ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:00:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.06 2.52 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 Jun20-2024 21:00:25 Nodes: 1 Procs: 1 Jun20-2024 21:00:28 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:00:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.47 0.08 2.51 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun20-2024 21:00:25 Nodes: 1 Procs: 1 Jun20-2024 21:00:28 Nodes: 1 Procs: 1 0 Jun20-2024 21:00:32 Nodes: 1 Procs: 1 Jun20-2024 21:00:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:00:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.66 0.10 3.79 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 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 21:00:25 Nodes: 1 Procs: 1 Jun20-2024 21:00:28 Nodes: 1 Procs: 1 0 Jun20-2024 21:00:32 Nodes: 1 Procs: 1 Jun20-2024 21:00:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 21:00:38 Nodes: 1 Procs: 1 Jun20-2024 21:00:42 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:00:46 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.06 2.04 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 Jun20-2024 21:00:25 Nodes: 1 Procs: 1 Jun20-2024 21:00:28 Nodes: 1 Procs: 1 0 Jun20-2024 21:00:32 Nodes: 1 Procs: 1 Jun20-2024 21:00:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 21:00:38 Nodes: 1 Procs: 1 Jun20-2024 21:00:42 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 21:00:46 Nodes: 1 Procs: 1 Jun20-2024 21:00:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:00:52 Hydrogen (TZP) c3-18 c3-18 c3-18 c3-18 c3-18 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.07 5.78 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 Jun20-2024 21:00:25 Nodes: 1 Procs: 1 Jun20-2024 21:00:28 Nodes: 1 Procs: 1 0 Jun20-2024 21:00:32 Nodes: 1 Procs: 1 Jun20-2024 21:00:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 21:00:38 Nodes: 1 Procs: 1 Jun20-2024 21:00:42 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 21:00:46 Nodes: 1 Procs: 1 Jun20-2024 21:00:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 21:00:52 Nodes: 1 Procs: 1 Jun20-2024 21:00:56 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:01:05 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2903.6250000000064 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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.Ta ADF 2019.304 Jun20-2024 21:00:42 1 1 Tantalum TZP 4d t21.W ADF 2019.304 Jun20-2024 21:00:56 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun20-2024 21:00:49 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun20-2024 21:00:34 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun20-2024 21:00:28 1 1 Hydrogen TZP 1 1 -17.43759598 0.21600818 0.00100000 F 0.09275370 0.00066667 F 0.21600818 0.09275370 0.11442263 0.01000000 F 0.03500664 0.00666667 F Cartesian 2903.6250000000064 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288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 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 -5.578 -5.569 -5.542 -5.518 -5.515 -5.490 -5.444 -5.373 -5.235 -5.200 -2.355 -2.228 -2.111 -2.049 -1.866 -1.645 -1.628 -1.553 -1.292 -1.237 A A A A A A A A A A A A A A A A A A A A 0.00000000063138 0.00044198276128 0.00031401499991 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 73 73 73 73 73 73 74 74 74 74 74 74 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 8 33 1 0.087409 -2.606195 2.579675 -0.064908 2.600293 2.599102 2.608160 2.596984 -0.109435 -2.608890 -2.583285 -0.113957 -2.583246 -0.146652 -2.612770 2.620669 0.114272 -2.575827 -0.112848 -2.570072 -2.583646 0.161778 2.550119 -2.612042 2.558687 -2.573163 0.108993 -2.487296 2.515757 0.116101 -2.565687 0.080379 2.602990 2.571208 -0.093994 2.585753 0.960617 -0.949181 0.982225 -0.989722 -0.983268 -1.004684 0.994076 0.997602 -1.008903 -1.001647 1.002751 0.934011 -3.062585 -1.110687 1.202769 3.050465 -1.215948 -1.146385 -3.034968 1.234388 -1.135905 3.058831 1.134885 1.206212 1.132695 -1.198029 -3.015499 1.229530 1.163263 3.114085 -1.123262 1.204157 -3.005630 -1.237473 -1.149475 3.120291 -1.130863 3.003831 -1.107409 -1.212393 -3.070775 1.205251 1.190642 3.085407 1.196322 1.153695 -3.033930 -1.143220 3.422604 -1.532084 1.508273 -3.505723 -1.512559 -1.558278 3.506300 1.540089 -1.558365 -3.412163 1.544352 1.488088 1.562491 -1.488505 3.439007 1.509950 1.574036 -3.515068 -1.572035 1.506144 3.425874 -1.490811 -1.575495 -3.506788 -1.493942 -3.455926 -1.568667 -1.576479 3.459168 1.483918 1.558271 -3.457258 1.499725 1.491495 3.468874 -1.572591 -0.180708 -3.840106 3.850696 0.264168 -3.804223 -3.768750 -0.254796 3.798592 -3.768333 0.190704 3.845751 3.857999 3.774834 -3.789798 -0.214423 3.851711 3.850068 0.206846 -3.799141 3.867007 -0.231880 -3.862802 -3.827530 0.196240 -3.795191 0.251367 -3.869489 -3.841590 -0.170518 3.775693 3.834609 0.174417 3.769437 3.827358 -0.255650 -3.848033 0.002494 0.008112 -0.045956 -4.324181 3.736245 -1.047341 1 3 -3 0.087409 -2.606195 2.579675 Rho 0.3882646E+07 3,-3 2 3 -3 -0.064908 2.600293 2.599102 Rho 0.3882646E+07 3,-3 3 3 -3 2.608160 2.596984 -0.109435 Rho 0.3882646E+07 3,-3 4 3 -3 -2.608890 -2.583285 -0.113957 Rho 0.3882646E+07 3,-3 5 3 -3 -2.583246 -0.146652 -2.612770 Rho 0.3882646E+07 3,-3 6 3 -3 2.620669 0.114272 -2.575827 Rho 0.3882646E+07 3,-3 7 3 -3 -0.112848 -2.570072 -2.583646 Rho 0.4361414E+07 3,-3 8 3 -3 0.161778 2.550119 -2.612042 Rho 0.4361414E+07 3,-3 9 3 -3 2.558687 -2.573163 0.108993 Rho 0.4361414E+07 3,-3 10 3 -3 -2.487296 2.515757 0.116101 Rho 0.4361413E+07 3,-3 11 3 -3 -2.565687 0.080379 2.602990 Rho 0.4361415E+07 3,-3 12 3 -3 2.571208 -0.093994 2.585753 Rho 0.4361415E+07 3,-3 13 3 -3 0.960617 -0.949181 0.982225 Rho 0.3190401E+03 3,-3 14 3 -3 -0.989722 -0.983268 -1.004684 Rho 0.3190151E+03 3,-3 15 3 -3 0.994076 0.997602 -1.008903 Rho 0.3190117E+03 3,-3 16 3 -3 -1.001647 1.002751 0.934011 Rho 0.3190069E+03 3,-3 17 3 -3 -3.062585 -1.110687 1.202769 Rho 0.3188517E+03 3,-3 18 3 -3 3.050465 -1.215948 -1.146385 Rho 0.3188471E+03 3,-3 19 3 -3 -3.034968 1.234388 -1.135905 Rho 0.3189414E+03 3,-3 20 3 -3 3.058831 1.134885 1.206212 Rho 0.3188485E+03 3,-3 21 3 -3 1.132695 -1.198029 -3.015499 Rho 0.3188629E+03 3,-3 22 3 -3 1.229530 1.163263 3.114085 Rho 0.3188372E+03 3,-3 23 3 -3 -1.123262 1.204157 -3.005630 Rho 0.3188578E+03 3,-3 24 3 -3 -1.237473 -1.149475 3.120291 Rho 0.3188585E+03 3,-3 25 3 -3 -1.130863 3.003831 -1.107409 Rho 0.3189142E+03 3,-3 26 3 -3 -1.212393 -3.070775 1.205251 Rho 0.3188225E+03 3,-3 27 3 -3 1.190642 3.085407 1.196322 Rho 0.3188249E+03 3,-3 28 3 -3 1.153695 -3.033930 -1.143220 Rho 0.3188502E+03 3,-3 29 3 -3 3.422604 -1.532084 1.508273 Rho 0.3189151E+03 3,-3 30 3 -3 -3.505723 -1.512559 -1.558278 Rho 0.3188701E+03 3,-3 31 3 -3 3.506300 1.540089 -1.558365 Rho 0.3188668E+03 3,-3 32 3 -3 -3.412163 1.544352 1.488088 Rho 0.3189516E+03 3,-3 33 3 -3 1.562491 -1.488505 3.439007 Rho 0.3189111E+03 3,-3 34 3 -3 1.509950 1.574036 -3.515068 Rho 0.3189161E+03 3,-3 35 3 -3 -1.572035 1.506144 3.425874 Rho 0.3189053E+03 3,-3 36 3 -3 -1.490811 -1.575495 -3.506788 Rho 0.3188925E+03 3,-3 37 3 -3 -1.493942 -3.455926 -1.568667 Rho 0.3189024E+03 3,-3 38 3 -3 -1.576479 3.459168 1.483918 Rho 0.3189596E+03 3,-3 39 3 -3 1.558271 -3.457258 1.499725 Rho 0.3189017E+03 3,-3 40 3 -3 1.491495 3.468874 -1.572591 Rho 0.3189078E+03 3,-3 41 3 -3 -0.180708 -3.840106 3.850696 Rho 0.3191169E+03 3,-3 42 3 -3 0.264168 -3.804223 -3.768750 Rho 0.3192437E+03 3,-3 43 3 -3 -0.254796 3.798592 -3.768333 Rho 0.3192490E+03 3,-3 44 3 -3 0.190704 3.845751 3.857999 Rho 0.3191269E+03 3,-3 45 3 -3 3.774834 -3.789798 -0.214423 Rho 0.3192514E+03 3,-3 46 3 -3 3.851711 3.850068 0.206846 Rho 0.3191085E+03 3,-3 47 3 -3 -3.799141 3.867007 -0.231880 Rho 0.3187009E+03 3,-3 48 3 -3 -3.862802 -3.827530 0.196240 Rho 0.3191084E+03 3,-3 49 3 -3 -3.795191 0.251367 -3.869489 Rho 0.3191276E+03 3,-3 50 3 -3 -3.841590 -0.170518 3.775693 Rho 0.3192485E+03 3,-3 51 3 -3 3.834609 0.174417 3.769437 Rho 0.3192429E+03 3,-3 52 3 -3 3.827358 -0.255650 -3.848033 Rho 0.3191170E+03 3,-3 53 3 -3 0.002494 0.008112 -0.045956 Rho 0.4276085E+05 3,-3 54 3 -3 -4.324181 3.736245 -1.047341 Rho 0.4604317E+00 3,-3 55 3 +1 -0.491866 1.666560 -0.573655 Rho 0.9363274E-02 |GRAD(Rho)| 0.2156660E-13 GRAD(Rho)x 0.1222675E-13 GRAD(Rho)y -0.3554740E-14 GRAD(Rho)z 0.1740656E-13 Laplacian 0.3728026E-01 (-1/4)Del**2(Rho)) -0.9320066E-02 Diamond 0.1116000E-02 Metallicity 0.7688597E+00 Ellipticity -0.1452616E+01 Gb(Abramov) 0.7407681E-02 Vb(Abramov) -0.5495296E-02 Hb(Abramov) 0.1912385E-02 Ex_ueg -0.1457545E-02 Ec_ueg -0.3392592E-03 Delta_ex -0.1738568E-02 Delta_ec 0.5214828E-03 Delta_et -0.3645331E-02 Pxc 0.4296259E+01 Qxc -0.3333893E+01 3,+1 56 3 +1 -2.212207 -1.388273 -1.101569 Rho 0.2535131E-01 |GRAD(Rho)| 0.1918723E-13 GRAD(Rho)x -0.8026386E-14 GRAD(Rho)y -0.1420464E-13 GRAD(Rho)z 0.1009727E-13 Laplacian 0.9453344E-01 (-1/4)Del**2(Rho)) -0.2363336E-01 Diamond 0.1215803E-01 Metallicity 0.1594759E+01 Ellipticity -0.3802407E+01 Gb(Abramov) 0.2203716E-01 Vb(Abramov) -0.2044096E-01 Hb(Abramov) 0.1596200E-02 Ex_ueg -0.5500291E-02 Ec_ueg -0.1106418E-02 Delta_ex -0.5853917E-02 Delta_ec 0.1519326E-02 Delta_et -0.1347601E-01 Pxc 0.4971257E+01 Qxc -0.3852969E+01 3,+1 57 3 +1 -2.991795 -0.150663 -0.186043 Rho 0.4975487E-02 |GRAD(Rho)| 0.6319986E-17 GRAD(Rho)x 0.4149258E-17 GRAD(Rho)y 0.2466405E-17 GRAD(Rho)z -0.4079550E-17 Laplacian 0.1963450E-01 (-1/4)Del**2(Rho)) -0.4908625E-02 Diamond 0.4023663E-03 Metallicity 0.5089236E+00 Ellipticity -0.2085711E+01 Gb(Abramov) 0.3688769E-02 Vb(Abramov) -0.2468913E-02 Hb(Abramov) 0.1219856E-02 Ex_ueg -0.6273344E-03 Ec_ueg -0.1458580E-03 Delta_ex -0.9262160E-03 Delta_ec 0.5306709E-03 Delta_et -0.2913175E-02 Pxc 0.4300993E+01 Qxc -0.1745368E+01 3,+1 58 3 -1 -2.012090 -3.031834 -0.882102 Rho 0.1133793E+00 |GRAD(Rho)| 0.9499597E-16 GRAD(Rho)x 0.7021564E-16 GRAD(Rho)y -0.3411849E-16 GRAD(Rho)z -0.5412879E-16 Laplacian 0.4605150E+00 (-1/4)Del**2(Rho)) -0.1151288E+00 Diamond 0.6886686E+00 Metallicity 0.3974284E+01 Ellipticity 0.6520971E-02 Gb(Abramov) 0.1530116E+00 Vb(Abramov) -0.1908944E+00 Hb(Abramov) -0.3788281E-01 Ex_ueg -0.4052876E-01 Ec_ueg -0.6142416E-02 Delta_ex -0.4654476E-01 