03 Metallicity 0.5014006E+00 Ellipticity -0.2347217E+00 Gb(Abramov) 0.3975236E-02 Vb(Abramov) -0.2651806E-02 Hb(Abramov) 0.1323429E-02 Ex_ueg -0.6590073E-03 Ec_ueg -0.1539222E-03 Delta_ex -0.7448327E-03 Delta_ec 0.1041214E-03 Delta_et -0.7978317E-03 Pxc 0.4281432E+01 Qxc -0.7153500E+01 3,+3 102 3 +1 1.867441 -1.779935 -1.751516 Rho 0.1482536E-01 |GRAD(Rho)| 0.1077299E-16 GRAD(Rho)x 0.6180626E-17 GRAD(Rho)y 0.1053527E-17 GRAD(Rho)z 0.8760552E-17 Laplacian 0.7031367E-01 (-1/4)Del**2(Rho)) -0.1757842E-01 Diamond 0.3868801E-02 Metallicity 0.8768302E+00 Ellipticity -0.1426116E+01 Gb(Abramov) 0.1428783E-01 Vb(Abramov) -0.1099723E-01 Hb(Abramov) 0.3290591E-02 Ex_ueg -0.2689834E-02 Ec_ueg -0.5915195E-03 Delta_ex -0.3678312E-02 Delta_ec 0.9523088E-03 Delta_et -0.7488906E-02 Pxc 0.4547329E+01 Qxc -0.3862520E+01 3,+1 103 3 -1 1.603656 -1.717474 0.415969 Rho 0.3997821E-01 |GRAD(Rho)| 0.8126486E-17 GRAD(Rho)x -0.4483981E-17 GRAD(Rho)y 0.1590728E-17 GRAD(Rho)z -0.6588116E-17 Laplacian 0.1549820E+00 (-1/4)Del**2(Rho)) -0.3874549E-01 Diamond 0.5742648E-01 Metallicity 0.2078281E+01 Ellipticity 0.1156002E-01 Gb(Abramov) 0.3925100E-01 Vb(Abramov) -0.3975651E-01 Hb(Abramov) -0.5055074E-03 Ex_ueg -0.1009601E-01 Ec_ueg -0.1868898E-02 Delta_ex -0.1203269E-01 Delta_ec 0.4569489E-02 Delta_et -0.4539980E-01 Pxc 0.5402116E+01 Qxc -0.2633267E+01 3,-1 104 3 +3 1.830177 1.782959 -1.835398 Rho 0.1167022E-01 |GRAD(Rho)| 0.8192193E-17 GRAD(Rho)x -0.3080180E-17 GRAD(Rho)y 0.7193878E-17 GRAD(Rho)z -0.2423350E-17 Laplacian 0.5308268E-01 (-1/4)Del**2(Rho)) -0.1327067E-01 Diamond 0.1066459E-02 Metallicity 0.7794568E+00 Ellipticity -0.5771392E+00 Gb(Abramov) 0.1057110E-01 Vb(Abramov) -0.7871529E-02 Hb(Abramov) 0.2699571E-02 Ex_ueg -0.1955047E-02 Ec_ueg -0.4443667E-03 Delta_ex -0.2295991E-02 Delta_ec 0.1638012E-03 Delta_et -0.1629387E-02 Pxc 0.4399625E+01 Qxc -0.1401694E+02 3,+3 105 3 +1 2.095846 0.997552 -1.348893 Rho 0.2233687E-01 |GRAD(Rho)| 0.1162875E-16 GRAD(Rho)x -0.7738625E-17 GRAD(Rho)y 0.8319541E-17 GRAD(Rho)z -0.2475207E-17 Laplacian 0.8665145E-01 (-1/4)Del**2(Rho)) -0.2166286E-01 Diamond 0.9599579E-02 Metallicity 0.1408882E+01 Ellipticity -0.3060424E+01 Gb(Abramov) 0.1952864E-01 Vb(Abramov) -0.1739443E-01 Hb(Abramov) 0.2134219E-02 Ex_ueg -0.4646025E-02 Ec_ueg -0.9555877E-03 Delta_ex -0.5216695E-02 Delta_ec 0.1446440E-02 Delta_et -0.1242544E-01 Pxc 0.4861955E+01 Qxc -0.3606574E+01 3,+1 106 3 +1 2.961033 0.087576 -0.069033 Rho 0.5090090E-02 |GRAD(Rho)| 0.1157684E-16 GRAD(Rho)x 0.8073820E-19 GRAD(Rho)y 0.8488327E-17 GRAD(Rho)z -0.7871789E-17 Laplacian 0.2089186E-01 (-1/4)Del**2(Rho)) -0.5222965E-02 Diamond 0.5346155E-03 Metallicity 0.4967965E+00 Ellipticity -0.5293147E+01 Gb(Abramov) 0.3914435E-02 Vb(Abramov) -0.2605905E-02 Hb(Abramov) 0.1308530E-02 Ex_ueg -0.6466744E-03 Ec_ueg -0.1507918E-03 Delta_ex -0.1074571E-02 Delta_ec 0.7154647E-03 Delta_et -0.3883225E-02 Pxc 0.4288525E+01 Qxc -0.1501921E+01 3,+1 107 3 +1 1.664131 0.508901 0.557282 Rho 0.7812304E-02 |GRAD(Rho)| 0.1589567E-14 GRAD(Rho)x 0.1679518E-15 GRAD(Rho)y -0.8693866E-15 GRAD(Rho)z 0.1320107E-14 Laplacian 0.3207597E-01 (-1/4)Del**2(Rho)) -0.8018993E-02 Diamond 0.7960787E-03 Metallicity 0.6607926E+00 Ellipticity -0.1411896E+01 Gb(Abramov) 0.6229144E-02 Vb(Abramov) -0.4439295E-02 Hb(Abramov) 0.1789849E-02 Ex_ueg -0.1144873E-02 Ec_ueg -0.2698754E-03 Delta_ex -0.1452303E-02 Delta_ec 0.4906376E-03 Delta_et -0.3238622E-02 Pxc 0.4242227E+01 Qxc -0.2960031E+01 3,+1 108 3 +1 1.751836 1.761760 1.748771 Rho 0.1243556E-01 |GRAD(Rho)| 0.5923028E-14 GRAD(Rho)x 0.2112360E-14 GRAD(Rho)y -0.5093421E-14 GRAD(Rho)z 0.2162697E-14 Laplacian 0.6242818E-01 (-1/4)Del**2(Rho)) -0.1560704E-01 Diamond 0.2596251E-02 Metallicity 0.7367856E+00 Ellipticity -0.1248003E+01 Gb(Abramov) 0.1232120E-01 Vb(Abramov) -0.9035364E-02 Hb(Abramov) 0.3285841E-02 Ex_ueg -0.2127838E-02 Ec_ueg -0.4797129E-03 Delta_ex -0.3089212E-02 Delta_ec 0.7952415E-03 Delta_et -0.6026482E-02 Pxc 0.4435650E+01 Qxc -0.3884621E+01 3,+1 109 3 +1 2.030508 1.978755 -2.025672 Rho 0.1214319E-01 |GRAD(Rho)| 0.1496198E-16 GRAD(Rho)x -0.1426121E-17 GRAD(Rho)y -0.1246243E-16 GRAD(Rho)z -0.8155664E-17 Laplacian 0.5732146E-01 (-1/4)Del**2(Rho)) -0.1433036E-01 Diamond 0.2008221E-02 Metallicity 0.7712296E+00 Ellipticity -0.1186117E+01 Gb(Abramov) 0.1139558E-01 Vb(Abramov) -0.8460789E-02 Hb(Abramov) 0.2934788E-02 Ex_ueg -0.2061398E-02 Ec_ueg -0.4661830E-03 Delta_ex -0.2733613E-02 Delta_ec 0.5783054E-03 Delta_et -0.4475465E-02 Pxc 0.4421865E+01 Qxc -0.4726937E+01 3,+1 110 3 -1 2.785602 1.788173 0.593328 Rho 0.1474404E+00 |GRAD(Rho)| 0.1332549E-15 GRAD(Rho)x -0.1313240E-16 GRAD(Rho)y -0.6662422E-16 GRAD(Rho)z -0.1146544E-15 Laplacian 0.6237652E+00 (-1/4)Del**2(Rho)) -0.1559413E+00 Diamond 0.1240772E+01 Metallicity 0.4545894E+01 Ellipticity 0.1163399E-01 Gb(Abramov) 0.2221096E+00 Vb(Abramov) -0.2882780E+00 Hb(Abramov) -0.6616834E-01 Ex_ueg -0.5752724E-01 Ec_ueg -0.8279862E-02 Delta_ex -0.6673026E-01 Delta_ec 0.1594086E-01 Delta_et -0.2117969E+00 Pxc 0.6947851E+01 Qxc -0.4186114E+01 3,-1 111 3 -1 2.807051 -0.564789 -1.836428 Rho 0.1175563E+00 |GRAD(Rho)| 0.2835769E-15 GRAD(Rho)x -0.3306647E-16 GRAD(Rho)y 0.1589034E-15 GRAD(Rho)z -0.2325343E-15 Laplacian 0.4781774E+00 (-1/4)Del**2(Rho)) -0.1195443E+00 Diamond 0.7175304E+00 Metallicity 0.4065375E+01 Ellipticity 0.1381922E-01 Gb(Abramov) 0.1606950E+00 Vb(Abramov) -0.2018456E+00 Hb(Abramov) -0.4115064E-01 Ex_ueg -0.4253171E-01 Ec_ueg -0.6400309E-02 Delta_ex -0.4833732E-01 Delta_ec 0.1272888E-01 Delta_et -0.1628009E+00 Pxc 0.6645259E+01 Qxc -0.3797451E+01 3,-1 112 3 -1 1.690121 0.486015 -1.727238 Rho 0.3153221E-01 |GRAD(Rho)| 0.1093956E-11 GRAD(Rho)x -0.9025218E-12 GRAD(Rho)y -0.3818730E-13 GRAD(Rho)z -0.6170378E-12 Laplacian 0.1279368E+00 (-1/4)Del**2(Rho)) -0.3198419E-01 Diamond 0.3513614E-01 Metallicity 0.1695151E+01 Ellipticity 0.3353330E-01 Gb(Abramov) 0.3035914E-01 Vb(Abramov) -0.2873408E-01 Hb(Abramov) 0.1625057E-02 Ex_ueg -0.7357398E-02 Ec_ueg -0.1422908E-02 Delta_ex -0.9433835E-02 Delta_ec 0.3892226E-02 Delta_et -0.3624460E-01 Pxc 0.5170678E+01 Qxc -0.2423764E+01 3,-1 113 3 -1 -0.628139 -2.780278 1.859396 Rho 0.1582604E+00 |GRAD(Rho)| 0.4256601E-15 GRAD(Rho)x -0.1584833E-15 GRAD(Rho)y 0.1017795E-15 GRAD(Rho)z 0.3817205E-15 Laplacian 0.6682261E+00 (-1/4)Del**2(Rho)) -0.1670565E+00 