ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 07:59:36 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 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 Jun21-2024 07:59:36 Nodes: 1 Procs: 1 Jun21-2024 07:59:39 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 07:59:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.36 0.04 2.22 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 Jun21-2024 07:59:36 Nodes: 1 Procs: 1 Jun21-2024 07:59:39 Nodes: 1 Procs: 1 0 Jun21-2024 07:59:43 Nodes: 1 Procs: 1 Jun21-2024 07:59:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 07:59:47 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.44 0.07 3.06 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 Jun21-2024 07:59:36 Nodes: 1 Procs: 1 Jun21-2024 07:59:39 Nodes: 1 Procs: 1 0 Jun21-2024 07:59:43 Nodes: 1 Procs: 1 Jun21-2024 07:59:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 07:59:47 Nodes: 1 Procs: 1 Jun21-2024 07:59:50 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 07:59:54 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.90 0.04 2.05 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 Jun21-2024 07:59:36 Nodes: 1 Procs: 1 Jun21-2024 07:59:39 Nodes: 1 Procs: 1 0 Jun21-2024 07:59:43 Nodes: 1 Procs: 1 Jun21-2024 07:59:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 07:59:47 Nodes: 1 Procs: 1 Jun21-2024 07:59:50 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 07:59:54 Nodes: 1 Procs: 1 Jun21-2024 07:59:56 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 07:59:58 Hydrogen (TZP) c1-54 c1-54 c1-54 c1-54 c1-54 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.42 0.08 3.29 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 Jun21-2024 07:59:36 Nodes: 1 Procs: 1 Jun21-2024 07:59:39 Nodes: 1 Procs: 1 0 Jun21-2024 07:59:43 Nodes: 1 Procs: 1 Jun21-2024 07:59:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 07:59:47 Nodes: 1 Procs: 1 Jun21-2024 07:59:50 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 07:59:54 Nodes: 1 Procs: 1 Jun21-2024 07:59:56 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 07:59:58 Nodes: 1 Procs: 1 Jun21-2024 08:00:01 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:00:06 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2700.8935000000065 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun21-2024 08:00:01 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun21-2024 07:59:45 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun21-2024 07:59:50 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun21-2024 07:59:56 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun21-2024 07:59:39 1 1 Hydrogen TZP 1 1 -17.15179587 0.22676981 0.00100000 F 0.08068976 0.00066667 F 0.22676981 0.08068976 0.29960310 0.01000000 F 0.06454077 0.00666667 F Cartesian 2700.8935000000065 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273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 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 -4.088 -4.053 -4.013 -3.983 -3.947 -3.864 -3.798 -3.686 -3.590 -3.407 -0.412 -0.400 -0.153 -0.070 -0.038 0.014 0.091 0.126 0.210 0.318 A A A A A A A A A A A A A A A A A A A A 0.00000000059506 0.00038672939430 0.00028313923071 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 74 74 74 74 33 73 73 73 73 73 73 73 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 0.082423 -2.572781 2.588164 -0.092105 2.590177 2.570942 2.520782 -2.609619 0.058319 2.555173 0.047453 -2.648746 -0.085935 -0.077464 -0.077836 0.069587 2.549772 -2.568257 2.628308 2.559049 -0.142410 -2.629373 2.521686 0.058808 -2.655068 -2.554427 -0.146890 -2.625787 -0.214644 -2.772794 -2.596789 0.134640 2.598564 2.590642 -0.120787 2.581961 0.940184 -1.036455 0.940888 -1.117597 -1.028390 -1.025687 0.958733 0.905766 -1.037507 -0.984808 0.967947 0.971375 -3.096300 -1.203725 1.238681 3.038990 -1.190095 -1.119653 -3.122464 1.169353 -1.134268 3.112693 1.205565 1.248154 1.406563 -1.175037 -3.223840 1.126505 1.181972 3.072946 -1.187094 1.152058 -3.103086 -1.134430 -1.206984 3.117616 -1.190504 3.135139 -1.186083 -1.138009 -3.032952 1.234190 1.158933 3.048567 1.216502 1.258747 -3.256091 -1.039085 3.446086 -1.568767 1.560889 -3.558372 -1.642325 -1.607842 3.521185 1.474996 -1.493361 -3.519839 1.569646 1.633386 1.470113 -1.559947 3.501544 1.650243 1.511665 -3.479265 -1.468227 1.558150 3.506107 -1.995747 -1.429203 -4.001565 -1.529649 -3.779250 -1.324885 -1.483092 3.457515 1.603390 1.550201 -3.450218 1.607440 1.548596 3.470487 -1.529001 -0.222282 -3.839558 3.803067 3.954261 -0.205369 -3.737204 -0.183915 3.791937 -3.887060 0.261001 3.815893 3.816214 3.848188 -3.786972 -0.161459 3.872493 3.853205 0.199427 -3.877395 3.847794 -0.192956 -3.921989 -3.810712 0.250378 -4.074163 0.439749 -3.716568 -3.793805 -0.201264 3.934889 3.811829 0.171957 3.907993 -0.589217 -3.458397 -1.270227 1 3 -3 0.082423 -2.572781 2.588164 Rho 0.4361415E+07 3,-3 2 3 -3 -0.092105 2.590177 2.570942 Rho 0.4361415E+07 3,-3 3 3 -3 2.520782 -2.609619 0.058319 Rho 0.4361415E+07 3,-3 4 3 -3 2.555173 0.047453 -2.648746 Rho 0.4361415E+07 3,-3 5 3 -3 -0.085935 -0.077464 -0.077836 Rho 0.4276095E+05 3,-3 6 3 -3 0.069587 2.549772 -2.568257 Rho 0.3882647E+07 3,-3 7 3 -3 2.628308 2.559049 -0.142410 Rho 0.3882647E+07 3,-3 8 3 -3 -2.629373 2.521686 0.058808 Rho 0.3882647E+07 3,-3 9 3 -3 -2.655068 -2.554427 -0.146890 Rho 0.3882647E+07 3,-3 10 3 -3 -2.625787 -0.214644 -2.772794 Rho 0.3882647E+07 3,-3 11 3 -3 -2.596789 0.134640 2.598564 Rho 0.3882647E+07 3,-3 12 3 -3 2.590642 -0.120787 2.581961 Rho 0.3882647E+07 3,-3 13 3 -3 0.940184 -1.036455 0.940888 Rho 0.3190166E+03 3,-3 14 3 -3 -1.117597 -1.028390 -1.025687 Rho 0.3190676E+03 3,-3 15 3 -3 0.958733 0.905766 -1.037507 Rho 0.3190131E+03 3,-3 16 3 -3 -0.984808 0.967947 0.971375 Rho 0.3190029E+03 3,-3 17 3 -3 -3.096300 -1.203725 1.238681 Rho 0.3188066E+03 3,-3 18 3 -3 3.038990 -1.190095 -1.119653 Rho 0.3188332E+03 3,-3 19 3 -3 -3.122464 1.169353 -1.134268 Rho 0.3189095E+03 3,-3 20 3 -3 3.112693 1.205565 1.248154 Rho 0.3188134E+03 3,-3 21 3 -3 1.406563 -1.175037 -3.223840 Rho 0.3192408E+03 3,-3 22 3 -3 1.126505 1.181972 3.072946 Rho 0.3188465E+03 3,-3 23 3 -3 -1.187094 1.152058 -3.103086 Rho 0.3187930E+03 3,-3 24 3 -3 -1.134430 -1.206984 3.117616 Rho 0.3188565E+03 3,-3 25 3 -3 -1.190504 3.135139 -1.186083 Rho 0.3188017E+03 3,-3 26 3 -3 -1.138009 -3.032952 1.234190 Rho 0.3188917E+03 3,-3 27 3 -3 1.158933 3.048567 1.216502 Rho 0.3188572E+03 3,-3 28 3 -3 1.258747 -3.256091 -1.039085 Rho 0.3191739E+03 3,-3 29 3 -3 3.446086 -1.568767 1.560889 Rho 0.3188721E+03 3,-3 30 3 -3 -3.558372 -1.642325 -1.607842 Rho 0.3188185E+03 3,-3 31 3 -3 3.521185 1.474996 -1.493361 Rho 0.3188746E+03 3,-3 32 3 -3 -3.519839 1.569646 1.633386 Rho 0.3188347E+03 3,-3 33 3 -3 1.470113 -1.559947 3.501544 Rho 0.3188752E+03 3,-3 34 3 -3 1.650243 1.511665 -3.479265 Rho 0.3188689E+03 3,-3 35 3 -3 -1.468227 1.558150 3.506107 Rho 0.3188647E+03 3,-3 36 3 -3 -1.995747 -1.429203 -4.001565 Rho 0.3189997E+03 3,-3 37 3 -3 -1.529649 -3.779250 -1.324885 Rho 0.3186169E+03 3,-3 38 3 -3 -1.483092 3.457515 1.603390 Rho 0.3189104E+03 3,-3 39 3 -3 1.550201 -3.450218 1.607440 Rho 0.3188803E+03 3,-3 40 3 -3 1.548596 3.470487 -1.529001 Rho 0.3188343E+03 3,-3 41 3 -3 -0.222282 -3.839558 3.803067 Rho 0.3191205E+03 3,-3 42 3 -3 3.954261 -0.205369 -3.737204 Rho 0.3190929E+03 3,-3 43 3 -3 -0.183915 3.791937 -3.887060 Rho 0.3190079E+03 3,-3 44 3 -3 0.261001 3.815893 3.816214 Rho 0.3191117E+03 3,-3 45 3 -3 3.848188 -3.786972 -0.161459 Rho 0.3191027E+03 3,-3 46 3 -3 3.872493 3.853205 0.199427 Rho 0.3190100E+03 3,-3 47 3 -3 -3.877395 3.847794 -0.192956 Rho 0.3189890E+03 3,-3 48 3 -3 -3.921989 -3.810712 0.250378 Rho 0.3190153E+03 3,-3 49 3 -3 -4.074163 0.439749 -3.716568 Rho 0.3189632E+03 3,-3 50 3 -3 -3.793805 -0.201264 3.934889 Rho 0.3190199E+03 3,-3 51 3 -3 3.811829 0.171957 3.907993 Rho 0.3190144E+03 3,-3 52 3 -3 -0.589217 -3.458397 -1.270227 Rho 0.4464545E+00 3,-3 53 3 +1 -2.232906 1.357684 1.144008 Rho 0.2371109E-01 |GRAD(Rho)| 0.4081016E-12 GRAD(Rho)x 0.3656965E-12 GRAD(Rho)y -0.8275877E-13 GRAD(Rho)z -0.1611335E-12 Laplacian 0.8503169E-01 (-1/4)Del**2(Rho)) -0.2125792E-01 Diamond 0.1014576E-01 Metallicity 0.1585933E+01 Ellipticity -0.4518356E+01 Gb(Abramov) 0.1979089E-01 Vb(Abramov) -0.1832386E-01 Hb(Abramov) 0.1467034E-02 Ex_ueg -0.5030993E-02 Ec_ueg -0.1024041E-02 Delta_ex -0.5191781E-02 Delta_ec 0.1402547E-02 Delta_et -0.1223146E-01 Pxc 0.4912883E+01 Qxc -0.3701680E+01 3,+1 54 3 -1 -1.855858 -2.796422 0.581554 Rho 0.9125540E-01 |GRAD(Rho)| 0.4915935E-12 GRAD(Rho)x -0.9151447E-13 GRAD(Rho)y 0.1407355E-12 GRAD(Rho)z 0.4620420E-12 Laplacian 0.3908681E+00 (-1/4)Del**2(Rho)) -0.9771703E-01 Diamond 0.4521200E+00 Metallicity 0.3260973E+01 Ellipticity 0.2229936E-01 Gb(Abramov) 0.1182534E+00 Vb(Abramov) -0.1387899E+00 Hb(Abramov) -0.2053642E-01 Ex_ueg -0.3034332E-01 Ec_ueg -0.4798453E-02 Delta_ex -0.3761836E-01 Delta_ec 0.1169940E-01 Delta_et -0.1432472E+00 Pxc 0.6323564E+01 Qxc -0.3215409E+01 3,-1 55 3 -1 0.900501 1.996058 -3.038202 Rho 0.9478414E-01 |GRAD(Rho)| 0.3510144E-15 GRAD(Rho)x 0.8499467E-16 GRAD(Rho)y -0.9791701E-16 GRAD(Rho)z -0.3261890E-15 Laplacian 0.3938008E+00 (-1/4)Del**2(Rho)) -0.9845019E-01 Diamond 0.4724536E+00 Metallicity 0.3447964E+01 Ellipticity 0.2542855E-01 Gb(Abramov) 0.1222089E+00 Vb(Abramov) -0.1459676E+00 Hb(Abramov) -0.2375872E-01 Ex_ueg -0.3191778E-01 Ec_ueg -0.5010192E-02 Delta_ex -0.3814797E-01 Delta_ec 0.1154806E-01 Delta_et -0.1423954E+00 Pxc 0.6370570E+01 Qxc -0.3303409E+01 3,-1 56 3 +1 -3.044185 -0.267251 -0.222562 Rho 0.4975356E-02 |GRAD(Rho)| 0.3026226E-15 GRAD(Rho)x -0.4363532E-16 GRAD(Rho)y 0.2991770E-15 GRAD(Rho)z -0.1302006E-16 Laplacian 0.1848495E-01 (-1/4)Del**2(Rho)) -0.4621238E-02 Diamond 0.3276640E-03 Metallicity 0.5405490E+00 Ellipticity -0.1736355E+01 Gb(Abramov) 