Delta_ec 0.1306133E-01 Delta_et -0.1670447E+00 Pxc 0.6598179E+01 Qxc -0.3563555E+01 3,-1 59 3 +1 -1.702542 -0.538806 0.504520 Rho 0.8058232E-02 |GRAD(Rho)| 0.1085924E-10 GRAD(Rho)x -0.4064345E-11 GRAD(Rho)y -0.9579781E-11 GRAD(Rho)z -0.3103555E-11 Laplacian 0.3075445E-01 (-1/4)Del**2(Rho)) -0.7688611E-02 Diamond 0.7573660E-03 Metallicity 0.7257241E+00 Ellipticity -0.1449819E+01 Gb(Abramov) 0.6055709E-02 Vb(Abramov) -0.4422807E-02 Hb(Abramov) 0.1632902E-02 Ex_ueg -0.1193177E-02 Ec_ueg -0.2808055E-03 Delta_ex -0.1384137E-02 Delta_ec 0.4364060E-03 Delta_et -0.2930207E-02 Pxc 0.4249122E+01 Qxc -0.3171673E+01 3,+1 60 3 -1 1.767144 0.542490 -1.753390 Rho 0.4246135E-01 |GRAD(Rho)| 0.2314017E-15 GRAD(Rho)x 0.1431325E-15 GRAD(Rho)y -0.5354053E-16 GRAD(Rho)z -0.1737620E-15 Laplacian 0.1827239E+00 (-1/4)Del**2(Rho)) -0.4568097E-01 Diamond 0.7963448E-01 Metallicity 0.1948981E+01 Ellipticity 0.2472324E-01 Gb(Abramov) 0.4529254E-01 Vb(Abramov) -0.4490410E-01 Hb(Abramov) 0.3884362E-03 Ex_ueg -0.1094066E-01 Ec_ueg -0.2002611E-02 Delta_ex -0.1473033E-01 Delta_ec 0.5973406E-02 Delta_et -0.6040666E-01 Pxc 0.5463197E+01 Qxc -0.2465985E+01 3,-1 61 3 -1 -1.760764 -1.743121 -0.545049 Rho 0.4032687E-01 |GRAD(Rho)| 0.4975688E-14 GRAD(Rho)x 0.1565612E-14 GRAD(Rho)y 0.3031669E-14 GRAD(Rho)z -0.3621507E-14 Laplacian 0.1736477E+00 (-1/4)Del**2(Rho)) -0.4341193E-01 Diamond 0.7065070E-01 Metallicity 0.1881922E+01 Ellipticity 0.1622849E-01 Gb(Abramov) 0.4255760E-01 Vb(Abramov) -0.4170326E-01 Hb(Abramov) 0.8543341E-03 Ex_ueg -0.1021357E-01 Ec_ueg -0.1887606E-02 Delta_ex -0.1382924E-01 Delta_ec 0.5687745E-02 Delta_et -0.5671132E-01 Pxc 0.5410860E+01 Qxc -0.2431410E+01 3,-1 62 3 +3 -1.136798 1.095928 -1.146098 Rho 0.5315061E-02 |GRAD(Rho)| 0.4953351E-17 GRAD(Rho)x 0.2804457E-18 GRAD(Rho)y -0.2222429E-17 GRAD(Rho)z 0.4417901E-17 Laplacian 0.2071036E-01 (-1/4)Del**2(Rho)) -0.5177590E-02 Diamond 0.1568359E-03 Metallicity 0.5386078E+00 Ellipticity -0.3206164E+00 Gb(Abramov) 0.3916508E-02 Vb(Abramov) -0.2655427E-02 Hb(Abramov) 0.1261082E-02 Ex_ueg -0.6850613E-03 Ec_ueg -0.1604963E-03 Delta_ex -0.7274304E-03 Delta_ec 0.9057779E-04 Delta_et -0.7264256E-03 Pxc 0.4268394E+01 Qxc -0.8031002E+01 3,+3 63 3 +1 -0.174590 -0.167463 -2.923713 Rho 0.5329388E-02 |GRAD(Rho)| 0.8538471E-13 GRAD(Rho)x -0.5577962E-13 GRAD(Rho)y -0.5906446E-13 GRAD(Rho)z -0.2627874E-13 Laplacian 0.2120356E-01 (-1/4)Del**2(Rho)) -0.5300889E-02 Diamond 0.4990623E-03 Metallicity 0.5284453E+00 Ellipticity -0.2718633E+01 Gb(Abramov) 0.4000798E-02 Vb(Abramov) -0.2700706E-02 Hb(Abramov) 0.1300091E-02 Ex_ueg -0.6875245E-03 Ec_ueg -0.1611151E-03 Delta_ex -0.1033486E-02 Delta_ec 0.6072422E-03 Delta_et -0.3385838E-02 Pxc 0.4267287E+01 Qxc -0.1701934E+01 3,+1 64 3 +1 -1.027356 1.459722 2.153221 Rho 0.2469355E-01 |GRAD(Rho)| 0.3947725E-16 GRAD(Rho)x 0.2110101E-17 GRAD(Rho)y 0.4948327E-17 GRAD(Rho)z 0.3910901E-16 Laplacian 0.9323234E-01 (-1/4)Del**2(Rho)) -0.2330808E-01 Diamond 0.1079726E-01 Metallicity 0.1547697E+01 Ellipticity -0.2617326E+01 Gb(Abramov) 0.2155103E-01 Vb(Abramov) -0.1979398E-01 Hb(Abramov) 0.1757054E-02 Ex_ueg -0.5310839E-02 Ec_ueg -0.1073297E-02 Delta_ex -0.5647966E-02 Delta_ec 0.1347270E-02 Delta_et -0.1191323E-01 Pxc 0.4948153E+01 Qxc -0.4192158E+01 3,+1 65 3 -1 -3.190076 3.217884 -0.089553 Rho 0.1540220E+00 |GRAD(Rho)| 0.3565732E-13 GRAD(Rho)x -0.2648435E-14 GRAD(Rho)y 0.3162000E-13 GRAD(Rho)z 0.1626673E-13 Laplacian 0.5831781E+00 (-1/4)Del**2(Rho)) -0.1457945E+00 Diamond 0.1249736E+01 Metallicity 0.5229377E+01 Ellipticity 0.1173218E+00 Gb(Abramov) 0.2242654E+00 Vb(Abramov) -0.3027363E+00 Hb(Abramov) -0.7847091E-01 Ex_ueg -0.6097644E-01 Ec_ueg -0.8701476E-02 Delta_ex -0.6332344E-01 Delta_ec 0.1521027E-01 Delta_et -0.2044378E+00 Pxc 0.7007598E+01 Qxc -0.4163203E+01 3,-1 66 3 -1 -3.282756 -3.251987 0.051899 Rho 0.2108072E+00 |GRAD(Rho)| 0.2552854E-14 GRAD(Rho)x -0.1640289E-14 GRAD(Rho)y 0.5478474E-15 GRAD(Rho)z -0.1877865E-14 Laplacian 0.7887656E+00 (-1/4)Del**2(Rho)) -0.1971914E+00 Diamond 0.2387156E+01 Metallicity 0.6523405E+01 Ellipticity 0.4937011E-02 Gb(Abramov) 0.3458542E+00 Vb(Abramov) -0.4945169E+00 Hb(Abramov) -0.1486628E+00 Ex_ueg -0.9266144E-01 Ec_ueg -0.1244449E-01 Delta_ex -0.9215142E-01 Delta_ec 0.1809328E-01 Delta_et -0.2489997E+00 Pxc 0.7445980E+01 Qxc -0.5093128E+01 3,-1 67 3 -1 -3.071680 -2.007945 -0.878277 Rho 0.1198407E+00 |GRAD(Rho)| 0.2301340E-14 GRAD(Rho)x 0.1302601E-15 GRAD(Rho)y 0.1121133E-14 GRAD(Rho)z 0.2005557E-14 Laplacian 0.4907549E+00 (-1/4)Del**2(Rho)) -0.1226887E+00 Diamond 0.7763755E+00 Metallicity 0.4090304E+01 Ellipticity 0.2372211E-02 Gb(Abramov) 0.1654315E+00 Vb(Abramov) -0.2081743E+00 Hb(Abramov) -0.4274280E-01 Ex_ueg -0.4363726E-01 Ec_ueg -0.6541875E-02 Delta_ex -0.5014258E-01 Delta_ec 0.1355030E-01 Delta_et -0.1747924E+00 Pxc 0.6670452E+01 Qxc -0.3700478E+01 3,-1 68 3 +1 -1.798583 -1.769618 1.811275 Rho 0.1142142E-01 |GRAD(Rho)| 0.1974170E-12 GRAD(Rho)x -0.6029579E-13 GRAD(Rho)y 0.1277057E-12 GRAD(Rho)z 0.1379461E-12 Laplacian 0.5372565E-01 (-1/4)Del**2(Rho)) -0.1343141E-01 Diamond 0.1925928E-02 Metallicity 0.7429594E+00 Ellipticity -0.1257591E+01 Gb(Abramov) 0.1061744E-01 Vb(Abramov) -0.7803468E-02 Hb(Abramov) 0.2813972E-02 Ex_ueg -0.1899672E-02 Ec_ueg -0.4329261E-03 Delta_ex -0.2580217E-02 Delta_ec 0.6500429E-03 Delta_et -0.4852835E-02 Pxc 0.4387982E+01 Qxc -0.3969303E+01 3,+1 69 3 +1 -1.688502 0.520049 -0.617048 Rho 0.8452398E-02 |GRAD(Rho)| 0.2220680E-16 GRAD(Rho)x -0.4625528E-18 GRAD(Rho)y -0.2182331E-16 GRAD(Rho)z 0.4083045E-17 Laplacian 0.3307930E-01 (-1/4)Del**2(Rho)) -0.8269824E-02 Diamond 0.8738377E-03 Metallicity 0.7306175E+00 Ellipticity -0.1445330E+01 Gb(Abramov) 0.6520229E-02 Vb(Abramov) -0.4770634E-02 Hb(Abramov) 0.1749595E-02 Ex_ueg -0.1271623E-02 Ec_ueg -0.2983808E-03 Delta_ex -0.1508845E-02 Delta_ec 0.4730805E-03 Delta_et -0.3212907E-02 Pxc 0.4261744E+01 Qxc -0.3189405E+01 3,+1 70 3 -1 -2.961321 1.984859 0.849008 Rho 0.1531483E+00 |GRAD(Rho)| 0.8564610E-15 GRAD(Rho)x 0.2612792E-15 GRAD(Rho)y 0.4433032E-15 GRAD(Rho)z -0.6846466E-15 Laplacian 0.5955753E+00 (-1/4)Del**2(Rho)) -0.1488938E+00 Diamond 0.1229901E+01 Metallicity 0.5072206E+01 Ellipticity 0.3979064E-01 Gb(Abramov) 0.2251326E+00 Vb(Abramov) -0.3013714E+00 Hb(Abramov) -0.7623877E-01 Ex_ueg -0.6051571E-01 Ec_ueg -0.8645357E-02 Delta_ex -0.6421416E-01 Delta_ec 0.1490299E-01 Delta_et -0.1986455E+00 Pxc 0.6999793E+01 Qxc -0.4308811E+01 3,-1 71 3 +1 -1.378972 -1.107753 -2.228413 Rho 0.2582586E-01 |GRAD(Rho)| 0.6687445E-16 GRAD(Rho)x 0.1695519E-16 GRAD(Rho)y 0.1887713E-16 GRAD(Rho)z 0.6187380E-16 Laplacian 0.9895724E-01 (-1/4)Del**2(Rho)) -0.2473931E-01 Diamond 0.1283291E-01 Metallicity 0.1571292E+01 Ellipticity -0.3196006E+01 Gb(Abramov) 0.2297165E-01 Vb(Abramov) -0.2120399E-01 Hb(Abramov) 0.1767657E-02 Ex_ueg -0.5637995E-02 Ec_ueg -0.1130384E-02 Delta_ex -0.6135323E-02 Delta_ec 0.1548900E-02 Delta_et -0.1380845E-01 Pxc 0.4987681E+01 Qxc -0.3961084E+01 3,+1 72 3 +1 -2.170140 1.006731 1.445312 Rho 0.2793629E-01 |GRAD(Rho)| 0.1771089E-16 GRAD(Rho)x -0.7733378E-18 GRAD(Rho)y -0.3418436E-17 GRAD(Rho)z 0.1736064E-16 Laplacian 0.1083290E+00 (-1/4)Del**2(Rho)) -0.2708226E-01 Diamond 0.1374911E-01 Metallicity 0.1636124E+01 Ellipticity -0.2283191E+01 Gb(Abramov) 0.2543983E-01 Vb(Abramov) -0.2379739E-01 Hb(Abramov) 0.1642432E-02 Ex_ueg -0.6260514E-02 Ec_ueg -0.1237658E-02 Delta_ex -0.6682498E-02 Delta_ec 0.1376647E-02 Delta_et -0.1255196E-01 Pxc 0.5058354E+01 Qxc -0.4854186E+01 3,+1 73 3 -1 -2.837725 -1.801889 0.582568 Rho 0.1108632E+00 |GRAD(Rho)| 0.1288227E-15 GRAD(Rho)x 0.9585025E-16 GRAD(Rho)y -0.1076071E-16 GRAD(Rho)z -0.8539447E-16 Laplacian 0.4761927E+00 (-1/4)Del**2(Rho)) -0.1190482E+00 Diamond 0.6949297E+00 Metallicity 0.3702341E+01 Ellipticity 0.2412964E-01 Gb(Abramov) 0.1528249E+00 Vb(Abramov) -0.1866017E+00 Hb(Abramov) -0.3377676E-01 Ex_ueg -0.3933403E-01 Ec_ueg -0.5987681E-02 Delta_ex -0.4790418E-01 Delta_ec 0.1362193E-01 Delta_et -0.1735336E+00 Pxc 0.6569160E+01 Qxc -0.3516696E+01 3,-1 74 3 -1 -4.204118 3.762599 -0.864275 Rho 0.3347356E+00 |GRAD(Rho)| 0.1218534E-12 GRAD(Rho)x -0.1822426E-13 GRAD(Rho)y 0.7456326E-13 GRAD(Rho)z 0.9463850E-13 Laplacian -0.1756487E+01 (-1/4)Del**2(Rho)) 0.4391217E+00 Diamond 0.6344346E+01 Metallicity -0.6330988E+01 Ellipticity 0.1698822E-02 Gb(Abramov) 0.1705979E+00 Vb(Abramov) -0.7803176E+00 Hb(Abramov) -0.6097197E+00 Ex_ueg -0.1716542E+00 Ec_ueg -0.2123473E-01 Delta_ex 0.1784920E+00 Delta_ec 0.6046363E-01 Delta_et -0.1465097E+01 Pxc 0.8083650E+01 Qxc 0.2952055E+01 3,-1 75 3 +3 -2.369906 -0.030877 -0.059096 Rho 0.4323028E-02 |GRAD(Rho)| 0.2120738E-15 GRAD(Rho)x 0.1518460E-15 GRAD(Rho)y -0.8186686E-16 GRAD(Rho)z -0.1233527E-15 Laplacian 0.1763140E-01 (-1/4)Del**2(Rho)) -0.4407849E-02 Diamond 0.1437996E-03 Metallicity 0.4483734E+00 Ellipticity -0.3850181E+00 Gb(Abramov) 0.3267960E-02 Vb(Abramov) -0.2128071E-02 Hb(Abramov) 0.1139889E-02 Ex_ueg -0.5201187E-03 Ec_ueg -0.1178973E-03 Delta_ex -0.6335097E-03 Delta_ec 0.1639991E-03 Delta_et -0.1012811E-02 Pxc 0.4411626E+01 Qxc -0.3862884E+01 3,+3 76 3 -1 -3.062137 -0.871441 -2.043454 Rho 0.1373708E+00 |GRAD(Rho)| 0.3516963E-15 GRAD(Rho)x 0.9236047E-16 GRAD(Rho)y -0.3304648E-15 GRAD(Rho)z -0.7715454E-16 Laplacian 0.5527272E+00 (-1/4)Del**2(Rho)) -0.1381818E+00 Diamond 0.1025996E+01 Metallicity 0.4559593E+01 Ellipticity 0.1558710E-01 Gb(Abramov) 0.1971300E+00 Vb(Abramov) -0.2560782E+00 Hb(Abramov) -0.5894820E-01 Ex_ueg -0.5234929E-01 Ec_ueg -0.7640029E-02 Delta_ex -0.5829932E-01 Delta_ec 0.1469369E-01 Delta_et -0.1938349E+00 Pxc 0.6851975E+01 Qxc -0.3967644E+01 3,-1 77 3 +1 -1.748420 1.767299 -1.752394 Rho 0.1214132E-01 |GRAD(Rho)| 0.4362061E-16 GRAD(Rho)x 0.1194174E-16 GRAD(Rho)y 0.3399212E-16 GRAD(Rho)z 0.2459041E-16 Laplacian 0.5946922E-01 (-1/4)Del**2(Rho)) -0.1486730E-01 Diamond 0.2375058E-02 Metallicity 0.7431855E+00 Ellipticity -0.1267336E+01 Gb(Abramov) 0.1175306E-01 Vb(Abramov) -0.8638823E-02 Hb(Abramov) 0.3114241E-02 Ex_ueg -0.2060975E-02 Ec_ueg -0.4660966E-03 Delta_ex -0.2919003E-02 Delta_ec 0.7483126E-03 Delta_et -0.5645199E-02 Pxc 0.4421777E+01 Qxc -0.3900780E+01 3,+1 78 3 +1 0.056326 -0.059327 3.031486 Rho 0.4589855E-02 |GRAD(Rho)| 0.2488573E-14 GRAD(Rho)x 0.1809123E-14 