Diamond 0.1440858E+01 Metallicity 0.4775036E+01 Ellipticity 0.2611385E-01 Gb(Abramov) 0.2443212E+00 Vb(Abramov) -0.3215858E+00 Hb(Abramov) -0.7726464E-01 Ex_ueg -0.6322389E-01 Ec_ueg -0.8974375E-02 Delta_ex -0.7268535E-01 Delta_ec 0.1667284E-01 Delta_et -0.2234152E+00 Pxc 0.7044935E+01 Qxc -0.4359506E+01 3,-1 114 3 -1 -2.981342 0.845159 2.046383 Rho 0.1257455E+00 |GRAD(Rho)| 0.1819286E-13 GRAD(Rho)x 0.6270422E-14 GRAD(Rho)y 0.8618825E-14 GRAD(Rho)z -0.1474373E-13 Laplacian 0.4999913E+00 (-1/4)Del**2(Rho)) -0.1249978E+00 Diamond 0.8107207E+00 Metallicity 0.4349821E+01 Ellipticity 0.4674301E-01 Gb(Abramov) 0.1739516E+00 Vb(Abramov) -0.2229054E+00 Hb(Abramov) -0.4895376E-01 Ex_ueg -0.4652735E-01 Ec_ueg -0.6909474E-02 Delta_ex -0.5132864E-01 Delta_ec 0.1303681E-01 Delta_et -0.1685482E+00 Pxc 0.6733848E+01 Qxc -0.3937208E+01 3,-1 115 3 -1 -2.796674 1.777244 -0.547158 Rho 0.1900418E+00 |GRAD(Rho)| 0.2810733E-15 GRAD(Rho)x 0.5490129E-16 GRAD(Rho)y -0.2385245E-15 GRAD(Rho)z 0.1381816E-15 Laplacian 0.7802197E+00 (-1/4)Del**2(Rho)) -0.1950549E+00 Diamond 0.2069201E+01 Metallicity 0.5548106E+01 Ellipticity 0.1937160E-01 Gb(Abramov) 0.3104008E+00 Vb(Abramov) -0.4257467E+00 Hb(Abramov) -0.1153459E+00 Ex_ueg -0.8069572E-01 Ec_ueg -0.1105439E-01 Delta_ex -0.8865688E-01 Delta_ec 0.1821467E-01 Delta_et -0.2479813E+00 Pxc 0.7299880E+01 Qxc -0.4867333E+01 3,-1 116 3 +1 -2.131301 1.060248 1.363559 Rho 0.2404386E-01 |GRAD(Rho)| 0.1510198E-15 GRAD(Rho)x -0.1368181E-15 GRAD(Rho)y -0.3974644E-16 GRAD(Rho)z 0.5007977E-16 Laplacian 0.9350378E-01 (-1/4)Del**2(Rho)) -0.2337594E-01 Diamond 0.1155344E-01 Metallicity 0.1476129E+01 Ellipticity -0.3455905E+01 Gb(Abramov) 0.2133495E-01 Vb(Abramov) -0.1929395E-01 Hb(Abramov) 0.2040996E-02 Ex_ueg -0.5125356E-02 Ec_ueg -0.1040696E-02 Delta_ex -0.5751047E-02 Delta_ec 0.1579188E-02 Delta_et -0.1380900E-01 Pxc 0.4924933E+01 Qxc -0.3641775E+01 3,+1 117 3 +1 -1.744678 1.761550 -1.739692 Rho 0.1163192E-01 |GRAD(Rho)| 0.2239536E-14 GRAD(Rho)x 0.1642831E-14 GRAD(Rho)y -0.1500728E-14 GRAD(Rho)z -0.2538602E-15 Laplacian 0.5670164E-01 (-1/4)Del**2(Rho)) -0.1417541E-01 Diamond 0.2188089E-02 Metallicity 0.7257213E+00 Ellipticity -0.1282490E+01 Gb(Abramov) 0.1116484E-01 Vb(Abramov) -0.8154269E-02 Hb(Abramov) 0.3010571E-02 Ex_ueg -0.1946496E-02 Ec_ueg -0.4426039E-03 Delta_ex -0.2767682E-02 Delta_ec 0.7419292E-03 Delta_et -0.5516300E-02 Pxc 0.4397829E+01 Qxc -0.3730385E+01 3,+1 118 3 +1 -1.276762 2.123051 1.115885 Rho 0.2638595E-01 |GRAD(Rho)| 0.3231036E-16 GRAD(Rho)x -0.2541376E-16 GRAD(Rho)y -0.1747078E-16 GRAD(Rho)z -0.9637004E-17 Laplacian 0.1053166E+00 (-1/4)Del**2(Rho)) -0.2632915E-01 Diamond 0.1543424E-01 Metallicity 0.1530162E+01 Ellipticity -0.4761894E+01 Gb(Abramov) 0.2426741E-01 Vb(Abramov) -0.2220568E-01 Hb(Abramov) 0.2061738E-02 Ex_ueg -0.5801612E-02 Ec_ueg -0.1158745E-02 Delta_ex -0.6705775E-02 Delta_ec 0.1894992E-02 Delta_et -0.1692791E-01 Pxc 0.5006808E+01 Qxc -0.3538682E+01 3,+1 119 3 -1 -1.981499 0.845291 3.017305 Rho 0.1293418E+00 |GRAD(Rho)| 0.3646110E-15 GRAD(Rho)x 0.1311614E-15 GRAD(Rho)y 0.1647174E-15 GRAD(Rho)z 0.2976677E-15 Laplacian 0.5087517E+00 (-1/4)Del**2(Rho)) -0.1271879E+00 Diamond 0.8546847E+00 Metallicity 0.4480628E+01 Ellipticity 0.4483350E-01 Gb(Abramov) 0.1797722E+00 Vb(Abramov) -0.2323566E+00 Hb(Abramov) -0.5258431E-01 Ex_ueg -0.4830999E-01 Ec_ueg -0.7134520E-02 Delta_ex -0.5260062E-01 Delta_ec 0.1320476E-01 Delta_et -0.1715552E+00 Pxc 0.6771303E+01 Qxc -0.3983458E+01 3,-1 120 3 +3 -1.862099 1.836272 1.877964 Rho 0.1217970E-01 |GRAD(Rho)| 0.1198859E-16 GRAD(Rho)x -0.1082549E-16 GRAD(Rho)y -0.1444750E-17 GRAD(Rho)z -0.4944476E-17 Laplacian 0.5546484E-01 (-1/4)Del**2(Rho)) -0.1386621E-01 Diamond 0.1220388E-02 Metallicity 0.8010440E+00 Ellipticity -0.6778113E+00 Gb(Abramov) 0.1109538E-01 Vb(Abramov) -0.8324551E-02 Hb(Abramov) 0.2770829E-02 Ex_ueg -0.2069667E-02 Ec_ueg -0.4678709E-03 Delta_ex -0.2440189E-02 Delta_ec 0.1899007E-03 Delta_et -0.1833184E-02 Pxc 0.4423586E+01 Qxc -0.1284982E+02 3,+3 121 3 -1 -1.718455 1.666923 0.502279 Rho 0.4257828E-01 |GRAD(Rho)| 0.2130114E-12 GRAD(Rho)x -0.1479366E-12 GRAD(Rho)y 0.1374211E-12 GRAD(Rho)z -0.6785327E-13 Laplacian 0.1669904E+00 (-1/4)Del**2(Rho)) -0.4174760E-01 Diamond 0.6714614E-01 Metallicity 0.2142406E+01 Ellipticity 0.2357710E-01 Gb(Abramov) 0.4273845E-01 Vb(Abramov) -0.4372930E-01 Hb(Abramov) -0.9908530E-03 Ex_ueg -0.1098085E-01 Ec_ueg -0.2008934E-02 Delta_ex -0.1315576E-01 Delta_ec 0.4896139E-02 Delta_et -0.4946864E-01 Pxc 0.5466006E+01 Qxc -0.2686966E+01 3,-1 122 3 +1 -0.242502 -2.224831 -1.067439 Rho 0.7512178E-02 |GRAD(Rho)| 0.3742857E-17 GRAD(Rho)x -0.3723557E-17 GRAD(Rho)y 0.1016440E-19 GRAD(Rho)z 0.3794708E-18 Laplacian 0.3037648E-01 (-1/4)Del**2(Rho)) -0.7594121E-02 Diamond 0.9570671E-03 Metallicity 0.6536603E+00 Ellipticity -0.1916877E+01 Gb(Abramov) 0.5890077E-02 Vb(Abramov) -0.4186032E-02 Hb(Abramov) 0.1704044E-02 Ex_ueg -0.1086608E-02 Ec_ueg -0.2565740E-03 Delta_ex -0.1492857E-02 Delta_ec 0.6980424E-03 Delta_et -0.4379138E-02 Pxc 0.4235066E+01 Qxc -0.2138633E+01 3,+1 123 3 -1 -0.589890 -1.812194 2.815409 Rho 0.1287642E+00 |GRAD(Rho)| 0.5584227E-15 GRAD(Rho)x 0.2697495E-15 GRAD(Rho)y -0.4279482E-15 GRAD(Rho)z -0.2364984E-15 Laplacian 0.5344890E+00 (-1/4)Del**2(Rho)) -0.1336223E+00 Diamond 0.9077422E+00 Metallicity 0.4233175E+01 Ellipticity 0.1363129E-01 Gb(Abramov) 0.1833559E+00 Vb(Abramov) -0.2330896E+00 Hb(Abramov) -0.4973365E-01 Ex_ueg -0.4802255E-01 Ec_ueg -0.7098316E-02 Delta_ex -0.5538063E-01 Delta_ec 0.1420674E-01 Delta_et -0.1850339E+00 Pxc 0.6765344E+01 Qxc -0.3898195E+01 3,-1 124 3 -1 0.090322 -1.940309 -1.025439 Rho 0.8049881E-02 |GRAD(Rho)| 0.3783335E-16 GRAD(Rho)x -0.2252176E-16 GRAD(Rho)y 0.3027465E-16 GRAD(Rho)z 0.2752857E-17 Laplacian 0.3164528E-01 (-1/4)Del**2(Rho)) -0.7911321E-02 Diamond 0.1627317E-02 Metallicity 0.7040767E+00 Ellipticity 0.5329938E+00 Gb(Abramov) 0.6202577E-02 Vb(Abramov) -0.4493833E-02 Hb(Abramov) 0.1708744E-02 Ex_ueg -0.1191528E-02 Ec_ueg -0.2804339E-03 Delta_ex -0.1841706E-02 Delta_ec 0.1195076E-02 Delta_et -0.7409332E-02 Pxc 0.4248874E+01 Qxc -0.1541079E+01 3,-1 125 3 +1 0.301108 -1.487789 -1.676064 Rho 0.5827764E-02 |GRAD(Rho)| 0.5798676E-17 GRAD(Rho)x -0.4562649E-17 GRAD(Rho)y 0.3565162E-17 GRAD(Rho)z 0.3106493E-18 