0.3497159E-02 Vb(Abramov) -0.2373081E-02 Hb(Abramov) 0.1124078E-02 Ex_ueg -0.6273124E-03 Ec_ueg -0.1458524E-03 Delta_ex -0.8241912E-03 Delta_ec 0.4142721E-03 Delta_et -0.2314390E-02 Pxc 0.4301009E+01 Qxc -0.1989492E+01 3,+1 57 3 +1 -1.755078 0.523104 -0.554734 Rho 0.8549738E-02 |GRAD(Rho)| 0.2598876E-16 GRAD(Rho)x 0.2066762E-16 GRAD(Rho)y -0.4426693E-17 GRAD(Rho)z 0.1512183E-16 Laplacian 0.3130298E-01 (-1/4)Del**2(Rho)) -0.7825746E-02 Diamond 0.8396519E-03 Metallicity 0.7869531E+00 Ellipticity -0.1535173E+01 Gb(Abramov) 0.6243579E-02 Vb(Abramov) -0.4661413E-02 Hb(Abramov) 0.1582166E-02 Ex_ueg -0.1291186E-02 Ec_ueg -0.3027318E-03 Delta_ex -0.1431832E-02 Delta_ec 0.4474639E-03 Delta_et -0.3048108E-02 Pxc 0.4265115E+01 Qxc -0.3199883E+01 3,+1 58 3 +1 -0.631124 0.493175 -1.723834 Rho 0.8184841E-02 |GRAD(Rho)| 0.8832379E-16 GRAD(Rho)x 0.2083080E-16 GRAD(Rho)y 0.7829740E-16 GRAD(Rho)z -0.3516656E-16 Laplacian 0.3053200E-01 (-1/4)Del**2(Rho)) -0.7632999E-02 Diamond 0.7924114E-03 Metallicity 0.7502541E+00 Ellipticity -0.1523979E+01 Gb(Abramov) 0.6043114E-02 Vb(Abramov) -0.4453229E-02 Hb(Abramov) 0.1589885E-02 Ex_ueg -0.1218238E-02 Ec_ueg -0.2864432E-03 Delta_ex -0.1391263E-02 Delta_ec 0.4542109E-03 Delta_et -0.3044942E-02 Pxc 0.4252982E+01 Qxc -0.3063033E+01 3,+1 59 3 -1 -3.238233 -0.044368 3.314616 Rho 0.1935695E+00 |GRAD(Rho)| 0.1592519E-14 GRAD(Rho)x 0.1392441E-14 GRAD(Rho)y -0.3459012E-15 GRAD(Rho)z -0.6910705E-15 Laplacian 0.7377333E+00 (-1/4)Del**2(Rho)) -0.1844333E+00 Diamond 0.2026727E+01 Metallicity 0.6050278E+01 Ellipticity 0.2572262E-02 Gb(Abramov) 0.3089343E+00 Vb(Abramov) -0.4334354E+00 Hb(Abramov) -0.1245010E+00 Ex_ueg -0.8269913E-01 Ec_ueg -0.1128884E-01 Delta_ex -0.8441057E-01 Delta_ec 0.1747213E-01 Delta_et -0.2393718E+00 Pxc 0.7325741E+01 Qxc -0.4831155E+01 3,-1 60 3 -1 -3.401382 0.135689 -3.276980 Rho 0.1826970E+00 |GRAD(Rho)| 0.1460146E-15 GRAD(Rho)x -0.1278274E-15 GRAD(Rho)y 0.5220433E-16 GRAD(Rho)z 0.4748806E-16 Laplacian 0.6879542E+00 (-1/4)Del**2(Rho)) -0.1719885E+00 Diamond 0.1780880E+01 Metallicity 0.5892132E+01 Ellipticity 0.2358561E-01 Gb(Abramov) 0.2835556E+00 Vb(Abramov) -0.3951226E+00 Hb(Abramov) -0.1115670E+00 Ex_ueg -0.7656438E-01 Ec_ueg -0.1056851E-01 Delta_ex -0.7770662E-01 Delta_ec 0.1678919E-01 Delta_et -0.2294919E+00 Pxc 0.7244576E+01 Qxc -0.4628371E+01 3,-1 61 3 -1 -0.267807 -1.267343 -3.587698 Rho 0.3417563E-02 |GRAD(Rho)| 0.5172503E-17 GRAD(Rho)x -0.5151130E-17 GRAD(Rho)y -0.4227686E-18 GRAD(Rho)z -0.2047393E-18 Laplacian 0.1130615E-01 (-1/4)Del**2(Rho)) -0.2826537E-02 Diamond 0.2277166E-03 Metallicity 0.4725990E+00 Ellipticity 0.2044972E+00 Gb(Abramov) 0.2106994E-02 Vb(Abramov) -0.1387452E-02 Hb(Abramov) 0.7195425E-03 Ex_ueg -0.3801957E-03 Ec_ueg -0.7946293E-04 Delta_ex -0.6306985E-03 Delta_ec 0.5474911E-03 Delta_et -0.2571709E-02 Pxc 0.4784567E+01 Qxc -0.1151979E+01 3,-1 62 3 -1 -3.333704 -3.227869 0.064298 Rho 0.1920401E+00 |GRAD(Rho)| 0.2959689E-14 GRAD(Rho)x -0.2238877E-16 GRAD(Rho)y 0.2597098E-14 GRAD(Rho)z 0.1419275E-14 Laplacian 0.7429312E+00 (-1/4)Del**2(Rho)) -0.1857328E+00 Diamond 0.2021311E+01 Metallicity 0.5929040E+01 Ellipticity 0.1831208E-02 Gb(Abramov) 0.3073581E+00 Vb(Abramov) -0.4289833E+00 Hb(Abramov) -0.1216253E+00 Ex_ueg -0.8182906E-01 Ec_ueg -0.1118711E-01 Delta_ex -0.8483179E-01 Delta_ec 0.1762864E-01 Delta_et -0.2413296E+00 Pxc 0.7314584E+01 Qxc -0.4812158E+01 3,-1 63 3 -1 -3.077657 0.896505 2.078688 Rho 0.1361851E+00 |GRAD(Rho)| 0.1126466E-12 GRAD(Rho)x 0.4664293E-13 GRAD(Rho)y -0.8165926E-13 GRAD(Rho)z 0.6201177E-13 Laplacian 0.5476356E+00 (-1/4)Del**2(Rho)) -0.1369089E+00 Diamond 0.1006706E+01 Metallicity 0.4535979E+01 Ellipticity 0.2554849E-01 Gb(Abramov) 0.1947752E+00 Vb(Abramov) -0.2526416E+00 Hb(Abramov) -0.5786634E-01 Ex_ueg -0.5174773E-01 Ec_ueg -0.7565117E-02 Delta_ex -0.5764935E-01 Delta_ec 0.1460258E-01 Delta_et -0.1923937E+00 Pxc 0.6840308E+01 Qxc -0.3947886E+01 3,-1 64 3 -1 -3.089159 2.014320 0.891559 Rho 0.1097524E+00 |GRAD(Rho)| 0.1675560E-14 GRAD(Rho)x -0.7530529E-15 GRAD(Rho)y 0.7302373E-15 GRAD(Rho)z 0.1306586E-14 Laplacian 0.4474005E+00 (-1/4)Del**2(Rho)) -0.1118501E+00 Diamond 0.6389737E+00 Metallicity 0.3875012E+01 Ellipticity 0.7145204E-02 Gb(Abramov) 0.1468035E+00 Vb(Abramov) -0.1817569E+00 Hb(Abramov) -0.3495339E-01 Ex_ueg -0.3880939E-01 Ec_ueg -0.5919510E-02 Delta_ex -0.4481050E-01 Delta_ec 0.1266335E-01 Delta_et -0.1607844E+00 Pxc 0.6556184E+01 Qxc -0.3538597E+01 3,-1 65 3 +1 -1.354253 1.110530 2.212075 Rho 0.2441622E-01 |GRAD(Rho)| 0.3308509E-13 GRAD(Rho)x -0.1928527E-13 GRAD(Rho)y -0.4970722E-14 GRAD(Rho)z 0.2641957E-13 Laplacian 0.9178012E-01 (-1/4)Del**2(Rho)) -0.2294503E-01 Diamond 0.1149540E-01 Metallicity 0.1542867E+01 Ellipticity -0.3912818E+01 Gb(Abramov) 0.2119688E-01 Vb(Abramov) -0.1944872E-01 Hb(Abramov) 0.1748154E-02 Ex_ueg -0.5231460E-02 Ec_ueg -0.1059367E-02 Delta_ex -0.5658413E-02 Delta_ec 0.1532568E-02 Delta_et -0.1345634E-01 Pxc 0.4938290E+01 Qxc -0.3692113E+01 3,+1 66 3 -1 1.725097 0.463912 -1.809451 Rho 0.4348771E-01 |GRAD(Rho)| 0.2247053E-14 GRAD(Rho)x 0.1439477E-14 GRAD(Rho)y -0.7497180E-15 GRAD(Rho)z -0.1554051E-14 Laplacian 0.1693655E+00 (-1/4)Del**2(Rho)) -0.4234136E-01 Diamond 0.7074062E-01 Metallicity 0.2188094E+01 Ellipticity 0.1513198E-01 Gb(Abramov) 0.4366872E-01 Vb(Abramov) -0.4499608E-01 Hb(Abramov) -0.1327358E-02 Ex_ueg -0.1129468E-01 Ec_ueg -0.2058194E-02 Delta_ex -0.1344748E-01 Delta_ec 0.5025637E-02 Delta_et -0.5107380E-01 Pxc 0.5487665E+01 Qxc -0.2675775E+01 3,-1 67 3 -1 -3.124053 -2.063517 -0.925425 Rho 0.1415498E+00 |GRAD(Rho)| 0.2793650E-13 GRAD(Rho)x 0.1163461E-13 GRAD(Rho)y 0.2169940E-13 GRAD(Rho)z -0.1319924E-13 Laplacian 0.5642925E+00 (-1/4)Del**2(Rho)) -0.1410731E+00 Diamond 0.1086400E+01 Metallicity 0.4694877E+01 Ellipticity 0.5060415E-01 Gb(Abramov) 0.2044356E+00 Vb(Abramov) -0.2677980E+00 Hb(Abramov) -0.6336246E-01 Ex_ueg -0.5448337E-01 Ec_ueg -0.7904792E-02 Delta_ex -0.5995841E-01 Delta_ec 0.1490376E-01 Delta_et -0.1975543E+00 Pxc 0.6892449E+01 Qxc -0.4023039E+01 3,-1 68 3 -1 -2.879835 -1.836278 0.588856 Rho 0.1250311E+00 |GRAD(Rho)| 0.1461387E-13 GRAD(Rho)x -0.7332574E-14 GRAD(Rho)y -0.1257333E-13 GRAD(Rho)z -0.1307670E-14 Laplacian 0.5270530E+00 (-1/4)Del**2(Rho)) -0.1317633E+00 Diamond 0.8811414E+00 Metallicity 0.4087481E+01 Ellipticity 0.5758479E-02 Gb(Abramov) 0.1776055E+00 Vb(Abramov) -0.2234477E+00 Hb(Abramov) -0.4584222E-01 Ex_ueg -0.4617525E-01 Ec_ueg -0.6864874E-02 Delta_ex -0.5444370E-01 Delta_ec 0.1449503E-01 Delta_et -0.1885335E+00 Pxc 0.6726306E+01 Qxc -0.3756025E+01 3,-1 69 3 +1 -1.742451 -0.557777 0.589264 Rho 0.8314077E-02 |GRAD(Rho)| 0.2603068E-15 GRAD(Rho)x -0.1539156E-15 GRAD(Rho)y -0.5365275E-17 GRAD(Rho)z 0.2098591E-15 Laplacian 0.3038830E-01 (-1/4)Del**2(Rho)) -0.7597076E-02 Diamond 0.7699340E-03 Metallicity 0.7737431E+00 Ellipticity -0.1499025E+01 Gb(Abramov) 0.6044415E-02 Vb(Abramov) -0.4491754E-02 Hb(Abramov) 0.1552661E-02 Ex_ueg -0.1243952E-02 Ec_ueg -0.2922053E-03 Delta_ex -0.1373294E-02 Delta_ec 0.4219911E-03 Delta_et -0.2863909E-02 Pxc 0.4257117E+01 Qxc -0.3254319E+01 3,+1 70 3 -1 -3.107540 -0.964611 -2.151562 Rho 0.1039981E+00 |GRAD(Rho)| 0.3278429E-14 GRAD(Rho)x 0.1310597E-14 GRAD(Rho)y 0.2172484E-14 GRAD(Rho)z -0.2076234E-14 Laplacian 0.4179136E+00 (-1/4)Del**2(Rho)) -0.1044784E+00 Diamond 0.5633435E+00 Metallicity 0.3792297E+01 Ellipticity 0.4357560E-02 Gb(Abramov) 0.1356878E+00 Vb(Abramov) -0.1668972E+00 Hb(Abramov) -0.3120939E-01 Ex_ueg -0.3612038E-01 Ec_ueg -0.5567873E-02 Delta_ex -0.4140015E-01 Delta_ec 0.1208623E-01 Delta_et -0.1519910E+00 Pxc 0.6487285E+01 Qxc -0.3425397E+01 3,-1 71 3 +1 -2.296241 -1.068870 -1.560053 Rho 0.2526419E-01 |GRAD(Rho)| 0.3249444E-13 GRAD(Rho)x 0.2416361E-13 GRAD(Rho)y 0.1918294E-13 GRAD(Rho)z -0.1019918E-13 Laplacian 0.9630024E-01 (-1/4)Del**2(Rho)) -0.2407506E-01 Diamond 0.1089984E-01 Metallicity 0.1556544E+01 Ellipticity -0.2263450E+01 Gb(Abramov) 0.2229569E-01 Vb(Abramov) -0.2051632E-01 Hb(Abramov) 0.1779371E-02 Ex_ueg -0.5475103E-02 Ec_ueg -0.1102025E-02 Delta_ex -0.5804995E-02 Delta_ec 0.1274910E-02 Delta_et -0.1136346E-01 Pxc 0.4968220E+01 Qxc -0.4553257E+01 3,+1 72 3 -1 -2.881039 0.511620 -1.908844 Rho 0.7313400E-01 |GRAD(Rho)| 0.2341663E-13 GRAD(Rho)x 0.1802048E-13 GRAD(Rho)y 0.6031440E-14 GRAD(Rho)z -0.1368293E-13 Laplacian 0.3136228E+00 (-1/4)Del**2(Rho)) -0.7840569E-01 Diamond 0.2765397E+00 Metallicity 0.2810204E+01 Ellipticity 0.3124874E-02 Gb(Abramov) 0.8899312E-01 Vb(Abramov) -0.9958055E-01 Hb(Abramov) -0.1058743E-01 Ex_ueg -0.2258799E-01 Ec_ueg -0.3728789E-02 Delta_ex -0.2870405E-01 Delta_ec 0.9777386E-02 Delta_et -0.1138089E+00 Pxc 0.6057727E+01 Qxc -0.2935759E+01 3,-1 73 3 +1 1.255197 -2.228337 1.209309 Rho 0.2742815E-01 |GRAD(Rho)| 0.4864941E-13 GRAD(Rho)x 0.3001389E-13 GRAD(Rho)y 0.1127230E-13 GRAD(Rho)z -0.3659052E-13 Laplacian 0.1109873E+00 (-1/4)Del**2(Rho)) -0.2774683E-01 Diamond 0.1789378E-01 Metallicity 0.1548819E+01 Ellipticity -0.7396175E+01 Gb(Abramov) 0.2566035E-01 Vb(Abramov) -0.2357388E-01 Hb(Abramov) 0.2086473E-02 Ex_ueg -0.6109145E-02 Ec_ueg -0.1211728E-02 Delta_ex -0.7210870E-02 Delta_ec 0.2123518E-02 Delta_et -0.1913204E-01 Pxc 0.5041680E+01 Qxc -0.3395719E+01 3,+1 74 3 +3 -2.422401 -0.021680 0.034670 Rho 0.4410554E-02 |GRAD(Rho)| 0.4461948E-17 GRAD(Rho)x 0.4460398E-17 GRAD(Rho)y -0.8139586E-19 GRAD(Rho)z -0.8486965E-19 Laplacian 0.1718573E-01 (-1/4)Del**2(Rho)) -0.4296432E-02 Diamond 0.1372548E-03 Metallicity 0.4756277E+00 Ellipticity -0.3707744E+00 Gb(Abramov) 0.3204872E-02 Vb(Abramov) -0.2113311E-02 Hb(Abramov) 0.1091560E-02 Ex_ueg -0.5342066E-03 Ec_ueg -0.1216354E-03 Delta_ex -0.6132157E-03 Delta_ec 0.1465806E-03 Delta_et -0.9280164E-03 Pxc 0.4391868E+01 Qxc -0.4183470E+01 3,+3 75 3 -1 -2.047024 -3.189731 -0.762032 Rho 0.1144910E+00 |GRAD(Rho)| 0.5340252E-15 GRAD(Rho)x 0.2998361E-15 