GRAD(Rho)y -0.1708805E-14 GRAD(Rho)z -0.7384885E-17 Laplacian 0.1796068E-01 (-1/4)Del**2(Rho)) -0.4490169E-02 Diamond 0.3974920E-03 Metallicity 0.4863573E+00 Ellipticity -0.6447426E+01 Gb(Abramov) 0.3357417E-02 Vb(Abramov) -0.2224665E-02 Hb(Abramov) 0.1132752E-02 Ex_ueg -0.5633571E-03 Ec_ueg -0.1293055E-03 Delta_ex -0.9036008E-03 Delta_ec 0.6104594E-03 Delta_et -0.3212800E-02 Pxc 0.4356790E+01 Qxc -0.1480198E+01 3,+1 79 3 +1 -0.581314 -0.526791 1.707528 Rho 0.7174232E-02 |GRAD(Rho)| 0.3320347E-16 GRAD(Rho)x 0.1906631E-16 GRAD(Rho)y 0.9049138E-17 GRAD(Rho)z -0.2563317E-16 Laplacian 0.2704364E-01 (-1/4)Del**2(Rho)) -0.6760909E-02 Diamond 0.5663677E-03 Metallicity 0.6799972E+00 Ellipticity -0.1412167E+01 Gb(Abramov) 0.5273506E-02 Vb(Abramov) -0.3786103E-02 Hb(Abramov) 0.1487403E-02 Ex_ueg -0.1021925E-02 Ec_ueg -0.2416463E-03 Delta_ex -0.1181009E-02 Delta_ec 0.3814547E-03 Delta_et -0.2487042E-02 Pxc 0.4229012E+01 Qxc -0.3096066E+01 3,+1 80 3 -1 -2.817073 -0.554594 1.851688 Rho 0.1546663E+00 |GRAD(Rho)| 0.5819720E-13 GRAD(Rho)x 0.9835049E-14 GRAD(Rho)y 0.3535740E-13 GRAD(Rho)z 0.4516681E-13 Laplacian 0.6418419E+00 (-1/4)Del**2(Rho)) -0.1604605E+00 Diamond 0.1334658E+01 Metallicity 0.4784587E+01 Ellipticity 0.8358475E-02 Gb(Abramov) 0.2349298E+00 Vb(Abramov) -0.3093992E+00 Hb(Abramov) -0.7446936E-01 Ex_ueg -0.6131676E-01 Ec_ueg -0.8742889E-02 Delta_ex -0.6930849E-01 Delta_ec 0.1590860E-01 Delta_et -0.2120535E+00 Pxc 0.7013330E+01 Qxc -0.4356667E+01 3,-1 81 3 -1 0.865538 -2.007013 3.021707 Rho 0.1101880E+00 |GRAD(Rho)| 0.1822049E-13 GRAD(Rho)x -0.2315598E-14 GRAD(Rho)y 0.1805237E-13 GRAD(Rho)z 0.8579089E-15 Laplacian 0.4571756E+00 (-1/4)Del**2(Rho)) -0.1142939E+00 Diamond 0.6574224E+00 Metallicity 0.3817280E+01 Ellipticity 0.9124650E-02 Gb(Abramov) 0.1489112E+00 Vb(Abramov) -0.1835286E+00 Hb(Abramov) -0.3461734E-01 Ex_ueg -0.3901493E-01 Ec_ueg -0.5946233E-02 Delta_ex -0.4585250E-01 Delta_ec 0.1296521E-01 Delta_et -0.1647933E+00 Pxc 0.6561285E+01 Qxc -0.3536580E+01 3,-1 82 3 +1 -0.568938 -1.689321 0.544261 Rho 0.7720712E-02 |GRAD(Rho)| 0.1038637E-10 GRAD(Rho)x -0.2890366E-11 GRAD(Rho)y 0.3816358E-11 GRAD(Rho)z -0.9217263E-11 Laplacian 0.2871910E-01 (-1/4)Del**2(Rho)) -0.7179775E-02 Diamond 0.6617311E-03 Metallicity 0.7236656E+00 Ellipticity -0.1452424E+01 Gb(Abramov) 0.5652476E-02 Vb(Abramov) -0.4125177E-02 Hb(Abramov) 0.1527299E-02 Ex_ueg -0.1127011E-02 Ec_ueg -0.2658117E-03 Delta_ex -0.1275878E-02 Delta_ec 0.4024144E-03 Delta_et -0.2676426E-02 Pxc 0.4239885E+01 Qxc -0.3170557E+01 3,+1 83 3 -1 -1.864586 -2.833110 0.585442 Rho 0.1254193E+00 |GRAD(Rho)| 0.4245115E-15 GRAD(Rho)x 0.2068116E-15 GRAD(Rho)y 0.3385692E-15 GRAD(Rho)z -0.1510294E-15 Laplacian 0.5358065E+00 (-1/4)Del**2(Rho)) -0.1339516E+00 Diamond 0.8994535E+00 Metallicity 0.4041532E+01 Ellipticity 0.2154605E-01 Gb(Abramov) 0.1795294E+00 Vb(Abramov) -0.2251071E+00 Hb(Abramov) -0.4557775E-01 Ex_ueg -0.4636650E-01 Ec_ueg -0.6889106E-02 Delta_ex -0.5539297E-01 Delta_ec 0.1473268E-01 Delta_et -0.1917415E+00 Pxc 0.6730409E+01 Qxc -0.3759870E+01 3,-1 84 3 -1 -1.808479 0.568598 -2.809777 Rho 0.1107506E+00 |GRAD(Rho)| 0.3024250E-13 GRAD(Rho)x -0.2525058E-13 GRAD(Rho)y -0.1582550E-13 GRAD(Rho)z 0.5154680E-14 Laplacian 0.4830585E+00 (-1/4)Del**2(Rho)) -0.1207646E+00 Diamond 0.7024379E+00 Metallicity 0.3643539E+01 Ellipticity 0.1802384E-01 Gb(Abramov) 0.1538448E+00 Vb(Abramov) -0.1869251E+00 Hb(Abramov) -0.3308022E-01 Ex_ueg -0.3928074E-01 Ec_ueg -0.5980763E-02 Delta_ex -0.4855873E-01 Delta_ec 0.1377752E-01 Delta_et -0.1754206E+00 Pxc 0.6567849E+01 Qxc -0.3524490E+01 3,-1 85 3 +1 0.541235 -1.668082 -0.547112 Rho 0.8513289E-02 |GRAD(Rho)| 0.5764537E-15 GRAD(Rho)x 0.1370946E-15 GRAD(Rho)y 0.2421941E-15 GRAD(Rho)z 0.5048226E-15 Laplacian 0.3264150E-01 (-1/4)Del**2(Rho)) -0.8160376E-02 Diamond 0.8717593E-03 Metallicity 0.7493281E+00 Ellipticity -0.1474450E+01 Gb(Abramov) 0.6459384E-02 Vb(Abramov) -0.4758391E-02 Hb(Abramov) 0.1700992E-02 Ex_ueg -0.1283852E-02 Ec_ueg -0.3011021E-03 Delta_ex -0.1492036E-02 Delta_ec 0.4676456E-03 Delta_et -0.3181231E-02 Pxc 0.4263842E+01 Qxc -0.3190527E+01 3,+1 86 3 -1 -1.751683 0.535265 1.735250 Rho 0.3959361E-01 |GRAD(Rho)| 0.3289137E-16 GRAD(Rho)x 0.2669001E-17 GRAD(Rho)y -0.6755088E-18 GRAD(Rho)z 0.3277594E-16 Laplacian 0.1569509E+00 (-1/4)Del**2(Rho)) -0.3923772E-01 Diamond 0.5679648E-01 Metallicity 0.2019410E+01 Ellipticity 0.3996031E-01 Gb(Abramov) 0.3936466E-01 Vb(Abramov) -0.3949159E-01 Hb(Abramov) -0.1269373E-03 Ex_ueg -0.9966711E-02 Ec_ueg -0.1848287E-02 Delta_ex -0.1212105E-01 Delta_ec 0.4564807E-02 Delta_et -0.4522861E-01 Pxc 0.5392404E+01 Qxc -0.2655325E+01 3,-1 87 3 -1 -2.026822 0.841301 3.024438 Rho 0.1511387E+00 |GRAD(Rho)| 0.1956399E-15 GRAD(Rho)x 0.1398079E-15 GRAD(Rho)y 0.1045713E-15 GRAD(Rho)z 0.8828116E-16 Laplacian 0.5928220E+00 (-1/4)Del**2(Rho)) -0.1482055E+00 Diamond 0.1206645E+01 Metallicity 0.4984806E+01 Ellipticity 0.2397888E-01 Gb(Abramov) 0.2219329E+00 Vb(Abramov) -0.2956604E+00 Hb(Abramov) -0.7372743E-01 Ex_ueg -0.5945922E-01 Ec_ueg -0.8516446E-02 Delta_ex -0.6372609E-01 Delta_ec 0.1491316E-01 Delta_et -0.1984988E+00 Pxc 0.6981694E+01 Qxc -0.4273145E+01 3,-1 88 3 -1 -1.746600 -0.549717 -1.768130 Rho 0.4364045E-01 |GRAD(Rho)| 0.8878308E-13 GRAD(Rho)x -0.1784153E-14 GRAD(Rho)y 0.3803214E-13 GRAD(Rho)z 0.8020480E-13 Laplacian 0.1883591E+00 (-1/4)Del**2(Rho)) -0.4708977E-01 Diamond 0.8514954E-01 Metallicity 0.1978982E+01 Ellipticity 0.2381209E-01 Gb(Abramov) 0.4692482E-01 Vb(Abramov) -0.4675987E-01 Hb(Abramov) 0.1649533E-03 Ex_ueg -0.1134760E-01 Ec_ueg -0.2066480E-02 Delta_ex -0.1528383E-01 Delta_ec 0.6151835E-02 Delta_et -0.6267698E-01 Pxc 0.5491269E+01 Qxc -0.2484434E+01 3,-1 89 3 +3 -1.936551 1.972963 1.968926 Rho 0.1218573E-01 |GRAD(Rho)| 0.1310217E-16 GRAD(Rho)x -0.2911219E-17 GRAD(Rho)y 0.1058492E-16 GRAD(Rho)z -0.7152008E-17 Laplacian 0.5602803E-01 (-1/4)Del**2(Rho)) -0.1400701E-01 Diamond 0.1508588E-02 Metallicity 0.7936463E+00 Ellipticity -0.9169898E+00 Gb(Abramov) 0.1119077E-01 Vb(Abramov) -0.8374539E-02 Hb(Abramov) 0.2816234E-02 Ex_ueg -0.2071033E-02 Ec_ueg -0.4681497E-03 Delta_ex -0.2543173E-02 Delta_ec 0.3308124E-03 Delta_et -0.2792003E-02 Pxc 0.4423870E+01 Qxc -0.7687658E+01 3,+3 90 3 +1 0.238414 2.989364 -0.185196 Rho 0.5426129E-02 |GRAD(Rho)| 0.2797863E-17 GRAD(Rho)x 0.8283828E-18 GRAD(Rho)y 0.2127995E-17 GRAD(Rho)z -0.1616619E-17 Laplacian 0.2178744E-01 (-1/4)Del**2(Rho)) -0.5446861E-02 Diamond 0.4855505E-03 Metallicity 0.5299363E+00 Ellipticity -0.1979821E+01 Gb(Abramov) 0.4112322E-02 Vb(Abramov) -0.2777783E-02 Hb(Abramov) 0.1334539E-02 Ex_ueg -0.7042148E-03 Ec_ueg -0.1652967E-03 Delta_ex -0.1032644E-02 Delta_ec 0.5647657E-03 Delta_et -0.3191914E-02 Pxc 0.4260308E+01 Qxc -0.1828446E+01 3,+1 91 3 +1 -0.167427 -2.975005 -0.122614 Rho 0.5030323E-02 |GRAD(Rho)| 0.3617174E-14 GRAD(Rho)x -0.2596161E-14 GRAD(Rho)y -0.2714588E-15 GRAD(Rho)z -0.2504038E-14 Laplacian 0.1978186E-01 (-1/4)Del**2(Rho)) -0.4945465E-02 Diamond 0.4486081E-03 Metallicity 0.5144453E+00 Ellipticity -0.3071309E+01 Gb(Abramov) 0.3721005E-02 Vb(Abramov) -0.2496545E-02 Hb(Abramov) 0.1224460E-02 Ex_ueg -0.6365701E-03 Ec_ueg -0.1482180E-03 Delta_ex -0.9695109E-03 Delta_ec 0.5958279E-03 Delta_et -0.3252670E-02 Pxc 0.4294824E+01 Qxc -0.1627166E+01 3,+1 92 3 +3 -1.110973 -1.104320 1.147571 Rho 0.4604912E-02 |GRAD(Rho)| 0.2592346E-17 GRAD(Rho)x 0.2390755E-17 GRAD(Rho)y 0.6535794E-18 GRAD(Rho)z 0.7598580E-18 Laplacian 0.1701318E-01 (-1/4)Del**2(Rho)) -0.4253296E-02 Diamond 0.1069101E-03 Metallicity 0.5162537E+00 Ellipticity -0.2037037E+00 Gb(Abramov) 0.3201494E-02 Vb(Abramov) -0.2149692E-02 Hb(Abramov) 0.1051802E-02 Ex_ueg -0.5658225E-03 Ec_ueg -0.1299504E-03 Delta_ex -0.5753380E-03 Delta_ec 0.7635188E-04 Delta_et -0.5917785E-03 Pxc 0.4354143E+01 Qxc -0.7535348E+01 3,+3 93 3 -1 -1.996493 -0.902125 -3.073051 Rho 0.1193051E+00 |GRAD(Rho)| 0.4163586E-14 GRAD(Rho)x -0.2440797E-14 GRAD(Rho)y 0.2854420E-14 GRAD(Rho)z 0.1797289E-14 Laplacian 0.4869096E+00 (-1/4)Del**2(Rho)) -0.1217274E+00 Diamond 0.7707468E+00 Metallicity 0.4091947E+01 Ellipticity 0.2120815E-01 Gb(Abramov) 0.1641686E+00 Vb(Abramov) -0.2066098E+00 Hb(Abramov) -0.4244121E-01 Ex_ueg -0.4337743E-01 Ec_ueg -0.6508652E-02 Delta_ex -0.4975904E-01 Delta_ec 0.1356882E-01 Delta_et -0.1750652E+00 Pxc 0.6664580E+01 Qxc -0.3667160E+01 3,-1 94 3 -1 -1.757729 2.756952 -0.539003 Rho 0.1596901E+00 |GRAD(Rho)| 0.1292370E-12 GRAD(Rho)x -0.9873255E-13 GRAD(Rho)y -0.1602147E-13 GRAD(Rho)z 0.8183769E-13 Laplacian 0.6655590E+00 (-1/4)Del**2(Rho)) -0.1663897E+00 Diamond 0.1429951E+01 Metallicity 0.4866576E+01 Ellipticity 0.2049745E-01 Gb(Abramov) 0.2458845E+00 Vb(Abramov) -0.3253793E+00 Hb(Abramov) -0.7949480E-01 Ex_ueg -0.6398663E-01 Ec_ueg -0.9066681E-02 Delta_ex -0.7236673E-01 Delta_ec 0.1622917E-01 Delta_et -0.2168611E+00 Pxc 0.7057337E+01 Qxc -0.4459053E+01 3,-1 95 3 -1 -1.988688 3.002766 0.847613 Rho 0.1619336E+00 |GRAD(Rho)| 0.2130413E-15 GRAD(Rho)x 0.1204413E-15 GRAD(Rho)y 0.2289022E-16 GRAD(Rho)z 0.1742313E-15 Laplacian 0.6534036E+00 (-1/4)Del**2(Rho)) -0.1633509E+00 Diamond 0.1427080E+01 Metallicity 0.5073720E+01 Ellipticity 0.1662972E-01 Gb(Abramov) 0.2470334E+00 Vb(Abramov) -0.3307159E+00 Hb(Abramov) -0.8368250E-01 Ex_ueg -0.6518800E-01 Ec_ueg -0.9211761E-02 Delta_ex -0.7128827E-01 Delta_ec 0.1586822E-01 Delta_et -0.2123736E+00 Pxc 0.7076605E+01 Qxc -0.4492519E+01 3,-1 96 3 -1 -1.710598 1.727276 0.513170 Rho 0.6224001E-01 |GRAD(Rho)| 0.1159861E-13 GRAD(Rho)x -0.8669316E-14 GRAD(Rho)y 0.4885042E-14 GRAD(Rho)z -0.5958784E-14 Laplacian 0.2491986E+00 (-1/4)Del**2(Rho)) -0.6229965E-01 Diamond 0.1661746E+00 Metallicity 0.2703027E+01 Ellipticity 0.1153495E-01 Gb(Abramov) 0.6959937E-01 Vb(Abramov) -0.7689909E-01 Hb(Abramov) -0.7299721E-02 Ex_ueg -0.1821705E-01 Ec_ueg -0.3101861E-02 Delta_ex -0.2155708E-01 Delta_ec 0.7185447E-02 Delta_et -0.8003119E-01 Pxc 0.5872940E+01 Qxc -0.3000103E+01 3,-1 97 3 +1 -1.445385 -2.187627 -1.050691 Rho 0.2589375E-01 |GRAD(Rho)| 0.3464568E-16 GRAD(Rho)x -0.3245149E-17 GRAD(Rho)y 0.3229012E-16 GRAD(Rho)z -0.1213013E-16 Laplacian 0.1000227E+00 (-1/4)Del**2(Rho)) -0.2500567E-01 Diamond 0.1224384E-01 Metallicity 0.1561372E+01 Ellipticity -0.2539761E+01 Gb(Abramov) 