Laplacian 0.2360910E-01 (-1/4)Del**2(Rho)) -0.5902274E-02 Diamond 0.6238480E-03 Metallicity 0.5508547E+00 Ellipticity -0.2387494E+01 Gb(Abramov) 0.4476732E-02 Vb(Abramov) -0.3051190E-02 Hb(Abramov) 0.1425542E-02 Ex_ueg -0.7745586E-03 Ec_ueg -0.1827069E-03 Delta_ex -0.1169559E-02 Delta_ec 0.6722180E-03 Delta_et -0.3850526E-02 Pxc 0.4239350E+01 Qxc -0.1739851E+01 3,+1 126 3 -1 0.442788 -1.716680 1.673917 Rho 0.4073489E-01 |GRAD(Rho)| 0.8468420E-16 GRAD(Rho)x -0.1458697E-17 GRAD(Rho)y -0.3155028E-16 GRAD(Rho)z -0.7857395E-16 Laplacian 0.1598339E+00 (-1/4)Del**2(Rho)) -0.3995847E-01 Diamond 0.6048572E-01 Metallicity 0.2079164E+01 Ellipticity 0.1764679E-01 Gb(Abramov) 0.4048567E-01 Vb(Abramov) -0.4101288E-01 Hb(Abramov) -0.5272094E-03 Ex_ueg -0.1035159E-01 Ec_ueg -0.1909528E-02 Delta_ex -0.1245215E-01 Delta_ec 0.4684841E-02 Delta_et -0.4677730E-01 Pxc 0.5421022E+01 Qxc -0.2657966E+01 3,-1 127 3 -1 0.801767 -1.976404 2.993778 Rho 0.1398825E+00 |GRAD(Rho)| 0.6232615E-13 GRAD(Rho)x -0.2585825E-13 GRAD(Rho)y -0.5039651E-13 GRAD(Rho)z 0.2600177E-13 Laplacian 0.5605095E+00 (-1/4)Del**2(Rho)) -0.1401274E+00 Diamond 0.1046795E+01 Metallicity 0.4634138E+01 Ellipticity 0.3022932E-01 Gb(Abramov) 0.2016465E+00 Vb(Abramov) -0.2631656E+00 Hb(Abramov) -0.6151913E-01 Ex_ueg -0.5362937E-01 Ec_ueg -0.7799025E-02 Delta_ex -0.5919901E-01 Delta_ec 0.1451297E-01 Delta_et -0.1913439E+00 Pxc 0.6876420E+01 Qxc -0.4079041E+01 3,-1 128 3 +1 1.669740 -0.543456 -0.560643 Rho 0.8052028E-02 |GRAD(Rho)| 0.1236255E-16 GRAD(Rho)x -0.9244125E-17 GRAD(Rho)y 0.7390152E-17 GRAD(Rho)z 0.3572734E-17 Laplacian 0.3316232E-01 (-1/4)Del**2(Rho)) -0.8290581E-02 Diamond 0.8588439E-03 Metallicity 0.6721667E+00 Ellipticity -0.1420993E+01 Gb(Abramov) 0.6455830E-02 Vb(Abramov) -0.4621078E-02 Hb(Abramov) 0.1834752E-02 Ex_ueg -0.1191952E-02 Ec_ueg -0.2805294E-03 Delta_ex -0.1513388E-02 Delta_ec 0.5083725E-03 Delta_et -0.3381696E-02 Pxc 0.4248938E+01 Qxc -0.2976928E+01 3,+1 129 3 -1 1.152094 -1.797293 -2.562030 Rho 0.3003944E+00 |GRAD(Rho)| 0.1768093E-11 GRAD(Rho)x -0.9122347E-12 GRAD(Rho)y 0.1489440E-11 GRAD(Rho)z 0.2748591E-12 Laplacian -0.1474520E+01 (-1/4)Del**2(Rho)) 0.3686300E+00 Diamond 0.4971657E+01 Metallicity -0.6296739E+01 Ellipticity 0.4142184E-02 Gb(Abramov) 0.1411078E+00 Vb(Abramov) -0.6508456E+00 Hb(Abramov) -0.5097378E+00 Ex_ueg -0.1485848E+00 Ec_ueg -0.1871398E-01 Delta_ex 0.1424574E+00 Delta_ec 0.5283213E-01 Delta_et -0.1217088E+01 Pxc 0.7939775E+01 Qxc 0.2696416E+01 3,-1 130 3 +3 1.771599 -1.834417 1.824816 Rho 0.1218373E-01 |GRAD(Rho)| 0.2122330E-16 GRAD(Rho)x -0.1449002E-16 GRAD(Rho)y 0.1541071E-16 GRAD(Rho)z 0.1725615E-17 Laplacian 0.5534290E-01 (-1/4)Del**2(Rho)) -0.1383573E-01 Diamond 0.1192591E-02 Metallicity 0.8032521E+00 Ellipticity -0.5664360E+00 Gb(Abramov) 0.1107608E-01 Vb(Abramov) -0.8316434E-02 Hb(Abramov) 0.2759646E-02 Ex_ueg -0.2070581E-02 Ec_ueg -0.4680574E-03 Delta_ex -0.2427792E-02 Delta_ec 0.1764993E-03 Delta_et -0.1741373E-02 Pxc 0.4423776E+01 Qxc -0.1375525E+02 3,+3 131 3 +1 1.181048 -1.141525 2.109079 Rho 0.2366407E-01 |GRAD(Rho)| 0.2665100E-16 GRAD(Rho)x -0.2518902E-16 GRAD(Rho)y -0.2497305E-17 GRAD(Rho)z -0.8339794E-17 Laplacian 0.9177940E-01 (-1/4)Del**2(Rho)) -0.2294485E-01 Diamond 0.1155740E-01 Metallicity 0.1464481E+01 Ellipticity -0.4363544E+01 Gb(Abramov) 0.2089695E-01 Vb(Abramov) -0.1884905E-01 Hb(Abramov) 0.2047902E-02 Ex_ueg -0.5017695E-02 Ec_ueg -0.1021690E-02 Delta_ex -0.5675171E-02 Delta_ec 0.1646624E-02 Delta_et -0.1431624E-01 Pxc 0.4911172E+01 Qxc -0.3446551E+01 3,+1 132 3 -1 1.923505 -0.631679 -2.843169 Rho 0.1494608E+00 |GRAD(Rho)| 0.9934882E-16 GRAD(Rho)x -0.8267042E-16 GRAD(Rho)y 0.3889575E-16 GRAD(Rho)z -0.3902450E-16 Laplacian 0.5649605E+00 (-1/4)Del**2(Rho)) -0.1412401E+00 Diamond 0.1150633E+01 Metallicity 0.5134211E+01 Ellipticity 0.1167616E+00 Gb(Abramov) 0.2150195E+00 Vb(Abramov) -0.2887989E+00 Hb(Abramov) -0.7377940E-01 Ex_ueg -0.5858071E-01 Ec_ueg -0.8409004E-02 Delta_ex -0.6072469E-01 Delta_ec 0.1453807E-01 Delta_et -0.1938714E+00 Pxc 0.6966427E+01 Qxc -0.4176941E+01 3,-1 133 3 +1 2.052644 -1.308641 1.062440 Rho 0.2422877E-01 |GRAD(Rho)| 0.1285354E-14 GRAD(Rho)x 0.7372865E-15 GRAD(Rho)y -0.9218079E-15 GRAD(Rho)z -0.5087380E-15 Laplacian 0.9536254E-01 (-1/4)Del**2(Rho)) -0.2384064E-01 Diamond 0.1252462E-01 Metallicity 0.1465956E+01 Ellipticity -0.4459210E+01 Gb(Abramov) 0.2171864E-01 Vb(Abramov) -0.1959665E-01 Hb(Abramov) 0.2121992E-02 Ex_ueg -0.5177977E-02 Ec_ueg -0.1049963E-02 Delta_ex -0.5947192E-02 Delta_ec 0.1735245E-02 Delta_et -0.1517041E-01 Pxc 0.4931582E+01 Qxc -0.3427291E+01 3,+1 134 3 -1 1.938615 -0.852836 2.993384 Rho 0.1447464E+00 |GRAD(Rho)| 0.3970861E-13 GRAD(Rho)x 0.2526446E-13 GRAD(Rho)y 0.2707518E-13 GRAD(Rho)z -0.1433231E-13 Laplacian 0.5753808E+00 (-1/4)Del**2(Rho)) -0.1438452E+00 Diamond 0.1122981E+01 Metallicity 0.4779004E+01 Ellipticity 0.2931557E-01 Gb(Abramov) 0.2104696E+00 Vb(Abramov) -0.2770940E+00 Hb(Abramov) -0.6662439E-01 Ex_ueg -0.5613004E-01 Ec_ueg -0.8108060E-02 Delta_ex -0.6131369E-01 Delta_ec 0.1483702E-01 Delta_et -0.1967504E+00 Pxc 0.6922746E+01 Qxc -0.4132480E+01 3,-1 135 3 -1 1.647643 -0.531625 1.673184 Rho 0.3570782E-01 |GRAD(Rho)| 0.1594531E-14 GRAD(Rho)x -0.1242455E-14 GRAD(Rho)y 0.9990000E-15 GRAD(Rho)z 0.2885301E-16 Laplacian 0.1374769E+00 (-1/4)Del**2(Rho)) -0.3436922E-01 Diamond 0.4278448E-01 Metallicity 0.1940837E+01 Ellipticity 0.3971708E-01 Gb(Abramov) 0.3403032E-01 Vb(Abramov) -0.3369142E-01 Hb(Abramov) 0.3388987E-03 Ex_ueg -0.8684326E-02 Ec_ueg -0.1641610E-02 Delta_ex -0.1031875E-01 Delta_ec 0.3947559E-02 Delta_et -0.3803456E-01 Pxc 0.5290128E+01 Qxc -0.2613957E+01 3,-1 136 3 +3 2.302456 -0.008671 0.015832 Rho 0.4188104E-02 |GRAD(Rho)| 0.2882871E-15 GRAD(Rho)x -0.1421710E-15 GRAD(Rho)y -0.1736427E-15 GRAD(Rho)z 0.1809561E-15 Laplacian 0.1730802E-01 (-1/4)Del**2(Rho)) -0.4327006E-02 Diamond 0.1324825E-03 Metallicity 0.4332395E+00 Ellipticity -0.3203449E+00 Gb(Abramov) 0.3197109E-02 Vb(Abramov) -0.2067212E-02 Hb(Abramov) 0.1129897E-02 Ex_ueg -0.4985878E-03 Ec_ueg -0.1121427E-03 Delta_ex -0.6136901E-03 Delta_ec 0.1552397E-03 Delta_et -0.9593768E-03 Pxc 0.4446013E+01 Qxc -0.3953178E+01 3,+3 137 3 -1 2.995028 0.820558 -1.991155 Rho 0.1227418E+00 |GRAD(Rho)| 0.4971616E-15 GRAD(Rho)x 0.1943602E-15 GRAD(Rho)y 