GRAD(Rho)y -0.2904578E-15 GRAD(Rho)z -0.3330398E-15 Laplacian 0.4414716E+00 (-1/4)Del**2(Rho)) -0.1103679E+00 Diamond 0.6759822E+00 Metallicity 0.4213692E+01 Ellipticity 0.9159988E-01 Gb(Abramov) 0.1510880E+00 Vb(Abramov) -0.1918081E+00 Hb(Abramov) -0.4072010E-01 Ex_ueg -0.4105950E-01 Ec_ueg -0.6210935E-02 Delta_ex -0.4483632E-01 Delta_ec 0.1269751E-01 Delta_et -0.1629898E+00 Pxc 0.6610841E+01 Qxc -0.3531112E+01 3,-1 76 3 -1 0.053067 -3.407921 -1.184928 Rho 0.2925558E-01 |GRAD(Rho)| 0.1191409E-16 GRAD(Rho)x -0.2071098E-17 GRAD(Rho)y 0.1172798E-16 GRAD(Rho)z -0.3325810E-18 Laplacian 0.9401275E-01 (-1/4)Del**2(Rho)) -0.2350319E-01 Diamond 0.3487779E-01 Metallicity 0.2035984E+01 Ellipticity 0.7806413E-02 Gb(Abramov) 0.2364414E-01 Vb(Abramov) -0.2378510E-01 Hb(Abramov) -0.1409563E-03 Ex_ueg -0.6657790E-02 Ec_ueg -0.1305274E-02 Delta_ex -0.7826074E-02 Delta_ec 0.4678706E-02 Delta_et -0.4255488E-01 Pxc 0.5100685E+01 Qxc -0.1672701E+01 3,-1 77 3 +3 -1.176933 1.130297 -1.169098 Rho 0.4820851E-02 |GRAD(Rho)| 0.1111584E-15 GRAD(Rho)x -0.4379483E-16 GRAD(Rho)y 0.6343105E-16 GRAD(Rho)z -0.8009188E-16 Laplacian 0.1720831E-01 (-1/4)Del**2(Rho)) -0.4302076E-02 Diamond 0.1090478E-03 Metallicity 0.5509108E+00 Ellipticity -0.3220174E+00 Gb(Abramov) 0.3263061E-02 Vb(Abramov) -0.2224046E-02 Hb(Abramov) 0.1039015E-02 Ex_ueg -0.6014738E-03 Ec_ueg -0.1392115E-03 Delta_ex -0.5834158E-03 Delta_ec 0.6663724E-04 Delta_et -0.5508314E-03 Pxc 0.4320577E+01 Qxc -0.8755101E+01 3,+3 78 3 +1 -2.065558 2.064054 2.087850 Rho 0.1147763E-01 |GRAD(Rho)| 0.1628586E-14 GRAD(Rho)x 0.8802609E-15 GRAD(Rho)y -0.9854194E-15 GRAD(Rho)z -0.9520411E-15 Laplacian 0.4916625E-01 (-1/4)Del**2(Rho)) -0.1229156E-01 Diamond 0.1409290E-02 Metallicity 0.8185276E+00 Ellipticity -0.1144706E+01 Gb(Abramov) 0.9871206E-02 Vb(Abramov) -0.7450849E-02 Hb(Abramov) 0.2420357E-02 Ex_ueg -0.1912148E-02 Ec_ueg -0.4355088E-03 Delta_ex -0.2252371E-02 Delta_ec 0.3949859E-03 Delta_et -0.3120806E-02 Pxc 0.4390608E+01 Qxc -0.5702408E+01 3,+1 79 3 +1 -1.820549 1.773978 -1.801492 Rho 0.1049865E-01 |GRAD(Rho)| 0.4065755E-17 GRAD(Rho)x -0.1798904E-17 GRAD(Rho)y -0.2096062E-17 GRAD(Rho)z 0.2983427E-17 Laplacian 0.4549768E-01 (-1/4)Del**2(Rho)) -0.1137442E-01 Diamond 0.1413944E-02 Metallicity 0.7623944E+00 Ellipticity -0.1288009E+01 Gb(Abramov) 0.9028245E-02 Vb(Abramov) -0.6682071E-02 Hb(Abramov) 0.2346174E-02 Ex_ueg -0.1697838E-02 Ec_ueg -0.3907127E-03 Delta_ex -0.2123388E-02 Delta_ec 0.5263708E-03 Delta_et -0.3871762E-02 Pxc 0.4345490E+01 Qxc -0.4034017E+01 3,+1 80 3 +3 -1.947009 1.935403 1.952785 Rho 0.1136217E-01 |GRAD(Rho)| 0.1187884E-16 GRAD(Rho)x 0.1178344E-16 GRAD(Rho)y 0.1281718E-17 GRAD(Rho)z 0.7840083E-18 Laplacian 0.4798663E-01 (-1/4)Del**2(Rho)) -0.1199666E-01 Diamond 0.9757082E-03 Metallicity 0.8246354E+00 Ellipticity -0.7537674E+00 Gb(Abramov) 0.9646582E-02 Vb(Abramov) -0.7296508E-02 Hb(Abramov) 0.2350074E-02 Ex_ueg -0.1886544E-02 Ec_ueg -0.4302053E-03 Delta_ex -0.2073827E-02 Delta_ec 0.1742614E-03 Delta_et -0.1643742E-02 Pxc 0.4385218E+01 Qxc -0.1190066E+02 3,+3 81 3 -1 -2.883499 1.795184 -0.579506 Rho 0.1698466E+00 |GRAD(Rho)| 0.3499878E-12 GRAD(Rho)x 0.7066660E-13 GRAD(Rho)y 0.2616536E-12 GRAD(Rho)z 0.2214386E-12 Laplacian 0.6896993E+00 (-1/4)Del**2(Rho)) -0.1724248E+00 Diamond 0.1626674E+01 Metallicity 0.5204528E+01 Ellipticity 0.1741570E-01 Gb(Abramov) 0.2645148E+00 Vb(Abramov) -0.3566049E+00 Hb(Abramov) -0.9209003E-01 Ex_ueg -0.6946949E-01 Ec_ueg -0.9725861E-02 Delta_ex -0.7641778E-01 Delta_ec 0.1701835E-01 Delta_et -0.2303488E+00 Pxc 0.7142760E+01 Qxc -0.4490317E+01 3,-1 82 3 -1 -1.842632 -1.749352 -0.565346 Rho 0.5224615E-01 |GRAD(Rho)| 0.3185855E-16 GRAD(Rho)x -0.1406075E-17 GRAD(Rho)y 0.3056773E-16 GRAD(Rho)z -0.8865894E-17 Laplacian 0.2208590E+00 (-1/4)Del**2(Rho)) -0.5521476E-01 Diamond 0.1280576E+00 Metallicity 0.2278182E+01 Ellipticity 0.2213655E-01 Gb(Abramov) 0.5777472E-01 Vb(Abramov) -0.6033468E-01 Hb(Abramov) -0.2559958E-02 Ex_ueg -0.1442527E-01 Ec_ueg -0.2539404E-02 Delta_ex -0.1875624E-01 Delta_ec 0.7246639E-02 Delta_et -0.7750890E-01 Pxc 0.5680575E+01 Qxc -0.2588267E+01 3,-1 83 3 +1 -1.798150 -1.780996 1.836875 Rho 0.1149070E-01 |GRAD(Rho)| 0.4296926E-16 GRAD(Rho)x 0.3991177E-17 GRAD(Rho)y -0.3673326E-16 GRAD(Rho)z -0.2193388E-16 Laplacian 0.5416039E-01 (-1/4)Del**2(Rho)) -0.1354010E-01 Diamond 0.1956919E-02 Metallicity 0.7444618E+00 Ellipticity -0.1260154E+01 Gb(Abramov) 0.1070675E-01 Vb(Abramov) -0.7873394E-02 Hb(Abramov) 0.2833351E-02 Ex_ueg -0.1915052E-02 Ec_ueg -0.4361094E-03 Delta_ex -0.2605040E-02 Delta_ec 0.6548817E-03 Delta_et -0.4896415E-02 Pxc 0.4391219E+01 Qxc -0.3977879E+01 3,+1 84 3 +1 -0.633972 -1.697021 0.511471 Rho 0.8699072E-02 |GRAD(Rho)| 0.7519122E-11 GRAD(Rho)x 0.6745535E-11 GRAD(Rho)y 0.2548842E-11 GRAD(Rho)z 0.2130343E-11 Laplacian 0.3284342E-01 (-1/4)Del**2(Rho)) -0.8210855E-02 Diamond 0.9148429E-03 Metallicity 0.7720043E+00 Ellipticity -0.1521039E+01 Gb(Abramov) 0.6530373E-02 Vb(Abramov) -0.4849890E-02 Hb(Abramov) 0.1680482E-02 Ex_ueg -0.1321343E-02 Ec_ueg -0.3094151E-03 Delta_ex -0.1514573E-02 Delta_ec 0.4796550E-03 Delta_et -0.3273924E-02 Pxc 0.4270455E+01 Qxc -0.3157631E+01 3,+1 85 3 -1 -1.864710 2.838842 -0.601213 Rho 0.1204460E+00 |GRAD(Rho)| 0.2165586E-15 GRAD(Rho)x -0.1447139E-15 GRAD(Rho)y 0.1872959E-16 GRAD(Rho)z -0.1600147E-15 Laplacian 0.5083073E+00 (-1/4)Del**2(Rho)) -0.1270768E+00 Diamond 0.8138211E+00 Metallicity 0.3982361E+01 Ellipticity 0.1352089E-01 Gb(Abramov) 0.1690622E+00 Vb(Abramov) -0.2110475E+00 Hb(Abramov) -0.4198535E-01 Ex_ueg -0.4393137E-01 Ec_ueg -0.6579445E-02 Delta_ex -0.5206193E-01 Delta_ec 0.1413283E-01 Delta_et -0.1826553E+00 Pxc 0.6677063E+01 Qxc -0.3683759E+01 3,-1 86 3 -1 -2.022422 3.005632 0.870175 Rho 0.8640483E-01 |GRAD(Rho)| 0.3386009E-15 GRAD(Rho)x 0.3199074E-16 GRAD(Rho)y 0.9397322E-16 GRAD(Rho)z 0.3237224E-15 Laplacian 0.3596374E+00 (-1/4)Del**2(Rho)) -0.8990934E-01 Diamond 0.3846484E+00 Metallicity 0.3235776E+01 Ellipticity 0.2682563E-02 Gb(Abramov) 0.1084273E+00 Vb(Abramov) -0.1269453E+00 Hb(Abramov) -0.1851796E-01 Ex_ueg -0.2821212E-01 Ec_ueg -0.4509151E-02 Delta_ex -0.3408894E-01 Delta_ec 0.1071114E-01 Delta_et -0.1294271E+00 Pxc 0.6256638E+01 Qxc -0.3182569E+01 3,-1 87 3 +1 -0.580157 1.681244 -0.597970 Rho 0.7463069E-02 |GRAD(Rho)| 0.4900849E-13 GRAD(Rho)x -0.1490642E-13 GRAD(Rho)y 0.4392321E-13 GRAD(Rho)z -0.1582347E-13 Laplacian 0.2713639E-01 (-1/4)Del**2(Rho)) -0.6784098E-02 Diamond 0.5748501E-03 Metallicity 0.7237526E+00 Ellipticity -0.1419829E+01 Gb(Abramov) 0.5341066E-02 Vb(Abramov) -0.3898035E-02 Hb(Abramov) 0.1443031E-02 Ex_ueg -0.1077147E-02 Ec_ueg -0.2544015E-03 Delta_ex -0.1183278E-02 Delta_ec 0.3586647E-03 Delta_et -0.2382877E-02 Pxc 0.4234044E+01 Qxc -0.3299122E+01 3,+1 88 3 +1 2.195670 1.311528 -1.116459 Rho 0.2347006E-01 |GRAD(Rho)| 0.3031911E-16 GRAD(Rho)x -0.2884114E-16 GRAD(Rho)y -0.1528172E-17 GRAD(Rho)z 0.9225064E-17 Laplacian 0.8798959E-01 (-1/4)Del**2(Rho)) -0.2199740E-01 Diamond 0.1090870E-01 Metallicity 0.1506742E+01 Ellipticity -0.5160169E+01 Gb(Abramov) 0.2018900E-01 Vb(Abramov) -0.1838060E-01 Hb(Abramov) 0.1808401E-02 Ex_ueg -0.4962920E-02 Ec_ueg -0.1011997E-02 Delta_ex -0.5423500E-02 Delta_ec 0.1568757E-02 Delta_et -0.1361362E-01 Pxc 0.4904087E+01 Qxc -0.3457195E+01 3,+1 89 3 +1 0.305422 -1.941196 -0.738126 Rho 0.5601849E-02 |GRAD(Rho)| 0.1006446E-13 GRAD(Rho)x 0.2745124E-14 GRAD(Rho)y -0.9208070E-14 GRAD(Rho)z -0.2994841E-14 Laplacian 0.2159602E-01 (-1/4)Del**2(Rho)) -0.5399005E-02 Diamond 0.5196717E-03 Metallicity 0.5638001E+00 Ellipticity -0.2365829E+01 Gb(Abramov) 0.4106663E-02 Vb(Abramov) -0.2814321E-02 Hb(Abramov) 0.1292342E-02 Ex_ueg -0.7347850E-03 Ec_ueg -0.1729041E-03 Delta_ex -0.1044183E-02 Delta_ec 0.5844139E-03 Delta_et -0.3322044E-02 Pxc 0.4249669E+01 Qxc -0.1786719E+01 3,+1 90 3 -1 -2.287856 -0.865441 -3.430483 Rho 0.1862266E+00 |GRAD(Rho)| 0.7698845E-12 GRAD(Rho)x -0.2770770E-12 GRAD(Rho)y 0.5102260E-12 GRAD(Rho)z 0.5055887E-12 Laplacian 0.7390021E+00 (-1/4)Del**2(Rho)) -0.1847505E+00 Diamond 0.1930329E+01 Metallicity 0.5662873E+01 Ellipticity 0.6589366E-02 Gb(Abramov) 0.2975368E+00 Vb(Abramov) -0.4103231E+00 Hb(Abramov) -0.1127863E+00 Ex_ueg -0.7854295E-01 Ec_ueg -0.1080162E-01 Delta_ex -0.8367315E-01 Delta_ec 0.1758194E-01 Delta_et -0.2396867E+00 Pxc 0.7271404E+01 Qxc -0.4759038E+01 3,-1 91 3 +3 -1.165355 -1.113755 1.184025 Rho 0.4905016E-02 |GRAD(Rho)| 0.1318063E-14 GRAD(Rho)x 0.1115810E-15 GRAD(Rho)y -0.1313306E-14 GRAD(Rho)z -0.8170309E-17 Laplacian 0.1838137E-01 (-1/4)Del**2(Rho)) -0.4595343E-02 Diamond 0.1231340E-03 Metallicity 0.5308469E+00 Ellipticity -0.1979062E+00 Gb(Abramov) 0.3470133E-02 Vb(Abramov) -0.2344922E-02 Hb(Abramov) 0.1125210E-02 Ex_ueg -0.6155155E-03 Ec_ueg -0.1428275E-03 Delta_ex -0.6298820E-03 Delta_ec 0.7773796E-04 Delta_et -0.6227624E-03 Pxc 0.4309501E+01 Qxc -0.8102631E+01 3,+3 92 3 -1 -1.834007 -0.605417 -1.864180 Rho 0.3917899E-01 |GRAD(Rho)| 0.1923239E-16 GRAD(Rho)x -0.1773729E-16 GRAD(Rho)y -0.7127147E-17 GRAD(Rho)z 0.2115888E-17 Laplacian 0.1653960E+00 (-1/4)Del**2(Rho)) -0.4134901E-01 Diamond 0.6670289E-01 Metallicity 0.1882970E+01 Ellipticity 0.3208175E-01 Gb(Abramov) 0.4054250E-01 Vb(Abramov) -0.3973599E-01 Hb(Abramov) 0.8065131E-03 Ex_ueg -0.9827793E-02 Ec_ueg -0.1826097E-02 Delta_ex -0.1319932E-01 Delta_ec 0.5631113E-02 Delta_et -0.5572129E-01 Pxc 0.5381856E+01 Qxc -0.2343999E+01 3,-1 93 3 -1 -1.822999 -0.577115 2.861821 Rho 0.1047217E+00 |GRAD(Rho)| 0.8914405E-16 GRAD(Rho)x 0.8023096E-17 GRAD(Rho)y 0.5662246E-16 GRAD(Rho)z -0.6838266E-16 Laplacian 0.4524867E+00 (-1/4)Del**2(Rho)) -0.1131217E+00 Diamond 0.6157739E+00 Metallicity 0.3543249E+01 Ellipticity 0.8294104E-02 Gb(Abramov) 0.1422175E+00 Vb(Abramov) -0.1713133E+00 Hb(Abramov) -0.2909582E-01 Ex_ueg -0.3645585E-01 Ec_ueg -0.5611952E-02 Delta_ex -0.4490851E-01 Delta_ec 0.1308653E-01 Delta_et -0.1648247E+00 Pxc 0.6496109E+01 Qxc -0.3431658E+01 3,-1 94 3 -1 -1.863616 0.508145 -2.938888 Rho 0.1163590E+00 |GRAD(Rho)| 0.1467009E-15 GRAD(Rho)x -0.1406075E-15 GRAD(Rho)y -0.3973601E-16 GRAD(Rho)z -0.1310529E-16 Laplacian 0.4867308E+00 (-1/4)Del**2(Rho)) -0.1216827E+00 Diamond 0.7509883E+00 Metallicity 0.3926369E+01 Ellipticity 0.1980783E-01 Gb(Abramov) 0.1607504E+00 Vb(Abramov) -0.1998180E+00 Hb(Abramov) -0.3906764E-01 Ex_ueg -0.4195514E-01 Ec_ueg -0.6326262E-02 Delta_ex -0.4949525E-01 Delta_ec 0.1372510E-01 Delta_et -0.1763951E+00 Pxc 0.6631901E+01 Qxc -0.3606184E+01 3,-1 95 3 -1 -1.757074 0.533782 1.746609 Rho 0.4162047E-01 |GRAD(Rho)| 0.3308882E-16 GRAD(Rho)x 0.1845134E-16 GRAD(Rho)y 0.5374848E-17 GRAD(Rho)z -0.2693565E-16 Laplacian 0.1734648E+00 (-1/4)Del**2(Rho)) -0.4336621E-01 Diamond 0.7352257E-01 Metallicity 0.1985699E+01 Ellipticity 0.1664277E-01 Gb(Abramov) 0.4326284E-01 Vb(Abramov) -0.4315948E-01 Hb(Abramov) 0.1033639E-03 Ex_ueg -0.1065273E-01 Ec_ueg -0.1957209E-02 Delta_ex -0.1391311E-01 Delta_ec 0.5666401E-02 Delta_et -0.5698859E-01 Pxc 0.5442819E+01 Qxc -0.2455370E+01 3,-1 96 3 +1 -1.455871 2.195154 1.036158 Rho 0.2403023E-01 |GRAD(Rho)| 0.4279065E-16 GRAD(Rho)x -0.2522729E-16 GRAD(Rho)y 0.3301937E-16 GRAD(Rho)z 0.1021492E-16 Laplacian 0.8950823E-01 (-1/4)Del**2(Rho)) -0.2237706E-01 Diamond 0.9627063E-02 Metallicity 0.1540566E+01 Ellipticity -0.2398467E+01 Gb(Abramov) 0.2066359E-01 Vb(Abramov) -0.1895013E-01 Hb(Abramov) 0.1713465E-02 Ex_ueg -0.5121483E-02 Ec_ueg -0.1040013E-02 Delta_ex -0.5341427E-02 Delta_ec 0.1220617E-02 Delta_et -0.1074786E-01 Pxc 0.4924442E+01 Qxc -0.4376006E+01 3,+1 97 3 -1 -1.993064 0.886508 3.067871 Rho 0.1133250E+00 |GRAD(Rho)| 0.1286623E-15 GRAD(Rho)x 0.9547755E-16 GRAD(Rho)y 0.5579575E-16 GRAD(Rho)z -0.6576364E-16 Laplacian 0.4650177E+00 (-1/4)Del**2(Rho)) -0.1162544E+00 Diamond 0.6900260E+00 Metallicity 0.3932660E+01 Ellipticity 0.2349536E-01 Gb(Abramov) 0.1537011E+00 Vb(Abramov) -0.1911479E+00 Hb(Abramov) -0.3744672E-01 Ex_ueg -0.4050288E-01 Ec_ueg -0.6139072E-02 Delta_ex -0.4692255E-01 Delta_ec 0.1306186E-01 Delta_et -0.1668515E+00 Pxc 0.6597558E+01 Qxc -0.3592332E+01 3,-1 98 3 +1 0.110844 -0.123052 3.060735 Rho 0.5428061E-02 |GRAD(Rho)| 0.1987043E-15 GRAD(Rho)x 0.1309325E-15 GRAD(Rho)y -0.1483516E-15 GRAD(Rho)z 0.1821685E-16 Laplacian 0.2135598E-01 (-1/4)Del**2(Rho)) -0.5338996E-02 Diamond 0.5675540E-03 Metallicity 0.5409637E+00 Ellipticity -0.6176054E+01 Gb(Abramov) 0.4040698E-02 Vb(Abramov) -0.2742400E-02 Hb(Abramov) 0.1298298E-02 Ex_ueg -0.7045492E-03 Ec_ueg -0.1653803E-03 Delta_ex -0.1088327E-02 Delta_ec 0.6893769E-03 Delta_et -0.3830559E-02 Pxc 0.4260177E+01 Qxc -0.1578712E+01 3,+1 99 3 +1 1.709279 0.523939 0.531307 Rho 0.6420960E-02 |GRAD(Rho)| 0.1374532E-12 GRAD(Rho)x -0.1175434E-13 GRAD(Rho)y 0.1232248E-12 GRAD(Rho)z -0.5975665E-13 Laplacian 0.2375464E-01 (-1/4)Del**2(Rho)) -0.5938660E-02 Diamond 0.4296336E-03 Metallicity 0.6434745E+00 Ellipticity -0.1395298E+01 Gb(Abramov) 0.4596003E-02 Vb(Abramov) -0.3253345E-02 Hb(Abramov) 0.1342657E-02 Ex_ueg -0.8814243E-03 Ec_ueg -0.2085659E-03 Delta_ex -0.1010443E-02 Delta_ec 0.3371232E-03 Delta_et -0.2133456E-02 Pxc 0.4226120E+01 Qxc -0.2997251E+01 3,+1 100 3 +1 0.530646 0.472057 1.693911 Rho 0.7200357E-02 |GRAD(Rho)| 0.2449786E-14 GRAD(Rho)x -0.1668460E-14 GRAD(Rho)y 0.1793308E-14 GRAD(Rho)z 0.4168726E-16 Laplacian 0.2781312E-01 (-1/4)Del**2(Rho)) -0.6953279E-02 Diamond 0.5871166E-03 Metallicity 0.6652020E+00 Ellipticity -0.1392443E+01 Gb(Abramov) 0.5406408E-02 Vb(Abramov) -0.3859538E-02 Hb(Abramov) 0.1546870E-02 Ex_ueg -0.1026890E-02 Ec_ueg -0.2427983E-03 Delta_ex -0.1216710E-02 Delta_ec 0.3940909E-03 Delta_et -0.2570346E-02 Pxc 0.4229393E+01 Qxc -0.3087383E+01 3,+1 101 3 +3 -0.081080 -2.390848 -0.164384 Rho 0.3863986E-02 |GRAD(Rho)| 0.4266049E-17 GRAD(Rho)x -0.1265199E-17 GRAD(Rho)y -0.2419973E-17 GRAD(Rho)z 0.3277525E-17 Laplacian 0.1550571E-01 (-1/4)Del**2(Rho)) -0.3876427E-02 Diamond 0.9791035E-04 Metallicity 0.4228445E+00 Ellipticity -0.4037310E+00 Gb(Abramov) 0.2857473E-02 Vb(Abramov) -0.1838518E-02 Hb(Abramov) 0.1018955E-02 Ex_ueg -0.4478154E-03 Ec_ueg -0.9835789E-04 Delta_ex -0.5275393E-03 Delta_ec 0.1192001E-03 Delta_et -0.7512812E-03 Pxc 0.4552918E+01 Qxc -0.4425661E+01 3,+3 102 3 -1 0.861967 -3.022239 2.057583 Rho 0.1335886E+00 |GRAD(Rho)| 0.3772946E-15 GRAD(Rho)x -0.2040604E-15 GRAD(Rho)y 0.1293453E-15 GRAD(Rho)z 0.2897937E-15 Laplacian 0.5257354E+00 (-1/4)Del**2(Rho)) -0.1314338E+00 Diamond 0.9215264E+00 Metallicity 0.4575743E+01 Ellipticity 0.5668907E-01 Gb(Abramov) 0.1878571E+00 Vb(Abramov) -0.2442804E+00 Hb(Abramov) -0.5642329E-01 Ex_ueg -0.5043642E-01 Ec_ueg -0.7401377E-02 Delta_ex -0.5482246E-01 Delta_ec 0.1360932E-01 Delta_et -0.1778514E+00 Pxc 0.6814464E+01 Qxc -0.4028303E+01 3,-1 103 3 +3 0.027348 2.326825 -0.035163 Rho 0.3902032E-02 |GRAD(Rho)| 0.9971284E-16 GRAD(Rho)x -0.6715809E-16 GRAD(Rho)y -0.4763804E-16 GRAD(Rho)z 0.5624109E-16 Laplacian 0.1546176E-01 (-1/4)Del**2(Rho)) -0.3865439E-02 Diamond 0.1011664E-03 Metallicity 0.4310282E+00 Ellipticity -0.2323935E+00 Gb(Abramov) 0.2854645E-02 Vb(Abramov) -0.1843851E-02 Hb(Abramov) 0.1010794E-02 Ex_ueg -0.4537042E-03 Ec_ueg -0.9997313E-04 Delta_ex -0.5302541E-03 Delta_ec 0.1240012E-03 Delta_et -0.7746287E-03 Pxc 0.4538261E+01 Qxc -0.4276200E+01 3,+3 104 3 +1 -0.097823 3.043716 0.102687 Rho 0.4896893E-02 |GRAD(Rho)| 0.2797322E-14 GRAD(Rho)x -0.1884420E-14 GRAD(Rho)y 0.9024938E-16 GRAD(Rho)z 0.2065388E-14 Laplacian 0.1893427E-01 (-1/4)Del**2(Rho)) -0.4733567E-02 Diamond 0.4435954E-03 Metallicity 0.5139241E+00 Ellipticity -0.6716093E+01 Gb(Abramov) 0.3561160E-02 Vb(Abramov) -0.2388754E-02 Hb(Abramov) 0.1172407E-02 Ex_ueg -0.6141567E-03 Ec_ueg -0.1424784E-03 Delta_ex -0.9512198E-03 Delta_ec 0.6205032E-03 Delta_et -0.3338990E-02 Pxc 0.4310526E+01 Qxc -0.1532981E+01 3,+1 105 3 +1 -0.577532 -0.565592 1.699047 Rho 0.7580828E-02 |GRAD(Rho)| 0.7480250E-16 GRAD(Rho)x 0.5339557E-16 GRAD(Rho)y -0.1589374E-16 GRAD(Rho)z -0.4991709E-16 Laplacian 0.2888040E-01 (-1/4)Del**2(Rho)) -0.7220099E-02 Diamond 0.6430224E-03 Metallicity 0.6980251E+00 Ellipticity -0.1406321E+01 Gb(Abramov) 0.5653368E-02 Vb(Abramov) -0.4086637E-02 Hb(Abramov) 0.1566731E-02 Ex_ueg -0.1099868E-02 Ec_ueg -0.2596129E-03 Delta_ex -0.1273940E-02 Delta_ec 0.3988936E-03 Delta_et -0.2645370E-02 Pxc 0.4236569E+01 Qxc -0.3193684E+01 3,+1 106 3 -1 -0.835343 3.038933 2.046242 Rho 0.1592649E+00 |GRAD(Rho)| 0.5263014E-15 GRAD(Rho)x 0.1926627E-15 GRAD(Rho)y 0.3773024E-15 GRAD(Rho)z -0.3122773E-15 Laplacian 0.6201072E+00 (-1/4)Del**2(Rho)) -0.1550268E+00 Diamond 0.1342063E+01 Metallicity 0.5200119E+01 Ellipticity 0.3558129E-01 Gb(Abramov) 0.2377108E+00 Vb(Abramov) -0.3203949E+00 Hb(Abramov) -0.8268405E-01 Ex_ueg -0.6375955E-01 Ec_ueg -0.9039217E-02 Delta_ex -0.6750896E-01 Delta_ec 0.1536145E-01 Delta_et -0.2057927E+00 Pxc 0.7053659E+01 Qxc -0.4394699E+01 3,-1 107 3 -1 -0.565413 -1.839491 2.857793 Rho 0.1557143E+00 |GRAD(Rho)| 0.4276588E-15 GRAD(Rho)x -0.4082834E-15 GRAD(Rho)y 0.9985502E-16 GRAD(Rho)z 0.7890281E-16 Laplacian 0.6291342E+00 (-1/4)Del**2(Rho)) -0.1572836E+00 Diamond 0.1327205E+01 Metallicity 0.4936478E+01 Ellipticity 0.1471568E-01 Gb(Abramov) 0.2342602E+00 Vb(Abramov) -0.3112368E+00 Hb(Abramov) -0.7697661E-01 Ex_ueg -0.6187135E-01 Ec_ueg -0.8810307E-02 Delta_ex -0.6812882E-01 Delta_ec 0.1570778E-01 Delta_et -0.2099072E+00 Pxc 0.7022610E+01 Qxc -0.4337267E+01 3,-1 108 3 +1 -0.300804 -0.598525 -3.306804 Rho 0.2772113E-02 |GRAD(Rho)| 0.1459654E-15 GRAD(Rho)x -0.9281688E-16 GRAD(Rho)y -0.1066296E-15 GRAD(Rho)z -0.3634650E-16 Laplacian 0.9712612E-02 (-1/4)Del**2(Rho)) -0.2428153E-02 Diamond 0.8221187E-04 Metallicity 0.3881165E+00 Ellipticity -0.1532689E+01 Gb(Abramov) 0.1775836E-02 Vb(Abramov) -0.1123520E-02 Hb(Abramov) 0.6523166E-03 Ex_ueg -0.2876072E-03 Ec_ueg -0.5233487E-04 Delta_ex -0.3915367E-03 Delta_ec 0.2314976E-03 Delta_et -0.1082832E-02 Pxc 0.5495517E+01 Qxc -0.1691321E+01 3,+1 109 3 -1 -0.587885 -0.536179 -0.534245 Rho 0.1879984E+00 |GRAD(Rho)| 0.2049802E-11 GRAD(Rho)x 0.1276049E-11 GRAD(Rho)y 0.1137663E-11 GRAD(Rho)z 0.1130977E-11 Laplacian 0.4984387E+00 (-1/4)Del**2(Rho)) -0.1246097E+00 Diamond 0.1327166E+01 Metallicity 0.8529530E+01 Ellipticity 0.2239544E-01 Gb(Abramov) 0.2602168E+00 Vb(Abramov) -0.3958239E+00 Hb(Abramov) -0.1356071E+00 Ex_ueg -0.7954094E-01 Ec_ueg -0.1091891E-01 Delta_ex -0.5664704E-01 Delta_ec 0.1196426E-01 Delta_et -0.1636829E+00 Pxc 0.7284696E+01 Qxc -0.4734687E+01 3,-1 110 3 +3 0.001369 -0.028346 2.310642 Rho 0.4163493E-02 |GRAD(Rho)| 0.4460742E-17 GRAD(Rho)x -0.2724490E-17 GRAD(Rho)y -0.3452056E-17 GRAD(Rho)z 0.7474517E-18 Laplacian 0.1679443E-01 (-1/4)Del**2(Rho)) -0.4198608E-02 Diamond 0.1163593E-03 Metallicity 0.4421241E+00 Ellipticity -0.2662510E+00 Gb(Abramov) 0.3108456E-02 Vb(Abramov) -0.2018305E-02 Hb(Abramov) 0.1090152E-02 Ex_ueg -0.4946851E-03 Ec_ueg -0.1110940E-03 Delta_ex -0.5813492E-03 Delta_ec 0.1269975E-03 Delta_et -0.8178207E-03 Pxc 0.4452851E+01 Qxc -0.4577642E+01 3,+3 111 3 -1 0.034096 -0.049595 3.059443 Rho 0.5431224E-02 |GRAD(Rho)| 0.2192591E-13 GRAD(Rho)x 0.1455841E-13 GRAD(Rho)y -0.1554681E-13 GRAD(Rho)z 0.5205310E-14 Laplacian 0.2115066E-01 (-1/4)Del**2(Rho)) -0.5287666E-02 Diamond 0.6073501E-03 Metallicity 0.5467458E+00 Ellipticity 0.6421199E+01 Gb(Abramov) 0.4006945E-02 Vb(Abramov) -0.2726225E-02 Hb(Abramov) 0.1280720E-02 Ex_ueg -0.7050968E-03 Ec_ueg -0.1655171E-03 Delta_ex -0.1115251E-02 Delta_ec 0.7492829E-03 Delta_et -0.4138181E-02 Pxc 0.4259964E+01 Qxc -0.1488424E+01 3,-1 112 3 +1 -0.164339 0.141109 3.065263 Rho 0.5390433E-02 |GRAD(Rho)| 0.1995713E-15 GRAD(Rho)x 0.1243854E-15 GRAD(Rho)y -0.1501754E-15 GRAD(Rho)z 0.4247746E-16 Laplacian 0.2136128E-01 (-1/4)Del**2(Rho)) -0.5340319E-02 Diamond 0.5221506E-03 