0.2317764E-01 Vb(Abramov) -0.2134961E-01 Hb(Abramov) 0.1828030E-02 Ex_ueg -0.5657767E-02 Ec_ueg -0.1133818E-02 Delta_ex -0.6125546E-02 Delta_ec 0.1422306E-02 Delta_et -0.1271982E-01 Pxc 0.4990015E+01 Qxc -0.4306770E+01 3,+1 98 3 +3 -0.039007 0.040568 2.370862 Rho 0.3827445E-02 |GRAD(Rho)| 0.3233731E-12 GRAD(Rho)x -0.3191619E-12 GRAD(Rho)y -0.2933735E-13 GRAD(Rho)z -0.4295465E-13 Laplacian 0.1513801E-01 (-1/4)Del**2(Rho)) -0.3784502E-02 Diamond 0.1006185E-03 Metallicity 0.4263106E+00 Ellipticity -0.2139290E+00 Gb(Abramov) 0.2791897E-02 Vb(Abramov) -0.1799292E-02 Hb(Abramov) 0.9926050E-03 Ex_ueg -0.4421779E-03 Ec_ueg -0.9680731E-04 Delta_ex -0.5220621E-03 Delta_ec 0.1311801E-03 Delta_et -0.7999413E-03 Pxc 0.4567609E+01 Qxc -0.3979735E+01 3,+3 99 3 -1 -0.475026 -0.469322 -0.509198 Rho 0.1855913E+00 |GRAD(Rho)| 0.3724609E-15 GRAD(Rho)x 0.2255141E-15 GRAD(Rho)y 0.2844947E-15 GRAD(Rho)z 0.8326673E-16 Laplacian 0.5042329E+00 (-1/4)Del**2(Rho)) -0.1260582E+00 Diamond 0.1341332E+01 Metallicity 0.8252355E+01 Ellipticity 0.3419605E-02 Gb(Abramov) 0.2574183E+00 Vb(Abramov) -0.3887784E+00 Hb(Abramov) -0.1313601E+00 Ex_ueg -0.7818589E-01 Ec_ueg -0.1075961E-01 Delta_ex -0.5726439E-01 Delta_ec 0.1240418E-01 Delta_et -0.1702909E+00 Pxc 0.7266610E+01 Qxc -0.4616539E+01 3,-1 100 3 +3 2.350609 0.016368 -0.022113 Rho 0.4288094E-02 |GRAD(Rho)| 0.2051735E-16 GRAD(Rho)x -0.1151449E-16 GRAD(Rho)y 0.1065027E-16 GRAD(Rho)z -0.1322686E-16 Laplacian 0.1716963E-01 (-1/4)Del**2(Rho)) -0.4292407E-02 Diamond 0.1350665E-03 Metallicity 0.4542479E+00 Ellipticity -0.2999611E+00 Gb(Abramov) 0.3186574E-02 Vb(Abramov) -0.2080741E-02 Hb(Abramov) 0.1105833E-02 Ex_ueg -0.5145223E-03 Ec_ueg -0.1164064E-03 Delta_ex -0.6117348E-03 Delta_ec 0.1527158E-03 Delta_et -0.9509778E-03 Pxc 0.4420050E+01 Qxc -0.4005708E+01 3,+3 101 3 -1 -0.848217 -3.025373 -2.031437 Rho 0.1485668E+00 |GRAD(Rho)| 0.9662222E-13 GRAD(Rho)x -0.2159189E-13 GRAD(Rho)y 0.6440901E-13 GRAD(Rho)z -0.6871043E-13 Laplacian 0.5848334E+00 (-1/4)Del**2(Rho)) -0.1462084E+00 Diamond 0.1163169E+01 Metallicity 0.4910404E+01 Ellipticity 0.3422786E-01 Gb(Abramov) 0.2171293E+00 Vb(Abramov) -0.2880502E+00 Hb(Abramov) -0.7092091E-01 Ex_ueg -0.5811400E-01 Ec_ueg -0.8351832E-02 Delta_ex -0.6257281E-01 Delta_ec 0.1472248E-01 Delta_et -0.1953776E+00 Pxc 0.6958234E+01 Qxc -0.4250154E+01 3,-1 102 3 -1 -0.860896 2.013946 3.023398 Rho 0.1109447E+00 |GRAD(Rho)| 0.3520599E-14 GRAD(Rho)x 0.2315720E-14 GRAD(Rho)y 0.2481183E-14 GRAD(Rho)z -0.9358359E-15 Laplacian 0.4606710E+00 (-1/4)Del**2(Rho)) -0.1151677E+00 Diamond 0.6665959E+00 Metallicity 0.3831774E+01 Ellipticity 0.8880045E-02 Gb(Abramov) 0.1503279E+00 Vb(Abramov) -0.1854881E+00 Hb(Abramov) -0.3516020E-01 Ex_ueg -0.3937257E-01 Ec_ueg -0.5992682E-02 Delta_ex -0.4625718E-01 Delta_ec 0.1300886E-01 Delta_et -0.1655161E+00 Pxc 0.6570107E+01 Qxc -0.3555822E+01 3,-1 103 3 +1 1.439136 1.068279 -2.232175 Rho 0.2519391E-01 |GRAD(Rho)| 0.6257774E-10 GRAD(Rho)x -0.4712090E-10 GRAD(Rho)y 0.3949796E-10 GRAD(Rho)z 0.1164064E-10 Laplacian 0.9564264E-01 (-1/4)Del**2(Rho)) -0.2391066E-01 Diamond 0.1101394E-01 Metallicity 0.1559986E+01 Ellipticity -0.2424484E+01 Gb(Abramov) 0.2215716E-01 Vb(Abramov) -0.2040366E-01 Hb(Abramov) 0.1753502E-02 Ex_ueg -0.5454803E-02 Ec_ueg -0.1098482E-02 Delta_ex -0.5785659E-02 Delta_ec 0.1310383E-02 Delta_et -0.1165965E-01 Pxc 0.4965765E+01 Qxc -0.4415244E+01 3,+1 104 3 +1 0.551874 1.709325 0.530519 Rho 0.7809722E-02 |GRAD(Rho)| 0.8230871E-14 GRAD(Rho)x -0.3266312E-14 GRAD(Rho)y -0.5767226E-14 GRAD(Rho)z -0.4880323E-14 Laplacian 0.2900176E-01 (-1/4)Del**2(Rho)) -0.7250441E-02 Diamond 0.6777437E-03 Metallicity 0.7304346E+00 Ellipticity -0.1457104E+01 Gb(Abramov) 0.5716290E-02 Vb(Abramov) -0.4182138E-02 Hb(Abramov) 0.1534152E-02 Ex_ueg -0.1144368E-02 Ec_ueg -0.2697608E-03 Delta_ex -0.1291631E-02 Delta_ec 0.4054538E-03 Delta_et -0.2705417E-02 Pxc 0.4242159E+01 Qxc -0.3185643E+01 3,+1 105 3 +1 1.682365 -0.540915 -0.573196 Rho 0.8211943E-02 |GRAD(Rho)| 0.5302426E-17 GRAD(Rho)x -0.3466502E-17 GRAD(Rho)y 0.3991277E-17 GRAD(Rho)z 0.4108474E-18 Laplacian 0.3097132E-01 (-1/4)Del**2(Rho)) -0.7742830E-02 Diamond 0.7871665E-03 Metallicity 0.7436982E+00 Ellipticity -0.1478018E+01 Gb(Abramov) 0.6121608E-02 Vb(Abramov) -0.4500386E-02 Hb(Abramov) 0.1621222E-02 Ex_ueg -0.1223619E-02 Ec_ueg -0.2876510E-03 Delta_ex -0.1402732E-02 Delta_ec 0.4434032E-03 Delta_et -0.2988572E-02 Pxc 0.4253833E+01 Qxc -0.3163560E+01 3,+1 106 3 -1 -0.846892 -2.030570 -3.059027 Rho 0.1469783E+00 |GRAD(Rho)| 0.1418214E-15 GRAD(Rho)x 0.5217723E-16 GRAD(Rho)y 0.9860819E-16 GRAD(Rho)z -0.8756288E-16 Laplacian 0.5673121E+00 (-1/4)Del**2(Rho)) -0.1418280E+00 Diamond 0.1121469E+01 Metallicity 0.4972174E+01 Ellipticity 0.2552130E-01 Gb(Abramov) 0.2120843E+00 Vb(Abramov) -0.2823405E+00 Hb(Abramov) -0.7025626E-01 Ex_ueg -0.5728697E-01 Ec_ueg -0.8250361E-02 Delta_ex -0.6061599E-01 Delta_ec 0.1445892E-01 Delta_et -0.1919083E+00 Pxc 0.6943572E+01 Qxc -0.4192290E+01 3,-1 107 3 +1 2.167820 -1.173943 1.273550 Rho 0.2683772E-01 |GRAD(Rho)| 0.5532605E-16 GRAD(Rho)x 0.5148986E-16 GRAD(Rho)y -0.5958138E-17 GRAD(Rho)z 0.1934598E-16 Laplacian 0.1090993E+00 (-1/4)Del**2(Rho)) -0.2727481E-01 Diamond 0.1734313E-01 Metallicity 0.1519500E+01 Ellipticity -0.8246478E+01 Gb(Abramov) 0.2509055E-01 Vb(Abramov) -0.2290630E-01 Hb(Abramov) 0.2184260E-02 Ex_ueg -0.5934431E-02 Ec_ueg -0.1181678E-02 Delta_ex -0.7074546E-02 Delta_ec 0.2135362E-02 Delta_et -0.1912611E-01 Pxc 0.5022037E+01 Qxc -0.3313042E+01 3,+1 108 3 -1 0.507924 -1.738603 1.742050 Rho 0.3880343E-01 |GRAD(Rho)| 0.7772530E-16 GRAD(Rho)x 0.3061304E-16 GRAD(Rho)y 0.6080087E-16 GRAD(Rho)z -0.3751424E-16 Laplacian 0.1653674E+00 (-1/4)Del**2(Rho)) -0.4134186E-01 Diamond 0.6390234E-01 Metallicity 0.1853304E+01 Ellipticity 0.1787182E-01 Gb(Abramov) 0.4033108E-01 Vb(Abramov) -0.3932029E-01 Hb(Abramov) 0.1010781E-02 Ex_ueg -0.9702385E-02 Ec_ueg -0.1806026E-02 Delta_ex -0.1305037E-01 Delta_ec 0.5422961E-02 Delta_et -0.5350069E-01 Pxc 0.5372229E+01 Qxc -0.2406503E+01 3,-1 109 3 -1 -0.541254 -1.741164 -1.758527 Rho 0.4554716E-01 |GRAD(Rho)| 0.2352353E-15 GRAD(Rho)x 0.3898257E-17 GRAD(Rho)y -0.1296922E-15 GRAD(Rho)z -0.1962152E-15 Laplacian 0.1845584E+00 (-1/4)Del**2(Rho)) -0.4613960E-01 Diamond 0.8163838E-01 Metallicity 0.2168943E+01 Ellipticity 0.2232064E-01 Gb(Abramov) 0.4743876E-01 Vb(Abramov) -0.4873792E-01 Hb(Abramov) -0.1299162E-02 Ex_ueg -0.1201342E-01 Ec_ueg -0.2170257E-02 Delta_ex -0.1480209E-01 Delta_ec 0.5435157E-02 Delta_et -0.5590971E-01 Pxc 0.5535484E+01 Qxc -0.2723397E+01 3,-1 110 3 -1 -0.613833 -1.834172 2.854322 Rho 0.1062723E+00 |GRAD(Rho)| 0.7748718E-14 GRAD(Rho)x 0.4458646E-14 GRAD(Rho)y -0.5977572E-14 GRAD(Rho)z -0.2105168E-14 Laplacian 0.4621671E+00 (-1/4)Del**2(Rho)) -0.1155418E+00 Diamond 0.6425940E+00 Metallicity 0.3555063E+01 Ellipticity 0.1614481E-01 Gb(Abramov) 0.1454876E+00 Vb(Abramov) -0.1754334E+00 Hb(Abramov) -0.2994580E-01 Ex_ueg -0.3717734E-01 Ec_ueg -0.5706545E-02 Delta_ex -0.4606377E-01 Delta_ec 0.1339114E-01 Delta_et -0.1692437E+00 Pxc 0.6514860E+01 Qxc -0.3439869E+01 3,-1 111 3 +1 -0.976970 2.198039 1.479961 Rho 0.2483856E-01 |GRAD(Rho)| 0.9883844E-14 GRAD(Rho)x 0.9005042E-15 GRAD(Rho)y 0.2298877E-14 GRAD(Rho)z -0.9570508E-14 Laplacian 0.9728379E-01 (-1/4)Del**2(Rho)) -0.2432095E-01 Diamond 0.9597539E-02 Metallicity 0.1497787E+01 Ellipticity -0.1813382E+01 Gb(Abramov) 0.2228523E-01 Vb(Abramov) -0.2024951E-01 Hb(Abramov) 0.2035717E-02 Ex_ueg -0.5352461E-02 Ec_ueg -0.1080589E-02 Delta_ex -0.5709984E-02 Delta_ec 0.1061501E-02 Delta_et -0.9494593E-02 Pxc 0.4953281E+01 Qxc -0.5379160E+01 3,+1 112 3 +1 -0.547579 0.537596 -1.677042 Rho 0.9054524E-02 |GRAD(Rho)| 0.1610285E-13 GRAD(Rho)x 0.1192154E-14 GRAD(Rho)y -0.1557655E-13 GRAD(Rho)z 0.3905319E-14 Laplacian 0.3454453E-01 (-1/4)Del**2(Rho)) -0.8636132E-02 Diamond 0.1007723E-02 Metallicity 0.7846512E+00 Ellipticity -0.1515443E+01 Gb(Abramov) 0.6886813E-02 Vb(Abramov) -0.5137494E-02 Hb(Abramov) 0.1749319E-02 Ex_ueg -0.1393817E-02 Ec_ueg -0.3253624E-03 Delta_ex -0.1605627E-02 Delta_ec 0.4981313E-03 Delta_et -0.3440398E-02 Pxc 0.4283893E+01 Qxc -0.3223301E+01 3,+1 113 3 -1 -0.519752 1.764298 1.729884 Rho 0.3663765E-01 |GRAD(Rho)| 0.8297584E-16 GRAD(Rho)x 0.3424152E-16 GRAD(Rho)y 0.6508665E-16 GRAD(Rho)z 0.3842184E-16 Laplacian 0.1543831E+00 (-1/4)Del**2(Rho)) -0.3859577E-01 Diamond 0.5502824E-01 Metallicity 0.1803957E+01 Ellipticity 0.3134439E-01 Gb(Abramov) 0.3733470E-01 Vb(Abramov) -0.3607363E-01 Hb(Abramov) 0.1261072E-02 Ex_ueg -0.8987148E-02 Ec_ueg -0.1690800E-02 Delta_ex -0.1200574E-01 Delta_ec 0.5046447E-02 Delta_et -0.4899897E-01 Pxc 0.5315323E+01 Qxc -0.2379049E+01 3,-1 114 3 -1 -0.482241 0.488387 0.421334 Rho 0.1773128E+00 |GRAD(Rho)| 0.1322037E-15 GRAD(Rho)x -0.1179612E-15 GRAD(Rho)y 0.4857226E-16 GRAD(Rho)z -0.3469447E-16 Laplacian 0.4639650E+00 (-1/4)Del**2(Rho)) -0.1159912E+00 Diamond 0.1177830E+01 Metallicity 0.8311792E+01 Ellipticity 0.1268096E-01 Gb(Abramov) 0.2380100E+00 Vb(Abramov) -0.3600288E+00 Hb(Abramov) -0.1220188E+00 Ex_ueg -0.7357073E-01 Ec_ueg -0.1021429E-01 Delta_ex -0.5216685E-01 Delta_ec 0.1168457E-01 Delta_et -0.1599863E+00 Pxc 0.7202726E+01 Qxc -0.4464595E+01 3,-1 115 3 +1 0.192453 0.176336 -2.921445 Rho 0.5324906E-02 |GRAD(Rho)| 0.1806351E-12 GRAD(Rho)x 0.1161914E-12 GRAD(Rho)y 0.1252512E-12 GRAD(Rho)z -0.5865749E-13 Laplacian 0.2120809E-01 (-1/4)Del**2(Rho)) -0.5302023E-02 Diamond 0.4956122E-03 Metallicity 0.5275919E+00 Ellipticity -0.2633680E+01 Gb(Abramov) 0.4000900E-02 Vb(Abramov) -0.2699776E-02 Hb(Abramov) 0.1301124E-02 Ex_ueg -0.6867537E-03 Ec_ueg -0.1609215E-03 Delta_ex -0.1030978E-02 Delta_ec 0.6028112E-03 Delta_et -0.3362305E-02 Pxc 0.4267631E+01 Qxc -0.1710283E+01 3,+1 116 3 +1 1.456584 2.201279 -1.046114 Rho 0.2597785E-01 |GRAD(Rho)| 0.2456575E-15 GRAD(Rho)x 0.1866575E-15 GRAD(Rho)y -0.7894876E-18 GRAD(Rho)z 0.1597059E-15 Laplacian 0.1004754E+00 (-1/4)Del**2(Rho)) -0.2511884E-01 Diamond 0.1205124E-01 Metallicity 0.1562760E+01 Ellipticity -0.2383961E+01 Gb(Abramov) 0.2328835E-01 Vb(Abramov) -0.2145786E-01 Hb(Abramov) 0.1830494E-02 Ex_ueg -0.5682281E-02 Ec_ueg -0.1138072E-02 Delta_ex -0.6127454E-02 Delta_ec 0.1372870E-02 Delta_et -0.1230033E-01 Pxc 