ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 15:00:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 0.05 2.06 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 15:00:55 Nodes: 1 Procs: 1 Jun20-2024 15:01:06 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 15:01:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.07 2.58 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 15:00:55 Nodes: 1 Procs: 1 Jun20-2024 15:01:06 Nodes: 1 Procs: 1 0 Jun20-2024 15:01:09 Nodes: 1 Procs: 1 Jun20-2024 15:01:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 15:01:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.71 0.07 3.88 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 15:00:55 Nodes: 1 Procs: 1 Jun20-2024 15:01:06 Nodes: 1 Procs: 1 0 Jun20-2024 15:01:09 Nodes: 1 Procs: 1 Jun20-2024 15:01:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 15:01:14 Nodes: 1 Procs: 1 Jun20-2024 15:01:17 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 15:01:22 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.63 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 15:00:55 Nodes: 1 Procs: 1 Jun20-2024 15:01:06 Nodes: 1 Procs: 1 0 Jun20-2024 15:01:09 Nodes: 1 Procs: 1 Jun20-2024 15:01:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 15:01:14 Nodes: 1 Procs: 1 Jun20-2024 15:01:17 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 15:01:22 Nodes: 1 Procs: 1 Jun20-2024 15:01:24 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 15:01:27 Hydrogen (TZP) c2-4 c2-4 c2-4 c2-4 c2-4 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.07 3.45 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 15:00:55 Nodes: 1 Procs: 1 Jun20-2024 15:01:06 Nodes: 1 Procs: 1 0 Jun20-2024 15:01:09 Nodes: 1 Procs: 1 Jun20-2024 15:01:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 15:01:14 Nodes: 1 Procs: 1 Jun20-2024 15:01:17 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 15:01:22 Nodes: 1 Procs: 1 Jun20-2024 15:01:24 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 15:01:27 Nodes: 1 Procs: 1 Jun20-2024 15:01:30 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 15:01:36 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2703.785600000006 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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 15:01:17 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun20-2024 15:01:11 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun20-2024 15:01:30 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun20-2024 15:01:24 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun20-2024 15:01:06 1 1 Hydrogen TZP 1 1 -17.19231300 0.23102598 0.00100000 F 0.08375147 0.00066667 F 0.23102598 0.08375147 0.29860296 0.01000000 F 0.06087757 0.00666667 F Cartesian 2703.785600000006 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0.3190144E+03 3,-3 14 3 -3 -1.140721 -0.952250 -0.947078 Rho 0.3190470E+03 3,-3 15 3 -3 0.972889 0.927972 -0.988450 Rho 0.3190061E+03 3,-3 16 3 -3 -0.978046 1.000201 1.019874 Rho 0.3189934E+03 3,-3 17 3 -3 -3.138066 -1.207683 1.184177 Rho 0.3188896E+03 3,-3 18 3 -3 3.116490 -1.153687 -1.156368 Rho 0.3188591E+03 3,-3 19 3 -3 -3.090723 1.120250 -1.131387 Rho 0.3188807E+03 3,-3 20 3 -3 3.097364 1.215279 1.198588 Rho 0.3188099E+03 3,-3 21 3 -3 1.378910 -1.225415 -3.089005 Rho 0.3187300E+03 3,-3 22 3 -3 1.206964 1.205216 3.150839 Rho 0.3188097E+03 3,-3 23 3 -3 -1.232878 1.006362 -3.062653 Rho 0.3188903E+03 3,-3 24 3 -3 -1.256082 -1.224994 3.110129 Rho 0.3188054E+03 3,-3 25 3 -3 -1.227938 2.932778 -1.179014 Rho 0.3188395E+03 3,-3 26 3 -3 -1.218304 -3.040681 1.096393 Rho 0.3188749E+03 3,-3 27 3 -3 1.155424 3.153420 1.193824 Rho 0.3188110E+03 3,-3 28 3 -3 1.239512 -3.011446 -1.184565 Rho 0.3190735E+03 3,-3 29 3 -3 3.433096 -1.572244 1.467667 Rho 0.3188819E+03 3,-3 30 3 -3 -3.528255 -1.549579 -1.491251 Rho 0.3189132E+03 3,-3 31 3 -3 3.486070 1.522570 -1.543746 Rho 0.3189082E+03 3,-3 32 3 -3 -3.497468 1.550532 1.472473 Rho 0.3188972E+03 3,-3 33 3 -3 1.533582 -1.568358 3.503637 Rho 0.3188521E+03 3,-3 34 3 -3 1.593343 1.381917 -3.486373 Rho 0.3188800E+03 3,-3 35 3 -3 -1.594657 1.588641 3.525765 Rho 0.3188496E+03 3,-3 36 3 -3 -1.910862 -1.625095 -3.546389 Rho 0.3186947E+03 3,-3 37 3 -3 -1.569435 -3.482012 -1.532720 Rho 0.3186903E+03 3,-3 38 3 -3 -1.597477 3.490680 1.487769 Rho 0.3189314E+03 3,-3 39 3 -3 1.545536 -3.509475 1.477307 Rho 0.3188852E+03 3,-3 40 3 -3 1.517574 3.455897 -1.594071 Rho 0.3188590E+03 3,-3 41 3 -3 -0.219309 -3.894175 3.784348 Rho 0.3190703E+03 3,-3 42 3 -3 3.980981 -0.186557 -3.729810 Rho 0.3191812E+03 3,-3 43 3 -3 -0.233152 3.655695 -3.896130 Rho 0.3190808E+03 3,-3 44 3 -3 0.192664 3.876856 3.865094 Rho 0.3190622E+03 3,-3 45 3 -3 3.781601 -3.840136 -0.254580 Rho 0.3191655E+03 3,-3 46 3 -3 3.828405 3.890295 0.203269 Rho 0.3190606E+03 3,-3 47 3 -3 -3.789224 3.780360 -0.252885 Rho 0.3191959E+03 3,-3 48 3 -3 -3.833589 -3.773810 0.200758 Rho 0.3191912E+03 3,-3 49 3 -3 -3.918829 0.320385 -3.681630 Rho 0.3191956E+03 3,-3 50 3 -3 -3.903708 -0.156333 3.854620 Rho 0.3190745E+03 3,-3 51 3 -3 3.909560 0.141323 3.811356 Rho 0.3190595E+03 3,-3 52 3 -3 -1.695883 -2.353938 -2.889965 Rho 0.4370970E+00 3,-3 53 3 -3 -0.604397 -3.290545 -1.363668 Rho 0.4438270E+00 3,-3 54 3 -3 1.221279 -1.930307 -2.375380 Rho 0.4253263E+00 3,-3 55 3 +1 -2.313084 -1.163981 -1.258728 Rho 0.3027837E-01 |GRAD(Rho)| 0.3428329E-16 GRAD(Rho)x 0.3160478E-16 GRAD(Rho)y 0.1318237E-16 GRAD(Rho)z -0.1645192E-17 Laplacian 0.1262462E+00 (-1/4)Del**2(Rho)) -0.3156155E-01 Diamond 0.2277831E-01 Metallicity 0.1605520E+01 Ellipticity -0.6142175E+01 Gb(Abramov) 0.2948648E-01 Vb(Abramov) -0.2741142E-01 Hb(Abramov) 0.2075068E-02 Ex_ueg -0.6969930E-02 Ec_ueg -0.1357975E-02 Delta_ex -0.8374294E-02 Delta_ec 0.2334604E-02 Delta_et -0.2156418E-01 Pxc 0.5132591E+01 Qxc -0.3587029E+01 3,+1 56 3 +1 1.437856 2.161886 -1.032573 Rho 0.2383867E-01 |GRAD(Rho)| 0.1170724E-14 GRAD(Rho)x 0.5864557E-15 GRAD(Rho)y 0.1006802E-14 GRAD(Rho)z 0.1140761E-15 Laplacian 0.8656932E-01 (-1/4)Del**2(Rho)) -0.2164233E-01 Diamond 0.9134055E-02 Metallicity 0.1571758E+01 Ellipticity -0.2484589E+01 Gb(Abramov) 0.2009764E-01 Vb(Abramov) -0.1855295E-01 Hb(Abramov) 0.1544691E-02 Ex_ueg -0.5067118E-02 Ec_ueg -0.1030422E-02 Delta_ex -0.5146088E-02 Delta_ec 0.1165159E-02 Delta_et -0.1024608E-01 Pxc 0.4917515E+01 Qxc -0.4416639E+01 3,+1 57 3 +1 -1.775745 -0.478005 0.655082 Rho 0.8115837E-02 |GRAD(Rho)| 0.1757730E-12 GRAD(Rho)x -0.9679312E-13 GRAD(Rho)y 0.9870171E-13 GRAD(Rho)z -0.1085597E-12 Laplacian 0.3060238E-01 (-1/4)Del**2(Rho)) -0.7650594E-02 Diamond 0.7505760E-03 Metallicity 0.7380406E+00 Ellipticity -0.1450665E+01 Gb(Abramov) 0.6041471E-02 Vb(Abramov) -0.4432348E-02 Hb(Abramov) 0.1609123E-02 Ex_ueg -0.1204563E-02 Ec_ueg -0.2833697E-03 Delta_ex -0.1374704E-02 Delta_ec 0.4252186E-03 Delta_et -0.2867756E-02 Pxc 0.4250853E+01 Qxc -0.3232934E+01 3,+1 58 3 +1 0.561171 0.526022 1.744669 Rho 0.7140913E-02 |GRAD(Rho)| 0.1154343E-10 GRAD(Rho)x -0.5450741E-11 GRAD(Rho)y -0.7114294E-11 GRAD(Rho)z -0.7275104E-11 Laplacian 0.2638930E-01 (-1/4)Del**2(Rho)) -0.6597325E-02 Diamond 0.5359232E-03 Metallicity 0.6914724E+00 Ellipticity -0.1406593E+01 Gb(Abramov) 0.5158528E-02 Vb(Abramov) -0.3719731E-02 Hb(Abramov) 0.1438797E-02 Ex_ueg -0.1015602E-02 Ec_ueg -0.2401774E-03 Delta_ex -0.1143447E-02 Delta_ec 0.3585623E-03 Delta_et -0.2346587E-02 Pxc 0.4228548E+01 Qxc -0.3188978E+01 3,+1 59 3 +1 -1.748700 0.601269 -0.442835 Rho 0.8948376E-02 |GRAD(Rho)| 0.1223002E-13 GRAD(Rho)x -0.1118961E-13 GRAD(Rho)y 0.4861894E-14 GRAD(Rho)z -0.8532878E-15 Laplacian 0.3495857E-01 (-1/4)Del**2(Rho)) -0.8739641E-02 Diamond 0.9697543E-03 Metallicity 0.7602678E+00 Ellipticity -0.1439338E+01 Gb(Abramov) 0.6933839E-02 Vb(Abramov) -0.5128037E-02 Hb(Abramov) 0.1805802E-02 Ex_ueg -0.1372073E-02 Ec_ueg -0.3205942E-03 Delta_ex -0.1605591E-02 Delta_ec 0.4783253E-03 Delta_et -0.3313750E-02 Pxc 0.4279782E+01 Qxc -0.3356694E+01 3,+1 60 3 +1 2.188396 1.440952 -1.013890 Rho 0.2299725E-01 |GRAD(Rho)| 0.6182474E-16 GRAD(Rho)x 0.4849041E-16 GRAD(Rho)y 0.3569107E-16 GRAD(Rho)z 0.1404017E-16 Laplacian 0.8617620E-01 (-1/4)Del**2(Rho)) -0.2154405E-01 Diamond 0.8907364E-02 Metallicity 0.1487142E+01 Ellipticity -0.2433528E+01 Gb(Abramov) 0.1970254E-01 Vb(Abramov) -0.1786104E-01 Hb(Abramov) 0.1841507E-02 Ex_ueg -0.4830065E-02 Ec_ueg -0.9884172E-03 Delta_ex -0.5103407E-02 Delta_ec 0.1215251E-02 Delta_et -0.1058022E-01 Pxc 0.4886666E+01 Qxc -0.4199469E+01 3,+1 61 3 +1 -3.068774 0.140951 0.208518 Rho 0.5254727E-02 |GRAD(Rho)| 0.1084381E-14 GRAD(Rho)x -0.1111422E-15 GRAD(Rho)y 0.7919231E-15 GRAD(Rho)z 0.7323840E-15 Laplacian 0.2108082E-01 (-1/4)Del**2(Rho)) -0.5270204E-02 Diamond 0.4760396E-03 Metallicity 0.5191697E+00 Ellipticity -0.2225182E+01 Gb(Abramov) 0.3969491E-02 Vb(Abramov) -0.2668778E-02 Hb(Abramov) 0.1300713E-02 Ex_ueg -0.6747123E-03 Ec_ueg -0.1578912E-03 Delta_ex -0.1015206E-02 Delta_ec 0.5869659E-03 Delta_et -0.3266510E-02 Pxc 0.4273274E+01 Qxc -0.1729583E+01 3,+1 62 3 -1 -3.333316 0.129780 -3.150930 Rho 0.2272446E+00 |GRAD(Rho)| 0.1694359E-15 GRAD(Rho)x -0.1350916E-15 GRAD(Rho)y 0.9874371E-16 GRAD(Rho)z -0.2661716E-16 Laplacian 0.8482968E+00 (-1/4)Del**2(Rho)) -0.2120742E+00 Diamond 0.2802632E+01 Metallicity 0.6874185E+01 Ellipticity 0.4185289E-02 Gb(Abramov) 0.3843557E+00 Vb(Abramov) -0.5566371E+00 Hb(Abramov) -0.1722815E+00 Ex_ueg -0.1024180E+00 Ec_ueg -0.1356183E-01 Delta_ex -0.1010060E+00 Delta_ec 0.1897284E-01 Delta_et -0.2619322E+00 Pxc 0.7551935E+01 Qxc -0.5323714E+01 3,-1 63 3 -1 -1.858897 -0.509019 -1.698710 Rho 0.5189261E-01 |GRAD(Rho)| 0.1192293E-15 GRAD(Rho)x -0.7124055E-16 GRAD(Rho)y 0.3991113E-16 GRAD(Rho)z -0.8687636E-16 Laplacian 0.2070150E+00 (-1/4)Del**2(Rho)) -0.5175376E-01 Diamond 0.1109850E+00 Metallicity 0.2403184E+01 Ellipticity 0.2195498E-01 Gb(Abramov) 0.5523148E-01 Vb(Abramov) -0.5870919E-01 Hb(Abramov) -0.3477717E-02 Ex_ueg -0.1429527E-01 Ec_ueg -0.2519754E-02 Delta_ex -0.1722518E-01 Delta_ec 0.6210942E-02 Delta_et -0.6614376E-01 Pxc 0.5673280E+01 Qxc -0.2773360E+01 3,-1 64 3 -1 -1.746118 0.555336 1.800566 Rho 0.4044534E-01 |GRAD(Rho)| 0.1902219E-15 GRAD(Rho)x 0.6032865E-16 GRAD(Rho)y 0.6420552E-16 GRAD(Rho)z -0.1685896E-15 Laplacian 0.1694801E+00 (-1/4)Del**2(Rho)) -0.4237002E-01 Diamond 0.6871673E-01 Metallicity 0.1937650E+01 Ellipticity 0.1715230E-01 Gb(Abramov) 0.4192972E-01 Vb(Abramov) -0.4148943E-01 Hb(Abramov) 0.4402937E-03 Ex_ueg -0.1025360E-01 Ec_ueg -0.1893968E-02 Delta_ex -0.1347758E-01 Delta_ec 0.5498710E-02 Delta_et -0.5486490E-01 Pxc 0.5413819E+01 Qxc -0.2451044E+01 3,-1 65 3 -1 -1.842868 -1.695972 -0.483798 Rho 0.5417714E-01 |GRAD(Rho)| 0.8898961E-12 GRAD(Rho)x 0.8061468E-13 GRAD(Rho)y -0.7663896E-12 GRAD(Rho)z 0.4450431E-12 Laplacian 0.2151744E+00 (-1/4)Del**2(Rho)) -0.5379360E-01 Diamond 0.1210602E+00 Metallicity 0.2484177E+01 Ellipticity 0.1721124E-01 Gb(Abramov) 0.5813454E-01 Vb(Abramov) -0.6247549E-01 Hb(Abramov) -0.4340942E-02 Ex_ueg -0.1514048E-01 Ec_ueg -0.2647039E-02 Delta_ex -0.1805127E-01 Delta_ec 0.6366750E-02 Delta_et -0.6853362E-01 Pxc 0.5719782E+01 Qxc -0.2835240E+01 3,-1 66 3 -1 -3.273912 -3.194738 0.085101 Rho 0.2263581E+00 |GRAD(Rho)| 0.4256947E-14 GRAD(Rho)x -0.3279874E-14 GRAD(Rho)y 0.1040238E-14 GRAD(Rho)z -0.2506377E-14 Laplacian 0.8468366E+00 (-1/4)Del**2(Rho)) -0.2117091E+00 Diamond 0.2783999E+01 Metallicity 0.6841324E+01 Ellipticity 0.1965560E-02 Gb(Abramov) 0.3825346E+00 Vb(Abramov) -0.5533600E+00 Hb(Abramov) -0.1708254E+00 Ex_ueg -0.1018856E+00 Ec_ueg -0.1350118E-01 Delta_ex -0.1007259E+00 Delta_ec 0.1895460E-01 Delta_et -0.2616032E+00 Pxc 0.7546423E+01 Qxc -0.5314060E+01 3,-1 67 3 +3 -1.171714 1.078947 -1.144767 Rho 0.5252634E-02 |GRAD(Rho)| 0.8693047E-12 GRAD(Rho)x 0.1581491E-13 GRAD(Rho)y 0.2767893E-13 GRAD(Rho)z 0.8687200E-12 Laplacian 0.2023545E-01 (-1/4)Del**2(Rho)) -0.5058863E-02 Diamond 0.1522603E-03 Metallicity 0.5404997E+00 Ellipticity -0.3146067E+00 Gb(Abramov) 0.3828294E-02 Vb(Abramov) -0.2597726E-02 Hb(Abramov) 0.1230569E-02 Ex_ueg -0.6743539E-03 Ec_ueg -0.1578008E-03 Delta_ex -0.7097028E-03 Delta_ec 0.9080461E-04 Delta_et -0.7201346E-03 Pxc 0.4273450E+01 Qxc -0.7815713E+01 3,+3 68 3 -1 -3.084438 -1.994307 -0.816675 Rho 0.1369302E+00 |GRAD(Rho)| 0.1157199E-12 GRAD(Rho)x 0.2288827E-13 GRAD(Rho)y -0.7506407E-13 GRAD(Rho)z 0.8504467E-13 Laplacian 0.5404192E+00 (-1/4)Del**2(Rho)) -0.1351048E+00 Diamond 0.9808201E+00 Metallicity 0.4638539E+01 Ellipticity 0.5337463E-01 Gb(Abramov) 0.1945180E+00 Vb(Abramov) -0.2539312E+00 Hb(Abramov) -0.5941321E-01 Ex_ueg -0.5212556E-01 Ec_ueg -0.7612184E-02 Delta_ex -0.5674920E-01 Delta_ec 0.1400670E-01 Delta_et -0.1839486E+00 Pxc 0.6847649E+01 Qxc -0.4051576E+01 3,-1 69 3 +1 -1.832747 -1.792115 1.794702 Rho 0.1134311E-01 |GRAD(Rho)| 0.1489772E-16 GRAD(Rho)x 0.1311882E-16 GRAD(Rho)y -0.7027171E-17 GRAD(Rho)z -0.6765247E-18 Laplacian 0.5340099E-01 (-1/4)Del**2(Rho)) -0.1335025E-01 Diamond 0.1912278E-02 Metallicity 0.7389542E+00 Ellipticity -0.1267144E+01 Gb(Abramov) 0.1054437E-01 Vb(Abramov) -0.7738490E-02 Hb(Abramov) 0.2805879E-02 Ex_ueg -0.1882325E-02 Ec_ueg -0.4293303E-03 Delta_ex -0.2564923E-02 Delta_ec 0.6549976E-03 Delta_et -0.4874215E-02 Pxc 0.4384329E+01 Qxc -0.3915927E+01 3,+1 70 3 -1 -2.883362 -1.812726 0.612531 Rho 0.1693285E+00 |GRAD(Rho)| 0.2542812E-15 GRAD(Rho)x -0.1715750E-15 GRAD(Rho)y 0.7115077E-16 GRAD(Rho)z 0.1736621E-15 Laplacian 0.6938703E+00 (-1/4)Del**2(Rho)) -0.1734676E+00 Diamond 0.1614703E+01 Metallicity 0.5146971E+01 Ellipticity 0.1760126E-01 Gb(Abramov) 0.2644505E+00 Vb(Abramov) -0.3554334E+00 Hb(Abramov) -0.9098290E-01 Ex_ueg -0.6918711E-01 Ec_ueg -0.9692091E-02 Delta_ex -0.7668729E-01 Delta_ec 0.1689544E-01 Delta_et -0.2279490E+00 Pxc 0.7138512E+01 Qxc -0.4538935E+01 3,-1 71 3 +1 -2.301773 -2.204661 -2.067208 Rho 0.1339145E-01 |GRAD(Rho)| 0.1090408E-16 GRAD(Rho)x 0.5130009E-17 GRAD(Rho)y -0.3531888E-17 GRAD(Rho)z 0.8950292E-17 Laplacian 0.5959859E-01 (-1/4)Del**2(Rho)) -0.1489965E-01 Diamond 0.2599627E-02 Metallicity 0.8731514E+00 Ellipticity -0.1357127E+01 Gb(Abramov) 0.1210137E-01 Vb(Abramov) -0.9303099E-02 Hb(Abramov) 0.2798275E-02 Ex_ueg -0.2348668E-02 Ec_ueg -0.5241781E-03 Delta_ex -0.2971833E-02 Delta_ec 0.6948758E-03 Delta_et -0.5408054E-02 Pxc 0.4480669E+01 Qxc -0.4276784E+01 3,+1 72 3 +1 -1.808542 1.675137 -1.793055 Rho 0.1175592E-01 |GRAD(Rho)| 0.1899686E-16 GRAD(Rho)x 0.3475719E-17 GRAD(Rho)y -0.1303947E-16 GRAD(Rho)z -0.1337058E-16 Laplacian 0.5663187E-01 (-1/4)Del**2(Rho)) -0.1415797E-01 Diamond 0.2164147E-02 Metallicity 0.7395707E+00 Ellipticity -0.1274341E+01 Gb(Abramov) 0.1118378E-01 Vb(Abramov) -0.8209595E-02 Hb(Abramov) 0.2974186E-02 Ex_ueg -0.1974211E-02 Ec_ueg -0.4483130E-03 Delta_ex -0.2756180E-02 Delta_ec 0.7127827E-03 Delta_et -0.5335180E-02 Pxc 0.4403646E+01 Qxc -0.3866789E+01 3,+1 73 3 -1 -3.097222 -0.864197 -1.970142 Rho 0.1269299E+00 |GRAD(Rho)| 0.6185271E-15 GRAD(Rho)x 0.2597545E-15 GRAD(Rho)y 0.5306221E-15 GRAD(Rho)z -0.1831489E-15 Laplacian 0.4864851E+00 (-1/4)Del**2(Rho)) -0.1216213E+00 Diamond 0.8101751E+00 Metallicity 0.4540989E+01 Ellipticity 0.1932562E-01 Gb(Abramov) 0.1731277E+00 Vb(Abramov) -0.2246340E+00 Hb(Abramov) -0.5150638E-01 Ex_ueg -0.4711261E-01 Ec_ueg -0.6983497E-02 Delta_ex -0.5020959E-01 Delta_ec 0.1293220E-01 Delta_et -0.1679554E+00 Pxc 0.6746278E+01 Qxc -0.3882526E+01 3,-1 74 3 -1 -3.223451 3.229053 -0.063338 Rho 0.2277732E+00 |GRAD(Rho)| 0.1613972E-14 GRAD(Rho)x -0.1317143E-14 GRAD(Rho)y 0.8590134E-15 GRAD(Rho)z -0.3635059E-15 Laplacian 0.8419952E+00 (-1/4)Del**2(Rho)) -0.2104988E+00 Diamond 0.2794717E+01 Metallicity 0.6952503E+01 Ellipticity 0.2686971E-02 Gb(Abramov) 0.3842481E+00 Vb(Abramov) -0.5579974E+00 Hb(Abramov) -0.1737493E+00 Ex_ueg -0.1027358E+00 Ec_ueg -0.1359800E-01 Delta_ex -0.1003454E+00 Delta_ec 0.1887138E-01 Delta_et -0.2607759E+00 Pxc 0.7555212E+01 Qxc -0.5317332E+01 3,-1 75 3 +1 1.995909 -2.049071 2.019722 Rho 0.1137904E-01 |GRAD(Rho)| 0.7014819E-14 GRAD(Rho)x -0.5892324E-14 GRAD(Rho)y -0.1714910E-14 GRAD(Rho)z -0.3398131E-14 Laplacian 0.4830045E-01 (-1/4)Del**2(Rho)) -0.1207511E-01 Diamond 0.1254545E-02 Metallicity 0.8213057E+00 Ellipticity -0.1070380E+01 Gb(Abramov) 0.9702969E-02 Vb(Abramov) -0.7330824E-02 Hb(Abramov) 0.2372145E-02 Ex_ueg -0.1890279E-02 Ec_ueg -0.4309798E-03 Delta_ex -0.2172181E-02 Delta_ec 0.3251611E-03 Delta_et -0.2644879E-02 Pxc 0.4386004E+01 Qxc -0.6680322E+01 3,+1 76 3 -1 -1.737399 1.754679 0.575472 Rho 0.4669901E-01 |GRAD(Rho)| 0.8603491E-16 GRAD(Rho)x -0.3417609E-16 GRAD(Rho)y 0.1400527E-16 GRAD(Rho)z -0.7770363E-16 Laplacian 0.1846982E+00 (-1/4)Del**2(Rho)) -0.4617455E-01 Diamond 0.8405180E-01 Metallicity 0.2259418E+01 Ellipticity 0.1615385E-01 Gb(Abramov) 0.4817097E-01 Vb(Abramov) -0.5016739E-01 Hb(Abramov) -0.1996419E-02 Ex_ueg -0.1242020E-01 Ec_ueg -0.2233236E-02 Delta_ex -0.1488422E-01 Delta_ec 0.5398619E-02 Delta_et -0.5589133E-01 Pxc 0.5561525E+01 Qxc -0.2757042E+01 3,-1 77 3 +3 -2.432906 0.080079 0.159396 Rho 0.4466616E-02 |GRAD(Rho)| 0.5414435E-17 GRAD(Rho)x 0.3284190E-17 GRAD(Rho)y -0.3165601E-17 GRAD(Rho)z -0.2917049E-17 Laplacian 0.1838035E-01 (-1/4)Del**2(Rho)) -0.4595087E-02 Diamond 0.1522724E-03 Metallicity 0.4541756E+00 Ellipticity -0.3409394E+00 Gb(Abramov) 0.3411221E-02 Vb(Abramov) -0.2227354E-02 Hb(Abramov) 0.1183866E-02 Ex_ueg -0.5432794E-03 Ec_ueg -0.1240318E-03 Delta_ex -0.6611491E-03 Delta_ec 0.1624301E-03 Delta_et -0.1022875E-02 Pxc 0.4380161E+01 Qxc -0.4070362E+01 3,+3 78 3 -1 -2.867426 -0.569169 1.878079 Rho 0.9811340E-01 |GRAD(Rho)| 0.5298118E-13 GRAD(Rho)x 0.9364488E-14 GRAD(Rho)y 0.3426923E-13 GRAD(Rho)z 0.3930563E-13 Laplacian 0.4263749E+00 (-1/4)Del**2(Rho)) -0.1065937E+00 Diamond 0.5401558E+00 Metallicity 0.3373148E+01 Ellipticity 0.2006032E-01 Gb(Abramov) 0.1309885E+00 Vb(Abramov) -0.1553834E+00 Hb(Abramov) -0.2439483E-01 Ex_ueg -0.3342126E-01 Ec_ueg -0.5210911E-02 Delta_ex -0.4175215E-01 Delta_ec 0.1262568E-01 Delta_et -0.1570530E+00 Pxc 0.6413708E+01 Qxc -0.3306924E+01 3,-1 79 3 -1 -3.293288 -0.015984 3.300799 Rho 0.2043870E+00 |GRAD(Rho)| 0.2946864E-15 GRAD(Rho)x -0.1713039E-16 GRAD(Rho)y 0.3466736E-16 GRAD(Rho)z 0.2921383E-15 Laplacian 0.7709563E+00 (-1/4)Del**2(Rho)) -0.1927391E+00 Diamond 0.2251944E+01 Metallicity 0.6338776E+01 Ellipticity 0.2661630E-02 Gb(Abramov) 0.3321144E+00 Vb(Abramov) -0.4714897E+00 Hb(Abramov) -0.1393753E+00 Ex_ueg -0.8891793E-01 Ec_ueg -0.1201213E-01 Delta_ex -0.8938376E-01 Delta_ec 0.1788304E-01 Delta_et -0.2457324E+00 Pxc 0.7402345E+01 Qxc -0.4998241E+01 3,-1 80 3 +1 0.011665 -0.041568 3.042769 Rho 0.4345899E-02 |GRAD(Rho)| 0.2752007E-17 GRAD(Rho)x -0.2316576E-17 GRAD(Rho)y 0.1219766E-17 GRAD(Rho)z -0.8480500E-18 Laplacian 0.1627537E-01 (-1/4)Del**2(Rho)) -0.4068842E-02 Diamond 0.3186387E-03 Metallicity 0.4900214E+00 Ellipticity -0.4815095E+01 Gb(Abramov) 0.3044865E-02 Vb(Abramov) -0.2020887E-02 Hb(Abramov) 0.1023977E-02 Ex_ueg -0.5237908E-03 Ec_ueg -0.1188737E-03 Delta_ex -0.7926048E-03 Delta_ec 0.5210271E-03 Delta_et -0.2709288E-02 Pxc 0.4406281E+01 Qxc -0.1521235E+01 3,+1 81 3 -1 -2.869076 0.555996 -1.780217 Rho 0.1548197E+00 |GRAD(Rho)| 0.2344318E-11 GRAD(Rho)x 0.5182822E-12 GRAD(Rho)y -0.1485834E-11 GRAD(Rho)z -0.1737673E-11 Laplacian 0.6518597E+00 (-1/4)Del**2(Rho)) -0.1629649E+00 Diamond 0.1364292E+01 Metallicity 0.4718848E+01 Ellipticity 0.2354087E-01 Gb(Abramov) 0.2368110E+00 Vb(Abramov) -0.3106572E+00 Hb(Abramov) -0.7384614E-01 Ex_ueg -0.6139786E-01 Ec_ueg -0.8752753E-02 Delta_ex -0.7047616E-01 Delta_ec 0.1627542E-01 Delta_et -0.2172714E+00 Pxc 0.7014692E+01 Qxc -0.4330221E+01 3,-1 82 3 +1 -0.566389 1.611955 -0.564043 Rho 0.8899216E-02 |GRAD(Rho)| 0.3050019E-12 GRAD(Rho)x 0.2263360E-12 GRAD(Rho)y -0.1228109E-12 GRAD(Rho)z 0.1634494E-12 Laplacian 0.3365921E-01 (-1/4)Del**2(Rho)) -0.8414802E-02 Diamond 0.9489950E-03 Metallicity 0.7824000E+00 Ellipticity -0.1503581E+01 Gb(Abramov) 0.6707158E-02 Vb(Abramov) -0.4999514E-02 Hb(Abramov) 0.1707644E-02 Ex_ueg -0.1362032E-02 Ec_ueg -0.3183877E-03 Delta_ex -0.1553332E-02 Delta_ec 0.4776679E-03 Delta_et -0.3290406E-02 Pxc 0.4277905E+01 Qxc -0.3251907E+01 3,+1 83 3 -1 -2.252787 -0.912673 -3.045626 Rho 0.1331969E+00 |GRAD(Rho)| 0.1643978E-15 GRAD(Rho)x -0.7829295E-16 GRAD(Rho)y -0.8077306E-16 GRAD(Rho)z 0.1198857E-15 Laplacian 0.4948515E+00 (-1/4)Del**2(Rho)) -0.1237129E+00 Diamond 0.8845560E+00 Metallicity 0.4837584E+01 Ellipticity 0.1072433E+00 Gb(Abramov) 0.1822205E+00 Vb(Abramov) -0.2407281E+00 Hb(Abramov) -0.5850762E-01 Ex_ueg -0.5023934E-01 Ec_ueg -0.7376715E-02 Delta_ex -0.5180122E-01 Delta_ec 0.1324024E-01 Delta_et -0.1737701E+00 Pxc 0.6810530E+01 Qxc -0.3912407E+01 3,-1 84 3 +1 -0.125879 -2.165421 -1.103341 Rho 0.7197496E-02 |GRAD(Rho)| 0.7924805E-17 GRAD(Rho)x -0.7122375E-17 GRAD(Rho)y -0.3203294E-17 GRAD(Rho)z -0.1346559E-17 Laplacian 0.2784261E-01 (-1/4)Del**2(Rho)) -0.6960651E-02 Diamond 0.8959412E-03 Metallicity 0.6640575E+00 Ellipticity -0.2481257E+01 Gb(Abramov) 0.5410813E-02 Vb(Abramov) -0.3860975E-02 Hb(Abramov) 0.1549838E-02 Ex_ueg -0.1026346E-02 Ec_ueg -0.2426722E-03 Delta_ex -0.1394136E-02 Delta_ec 0.7091993E-03 Delta_et -0.4358839E-02 Pxc 0.4229350E+01 Qxc -0.1965789E+01 3,+1 85 3 +1 -0.338431 -1.244987 -2.599405 Rho 0.3338911E-02 |GRAD(Rho)| 0.4082847E-17 GRAD(Rho)x 0.3504870E-17 GRAD(Rho)y 0.2043860E-17 GRAD(Rho)z 0.4562449E-18 Laplacian 0.1282390E-01 (-1/4)Del**2(Rho)) -0.3205974E-02 Diamond 0.1179183E-03 Metallicity 0.4008064E+00 Ellipticity -0.1301802E+01 Gb(Abramov) 0.2351478E-02 Vb(Abramov) -0.1496983E-02 Hb(Abramov) 0.8544955E-03 Ex_ueg -0.3685742E-03 Ec_ueg -0.7614505E-04 Delta_ex -0.5021687E-03 Delta_ec 0.2448122E-03 Delta_et -0.1243032E-02 Pxc 0.4840422E+01 Qxc -0.2051241E+01 3,+1 86 3 +1 0.406044 -0.860669 -1.755844 Rho 0.5200279E-02 |GRAD(Rho)| 0.1420760E-16 GRAD(Rho)x -0.8687635E-17 GRAD(Rho)y 0.7976495E-17 GRAD(Rho)z 0.7921889E-17 Laplacian 0.2044084E-01 (-1/4)Del**2(Rho)) -0.5110210E-02 Diamond 0.4305183E-03 Metallicity 0.5262097E+00 Ellipticity -0.2041433E+01 Gb(Abramov) 0.3854980E-02 Vb(Abramov) -0.2599751E-02 Hb(Abramov) 0.1255230E-02 Ex_ueg -0.6654068E-03 Ec_ueg -0.1555418E-03 Delta_ex -0.9605965E-03 Delta_ec 0.5303743E-03 Delta_et -0.2960134E-02 Pxc 0.4277994E+01 Qxc -0.1811167E+01 3,+1 87 3 +3 -1.189804 -1.092023 1.192119 Rho 0.4893602E-02 |GRAD(Rho)| 0.8905968E-17 GRAD(Rho)x -0.2493711E-17 GRAD(Rho)y -0.4141919E-17 GRAD(Rho)z 0.7479451E-17 Laplacian 0.1812977E-01 (-1/4)Del**2(Rho)) -0.4532442E-02 Diamond 0.1200558E-03 Metallicity 0.5361281E+00 Ellipticity -0.1756419E+00 Gb(Abramov) 0.3426623E-02 Vb(Abramov) -0.2320804E-02 Hb(Abramov) 0.1105819E-02 Ex_ueg -0.6136064E-03 Ec_ueg -0.1423369E-03 Delta_ex -0.6198969E-03 Delta_ec 0.7495799E-04 Delta_et -0.6054339E-03 Pxc 0.4310943E+01 Qxc -0.8269924E+01 3,+3 88 3 +1 -0.602284 -0.570566 1.720682 Rho 0.7628797E-02 |GRAD(Rho)| 0.6670318E-13 GRAD(Rho)x 0.5745744E-13 GRAD(Rho)y 0.2231942E-13 GRAD(Rho)z 0.2549118E-13 Laplacian 0.2808334E-01 (-1/4)Del**2(Rho)) -0.7020834E-02 Diamond 0.6223700E-03 Metallicity 0.7254228E+00 Ellipticity -0.1432598E+01 Gb(Abramov) 0.5529402E-02 Vb(Abramov) -0.4037969E-02 Hb(Abramov) 0.1491433E-02 Ex_ueg -0.1109157E-02 Ec_ueg -0.2617376E-03 Delta_ex -0.1236359E-02 Delta_ec 0.3800543E-03 Delta_et -0.2531238E-02 Pxc 0.4237669E+01 Qxc -0.3253111E+01 3,+1 89 3 +1 -2.209394 1.055026 1.455166 Rho 0.2517751E-01 |GRAD(Rho)| 0.3121248E-16 GRAD(Rho)x -0.3069338E-16 GRAD(Rho)y -0.3645805E-17 GRAD(Rho)z 0.4340855E-17 Laplacian 0.9465719E-01 (-1/4)Del**2(Rho)) -0.2366430E-01 Diamond 0.1092434E-01 Metallicity 0.1574518E+01 Ellipticity -0.2492624E+01 Gb(Abramov) 0.2198617E-01 Vb(Abramov) -0.2030805E-01 Hb(Abramov) 0.1678123E-02 Ex_ueg -0.5450071E-02 Ec_ueg -0.1097656E-02 Delta_ex -0.5728645E-02 Delta_ec 0.1303352E-02 Delta_et -0.1159358E-01 Pxc 0.4965191E+01 Qxc -0.4395316E+01 3,+1 90 3 -1 -2.826786 1.804389 -0.523354 Rho 0.1148449E+00 |GRAD(Rho)| 0.1867079E-15 GRAD(Rho)x -0.1661133E-15 GRAD(Rho)y 0.1530758E-16 GRAD(Rho)z -0.8385626E-16 Laplacian 0.4749112E+00 (-1/4)Del**2(Rho)) -0.1187278E+00 Diamond 0.6989382E+00 Metallicity 0.3937196E+01 Ellipticity 0.1637379E-01 Gb(Abramov) 0.1570610E+00 Vb(Abramov) -0.1953941E+00 Hb(Abramov) -0.3833317E-01 Ex_ueg -0.4122881E-01 Ec_ueg -0.6232764E-02 Delta_ex -0.4782707E-01 Delta_ec 0.1286390E-01 Delta_et -0.1640880E+00 Pxc 0.6614851E+01 Qxc -0.3717929E+01 3,-1 91 3 -1 -2.050929 -3.010105 -0.822473 Rho 0.1112658E+00 |GRAD(Rho)| 0.1910174E-13 GRAD(Rho)x -0.9082253E-14 GRAD(Rho)y 0.8340208E-14 GRAD(Rho)z 0.1458870E-13 Laplacian 0.4022035E+00 (-1/4)Del**2(Rho)) -0.1005509E+00 Diamond 0.5758253E+00 Metallicity 0.4409984E+01 Ellipticity 0.7854740E-01 Gb(Abramov) 0.1409385E+00 Vb(Abramov) -0.1813262E+00 Hb(Abramov) -0.4038767E-01 Ex_ueg -0.3952460E-01 Ec_ueg -0.6012409E-02 Delta_ex -0.4029205E-01 Delta_ec 0.1113333E-01 Delta_et -0.1414258E+00 Pxc 0.6573838E+01 Qxc -0.3619047E+01 3,-1 92 3 -1 -1.866003 -2.783725 0.563393 Rho 0.1640498E+00 |GRAD(Rho)| 0.3496716E-15 GRAD(Rho)x 0.3143915E-15 GRAD(Rho)y 0.1576159E-16 GRAD(Rho)z -0.1522491E-15 Laplacian 0.6749437E+00 (-1/4)Del**2(Rho)) -0.1687359E+00 Diamond 0.1510872E+01 Metallicity 0.5019247E+01 Ellipticity 0.1265099E-01 Gb(Abramov) 0.2536452E+00 Vb(Abramov) -0.3385544E+00 Hb(Abramov) -0.8490923E-01 Ex_ueg -0.6632635E-01 Ec_ueg -0.9348889E-02 Delta_ex -0.7399752E-01 Delta_ec 0.1655090E-01 Delta_et -0.2224246E+00 Pxc 0.7094570E+01 Qxc -0.4470906E+01 3,-1 93 3 -1 -0.870673 3.043879 2.028178 Rho 0.8889988E-01 |GRAD(Rho)| 0.2923688E-15 GRAD(Rho)x -0.1841788E-16 GRAD(Rho)y 0.8761031E-16 GRAD(Rho)z -0.2783249E-15 Laplacian 0.3688947E+00 (-1/4)Del**2(Rho)) -0.9222367E-01 Diamond 0.4120164E+00 Metallicity 0.3307852E+01 Ellipticity 0.6638779E-02 Gb(Abramov) 0.1123261E+00 Vb(Abramov) -0.1324286E+00 Hb(Abramov) -0.2010248E-01 Ex_ueg -0.2930353E-01 Ec_ueg -0.4657705E-02 Delta_ex -0.3526570E-01 Delta_ec 0.1105195E-01 Delta_et -0.1345037E+00 Pxc 0.6291410E+01 Qxc -0.3190903E+01 3,-1 94 3 -1 -1.847722 2.755137 -0.554966 Rho 0.1488363E+00 |GRAD(Rho)| 0.5079767E-09 GRAD(Rho)x 0.3546606E-09 GRAD(Rho)y 0.8462416E-10 