0.3391655E-15 GRAD(Rho)z 0.3071816E-15 Laplacian 0.4936515E+00 (-1/4)Del**2(Rho)) -0.1234129E+00 Diamond 0.7805381E+00 Metallicity 0.4231689E+01 Ellipticity 0.2501466E-01 Gb(Abramov) 0.1693161E+00 Vb(Abramov) -0.2152193E+00 Hb(Abramov) -0.4590320E-01 Ex_ueg -0.4505143E-01 Ec_ueg -0.6722185E-02 Delta_ex -0.5042344E-01 Delta_ec 0.1301589E-01 Delta_et -0.1677253E+00 Pxc 0.6701903E+01 Qxc -0.3873992E+01 3,-1 138 3 +1 0.524989 0.494314 1.674703 Rho 0.8522699E-02 |GRAD(Rho)| 0.2409168E-13 GRAD(Rho)x -0.2255152E-13 GRAD(Rho)y -0.3018830E-14 GRAD(Rho)z -0.7919875E-14 Laplacian 0.3577245E-01 (-1/4)Del**2(Rho)) -0.8943113E-02 Diamond 0.9940869E-03 Metallicity 0.6850038E+00 Ellipticity -0.1416530E+01 Gb(Abramov) 0.6983086E-02 Vb(Abramov) -0.5023060E-02 Hb(Abramov) 0.1960026E-02 Ex_ueg -0.1285744E-02 Ec_ueg -0.3015228E-03 Delta_ex -0.1652603E-02 Delta_ec 0.5428479E-03 Delta_et -0.3669579E-02 Pxc 0.4264169E+01 Qxc -0.3044321E+01 3,+1 139 3 -1 2.989580 1.947590 -0.819613 Rho 0.1512058E+00 |GRAD(Rho)| 0.4543536E-15 GRAD(Rho)x -0.1905485E-15 GRAD(Rho)y 0.2536762E-15 GRAD(Rho)z 0.3252335E-15 Laplacian 0.6022089E+00 (-1/4)Del**2(Rho)) -0.1505522E+00 Diamond 0.1236554E+01 Metallicity 0.4910738E+01 Ellipticity 0.3809803E-01 Gb(Abramov) 0.2235886E+00 Vb(Abramov) -0.2966249E+00 Hb(Abramov) -0.7303635E-01 Ex_ueg -0.5949444E-01 Ec_ueg -0.8520748E-02 Delta_ex -0.6484226E-01 Delta_ec 0.1532621E-01 Delta_et -0.2044284E+00 Pxc 0.6982302E+01 Qxc -0.4230810E+01 3,-1 140 3 -1 -3.021892 -2.004279 -0.844245 Rho 0.1457198E+00 |GRAD(Rho)| 0.3900005E-15 GRAD(Rho)x -0.7867920E-16 GRAD(Rho)y 0.1252118E-15 GRAD(Rho)z -0.3608767E-15 Laplacian 0.5762968E+00 (-1/4)Del**2(Rho)) -0.1440742E+00 Diamond 0.1120390E+01 Metallicity 0.4825007E+01 Ellipticity 0.7186731E-01 Gb(Abramov) 0.2119093E+00 Vb(Abramov) -0.2797444E+00 Hb(Abramov) -0.6783510E-01 Ex_ueg -0.5663391E-01 Ec_ueg -0.8170086E-02 Delta_ex -0.6137251E-01 Delta_ec 0.1458723E-01 Delta_et -0.1930813E+00 Pxc 0.6931862E+01 Qxc -0.4207277E+01 3,-1 141 3 -1 -2.958144 -0.938194 -2.037457 Rho 0.1306751E+00 |GRAD(Rho)| 0.2558784E-15 GRAD(Rho)x 0.9513874E-16 GRAD(Rho)y 0.2265847E-15 GRAD(Rho)z -0.7128629E-16 Laplacian 0.5084549E+00 (-1/4)Del**2(Rho)) -0.1271137E+00 Diamond 0.8912256E+00 Metallicity 0.4560530E+01 Ellipticity 0.2581182E-01 Gb(Abramov) 0.1813601E+00 Vb(Abramov) -0.2356066E+00 Hb(Abramov) -0.5424642E-01 Ex_ueg -0.4897511E-01 Ec_ueg -0.7218171E-02 Delta_ex -0.5301710E-01 Delta_ec 0.1372993E-01 Delta_et -0.1797463E+00 Pxc 0.6784975E+01 Qxc -0.3861425E+01 3,-1 142 3 -1 -2.824058 -1.796447 0.593839 Rho 0.1270895E+00 |GRAD(Rho)| 0.9745846E-16 GRAD(Rho)x 0.8000057E-16 GRAD(Rho)y 0.1805197E-16 GRAD(Rho)z 0.5265157E-16 Laplacian 0.5273090E+00 (-1/4)Del**2(Rho)) -0.1318273E+00 Diamond 0.8664414E+00 Metallicity 0.4198208E+01 Ellipticity 0.1524904E-01 Gb(Abramov) 0.1801245E+00 Vb(Abramov) -0.2284218E+00 Hb(Abramov) -0.4829728E-01 Ex_ueg -0.4719158E-01 Ec_ueg -0.6993474E-02 Delta_ex -0.5427728E-01 Delta_ec 0.1372382E-01 Delta_et -0.1777562E+00 Pxc 0.6747945E+01 Qxc -0.3954969E+01 3,-1 143 3 -1 -2.058621 -0.906264 -3.211612 Rho 0.2346671E+00 |GRAD(Rho)| 0.5227807E-15 GRAD(Rho)x -0.2167862E-15 GRAD(Rho)y 0.3112744E-15 GRAD(Rho)z 0.3597383E-15 Laplacian 0.9024436E+00 (-1/4)Del**2(Rho)) -0.2256109E+00 Diamond 0.3065722E+01 Metallicity 0.6817317E+01 Ellipticity 0.1751469E-01 Gb(Abramov) 0.4067508E+00 Vb(Abramov) -0.5878906E+00 Hb(Abramov) -0.1811399E+00 Ex_ueg -0.1069025E+00 Ec_ueg -0.1407125E-01 Delta_ex -0.1081725E+00 Delta_ec 0.1966871E-01 Delta_et -0.2705046E+00 Pxc 0.7597234E+01 Qxc -0.5499725E+01 3,-1 144 3 -1 -1.702050 -0.542699 -1.744772 Rho 0.5029321E-01 |GRAD(Rho)| 0.1877839E-16 GRAD(Rho)x -0.5406611E-17 GRAD(Rho)y 0.1246028E-16 GRAD(Rho)z -0.1296680E-16 Laplacian 0.2029262E+00 (-1/4)Del**2(Rho)) -0.5073154E-01 Diamond 0.1058363E+00 Metallicity 0.2326970E+01 Ellipticity 0.1040687E-01 Gb(Abramov) 0.5349616E-01 Vb(Abramov) -0.5626077E-01 Hb(Abramov) -0.2764614E-02 Ex_ueg -0.1371085E-01 Ec_ueg -0.2431088E-02 Delta_ex -0.1681977E-01 Delta_ec 0.6210028E-02 Delta_et -0.6563097E-01 Pxc 0.5639798E+01 Qxc -0.2708485E+01 3,-1 145 3 -1 -1.824081 -0.570782 2.838127 Rho 0.1442437E+00 |GRAD(Rho)| 0.8780946E-16 GRAD(Rho)x -0.1760473E-16 GRAD(Rho)y -0.5940073E-16 GRAD(Rho)z 0.6222643E-16 Laplacian 0.6083732E+00 (-1/4)Del**2(Rho)) -0.1520933E+00 Diamond 0.1157459E+01 Metallicity 0.4493704E+01 Ellipticity 0.2768176E-01 Gb(Abramov) 0.2153059E+00 Vb(Abramov) -0.2785185E+00 Hb(Abramov) -0.6321261E-01 Ex_ueg -0.5587028E-01 Ec_ueg -0.8076052E-02 Delta_ex -0.6451240E-01 Delta_ec 0.1523343E-01 Delta_et -0.2008923E+00 Pxc 0.6918019E+01 Qxc -0.4234924E+01 3,-1 146 3 +3 -2.394967 0.010007 0.058483 Rho 0.4707026E-02 |GRAD(Rho)| 0.5949696E-17 GRAD(Rho)x 0.3847988E-17 GRAD(Rho)y 0.1947448E-17 GRAD(Rho)z -0.4098697E-17 Laplacian 0.1960723E-01 (-1/4)Del**2(Rho)) -0.4901807E-02 Diamond 0.1965280E-03 Metallicity 0.4646308E+00 Ellipticity -0.4465878E+00 Gb(Abramov) 0.3647460E-02 Vb(Abramov) -0.2393112E-02 Hb(Abramov) 0.1254347E-02 Ex_ueg -0.5826135E-03 Ec_ueg -0.1343268E-03 Delta_ex -0.7370972E-03 Delta_ec 0.2129924E-03 Delta_et -0.1300451E-02 Pxc 0.4337284E+01 Qxc -0.3460674E+01 3,+3 147 3 +3 1.099577 1.075760 1.083477 Rho 0.4729479E-02 |GRAD(Rho)| 0.1879730E-15 GRAD(Rho)x 0.1203557E-15 GRAD(Rho)y 0.1247279E-15 GRAD(Rho)z 0.7274140E-16 Laplacian 0.1952540E-01 (-1/4)Del**2(Rho)) -0.4881349E-02 Diamond 0.1378449E-03 Metallicity 0.4702934E+00 Ellipticity -0.1424461E+00 Gb(Abramov) 0.3636844E-02 Vb(Abramov) -0.2392338E-02 Hb(Abramov) 0.1244505E-02 Ex_ueg -0.5863220E-03 Ec_ueg -0.1352898E-03 Delta_ex -0.6757620E-03 Delta_ec 0.1065277E-03 Delta_et -0.7756377E-03 Pxc 0.4333822E+01 Qxc -0.6343531E+01 3,+3 148 3 -1 -0.590174 1.805990 -2.751927 Rho 0.1443652E+00 |GRAD(Rho)| 0.1666750E-11 GRAD(Rho)x 0.1358967E-11 GRAD(Rho)y 0.5576040E-13 GRAD(Rho)z 0.9634089E-12 Laplacian 0.6198120E+00 (-1/4)Del**2(Rho)) -0.1549530E+00 Diamond 0.1179316E+01 Metallicity 0.4416967E+01 Ellipticity 0.2744240E-01 Gb(Abramov) 0.2173724E+00 Vb(Abramov) -0.2797918E+00 Hb(Abramov) -0.6241940E-01 Ex_ueg -0.5593306E-01 Ec_ueg -0.8083789E-02 Delta_ex -0.6572746E-01 Delta_ec 0.1549602E-01 Delta_et -0.2043336E+00 Pxc 0.6919163E+01 Qxc -0.4241569E+01 3,-1 149 3 -1 -0.500293 1.693817 1.690097 Rho 0.4364813E-01 |GRAD(Rho)| 0.1675262E-14 