0.4992899E+01 Qxc -0.4463246E+01 3,+1 117 3 -1 0.004531 0.000988 -2.925968 Rho 0.5366264E-02 |GRAD(Rho)| 0.3918156E-15 GRAD(Rho)x -0.2385831E-15 GRAD(Rho)y -0.2860190E-15 GRAD(Rho)z 0.1216171E-15 Laplacian 0.2088037E-01 (-1/4)Del**2(Rho)) -0.5220092E-02 Diamond 0.5974196E-03 Metallicity 0.5428273E+00 Ellipticity 0.2901616E+01 Gb(Abramov) 0.3952330E-02 Vb(Abramov) -0.2684567E-02 Hb(Abramov) 0.1267763E-02 Ex_ueg -0.6938747E-03 Ec_ueg -0.1627085E-03 Delta_ex -0.1104818E-02 Delta_ec 0.7509457E-03 Delta_et -0.4128250E-02 Pxc 0.4264526E+01 Qxc -0.1471236E+01 3,-1 118 3 -1 -0.603454 -2.843263 1.845465 Rho 0.1370223E+00 |GRAD(Rho)| 0.2681079E-15 GRAD(Rho)x 0.7323786E-16 GRAD(Rho)y -0.1365146E-15 GRAD(Rho)z -0.2188191E-15 Laplacian 0.5803715E+00 (-1/4)Del**2(Rho)) -0.1450929E+00 Diamond 0.1076872E+01 Metallicity 0.4324069E+01 Ellipticity 0.1492116E-01 Gb(Abramov) 0.2012939E+00 Vb(Abramov) -0.2574949E+00 Hb(Abramov) -0.5620098E-01 Ex_ueg -0.5217232E-01 Ec_ueg -0.7618005E-02 Delta_ex -0.6120954E-01 Delta_ec 0.1549504E-01 Delta_et -0.2044357E+00 Pxc 0.6848555E+01 Qxc -0.3950267E+01 3,-1 119 3 +3 -0.034306 -2.340046 0.019586 Rho 0.4274763E-02 |GRAD(Rho)| 0.5953162E-16 GRAD(Rho)x 0.2956145E-16 GRAD(Rho)y 0.4369585E-16 GRAD(Rho)z 0.2758273E-16 Laplacian 0.1702778E-01 (-1/4)Del**2(Rho)) -0.4256944E-02 Diamond 0.1322906E-03 Metallicity 0.4556611E+00 Ellipticity -0.2862461E+00 Gb(Abramov) 0.3161250E-02 Vb(Abramov) -0.2065556E-02 Hb(Abramov) 0.1095694E-02 Ex_ueg -0.5123906E-03 Ec_ueg -0.1158377E-03 Delta_ex -0.6049453E-03 Delta_ec 0.1492161E-03 Delta_et -0.9317430E-03 Pxc 0.4423351E+01 Qxc -0.4054157E+01 3,+3 120 3 -1 -0.523965 1.828644 -2.807213 Rho 0.1555597E+00 |GRAD(Rho)| 0.1643506E-15 GRAD(Rho)x -0.5502326E-17 GRAD(Rho)y 0.1531707E-15 GRAD(Rho)z 0.5932619E-16 Laplacian 0.6446229E+00 (-1/4)Del**2(Rho)) -0.1611557E+00 Diamond 0.1354488E+01 Metallicity 0.4809898E+01 Ellipticity 0.1060075E-01 Gb(Abramov) 0.2366276E+00 Vb(Abramov) -0.3120994E+00 Hb(Abramov) -0.7547185E-01 Ex_ueg -0.6178947E-01 Ec_ueg -0.8800358E-02 Delta_ex -0.6975316E-01 Delta_ec 0.1603463E-01 Delta_et -0.2140908E+00 Pxc 0.7021244E+01 Qxc -0.4350157E+01 3,-1 121 3 -1 -0.521415 2.774207 -1.815359 Rho 0.1111289E+00 |GRAD(Rho)| 0.2046471E-12 GRAD(Rho)x -0.1302848E-12 GRAD(Rho)y 0.4284405E-13 GRAD(Rho)z 0.1518904E-12 Laplacian 0.4537588E+00 (-1/4)Del**2(Rho)) -0.1134397E+00 Diamond 0.6449531E+00 Metallicity 0.3900917E+01 Ellipticity 0.1515779E-01 Gb(Abramov) 0.1493796E+00 Vb(Abramov) -0.1853195E+00 Hb(Abramov) -0.3593991E-01 Ex_ueg -0.3945977E-01 Ec_ueg -0.6003999E-02 Delta_ex -0.4538832E-01 Delta_ec 0.1246522E-01 Delta_et -0.1581667E+00 Pxc 0.6572249E+01 Qxc -0.3641196E+01 3,-1 122 3 +3 0.074814 2.330803 0.002978 Rho 0.4603284E-02 |GRAD(Rho)| 0.4431621E-16 GRAD(Rho)x -0.5138259E-17 GRAD(Rho)y -0.3427304E-16 GRAD(Rho)z -0.2762035E-16 Laplacian 0.1872129E-01 (-1/4)Del**2(Rho)) -0.4680323E-02 Diamond 0.1578343E-03 Metallicity 0.4688748E+00 Ellipticity -0.3687521E+00 Gb(Abramov) 0.3485963E-02 Vb(Abramov) -0.2291603E-02 Hb(Abramov) 0.1194360E-02 Ex_ueg -0.5655557E-03 Ec_ueg -0.1298806E-03 Delta_ex -0.6747669E-03 Delta_ec 0.1585176E-03 Delta_et -0.1015451E-02 Pxc 0.4354427E+01 Qxc -0.4256731E+01 3,+3 123 3 +1 -1.988085 2.021153 2.013627 Rho 0.1219306E-01 |GRAD(Rho)| 0.2121285E-16 GRAD(Rho)x -0.4091162E-17 GRAD(Rho)y 0.8669304E-17 GRAD(Rho)z -0.1892328E-16 Laplacian 0.5630409E-01 (-1/4)Del**2(Rho)) -0.1407602E-01 Diamond 0.1719053E-02 Metallicity 0.7905474E+00 Ellipticity -0.1067064E+01 Gb(Abramov) 0.1123864E-01 Vb(Abramov) -0.8401262E-02 Hb(Abramov) 0.2837380E-02 Ex_ueg -0.2072695E-02 Ec_ueg -0.4684888E-03 Delta_ex -0.2613222E-02 Delta_ec 0.4343480E-03 Delta_et -0.3495496E-02 Pxc 0.4424216E+01 Qxc -0.6016424E+01 3,+1 124 3 +3 1.099705 1.130877 1.143534 Rho 0.4654344E-02 |GRAD(Rho)| 0.3328618E-12 GRAD(Rho)x -0.3328186E-12 GRAD(Rho)y 0.1411781E-14 GRAD(Rho)z -0.5179384E-14 Laplacian 0.1716148E-01 (-1/4)Del**2(Rho)) -0.4290369E-02 Diamond 0.1090853E-03 Metallicity 0.5209819E+00 Ellipticity -0.2191932E+00 Gb(Abramov) 0.3232780E-02 Vb(Abramov) -0.2175191E-02 Hb(Abramov) 0.1057589E-02 Ex_ueg -0.5739355E-03 Ec_ueg -0.1320683E-03 Delta_ex -0.5817142E-03 Delta_ec 0.7639203E-04 Delta_et -0.5949976E-03 Pxc 0.4345748E+01 Qxc -0.7614855E+01 3,+3 125 3 +1 0.555913 -0.529760 -1.680587 Rho 0.8883834E-02 |GRAD(Rho)| 0.1133510E-16 GRAD(Rho)x 0.3467908E-17 GRAD(Rho)y 0.3526281E-17 GRAD(Rho)z 0.1019919E-16 Laplacian 0.3378628E-01 (-1/4)Del**2(Rho)) -0.8446571E-02 Diamond 0.9611100E-03 Metallicity 0.7772131E+00 Ellipticity -0.1511289E+01 Gb(Abramov) 0.6725178E-02 Vb(Abramov) -0.5003785E-02 Hb(Abramov) 0.1721393E-02 Ex_ueg -0.1358894E-02 Ec_ueg -0.3176974E-03 Delta_ex -0.1563162E-02 Delta_ec 0.4877732E-03 Delta_et -0.3351903E-02 Pxc 0.4277322E+01 Qxc -0.3204691E+01 3,+1 126 3 +1 1.048794 -2.175409 1.405965 Rho 0.2460165E-01 |GRAD(Rho)| 0.2745835E-13 GRAD(Rho)x -0.1464982E-13 GRAD(Rho)y -0.1150783E-13 GRAD(Rho)z 0.2017210E-13 Laplacian 0.9373119E-01 (-1/4)Del**2(Rho)) -0.2343280E-01 Diamond 0.1117922E-01 Metallicity 0.1529923E+01 Ellipticity -0.2869441E+01 Gb(Abramov) 0.2159693E-01 Vb(Abramov) -0.1976105E-01 Hb(Abramov) 0.1835871E-02 Ex_ueg -0.5284502E-02 Ec_ueg -0.1068679E-02 Delta_ex -0.5714565E-02 Delta_ec 0.1429747E-02 Delta_et -0.1261019E-01 Pxc 0.4944892E+01 Qxc -0.3996908E+01 3,+1 127 3 +3 0.006185 -0.000211 -2.348052 Rho 0.4687659E-02 |GRAD(Rho)| 0.6148575E-16 GRAD(Rho)x 0.1983808E-16 GRAD(Rho)y 0.2430223E-16 GRAD(Rho)z 0.5288052E-16 Laplacian 0.1889116E-01 (-1/4)Del**2(Rho)) -0.4722791E-02 Diamond 0.1726192E-03 Metallicity 0.4789401E+00 Ellipticity -0.3046284E+00 Gb(Abramov) 0.3525516E-02 Vb(Abramov) -0.2328242E-02 Hb(Abramov) 0.1197275E-02 Ex_ueg -0.5794195E-03 Ec_ueg -0.1334964E-03 Delta_ex -0.6935833E-03 Delta_ec 0.1768906E-03 Delta_et -0.1112325E-02 Pxc 0.4340339E+01 Qxc -0.3920974E+01 3,+3 128 3 +1 1.013263 -1.430464 2.178796 Rho 0.2541414E-01 |GRAD(Rho)| 0.2310193E-15 GRAD(Rho)x -0.1124023E-15 GRAD(Rho)y -0.1723010E-15 GRAD(Rho)z 0.1051094E-15 Laplacian 0.9748413E-01 (-1/4)Del**2(Rho)) -0.2437103E-01 Diamond 0.1166166E-01 Metallicity 0.1552882E+01 Ellipticity -0.2546135E+01 Gb(Abramov) 0.2255491E-01 Vb(Abramov) -0.2073879E-01 Hb(Abramov) 0.1816123E-02 Ex_ueg -0.5518474E-02 Ec_ueg -0.1109588E-02 Delta_ex -0.5943050E-02 Delta_ec 0.1392465E-02 Delta_et -0.1239863E-01 Pxc 0.4973444E+01 Qxc -0.4268007E+01 3,+1 129 3 +1 0.512412 0.609395 1.704022 Rho 0.7233635E-02 |GRAD(Rho)| 0.9573418E-14 GRAD(Rho)x -0.6937340E-14 GRAD(Rho)y -0.1391754E-14 GRAD(Rho)z -0.6448772E-14 Laplacian 0.2723142E-01 (-1/4)Del**2(Rho)) -0.6807856E-02 Diamond 0.5740112E-03 Metallicity 0.6846529E+00 Ellipticity -0.1411484E+01 Gb(Abramov) 0.5315407E-02 Vb(Abramov) -0.3822958E-02 Hb(Abramov) 0.1492449E-02 Ex_ueg -0.1033222E-02 Ec_ueg -0.2442664E-03 Delta_ex -0.1190110E-02 Delta_ec 0.3813492E-03 Delta_et -0.2494033E-02 Pxc 0.4229901E+01 Qxc -0.3120788E+01 3,+1 130 3 -1 0.071995 3.270060 3.275797 Rho 0.2132173E+00 |GRAD(Rho)| 0.1009830E-14 GRAD(Rho)x 0.5356636E-15 GRAD(Rho)y -0.4207789E-15 GRAD(Rho)z -0.7454974E-15 Laplacian 0.7940468E+00 (-1/4)Del**2(Rho)) -0.1985117E+00 Diamond 0.2437595E+01 Metallicity 0.6603962E+01 Ellipticity 0.5126088E-02 Gb(Abramov) 0.3508351E+00 Vb(Abramov) -0.5031585E+00 Hb(Abramov) -0.1523234E+00 Ex_ueg -0.9407663E-01 Ec_ueg -0.1260739E-01 Delta_ex -0.9304888E-01 Delta_ec 0.1817177E-01 Delta_et -0.2503246E+00 Pxc 0.7462024E+01 Qxc -0.5120518E+01 3,-1 131 3 -1 -0.062435 3.224273 -3.236143 Rho 0.2345889E+00 |GRAD(Rho)| 0.3058368E-10 GRAD(Rho)x -0.7281011E-11 GRAD(Rho)y 0.2180826E-10 GRAD(Rho)z -0.2016800E-10 Laplacian 0.8653540E+00 (-1/4)Del**2(Rho)) -0.2163385E+00 Diamond 0.2970740E+01 Metallicity 0.7105562E+01 Ellipticity 0.6311749E-02 Gb(Abramov) 0.4004268E+00 Vb(Abramov) -0.5845150E+00 Hb(Abramov) -0.1840883E+00 Ex_ueg -0.1068550E+00 Ec_ueg -0.1406586E-01 Delta_ex -0.1038943E+00 Delta_ec 0.1917764E-01 Delta_et -0.2651286E+00 Pxc 0.7596764E+01 Qxc -0.5417473E+01 3,-1 132 3 -1 0.621916 1.836312 2.859675 Rho 0.1181596E+00 |GRAD(Rho)| 0.1907788E-12 GRAD(Rho)x 0.1179404E-12 GRAD(Rho)y -0.1391549E-12 GRAD(Rho)z 0.5587958E-13 Laplacian 0.5090048E+00 (-1/4)Del**2(Rho)) -0.1272512E+00 Diamond 0.7990881E+00 Metallicity 0.3851883E+01 Ellipticity 0.1507194E-01 Gb(Abramov) 0.1665269E+00 Vb(Abramov) -0.2058026E+00 Hb(Abramov) -0.3927573E-01 Ex_ueg -0.4282301E-01 Ec_ueg -0.6437663E-02 Delta_ex -0.5193516E-01 Delta_ec 0.1428095E-01 Delta_et -0.1840288E+00 Pxc 0.6651950E+01 Qxc -0.3636673E+01 3,-1 133 3 +1 1.767886 -1.777907 -1.757468 Rho 0.1195378E-01 |GRAD(Rho)| 0.3593359E-17 GRAD(Rho)x 0.3070735E-18 GRAD(Rho)y 0.3578489E-17 GRAD(Rho)z -0.1111408E-18 Laplacian 0.5845692E-01 (-1/4)Del**2(Rho)) -0.1461423E-01 Diamond 0.2269398E-02 Metallicity 0.7366920E+00 Ellipticity -0.1250071E+01 Gb(Abramov) 0.1153718E-01 Vb(Abramov) -0.8460138E-02 Hb(Abramov) 0.3077045E-02 Ex_ueg -0.2018639E-02 Ec_ueg -0.4574357E-03 Delta_ex -0.2852885E-02 Delta_ec 0.7273341E-03 Delta_et -0.5472855E-02 Pxc 0.4412946E+01 Qxc -0.3922385E+01 3,+1 134 3 +3 1.141677 -1.120640 -1.115984 Rho 0.5118757E-02 |GRAD(Rho)| 0.1163509E-15 GRAD(Rho)x 0.8772798E-16 GRAD(Rho)y -0.6421925E-16 GRAD(Rho)z -0.4143936E-16 Laplacian 0.1948748E-01 (-1/4)Del**2(Rho)) -0.4871870E-02 Diamond 0.1386942E-03 Metallicity 0.5376072E+00 Ellipticity -0.1463241E+00 Gb(Abramov) 0.3684439E-02 Vb(Abramov) -0.2497007E-02 Hb(Abramov) 0.1187431E-02 Ex_ueg -0.6515350E-03 Ec_ueg -0.1520270E-03 Delta_ex -0.6760270E-03 Delta_ec 0.8288497E-04 Delta_et -0.6673356E-03 Pxc 0.4285654E+01 Qxc -0.8156208E+01 3,+3 135 3 -1 0.464833 -0.452840 0.449435 Rho 0.1853257E+00 |GRAD(Rho)| 0.2573995E-14 GRAD(Rho)x -0.1502271E-14 GRAD(Rho)y 0.1575129E-14 GRAD(Rho)z -0.1373901E-14 Laplacian 0.4966575E+00 (-1/4)Del**2(Rho)) -0.1241644E+00 Diamond 0.1321780E+01 Metallicity 0.8358256E+01 Ellipticity 0.4112198E-02 Gb(Abramov) 0.2557425E+00 Vb(Abramov) -0.3873206E+00 Hb(Abramov) -0.1315781E+00 Ex_ueg -0.7803677E-01 Ec_ueg -0.1074206E-01 Delta_ex -0.5640532E-01 Delta_ec 0.1226092E-01 Delta_et -0.1684152E+00 Pxc 0.7264602E+01 Qxc -0.4600414E+01 3,-1 136 3 -1 1.762515 1.757363 -0.545207 Rho 0.4040937E-01 |GRAD(Rho)| 0.5306514E-14 GRAD(Rho)x 0.3237797E-14 GRAD(Rho)y 0.3939621E-14 GRAD(Rho)z 