GRAD(Rho)z -0.3536876E-09 Laplacian 0.6167480E+00 (-1/4)Del**2(Rho)) -0.1541870E+00 Diamond 0.1228673E+01 Metallicity 0.4670397E+01 Ellipticity 0.1257432E-01 Gb(Abramov) 0.2228104E+00 Vb(Abramov) -0.2914338E+00 Hb(Abramov) -0.6862340E-01 Ex_ueg -0.5825462E-01 Ec_ueg -0.8369065E-02 Delta_ex -0.6601038E-01 Delta_ec 0.1550731E-01 Delta_et -0.2058177E+00 Pxc 0.6960708E+01 Qxc -0.4256726E+01 3,-1 95 3 -1 -2.036986 3.054974 0.869166 Rho 0.1698297E+00 |GRAD(Rho)| 0.2411244E-11 GRAD(Rho)x -0.1263928E-11 GRAD(Rho)y -0.1128066E-11 GRAD(Rho)z -0.1715825E-11 Laplacian 0.6579513E+00 (-1/4)Del**2(Rho)) -0.1644878E+00 Diamond 0.1542644E+01 Metallicity 0.5454759E+01 Ellipticity 0.4695511E-01 Gb(Abramov) 0.2591988E+00 Vb(Abramov) -0.3539098E+00 Hb(Abramov) -0.9471097E-01 Ex_ueg -0.6946030E-01 Ec_ueg -0.9724762E-02 Delta_ex -0.7282265E-01 Delta_ec 0.1610025E-01 Delta_et -0.2175487E+00 Pxc 0.7142622E+01 Qxc -0.4523077E+01 3,-1 96 3 +1 -0.593841 -1.669361 0.551040 Rho 0.8854956E-02 |GRAD(Rho)| 0.9605748E-15 GRAD(Rho)x 0.7908424E-15 GRAD(Rho)y 0.4355412E-15 GRAD(Rho)z 0.3279879E-15 Laplacian 0.3384515E-01 (-1/4)Del**2(Rho)) -0.8461288E-02 Diamond 0.9480627E-03 Metallicity 0.7716625E+00 Ellipticity -0.1489840E+01 Gb(Abramov) 0.6729068E-02 Vb(Abramov) -0.4996849E-02 Hb(Abramov) 0.1732220E-02 Ex_ueg -0.1353008E-02 Ec_ueg -0.3164019E-03 Delta_ex -0.1560065E-02 Delta_ec 0.4805306E-03 Delta_et -0.3305706E-02 Pxc 0.4276231E+01 Qxc -0.3246547E+01 3,+1 97 3 +3 -1.877112 -1.894575 -1.885404 Rho 0.1129976E-01 |GRAD(Rho)| 0.9929470E-17 GRAD(Rho)x -0.1808506E-17 GRAD(Rho)y -0.7546962E-17 GRAD(Rho)z 0.6194113E-17 Laplacian 0.5232930E-01 (-1/4)Del**2(Rho)) -0.1308233E-01 Diamond 0.1119392E-02 Metallicity 0.7492906E+00 Ellipticity -0.6073404E+00 Gb(Abramov) 0.1035529E-01 Vb(Abramov) -0.7628263E-02 Hb(Abramov) 0.2727031E-02 Ex_ueg -0.1872740E-02 Ec_ueg -0.4273408E-03 Delta_ex -0.2277740E-02 Delta_ec 0.2255634E-03 Delta_et -0.2026004E-02 Pxc 0.4382310E+01 Qxc -0.1009800E+02 3,+3 98 3 +1 -1.569532 -1.912513 -1.942594 Rho 0.1166945E-01 |GRAD(Rho)| 0.6652092E-17 GRAD(Rho)x -0.6253524E-17 GRAD(Rho)y 0.1733355E-17 GRAD(Rho)z -0.1462618E-17 Laplacian 0.5357843E-01 (-1/4)Del**2(Rho)) -0.1339461E-01 Diamond 0.2089112E-02 Metallicity 0.7721599E+00 Ellipticity -0.1320254E+01 Gb(Abramov) 0.1065353E-01 Vb(Abramov) -0.7912462E-02 Hb(Abramov) 0.2741073E-02 Ex_ueg -0.1954875E-02 Ec_ueg -0.4443313E-03 Delta_ex -0.2621168E-02 Delta_ec 0.7077019E-03 Delta_et -0.5260851E-02 Pxc 0.4399589E+01 Qxc -0.3703774E+01 3,+1 99 3 -1 -1.876697 -0.583097 2.888445 Rho 0.1322702E+00 |GRAD(Rho)| 0.1954687E-11 GRAD(Rho)x -0.1332609E-11 GRAD(Rho)y 0.1364740E-11 GRAD(Rho)z -0.4271307E-12 Laplacian 0.5587713E+00 (-1/4)Del**2(Rho)) -0.1396928E+00 Diamond 0.9957866E+00 Metallicity 0.4234632E+01 Ellipticity 0.1384870E-01 Gb(Abramov) 0.1917198E+00 Vb(Abramov) -0.2437468E+00 Hb(Abramov) -0.5202702E-01 Ex_ueg -0.4977383E-01 Ec_ueg -0.7318405E-02 Delta_ex -0.5845686E-01 Delta_ec 0.1508712E-01 Delta_et -0.1979912E+00 Pxc 0.6801185E+01 Qxc -0.3874620E+01 3,-1 100 3 +1 -0.317112 -0.623667 -3.092775 Rho 0.3113958E-02 |GRAD(Rho)| 0.6248628E-17 GRAD(Rho)x -0.3774871E-17 GRAD(Rho)y -0.4939473E-17 GRAD(Rho)z 0.6303227E-18 Laplacian 0.1180045E-01 (-1/4)Del**2(Rho)) -0.2950114E-02 Diamond 0.1102569E-03 Metallicity 0.3877654E+00 Ellipticity -0.1386826E+01 Gb(Abramov) 0.2157401E-02 Vb(Abramov) -0.1364689E-02 Hb(Abramov) 0.7927125E-03 Ex_ueg -0.3358423E-03 Ec_ueg -0.6667413E-04 Delta_ex -0.4753175E-03 Delta_ec 0.2610059E-03 Delta_et -0.1274609E-02 Pxc 0.5037072E+01 Qxc -0.1821099E+01 3,+1 101 3 +1 -0.570303 0.531499 -1.675601 Rho 0.8507538E-02 |GRAD(Rho)| 0.7488934E-15 GRAD(Rho)x -0.2233373E-15 GRAD(Rho)y -0.6412173E-15 GRAD(Rho)z 0.3159147E-15 Laplacian 0.3272295E-01 (-1/4)Del**2(Rho)) -0.8180737E-02 Diamond 0.8813018E-03 Metallicity 0.7466217E+00 Ellipticity -0.1482496E+01 Gb(Abramov) 0.6471811E-02 Vb(Abramov) -0.4762884E-02 Hb(Abramov) 0.1708926E-02 Ex_ueg -0.1282696E-02 Ec_ueg -0.3008450E-03 Delta_ex -0.1499239E-02 Delta_ec 0.4754816E-03 Delta_et -0.3228632E-02 Pxc 0.4263642E+01 Qxc -0.3153097E+01 3,+1 102 3 -1 -1.886461 0.495215 -2.802399 Rho 0.1701008E+00 |GRAD(Rho)| 0.3998104E-15 GRAD(Rho)x -0.2042908E-15 GRAD(Rho)y -0.2973696E-15 GRAD(Rho)z 0.1722933E-15 Laplacian 0.6946557E+00 (-1/4)Del**2(Rho)) -0.1736639E+00 Diamond 0.1627782E+01 Metallicity 0.5180292E+01 Ellipticity 0.9181870E-02 Gb(Abramov) 0.2657143E+00 Vb(Abramov) -0.3577646E+00 Hb(Abramov) -0.9205033E-01 Ex_ueg -0.6960818E-01 Ec_ueg -0.9742441E-02 Delta_ex -0.7688175E-01 Delta_ec 0.1693060E-01 Delta_et -0.2286419E+00 Pxc 0.7144840E+01 Qxc -0.4540995E+01 3,-1 103 3 +1 0.305486 -1.434184 -1.680118 Rho 0.5181718E-02 |GRAD(Rho)| 0.5851330E-14 GRAD(Rho)x -0.4675609E-14 GRAD(Rho)y -0.2788896E-14 GRAD(Rho)z 0.2144483E-14 Laplacian 0.2059270E-01 (-1/4)Del**2(Rho)) -0.5148175E-02 Diamond 0.4438774E-03 Metallicity 0.5192257E+00 Ellipticity -0.2121548E+01 Gb(Abramov) 0.3877627E-02 Vb(Abramov) -0.2607080E-02 Hb(Abramov) 0.1270547E-02 Ex_ueg -0.6622421E-03 Ec_ueg -0.1547412E-03 Delta_ex -0.9778583E-03 Delta_ec 0.5536697E-03 Delta_et -0.3077451E-02 Pxc 0.4279674E+01 Qxc -0.1766140E+01 3,+1 104 3 +1 0.139408 -2.969978 0.108649 Rho 0.4989893E-02 |GRAD(Rho)| 0.7528417E-17 GRAD(Rho)x 0.3468862E-17 GRAD(Rho)y -0.3777233E-18 GRAD(Rho)z -0.6670935E-17 Laplacian 0.1969642E-01 (-1/4)Del**2(Rho)) -0.4924106E-02 Diamond 0.4228785E-03 Metallicity 0.5097741E+00 Ellipticity -0.2430092E+01 Gb(Abramov) 0.3701101E-02 Vb(Abramov) -0.2478096E-02 Hb(Abramov) 0.1223005E-02 Ex_ueg -0.6297574E-03 Ec_ueg -0.1464779E-03 Delta_ex -0.9461345E-03 Delta_ec 0.5617178E-03 Delta_et -0.3072406E-02 Pxc 0.4299335E+01 Qxc -0.1684359E+01 3,+1 105 3 -1 0.032785 -3.195898 -1.304364 Rho 0.2941807E-01 |GRAD(Rho)| 0.2657432E-17 GRAD(Rho)x 0.2479999E-17 GRAD(Rho)y -0.6621564E-18 GRAD(Rho)z 0.6878235E-18 Laplacian 0.9178649E-01 (-1/4)Del**2(Rho)) -0.2294662E-01 Diamond 0.3431611E-01 Metallicity 0.2104705E+01 Ellipticity 0.7172802E-02 Gb(Abramov) 0.2334706E-01 Vb(Abramov) -0.2374750E-01 Hb(Abramov) -0.4004378E-03 Ex_ueg -0.6707137E-02 Ec_ueg -0.1313630E-02 Delta_ex -0.7650363E-02 Delta_ec 0.4569178E-02 Delta_et -0.4162784E-01 Pxc 0.5105806E+01 Qxc -0.1674341E+01 3,-1 106 3 +3 -0.063539 -2.327572 -0.128238 Rho 0.4125073E-02 |GRAD(Rho)| 0.2814037E-17 GRAD(Rho)x 0.8917457E-18 GRAD(Rho)y 0.2272338E-17 GRAD(Rho)z -0.1400027E-17 Laplacian 0.1653428E-01 (-1/4)Del**2(Rho)) -0.4133570E-02 Diamond 0.1193473E-03 Metallicity 0.4421951E+00 Ellipticity -0.3489620E+00 Gb(Abramov) 0.3060354E-02 Vb(Abramov) -0.1987138E-02 Hb(Abramov) 0.1073216E-02 Ex_ueg -0.4886080E-03 Ec_ueg -0.1094576E-03 Delta_ex -0.5784344E-03 Delta_ec 0.1383649E-03 Delta_et -0.8663199E-03 Pxc 0.4463901E+01 Qxc -0.4180501E+01 3,+3 107 3 -1 -0.875162 2.045551 3.096114 Rho 0.1155703E+00 |GRAD(Rho)| 0.2519464E-12 GRAD(Rho)x 0.1781759E-12 GRAD(Rho)y 0.1295737E-12 GRAD(Rho)z -0.1222334E-12 Laplacian 0.4729944E+00 (-1/4)Del**2(Rho)) -0.1182486E+00 Diamond 0.7173954E+00 Metallicity 0.3994852E+01 Ellipticity 0.4102495E-02 Gb(Abramov) 0.1575633E+00 Vb(Abramov) -0.1968781E+00 Hb(Abramov) -0.3931474E-01 Ex_ueg -0.4157637E-01 Ec_ueg -0.6277534E-02 Delta_ex -0.4793063E-01 Delta_ec 0.1319590E-01 Delta_et -0.1691372E+00 Pxc 0.6623041E+01 Qxc -0.3632237E+01 3,-1 108 3 +1 -1.025770 2.227770 1.486714 Rho 0.2454603E-01 |GRAD(Rho)| 0.2903870E-14 GRAD(Rho)x 0.2052904E-14 GRAD(Rho)y -0.8253321E-16 GRAD(Rho)z 0.2052130E-14 Laplacian 0.9268723E-01 (-1/4)Del**2(Rho)) -0.2317181E-01 Diamond 0.9779249E-02 Metallicity 0.1541330E+01 Ellipticity -0.2145779E+01 Gb(Abramov) 0.2140044E-01 Vb(Abramov) -0.1962907E-01 Hb(Abramov) 0.1771371E-02 Ex_ueg -0.5268579E-02 Ec_ueg -0.1065885E-02 Delta_ex -0.5509340E-02 Delta_ec 0.1167234E-02 Delta_et -0.1035651E-01 Pxc 0.4942916E+01 Qxc -0.4719996E+01 3,+1 109 3 +3 0.028780 2.350894 -0.000227 Rho 0.4163717E-02 |GRAD(Rho)| 0.8740975E-15 GRAD(Rho)x -0.3230807E-15 GRAD(Rho)y -0.7017827E-15 GRAD(Rho)z 0.4088598E-15 Laplacian 0.1645034E-01 (-1/4)Del**2(Rho)) -0.4112584E-02 Diamond 0.1250491E-03 Metallicity 0.4514126E+00 Ellipticity -0.2109415E+00 Gb(Abramov) 0.3051135E-02 Vb(Abramov) -0.1989685E-02 Hb(Abramov) 0.1061449E-02 Ex_ueg -0.4947206E-03 Ec_ueg -0.1111036E-03 Delta_ex -0.5825610E-03 Delta_ec 0.1478110E-03 Delta_et -0.9118072E-03 Pxc 0.4452787E+01 Qxc -0.3941256E+01 3,+3 110 3 -1 -0.507185 1.748494 1.791824 Rho 0.4154294E-01 |GRAD(Rho)| 0.1118602E-15 GRAD(Rho)x -0.2139415E-16 GRAD(Rho)y -0.8998285E-16 GRAD(Rho)z -0.6291337E-16 Laplacian 0.1755010E+00 (-1/4)Del**2(Rho)) -0.4387524E-01 Diamond 0.7459642E-01 Metallicity 0.1956572E+01 Ellipticity 0.1912934E-01 Gb(Abramov) 0.4355767E-01 Vb(Abramov) -0.4324010E-01 