Metallicity 0.5345956E+00 Ellipticity -0.2902792E+01 Gb(Abramov) 0.4036031E-02 Vb(Abramov) -0.2731743E-02 Hb(Abramov) 0.1304288E-02 Ex_ueg -0.6980448E-03 Ec_ueg -0.1637532E-03 Delta_ex -0.1053316E-02 Delta_ec 0.6291713E-03 Delta_et -0.3512318E-02 Pxc 0.4262785E+01 Qxc -0.1674132E+01 3,+1 113 3 -1 -0.518055 0.425606 0.427517 Rho 0.1725803E+00 |GRAD(Rho)| 0.3391906E-15 GRAD(Rho)x -0.1700029E-15 GRAD(Rho)y 0.2463307E-15 GRAD(Rho)z 0.1595946E-15 Laplacian 0.4311900E+00 (-1/4)Del**2(Rho)) -0.1077975E+00 Diamond 0.1053620E+01 Metallicity 0.8549284E+01 Ellipticity 0.8844575E-02 Gb(Abramov) 0.2254636E+00 Vb(Abramov) -0.3431297E+00 Hb(Abramov) -0.1176661E+00 Ex_ueg -0.7096430E-01 Ec_ueg -0.9904321E-02 Delta_ex -0.4810643E-01 Delta_ec 0.1084598E-01 Delta_et -0.1477780E+00 Pxc 0.7164984E+01 Qxc -0.4435414E+01 3,-1 114 3 -1 -0.080564 -3.254855 3.242047 Rho 0.2170207E+00 |GRAD(Rho)| 0.1392499E-15 GRAD(Rho)x 0.8257555E-16 GRAD(Rho)y -0.5627009E-16 GRAD(Rho)z 0.9698188E-16 Laplacian 0.8036332E+00 (-1/4)Del**2(Rho)) -0.2009083E+00 Diamond 0.2524262E+01 Metallicity 0.6720329E+01 Ellipticity 0.3489854E-02 Gb(Abramov) 0.3589672E+00 Vb(Abramov) -0.5170261E+00 Hb(Abramov) -0.1580589E+00 Ex_ueg -0.9632077E-01 Ec_ueg -0.1286510E-01 Delta_ex -0.9462820E-01 Delta_ec 0.1834551E-01 Delta_et -0.2531749E+00 Pxc 0.7486980E+01 Qxc -0.5158112E+01 3,-1 115 3 +1 0.062938 -3.125673 0.098905 Rho 0.5331358E-02 |GRAD(Rho)| 0.2729090E-17 GRAD(Rho)x 0.2080169E-17 GRAD(Rho)y -0.1002715E-17 GRAD(Rho)z -0.1454438E-17 Laplacian 0.2075883E-01 (-1/4)Del**2(Rho)) -0.5189708E-02 Diamond 0.5446212E-03 Metallicity 0.5400989E+00 Ellipticity -0.6294227E+01 Gb(Abramov) 0.3926965E-02 Vb(Abramov) -0.2664221E-02 Hb(Abramov) 0.1262744E-02 Ex_ueg -0.6878633E-03 Ec_ueg -0.1612002E-03 Delta_ex -0.1059436E-02 Delta_ec 0.6794036E-03 Delta_et -0.3751155E-02 Pxc 0.4267136E+01 Qxc -0.1559361E+01 3,+1 116 3 -1 -0.571211 -2.803299 1.861137 Rho 0.1651766E+00 |GRAD(Rho)| 0.4104671E-15 GRAD(Rho)x -0.1459336E-15 GRAD(Rho)y -0.1452831E-16 GRAD(Rho)z -0.3833739E-15 Laplacian 0.6805093E+00 (-1/4)Del**2(Rho)) -0.1701273E+00 Diamond 0.1529009E+01 Metallicity 0.5035315E+01 Ellipticity 0.2056645E-01 Gb(Abramov) 0.2561923E+00 Vb(Abramov) -0.3422574E+00 Hb(Abramov) -0.8606502E-01 Ex_ueg -0.6693446E-01 Ec_ueg -0.9422011E-02 Delta_ex -0.7467477E-01 Delta_ec 0.1655020E-01 Delta_et -0.2223078E+00 Pxc 0.7104053E+01 Qxc -0.4512017E+01 3,-1 117 3 -1 -0.528498 1.746246 1.738984 Rho 0.4124009E-01 |GRAD(Rho)| 0.4489531E-09 GRAD(Rho)x -0.1555985E-09 GRAD(Rho)y -0.2999797E-09 GRAD(Rho)z -0.2955676E-09 Laplacian 0.1613319E+00 (-1/4)Del**2(Rho)) -0.4033299E-01 Diamond 0.6193240E-01 Metallicity 0.2102610E+01 Ellipticity 0.2444862E-01 Gb(Abramov) 0.4102275E-01 Vb(Abramov) -0.4171251E-01 Hb(Abramov) -0.6897626E-03 Ex_ueg -0.1052312E-01 Ec_ueg -0.1936711E-02 Delta_ex -0.1259902E-01 Delta_ec 0.4713207E-02 Delta_et -0.4721389E-01 Pxc 0.5433499E+01 Qxc -0.2673131E+01 3,-1 118 3 +1 0.561803 1.677805 0.479146 Rho 0.6962955E-02 |GRAD(Rho)| 0.2738709E-17 GRAD(Rho)x 0.1155393E-17 GRAD(Rho)y -0.1339813E-17 GRAD(Rho)z -0.2090573E-17 Laplacian 0.2668412E-01 (-1/4)Del**2(Rho)) -0.6671029E-02 Diamond 0.5500805E-03 Metallicity 0.6556665E+00 Ellipticity -0.1410599E+01 Gb(Abramov) 0.5176348E-02 Vb(Abramov) -0.3681667E-02 Hb(Abramov) 0.1494681E-02 Ex_ueg -0.9819963E-03 Ec_ueg -0.2323408E-03 Delta_ex -0.1164742E-02 Delta_ec 0.3907656E-03 Delta_et -0.2515674E-02 Pxc 0.4226534E+01 Qxc -0.2980667E+01 3,+1 119 3 -1 -0.600400 1.804620 -2.842709 Rho 0.1348833E+00 |GRAD(Rho)| 0.5945247E-15 GRAD(Rho)x 0.2720534E-15 GRAD(Rho)y 0.5263802E-15 GRAD(Rho)z 0.4868745E-16 Laplacian 0.5753288E+00 (-1/4)Del**2(Rho)) -0.1438322E+00 Diamond 0.1040497E+01 Metallicity 0.4249072E+01 Ellipticity 0.1033068E-01 Gb(Abramov) 0.1977470E+00 Vb(Abramov) -0.2516619E+00 Hb(Abramov) -0.5391483E-01 Ex_ueg -0.5108923E-01 Ec_ueg -0.7482969E-02 Delta_ex -0.6036732E-01 Delta_ec 0.1527414E-01 Delta_et -0.2007336E+00 Pxc 0.6827401E+01 Qxc -0.3952258E+01 3,-1 120 3 -1 0.499980 -1.773480 1.731118 Rho 0.4543278E-01 |GRAD(Rho)| 0.9899327E-16 GRAD(Rho)x 0.2310219E-16 GRAD(Rho)y 0.7397520E-16 GRAD(Rho)z -0.6159242E-16 Laplacian 0.1775802E+00 (-1/4)Del**2(Rho)) -0.4439505E-01 Diamond 0.7815945E-01 Metallicity 0.2244747E+01 Ellipticity 0.1469933E-01 Gb(Abramov) 0.4620598E-01 Vb(Abramov) -0.4801690E-01 Hb(Abramov) -0.1810929E-02 Ex_ueg -0.1197322E-01 Ec_ueg -0.2164015E-02 Delta_ex -0.1422737E-01 Delta_ec 0.5218901E-02 Delta_et -0.5364726E-01 Pxc 0.5532871E+01 Qxc -0.2726124E+01 3,-1 121 3 -1 0.575986 2.820531 1.844881 Rho 0.1569733E+00 |GRAD(Rho)| 0.5439776E-13 GRAD(Rho)x -0.3009930E-13 GRAD(Rho)y -0.1428201E-13 GRAD(Rho)z 0.4300201E-13 Laplacian 0.6426309E+00 (-1/4)Del**2(Rho)) -0.1606577E+00 Diamond 0.1366213E+01 Metallicity 0.4898101E+01 Ellipticity 0.1596622E-01 Gb(Abramov) 0.2382581E+00 Vb(Abramov) -0.3158585E+00 Hb(Abramov) -0.7760038E-01 Ex_ueg -0.6253925E-01 Ec_ueg -0.8891387E-02 Delta_ex -0.6970446E-01 Delta_ec 0.1596800E-01 Delta_et -0.2134987E+00 Pxc 0.7033688E+01 Qxc -0.4365259E+01 3,-1 122 3 -1 -0.065014 3.215130 -3.274846 Rho 0.1915630E+00 |GRAD(Rho)| 0.2374811E-12 GRAD(Rho)x 0.3116370E-13 GRAD(Rho)y -0.1596804E-12 GRAD(Rho)z 0.1729978E-12 Laplacian 0.7301837E+00 (-1/4)Del**2(Rho)) -0.1825459E+00 Diamond 0.1982623E+01 Metallicity 0.6007590E+01 Ellipticity 0.3998787E-02 Gb(Abramov) 0.3044742E+00 Vb(Abramov) -0.4264024E+00 Hb(Abramov) -0.1219282E+00 Ex_ueg -0.8155811E-01 Ec_ueg -0.1115540E-01 Delta_ex -0.8333740E-01 Delta_ec 0.1736246E-01 Delta_et -0.2377123E+00 Pxc 0.7311086E+01 Qxc -0.4799862E+01 3,-1 123 3 -1 0.097139 3.250032 3.241402 Rho 0.2164726E+00 |GRAD(Rho)| 0.4887475E-15 GRAD(Rho)x -0.8673617E-18 GRAD(Rho)y -0.4462034E-15 GRAD(Rho)z -0.1994390E-15 Laplacian 0.7958927E+00 (-1/4)Del**2(Rho)) -0.1989732E+00 Diamond 0.2497031E+01 Metallicity 0.6757149E+01 Ellipticity 0.1905122E-02 Gb(Abramov) 0.3567307E+00 Vb(Abramov) -0.5144882E+00 Hb(Abramov) -0.1577575E+00 Ex_ueg -0.9599655E-01 Ec_ueg -0.1282791E-01 Delta_ex -0.9368418E-01 Delta_ec 0.1823277E-01 Delta_et -0.2517761E+00 Pxc 0.7483411E+01 Qxc -0.5138231E+01 3,-1 124 3 +1 1.659112 -0.574280 -0.557108 Rho 0.8203016E-02 |GRAD(Rho)| 0.7718490E-17 GRAD(Rho)x -0.3479181E-17 GRAD(Rho)y 0.6884935E-17 GRAD(Rho)z -0.2608564E-18 Laplacian 0.3276407E-01 (-1/4)Del**2(Rho)) -0.8191016E-02 Diamond 0.8307019E-03 Metallicity 0.7017320E+00 Ellipticity -0.1412213E+01 Gb(Abramov) 0.6418661E-02 Vb(Abramov) -0.4646305E-02 Hb(Abramov) 0.1772356E-02 Ex_ueg -0.1221846E-02 Ec_ueg -0.2872531E-03 Delta_ex -0.1483141E-02 Delta_ec 0.4683868E-03 Delta_et -0.3156626E-02 Pxc 0.4253552E+01 Qxc -0.3166487E+01 3,+1 125 3 +3 1.126988 1.071549 1.070759 Rho 0.4075981E-02 |GRAD(Rho)| 0.3245524E-16 GRAD(Rho)x -0.1720465E-16 GRAD(Rho)y 0.1570848E-16 GRAD(Rho)z -0.2259616E-16 Laplacian 0.1532300E-01 (-1/4)Del**2(Rho)) -0.3830750E-02 Diamond 0.8665192E-04 Metallicity 0.4677239E+00 Ellipticity -0.6350125E-01 Gb(Abramov) 0.2852456E-02 Vb(Abramov) -0.1874161E-02 Hb(Abramov) 0.9782945E-03 Ex_ueg -0.4808703E-03 Ec_ueg -0.1073678E-03 Delta_ex -0.5073824E-03 Delta_ec 0.7996272E-04 Delta_et -0.5739585E-03 Pxc 0.4478719E+01 Qxc -0.6345237E+01 3,+3 126 3 -1 0.406399 -0.540678 0.411587 Rho 0.1717882E+00 |GRAD(Rho)| 0.3692672E-14 GRAD(Rho)x -0.2157996E-14 GRAD(Rho)y 0.1996667E-14 GRAD(Rho)z -0.2234324E-14 Laplacian 0.4256323E+00 (-1/4)Del**2(Rho)) -0.1064081E+00 Diamond 0.1039378E+01 Metallicity 0.8594764E+01 Ellipticity 0.5324257E-02 Gb(Abramov) 0.2233641E+00 Vb(Abramov) -0.3403201E+00 Hb(Abramov) -0.1169560E+00 Ex_ueg -0.7053035E-01 Ec_ueg -0.9852565E-02 Delta_ex -0.4747415E-01 Delta_ec 0.1079404E-01 Delta_et -0.1471928E+00 Pxc 0.7158577E+01 Qxc -0.4398184E+01 3,-1 127 3 -1 0.416603 0.394905 -0.541108 Rho 0.1751488E+00 |GRAD(Rho)| 0.7163281E-13 GRAD(Rho)x -0.4334033E-13 GRAD(Rho)y -0.4047457E-13 GRAD(Rho)z 0.4018313E-13 Laplacian 0.4414295E+00 (-1/4)Del**2(Rho)) -0.1103574E+00 Diamond 0.1100805E+01 Metallicity 0.8559144E+01 Ellipticity 0.4079675E-02 Gb(Abramov) 0.2309990E+00 Vb(Abramov) -0.3516407E+00 Hb(Abramov) -0.1206417E+00 Ex_ueg -0.7237600E-01 Ec_ueg -0.1007239E-01 Delta_ex -0.4945367E-01 Delta_ec 0.1110282E-01 Delta_et -0.1516609E+00 Pxc 0.7185582E+01 Qxc -0.4454156E+01 3,-1 128 3 -1 1.392267 -2.194155 -2.113256 Rho 0.7997930E-02 |GRAD(Rho)| 0.2324547E-16 GRAD(Rho)x 0.7721611E-18 GRAD(Rho)y 0.1828328E-16 GRAD(Rho)z -0.1433449E-16 Laplacian 0.3096783E-01 (-1/4)Del**2(Rho)) -0.7741957E-02 Diamond 0.1727405E-02 Metallicity 0.7117570E+00 Ellipticity 0.3106116E+00 Gb(Abramov) 0.6079703E-02 Vb(Abramov) -0.4417450E-02 Hb(Abramov) 0.1662254E-02 Ex_ueg -0.1181286E-02 Ec_ueg -0.2781229E-03 Delta_ex -0.1873850E-02 Delta_ec 0.1301317E-02 Delta_et -0.8011444E-02 Pxc 0.4247354E+01 Qxc -0.1439964E+01 3,-1 129 3 -1 0.556270 1.835860 2.824653 Rho 0.1461753E+00 |GRAD(Rho)| 0.8395559E-16 GRAD(Rho)x -0.1023216E-16 GRAD(Rho)y -0.2703729E-16 GRAD(Rho)z 0.7882150E-16 Laplacian 0.5984468E+00 (-1/4)Del**2(Rho)) -0.1496117E+00 Diamond 0.1169307E+01 Metallicity 0.4670651E+01 Ellipticity 0.1225495E-01 Gb(Abramov) 0.2162051E+00 Vb(Abramov) -0.2827986E+00 Hb(Abramov) -0.6659344E-01 Ex_ueg -0.5687004E-01 Ec_ueg -0.8199127E-02 Delta_ex -0.6379551E-01 Delta_ec 0.1516354E-01 Delta_et -0.2008596E+00 Pxc 0.6936110E+01 Qxc -0.4207164E+01 3,-1 130 3 +1 1.063731 1.394466 -2.243748 Rho 0.2499742E-01 |GRAD(Rho)| 0.1296424E-12 GRAD(Rho)x 0.9511931E-13 GRAD(Rho)y -0.8213934E-13 GRAD(Rho)z -0.3182134E-13 Laplacian 0.9425357E-01 (-1/4)Del**2(Rho)) -0.2356339E-01 Diamond 0.1094658E-01 Metallicity 0.1562454E+01 Ellipticity -0.2571390E+01 Gb(Abramov) 0.2184505E-01 Vb(Abramov) -0.2012670E-01 Hb(Abramov) 0.1718344E-02 Ex_ueg -0.5398154E-02 Ec_ueg -0.1088584E-02 Delta_ex -0.5712113E-02 Delta_ec 0.1331981E-02 Delta_et -0.1181940E-01 Pxc 0.4958876E+01 Qxc -0.4288433E+01 3,+1 131 3 -1 0.496668 1.691249 -1.766189 Rho 0.4368103E-01 |GRAD(Rho)| 0.5214224E-14 GRAD(Rho)x -0.3774574E-14 GRAD(Rho)y 0.3487409E-14 GRAD(Rho)z 0.8824444E-15 Laplacian 0.1830799E+00 (-1/4)Del**2(Rho)) -0.4576998E-01 Diamond 0.8330809E-01 Metallicity 0.2039203E+01 Ellipticity 0.1962739E-01 Gb(Abramov) 0.4606904E-01 Vb(Abramov) -0.4636809E-01 Hb(Abramov) -0.2990548E-03 Ex_ueg -0.1136167E-01 Ec_ueg -0.2068683E-02 Delta_ex -0.1488158E-01 Delta_ec 0.6019973E-02 Delta_et -0.6135562E-01 Pxc 0.5492225E+01 Qxc -0.2472034E+01 3,-1 132 3 +1 1.395231 2.144302 -1.100743 Rho 0.2334209E-01 |GRAD(Rho)| 0.2657299E-14 GRAD(Rho)x 0.2598250E-14 GRAD(Rho)y -0.5558048E-15 GRAD(Rho)z 0.3761150E-16 Laplacian 0.8462588E-01 (-1/4)Del**2(Rho)) -0.2115647E-01 Diamond 0.9867280E-02 Metallicity 0.1552421E+01 Ellipticity -0.4097712E+01 Gb(Abramov) 0.1957827E-01 Vb(Abramov) -0.1800007E-01 Hb(Abramov) 0.1578197E-02 Ex_ueg -0.4926874E-02 Ec_ueg -0.1005609E-02 Delta_ex -0.5143686E-02 Delta_ec 0.1392801E-02 Delta_et -0.1210085E-01 Pxc 0.4899394E+01 Qxc -0.3693051E+01 3,+1 133 3 +1 1.801722 1.791098 1.819343 Rho 0.1160720E-01 |GRAD(Rho)| 0.8261750E-15 GRAD(Rho)x 0.5654901E-15 GRAD(Rho)y -0.5964438E-15 GRAD(Rho)z 0.8390990E-16 Laplacian 0.5460551E-01 (-1/4)Del**2(Rho)) -0.1365138E-01 Diamond 0.1983853E-02 Metallicity 0.7509123E+00 Ellipticity -0.1252892E+01 Gb(Abramov) 0.1080942E-01 Vb(Abramov) -0.7967455E-02 Hb(Abramov) 0.2841961E-02 Ex_ueg -0.1940983E-02 Ec_ueg -0.4414665E-03 Delta_ex -0.2628469E-02 Delta_ec 0.6512831E-03 Delta_et -0.4888837E-02 Pxc 0.4396671E+01 Qxc -0.4035831E+01 3,+1 134 3 +1 2.061554 -2.067070 2.116610 Rho 0.1198989E-01 |GRAD(Rho)| 0.1254792E-16 GRAD(Rho)x -0.3911708E-17 GRAD(Rho)y -0.1070524E-16 GRAD(Rho)z -0.5248482E-17 Laplacian 0.5390007E-01 (-1/4)Del**2(Rho)) -0.1347502E-01 Diamond 0.1715793E-02 Metallicity 0.8030008E+00 Ellipticity -0.1156004E+01 Gb(Abramov) 0.1078675E-01 Vb(Abramov) -0.8098490E-02 Hb(Abramov) 0.2688264E-02 Ex_ueg -0.2026775E-02 Ec_ueg -0.4591024E-03 Delta_ex -0.2521111E-02 Delta_ec 0.4715787E-03 Delta_et -0.3710649E-02 Pxc 0.4414646E+01 Qxc -0.5346110E+01 3,+1 135 3 +1 0.556838 -1.628050 -1.655823 Rho 0.3039296E-02 |GRAD(Rho)| 0.3096559E-17 GRAD(Rho)x -0.7540748E-19 GRAD(Rho)y 0.2502504E-17 GRAD(Rho)z -0.1822216E-17 Laplacian 0.1154660E-01 (-1/4)Del**2(Rho)) -0.2886651E-02 Diamond 0.7845814E-04 Metallicity 0.3805811E+00 Ellipticity -0.1141237E+01 Gb(Abramov) 0.2107535E-02 Vb(Abramov) -0.1328419E-02 Hb(Abramov) 0.7791162E-03 Ex_ueg -0.3251490E-03 Ec_ueg -0.6353681E-04 Delta_ex -0.4159911E-03 Delta_ec 0.1717844E-03 Delta_et -0.8823798E-03 Pxc 0.5117490E+01 Qxc -0.2421588E+01 3,+1 136 3 -1 0.821220 -2.024780 3.059378 Rho 0.1430882E+00 |GRAD(Rho)| 0.4129573E-15 GRAD(Rho)x -0.3417405E-15 GRAD(Rho)y 0.2138047E-15 GRAD(Rho)z -0.8963641E-16 Laplacian 0.5594765E+00 (-1/4)Del**2(Rho)) -0.1398691E+00 Diamond 0.1065304E+01 Metallicity 0.4821376E+01 Ellipticity 0.2327686E-01 Gb(Abramov) 0.2056397E+00 Vb(Abramov) -0.2714102E+00 Hb(Abramov) -0.6577056E-01 Ex_ueg -0.5527433E-01 Ec_ueg -0.8002537E-02 Delta_ex -0.5932812E-01 Delta_ec 0.1424741E-01 Delta_et -0.1881396E+00 Pxc 0.6907100E+01 Qxc -0.4164134E+01 3,-1 137 3 -1 1.698366 -1.789699 0.488058 Rho 0.4669794E-01 |GRAD(Rho)| 0.1962967E-15 GRAD(Rho)x 0.1045768E-15 GRAD(Rho)y -0.1574312E-15 GRAD(Rho)z -0.5302363E-16 Laplacian 0.1817138E+00 (-1/4)Del**2(Rho)) -0.4542844E-01 Diamond 0.8370928E-01 Metallicity 0.2296439E+01 Ellipticity 0.1557961E-01 Gb(Abramov) 0.4767290E-01 Vb(Abramov) -0.4991736E-01 Hb(Abramov) -0.2244460E-02 Ex_ueg -0.1241982E-01 Ec_ueg -0.2233178E-02 Delta_ex -0.1469170E-01 Delta_ec 0.5397211E-02 Delta_et -0.5589638E-01 Pxc 0.5561502E+01 Qxc -0.2722091E+01 3,-1 138 3 +1 1.402541 -1.066531 2.182720 Rho 0.2307664E-01 |GRAD(Rho)| 0.1899998E-16 GRAD(Rho)x 0.9443282E-17 GRAD(Rho)y -0.5829056E-17 GRAD(Rho)z 0.1542225E-16 Laplacian 0.8504125E-01 (-1/4)Del**2(Rho)) -0.2126031E-01 Diamond 0.8785184E-02 Metallicity 0.1515669E+01 Ellipticity -0.2485944E+01 Gb(Abramov) 0.1954414E-01 Vb(Abramov) -0.1782797E-01 Hb(Abramov) 0.1716171E-02 Ex_ueg -0.4852308E-02 Ec_ueg -0.9923719E-03 Delta_ex -0.5035276E-02 Delta_ec 0.1189148E-02 Delta_et -0.1036468E-01 Pxc 0.4889607E+01 Qxc -0.4234355E+01 3,+1 139 3 +3 0.786758 -1.443754 -1.460404 Rho 0.2984304E-02 |GRAD(Rho)| 0.4832068E-17 GRAD(Rho)x 0.2099577E-17 GRAD(Rho)y -0.4352066E-17 GRAD(Rho)z -0.1334015E-19 Laplacian 0.1164061E-01 (-1/4)Del**2(Rho)) -0.2910152E-02 Diamond 0.6114105E-04 Metallicity 0.3661923E+00 Ellipticity -0.8340035E+00 Gb(Abramov) 0.2117714E-02 Vb(Abramov) -0.1325276E-02 Hb(Abramov) 0.7924382E-03 Ex_ueg -0.3173286E-03 Ec_ueg -0.6122800E-04 Delta_ex -0.3880356E-03 Delta_ec 0.1202809E-03 Delta_et -0.6612037E-03 Pxc 0.5182736E+01 Qxc -0.3226079E+01 3,+3 140 3 +1 2.099010 2.038486 -2.052775 Rho 0.1130655E-01 |GRAD(Rho)| 0.1280193E-16 GRAD(Rho)x 0.5583191E-17 GRAD(Rho)y -0.1279365E-19 GRAD(Rho)z 0.1152030E-16 Laplacian 0.4768457E-01 (-1/4)Del**2(Rho)) -0.1192114E-01 Diamond 0.1319467E-02 Metallicity 0.8230995E+00 Ellipticity -0.1141111E+01 Gb(Abramov) 0.9582809E-02 Vb(Abramov) -0.7244476E-02 Hb(Abramov) 0.2338333E-02 Ex_ueg -0.1874241E-02 Ec_ueg -0.4276524E-03 Delta_ex -0.2169340E-02 Delta_ec 0.3723148E-03 Delta_et -0.2946611E-02 Pxc 0.4382626E+01 Qxc -0.5826630E+01 3,+1 141 3 -1 0.852695 3.026243 -2.012903 Rho 0.1145928E+00 |GRAD(Rho)| 0.2355380E-15 GRAD(Rho)x -0.1397537E-15 GRAD(Rho)y 0.1869707E-15 GRAD(Rho)z -0.3144864E-16 Laplacian 0.4662935E+00 (-1/4)Del**2(Rho)) -0.1165734E+00 Diamond 0.6985032E+00 Metallicity 0.3995298E+01 Ellipticity 0.4461571E-02 Gb(Abramov) 0.1553398E+00 Vb(Abramov) -0.1941062E+00 Hb(Abramov) -0.3876644E-01 Ex_ueg -0.4110816E-01 Ec_ueg -0.6217210E-02 Delta_ex -0.4713530E-01 Delta_ec 0.1299493E-01 Delta_et -0.1662404E+00 Pxc 0.6611995E+01 Qxc -0.3627206E+01 3,-1 142 3 +3 2.334297 0.029737 0.037766 Rho 0.3889806E-02 |GRAD(Rho)| 0.9779514E-17 GRAD(Rho)x -0.9467728E-17 GRAD(Rho)y -0.1971627E-17 GRAD(Rho)z 0.1453863E-17 Laplacian 0.1565054E-01 (-1/4)Del**2(Rho)) -0.3912634E-02 Diamond 0.1045049E-03 Metallicity 0.4236078E+00 Ellipticity -0.2329456E+00 Gb(Abramov) 0.2884660E-02 Vb(Abramov) -0.1856685E-02 Hb(Abramov) 0.1027974E-02 Ex_ueg -0.4518098E-03 Ec_ueg -0.9945401E-04 Delta_ex -0.5395899E-03 Delta_ec 0.1313962E-03 Delta_et -0.8106996E-03 Pxc 0.4542902E+01 Qxc -0.4106585E+01 3,+3 143 3 +1 3.049550 0.077052 -0.025230 Rho 0.4842055E-02 |GRAD(Rho)| 0.6279940E-17 GRAD(Rho)x -0.3603203E-18 GRAD(Rho)y 0.4837401E-17 GRAD(Rho)z 0.3988405E-17 Laplacian 0.1866817E-01 (-1/4)Del**2(Rho)) -0.4667042E-02 Diamond 0.4244140E-03 Metallicity 0.5115574E+00 Ellipticity -0.4826859E+01 Gb(Abramov) 0.3509271E-02 Vb(Abramov) -0.2351501E-02 Hb(Abramov) 0.1157771E-02 Ex_ueg -0.6050037E-03 Ec_ueg -0.1401221E-03 Delta_ex -0.9296712E-03 Delta_ec 0.6007451E-03 Delta_et -0.3226009E-02 Pxc 0.4317688E+01 Qxc -0.1547530E+01 3,+1 144 3 -1 1.835970 -2.955371 -0.527102 Rho 0.2099415E+00 |GRAD(Rho)| 0.6609764E-15 GRAD(Rho)x 0.9231981E-16 GRAD(Rho)y 0.1455541E-15 GRAD(Rho)z 0.6381072E-15 Laplacian 0.8316016E+00 (-1/4)Del**2(Rho)) -0.2079004E+00 Diamond 0.2469989E+01 Metallicity 0.6145093E+01 Ellipticity 0.1798856E-01 Gb(Abramov) 0.3515282E+00 Vb(Abramov) -0.4951559E+00 Hb(Abramov) -0.1436278E+00 Ex_ueg -0.9215443E-01 Ec_ueg -0.1238606E-01 Delta_ex -0.9683440E-01 Delta_ec 0.1870724E-01 Delta_et -0.2559273E+00 Pxc 0.7440173E+01 Qxc -0.5176305E+01 3,-1 145 3 +1 1.689764 -1.999944 -1.919744 Rho 0.7454678E-02 |GRAD(Rho)| 0.1666696E-16 GRAD(Rho)x 0.6148014E-17 GRAD(Rho)y -0.4897630E-17 GRAD(Rho)z 0.1469703E-16 Laplacian 0.3322169E-01 (-1/4)Del**2(Rho)) -0.8305422E-02 Diamond 0.1025822E-02 Metallicity 0.5900738E+00 Ellipticity -0.1668549E+01 Gb(Abramov) 0.6353750E-02 Vb(Abramov) -0.4402078E-02 Hb(Abramov) 0.1951672E-02 Ex_ueg -0.1075533E-02 Ec_ueg -0.2540304E-03 Delta_ex -0.1624382E-02 Delta_ec 0.7536245E-03 Delta_et -0.4722531E-02 Pxc 0.4233874E+01 Qxc -0.2155426E+01 3,+1 146 3 -1 1.757847 1.699747 -0.574213 Rho 0.3433506E-01 |GRAD(Rho)| 0.8289549E-16 GRAD(Rho)x 0.1473795E-16 GRAD(Rho)y 0.8155233E-16 GRAD(Rho)z 0.1916412E-17 Laplacian 0.1425103E+00 (-1/4)Del**2(Rho)) -0.3562757E-01 Diamond 0.4631977E-01 Metallicity 0.1753867E+01 Ellipticity 0.2484008E-01 Gb(Abramov) 0.3416605E-01 Vb(Abramov) -0.3270453E-01 Hb(Abramov) 0.1461519E-02 Ex_ueg -0.8242055E-02 Ec_ueg -0.1569307E-02 Delta_ex -0.1089730E-01 Delta_ec 0.4635705E-02 Delta_et -0.4420341E-01 Pxc 0.5252036E+01 Qxc -0.2350733E+01 3,-1 147 3 -1 1.851502 2.807719 0.577051 Rho 0.1022573E+00 |GRAD(Rho)| 0.1590070E-13 GRAD(Rho)x 0.1134088E-13 GRAD(Rho)y -0.4379899E-14 GRAD(Rho)z -0.1024857E-13 Laplacian 0.4415022E+00 (-1/4)Del**2(Rho)) -0.1103756E+00 Diamond 0.5841801E+00 Metallicity 0.3490094E+01 Ellipticity 0.1527821E-01 Gb(Abramov) 0.1377872E+00 Vb(Abramov) -0.1651989E+00 Hb(Abramov) -0.2741166E-01 Ex_ueg -0.3531647E-01 Ec_ueg -0.5461990E-02 Delta_ex -0.4358367E-01 Delta_ec 0.1284612E-01 Delta_et -0.1610346E+00 Pxc 0.6465860E+01 Qxc -0.3392750E+01 3,-1 148 3 -1 2.048020 3.033289 -0.876771 Rho 0.1294518E+00 |GRAD(Rho)| 0.1157206E-12 GRAD(Rho)x 0.7468495E-13 GRAD(Rho)y -0.4130322E-13 GRAD(Rho)z 0.7815028E-13 Laplacian 0.5265878E+00 (-1/4)Del**2(Rho)) -0.1316470E+00 Diamond 0.9102693E+00 Metallicity 0.4335002E+01 Ellipticity 0.1919286E-01 Gb(Abramov) 0.1828796E+00 Vb(Abramov) -0.2341123E+00 Hb(Abramov) -0.5123265E-01 Ex_ueg -0.4836479E-01 Ec_ueg -0.7141418E-02 Delta_ex -0.5475556E-01 Delta_ec 0.1419991E-01 Delta_et -0.1855131E+00 Pxc 0.6772435E+01 Qxc -0.3856050E+01 3,-1 149 3 +3 1.904895 -1.908458 1.950763 Rho 0.1174882E-01 |GRAD(Rho)| 0.1317093E-12 GRAD(Rho)x -0.1160119E-12 GRAD(Rho)y -0.4474941E-13 GRAD(Rho)z 0.4342887E-13 Laplacian 0.5215919E-01 (-1/4)Del**2(Rho)) -0.1303980E-01 Diamond 0.1094360E-02 Metallicity 0.8021820E+00 Ellipticity -0.6989794E+00 Gb(Abramov) 0.1043658E-01 Vb(Abramov) -0.7833363E-02 Hb(Abramov) 