0.1468044E-14 Laplacian 0.1740566E+00 (-1/4)Del**2(Rho)) -0.4351415E-01 Diamond 0.7100439E-01 Metallicity 0.1883907E+01 Ellipticity 0.1656236E-01 Gb(Abramov) 0.4267220E-01 Vb(Abramov) -0.4183026E-01 Hb(Abramov) 0.8419480E-03 Ex_ueg -0.1024144E-01 Ec_ueg -0.1892036E-02 Delta_ex -0.1386814E-01 Delta_ec 0.5700102E-02 Delta_et -0.5686637E-01 Pxc 0.5412921E+01 Qxc -0.2432964E+01 3,-1 137 3 +1 1.692462 0.571044 0.513441 Rho 0.8075469E-02 |GRAD(Rho)| 0.2213408E-14 GRAD(Rho)x -0.1357527E-14 GRAD(Rho)y -0.1331476E-15 GRAD(Rho)z -0.1743149E-14 Laplacian 0.3081143E-01 (-1/4)Del**2(Rho)) -0.7702858E-02 Diamond 0.7628842E-03 Metallicity 0.7269661E+00 Ellipticity -0.1454032E+01 Gb(Abramov) 0.6068525E-02 Vb(Abramov) -0.4434192E-02 Hb(Abramov) 0.1634333E-02 Ex_ueg -0.1196581E-02 Ec_ueg -0.2815726E-03 Delta_ex -0.1388380E-02 Delta_ec 0.4388807E-03 Delta_et -0.2947085E-02 Pxc 0.4249635E+01 Qxc -0.3163456E+01 3,+1 138 3 -1 0.478995 0.485231 -0.511303 Rho 0.1851772E+00 |GRAD(Rho)| 0.3839817E-15 GRAD(Rho)x 0.7632783E-16 GRAD(Rho)y 0.2844947E-15 GRAD(Rho)z -0.2463307E-15 Laplacian 0.5023431E+00 (-1/4)Del**2(Rho)) -0.1255858E+00 Diamond 0.1332982E+01 Metallicity 0.8252620E+01 Ellipticity 0.5063079E-02 Gb(Abramov) 0.2564591E+00 Vb(Abramov) -0.3873325E+00 Hb(Abramov) -0.1308734E+00 Ex_ueg -0.7795340E-01 Ec_ueg -0.1073224E-01 Delta_ex -0.5701967E-01 Delta_ec 0.1236840E-01 Delta_et -0.1697698E+00 Pxc 0.7263477E+01 Qxc -0.4610107E+01 3,-1 139 3 -1 0.089935 -3.236504 -3.223616 Rho 0.2346185E+00 |GRAD(Rho)| 0.1763051E-11 GRAD(Rho)x -0.3872701E-12 GRAD(Rho)y 0.1239659E-11 GRAD(Rho)z 0.1192315E-11 Laplacian 0.8601309E+00 (-1/4)Del**2(Rho)) -0.2150327E+00 Diamond 0.2957687E+01 Metallicity 0.7150213E+01 Ellipticity 0.4794937E-02 Gb(Abramov) 0.3996101E+00 Vb(Abramov) -0.5841875E+00 Hb(Abramov) -0.1845774E+00 Ex_ueg -0.1068730E+00 Ec_ueg -0.1406790E-01 Delta_ex -0.1032949E+00 Delta_ec 0.1910457E-01 Delta_et -0.2643065E+00 Pxc 0.7596942E+01 Qxc -0.5406819E+01 3,-1 140 3 -1 -0.055983 -3.269545 3.262711 Rho 0.2118218E+00 |GRAD(Rho)| 0.4480191E-15 GRAD(Rho)x -0.1108732E-15 GRAD(Rho)y -0.3416321E-15 GRAD(Rho)z 0.2677979E-15 Laplacian 0.7918859E+00 (-1/4)Del**2(Rho)) -0.1979715E+00 Diamond 0.2409869E+01 Metallicity 0.6549905E+01 Ellipticity 0.4349056E-02 Gb(Abramov) 0.3480967E+00 Vb(Abramov) -0.4982219E+00 Hb(Abramov) -0.1501252E+00 Ex_ueg -0.9325653E-01 Ec_ueg -0.1251303E-01 Delta_ex -0.9262651E-01 Delta_ec 0.1813363E-01 Delta_et -0.2496088E+00 Pxc 0.7452756E+01 Qxc -0.5107997E+01 3,-1 141 3 -1 0.565799 1.738404 -1.772896 Rho 0.4796567E-01 |GRAD(Rho)| 0.1487198E-15 GRAD(Rho)x -0.6701576E-16 GRAD(Rho)y 0.5555139E-16 GRAD(Rho)z -0.1205840E-15 Laplacian 0.1956479E+00 (-1/4)Del**2(Rho)) -0.4891198E-01 Diamond 0.9320799E-01 Metallicity 0.2230260E+01 Ellipticity 0.2244572E-01 Gb(Abramov) 0.5078906E-01 Vb(Abramov) -0.5266613E-01 Hb(Abramov) -0.1877075E-02 Ex_ueg -0.1287140E-01 Ec_ueg -0.2302736E-02 Delta_ex -0.1591301E-01 Delta_ec 0.5788554E-02 Delta_et -0.6036789E-01 Pxc 0.5589611E+01 Qxc -0.2749047E+01 3,-1 142 3 +1 1.792094 1.785128 1.805031 Rho 0.1143745E-01 |GRAD(Rho)| 0.4149280E-14 GRAD(Rho)x 0.1733829E-14 GRAD(Rho)y 0.1682064E-14 GRAD(Rho)z -0.3373577E-14 Laplacian 0.5362595E-01 (-1/4)Del**2(Rho)) -0.1340649E-01 Diamond 0.1914743E-02 Metallicity 0.7460830E+00 Ellipticity -0.1251873E+01 Gb(Abramov) 0.1060472E-01 Vb(Abramov) -0.7802946E-02 Hb(Abramov) 0.2801770E-02 Ex_ueg -0.1903228E-02 Ec_ueg -0.4336626E-03 Delta_ex -0.2572903E-02 Delta_ec 0.6426129E-03 Delta_et -0.4804241E-02 Pxc 0.4388731E+01 Qxc -0.4003814E+01 3,+1 143 3 -1 0.551107 -1.834023 -2.799909 Rho 0.1554155E+00 |GRAD(Rho)| 0.1316062E-13 GRAD(Rho)x 0.8472227E-15 GRAD(Rho)y 0.1138813E-13 GRAD(Rho)z 0.6541757E-14 Laplacian 0.6424234E+00 (-1/4)Del**2(Rho)) -0.1606059E+00 Diamond 0.1346973E+01 Metallicity 0.4818913E+01 Ellipticity 0.9160728E-02 Gb(Abramov) 0.2360615E+00 Vb(Abramov) -0.3115172E+00 Hb(Abramov) -0.7545565E-01 Ex_ueg -0.6171313E-01 Ec_ueg -0.8791081E-02 Delta_ex -0.6948599E-01 Delta_ec 0.1596006E-01 Delta_et -0.2130116E+00 Pxc 0.7019970E+01 Qxc -0.4353742E+01 3,-1 144 3 -1 0.602439 2.848655 1.849458 Rho 0.1385081E+00 |GRAD(Rho)| 0.1123613E-14 GRAD(Rho)x -0.7373117E-15 GRAD(Rho)y -0.1416713E-15 GRAD(Rho)z 0.8359470E-15 Laplacian 0.5854244E+00 (-1/4)Del**2(Rho)) -0.1463561E+00 Diamond 0.1097765E+01 Metallicity 0.4364499E+01 Ellipticity 0.1541093E-01 Gb(Abramov) 0.2040326E+00 Vb(Abramov) -0.2617091E+00 Hb(Abramov) -0.5767648E-01 Ex_ueg -0.5292799E-01 Ec_ueg -0.7711977E-02 Delta_ex -0.6187414E-01 Delta_ec 0.1553725E-01 Delta_et -0.2052413E+00 Pxc 0.6863089E+01 Qxc -0.3982310E+01 3,-1 145 3 -1 0.869087 3.024064 -2.045412 Rho 0.1515196E+00 |GRAD(Rho)| 0.4040104E-15 GRAD(Rho)x 0.3622997E-15 GRAD(Rho)y 0.1114831E-15 GRAD(Rho)z 0.1397672E-15 Laplacian 0.5960129E+00 (-1/4)Del**2(Rho)) -0.1490032E+00 Diamond 0.1213673E+01 Metallicity 0.4978962E+01 Ellipticity 0.3690188E-01 Gb(Abramov) 0.2229824E+00 Vb(Abramov) -0.2969615E+00 Hb(Abramov) -0.7397915E-01 Ex_ueg -0.5965911E-01 Ec_ueg -0.8540860E-02 Delta_ex -0.6407799E-01 Delta_ec 0.1492890E-01 Delta_et -0.1986464E+00 Pxc 0.6985140E+01 Qxc -0.4292212E+01 3,-1 146 3 -1 2.835436 1.820513 0.586638 Rho 0.1135772E+00 |GRAD(Rho)| 0.8260412E-16 GRAD(Rho)x -0.6078308E-17 GRAD(Rho)y 0.8216897E-16 GRAD(Rho)z -0.5895349E-17 Laplacian 0.4869625E+00 (-1/4)Del**2(Rho)) -0.1217406E+00 Diamond 0.7311178E+00 Metallicity 0.3769378E+01 Ellipticity 0.2346463E-01 Gb(Abramov) 0.1576415E+00 Vb(Abramov) -0.1935423E+00 Hb(Abramov) -0.3590086E-01 Ex_ueg -0.4062313E-01 Ec_ueg -0.6154608E-02 Delta_ex -0.4925770E-01 Delta_ec 0.1384129E-01 Delta_et -0.1771293E+00 Pxc 0.6600440E+01 Qxc -0.3558752E+01 3,-1 147 3 -1 0.865396 -3.043782 2.000907 Rho 0.1177833E+00 |GRAD(Rho)| 0.7947824E-15 GRAD(Rho)x -0.6699285E-15 GRAD(Rho)y 0.2636102E-15 GRAD(Rho)z 0.3367261E-15 Laplacian 0.4825137E+00 (-1/4)Del**2(Rho)) -0.1206284E+00 Diamond 0.7556314E+00 Metallicity 0.4041817E+01 Ellipticity 0.1061590E-01 Gb(Abramov) 0.1616786E+00 Vb(Abramov) -0.2027288E+00 Hb(Abramov) -0.4105020E-01 Ex_ueg -0.4264128E-01 Ec_ueg -0.6414364E-02 Delta_ex -0.4920942E-01 Delta_ec 0.1357289E-01 Delta_et -0.1748403E+00 Pxc 0.6647780E+01 Qxc -0.3625566E+01 3,-1 148 3 -1 0.560028 -2.799978 -1.816423 Rho 0.1290335E+00 |GRAD(Rho)| 0.9950489E-16 GRAD(Rho)x 0.4176889E-16 GRAD(Rho)y 0.1059130E-16 GRAD(Rho)z 0.8969062E-16 Laplacian 0.5354950E+00 (-1/4)Del**2(Rho)) -0.1338737E+00 Diamond 0.9043259E+00 Metallicity 0.4239960E+01 Ellipticity 0.1046564E-01 Gb(Abramov) 0.1838524E+00 Vb(Abramov) -0.2338310E+00 Hb(Abramov) -0.4997863E-01 Ex_ueg -0.4815650E-01 Ec_ueg -0.7115191E-02 Delta_ex -0.5542249E-01 Delta_ec 0.1406533E-01 Delta_et -0.1829615E+00 Pxc 0.6768124E+01 Qxc -0.3940363E+01 3,-1 149 3 -1 0.882252 2.019624 -3.079571 Rho 0.1628048E+00 |GRAD(Rho)| 0.3441927E-15 GRAD(Rho)x -0.2607235E-15 GRAD(Rho)y 0.2140622E-15 GRAD(Rho)z 0.6833184E-16 Laplacian 0.6242741E+00 (-1/4)Del**2(Rho)) -0.1560685E+00 Diamond 0.1397013E+01 Metallicity 0.5358168E+01 Ellipticity 0.3563128E-01 Gb(Abramov) 0.2434192E+00 Vb(Abramov) -0.3307700E+00 Hb(Abramov) -0.8735072E-01 Ex_ueg -0.6565601E-01 Ec_ueg -0.9268179E-02 Delta_ex -0.6842235E-01 Delta_ec 0.1553433E-01 Delta_et -0.2090858E+00 Pxc 0.7084025E+01 Qxc -0.4404588E+01 3,-1 150 3 -1 1.808103 -2.801254 -0.558516 Rho 0.1413628E+00 |GRAD(Rho)| 0.1427971E-15 GRAD(Rho)x -0.1642566E-16 GRAD(Rho)y -0.1399231E-15 GRAD(Rho)z 0.2329679E-16 Laplacian 0.5855204E+00 (-1/4)Del**2(Rho)) -0.1463801E+00 Diamond 0.1099204E+01 Metallicity 0.4514706E+01 Ellipticity 0.1132194E-01 Gb(Abramov) 0.2077306E+00 Vb(Abramov) -0.2690811E+00 Hb(Abramov) -0.6135048E-01 Ex_ueg -0.5438741E-01 Ec_ueg -0.7892919E-02 Delta_ex -0.6191073E-01 Delta_ec 0.1496358E-01 Delta_et -0.1972647E+00 Pxc 0.6890659E+01 Qxc -0.4137427E+01 3,-1 151 3 +1 2.013662 -2.034668 2.030176 Rho 0.1194013E-01 |GRAD(Rho)| 0.7166967E-17 GRAD(Rho)x 0.1092414E-17 GRAD(Rho)y -0.2258177E-17 GRAD(Rho)z -0.6713620E-17 Laplacian 0.5449234E-01 (-1/4)Del**2(Rho)) -0.1362309E-01 Diamond 0.1678572E-02 Metallicity 0.7887868E+00 Ellipticity -0.1117065E+01 Gb(Abramov) 0.1087301E-01 Vb(Abramov) -0.8122932E-02 Hb(Abramov) 0.2750077E-02 Ex_ueg -0.2015567E-02 Ec_ueg -0.4568060E-03 Delta_ex -0.2532456E-02 Delta_ec 0.4527958E-03 Delta_et -0.3587169E-02 Pxc 0.4412304E+01 Qxc -0.5592932E+01 3,+1 152 3 +1 2.980570 0.151032 -0.159503 Rho 0.5008237E-02 |GRAD(Rho)| 0.9298364E-17 GRAD(Rho)x -0.4202839E-18 GRAD(Rho)y 0.6639549E-17 GRAD(Rho)z 0.6496100E-17 Laplacian 0.1946226E-01 (-1/4)Del**2(Rho)) -0.4865565E-02 Diamond 0.4215803E-03 Metallicity 0.5190725E+00 Ellipticity -0.2607915E+01 Gb(Abramov) 0.3664640E-02 Vb(Abramov) -0.2463715E-02 Hb(Abramov) 0.1200925E-02 Ex_ueg -0.6328462E-03 Ec_ueg -0.1472673E-03 Delta_ex -0.9371107E-03 Delta_ec 0.5577884E-03 Delta_et -0.3053015E-02 Pxc 0.4297263E+01 Qxc -0.1680047E+01 3,+1 153 3 -1 1.853128 2.847264 0.582641 Rho 0.1233875E+00 |GRAD(Rho)| 0.1750214E-15 GRAD(Rho)x -0.1829591E-16 GRAD(Rho)y -0.1529132E-15 GRAD(Rho)z -0.8315831E-16 Laplacian 0.5274843E+00 (-1/4)Del**2(Rho)) -0.1318711E+00 Diamond 0.8683824E+00 Metallicity 0.3995049E+01 Ellipticity 0.2203872E-01 Gb(Abramov) 0.1757193E+00 Vb(Abramov) -0.2195675E+00 Hb(Abramov) -0.4384822E-01 Ex_ueg -0.4536768E-01 Ec_ueg -0.6762391E-02 Delta_ex -0.5432284E-01 Delta_ec 0.1456158E-01 Delta_et -0.1889744E+00 Pxc 0.6708822E+01 Qxc -0.3730560E+01 3,-1 154 3 -1 1.731353 -0.510933 1.748313 Rho 0.4288138E-01 |GRAD(Rho)| 0.5283897E-09 GRAD(Rho)x 0.3526556E-09 GRAD(Rho)y 0.1760101E-09 GRAD(Rho)z 0.3519235E-09 Laplacian 0.1723590E+00 (-1/4)Del**2(Rho)) -0.4308974E-01 Diamond 0.7017980E-01 Metallicity 0.2100360E+01 Ellipticity 0.2816046E-01 Gb(Abramov) 0.4381050E-01 Vb(Abramov) -0.4453125E-01 Hb(Abramov) -0.7207509E-03 Ex_ueg -0.1108520E-01 Ec_ueg -0.2025336E-02 Delta_ex -0.1361353E-01 Delta_ec 0.5072483E-02 Delta_et -0.5135036E-01 Pxc 0.5473263E+01 Qxc -0.2683801E+01 3,-1 155 3 -1 2.014645 -3.027722 0.849597 Rho 0.1487502E+00 |GRAD(Rho)| 0.7055126E-15 GRAD(Rho)x 0.3288792E-15 GRAD(Rho)y 0.4087036E-15 GRAD(Rho)z -0.4717499E-15 Laplacian 0.5897106E+00 (-1/4)Del**2(Rho)) -0.1474276E+00 Diamond 0.1175774E+01 Metallicity 0.4879815E+01 Ellipticity 0.3122664E-01 Gb(Abramov) 0.2181884E+00 Vb(Abramov) -0.2889491E+00 