Hb(Abramov) 0.3175714E-03 Ex_ueg -0.1062628E-01 Ec_ueg -0.1953029E-02 Delta_ex -0.1409205E-01 Delta_ec 0.5772279E-02 Delta_et -0.5802885E-01 Pxc 0.5440924E+01 Qxc -0.2441331E+01 3,-1 111 3 +1 1.411383 -1.069924 2.196756 Rho 0.2384918E-01 |GRAD(Rho)| 0.5386339E-16 GRAD(Rho)x 0.1694523E-16 GRAD(Rho)y -0.1496778E-16 GRAD(Rho)z 0.4888854E-16 Laplacian 0.8704104E-01 (-1/4)Del**2(Rho)) -0.2176026E-01 Diamond 0.9651006E-02 Metallicity 0.1564390E+01 Ellipticity -0.2848661E+01 Gb(Abramov) 0.2018043E-01 Vb(Abramov) -0.1860060E-01 Hb(Abramov) 0.1579832E-02 Ex_ueg -0.5070099E-02 Ec_ueg -0.1030949E-02 Delta_ex -0.5228137E-02 Delta_ec 0.1266814E-02 Delta_et -0.1110935E-01 Pxc 0.4917897E+01 Qxc -0.4126996E+01 3,+1 112 3 -1 -0.613357 -1.849536 2.865797 Rho 0.1268791E+00 |GRAD(Rho)| 0.1889560E-15 GRAD(Rho)x 0.1137057E-15 GRAD(Rho)y -0.1374768E-15 GRAD(Rho)z -0.6225353E-16 Laplacian 0.5374265E+00 (-1/4)Del**2(Rho)) -0.1343566E+00 Diamond 0.9143274E+00 Metallicity 0.4107818E+01 Ellipticity 0.1489721E-01 Gb(Abramov) 0.1815565E+00 Vb(Abramov) -0.2287564E+00 Hb(Abramov) -0.4719988E-01 Ex_ueg -0.4708747E-01 Ec_ueg -0.6980320E-02 Delta_ex -0.5570776E-01 Delta_ec 0.1472674E-01 Delta_et -0.1920325E+00 Pxc 0.6745747E+01 Qxc -0.3782762E+01 3,-1 113 3 -1 -0.256402 -1.406879 -3.307768 Rho 0.4473517E-02 |GRAD(Rho)| 0.3833650E-17 GRAD(Rho)x -0.3771808E-17 GRAD(Rho)y -0.4467539E-19 GRAD(Rho)z 0.6843519E-18 Laplacian 0.1568119E-01 (-1/4)Del**2(Rho)) -0.3920298E-02 Diamond 0.4538697E-03 Metallicity 0.5337230E+00 Ellipticity 0.3923812E-01 Gb(Abramov) 0.2962257E-02 Vb(Abramov) -0.2004217E-02 Hb(Abramov) 0.9580403E-03 Ex_ueg -0.5443988E-03 Ec_ueg -0.1243269E-03 Delta_ex -0.9129114E-03 Delta_ec 0.7610229E-03 Delta_et -0.3887820E-02 Pxc 0.4378769E+01 Qxc -0.1199585E+01 3,-1 114 3 -1 0.248501 -1.129179 -1.855806 Rho 0.5318736E-02 |GRAD(Rho)| 0.1749425E-12 GRAD(Rho)x -0.1641281E-12 GRAD(Rho)y 0.2723009E-14 GRAD(Rho)z 0.6049340E-13 Laplacian 0.2105315E-01 (-1/4)Del**2(Rho)) -0.5263287E-02 Diamond 0.6060509E-03 Metallicity 0.5304489E+00 Ellipticity 0.4570086E+00 Gb(Abramov) 0.3974176E-02 Vb(Abramov) -0.2685064E-02 Hb(Abramov) 0.1289112E-02 Ex_ueg -0.6856930E-03 Ec_ueg -0.1606550E-03 Delta_ex -0.1121397E-02 Delta_ec 0.7737174E-03 Delta_et -0.4236137E-02 Pxc 0.4268108E+01 Qxc -0.1449362E+01 3,-1 115 3 -1 -0.585511 -0.472390 -0.462951 Rho 0.1852858E+00 |GRAD(Rho)| 0.1836842E-15 GRAD(Rho)x 0.9367507E-16 GRAD(Rho)y 0.2428613E-16 GRAD(Rho)z -0.1561251E-15 Laplacian 0.4928181E+00 (-1/4)Del**2(Rho)) -0.1232045E+00 Diamond 0.1300235E+01 Metallicity 0.8420350E+01 Ellipticity 0.2537882E-01 Gb(Abramov) 0.2550405E+00 Vb(Abramov) -0.3868766E+00 Hb(Abramov) -0.1318360E+00 Ex_ueg -0.7801437E-01 Ec_ueg -0.1073942E-01 Delta_ex -0.5588368E-01 Delta_ec 0.1201939E-01 Delta_et -0.1646480E+00 Pxc 0.7264300E+01 Qxc -0.4649462E+01 3,-1 116 3 +1 1.789138 1.833659 1.822871 Rho 0.1092047E-01 |GRAD(Rho)| 0.1659971E-14 GRAD(Rho)x 0.6235516E-15 GRAD(Rho)y -0.1432630E-14 GRAD(Rho)z 0.5605882E-15 Laplacian 0.4817027E-01 (-1/4)Del**2(Rho)) -0.1204257E-01 Diamond 0.1551648E-02 Metallicity 0.7689580E+00 Ellipticity -0.1253708E+01 Gb(Abramov) 0.9571750E-02 Vb(Abramov) -0.7100932E-02 Hb(Abramov) 0.2470818E-02 Ex_ueg -0.1789396E-02 Ec_ueg -0.4099661E-03 Delta_ex -0.2262454E-02 Delta_ec 0.5406385E-03 Delta_et -0.4029197E-02 Pxc 0.4364743E+01 Qxc -0.4184781E+01 3,+1 117 3 +3 0.002953 -0.020445 2.439663 Rho 0.3801785E-02 |GRAD(Rho)| 0.1433740E-14 GRAD(Rho)x 0.7011383E-15 GRAD(Rho)y -0.6520844E-15 GRAD(Rho)z -0.1067147E-14 Laplacian 0.1465738E-01 (-1/4)Del**2(Rho)) -0.3664346E-02 Diamond 0.9899428E-04 Metallicity 0.4353807E+00 Ellipticity -0.1305275E+00 Gb(Abramov) 0.2708795E-02 Vb(Abramov) -0.1753244E-02 Hb(Abramov) 0.9555510E-03 Ex_ueg -0.4382296E-03 Ec_ueg -0.9571883E-04 Delta_ex -0.5079092E-03 Delta_ec 0.1328780E-03 Delta_et -0.8001928E-03 Pxc 0.4578301E+01 Qxc -0.3822371E+01 3,+3 118 3 +1 0.360725 -1.728784 -0.722387 Rho 0.6853042E-02 |GRAD(Rho)| 0.7866624E-16 GRAD(Rho)x 0.2754429E-16 GRAD(Rho)y 0.3983005E-16 GRAD(Rho)z 0.6199400E-16 Laplacian 0.2591034E-01 (-1/4)Del**2(Rho)) -0.6477584E-02 Diamond 0.6950987E-03 Metallicity 0.6575757E+00 Ellipticity -0.1974752E+01 Gb(Abramov) 0.5028307E-02 Vb(Abramov) -0.3579029E-02 Hb(Abramov) 0.1449278E-02 Ex_ueg -0.9613826E-03 Ec_ueg -0.2275081E-03 Delta_ex -0.1231686E-02 Delta_ec 0.5671515E-03 Delta_et -0.3480637E-02 Pxc 0.4225707E+01 Qxc -0.2171705E+01 3,+1 119 3 +1 0.555426 1.723475 0.530239 Rho 0.7203857E-02 |GRAD(Rho)| 0.9645242E-17 GRAD(Rho)x -0.1010758E-17 GRAD(Rho)y -0.7224170E-17 GRAD(Rho)z -0.6310343E-17 Laplacian 0.2665139E-01 (-1/4)Del**2(Rho)) -0.6662848E-02 Diamond 0.5493270E-03 Metallicity 0.6947604E+00 Ellipticity -0.1411981E+01 Gb(Abramov) 0.5213413E-02 Vb(Abramov) -0.3763977E-02 Hb(Abramov) 0.1449436E-02 Ex_ueg -0.1027555E-02 Ec_ueg -0.2429527E-03 Delta_ex -0.1158248E-02 Delta_ec 0.3637356E-03 Delta_et -0.2384415E-02 Pxc 0.4229445E+01 Qxc -0.3184312E+01 3,+1 120 3 -1 -0.501708 0.467268 0.482792 Rho 0.1759689E+00 |GRAD(Rho)| 0.4206338E-15 GRAD(Rho)x 0.2949030E-15 GRAD(Rho)y -0.1977585E-15 GRAD(Rho)z -0.2255141E-15 Laplacian 0.4561410E+00 (-1/4)Del**2(Rho)) -0.1140352E+00 Diamond 0.1139675E+01 Metallicity 0.8347835E+01 Ellipticity 0.5561047E-02 Gb(Abramov) 0.2346814E+00 Vb(Abramov) -0.3553275E+00 Hb(Abramov) -0.1206461E+00 Ex_ueg -0.7282819E-01 Ec_ueg -0.1012614E-01 Delta_ex -0.5112744E-01 Delta_ec 0.1139847E-01 Delta_et -0.1556161E+00 Pxc 0.7192101E+01 Qxc -0.4485465E+01 3,-1 121 3 -1 0.065470 -1.972392 -1.041115 Rho 0.7313325E-02 |GRAD(Rho)| 0.2254780E-15 GRAD(Rho)x -0.2082016E-15 GRAD(Rho)y -0.5726485E-16 GRAD(Rho)z -0.6490872E-16 Laplacian 0.2780400E-01 (-1/4)Del**2(Rho)) -0.6951001E-02 Diamond 0.1186165E-02 Metallicity 0.6829108E+00 Ellipticity 0.1390455E+01 Gb(Abramov) 0.5425153E-02 Vb(Abramov) -0.3899305E-02 Hb(Abramov) 0.1525848E-02 Ex_ueg -0.1048427E-02 Ec_ueg -0.2477839E-03 Delta_ex -0.1549146E-02 Delta_ec 0.9797801E-03 Delta_et -0.5922508E-02 Pxc 0.4231216E+01 Qxc -0.1581116E+01 3,-1 122 3 -1 -0.064288 -3.277014 3.240222 Rho 0.2032809E+00 |GRAD(Rho)| 0.1067529E-15 GRAD(Rho)x -0.2736255E-16 GRAD(Rho)y -0.1020234E-15 GRAD(Rho)z -0.1544988E-16 Laplacian 0.7720386E+00 (-1/4)Del**2(Rho)) -0.1930096E+00 Diamond 0.2238166E+01 Metallicity 0.6272903E+01 Ellipticity 0.2035680E-02 Gb(Abramov) 0.3304616E+00 Vb(Abramov) -0.4679135E+00 Hb(Abramov) -0.1374519E+00 Ex_ueg -0.8827694E-01 Ec_ueg -0.1193788E-01 Delta_ex -0.8936983E-01 Delta_ec 0.1790798E-01 Delta_et -0.2458781E+00 Pxc 0.7394693E+01 Qxc -0.4990504E+01 3,-1 123 3 -1 -0.579054 1.701043 -2.825962 Rho 0.9670108E-01 |GRAD(Rho)| 0.1788603E-15 GRAD(Rho)x 0.1106564E-16 GRAD(Rho)y 0.1725576E-15 GRAD(Rho)z -0.4574317E-16 Laplacian 0.4221724E+00 (-1/4)Del**2(Rho)) -0.1055431E+00 Diamond 0.5243504E+00 Metallicity 0.3325387E+01 Ellipticity 0.1511408E-01 Gb(Abramov) 0.1288573E+00 Vb(Abramov) -0.1521716E+00 Hb(Abramov) -0.2331424E-01 Ex_ueg -0.3278135E-01 Ec_ueg -0.5125652E-02 Delta_ex -0.4118223E-01 Delta_ec 0.1250161E-01 Delta_et -0.1549950E+00 Pxc 0.6395547E+01 Qxc -0.3294154E+01 3,-1 124 3 +1 1.068568 -2.235335 1.371365 Rho 0.2531443E-01 |GRAD(Rho)| 0.6413341E-16 GRAD(Rho)x 0.4214497E-17 GRAD(Rho)y -0.6366456E-16 GRAD(Rho)z 0.6492843E-17 Laplacian 0.9618476E-01 (-1/4)Del**2(Rho)) -0.2404619E-01 Diamond 0.1229684E-01 Metallicity 0.1563581E+01 Ellipticity -0.3368813E+01 Gb(Abramov) 0.2229715E-01 Vb(Abramov) -0.2054812E-01 Hb(Abramov) 0.1749036E-02 Ex_ueg -0.5489623E-02 Ec_ueg -0.1104558E-02 Delta_ex -0.5948629E-02 Delta_ec 0.1536567E-02 Delta_et -0.1362638E-01 Pxc 0.4969972E+01 Qxc -0.3871377E+01 3,+1 125 3 +1 1.229902 1.187793 -2.211743 Rho 0.2605816E-01 |GRAD(Rho)| 0.1048091E-14 GRAD(Rho)x 0.6217554E-15 GRAD(Rho)y 0.8436524E-15 GRAD(Rho)z -0.1283831E-16 Laplacian 0.1021162E+00 (-1/4)Del**2(Rho)) -0.2552905E-01 Diamond 0.1547567E-01 Metallicity 0.1545580E+01 Ellipticity -0.1113708E+02 Gb(Abramov) 0.2359556E-01 Vb(Abramov) -0.2166208E-01 Hb(Abramov) 0.1933487E-02 Ex_ueg -0.5705714E-02 Ec_ueg -0.1142137E-02 Delta_ex -0.6559127E-02 Delta_ec 0.1977871E-02 Delta_et -0.1758688E-01 Pxc 0.4995648E+01 Qxc -0.3316255E+01 3,+1 126 3 +1 1.694995 0.529513 0.568356 Rho 0.7162678E-02 |GRAD(Rho)| 0.1238173E-16 GRAD(Rho)x 0.6990618E-17 GRAD(Rho)y 0.5231766E-17 GRAD(Rho)z 0.8778793E-17 Laplacian 0.2663217E-01 (-1/4)Del**2(Rho)) -0.6658042E-02 Diamond 0.5520709E-03 Metallicity 0.6886507E+00 Ellipticity -0.1417937E+01 Gb(Abramov) 0.5202872E-02 Vb(Abramov) -0.3747703E-02 Hb(Abramov) 0.1455170E-02 Ex_ueg -0.1019731E-02 Ec_ueg -0.2411368E-03 Delta_ex -0.1160010E-02 Delta_ec 0.3710734E-03 Delta_et -0.2422237E-02 Pxc 0.4228848E+01 Qxc -0.3126092E+01 3,+1 127 3 +1 2.152895 -1.058644 1.414683 Rho 