0.2603217E-02 Ex_ueg -0.1972624E-02 Ec_ueg -0.4479863E-03 Delta_ex -0.2271405E-02 Delta_ec 0.1803333E-03 Delta_et -0.1731156E-02 Pxc 0.4403313E+01 Qxc -0.1259560E+02 3,+3 150 3 -1 1.991755 -0.880338 3.057956 Rho 0.1097266E+00 |GRAD(Rho)| 0.2189715E-13 GRAD(Rho)x -0.7137472E-14 GRAD(Rho)y 0.2069383E-13 GRAD(Rho)z -0.5543729E-15 Laplacian 0.4550435E+00 (-1/4)Del**2(Rho)) -0.1137609E+00 Diamond 0.6505392E+00 Metallicity 0.3808437E+01 Ellipticity 0.1862025E-01 Gb(Abramov) 0.1480491E+00 Vb(Abramov) -0.1823373E+00 Hb(Abramov) -0.3428822E-01 Ex_ueg -0.3879725E-01 Ec_ueg -0.5917930E-02 Delta_ex -0.4558610E-01 Delta_ec 0.1290285E-01 Delta_et -0.1638488E+00 Pxc 0.6555881E+01 Qxc -0.3533026E+01 3,-1 151 3 +1 2.153902 -1.094547 1.403748 Rho 0.2442460E-01 |GRAD(Rho)| 0.2785604E-16 GRAD(Rho)x -0.2700644E-16 GRAD(Rho)y 0.4232088E-18 GRAD(Rho)z 0.6814105E-17 Laplacian 0.9140668E-01 (-1/4)Del**2(Rho)) -0.2285167E-01 Diamond 0.1121988E-01 Metallicity 0.1550057E+01 Ellipticity -0.3564522E+01 Gb(Abramov) 0.2113801E-01 Vb(Abramov) -0.1942435E-01 Hb(Abramov) 0.1713659E-02 Ex_ueg -0.5233854E-02 Ec_ueg -0.1059787E-02 Delta_ex -0.5609674E-02 Delta_ec 0.1479496E-02 Delta_et -0.1300325E-01 Pxc 0.4938589E+01 Qxc -0.3791612E+01 3,+1 152 3 -1 1.935089 -0.611935 -2.955976 Rho 0.2221418E+00 |GRAD(Rho)| 0.6683884E-11 GRAD(Rho)x -0.4335965E-11 GRAD(Rho)y -0.4608901E-11 GRAD(Rho)z -0.2152147E-11 Laplacian 0.8661040E+00 (-1/4)Del**2(Rho)) -0.2165260E+00 Diamond 0.2757225E+01 Metallicity 0.6482765E+01 Ellipticity 0.6842264E-02 Gb(Abramov) 0.3782985E+00 Vb(Abramov) -0.5400710E+00 Hb(Abramov) -0.1617725E+00 Ex_ueg -0.9936317E-01 Ec_ueg -0.1321337E-01 Delta_ex -0.1023606E+00 Delta_ec 0.1921259E-01 Delta_et -0.2637961E+00 Pxc 0.7519896E+01 Qxc -0.5327786E+01 3,-1 153 3 -1 1.813621 0.570342 2.831157 Rho 0.1135153E+00 |GRAD(Rho)| 0.6755494E-15 GRAD(Rho)x -0.1492540E-15 GRAD(Rho)y 0.5735429E-15 GRAD(Rho)z -0.3242510E-15 Laplacian 0.4870646E+00 (-1/4)Del**2(Rho)) -0.1217662E+00 Diamond 0.7271305E+00 Metallicity 0.3765164E+01 Ellipticity 0.1478730E-01 Gb(Abramov) 0.1575890E+00 Vb(Abramov) -0.1934119E+00 Hb(Abramov) -0.3582288E-01 Ex_ueg -0.4059360E-01 Ec_ueg -0.6150794E-02 Delta_ex -0.4920886E-01 Delta_ec 0.1375148E-01 Delta_et -0.1758260E+00 Pxc 0.6599733E+01 Qxc -0.3578441E+01 3,-1 154 3 -1 2.065699 0.829838 -3.077318 Rho 0.1563471E+00 |GRAD(Rho)| 0.1382405E-14 GRAD(Rho)x 0.7387618E-15 GRAD(Rho)y -0.1082766E-14 GRAD(Rho)z 0.4391967E-15 Laplacian 0.5888366E+00 (-1/4)Del**2(Rho)) -0.1472091E+00 Diamond 0.1262035E+01 Metallicity 0.5310084E+01 Ellipticity 0.2875333E-01 Gb(Abramov) 0.2284216E+00 Vb(Abramov) -0.3096340E+00 Hb(Abramov) -0.8121244E-01 Ex_ueg -0.6220684E-01 Ec_ueg -0.8851050E-02 Delta_ex -0.6395886E-01 Delta_ec 0.1491846E-01 Delta_et -0.2000364E+00 Pxc 0.7028188E+01 Qxc -0.4287230E+01 3,-1 155 3 +3 1.965373 1.911365 -1.931389 Rho 0.1119346E-01 |GRAD(Rho)| 0.8887282E-17 GRAD(Rho)x -0.2857166E-17 GRAD(Rho)y 0.1765170E-17 GRAD(Rho)z -0.8228278E-17 Laplacian 0.4682079E-01 (-1/4)Del**2(Rho)) -0.1170520E-01 Diamond 0.9196982E-03 Metallicity 0.8243568E+00 Ellipticity -0.7630935E+00 Gb(Abramov) 0.9411675E-02 Vb(Abramov) -0.7118152E-02 Hb(Abramov) 0.2293523E-02 Ex_ueg -0.1849287E-02 Ec_ueg -0.4224656E-03 Delta_ex -0.2010568E-02 Delta_ec 0.1629142E-03 Delta_et -0.1554903E-02 Pxc 0.4377367E+01 Qxc -0.1234127E+02 3,+3 156 3 -1 2.000964 -3.037283 0.880187 Rho 0.1214832E+00 |GRAD(Rho)| 0.1705156E-15 GRAD(Rho)x 0.7579251E-16 GRAD(Rho)y 0.1524253E-15 GRAD(Rho)z 0.9879792E-17 Laplacian 0.4602214E+00 (-1/4)Del**2(Rho)) -0.1150553E+00 Diamond 0.7274985E+00 Metallicity 0.4461765E+01 Ellipticity 0.2780729E-01 Gb(Abramov) 0.1622619E+00 Vb(Abramov) -0.2094684E+00 Hb(Abramov) -0.4720653E-01 Ex_ueg -0.4443651E-01 Ec_ueg -0.6643886E-02 Delta_ex -0.4700867E-01 Delta_ec 0.1237082E-01 Delta_et -0.1594848E+00 Pxc 0.6688331E+01 Qxc -0.3799964E+01 3,-1 157 3 -1 2.780555 -1.850961 -0.572231 Rho 0.1497815E+00 |GRAD(Rho)| 0.3795803E-13 GRAD(Rho)x -0.7124292E-14 GRAD(Rho)y -0.2932770E-13 GRAD(Rho)z 0.2302049E-13 Laplacian 0.6103234E+00 (-1/4)Del**2(Rho)) -0.1525809E+00 Diamond 0.1228488E+01 Metallicity 0.4769613E+01 Ellipticity 0.1708905E-01 Gb(Abramov) 0.2230125E+00 Vb(Abramov) -0.2934442E+00 Hb(Abramov) -0.7043166E-01 Ex_ueg -0.5874836E-01 Ec_ueg -0.8429525E-02 Delta_ex -0.6545794E-01 Delta_ec 0.1538101E-01 Delta_et -0.2044570E+00 Pxc 0.6969356E+01 Qxc -0.4255764E+01 3,-1 158 3 -1 2.995489 -2.050917 0.853852 Rho 0.1109069E+00 |GRAD(Rho)| 0.1873945E-15 GRAD(Rho)x -0.1305888E-15 GRAD(Rho)y -0.4330710E-16 GRAD(Rho)z -0.1272311E-15 Laplacian 0.4420548E+00 (-1/4)Del**2(Rho)) -0.1105137E+00 Diamond 0.6133825E+00 Metallicity 0.3990873E+01 Ellipticity 0.1716259E-01 Gb(Abramov) 0.1471835E+00 Vb(Abramov) -0.1838533E+00 Hb(Abramov) -0.3666978E-01 Ex_ueg -0.3935468E-01 Ec_ueg -0.5990361E-02 Delta_ex -0.4399677E-01 Delta_ec 0.1179213E-01 Delta_et -0.1490564E+00 Pxc 0.6569668E+01 Qxc -0.3731027E+01 3,-1 159 3 -1 2.876101 1.839652 0.595403 Rho 0.1201773E+00 |GRAD(Rho)| 0.1913090E-15 GRAD(Rho)x -0.9894022E-16 GRAD(Rho)y -0.1371380E-15 GRAD(Rho)z -0.8946023E-16 Laplacian 0.5118188E+00 (-1/4)Del**2(Rho)) -0.1279547E+00 Diamond 0.8172657E+00 Metallicity 0.3940344E+01 Ellipticity 0.1529241E-01 Gb(Abramov) 0.1693341E+00 Vb(Abramov) -0.2107134E+00 Hb(Abramov) -0.4137936E-01 Ex_ueg -0.4380075E-01 Ec_ueg -0.6562764E-02 Delta_ex -0.5239419E-01 Delta_ec 0.1423825E-01 Delta_et -0.1839441E+00 Pxc 0.6674131E+01 Qxc -0.3679820E+01 3,-1 160 3 -1 2.796874 -0.606514 -1.837845 Rho 0.1135825E+00 |GRAD(Rho)| 0.1300823E-15 GRAD(Rho)x -0.1243478E-15 GRAD(Rho)y -0.9805253E-17 GRAD(Rho)z 0.3691708E-16 Laplacian 0.4604860E+00 (-1/4)Del**2(Rho)) -0.1151215E+00 Diamond 0.6697257E+00 Metallicity 0.3986416E+01 Ellipticity 0.6379261E-02 Gb(Abramov) 0.1532347E+00 Vb(Abramov) -0.1913479E+00 Hb(Abramov) -0.3811320E-01 Ex_ueg -0.4062566E-01 Ec_ueg -0.6154936E-02 Delta_ex -0.4626713E-01 Delta_ec 0.1252993E-01 Delta_et -0.1595454E+00 Pxc 0.6600501E+01 Qxc -0.3692529E+01 3,-1 161 3 -1 3.033987 -0.890072 2.033982 Rho 0.1339332E+00 |GRAD(Rho)| 0.2230059E-15 GRAD(Rho)x 0.1254693E-15 GRAD(Rho)y -0.1170938E-16 GRAD(Rho)z -0.1839891E-15 Laplacian 0.5372924E+00 (-1/4)Del**2(Rho)) -0.1343231E+00 Diamond 0.9712839E+00 Metallicity 0.4496584E+01 Ellipticity 0.2561158E-01 Gb(Abramov) 0.1902146E+00 Vb(Abramov) -0.2461060E+00 Hb(Abramov) -0.5589148E-01 Ex_ueg -0.5060995E-01 Ec_ueg -0.7423080E-02 Delta_ex -0.5637056E-01 Delta_ec 0.1444966E-01 Delta_et -0.1899903E+00 Pxc 0.6817917E+01 Qxc -0.3901168E+01 3,-1 162 3 -1 3.308172 -0.087817 -3.234469 Rho 0.2121144E+00 |GRAD(Rho)| 0.2362727E-12 GRAD(Rho)x -0.1844932E-12 GRAD(Rho)y 0.3443852E-13 GRAD(Rho)z 0.1435305E-12 Laplacian 0.7835449E+00 (-1/4)Del**2(Rho)) -0.1958862E+00 Diamond 0.2402781E+01 Metallicity 0.6634875E+01 Ellipticity 0.1846607E-01 Gb(Abramov) 0.3472042E+00 Vb(Abramov) -0.4985222E+00 Hb(Abramov) -0.1513180E+00 Ex_ueg -0.9342831E-01 Ec_ueg -0.1253280E-01 Delta_ex -0.9177340E-01 Delta_ec 0.1809630E-01 Delta_et -0.2497223E+00 Pxc 0.7454704E+01 Qxc -0.5071390E+01 3,-1 163 3 -1 3.052094 0.800216 -2.027685 Rho 0.1037896E+00 |GRAD(Rho)| 0.1303192E-12 GRAD(Rho)x -0.1889876E-13 GRAD(Rho)y -0.9758884E-13 GRAD(Rho)z -0.8427545E-13 Laplacian 0.4180332E+00 (-1/4)Del**2(Rho)) -0.1045083E+00 Diamond 0.5340177E+00 Metallicity 0.3778550E+01 Ellipticity 0.1401687E-01 Gb(Abramov) 0.1354872E+00 Vb(Abramov) -0.1664661E+00 Hb(Abramov) -0.3097888E-01 Ex_ueg -0.3602384E-01 Ec_ueg -0.5555177E-02 Delta_ex -0.4093499E-01 Delta_ec 0.1127767E-01 Delta_et -0.1407490E+00 Pxc 0.6484733E+01 Qxc -0.3629737E+01 3,-1 164 3 -1 2.858542 0.584832 1.870157 Rho 0.1360060E+00 |GRAD(Rho)| 0.7462805E-12 GRAD(Rho)x -0.1297156E-12 GRAD(Rho)y -0.5112582E-12 GRAD(Rho)z 0.5279426E-12 Laplacian 0.5733278E+00 (-1/4)Del**2(Rho)) -0.1433320E+00 Diamond 0.1056563E+01 Metallicity 0.4323217E+01 Ellipticity 0.1226670E-01 Gb(Abramov) 0.1988305E+00 Vb(Abramov) -0.2543290E+00 Hb(Abramov) -0.5549854E-01 Ex_ueg -0.5165701E-01 Ec_ueg -0.7553808E-02 Delta_ex -0.6038352E-01 Delta_ec 0.1537946E-01 Delta_et -0.2027556E+00 Pxc 0.6838538E+01 Qxc -0.3926243E+01 3,-1 165 3 -1 3.245096 0.035233 3.292389 Rho 0.1930891E+00 |GRAD(Rho)| 0.2731957E-15 GRAD(Rho)x 0.1286406E-15 GRAD(Rho)y -0.4979198E-16 GRAD(Rho)z 0.2358140E-15 Laplacian 0.7302588E+00 (-1/4)Del**2(Rho)) -0.1825647E+00 Diamond 0.2003352E+01 Metallicity 0.6086945E+01 Ellipticity 0.2765743E-02 Gb(Abramov) 0.3069200E+00 Vb(Abramov) -0.4312753E+00 Hb(Abramov) -0.1243553E+00 Ex_ueg -0.8242560E-01 Ec_ueg -0.1125688E-01 Delta_ex -0.8352495E-01 Delta_ec 0.1734660E-01 Delta_et -0.2377305E+00 Pxc 0.7322245E+01 Qxc -0.4815062E+01 3,-1 166 3 -1 3.235131 -3.243398 -0.058762 Rho 0.2135330E+00 |GRAD(Rho)| 0.1191942E-11 GRAD(Rho)x -0.8830861E-12 GRAD(Rho)y 0.7865444E-12 GRAD(Rho)z 0.1491050E-12 Laplacian 0.7917872E+00 (-1/4)Del**2(Rho)) -0.1979468E+00 Diamond 0.2444470E+01 Metallicity 0.6639161E+01 Ellipticity 0.1511580E-01 Gb(Abramov) 0.3509980E+00 Vb(Abramov) -0.5040491E+00 Hb(Abramov) -0.1530512E+00 Ex_ueg -0.9426241E-01 Ec_ueg -0.1262875E-01 Delta_ex -0.9287844E-01 Delta_ec 0.1821784E-01 Delta_et -0.2513826E+00 Pxc 0.7464113E+01 Qxc -0.5098213E+01 3,-1 167 3 -1 3.092937 1.976409 -0.860329 Rho 0.1405312E+00 |GRAD(Rho)| 0.6035676E-15 GRAD(Rho)x -0.6098637E-17 GRAD(Rho)y -0.2748317E-15 GRAD(Rho)z -0.5373306E-15 Laplacian 0.5587873E+00 (-1/4)Del**2(Rho)) -0.1396968E+00 Diamond 0.1070434E+01 Metallicity 0.4684404E+01 Ellipticity 0.2345643E-01 Gb(Abramov) 0.2021973E+00 Vb(Abramov) -0.2646977E+00 Hb(Abramov) -0.6250046E-01 Ex_ueg -0.5396124E-01 Ec_ueg -0.7840155E-02 Delta_ex -0.5931224E-01 Delta_ec 0.1486025E-01 Delta_et -0.1969122E+00 Pxc 0.6882675E+01 Qxc -0.3991336E+01 3,-1 168 3 -1 3.295102 3.252390 0.039765 Rho 0.1925367E+00 |GRAD(Rho)| 0.4482744E-14 GRAD(Rho)x -0.5751693E-15 GRAD(Rho)y -0.1982952E-14 GRAD(Rho)z -0.3978954E-14 Laplacian 0.7268057E+00 (-1/4)Del**2(Rho)) -0.1817014E+00 Diamond 0.1989168E+01 Metallicity 0.6086731E+01 Ellipticity 0.2867043E-02 Gb(Abramov) 0.3054622E+00 Vb(Abramov) -0.4292231E+00 Hb(Abramov) -0.1237608E+00 Ex_ueg -0.8211134E-01 Ec_ueg -0.1122013E-01 Delta_ex -0.8308482E-01 Delta_ec 0.1730520E-01 Delta_et -0.2371909E+00 Pxc 0.7318216E+01 Qxc -0.4801147E+01 3,-1 169 3 -1 -3.297693 3.231336 -0.075257 Rho 0.1871305E+00 |GRAD(Rho)| 0.7863809E-12 GRAD(Rho)x 0.5402472E-12 GRAD(Rho)y -0.5610527E-12 GRAD(Rho)z 0.1083869E-12 Laplacian 0.7143568E+00 (-1/4)Del**2(Rho)) -0.1785892E+00 Diamond 0.1885410E+01 Metallicity 0.5905714E+01 Ellipticity 0.2515310E-02 Gb(Abramov) 0.2948423E+00 Vb(Abramov) -0.4110954E+00 Hb(Abramov) -0.1162531E+00 Ex_ueg -0.7905172E-01 Ec_ueg -0.1086144E-01 Delta_ex -0.8104552E-01 Delta_ec 0.1708708E-01 Delta_et -0.2334078E+00 Pxc 0.7278200E+01 Qxc -0.4743088E+01 3,-1 170 3 -1 -1.773060 1.709222 0.500230 Rho 0.4127040E-01 |GRAD(Rho)| 0.1121518E-15 GRAD(Rho)x -0.1113861E-15 GRAD(Rho)y 0.1267034E-16 GRAD(Rho)z 0.3259171E-17 Laplacian 0.1726639E+00 (-1/4)Del**2(Rho)) -0.4316597E-01 Diamond 0.7275626E-01 Metallicity 0.1967023E+01 Ellipticity 0.1509367E-01 Gb(Abramov) 0.4292872E-01 Vb(Abramov) -0.4269148E-01 Hb(Abramov) 0.2372472E-03 Ex_ueg -0.1053343E-01 Ec_ueg -0.1938344E-02 Delta_ex -0.1384312E-01 Delta_ec 0.5681050E-02 Delta_et -0.5700886E-01 Pxc 0.5434244E+01 Qxc -0.2436718E+01 3,-1 171 3 -1 -0.801660 -3.529872 -1.282417 Rho 0.3209569E+00 |GRAD(Rho)| 0.4775516E-15 GRAD(Rho)x -0.4039204E-15 GRAD(Rho)y 0.2116384E-15 GRAD(Rho)z 0.1418205E-15 Laplacian -0.1619513E+01 (-1/4)Del**2(Rho)) 0.4048781E+00 Diamond 0.5630925E+01 Metallicity -0.6401868E+01 Ellipticity 0.2421625E-02 Gb(Abramov) 0.1620773E+00 Vb(Abramov) -0.7290328E+00 Hb(Abramov) -0.5669555E+00 Ex_ueg -0.1622983E+00 Ec_ueg -0.2021539E-01 Delta_ex 0.1616431E+00 Delta_ec 0.5618502E-01 Delta_et -0.1336508E+01 Pxc 0.8028453E+01 Qxc 0.2876979E+01 3,-1 172 3 -1 -0.823156 2.032103 3.053631 Rho 0.1388185E+00 |GRAD(Rho)| 0.3098747E-14 GRAD(Rho)x -0.3054591E-14 GRAD(Rho)y 0.5037881E-15 GRAD(Rho)z 0.1338177E-15 Laplacian 0.5389460E+00 (-1/4)Del**2(Rho)) -0.1347365E+00 Diamond 0.9921045E+00 Metallicity 0.4758608E+01 Ellipticity 0.2029671E-01 Gb(Abramov) 0.1966840E+00 Vb(Abramov) -0.2586316E+00 Hb(Abramov) -0.6194753E-01 Ex_ueg -0.5308616E-01 Ec_ueg -0.7731622E-02 Delta_ex -0.5675818E-01 Delta_ec 0.1387743E-01 Delta_et -0.1825407E+00 Pxc 0.6866109E+01 Qxc -0.4089964E+01 3,-1 173 3 -1 -0.600923 2.850676 -1.831549 Rho 0.1337027E+00 |GRAD(Rho)| 0.4834544E-09 GRAD(Rho)x 0.3114969E-09 GRAD(Rho)y -0.1396799E-09 GRAD(Rho)z -0.3423264E-09 Laplacian 0.5543407E+00 (-1/4)Del**2(Rho)) -0.1385852E+00 Diamond 0.1000671E+01 Metallicity 0.4345802E+01 Ellipticity 0.1505407E-01 Gb(Abramov) 0.1927674E+00 Vb(Abramov) -0.2469497E+00 Hb(Abramov) -0.5418224E-01 Ex_ueg -0.5049386E-01 Ec_ueg -0.7408563E-02 Delta_ex -0.5814255E-01 Delta_ec 0.1492750E-01 Delta_et -0.1962426E+00 Pxc 0.6815609E+01 Qxc -0.3894995E+01 3,-1 174 3 -1 1.731641 -0.562769 1.726669 Rho 0.3549087E-01 |GRAD(Rho)| 0.5592203E-16 GRAD(Rho)x -0.4853224E-16 GRAD(Rho)y -0.1345893E-16 GRAD(Rho)z -0.2430540E-16 Laplacian 0.1472135E+00 (-1/4)Del**2(Rho)) -0.3680338E-01 Diamond 0.5022091E-01 Metallicity 0.1794154E+01 Ellipticity 0.2702565E-01 Gb(Abramov) 0.3554074E-01 Vb(Abramov) -0.3427811E-01 Hb(Abramov) 0.1262636E-02 Ex_ueg -0.8614046E-02 Ec_ueg -0.1630157E-02 Delta_ex -0.1135858E-01 Delta_ec 0.4808769E-02 Delta_et -0.4627973E-01 Pxc 0.5284180E+01 Qxc -0.2362056E+01 3,-1 175 3 -1 -2.851692 -0.576585 1.874353 Rho 0.1291905E+00 |GRAD(Rho)| 0.1719341E-15 GRAD(Rho)x 0.6146071E-16 GRAD(Rho)y -0.3378645E-16 GRAD(Rho)z -0.1569789E-15 Laplacian 0.5442306E+00 (-1/4)Del**2(Rho)) -0.1360576E+00 Diamond 0.9434555E+00 Metallicity 0.4180367E+01 Ellipticity 0.1514829E-01 Gb(Abramov) 0.1855003E+00 Vb(Abramov) -0.2349429E+00 Hb(Abramov) -0.4944261E-01 Ex_ueg -0.4823465E-01 Ec_ueg -0.7125033E-02 Delta_ex -0.5662311E-01 Delta_ec 0.1479053E-01 Delta_et -0.1933577E+00 Pxc 0.6769744E+01 Qxc -0.3828335E+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 75 120 107 116 136 102 114 126 109 127 113 131 119 173 55 141 122 117 129 121 172 106 123 137 157 144 158 156 166 146 159 147 167 148 168 170 81 85 64 86 169 82 68 54 67 75 62 92 72 94 70 90 60 95 175 93 63 97 59 174 164 153 161 150 165 66 160 152 163 154 162 128 61 111 76 171 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 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1.946154 1.971823 1.781459 1.735060 1.693251 1.726005 1.732549 2.417852 1.954426 1.960006 2.099307 2.028822 1.829341 2.448614 1.929110 1.900267 1.958308 1.903883 1.782635 2.400130 1.916528 1.793183 2.049136 2.012527 1.787888 2.516418 2.000223 2.060629 1.948949 1.979911 1.827486 2.441273 1.869745 1.999256 2.044365 2.139321 1.838350 2.340387 1.984841 2.106862 1.945072 2.038700 1.827895 2.449486 2.201693 2.011828 2.065435 1.839024 1.848448 2.439283 1.972513 2.051536 1.960545 2.030913 1.825230 2.503187 1.952320 2.020682 1.967745 2.042867 1.826301 2.426839 2.026069 1.773376 2.075497 1.911529 1.790591 3.025251 3.501292 3.292674 1.876399 0.995221 29 27 27 27 26 24 23 22 23 22 29 27 25 29 25 27 32 28 29 27 27 27 28 25 24 25 25 24 29 27 27 25 25 25 29 25 26 28 29 24 30 25 28 26 28 27 31 27 26 27 25 24 30 26 27 26 29 28 29 27 25 27 24 24 30 27 24 27 25 25 33 37 35 27 18 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 W As Ta W W Ta Ta Ta Ta Ta Ta W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.3511 2.4039 2.0903 2.3519 2.2803 2.0876 2.0529 2.1045 1.9921 2.1027 2.1047 2.2393 -1.1021 -1.0145 -1.1003 -1.0954 -1.0244 -0.9903 -0.9970 -1.0292 -0.8298 -0.9974 -1.0359 -0.9891 -1.0350 -0.9762 -0.9895 -0.8762 -1.0550 -1.0742 -1.0570 -1.0641 -1.0384 -1.0337 -1.0400 -1.0350 -0.9400 -1.0236 -1.0248 -1.0656 -0.9296 -0.9445 -1.0222 -0.9347 -0.9380 -1.0205 -1.0372 -1.0173 -1.0619 -1.0128 -1.0173 0.3087 2.1234 0.8723 2.1381 2.1285 2.1455 2.1384 2.1445 2.1505 2.1750 2.1349 2.1297 2.1597 1.9353 1.9491 1.9375 1.9344 1.9191 1.9257 1.9263 1.9190 1.9536 1.9237 1.9190 1.9251 1.9191 1.9275 1.9253 1.9529 1.9254 1.9223 1.9255 1.9230 1.9276 1.9293 1.9268 1.9225 1.8619 1.9308 1.9287 1.9218 1.9440 1.9398 1.9288 1.9427 1.9411 1.9290 1.9267 1.9285 1.9224 1.9298 1.9294 0.5516 6.1106 1.1854 6.1043 6.1091 6.1243 6.0996 6.0996 6.0994 6.1049 6.0970 6.0940 6.1323 5.1323 5.0311 5.1289 5.1276 5.0821 5.0375 5.0466 5.0865 4.8442 5.0482 5.0941 5.0378 5.0921 5.0217 5.0382 4.8933 5.1057 5.1281 5.1079 5.1170 5.0850 5.0780 5.0876 5.0916 5.0528 5.0674 5.0689 5.1205 4.9571 4.9773 5.0713 4.9635 4.9691 5.0691 5.0891 5.0667 5.1190 5.0603 5.0653 0.1397 3.3848 10.5383 2.6324 3.3805 3.4206 2.6397 2.6686 2.6110 2.6946 2.6304 2.6367 3.4396 0.0345 0.0343 0.0339 0.0334 0.0233 0.0271 0.0241 0.0237 0.0320 0.0256 0.0229 0.0263 0.0238 0.0270 0.0260 0.0300 0.0239 0.0238 0.0236 0.0241 0.0258 0.0264 0.0256 0.0210 0.0254 0.0254 0.0272 0.0233 0.0286 0.0275 0.0222 0.0285 0.0278 0.0225 0.0213 0.0221 0.0204 0.0226 0.0226 0.0000 14.0301 0.0000 14.0349 14.0300 14.0294 14.0348 14.0346 14.0346 14.0334 14.0349 14.0349 14.0291 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 W As Ta W W Ta Ta Ta Ta Ta Ta W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.483246 2.302175 2.349506 2.484375 2.467950 2.345059 2.328599 2.372042 2.336457 2.351490 2.347269 2.459051 -1.087395 -1.034642 -1.088355 -1.096084 -1.086459 -1.028271 -1.086934 -1.088572 -0.922941 -1.051616 -1.093922 -1.043201 -1.094698 -1.027543 -1.045172 -0.885847 -1.095118 -1.111753 -1.101810 -1.112746 -1.073351 -1.069455 -1.075858 -1.147613 -0.763692 -1.067385 -1.051101 -1.116610 -1.002231 -1.027232 -1.144982 -1.009947 -1.018426 -1.141599 -1.168840 -1.133907 -1.195517 -1.130763 -1.136113 0.030485 1.910638 1.773100 1.827018 1.920496 1.902162 1.822680 1.810054 1.873838 1.857504 1.826179 1.818045 1.937060 -0.669432 -0.661300 -0.671355 -0.680870 -0.830115 -0.769009 -0.852792 -0.842856 -0.822809 -0.794247 -0.818327 -0.803270 -0.848008 -0.776723 -0.796894 -0.749705 -0.943220 -0.951410 -0.952473 -0.969238 -0.919280 -0.918491 -0.917599 -1.114472 -1.040251 -0.924332 -0.883504 -0.963717 -0.949297 -0.979715 -1.121257 -0.957709 -0.971369 -1.116458 -1.143881 -1.095445 -1.183681 -1.102343 -1.108985 0.337070 2.034970 1.689168 1.963223 2.047140 2.018682 1.957860 1.941969 1.977509 1.983706 1.961095 1.953730 2.046469 -0.767575 -0.746292 -0.773352 -0.781503 -0.937955 -0.852588 -0.926587 -0.940865 -0.827785 -0.882144 -0.929048 -0.877424 -0.934099 -0.885595 -0.883309 -0.815718 -0.987634 -0.984212 -0.990423 -1.011359 -0.949538 -0.955914 -0.949961 -1.100515 -1.005639 -0.948753 -0.930465 -1.001798 -0.906411 -0.947792 -1.091451 -0.918231 -0.930843 -1.085256 -1.113117 -1.071582 -1.172544 -1.070146 -1.078636 0.388536 12.73458413 -10.81846584 3.98362141 17.17783676 -49.24084748 -16.23443853 -41.40906880 38.38361637 37.73119183 10.85723111 -344.7149 413.5526 102.6889 -449.0183 -200.1989 -477.6907 Jun21-2024 07:59:36 Nodes: 1 Procs: 1 Jun21-2024 07:59:39 Nodes: 1 Procs: 1 0 Jun21-2024 07:59:43 Nodes: 1 Procs: 1 Jun21-2024 07:59:45 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 07:59:47 Nodes: 1 Procs: 1 Jun21-2024 07:59:50 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 07:59:54 Nodes: 1 Procs: 1 Jun21-2024 07:59:56 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 07:59:58 Nodes: 1 Procs: 1 Jun21-2024 08:00:01 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 08:00:06 Nodes: 1 Procs: 5 *** (NO TITLE) *** -13 -17.15179587 -17.39140297 -17.46593150 -17.46293841 -17.49538082 -17.51328407 -17.51921952 -17.52778255 -17.53643637 -17.54280962 -17.54323069 -17.54624949 -17.54933888 -17.55295769 -17.55368105 -17.55410607 -17.55436236 -17.55452882 -17.55467916 -17.55475022 -17.55479515 -17.55480618 -17.55480942 GEOMETRY CONVERGED