Hb(Abramov) -0.7076073E-01 Ex_ueg -0.5820965E-01 Ec_ueg -0.8363555E-02 Delta_ex -0.6312553E-01 Delta_ec 0.1486168E-01 Delta_et -0.1973068E+00 Pxc 0.6959918E+01 Qxc -0.4247536E+01 3,-1 156 3 -1 2.026002 0.883537 -3.058239 Rho 0.1041224E+00 |GRAD(Rho)| 0.1751430E-15 GRAD(Rho)x -0.1410208E-15 GRAD(Rho)y 0.1030670E-15 GRAD(Rho)z -0.1286135E-16 Laplacian 0.4311969E+00 (-1/4)Del**2(Rho)) -0.1077992E+00 Diamond 0.5812710E+00 Metallicity 0.3682798E+01 Ellipticity 0.8555041E-02 Gb(Abramov) 0.1380333E+00 Vb(Abramov) -0.1682673E+00 Hb(Abramov) -0.3023405E-01 Ex_ueg -0.3617795E-01 Ec_ueg -0.5575442E-02 Delta_ex -0.4271463E-01 Delta_ec 0.1244352E-01 Delta_et -0.1564921E+00 Pxc 0.6488804E+01 Qxc -0.3432680E+01 3,-1 157 3 +1 2.215741 1.397400 -1.109740 Rho 0.2539331E-01 |GRAD(Rho)| 0.1527407E-15 GRAD(Rho)x 0.1176193E-15 GRAD(Rho)y 0.9529614E-16 GRAD(Rho)z 0.2034913E-16 Laplacian 0.9485322E-01 (-1/4)Del**2(Rho)) -0.2371331E-01 Diamond 0.1248515E-01 Metallicity 0.1593773E+01 Ellipticity -0.4315398E+01 Gb(Abramov) 0.2210781E-01 Vb(Abramov) -0.2050231E-01 Hb(Abramov) 0.1605497E-02 Ex_ueg -0.5512442E-02 Ec_ueg -0.1108537E-02 Delta_ex -0.5903797E-02 Delta_ec 0.1573488E-02 Delta_et -0.1395051E-01 Pxc 0.4972719E+01 Qxc -0.3752045E+01 3,+1 158 3 -1 3.004612 -0.855894 2.004175 Rho 0.1275698E+00 |GRAD(Rho)| 0.2989482E-15 GRAD(Rho)x -0.6989716E-16 GRAD(Rho)y -0.1193842E-15 GRAD(Rho)z -0.2650129E-15 Laplacian 0.5010267E+00 (-1/4)Del**2(Rho)) -0.1252567E+00 Diamond 0.8363700E+00 Metallicity 0.4446300E+01 Ellipticity 0.3172798E-01 Gb(Abramov) 0.1763259E+00 Vb(Abramov) -0.2273951E+00 Hb(Abramov) -0.5106922E-01 Ex_ueg -0.4742953E-01 Ec_ueg -0.7023524E-02 Delta_ex -0.5173480E-01 Delta_ec 0.1323493E-01 Delta_et -0.1719091E+00 Pxc 0.6752954E+01 Qxc -0.3908958E+01 3,-1 159 3 -1 1.724760 -1.727091 0.534755 Rho 0.4210965E-01 |GRAD(Rho)| 0.4893601E-16 GRAD(Rho)x 0.2435220E-19 GRAD(Rho)y 0.3645503E-16 GRAD(Rho)z -0.3264603E-16 Laplacian 0.1674426E+00 (-1/4)Del**2(Rho)) -0.4186065E-01 Diamond 0.6615842E-01 Metallicity 0.2097570E+01 Ellipticity 0.1246051E-01 Gb(Abramov) 0.4254138E-01 Vb(Abramov) -0.4322211E-01 Hb(Abramov) -0.6807260E-03 Ex_ueg -0.1082000E-01 Ec_ueg -0.1983606E-02 Delta_ex -0.1314612E-01 Delta_ec 0.4893927E-02 Delta_et -0.4929829E-01 Pxc 0.5454710E+01 Qxc -0.2686210E+01 3,-1 160 3 +3 1.909554 -1.935832 1.931812 Rho 0.1187563E-01 |GRAD(Rho)| 0.1316446E-16 GRAD(Rho)x -0.1143035E-16 GRAD(Rho)y 0.9545585E-18 GRAD(Rho)z -0.6460554E-17 Laplacian 0.5357837E-01 (-1/4)Del**2(Rho)) -0.1339459E-01 Diamond 0.1250817E-02 Metallicity 0.7950318E+00 Ellipticity -0.8200924E+00 Gb(Abramov) 0.1070458E-01 Vb(Abramov) -0.8014574E-02 Hb(Abramov) 0.2690010E-02 Ex_ueg -0.2001061E-02 Ec_ueg -0.4538305E-03 Delta_ex -0.2372744E-02 Delta_ec 0.2425877E-03 Delta_et -0.2164302E-02 Pxc 0.4409270E+01 Qxc -0.9780974E+01 3,+3 161 3 -1 2.010728 3.044833 -0.881737 Rho 0.1114171E+00 |GRAD(Rho)| 0.2600738E-16 GRAD(Rho)x 0.1316628E-16 GRAD(Rho)y -0.8870129E-17 GRAD(Rho)z -0.2059984E-16 Laplacian 0.4535101E+00 (-1/4)Del**2(Rho)) -0.1133775E+00 Diamond 0.6647083E+00 Metallicity 0.3919940E+01 Ellipticity 0.4444220E-02 Gb(Abramov) 0.1496572E+00 Vb(Abramov) -0.1859369E+00 Hb(Abramov) -0.3627968E-01 Ex_ueg -0.3959627E-01 Ec_ueg -0.6021705E-02 Delta_ex -0.4565911E-01 Delta_ec 0.1292949E-01 Delta_et -0.1648304E+00 Pxc 0.6575592E+01 Qxc -0.3531394E+01 3,-1 162 3 -1 2.023467 -0.837538 3.024095 Rho 0.1518851E+00 |GRAD(Rho)| 0.4401436E-12 GRAD(Rho)x 0.2080230E-12 GRAD(Rho)y 0.3182977E-12 GRAD(Rho)z -0.2216741E-12 Laplacian 0.5959085E+00 (-1/4)Del**2(Rho)) -0.1489771E+00 Diamond 0.1221009E+01 Metallicity 0.4999874E+01 Ellipticity 0.2676671E-01 Gb(Abramov) 0.2234626E+00 Vb(Abramov) -0.2979480E+00 Hb(Abramov) -0.7448544E-01 Ex_ueg -0.5985110E-01 Ec_ueg -0.8564300E-02 Delta_ex -0.6414437E-01 Delta_ec 0.1498780E-01 Delta_et -0.1996622E+00 Pxc 0.6988441E+01 Qxc -0.4279771E+01 3,-1 163 3 -1 1.830855 -0.579951 -2.798133 Rho 0.1095097E+00 |GRAD(Rho)| 0.2745096E-15 GRAD(Rho)x 0.1908196E-15 GRAD(Rho)y 0.1865505E-15 GRAD(Rho)z 0.6436095E-16 Laplacian 0.4765255E+00 (-1/4)Del**2(Rho)) -0.1191314E+00 Diamond 0.6830587E+00 Metallicity 0.3624777E+01 Ellipticity 0.1934252E-01 Gb(Abramov) 0.1513917E+00 Vb(Abramov) -0.1836520E+00 Hb(Abramov) -0.3226031E-01 Ex_ueg -0.3869502E-01 Ec_ueg -0.5904631E-02 Delta_ex -0.4776808E-01 Delta_ec 0.1361074E-01 Delta_et -0.1728992E+00 Pxc 0.6553335E+01 Qxc -0.3509587E+01 3,-1 164 3 -1 2.836663 -0.590790 -1.816012 Rho 0.1189124E+00 |GRAD(Rho)| 0.9402144E-15 GRAD(Rho)x -0.8413070E-16 GRAD(Rho)y 0.7139471E-15 GRAD(Rho)z -0.6059741E-15 Laplacian 0.5106331E+00 (-1/4)Del**2(Rho)) -0.1276583E+00 Diamond 0.8107959E+00 Metallicity 0.3880455E+01 Ellipticity 0.1744847E-01 Gb(Abramov) 0.1676675E+00 Vb(Abramov) -0.2076768E+00 Hb(Abramov) -0.4000927E-01 Ex_ueg -0.4318714E-01 Ec_ueg -0.6484302E-02 Delta_ex -0.5222014E-01 Delta_ec 0.1437874E-01 Delta_et -0.1856187E+00 Pxc 0.6660260E+01 Qxc -0.3631761E+01 3,-1 165 3 -1 2.817127 0.561129 1.846045 Rho 0.1519795E+00 |GRAD(Rho)| 0.6531352E-15 GRAD(Rho)x -0.3706819E-15 GRAD(Rho)y -0.7552823E-16 GRAD(Rho)z 0.5324246E-15 Laplacian 0.6328444E+00 (-1/4)Del**2(Rho)) -0.1582111E+00 Diamond 0.1289770E+01 Metallicity 0.4712934E+01 Ellipticity 0.8753909E-02 Gb(Abramov) 0.2297471E+00 Vb(Abramov) -0.3012832E+00 Hb(Abramov) -0.7153603E-01 Ex_ueg -0.5990069E-01 Ec_ueg -0.8570352E-02 Delta_ex -0.6805341E-01 Delta_ec 0.1577646E-01 Delta_et -0.2098603E+00 Pxc 0.6989291E+01 Qxc -0.4313604E+01 3,-1 166 3 -1 3.079211 0.871430 -2.027282 Rho 0.1352275E+00 |GRAD(Rho)| 0.1700130E-15 GRAD(Rho)x 0.2774202E-16 GRAD(Rho)y 0.1466383E-15 GRAD(Rho)z -0.8143714E-16 Laplacian 0.5443915E+00 (-1/4)Del**2(Rho)) -0.1360979E+00 Diamond 0.9924260E+00 Metallicity 0.4509657E+01 Ellipticity 0.1375337E-01 Gb(Abramov) 0.1930244E+00 Vb(Abramov) -0.2499509E+00 Hb(Abramov) -0.5692651E-01 Ex_ueg -0.5126313E-01 Ec_ueg -0.7504678E-02 Delta_ex -0.5721192E-01 Delta_ec 0.1454325E-01 Delta_et -0.1913992E+00 Pxc 0.6830824E+01 Qxc -0.3933915E+01 3,-1 167 3 -1 3.276470 3.270422 0.059685 Rho 0.2108063E+00 |GRAD(Rho)| 0.4194410E-15 GRAD(Rho)x 0.4093947E-15 GRAD(Rho)y 0.6678685E-16 GRAD(Rho)z 0.6217899E-16 Laplacian 0.7888471E+00 (-1/4)Del**2(Rho)) -0.1972118E+00 Diamond 0.2387212E+01 Metallicity 0.6522682E+01 Ellipticity 0.4841458E-02 Gb(Abramov) 0.3458661E+00 Vb(Abramov) -0.4945205E+00 Hb(Abramov) -0.1486544E+00 Ex_ueg -0.9266088E-01 Ec_ueg -0.1244443E-01 Delta_ex -0.9215970E-01 Delta_ec 0.1809317E-01 Delta_et -0.2489906E+00 Pxc 0.7445974E+01 Qxc -0.5093618E+01 3,-1 168 3 -1 3.215583 -3.230386 -0.064921 Rho 0.2357071E+00 |GRAD(Rho)| 0.5149378E-15 GRAD(Rho)x -0.3876023E-15 GRAD(Rho)y 0.3264533E-15 GRAD(Rho)z 0.9139824E-16 Laplacian 0.8593612E+00 (-1/4)Del**2(Rho)) -0.2148403E+00 Diamond 0.2976029E+01 Metallicity 0.7212049E+01 Ellipticity 0.3346525E-02 Gb(Abramov) 0.4014667E+00 Vb(Abramov) -0.5880930E+00 Hb(Abramov) -0.1866264E+00 Ex_ueg -0.1075347E+00 Ec_ueg -0.1414287E-01 Delta_ex -0.1033515E+00 Delta_ec 0.1910514E-01 Delta_et -0.2645504E+00 Pxc 0.7603461E+01 Qxc -0.5409620E+01 3,-1 169 3 -1 3.000511 -2.008807 0.853144 Rho 0.1420441E+00 |GRAD(Rho)| 0.4699527E-15 GRAD(Rho)x -0.4728477E-16 GRAD(Rho)y -0.2595444E-15 GRAD(Rho)z -0.3889169E-15 Laplacian 0.5540032E+00 (-1/4)Del**2(Rho)) -0.1385008E+00 Diamond 0.1052153E+01 Metallicity 0.4809940E+01 Ellipticity 0.4004690E-01 Gb(Abramov) 0.2033640E+00 Vb(Abramov) -0.2682271E+00 Hb(Abramov) -0.6486315E-01 Ex_ueg -0.5473722E-01 Ec_ueg -0.7936184E-02 Delta_ex -0.5871234E-01 Delta_ec 0.1425795E-01 Delta_et -0.1883451E+00 Pxc 0.6897171E+01 Qxc -0.4117866E+01 3,-1 170 3 -1 2.806944 -1.845730 -0.560203 Rho 0.1507944E+00 |GRAD(Rho)| 0.6755778E-14 GRAD(Rho)x 0.6431047E-14 GRAD(Rho)y -0.1944571E-14 GRAD(Rho)z -0.7076859E-15 Laplacian 0.6310006E+00 (-1/4)Del**2(Rho)) -0.1577502E+00 Diamond 0.1276979E+01 Metallicity 0.4665437E+01 Ellipticity 0.8835955E-02 Gb(Abramov) 0.2278290E+00 Vb(Abramov) -0.2979078E+00 Hb(Abramov) -0.7007884E-01 Ex_ueg -0.5927873E-01 Ec_ueg -0.8494390E-02 Delta_ex -0.6775384E-01 Delta_ec 0.1581440E-01 Delta_et -0.2102695E+00 Pxc 0.6978574E+01 Qxc -0.4284313E+01 3,-1 171 3 -1 3.071933 2.028667 -0.876178 Rho 0.1209941E+00 |GRAD(Rho)| 0.2542385E-09 GRAD(Rho)x 0.1109992E-09 GRAD(Rho)y -0.1362521E-09 GRAD(Rho)z -0.1837164E-09 Laplacian 0.4939362E+00 (-1/4)Del**2(Rho)) -0.1234840E+00 Diamond 0.7901885E+00 Metallicity 0.4129358E+01 Ellipticity 0.3711398E-02 Gb(Abramov) 0.1673077E+00 Vb(Abramov) -0.2111313E+00 Hb(Abramov) -0.4382363E-01 Ex_ueg -0.4419813E-01 Ec_ueg -0.6613490E-02 Delta_ex -0.5057867E-01 Delta_ec 0.1360161E-01 Delta_et -0.1757458E+00 Pxc 0.6683027E+01 Qxc -0.3718580E+01 3,-1 172 3 -1 3.253595 0.050125 3.224978 Rho 0.2347299E+00 |GRAD(Rho)| 0.3077562E-15 GRAD(Rho)x 0.1536314E-15 GRAD(Rho)y 0.6093216E-16 GRAD(Rho)z 0.2596122E-15 Laplacian 0.8568689E+00 (-1/4)Del**2(Rho)) -0.2142172E+00 Diamond 0.2951386E+01 Metallicity 0.7183116E+01 Ellipticity 0.4551351E-02 Gb(Abramov) 0.3992693E+00 Vb(Abramov) -0.5843214E+00 Hb(Abramov) -0.1850521E+00 Ex_ueg -0.1069407E+00 Ec_ueg -0.1407557E-01 Delta_ex -0.1029337E+00 Delta_ec 0.1906110E-01 Delta_et -0.2638459E+00 Pxc 0.7597611E+01 Qxc -0.5400196E+01 3,-1 173 3 -1 -3.255053 -0.054453 3.236476 Rho 0.2353563E+00 |GRAD(Rho)| 0.6602013E-14 GRAD(Rho)x 0.6075977E-14 GRAD(Rho)y -0.1966594E-14 GRAD(Rho)z -0.1673791E-14 Laplacian 0.8546292E+00 (-1/4)Del**2(Rho)) -0.2136573E+00 Diamond 0.2957221E+01 Metallicity 0.7234000E+01 Ellipticity 0.4509156E-02 Gb(Abramov) 0.4000377E+00 Vb(Abramov) -0.5864181E+00 Hb(Abramov) -0.1863804E+00 Ex_ueg -0.1073214E+00 Ec_ueg -0.1411870E-01 Delta_ex -0.1027583E+00 Delta_ec 0.1903634E-01 Delta_et -0.2637031E+00 Pxc 0.7601364E+01 Qxc -0.5398007E+01 3,-1 174 3 -1 -2.999191 0.853879 2.006538 Rho 0.1162054E+00 |GRAD(Rho)| 0.1641055E-13 GRAD(Rho)x 0.6464630E-14 GRAD(Rho)y -0.1152029E-13 GRAD(Rho)z 0.9736407E-14 Laplacian 0.4562837E+00 (-1/4)Del**2(Rho)) -0.1140709E+00 Diamond 0.6809640E+00 Metallicity 0.4179155E+01 Ellipticity 0.3419238E-01 Gb(Abramov) 0.1555006E+00 Vb(Abramov) -0.1969303E+00 Hb(Abramov) -0.4142970E-01 Ex_ueg -0.4188128E-01 Ec_ueg -0.6316765E-02 Delta_ex -0.4607769E-01 Delta_ec 0.1232227E-01 Delta_et -0.1575069E+00 Pxc 0.6630178E+01 Qxc -0.3739384E+01 3,-1 175 3 -1 -2.812452 0.582214 -1.834248 Rho 0.9936317E-01 |GRAD(Rho)| 0.3213424E-15 GRAD(Rho)x -0.1510497E-15 GRAD(Rho)y 0.1786630E-15 GRAD(Rho)z 0.2202828E-15 Laplacian 0.4251858E+00 (-1/4)Del**2(Rho)) -0.1062965E+00 Diamond 0.5497768E+00 Metallicity 0.3454698E+01 Ellipticity 0.4137905E-02 Gb(Abramov) 0.1320680E+00 Vb(Abramov) -0.1578395E+00 Hb(Abramov) -0.2577154E-01 Ex_ueg -0.3399009E-01 Ec_ueg -0.5286491E-02 Delta_ex -0.4180560E-01 Delta_ec 0.1264370E-01 Delta_et -0.1577926E+00 Pxc 0.6429612E+01 Qxc -0.3306438E+01 3,-1 176 3 -1 -2.764257 1.823990 -0.553227 Rho 0.1670114E+00 |GRAD(Rho)| 0.2261435E-15 GRAD(Rho)x -0.6432029E-16 GRAD(Rho)y 0.2167591E-15 GRAD(Rho)z -0.4391019E-17 Laplacian 0.7159072E+00 (-1/4)Del**2(Rho)) -0.1789768E+00 Diamond 0.1616705E+01 Metallicity 0.4875283E+01 Ellipticity 0.2919684E-01 Gb(Abramov) 0.2647449E+00 Vb(Abramov) -0.3505131E+00 Hb(Abramov) -0.8576816E-01 Ex_ueg -0.6792763E-01 Ec_ueg -0.9541236E-02 Delta_ex -0.7866136E-01 Delta_ec 0.1715616E-01 Delta_et -0.2301797E+00 Pxc 0.7119374E+01 Qxc -0.4585023E+01 3,-1 177 3 -1 -0.862066 3.046989 2.008604 Rho 0.1023622E+00 |GRAD(Rho)| 0.1899072E-14 GRAD(Rho)x 0.5365446E-16 GRAD(Rho)y 0.9144839E-15 GRAD(Rho)z -0.1663525E-14 Laplacian 0.4268554E+00 (-1/4)Del**2(Rho)) -0.1067138E+00 Diamond 0.5651534E+00 Metallicity 0.3616029E+01 Ellipticity 0.1271843E-01 Gb(Abramov) 0.1354560E+00 Vb(Abramov) -0.1641981E+00 Hb(Abramov) -0.2874211E-01 Ex_ueg -0.3536481E-01 Ec_ueg -0.5468368E-02 Delta_ex -0.4214203E-01 Delta_ec 0.1240694E-01 Delta_et -0.1555492E+00 Pxc 0.6467160E+01 Qxc -0.3396649E+01 3,-1 178 3 -1 1.852310 0.576305 2.853334 Rho 0.1512218E+00 |GRAD(Rho)| 0.4476198E-15 GRAD(Rho)x 0.2452465E-15 GRAD(Rho)y -0.3733179E-15 GRAD(Rho)z -0.2917859E-16 Laplacian 0.6182298E+00 (-1/4)Del**2(Rho)) -0.1545575E+00 Diamond 0.1260786E+01 Metallicity 0.4784325E+01 Ellipticity 0.1013027E-01 Gb(Abramov) 0.2262805E+00 Vb(Abramov) -0.2980035E+00 Hb(Abramov) -0.7172304E-01 Ex_ueg -0.5950284E-01 Ec_ueg -0.8521775E-02 Delta_ex -0.6648205E-01 Delta_ec 0.1557822E-01 Delta_et -0.2074323E+00 Pxc 0.6982447E+01 Qxc -0.4267627E+01 3,-1 179 3 -1 3.269251 -0.083608 -3.259522 Rho 0.2115548E+00 |GRAD(Rho)| 0.1876045E-15 GRAD(Rho)x 0.6125742E-17 GRAD(Rho)y 0.4147073E-17 GRAD(Rho)z -0.1874586E-15 Laplacian 0.7945648E+00 (-1/4)Del**2(Rho)) -0.1986412E+00 Diamond 0.2411151E+01 Metallicity 0.6514116E+01 Ellipticity 0.4466652E-02 Gb(Abramov) 0.3480894E+00 Vb(Abramov) -0.4975377E+00 Hb(Abramov) -0.1494482E+00 Ex_ueg -0.9309986E-01 Ec_ueg -0.1249499E-01 Delta_ex -0.9288950E-01 Delta_ec 0.1816536E-01 Delta_et -0.2498896E+00 Pxc 0.7450976E+01 Qxc -0.5113553E+01 3,-1 180 3 -1 -3.234637 0.066305 -3.288103 Rho 0.2121854E+00 |GRAD(Rho)| 0.9623186E-13 GRAD(Rho)x 0.6547226E-13 GRAD(Rho)y -0.2119713E-13 GRAD(Rho)z 0.6726542E-13 Laplacian 0.8003896E+00 (-1/4)Del**2(Rho)) -0.2000974E+00 Diamond 0.2436158E+01 Metallicity 0.6498867E+01 Ellipticity 0.5998863E-02 Gb(Abramov) 0.3501327E+00 Vb(Abramov) -0.5001679E+00 Hb(Abramov) -0.1500353E+00 Ex_ueg -0.9347005E-01 Ec_ueg -0.1253760E-01 Delta_ex -0.9363357E-01 Delta_ec 0.1826781E-01 Delta_et -0.2512894E+00 Pxc 0.7455177E+01 Qxc -0.5125603E+01 3,-1 181 3 -1 -1.852236 -0.577028 2.865508 Rho 0.1635126E+00 |GRAD(Rho)| 0.1983974E-14 GRAD(Rho)x -0.1591826E-14 GRAD(Rho)y 0.1065689E-14 GRAD(Rho)z 0.5162835E-15 Laplacian 0.6669582E+00 (-1/4)Del**2(Rho)) -0.1667395E+00 Diamond 0.1490659E+01 Metallicity 0.5051651E+01 Ellipticity 0.1165309E-01 Gb(Abramov) 0.2515447E+00 Vb(Abramov) -0.3363499E+00 Hb(Abramov) -0.8480516E-01 Ex_ueg -0.6603691E-01 Ec_ueg -0.9314054E-02 Delta_ex -0.7309365E-01 Delta_ec 0.1642485E-01 Delta_et -0.2207915E+00 Pxc 0.7090029E+01 Qxc -0.4450186E+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 78 108 110 118 81 147 140 109 143 148 106 101 139 141 120 121 149 145 131 113 132 144 102 177 130 159 170 150 169 155 168 136 146 153 171 161 167 96 176 94 70 95 65 61 73 83 67 58 66 88 175 84 76 93 180 86 80 181 174 87 173 154 165 178 158 162 172 60 164 163 166 156 179 135 99 138 114 117 74 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 21 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 23 54 2.461714 2.041962 1.947912 2.040478 2.013464 1.791624 2.404158 1.902729 1.973353 1.933948 1.929337 1.752067 2.381824 1.902066 2.034870 1.893611 1.921644 1.751921 2.490411 2.001457 1.944103 2.037681 2.065466 1.789224 2.440016 1.913074 1.937613 1.946325 1.927847 1.750375 2.443835 2.017861 1.988194 2.005761 2.036654 1.793509 2.272733 1.873331 1.890795 1.918685 1.894870 1.915178 2.444413 2.026857 1.981959 2.009186 2.029973 1.793505 2.413542 2.071824 2.027455 1.956686 2.008550 1.790691 2.466269 1.904250 1.882629 2.025524 1.922833 1.751032 2.428302 1.910773 1.913095 1.988452 1.920993 1.751951 2.425144 1.999378 2.032121 1.962785 2.060772 1.792052 1.700461 1.698967 1.699880 1.719867 3.295442 0.978644 2.463827 2.042149 1.948116 2.040779 2.013805 1.791632 2.405942 1.903070 1.973754 1.934439 1.929906 1.752077 2.383609 1.902429 2.035197 1.894004 1.922219 1.751929 2.492222 2.001735 1.944304 2.037993 2.065657 1.789227 2.441561 1.913419 1.938071 1.946905 1.928393 1.750382 2.445819 2.018140 1.988360 2.006085 2.036942 1.793509 2.274215 1.873814 1.891425 1.919410 1.895495 1.916207 2.446447 2.027067 1.982124 2.009520 2.030254 1.793509 2.415749 2.071957 2.027677 1.957003 2.008929 1.790702 2.467656 1.904598 1.882908 2.025847 1.923374 1.751041 2.429980 1.911134 1.913419 1.989020 1.921517 1.751959 2.427019 1.999635 2.032325 1.963096 2.061090 1.792056 1.700463 1.698970 1.699886 1.719911 3.300838 0.978844 31 29 24 26 24 23 30 26 25 27 28 22 27 25 26 24 25 22 30 25 26 27 24 24 27 24 25 25 25 21 27 24 25 24 25 22 29 23 26 25 28 25 28 27 25 25 27 23 30 25 26 26 26 23 29 26 25 24 27 22 27 26 25 24 25 22 29 27 25 25 25 22 21 23 20 24 35 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 54 Ta W W Ta W Ta W Ta Ta W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H 2.2243 2.4336 2.4423 2.2190 2.4357 2.2159 2.5800 2.2153 2.2286 2.4373 2.4395 2.2186 -1.1068 -1.1172 -1.1187 -1.1193 -0.9840 -0.9834 -0.9508 -0.9863 -0.9800 -0.9891 -0.9830 -0.9792 -0.9464 -1.0155 -1.0137 -0.9717 -0.9900 -1.0352 -1.0372 -0.9769 -1.0067 -0.9927 -1.0102 -1.0056 -1.0064 -0.9792 -1.0053 -1.0030 -0.9398 -0.8417 -0.8390 -0.9338 -0.8365 -0.9456 -0.7701 -0.9456 -0.9329 -0.8404 -0.8426 -0.9392 2.5232 0.2874 2.1043 2.1077 2.1036 2.1049 2.1028 2.1105 2.0866 2.1107 2.1032 2.1024 2.1051 2.1061 1.9389 1.9379 1.9375 1.9356 1.9282 1.9278 1.9367 1.9278 1.9289 1.9275 1.9286 1.9299 1.9343 1.9235 1.9238 1.9287 1.9372 1.9305 1.9302 1.9395 1.9358 1.9385 1.9354 1.9356 1.9356 1.9408 1.9355 1.9361 1.9420 1.9584 1.9586 1.9434 1.9593 1.9411 1.8786 1.9411 1.9427 1.9599 1.9588 1.9417 0.8307 0.6056 6.0763 6.1010 6.0961 6.0788 6.1020 6.0800 6.0845 6.0804 6.0730 6.1013 6.1010 6.0757 5.1305 5.1418 5.1435 5.1456 5.0290 5.0284 4.9859 5.0319 5.0244 5.0343 5.0278 5.0214 4.9829 5.0675 5.0654 5.0146 5.0230 5.0791 5.0814 5.0075 5.0434 5.0249 5.0473 5.0414 5.0432 5.0097 5.0413 5.0389 4.9711 4.8503 4.8472 4.9634 4.8438 4.9781 4.8590 4.9781 4.9633 4.8472 4.8507 4.9709 1.1052 0.1070 2.5610 3.3283 3.3285 2.5634 3.3301 2.5594 3.2178 2.5595 2.5612 3.3297 3.3250 2.5655 0.0374 0.0376 0.0377 0.0382 0.0268 0.0272 0.0283 0.0266 0.0267 0.0272 0.0267 0.0279 0.0292 0.0245 0.0245 0.0284 0.0298 0.0257 0.0255 0.0299 0.0276 0.0293 0.0275 0.0286 0.0276 0.0287 0.0284 0.0279 0.0267 0.0331 0.0331 0.0271 0.0334 0.0264 0.0324 0.0264 0.0269 0.0333 0.0331 0.0266 10.5409 0.0000 14.0342 14.0294 14.0294 14.0340 14.0294 14.0342 14.0312 14.0342 14.0340 14.0293 14.0294 14.0342 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Ta W W Ta W Ta W Ta Ta W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H 2.362740 2.499797 2.498931 2.358296 2.501091 2.362035 2.539578 2.362187 2.362336 2.493832 2.500628 2.362268 -1.093058 -1.096669 -1.095979 -1.088013 -1.010573 -1.006012 -0.963454 -1.012414 -1.006620 -1.010049 -1.006395 -1.001227 -0.967928 -1.045589 -1.044424 -0.991598 -0.983947 -1.046163 -1.047850 -0.971794 -1.006417 -0.993426 -1.009593 -1.005567 -1.008874 -0.973218 -1.004012 -1.005216 -1.022566 -0.888290 -0.883695 -1.014252 -0.881193 -1.031842 -0.576761 -1.031828 -1.013311 -0.885018 -0.888516 -1.023092 2.319274 0.113452 1.843559 1.931411 1.934715 1.840921 1.929671 1.840738 1.826028 1.840669 1.843806 1.929286 1.932528 1.843692 -0.725508 -0.729172 -0.726928 -0.704864 -0.773345 -0.766943 -0.709913 -0.773401 -0.765553 -0.776495 -0.761561 -0.776232 -0.705434 -0.802574 -0.802796 -0.740035 -0.815291 -0.890847 -0.891657 -0.785484 -0.846763 -0.843102 -0.846764 -0.849002 -0.852756 -0.794888 -0.845237 -0.849473 -0.960594 -0.804479 -0.795029 -0.948916 -0.797463 -0.972568 -0.760217 -0.972864 -0.946184 -0.798507 -0.805992 -0.959039 1.732959 0.403889 1.962677 2.044716 2.043144 1.955044 2.043115 1.962393 2.031807 1.962799 1.957808 2.040817 2.047702 1.960686 -0.804346 -0.798558 -0.797503 -0.786565 -0.854276 -0.848671 -0.815837 -0.856357 -0.846473 -0.857801 -0.844958 -0.851584 -0.807600 -0.894566 -0.893555 -0.823688 -0.850743 -0.931869 -0.933020 -0.829204 -0.878338 -0.867193 -0.885599 -0.880449 -0.886152 -0.830083 -0.878252 -0.880659 -0.934789 -0.769051 -0.761662 -0.924427 -0.760907 -0.946818 -0.751091 -0.946651 -0.921299 -0.762163 -0.769018 -0.934761 1.667338 0.416489 -8.36874424 7.10938384 -2.46448415 11.25401710 12.80996625 -66.14676855 10.37867284 2.72505481 -8.20741222 -15.53502106 -388.7181 431.5945 -18.0605 -435.3784 -75.6782 -486.2407 Jun20-2024 21:00:25 Nodes: 1 Procs: 1 Jun20-2024 21:00:28 Nodes: 1 Procs: 1 0 Jun20-2024 21:00:32 Nodes: 1 Procs: 1 Jun20-2024 21:00:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 21:00:38 Nodes: 1 Procs: 1 Jun20-2024 21:00:42 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 21:00:46 Nodes: 1 Procs: 1 Jun20-2024 21:00:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 21:00:52 Nodes: 1 Procs: 1 Jun20-2024 21:00:56 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 21:01:05 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -17.43759598 -17.74212650 -17.76879062 -17.85142189 -17.85968908 -17.86437279 -17.86627400 -17.86748033 -17.86836933 -17.86856058 -17.86880149 -17.86890872 -17.86900725 -17.86901837 GEOMETRY CONVERGED