GRAD(Rho)x 0.4777179E-15 GRAD(Rho)y 0.1182128E-14 GRAD(Rho)z 0.1086675E-14 Laplacian 0.1736743E+00 (-1/4)Del**2(Rho)) -0.4341857E-01 Diamond 0.7257589E-01 Metallicity 0.2146942E+01 Ellipticity 0.2237493E-01 Gb(Abramov) 0.4448191E-01 Vb(Abramov) -0.4554524E-01 Hb(Abramov) -0.1063336E-02 Ex_ueg -0.1135026E-01 Ec_ueg -0.2066897E-02 Delta_ex -0.1378530E-01 Delta_ec 0.5123063E-02 Delta_et -0.5210957E-01 Pxc 0.5491450E+01 Qxc -0.2690832E+01 3,-1 150 3 -1 -0.847471 1.988798 2.990150 Rho 0.1437901E+00 |GRAD(Rho)| 0.5687916E-15 GRAD(Rho)x -0.5563312E-15 GRAD(Rho)y 0.5609391E-16 GRAD(Rho)z 0.1042731E-15 Laplacian 0.5692891E+00 (-1/4)Del**2(Rho)) -0.1423223E+00 Diamond 0.1102408E+01 Metallicity 0.4777075E+01 Ellipticity 0.3689975E-01 Gb(Abramov) 0.2081956E+00 Vb(Abramov) -0.2740689E+00 Hb(Abramov) -0.6587329E-01 Ex_ueg -0.5563616E-01 Ec_ueg -0.8047186E-02 Delta_ex -0.6056780E-01 Delta_ec 0.1470618E-01 Delta_et -0.1948301E+00 Pxc 0.6913742E+01 Qxc -0.4118526E+01 3,-1 151 3 -1 -0.594155 2.798323 -1.773841 Rho 0.1482501E+00 |GRAD(Rho)| 0.1525163E-13 GRAD(Rho)x -0.1495748E-13 GRAD(Rho)y -0.2876612E-14 GRAD(Rho)z 0.7818724E-15 Laplacian 0.6163828E+00 (-1/4)Del**2(Rho)) -0.1540957E+00 Diamond 0.1210470E+01 Metallicity 0.4642527E+01 Ellipticity 0.2696971E-01 Gb(Abramov) 0.2219627E+00 Vb(Abramov) -0.2898297E+00 Hb(Abramov) -0.6786700E-01 Ex_ueg -0.5794889E-01 Ec_ueg -0.8331591E-02 Delta_ex -0.6578920E-01 Delta_ec 0.1530258E-01 Delta_et -0.2025066E+00 Pxc 0.6955321E+01 Qxc -0.4299223E+01 3,-1 152 3 -1 -0.845107 2.976307 1.974099 Rho 0.1539890E+00 |GRAD(Rho)| 0.1258428E-11 GRAD(Rho)x -0.9082751E-12 GRAD(Rho)y 0.5320963E-12 GRAD(Rho)z -0.6896012E-12 Laplacian 0.6087134E+00 (-1/4)Del**2(Rho)) -0.1521783E+00 Diamond 0.1274707E+01 Metallicity 0.5008217E+01 Ellipticity 0.4095517E-01 Gb(Abramov) 0.2284759E+00 Vb(Abramov) -0.3047735E+00 Hb(Abramov) -0.7629759E-01 Ex_ueg -0.6095902E-01 Ec_ueg -0.8699355E-02 Delta_ex -0.6580975E-01 Delta_ec 0.1537196E-01 Delta_et -0.2054350E+00 Pxc 0.7007304E+01 Qxc -0.4281156E+01 3,-1 153 3 -1 0.304643 0.349024 -0.381150 Rho 0.2000768E+00 |GRAD(Rho)| 0.6002339E-14 GRAD(Rho)x -0.1936908E-14 GRAD(Rho)y -0.4459802E-14 GRAD(Rho)z 0.3519464E-14 Laplacian 0.6930867E+00 (-1/4)Del**2(Rho)) -0.1732717E+00 Diamond 0.2200721E+01 Metallicity 0.6804873E+01 Ellipticity 0.5436908E-02 Gb(Abramov) 0.3120297E+00 Vb(Abramov) -0.4507878E+00 Hb(Abramov) -0.1387581E+00 Ex_ueg -0.8642656E-01 Ec_ueg -0.1172315E-01 Delta_ex -0.8146174E-01 Delta_ec 0.1892633E-01 Delta_et -0.2692107E+00 Pxc 0.7372297E+01 Qxc -0.4304150E+01 3,-1 154 3 -1 0.831259 2.946516 -1.965112 Rho 0.1295000E+00 |GRAD(Rho)| 0.3983725E-14 GRAD(Rho)x -0.2039520E-15 GRAD(Rho)y -0.3623553E-14 GRAD(Rho)z 0.1642661E-14 Laplacian 0.5148742E+00 (-1/4)Del**2(Rho)) -0.1287185E+00 Diamond 0.8673478E+00 Metallicity 0.4436377E+01 Ellipticity 0.4785439E-01 Gb(Abramov) 0.1809864E+00 Vb(Abramov) -0.2332542E+00 Hb(Abramov) -0.5226781E-01 Ex_ueg -0.4838880E-01 Ec_ueg -0.7144440E-02 Delta_ex -0.5326276E-01 Delta_ec 0.1338368E-01 Delta_et -0.1739587E+00 Pxc 0.6772931E+01 Qxc -0.3979679E+01 3,-1 155 3 -1 1.792040 0.548057 2.766106 Rho 0.1340072E+00 |GRAD(Rho)| 0.1305821E-15 GRAD(Rho)x -0.3953272E-16 GRAD(Rho)y -0.3511460E-16 GRAD(Rho)z 0.1193978E-15 Laplacian 0.5640296E+00 (-1/4)Del**2(Rho)) -0.1410074E+00 Diamond 0.1000224E+01 Metallicity 0.4287375E+01 Ellipticity 0.1112285E-01 Gb(Abramov) 0.1947635E+00 Vb(Abramov) -0.2485197E+00 Hb(Abramov) -0.5375614E-01 Ex_ueg -0.5064725E-01 Ec_ueg -0.7427745E-02 Delta_ex -0.5895122E-01 Delta_ec 0.1475187E-01 Delta_et -0.1931961E+00 Pxc 0.6818658E+01 Qxc -0.3996186E+01 3,-1 156 3 -1 2.007292 0.822734 -3.004605 Rho 0.1521959E+00 |GRAD(Rho)| 0.2977126E-15 GRAD(Rho)x 0.2214347E-15 GRAD(Rho)y -0.1660320E-15 GRAD(Rho)z 0.1096942E-15 Laplacian 0.5994175E+00 (-1/4)Del**2(Rho)) -0.1498544E+00 Diamond 0.1226726E+01 Metallicity 0.4987569E+01 Ellipticity 0.6325049E-01 Gb(Abramov) 0.2244711E+00 Vb(Abramov) -0.2990878E+00 Hb(Abramov) -0.7461671E-01 Ex_ueg -0.6001445E-01 Ec_ueg -0.8584234E-02 Delta_ex -0.6451071E-01 Delta_ec 0.1498999E-01 Delta_et -0.1995609E+00 Pxc 0.6991241E+01 Qxc -0.4303586E+01 3,-1 157 3 -1 3.203144 3.167704 0.070100 Rho 0.2456269E+00 |GRAD(Rho)| 0.5873619E-15 GRAD(Rho)x 0.3926980E-15 GRAD(Rho)y 0.4106958E-15 GRAD(Rho)z 0.1486983E-15 Laplacian 0.8896309E+00 (-1/4)Del**2(Rho)) -0.2224077E+00 Diamond 0.3235086E+01 Metallicity 0.7462137E+01 Ellipticity 0.1495065E-02 Gb(Abramov) 0.4248780E+00 Vb(Abramov) -0.6273482E+00 Hb(Abramov) -0.2024702E+00 Ex_ueg -0.1136108E+00 Ec_ueg -0.1482895E-01 Delta_ex -0.1081374E+00 Delta_ec 0.1951466E-01 Delta_et -0.2704932E+00 Pxc 0.7661418E+01 Qxc -0.5541343E+01 3,-1 158 3 -1 -1.889884 -2.763096 0.623172 Rho 0.1175946E+00 |GRAD(Rho)| 0.3719490E-15 GRAD(Rho)x 0.2141028E-15 GRAD(Rho)y -0.1272921E-16 GRAD(Rho)z 0.3038815E-15 Laplacian 0.4901123E+00 (-1/4)Del**2(Rho)) -0.1225281E+00 Diamond 0.7394158E+00 Metallicity 0.3968529E+01 Ellipticity 0.1676047E-01 Gb(Abramov) 0.1627281E+00 Vb(Abramov) -0.2029281E+00 Hb(Abramov) -0.4020002E-01 Ex_ueg -0.4255018E-01 Ec_ueg -0.6402678E-02 Delta_ex -0.4959846E-01 Delta_ec 0.1313634E-01 Delta_et -0.1681680E+00 Pxc 0.6645684E+01 Qxc -0.3775667E+01 3,-1 159 3 -1 0.012726 -3.249802 -1.224059 Rho 0.4172703E-01 |GRAD(Rho)| 0.6341399E-16 GRAD(Rho)x 0.5540513E-16 GRAD(Rho)y 0.2725012E-16 GRAD(Rho)z -0.1445807E-16 Laplacian 0.1177201E+00 (-1/4)Del**2(Rho)) -0.2943003E-01 Diamond 0.7545557E-01 Metallicity 0.2938494E+01 Ellipticity 0.4246158E-02 Gb(Abramov) 0.3403335E-01 Vb(Abramov) -0.3863667E-01 Hb(Abramov) -0.4603320E-02 Ex_ueg -0.1068911E-01 Ec_ueg -0.1962956E-02 Delta_ex -0.1084045E-01 Delta_ec 0.6331718E-02 Delta_et -0.6405118E-01 Pxc 0.5445418E+01 Qxc -0.1712087E+01 3,-1 160 3 -1 -0.765328 -3.400974 -1.252120 Rho 0.3072779E+00 |GRAD(Rho)| 0.4408392E-14 GRAD(Rho)x 0.8210540E-15 GRAD(Rho)y -0.3872066E-14 GRAD(Rho)z -0.1940849E-14 Laplacian -0.1571959E+01 (-1/4)Del**2(Rho)) 0.3929898E+00 Diamond 0.5295551E+01 Metallicity -0.6133723E+01 Ellipticity 0.2437620E-02 Gb(Abramov) 0.1397552E+00 Vb(Abramov) -0.6725002E+00 Hb(Abramov) -0.5327450E+00 Ex_ueg -0.1531417E+00 Ec_ueg -0.1921396E-01 Delta_ex 0.1538212E+00 Delta_ec 0.5528063E-01 Delta_et -0.1288975E+01 Pxc 0.7970334E+01 Qxc 0.2782552E+01 3,-1 161 3 -1 -0.411701 0.361318 0.354536 Rho 0.1957555E+00 |GRAD(Rho)| 0.9079805E-16 GRAD(Rho)x 0.8575144E-16 GRAD(Rho)y -0.2617330E-16 GRAD(Rho)z -0.1435040E-16 Laplacian 0.6566401E+00 (-1/4)Del**2(Rho)) -0.1641600E+00 Diamond 0.2036152E+01 Metallicity 0.6925891E+01 Ellipticity 0.5801771E-02 Gb(Abramov) 0.2989324E+00 Vb(Abramov) -0.4337049E+00 Hb(Abramov) -0.1347724E+00 Ex_ueg -0.8394671E-01 Ec_ueg -0.1143448E-01 Delta_ex -0.7679762E-01 Delta_ec 0.1809453E-01 Delta_et -0.2568319E+00 Pxc 0.7341544E+01 Qxc -0.4244246E+01 3,-1 162 3 +1 1.276113 1.061080 -2.115244 Rho 0.2328536E-01 |GRAD(Rho)| 0.1957178E-15 GRAD(Rho)x 0.1440033E-15 GRAD(Rho)y -0.6922440E-16 GRAD(Rho)z -0.1130332E-15 Laplacian 0.9344111E-01 (-1/4)Del**2(Rho)) -0.2336028E-01 Diamond 0.1264242E-01 Metallicity 0.1400275E+01 Ellipticity -0.9045908E+01 Gb(Abramov) 0.2102532E-01 Vb(Abramov) -0.1869037E-01 Hb(Abramov) 0.2334956E-02 Ex_ueg -0.4910914E-02 Ec_ueg -0.1002778E-02 Delta_ex -0.5888771E-02 Delta_ec 0.1918128E-02 Delta_et -0.1654521E-01 Pxc 0.4897308E+01 Qxc -0.3070061E+01 3,+1 163 3 -1 1.671429 1.664433 -0.483476 Rho 0.3850019E-01 |GRAD(Rho)| 0.1893715E-16 GRAD(Rho)x 0.9344891E-17 GRAD(Rho)y -0.7080137E-17 GRAD(Rho)z -0.1487146E-16 Laplacian 0.1490770E+00 (-1/4)Del**2(Rho)) -0.3726925E-01 Diamond 0.5202808E-01 Metallicity 0.2029118E+01 Ellipticity 0.1152660E-01 Gb(Abramov) 0.3745011E-01 Vb(Abramov) -0.3763098E-01 Hb(Abramov) -0.1808679E-03 Ex_ueg -0.9601421E-02 Ec_ueg -0.1789839E-02 Delta_ex -0.1143903E-01 Delta_ec 0.4347199E-02 Delta_et -0.4275053E-01 Pxc 0.5364405E+01 Qxc -0.2631356E+01 3,-1 164 3 -1 1.996653 2.941865 -0.843930 Rho 0.1429997E+00 |GRAD(Rho)| 0.4515141E-13 GRAD(Rho)x 0.2693848E-13 GRAD(Rho)y -0.1599452E-13 GRAD(Rho)z 0.3251375E-13 Laplacian 0.5666387E+00 (-1/4)Del**2(Rho)) -0.1416597E+00 Diamond 0.1091188E+01 Metallicity 0.4755527E+01 Ellipticity 0.3175641E-01 Gb(Abramov) 0.2067175E+00 Vb(Abramov) -0.2717754E+00 Hb(Abramov) -0.6505783E-01 Ex_ueg -0.5522873E-01 Ec_ueg -0.7996908E-02 Delta_ex -0.6021705E-01 Delta_ec 0.1467932E-01 Delta_et -0.1943618E+00 Pxc 0.6906261E+01 Qxc -0.4102168E+01 3,-1 165 3 -1 1.808910 2.768059 0.569961 Rho 0.1443927E+00 |GRAD(Rho)| 0.1455042E-15 GRAD(Rho)x 0.1399569E-15 GRAD(Rho)y 0.3345441E-16 GRAD(Rho)z 0.2154852E-16 Laplacian 0.6090819E+00 (-1/4)Del**2(Rho)) -0.1522705E+00 Diamond 0.1179974E+01 Metallicity 0.4496206E+01 Ellipticity 0.1120438E-01 Gb(Abramov) 0.2156202E+00 Vb(Abramov) -0.2789699E+00 Hb(Abramov) -0.6334974E-01 Ex_ueg -0.5594724E-01 Ec_ueg -0.8085537E-02 Delta_ex -0.6481070E-01 Delta_ec 0.1561643E-01 Delta_et -0.2067970E+00 Pxc 0.6919422E+01 Qxc -0.4150162E+01 3,-1 166 3 -1 -3.290859 -3.142156 0.088400 Rho 0.2351469E+00 |GRAD(Rho)| 0.4983415E-15 GRAD(Rho)x 0.3366448E-15 GRAD(Rho)y 0.3569736E-15 GRAD(Rho)z -0.8708854E-16 Laplacian 0.8487736E+00 (-1/4)Del**2(Rho)) -0.2121934E+00 Diamond 0.2939136E+01 Metallicity 0.7273106E+01 Ellipticity 0.1763193E-02 Gb(Abramov) 0.3986798E+00 Vb(Abramov) -0.5851662E+00 Hb(Abramov) -0.1864864E+00 Ex_ueg -0.1071940E+00 Ec_ueg -0.1410427E-01 Delta_ex -0.1020597E+00 Delta_ec 0.1896282E-01 Delta_et -0.2628982E+00 Pxc 0.7600110E+01 Qxc -0.5382094E+01 3,-1 167 3 -1 -1.828948 2.777958 -0.552982 Rho 0.1247106E+00 |GRAD(Rho)| 0.1966019E-09 GRAD(Rho)x 0.1434535E-09 GRAD(Rho)y 0.5520833E-10 GRAD(Rho)z -0.1225783E-09 Laplacian 0.5166647E+00 (-1/4)Del**2(Rho)) -0.1291662E+00 Diamond 0.8467499E+00 Metallicity 0.4151865E+01 Ellipticity 0.1191559E-01 Gb(Abramov) 0.1754909E+00 Vb(Abramov) -0.2218155E+00 Hb(Abramov) -0.4632469E-01 Ex_ueg -0.4601747E-01 Ec_ueg -0.6844873E-02 Delta_ex -0.5315502E-01 Delta_ec 0.1389106E-01 Delta_et -0.1800457E+00 Pxc 0.6722911E+01 Qxc -0.3826564E+01 3,-1 168 3 -1 -1.997081 2.945096 0.845239 Rho 0.1222396E+00 |GRAD(Rho)| 0.4922738E-13 GRAD(Rho)x 0.3988947E-13 GRAD(Rho)y -0.1934801E-13 GRAD(Rho)z 0.2139672E-13 Laplacian 0.4896820E+00 (-1/4)Del**2(Rho)) -0.1224205E+00 Diamond 0.7761304E+00 Metallicity 0.4236940E+01 Ellipticity 0.1416783E-01 Gb(Abramov) 0.1680617E+00 Vb(Abramov) -0.2137029E+00 Hb(Abramov) -0.4564122E-01 Ex_ueg -0.4480581E-01 Ec_ueg -0.6690929E-02 Delta_ex -0.5004312E-01 Delta_ec 0.1305633E-01 Delta_et -0.1683567E+00 Pxc 0.6696501E+01 Qxc -0.3832862E+01 3,-1 169 3 -1 2.753126 -1.813626 -0.623695 Rho 0.1536676E+00 |GRAD(Rho)| 0.3263804E-15 GRAD(Rho)x -0.2652230E-16 GRAD(Rho)y -0.2899428E-15 GRAD(Rho)z 0.1474922E-15 Laplacian 0.6315359E+00 (-1/4)Del**2(Rho)) -0.1578840E+00 Diamond 0.1318488E+01 Metallicity 0.4810450E+01 Ellipticity 0.1684853E-01 Gb(Abramov) 0.2318381E+00 Vb(Abramov) -0.3057923E+00 Hb(Abramov) -0.7395417E-01 Ex_ueg -0.6078945E-01 Ec_ueg -0.8678706E-02 Delta_ex -0.6823527E-01 Delta_ec 0.1594463E-01 Delta_et -0.2129995E+00 Pxc 0.7004437E+01 Qxc -0.4279515E+01 3,-1 170 3 -1 3.251842 -0.014976 -3.229939 Rho 0.2336054E+00 |GRAD(Rho)| 0.6805526E-15 GRAD(Rho)x 0.5114182E-15 GRAD(Rho)y -0.1186930E-15 GRAD(Rho)z -0.4330303E-15 Laplacian 0.8259606E+00 (-1/4)Del**2(Rho)) -0.2064901E+00 Diamond 0.2850267E+01 Metallicity 0.7392512E+01 Ellipticity 0.1524701E-02 Gb(Abramov) 0.3920736E+00 Vb(Abramov) -0.5776570E+00 Hb(Abramov) -0.1855834E+00 Ex_ueg -0.1062582E+00 Ec_ueg -0.1399819E-01 Delta_ex -0.9921663E-01 Delta_ec 0.1861354E-01 Delta_et -0.2585135E+00 Pxc 0.7590847E+01 Qxc -0.5330348E+01 3,-1 171 3 -1 3.180730 0.017064 3.202944 Rho 0.2453627E+00 |GRAD(Rho)| 0.3090701E-15 GRAD(Rho)x 0.2251888E-15 GRAD(Rho)y 0.8505566E-16 GRAD(Rho)z 0.1938553E-15 Laplacian 0.8836149E+00 (-1/4)Del**2(Rho)) -0.2209037E+00 Diamond 0.3211972E+01 Metallicity 0.7499481E+01 Ellipticity 0.4630180E-02 Gb(Abramov) 0.4233797E+00 Vb(Abramov) -0.6258556E+00 Hb(Abramov) -0.2024759E+00 Ex_ueg -0.1134479E+00 Ec_ueg -0.1481061E-01 Delta_ex -0.1073910E+00 Delta_ec 0.1941592E-01 Delta_et -0.2692390E+00 Pxc 0.7659908E+01 Qxc -0.5531080E+01 3,-1 172 3 +1 -1.328292 1.061157 2.143523 Rho 0.2420947E-01 |GRAD(Rho)| 0.2551363E-13 GRAD(Rho)x -0.1869841E-13 GRAD(Rho)y -0.1077858E-13 GRAD(Rho)z 0.1360650E-13 Laplacian 0.9491712E-01 (-1/4)Del**2(Rho)) -0.2372928E-01 Diamond 0.1188139E-01 Metallicity 0.1470881E+01 Ellipticity -0.3446247E+01 Gb(Abramov) 0.2163668E-01 Vb(Abramov) -0.1954407E-01 Hb(Abramov) 0.2092602E-02 Ex_ueg -0.5172480E-02 Ec_ueg -0.1048995E-02 Delta_ex -0.5853431E-02 Delta_ec 0.1611555E-02 Delta_et -0.1411363E-01 Pxc 0.4930890E+01 Qxc -0.3632164E+01 3,+1 173 3 -1 -2.792692 -0.558943 1.859804 Rho 0.1362457E+00 |GRAD(Rho)| 0.1325776E-13 GRAD(Rho)x 0.1730288E-14 GRAD(Rho)y 0.8251253E-14 GRAD(Rho)z 0.1023187E-13 Laplacian 0.5643841E+00 (-1/4)Del**2(Rho)) -0.1410960E+00 Diamond 0.1006509E+01 Metallicity 0.4404632E+01 Ellipticity 0.1322438E-01 Gb(Abramov) 0.1976434E+00 Vb(Abramov) -0.2541907E+00 Hb(Abramov) -0.5654733E-01 Ex_ueg -0.5177841E-01 Ec_ueg -0.7568941E-02 Delta_ex -0.5906167E-01 Delta_ec 0.1440991E-01 Delta_et -0.1886254E+00 Pxc 0.6840906E+01 Qxc -0.4098685E+01 3,-1 174 3 -1 -3.194681 0.033979 -3.188561 Rho 0.2358244E+00 |GRAD(Rho)| 0.4534563E-12 GRAD(Rho)x 0.3440180E-12 GRAD(Rho)y -0.1332691E-12 GRAD(Rho)z 0.2636543E-12 Laplacian 0.8725663E+00 (-1/4)Del**2(Rho)) -0.2181416E+00 Diamond 0.3014975E+01 Metallicity 0.7108795E+01 Ellipticity 0.2204152E-01 Gb(Abramov) 0.4038817E+00 Vb(Abramov) -0.5896218E+00 Hb(Abramov) -0.1857401E+00 Ex_ueg -0.1076061E+00 Ec_ueg -0.1415094E-01 Delta_ex -0.1049064E+00 Delta_ec 0.1931227E-01 Delta_et -0.2670631E+00 Pxc 0.7604161E+01 Qxc -0.5432113E+01 3,-1 175 3 -1 -0.071042 -3.214414 3.209508 Rho 0.2453767E+00 |GRAD(Rho)| 0.1993937E-13 GRAD(Rho)x 0.1325096E-13 GRAD(Rho)y -0.1033895E-14 GRAD(Rho)z -0.1486344E-13 Laplacian 0.8912982E+00 (-1/4)Del**2(Rho)) -0.2228245E+00 Diamond 0.3234077E+01 Metallicity 0.7435537E+01 Ellipticity 0.2210214E-02 Gb(Abramov) 0.4246864E+00 Vb(Abramov) -0.6265483E+00 Hb(Abramov) -0.2018619E+00 Ex_ueg -0.1134565E+00 Ec_ueg -0.1481158E-01 Delta_ex -0.1082952E+00 Delta_ec 0.1952863E-01 Delta_et -0.2705493E+00 Pxc 0.7659988E+01 Qxc -0.5545457E+01 3,-1 176 3 -1 2.937611 -0.871502 1.984935 Rho 0.1704827E+00 |GRAD(Rho)| 0.1468372E-15 GRAD(Rho)x -0.1631724E-16 GRAD(Rho)y 0.1656119E-16 GRAD(Rho)z 0.1449849E-15 Laplacian 0.6738383E+00 (-1/4)Del**2(Rho)) -0.1684596E+00 Diamond 0.1587647E+01 Metallicity 0.5360329E+01 Ellipticity 0.5011445E-01 Gb(Abramov) 0.2628062E+00 Vb(Abramov) -0.3571528E+00 Hb(Abramov) -0.9434661E-01 Ex_ueg -0.6981664E-01 Ec_ueg -0.9767352E-02 Delta_ex -0.7465649E-01 Delta_ec 0.1647946E-01 Delta_et -0.2227898E+00 Pxc 0.7147960E+01 Qxc -0.4530276E+01 3,-1 177 3 -1 -3.191142 -0.061881 3.249455 Rho 0.2348587E+00 |GRAD(Rho)| 0.1453121E-12 GRAD(Rho)x 0.1004778E-12 GRAD(Rho)y 0.2649524E-13 GRAD(Rho)z -0.1015767E-12 Laplacian 0.8372316E+00 (-1/4)Del**2(Rho)) -0.2093079E+00 Diamond 0.2903559E+01 Metallicity 0.7358322E+01 Ellipticity 0.2406380E-03 Gb(Abramov) 0.3962311E+00 Vb(Abramov) -0.5831543E+00 Hb(Abramov) -0.1869232E+00 Ex_ueg -0.1070190E+00 Ec_ueg -0.1408444E-01 Delta_ex -0.1006872E+00 Delta_ec 0.1879643E-01 Delta_et -0.2609402E+00 Pxc 0.7598383E+01 Qxc -0.5356717E+01 3,-1 178 3 -1 2.776424 0.550564 1.820096 Rho 0.1386850E+00 |GRAD(Rho)| 0.1772998E-15 GRAD(Rho)x -0.8186404E-16 GRAD(Rho)y 0.1466383E-15 GRAD(Rho)z 0.5683930E-16 Laplacian 0.5832872E+00 (-1/4)Del**2(Rho)) -0.1458218E+00 Diamond 0.1082835E+01 Metallicity 0.4389817E+01 Ellipticity 0.1224565E-01 Gb(Abramov) 0.2039030E+00 Vb(Abramov) -0.2619843E+00 Hb(Abramov) -0.5808123E-01 Ex_ueg -0.5301811E-01 Ec_ueg -0.7723172E-02 Delta_ex -0.6152794E-01 Delta_ec 0.1522699E-01 Delta_et -0.2006851E+00 Pxc 0.6864811E+01 Qxc -0.4040716E+01 3,-1 179 3 -1 0.288735 -0.387339 0.334226 Rho 0.1967767E+00 |GRAD(Rho)| 0.2376807E-15 GRAD(Rho)x 0.1179167E-15 GRAD(Rho)y -0.1934372E-15 GRAD(Rho)z 0.7190148E-16 Laplacian 0.6597671E+00 (-1/4)Del**2(Rho)) -0.1649418E+00 Diamond 0.2065081E+01 Metallicity 0.6953105E+01 Ellipticity 0.2420848E-02 Gb(Abramov) 0.3011041E+00 Vb(Abramov) -0.4372664E+00 Hb(Abramov) -0.1361623E+00 Ex_ueg -0.8453114E-01 Ec_ueg -0.1150260E-01 Delta_ex -0.7730709E-01 Delta_ec 0.1823619E-01 Delta_et -0.2592509E+00 Pxc 0.7348870E+01 Qxc -0.4239214E+01 3,-1 180 3 -1 3.114280 -3.223010 -0.136765 Rho 0.2402351E+00 |GRAD(Rho)| 0.1563660E-13 GRAD(Rho)x 0.5562716E-14 GRAD(Rho)y -0.1442596E-13 GRAD(Rho)z 0.2334789E-14 Laplacian 0.8746357E+00 (-1/4)Del**2(Rho)) -0.2186589E+00 Diamond 0.3095115E+01 Metallicity 0.7314424E+01 Ellipticity 0.8767125E-02 Gb(Abramov) 0.4123333E+00 Vb(Abramov) -0.6060076E+00 Hb(Abramov) -0.1936744E+00 Ex_ueg -0.1102978E+00 Ec_ueg -0.1445537E-01 Delta_ex -0.1056909E+00 Delta_ec 0.1929809E-01 Delta_et -0.2672426E+00 Pxc 0.7630235E+01 Qxc -0.5476753E+01 3,-1 181 3 -1 -2.733685 0.495389 -1.837567 Rho 0.7747563E-01 |GRAD(Rho)| 0.8226031E-12 GRAD(Rho)x -0.4167363E-12 GRAD(Rho)y 0.6597397E-12 GRAD(Rho)z 0.2602885E-12 Laplacian 0.3270776E+00 (-1/4)Del**2(Rho)) -0.8176939E-01 Diamond 0.2995400E+00 Metallicity 0.2966454E+01 Ellipticity 0.7288377E-02 Gb(Abramov) 0.9494045E-01 Vb(Abramov) -0.1081115E+00 Hb(Abramov) -0.1317105E-01 Ex_ueg -0.2439337E-01 Ec_ueg -0.3982200E-02 Delta_ex -0.3008480E-01 Delta_ec 0.9661444E-02 Delta_et -0.1136847E+00 Pxc 0.6125603E+01 Qxc -0.3113904E+01 3,-1 182 3 -1 -1.769593 0.497753 -2.829161 Rho 0.1315745E+00 |GRAD(Rho)| 0.4215075E-13 GRAD(Rho)x -0.3840592E-13 GRAD(Rho)y -0.2570914E-15 GRAD(Rho)z -0.1736678E-13 Laplacian 0.5474850E+00 (-1/4)Del**2(Rho)) -0.1368713E+00 Diamond 0.9637689E+00 Metallicity 0.4284107E+01 Ellipticity 0.1499420E-01 Gb(Abramov) 0.1889760E+00 Vb(Abramov) -0.2410808E+00 Hb(Abramov) -0.5210476E-01 Ex_ueg -0.4942506E-01 Ec_ueg -0.7274666E-02 Delta_ex -0.5713559E-01 Delta_ec 0.1467921E-01 Delta_et -0.1922452E+00 Pxc 0.6794135E+01 Qxc -0.3892279E+01 3,-1 183 3 -1 -1.702374 0.493793 1.731280 Rho 0.3609479E-01 |GRAD(Rho)| 0.5462329E-16 GRAD(Rho)x -0.3401430E-16 GRAD(Rho)y -0.2305205E-16 GRAD(Rho)z 0.3599075E-16 Laplacian 0.1465656E+00 (-1/4)Del**2(Rho)) -0.3664139E-01 Diamond 0.4860658E-01 Metallicity 0.1853484E+01 Ellipticity 0.1027451E-01 Gb(Abramov) 0.3574663E-01 Vb(Abramov) -0.3485187E-01 Hb(Abramov) 0.8947609E-03 Ex_ueg -0.8810037E-02 Ec_ueg -0.1662061E-02 Delta_ex -0.1118473E-01 Delta_ec 0.4483907E-02 Delta_et -0.4334271E-01 Pxc 0.5300672E+01 Qxc -0.2494417E+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 78 126 123 113 127 91 175 179 76 153 161 79 148 151 78 154 90 149 83 86 150 152 89 103 169 99 93 100 180 163 110 165 139 164 157 121 115 167 58 168 55 65 142 158 140 61 166 144 181 182 141 143 174 183 173 145 114 119 177 135 178 155 176 134 171 112 111 132 137 156 170 71 124 67 129 87 92 159 160 1 1 1 1 1 1 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 14 14 21 21 25 28 28 37 13 24 26 33 39 41 13 14 15 16 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 