0.2483641E-01 |GRAD(Rho)| 0.1315769E-13 GRAD(Rho)x 0.4358627E-14 GRAD(Rho)y 0.7685386E-14 GRAD(Rho)z 0.9749974E-14 Laplacian 0.9437836E-01 (-1/4)Del**2(Rho)) -0.2359459E-01 Diamond 0.1142127E-01 Metallicity 0.1543674E+01 Ellipticity -0.2952138E+01 Gb(Abramov) 0.2180012E-01 Vb(Abramov) -0.2000565E-01 Hb(Abramov) 0.1794472E-02 Ex_ueg -0.5351846E-02 Ec_ueg -0.1080481E-02 Delta_ex -0.5770653E-02 Delta_ec 0.1442827E-02 Delta_et -0.1275320E-01 Pxc 0.4953205E+01 Qxc -0.3999547E+01 3,+1 128 3 -1 -0.053195 3.111660 -3.287180 Rho 0.2043890E+00 |GRAD(Rho)| 0.1749730E-15 GRAD(Rho)x -0.9004299E-16 GRAD(Rho)y 0.1498367E-15 GRAD(Rho)z -0.7535205E-17 Laplacian 0.7805341E+00 (-1/4)Del**2(Rho)) -0.1951335E+00 Diamond 0.2273922E+01 Metallicity 0.6261099E+01 Ellipticity 0.3351808E-02 Gb(Abramov) 0.3337140E+00 Vb(Abramov) -0.4722946E+00 Hb(Abramov) -0.1385805E+00 Ex_ueg -0.8891911E-01 Ec_ueg -0.1201227E-01 Delta_ex -0.9045469E-01 Delta_ec 0.1803422E-01 Delta_et -0.2475563E+00 Pxc 0.7402359E+01 Qxc -0.5015726E+01 3,-1 129 3 -1 -0.578426 2.708299 -1.836919 Rho 0.1132557E+00 |GRAD(Rho)| 0.1210822E-15 GRAD(Rho)x 0.1001532E-15 GRAD(Rho)y 0.6349359E-17 GRAD(Rho)z -0.6774908E-16 Laplacian 0.4874872E+00 (-1/4)Del**2(Rho)) -0.1218718E+00 Diamond 0.7281587E+00 Metallicity 0.3747572E+01 Ellipticity 0.1304777E-01 Gb(Abramov) 0.1573684E+00 Vb(Abramov) -0.1928650E+00 Hb(Abramov) -0.3549662E-01 Ex_ueg -0.4046986E-01 Ec_ueg -0.6134804E-02 Delta_ex -0.4925989E-01 Delta_ec 0.1383260E-01 Delta_et -0.1768761E+00 Pxc 0.6596765E+01 Qxc -0.3561145E+01 3,-1 130 3 +1 0.069248 2.965899 -0.099808 Rho 0.4838395E-02 |GRAD(Rho)| 0.6979469E-17 GRAD(Rho)x 0.1219222E-17 GRAD(Rho)y 0.4135631E-18 GRAD(Rho)z 0.6859698E-17 Laplacian 0.1849996E-01 (-1/4)Del**2(Rho)) -0.4624990E-02 Diamond 0.4204312E-03 Metallicity 0.5155584E+00 Ellipticity -0.6339758E+01 Gb(Abramov) 0.3480735E-02 Vb(Abramov) -0.2336481E-02 Hb(Abramov) 0.1144254E-02 Ex_ueg -0.6043939E-03 Ec_ueg -0.1399649E-03 Delta_ex -0.9214223E-03 Delta_ec 0.5957974E-03 Delta_et -0.3198526E-02 Pxc 0.4318182E+01 Qxc -0.1546536E+01 3,+1 131 3 -1 0.072266 3.272948 3.297012 Rho 0.2026368E+00 |GRAD(Rho)| 0.6635268E-15 GRAD(Rho)x 0.3297330E-16 GRAD(Rho)y 0.3240138E-15 GRAD(Rho)z 0.5780966E-15 Laplacian 0.7645383E+00 (-1/4)Del**2(Rho)) -0.1911346E+00 Diamond 0.2211888E+01 Metallicity 0.6301023E+01 Ellipticity 0.3298344E-02 Gb(Abramov) 0.3281469E+00 Vb(Abramov) -0.4651593E+00 Hb(Abramov) -0.1370124E+00 Ex_ueg -0.8790416E-01 Ec_ueg -0.1189466E-01 Delta_ex -0.8845578E-01 Delta_ec 0.1779604E-01 Delta_et -0.2444468E+00 Pxc 0.7390218E+01 Qxc -0.4970532E+01 3,-1 132 3 +3 0.994261 -1.113456 -1.213391 Rho 0.4333008E-02 |GRAD(Rho)| 0.9385468E-17 GRAD(Rho)x 0.5618111E-18 GRAD(Rho)y -0.8826396E-17 GRAD(Rho)z -0.3141038E-17 Laplacian 0.1699934E-01 (-1/4)Del**2(Rho)) -0.4249835E-02 Diamond 0.1449390E-03 Metallicity 0.4668352E+00 Ellipticity -0.7176285E+00 Gb(Abramov) 0.3163885E-02 Vb(Abramov) -0.2077936E-02 Hb(Abramov) 0.1085950E-02 Ex_ueg -0.5217202E-03 Ec_ueg -0.1183233E-03 Delta_ex -0.6177432E-03 Delta_ec 0.1698789E-03 Delta_et -0.1033399E-02 Pxc 0.4409277E+01 Qxc -0.3636374E+01 3,+3 133 3 -1 0.435625 0.431703 -0.484818 Rho 0.1798628E+00 |GRAD(Rho)| 0.3132701E-15 GRAD(Rho)x 0.2949030E-15 GRAD(Rho)y 0.4163336E-16 GRAD(Rho)z -0.9714451E-16 Laplacian 0.4706904E+00 (-1/4)Del**2(Rho)) -0.1176726E+00 Diamond 0.1207681E+01 Metallicity 0.8390350E+01 Ellipticity 0.2602811E-02 Gb(Abramov) 0.2430008E+00 Vb(Abramov) -0.3683290E+00 Hb(Abramov) -0.1253282E+00 Ex_ueg -0.7498485E-01 Ec_ueg -0.1038185E-01 Delta_ex -0.5305043E-01 Delta_ec 0.1170018E-01 Delta_et -0.1601511E+00 Pxc 0.7222689E+01 Qxc -0.4534156E+01 3,-1 134 3 -1 0.417497 -0.502993 0.461481 Rho 0.1807240E+00 |GRAD(Rho)| 0.1926458E-13 GRAD(Rho)x -0.1114386E-13 GRAD(Rho)y 0.1124101E-13 GRAD(Rho)z -0.1098080E-13 Laplacian 0.4741473E+00 (-1/4)Del**2(Rho)) -0.1185368E+00 Diamond 0.1225094E+01 Metallicity 0.8395754E+01 Ellipticity 0.3038600E-02 Gb(Abramov) 0.2448922E+00 Vb(Abramov) -0.3712476E+00 Hb(Abramov) -0.1263554E+00 Ex_ueg -0.7546396E-01 Ec_ueg -0.1043852E-01 Delta_ex -0.5351603E-01 Delta_ec 0.1179289E-01 Delta_et -0.1615698E+00 Pxc 0.7229373E+01 Qxc -0.4537989E+01 3,-1 135 3 -1 0.506938 -1.746025 1.752968 Rho 0.4512059E-01 |GRAD(Rho)| 0.4631000E-13 GRAD(Rho)x -0.5879349E-14 GRAD(Rho)y -0.3688849E-13 GRAD(Rho)z 0.2737314E-13 Laplacian 0.1918792E+00 (-1/4)Del**2(Rho)) -0.4796981E-01 Diamond 0.9097528E-01 Metallicity 0.2053729E+01 Ellipticity 0.1941893E-01 Gb(Abramov) 0.4839937E-01 Vb(Abramov) -0.4882893E-01 Hb(Abramov) -0.4295591E-03 Ex_ueg -0.1186364E-01 Ec_ueg -0.2146988E-02 Delta_ex -0.1570774E-01 Delta_ec 0.6284508E-02 Delta_et -0.6461531E-01 Pxc 0.5525714E+01 Qxc -0.2499438E+01 3,-1 136 3 -1 0.545719 1.664868 -1.744652 Rho 0.4880808E-01 |GRAD(Rho)| 0.1355627E-15 GRAD(Rho)x -0.6003642E-16 GRAD(Rho)y 0.4921854E-16 GRAD(Rho)z -0.1111324E-15 Laplacian 0.2076433E+00 (-1/4)Del**2(Rho)) -0.5191082E-01 Diamond 0.1090685E+00 Metallicity 0.2163290E+01 Ellipticity 0.1691340E-01 Gb(Abramov) 0.5332358E-01 Vb(Abramov) -0.5473634E-01 Hb(Abramov) -0.1412757E-02 Ex_ueg -0.1317369E-01 Ec_ueg -0.2349096E-02 Delta_ex -0.1730889E-01 Delta_ec 0.6760614E-02 Delta_et -0.7099203E-01 Pxc 0.5607983E+01 Qxc -0.2560254E+01 3,-1 137 3 +3 1.112000 1.124215 1.140638 Rho 0.4337302E-02 |GRAD(Rho)| 0.2927542E-12 GRAD(Rho)x 0.2921839E-12 GRAD(Rho)y 0.1487690E-13 GRAD(Rho)z 0.1059475E-13 Laplacian 0.1552701E-01 (-1/4)Del**2(Rho)) -0.3881754E-02 Diamond 0.8917271E-04 Metallicity 0.5119465E+00 Ellipticity -0.1395552E+00 Gb(Abramov) 0.2919044E-02 Vb(Abramov) -0.1956335E-02 Hb(Abramov) 0.9627095E-03 Ex_ueg -0.5224097E-03 Ec_ueg -0.1185066E-03 Delta_ex -0.5156788E-03 Delta_ec 0.6821304E-04 Delta_et -0.5272883E-03 Pxc 0.4408275E+01 Qxc -0.7559827E+01 3,+3 138 3 +1 2.041311 1.993246 -2.037641 Rho 0.1149238E-01 |GRAD(Rho)| 0.1348358E-16 GRAD(Rho)x -0.7329834E-17 GRAD(Rho)y 0.1083100E-16 GRAD(Rho)z -0.3281745E-17 Laplacian 0.4881917E-01 (-1/4)Del**2(Rho)) -0.1220479E-01 Diamond 0.1327753E-02 Metallicity 0.8261130E+00 Ellipticity -0.1101119E+01 Gb(Abramov) 0.9816952E-02 Vb(Abramov) -0.7429111E-02 Hb(Abramov) 0.2387842E-02 Ex_ueg -0.1915425E-02 Ec_ueg -0.4361865E-03 Delta_ex -0.2214595E-02 Delta_ec 0.3517123E-03 Delta_et -0.2831009E-02 Pxc 0.4391297E+01 Qxc -0.6296611E+01 3,+1 139 3 -1 0.868477 -2.026687 3.074126 Rho 0.1395983E+00 |GRAD(Rho)| 0.2484284E-11 GRAD(Rho)x 0.1813523E-11 GRAD(Rho)y 0.1291745E-11 GRAD(Rho)z 0.1101906E-11 Laplacian 0.5584873E+00 (-1/4)Del**2(Rho)) -0.1396218E+00 Diamond 0.1058208E+01 Metallicity 0.4635183E+01 Ellipticity 0.2184878E-01 Gb(Abramov) 0.2009433E+00 Vb(Abramov) -0.2622648E+00 Hb(Abramov) -0.6132150E-01 Ex_ueg -0.5348418E-01 Ec_ueg -0.7781018E-02 Delta_ex -0.5915068E-01 Delta_ec 0.1481488E-01 Delta_et -0.1959822E+00 Pxc 0.6873673E+01 Qxc -0.3992654E+01 3,-1 140 3 -1 0.582562 2.872368 1.868858 Rho 0.1268197E+00 |GRAD(Rho)| 0.1941146E-13 GRAD(Rho)x 0.2238850E-14 GRAD(Rho)y -0.9944905E-14 GRAD(Rho)z -0.1651942E-13 Laplacian 0.5374579E+00 (-1/4)Del**2(Rho)) -0.1343645E+00 Diamond 0.9135164E+00 Metallicity 0.4104369E+01 Ellipticity 0.1635670E-01 Gb(Abramov) 0.1814899E+00 Vb(Abramov) -0.2286153E+00 Hb(Abramov) -0.4712540E-01 Ex_ueg -0.4705804E-01 Ec_ueg -0.6976601E-02 Delta_ex -0.5570044E-01 Delta_ec 0.1472144E-01 Delta_et -0.1919344E+00 Pxc 0.6745125E+01 Qxc -0.3783626E+01 3,-1 141 3 -1 0.913301 1.891365 -3.047579 Rho 0.1145552E+00 |GRAD(Rho)| 0.1670120E-14 GRAD(Rho)x -0.1107445E-14 GRAD(Rho)y 0.1132896E-14 GRAD(Rho)z 0.5285960E-15 Laplacian 0.4675420E+00 (-1/4)Del**2(Rho)) -0.1168855E+00 Diamond 0.7041778E+00 Metallicity 0.3982454E+01 Ellipticity 0.2536474E-01 Gb(Abramov) 0.1555055E+00 Vb(Abramov) -0.1941255E+00 Hb(Abramov) -0.3862003E-01 Ex_ueg -0.4109021E-01 Ec_ueg -0.6214895E-02 Delta_ex -0.4731609E-01 Delta_ec 0.1313466E-01 Delta_et -0.1681719E+00 Pxc 0.6611569E+01 Qxc -0.3602385E+01 3,-1 142 3 +1 1.709965 -0.577135 -0.521827 Rho 0.7468921E-02 |GRAD(Rho)| 0.1025430E-16 GRAD(Rho)x -0.7225479E-17 GRAD(Rho)y 0.2183931E-18 GRAD(Rho)z 0.7272923E-17 Laplacian 0.2933853E-01 (-1/4)Del**2(Rho)) -0.7334631E-02 Diamond 0.6574194E-03 Metallicity 0.6703032E+00 Ellipticity -0.1397613E+01 Gb(Abramov) 0.5709159E-02 Vb(Abramov) -0.4083686E-02 Hb(Abramov) 0.1625473E-02 Ex_ueg -0.1078273E-02 Ec_ueg -0.2546603E-03 Delta_ex -0.1298727E-02 Delta_ec 0.4220002E-03 Delta_et -0.2773448E-02 Pxc 0.4234163E+01 Qxc -0.3077551E+01 3,+1 143 3 -1 1.240589 -2.275133 -1.988621 Rho 0.5772364E-01 |GRAD(Rho)| 0.7803384E-16 GRAD(Rho)x -0.5110061E-17 GRAD(Rho)y 0.7257152E-16 GRAD(Rho)z -0.2822305E-16 Laplacian 0.1378549E+00 (-1/4)Del**2(Rho)) -0.3446372E-01 Diamond 0.1398108E+00 Metallicity 0.4309702E+01 Ellipticity 