42 21 28 36 52 27 52 53 53 2.456820 1.974069 1.890975 1.949156 1.903103 1.735229 1.570886 1.542616 1.563213 1.572852 2.440300 1.900686 1.893730 2.031514 1.957514 1.726051 2.425403 1.924611 1.942966 1.939996 1.913830 1.736557 2.466382 1.905391 1.809194 2.070418 2.004313 1.743441 2.481628 1.918540 1.927562 1.919523 1.942593 1.734935 2.440255 1.824314 1.986082 1.931928 2.005083 1.740817 2.460078 1.954946 1.986229 1.909242 1.921723 1.724054 2.356691 2.178380 1.962013 1.977141 1.751466 1.750338 2.489619 1.928663 1.903432 1.969382 1.958736 1.725055 2.516222 1.942681 1.957489 1.873278 1.935878 1.735447 2.544424 1.988814 1.906188 1.977690 1.892966 1.727290 3.241715 3.079492 3.114470 1.013929 3.259473 1.645041 1.718857 1.008436 2.457929 1.974470 1.891484 1.949790 1.903696 1.735232 1.570927 1.542730 1.563258 1.572864 2.441417 1.901227 1.894332 2.032252 1.958342 1.726065 2.426619 1.925069 1.943384 1.940572 1.914368 1.736563 2.467376 1.905845 1.809334 2.070964 2.004941 1.743459 2.482805 1.918978 1.928021 1.920152 1.943193 1.734937 2.441254 1.824665 1.986450 1.932429 2.005698 1.740828 2.461561 1.955702 1.986833 1.910081 1.923168 1.724076 2.358267 2.178736 1.962491 1.977731 1.751481 1.750357 2.490591 1.929280 1.904032 1.970234 1.959534 1.725067 2.517265 1.943071 1.957883 1.873771 1.936427 1.735451 2.545354 1.989549 1.907695 1.978532 1.893647 1.727301 3.297294 3.081582 3.117578 1.014028 3.265207 1.648873 1.719523 1.008570 29 26 26 28 24 20 21 21 21 22 27 25 25 24 23 22 27 27 26 25 23 24 29 25 23 25 24 23 29 26 27 26 26 20 27 23 25 23 25 21 31 23 23 25 23 22 27 26 25 23 22 22 29 23 25 25 25 21 29 23 23 23 23 22 29 26 23 25 23 21 35 33 35 18 35 23 23 21 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 P Mo W W W W Mo W Mo W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.4729 2.2951 2.3444 2.4798 2.4251 2.4669 2.4522 2.3377 2.3798 2.3442 2.4781 2.3200 -1.0509 -0.9888 -1.0411 -1.0564 -0.8976 -0.9462 -0.9216 -0.9606 -0.7284 -0.9620 -0.9337 -0.9154 -0.9195 -0.9289 -0.9595 -0.9061 -0.9606 -0.9370 -0.9298 -0.9363 -0.9675 -0.9009 -0.9304 -0.7766 -0.7442 -0.9662 -0.9720 -0.9295 -0.7799 -0.7094 -0.7004 -0.7838 -0.8040 -0.7789 -0.7946 -0.6965 -0.8126 -0.7033 -0.7843 0.2976 0.3216 2.0867 2.5090 1.9414 2.0897 2.1085 2.0918 2.0916 1.9741 2.1282 1.9446 2.0901 1.9480 1.8948 1.8996 1.8957 1.8934 1.9410 1.9352 1.9436 1.9329 1.8826 1.9327 1.9377 1.9391 1.9394 1.9360 1.9333 1.9557 1.9443 1.9457 1.9455 1.9450 1.9421 1.9494 1.9452 1.9630 1.8816 1.9444 1.9427 1.9467 1.9679 1.9772 1.9792 1.9669 1.9640 1.9685 1.9653 1.9792 1.9606 1.9792 1.9675 0.5348 0.5231 6.0914 7.3681 6.0804 6.0939 6.1050 6.0991 6.0951 6.0712 6.1019 6.0728 6.0930 6.0899 5.1170 5.0499 5.1061 5.1234 4.9307 4.9826 4.9476 4.9971 4.8154 5.0001 4.9677 4.9481 4.9517 4.9637 4.9961 4.9172 4.9851 4.9608 4.9543 4.9611 4.9929 4.9242 4.9551 4.7795 4.8333 4.9907 4.9973 4.9529 4.7758 4.6985 4.6872 4.7810 4.8052 4.7741 4.7941 4.6830 4.8181 4.6900 4.7806 0.1676 0.1553 3.3196 0.8277 3.6337 3.3072 3.3326 3.3128 3.3319 3.6170 3.3616 3.6384 3.3095 3.6421 0.0391 0.0393 0.0393 0.0397 0.0258 0.0284 0.0303 0.0305 0.0304 0.0292 0.0282 0.0282 0.0285 0.0292 0.0301 0.0333 0.0313 0.0305 0.0299 0.0302 0.0325 0.0273 0.0301 0.0341 0.0293 0.0311 0.0320 0.0299 0.0362 0.0337 0.0341 0.0360 0.0348 0.0363 0.0353 0.0343 0.0338 0.0341 0.0361 0.0000 0.0000 14.0295 0.0000 0.0000 14.0295 14.0288 14.0295 14.0293 0.0000 14.0285 0.0000 14.0293 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W P Mo W W W W Mo W Mo W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.515644 2.004099 3.182515 2.518965 2.490448 2.518491 2.501908 3.192682 2.496425 3.178629 2.514019 3.174110 -1.033717 -1.013497 -1.096379 -1.071261 -1.178038 -1.063148 -0.936180 -0.954754 -0.733194 -0.960838 -1.073948 -1.072156 -1.077749 -1.050230 -0.956429 -0.749969 -0.945102 -1.059867 -1.045024 -1.049667 -0.944860 -1.150209 -1.050997 -0.821562 -0.714042 -0.946240 -0.945700 -1.047297 -0.810041 -0.982783 -0.967799 -0.815752 -0.843129 -0.808213 -0.829482 -0.962097 -0.852561 -0.971540 -0.815747 0.049626 0.063636 1.952284 1.568318 2.376468 1.945055 1.919970 1.948733 1.944272 2.362608 1.953496 2.370816 1.941235 2.345323 -0.750598 -0.771023 -0.844565 -0.802927 -0.905886 -0.828931 -0.727693 -0.712980 -0.807826 -0.718722 -0.804709 -0.823242 -0.823098 -0.804281 -0.713727 -0.629629 -0.778108 -0.837505 -0.844393 -0.851089 -0.762470 -0.919364 -0.853479 -0.712890 -0.824252 -0.775839 -0.768366 -0.847669 -0.702013 -0.737534 -0.735988 -0.711094 -0.739937 -0.698323 -0.718842 -0.718177 -0.752530 -0.743096 -0.713422 0.292676 0.294961 2.054075 1.536678 2.463171 2.046840 2.013242 2.050699 2.040839 2.507967 2.032950 2.460640 2.043335 2.455653 -0.803533 -0.837133 -0.870476 -0.848111 -0.986191 -0.910871 -0.794877 -0.789215 -0.871976 -0.799419 -0.892672 -0.890604 -0.890607 -0.923131 -0.792771 -0.757233 -0.809593 -0.881069 -0.893412 -0.893638 -0.796508 -0.971033 -0.892041 -0.699929 -0.890840 -0.811523 -0.813529 -0.898179 -0.667487 -0.717105 -0.693140 -0.674827 -0.710542 -0.658565 -0.683877 -0.705814 -0.733418 -0.703031 -0.681751 0.397637 0.435945 1.04564153 -1.40895977 -0.08484011 1.75662508 -12.54619224 8.47933435 -15.15948410 9.04127720 5.42892441 3.50491504 -371.5769 402.2004 -74.9200 -379.1772 -29.5630 -453.0366 May01-2024 18:12:43 Nodes: 1 Procs: 1 May01-2024 18:12:43 Nodes: 1 Procs: 1 0 May01-2024 18:12:44 Nodes: 1 Procs: 1 May01-2024 18:12:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May01-2024 18:12:45 Nodes: 1 Procs: 1 May01-2024 18:12:46 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May01-2024 18:12:46 Nodes: 1 Procs: 1 May01-2024 18:12:47 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May01-2024 18:12:47 Nodes: 1 Procs: 1 May01-2024 18:12:48 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 May01-2024 18:12:50 Nodes: 1 Procs: 24 *** (NO TITLE) *** -5 -15.98624638 -16.43541989 -16.12901828 -16.44832103 -16.58041107 -16.60924475 -16.62332252 -16.62419889 -16.63126650 -16.63486979 -16.63687271 -16.63854026 -16.64076668 -16.64497490 -16.64531387 -16.64758607 -16.64805095 -16.64831109 -16.64843422 -16.64856162 -16.64860284 -16.64864421 -16.64866672 -16.64869359 -16.64870792 -16.64872720 -16.64874806 -16.64877070 -16.64877806 -16.64878955 -16.64878863 -16.64878838 -16.64879041 GEOMETRY CONVERGED