0.5710472E-02 Gb(Abramov) 0.4773054E-01 Vb(Abramov) -0.6099736E-01 Hb(Abramov) -0.1326682E-01 Ex_ueg -0.1647619E-01 Ec_ueg -0.2846057E-02 Delta_ex -0.1371959E-01 Delta_ec 0.7588658E-02 Delta_et -0.8449776E-01 Pxc 0.5789129E+01 Qxc -0.1807908E+01 3,-1 144 3 -1 2.990613 -2.062964 0.814382 Rho 0.1318342E+00 |GRAD(Rho)| 0.2835336E-13 GRAD(Rho)x 0.1157044E-13 GRAD(Rho)y -0.2249881E-13 GRAD(Rho)z -0.1280006E-13 Laplacian 0.5223897E+00 (-1/4)Del**2(Rho)) -0.1305974E+00 Diamond 0.8967940E+00 Metallicity 0.4504693E+01 Ellipticity 0.1550957E-01 Gb(Abramov) 0.1851152E+00 Vb(Abramov) -0.2396329E+00 Hb(Abramov) -0.5451774E-01 Ex_ueg -0.4955518E-01 Ec_ueg -0.7290989E-02 Delta_ex -0.5424691E-01 Delta_ec 0.1347210E-01 Delta_et -0.1755123E+00 Pxc 0.6796770E+01 Qxc -0.4026610E+01 3,-1 145 3 -1 0.878291 2.989436 -2.048552 Rho 0.1411562E+00 |GRAD(Rho)| 0.3676098E-15 GRAD(Rho)x -0.8622118E-16 GRAD(Rho)y -0.3226586E-15 GRAD(Rho)z -0.1536043E-15 Laplacian 0.5658456E+00 (-1/4)Del**2(Rho)) -0.1414614E+00 Diamond 0.1086156E+01 Metallicity 0.4660315E+01 Ellipticity 0.2618029E-01 Gb(Abramov) 0.2041834E+00 Vb(Abramov) -0.2669054E+00 Hb(Abramov) -0.6272199E-01 Ex_ueg -0.5428149E-01 Ec_ueg -0.7879811E-02 Delta_ex -0.6008720E-01 Delta_ec 0.1496260E-01 Delta_et -0.1982647E+00 Pxc 0.6888679E+01 Qxc -0.4015826E+01 3,-1 146 3 +1 1.960060 -1.778818 -1.729618 Rho 0.1573246E-01 |GRAD(Rho)| 0.4427144E-16 GRAD(Rho)x 0.3108837E-16 GRAD(Rho)y 0.3142124E-16 GRAD(Rho)z -0.2485836E-17 Laplacian 0.7471276E-01 (-1/4)Del**2(Rho)) -0.1867819E-01 Diamond 0.4425517E-02 Metallicity 0.9110581E+00 Ellipticity -0.1440642E+01 Gb(Abramov) 0.1528828E-01 Vb(Abramov) -0.1189837E-01 Hb(Abramov) 0.3389911E-02 Ex_ueg -0.2911481E-02 Ec_ueg -0.6345022E-03 Delta_ex -0.3963819E-02 Delta_ec 0.9992486E-03 Delta_et -0.7979447E-02 Pxc 0.4588606E+01 Qxc -0.3966799E+01 3,+1 147 3 +1 3.057082 -0.079492 0.114237 Rho 0.4978767E-02 |GRAD(Rho)| 0.1758872E-15 GRAD(Rho)x 0.9889482E-17 GRAD(Rho)y -0.1069925E-15 GRAD(Rho)z 0.1392520E-15 Laplacian 0.1935315E-01 (-1/4)Del**2(Rho)) -0.4838288E-02 Diamond 0.4611653E-03 Metallicity 0.5168895E+00 Ellipticity -0.5226002E+01 Gb(Abramov) 0.3642335E-02 Vb(Abramov) -0.2446383E-02 Hb(Abramov) 0.1195953E-02 Ex_ueg -0.6278859E-03 Ec_ueg -0.1459992E-03 Delta_ex -0.9730310E-03 Delta_ec 0.6301287E-03 Delta_et -0.3409379E-02 Pxc 0.4300613E+01 Qxc -0.1544178E+01 3,+1 148 3 -1 1.697058 -1.791289 0.516745 Rho 0.4137790E-01 |GRAD(Rho)| 0.4541468E-13 GRAD(Rho)x 0.2921930E-13 GRAD(Rho)y -0.3092928E-13 GRAD(Rho)z -0.1587782E-13 Laplacian 0.1634364E+00 (-1/4)Del**2(Rho)) -0.4085909E-01 Diamond 0.6300305E-01 Metallicity 0.2087109E+01 Ellipticity 0.2636341E-01 Gb(Abramov) 0.4145229E-01 Vb(Abramov) -0.4204549E-01 Hb(Abramov) -0.5932014E-03 Ex_ueg -0.1057003E-01 Ec_ueg -0.1944135E-02 Delta_ex -0.1277274E-01 Delta_ec 0.4772349E-02 Delta_et -0.4784863E-01 Pxc 0.5436883E+01 Qxc -0.2676405E+01 3,-1 149 3 -1 2.001495 -0.608603 -2.810428 Rho 0.1422260E+00 |GRAD(Rho)| 0.1212320E-13 GRAD(Rho)x -0.1070749E-13 GRAD(Rho)y -0.1802540E-14 GRAD(Rho)z 0.5391900E-14 Laplacian 0.5343440E+00 (-1/4)Del**2(Rho)) -0.1335860E+00 Diamond 0.1030280E+01 Metallicity 0.4997548E+01 Ellipticity 0.1059720E+00 Gb(Abramov) 0.2003244E+00 Vb(Abramov) -0.2670628E+00 Hb(Abramov) -0.6673841E-01 Ex_ueg -0.5483067E-01 Ec_ueg -0.7947735E-02 Delta_ex -0.5679524E-01 Delta_ec 0.1401314E-01 Delta_et -0.1857122E+00 Pxc 0.6898905E+01 Qxc -0.4052999E+01 3,-1 150 3 -1 3.107701 0.859341 -2.000517 Rho 0.1576149E+00 |GRAD(Rho)| 0.6834856E-15 GRAD(Rho)x -0.2148753E-15 GRAD(Rho)y -0.5048045E-15 GRAD(Rho)z -0.4076194E-15 Laplacian 0.6303495E+00 (-1/4)Del**2(Rho)) -0.1575874E+00 Diamond 0.1344694E+01 Metallicity 0.5027601E+01 Ellipticity 0.3779536E-01 Gb(Abramov) 0.2371060E+00 Vb(Abramov) -0.3166246E+00 Hb(Abramov) -0.7951861E-01 Ex_ueg -0.6288035E-01 Ec_ueg -0.8932749E-02 Delta_ex -0.6842292E-01 Delta_ec 0.1561353E-01 Delta_et -0.2087857E+00 Pxc 0.7039305E+01 Qxc -0.4382284E+01 3,-1 151 3 +3 2.343232 -0.019371 0.045013 Rho 0.3966797E-02 |GRAD(Rho)| 0.9234404E-17 GRAD(Rho)x -0.7936640E-17 GRAD(Rho)y -0.3418070E-17 GRAD(Rho)z 0.3255881E-17 Laplacian 0.1590711E-01 (-1/4)Del**2(Rho)) -0.3976777E-02 Diamond 0.1072254E-03 Metallicity 0.4306143E+00 Ellipticity -0.2621694E+00 Gb(Abramov) 0.2936595E-02 Vb(Abramov) -0.1896412E-02 Hb(Abramov) 0.1040183E-02 Ex_ueg -0.4637725E-03 Ec_ueg -0.1027245E-03 Delta_ex -0.5488450E-03 Delta_ec 0.1293677E-03 Delta_et -0.8083607E-03 Pxc 0.4514723E+01 Qxc -0.4242518E+01 3,+3 152 3 -1 1.735741 -0.546640 1.741116 Rho 0.3667783E-01 |GRAD(Rho)| 0.1012196E-15 GRAD(Rho)x 0.4668634E-16 GRAD(Rho)y 0.5204636E-16 GRAD(Rho)z 0.7319127E-16 Laplacian 0.1540147E+00 (-1/4)Del**2(Rho)) -0.3850366E-01 Diamond 0.5487030E-01 Metallicity 0.1811578E+01 Ellipticity 0.1674264E-01 Gb(Abramov) 0.3729451E-01 Vb(Abramov) -0.3608535E-01 Hb(Abramov) 0.1209155E-02 Ex_ueg -0.9000290E-02 Ec_ueg -0.1692929E-02 Delta_ex -0.1197320E-01 Delta_ec 0.5021768E-02 Delta_et -0.4877351E-01 Pxc 0.5316401E+01 Qxc -0.2384259E+01 3,-1 153 3 -1 1.805281 0.506094 -1.735328 Rho 0.3889371E-01 |GRAD(Rho)| 0.5293238E-16 GRAD(Rho)x 0.4058220E-16 GRAD(Rho)y -0.6765782E-17 GRAD(Rho)z -0.3330385E-16 Laplacian 0.1530672E+00 (-1/4)Del**2(Rho)) -0.3826680E-01 Diamond 0.5388913E-01 Metallicity 0.2010002E+01 Ellipticity 0.2003069E-01 Gb(Abramov) 0.3833059E-01 Vb(Abramov) -0.3839439E-01 Hb(Abramov) -0.6379388E-04 Ex_ueg -0.9732494E-02 Ec_ueg -0.1810848E-02 Delta_ex -0.1175830E-01 Delta_ec 0.4433620E-02 Delta_et -0.4371702E-01 Pxc 0.5374549E+01 Qxc -0.2652076E+01 3,-1 154 3 -1 1.865823 0.582748 2.872762 Rho 0.1158821E+00 |GRAD(Rho)| 0.7047698E-15 GRAD(Rho)x 0.4534540E-15 GRAD(Rho)y -0.4922684E-15 GRAD(Rho)z -0.2207978E-15 Laplacian 0.4910358E+00 (-1/4)Del**2(Rho)) -0.1227589E+00 Diamond 0.7503936E+00 Metallicity 0.3865395E+01 Ellipticity 0.2686184E-01 Gb(Abramov) 0.1609246E+00 Vb(Abramov) -0.1990903E+00 Hb(Abramov) -0.3816566E-01 Ex_ueg -0.4172601E-01 Ec_ueg -0.6296793E-02 Delta_ex -0.4983563E-01 Delta_ec 0.1377152E-01 Delta_et -0.1767249E+00 Pxc 0.6626549E+01 Qxc -0.3618745E+01 3,-1 155 3 -1 2.103411 0.781416 -3.030392 Rho 0.1445661E+00 |GRAD(Rho)| 0.2098682E-13 GRAD(Rho)x 0.1360807E-13 GRAD(Rho)y -0.1362845E-13 GRAD(Rho)z 0.8338612E-14 Laplacian 0.5585845E+00 (-1/4)Del**2(Rho)) -0.1396461E+00 Diamond 0.1084467E+01 Metallicity 0.4912489E+01 Ellipticity 0.2063059E-01 Gb(Abramov) 0.2074324E+00 Vb(Abramov) -0.2752187E+00 Hb(Abramov) -0.6778630E-01 Ex_ueg -0.5603683E-01 Ec_ueg -0.8096577E-02 Delta_ex -0.5946281E-01 Delta_ec 0.1433169E-01 Delta_et -0.1898483E+00 Pxc 0.6921052E+01 Qxc -0.4149044E+01 3,-1 156 3 -1 1.993238 -3.090418 0.825961 Rho 0.1555298E+00 |GRAD(Rho)| 0.9934336E-15 GRAD(Rho)x 0.6475804E-15 GRAD(Rho)y 0.2779623E-15 GRAD(Rho)z -0.7002049E-15 Laplacian 0.5961628E+00 (-1/4)Del**2(Rho)) -0.1490407E+00 Diamond 0.1268001E+01 Metallicity 0.5199216E+01 Ellipticity 0.2798113E-01 Gb(Abramov) 0.2285096E+00 Vb(Abramov) -0.3079785E+00 Hb(Abramov) -0.7946890E-01 Ex_ueg -0.6177367E-01 Ec_ueg -0.8798438E-02 Delta_ex -0.6465466E-01 Delta_ec 0.1509476E-01 Delta_et -0.2021875E+00 Pxc 0.7020981E+01 Qxc -0.4283253E+01 3,-1 157 3 -1 1.829651 -2.831420 -0.597703 Rho 0.1892792E+00 |GRAD(Rho)| 0.1938494E-14 GRAD(Rho)x 0.1502514E-14 GRAD(Rho)y 0.2352448E-15 GRAD(Rho)z 0.1202028E-14 Laplacian 0.7363848E+00 (-1/4)Del**2(Rho)) -0.1840962E+00 Diamond 0.1942288E+01 Metallicity 0.5839109E+01 Ellipticity 0.1392303E-01 Gb(Abramov) 0.3018904E+00 Vb(Abramov) -0.4196846E+00 Hb(Abramov) -0.1177942E+00 Ex_ueg -0.8026428E-01 Ec_ueg -0.1100380E-01 Delta_ex -0.8358123E-01 Delta_ec 0.1719376E-01 Delta_et -0.2339470E+00 Pxc 0.7294231E+01 Qxc -0.4861138E+01 3,-1 158 3 +3 1.967064 1.918088 -1.954303 Rho 0.1146494E-01 |GRAD(Rho)| 0.1101931E-16 GRAD(Rho)x 0.1024224E-16 GRAD(Rho)y 0.2444349E-17 GRAD(Rho)z -0.3247582E-17 Laplacian 0.4829474E-01 (-1/4)Del**2(Rho)) -0.1207369E-01 Diamond 0.1057665E-02 Metallicity 0.8317626E+00 Ellipticity -0.8592344E+00 Gb(Abramov) 0.9722863E-02 Vb(Abramov) -0.7372042E-02 Hb(Abramov) 0.2350822E-02 Ex_ueg -0.1909328E-02 Ec_ueg -0.4349252E-03 Delta_ex -0.2112101E-02 Delta_ec 0.2100474E-03 Delta_et -0.1885385E-02 Pxc 0.4390014E+01 Qxc -0.1005536E+02 3,+3 159 3 -1 1.729355 1.743854 -0.508652 Rho 0.3524991E-01 |GRAD(Rho)| 0.3048704E-16 GRAD(Rho)x -0.2290843E-16 GRAD(Rho)y 0.2938993E-17 GRAD(Rho)z -0.1990040E-16 Laplacian 0.1465493E+00 (-1/4)Del**2(Rho)) -0.3663732E-01 Diamond 0.4945092E-01 Metallicity 0.1781939E+01 Ellipticity 0.2461235E-01 Gb(Abramov) 0.3530579E-01 Vb(Abramov) -0.3397426E-01 Hb(Abramov) 0.1331529E-02 Ex_ueg -0.8536156E-02 Ec_ueg -0.1617449E-02 Delta_ex -0.1128313E-01 Delta_ec 0.4777062E-02 Delta_et -0.4588703E-01 Pxc 0.5277543E+01 Qxc -0.2361939E+01 3,-1 160 3 -1 2.003489 3.052820 -0.869908 Rho 0.1122993E+00 |GRAD(Rho)| 0.3991023E-15 GRAD(Rho)x 0.2419939E-15 GRAD(Rho)y -0.1355253E-15 GRAD(Rho)z 0.2869748E-15 Laplacian 0.4594328E+00 (-1/4)Del**2(Rho)) -0.1148582E+00 Diamond 0.6734780E+00 Metallicity 0.3920603E+01 Ellipticity 0.7369607E-02 Gb(Abramov) 0.1516244E+00 Vb(Abramov) -0.1883905E+00 Hb(Abramov) -0.3676617E-01 Ex_ueg -0.4001484E-01 Ec_ueg -0.6075941E-02 Delta_ex -0.4624791E-01 Delta_ec 0.1290949E-01 Delta_et -0.1645905E+00 Pxc 0.6585785E+01 Qxc -0.3582474E+01 3,-1 161 3 -1 2.837876 1.873146 0.609086 Rho 0.1320168E+00 |GRAD(Rho)| 0.2149047E-15 GRAD(Rho)x 0.1389134E-16 GRAD(Rho)y -0.1485628E-15 GRAD(Rho)z 0.1546614E-15 Laplacian 0.5571108E+00 (-1/4)Del**2(Rho)) -0.1392777E+00 Diamond 0.9911382E+00 Metallicity 0.4233702E+01 Ellipticity 0.1730589E-01 Gb(Abramov) 0.1911285E+00 Vb(Abramov) -0.2429793E+00 Hb(Abramov) -0.5185081E-01 Ex_ueg -0.4964673E-01 Ec_ueg -0.7302471E-02 Delta_ex -0.5826336E-01 Delta_ec 0.1506167E-01 Delta_et -0.1976174E+00 Pxc 0.6798621E+01 Qxc -0.3868321E+01 3,-1 162 3 -1 3.039085 2.037245 -0.841592 Rho 0.1027279E+00 |GRAD(Rho)| 0.2509276E-14 GRAD(Rho)x -0.7201271E-15 GRAD(Rho)y 0.1598805E-14 GRAD(Rho)z 0.1794910E-14 Laplacian 0.4263669E+00 (-1/4)Del**2(Rho)) -0.1065917E+00 Diamond 0.5679435E+00 Metallicity 0.3641755E+01 Ellipticity 0.5185170E-02 Gb(Abramov) 0.1357580E+00 Vb(Abramov) -0.1649242E+00 Hb(Abramov) -0.2916624E-01 Ex_ueg -0.3553338E-01 Ec_ueg -0.5490595E-02 Delta_ex -0.4214504E-01 Delta_ec 0.1241270E-01 Delta_et -0.1557700E+00 Pxc 0.6471680E+01 Qxc -0.3395318E+01 3,-1 163 3 -1 2.820922 -1.852889 -0.574094 Rho 0.1138225E+00 |GRAD(Rho)| 0.1455202E-14 GRAD(Rho)x -0.3523386E-15 GRAD(Rho)y -0.1183827E-14 GRAD(Rho)z 0.7694312E-15 Laplacian 0.4653360E+00 (-1/4)Del**2(Rho)) -0.1163340E+00 Diamond 0.6776725E+00 Metallicity 0.3958769E+01 Ellipticity 0.1401525E-01 Gb(Abramov) 0.1543126E+00 Vb(Abramov) -0.1922911E+00 Hb(Abramov) -0.3797857E-01 Ex_ueg -0.4074015E-01 Ec_ueg -0.6169723E-02 Delta_ex -0.4676586E-01 Delta_ec 0.1263449E-01 Delta_et -0.1609066E+00 Pxc 0.6603239E+01 Qxc -0.3701445E+01 3,-1 164 3 -1 3.035467 -0.887285 1.983140 Rho 0.1210909E+00 |GRAD(Rho)| 0.3368196E-15 GRAD(Rho)x 0.1727947E-17 GRAD(Rho)y -0.2895091E-15 GRAD(Rho)z -0.1721306E-15 Laplacian 0.4914352E+00 (-1/4)Del**2(Rho)) -0.1228588E+00 Diamond 0.7915237E+00 Metallicity 0.4155911E+01 Ellipticity 0.1597046E-01 Gb(Abramov) 0.1670042E+00 Vb(Abramov) -0.2111497E+00 Hb(Abramov) -0.4414544E-01 Ex_ueg -0.4424531E-01 Ec_ueg -0.6619507E-02 Delta_ex -0.5039281E-01 Delta_ec 0.1363860E-01 Delta_et -0.1764244E+00 Pxc 0.6684079E+01 Qxc -0.3694868E+01 3,-1 165 3 -1 3.242411 3.304446 0.081495 Rho 0.2028749E+00 |GRAD(Rho)| 0.4191411E-15 GRAD(Rho)x 0.2461681E-15 GRAD(Rho)y 0.3101360E-15 GRAD(Rho)z 0.1374633E-15 Laplacian 0.7595610E+00 (-1/4)Del**2(Rho)) -0.1898903E+00 Diamond 0.2203916E+01 Metallicity 0.6354740E+01 Ellipticity 0.2169874E-02 Gb(Abramov) 0.3277107E+00 Vb(Abramov) -0.4655311E+00 Hb(Abramov) -0.1378204E+00 Ex_ueg -0.8804193E-01 Ec_ueg -0.1191064E-01 Delta_ex -0.8792846E-01 Delta_ec 0.1771398E-01 Delta_et -0.2434814E+00 Pxc 0.7391874E+01 Qxc -0.4963788E+01 3,-1 166 3 -1 3.393833 -0.053637 -3.183720 Rho 0.2270121E+00 |GRAD(Rho)| 0.4913837E-13 GRAD(Rho)x -0.3527663E-13 GRAD(Rho)y 0.8973603E-14 GRAD(Rho)z 0.3300929E-13 Laplacian 0.8276718E+00 (-1/4)Del**2(Rho)) -0.2069180E+00 Diamond 0.2745361E+01 Metallicity 0.7033474E+01 Ellipticity 0.3503367E-02 Gb(Abramov) 0.3805040E+00 Vb(Abramov) -0.5540900E+00 Hb(Abramov) -0.1735860E+00 Ex_ueg -0.1022783E+00 Ec_ueg -0.1354592E-01 Delta_ex -0.9860559E-01 Delta_ec 0.1866274E-01 Delta_et -0.2582402E+00 Pxc 0.7550492E+01 Qxc -0.5283552E+01 3,-1 167 3 -1 2.905451 -0.572257 -1.803291 Rho 0.1503572E+00 |GRAD(Rho)| 0.4242964E-12 GRAD(Rho)x -0.3603828E-13 GRAD(Rho)y 0.2869710E-12 GRAD(Rho)z -0.3104454E-12 Laplacian 0.6170049E+00 (-1/4)Del**2(Rho)) -0.1542512E+00 Diamond 0.1245683E+01 Metallicity 0.4748228E+01 Ellipticity 0.2111410E-01 Gb(Abramov) 0.2249041E+00 Vb(Abramov) -0.2955571E+00 Hb(Abramov) -0.7065292E-01 Ex_ueg -0.5904965E-01 Ec_ueg -0.8466383E-02 Delta_ex -0.6621730E-01 Delta_ec 0.1549925E-01 Delta_et -0.2060550E+00 Pxc 0.6974601E+01 Qxc -0.4272291E+01 3,-1 168 3 -1 3.309044 0.020546 3.240040 Rho 0.2027970E+00 |GRAD(Rho)| 0.4049354E-15 GRAD(Rho)x -0.1769960E-15 GRAD(Rho)y -0.1069836E-15 GRAD(Rho)z -0.3481373E-15 Laplacian 0.7604184E+00 (-1/4)Del**2(Rho)) -0.1901046E+00 Diamond 0.2206694E+01 Metallicity 0.6343513E+01 Ellipticity 0.2419533E-02 Gb(Abramov) 0.3277249E+00 Vb(Abramov) -0.4653452E+00 Hb(Abramov) -0.1376203E+00 Ex_ueg -0.8799685E-01 Ec_ueg -0.1190541E-01 Delta_ex -0.8802778E-01 Delta_ec 0.1775142E-01 Delta_et -0.2440436E+00 Pxc 0.7391333E+01 Qxc -0.4958914E+01 3,-1 169 3 -1 2.860528 0.589789 1.843061 Rho 0.1267769E+00 |GRAD(Rho)| 0.5564062E-13 GRAD(Rho)x 0.4226638E-13 GRAD(Rho)y -0.1367354E-13 GRAD(Rho)z -0.3350323E-13 Laplacian 0.5372142E+00 (-1/4)Del**2(Rho)) -0.1343036E+00 Diamond 0.9124553E+00 Metallicity 0.4103925E+01 Ellipticity 0.1816286E-01 Gb(Abramov) 0.1813976E+00 Vb(Abramov) -0.2284917E+00 Hb(Abramov) -0.4709410E-01 Ex_ueg -0.4703690E-01 Ec_ueg -0.6973929E-02 Delta_ex -0.5566726E-01 Delta_ec 0.1470976E-01 Delta_et -0.1917602E+00 Pxc 0.6744677E+01 Qxc -0.3784376E+01 3,-1 170 3 -1 3.199894 -3.289300 -0.100798 Rho 0.2238257E+00 |GRAD(Rho)| 0.6772385E-14 GRAD(Rho)x -0.4035021E-14 GRAD(Rho)y 0.1775489E-14 GRAD(Rho)z 0.5141151E-14 Laplacian 0.8221493E+00 (-1/4)Del**2(Rho)) -0.2055373E+00 Diamond 0.2680180E+01 Metallicity 0.6915851E+01 Ellipticity 0.1099799E-01 Gb(Abramov) 0.3739358E+00 Vb(Abramov) -0.5423343E+00 Hb(Abramov) -0.1683985E+00 Ex_ueg -0.1003687E+00 Ec_ueg -0.1332820E-01 Delta_ex -0.9758440E-01 Delta_ec 0.1860451E-01 Delta_et -0.2572077E+00 Pxc 0.7530552E+01 Qxc -0.5245202E+01 3,-1 171 3 -1 -3.055245 0.885611 2.024584 Rho 0.1068108E+00 |GRAD(Rho)| 0.1176653E-15 GRAD(Rho)x -0.3360349E-16 GRAD(Rho)y 0.9577571E-16 GRAD(Rho)z 0.5952270E-16 Laplacian 0.4399690E+00 (-1/4)Del**2(Rho)) -0.1099923E+00 Diamond 0.6107664E+00 Metallicity 0.3766024E+01 Ellipticity 0.1083562E-01 Gb(Abramov) 0.1423671E+00 Vb(Abramov) -0.1747419E+00 Hb(Abramov) -0.3237482E-01 Ex_ueg -0.3742875E-01 Ec_ueg -0.5739441E-02 Delta_ex -0.4382909E-01 Delta_ec 0.1260231E-01 Delta_et -0.1592639E+00 Pxc 0.6521322E+01 Qxc -0.3477862E+01 3,-1 172 3 +1 -1.132121 1.388052 2.247046 Rho 0.2483474E-01 |GRAD(Rho)| 0.9510685E-17 GRAD(Rho)x 0.7695726E-17 GRAD(Rho)y 0.4106359E-17 GRAD(Rho)z -0.3790348E-17 Laplacian 0.9173097E-01 (-1/4)Del**2(Rho)) -0.2293274E-01 Diamond 0.1206038E-01 Metallicity 0.1588047E+01 Ellipticity -0.5597178E+01 Gb(Abramov) 0.2135821E-01 Vb(Abramov) -0.1978367E-01 Hb(Abramov) 0.1574536E-02 Ex_ueg -0.5351366E-02 Ec_ueg -0.1080397E-02 Delta_ex -0.5713923E-02 Delta_ec 0.1590258E-02 Delta_et -0.1400678E-01 Pxc 0.4953146E+01 Qxc -0.3593080E+01 3,+1 173 3 -1 -3.046050 2.021144 0.856624 Rho 0.1535542E+00 |GRAD(Rho)| 0.8159387E-13 GRAD(Rho)x 0.6209266E-13 GRAD(Rho)y -0.5224693E-13 GRAD(Rho)z 0.8504048E-14 Laplacian 0.5959979E+00 (-1/4)Del**2(Rho)) -0.1489995E+00 Diamond 0.1239738E+01 Metallicity 0.5091017E+01 Ellipticity 0.3085367E-01 Gb(Abramov) 0.2257595E+00 Vb(Abramov) -0.3025194E+00 Hb(Abramov) -0.7675999E-01 Ex_ueg -0.6072963E-01 Ec_ueg -0.8671420E-02 Delta_ex -0.6435045E-01 Delta_ec 0.1499064E-01 Delta_et -0.2000937E+00 Pxc 0.7003423E+01 Qxc -0.4292708E+01 3,-1 174 3 +3 -0.316301 -0.669511 -2.722414 Rho 0.3002588E-02 |GRAD(Rho)| 0.8098896E-15 GRAD(Rho)x -0.7927340E-15 GRAD(Rho)y -0.1625474E-15 GRAD(Rho)z -0.3274655E-16 Laplacian 0.1171783E-01 (-1/4)Del**2(Rho)) -0.2929458E-02 Diamond 0.8077405E-04 Metallicity 0.3675013E+00 Ellipticity -0.3794666E+00 Gb(Abramov) 0.2132402E-02 Vb(Abramov) -0.1335346E-02 Hb(Abramov) 0.7970560E-03 Ex_ueg -0.3199235E-03 Ec_ueg -0.6199546E-04 Delta_ex -0.4254913E-03 Delta_ec 0.1823295E-03 Delta_et -0.9263839E-03 Pxc 0.5160434E+01 Qxc -0.2333639E+01 3,+3 175 3 -1 -2.051933 0.911685 3.108592 Rho 0.1380948E+00 |GRAD(Rho)| 0.2592296E-13 GRAD(Rho)x -0.2010439E-13 GRAD(Rho)y -0.1534295E-13 GRAD(Rho)z 0.5692739E-14 Laplacian 0.5544354E+00 (-1/4)Del**2(Rho)) -0.1386089E+00 Diamond 0.1038502E+01 Metallicity 0.4585547E+01 Ellipticity 0.1997848E-01 Gb(Abramov) 0.1983388E+00 Vb(Abramov) -0.2580687E+00 Hb(Abramov) -0.5972994E-01 Ex_ueg -0.5271751E-01 Ec_ueg -0.7685822E-02 Delta_ex -0.5858516E-01 Delta_ec 0.1477645E-01 Delta_et -0.1952009E+00 Pxc 0.6859059E+01 Qxc -0.3964766E+01 3,-1 176 3 -1 -1.665506 -2.722377 -2.431102 Rho 0.4110033E-01 |GRAD(Rho)| 0.3298938E-16 GRAD(Rho)x -0.7187872E-17 GRAD(Rho)y 0.2682100E-16 GRAD(Rho)z -0.1781200E-16 Laplacian 0.1104935E+00 (-1/4)Del**2(Rho)) -0.2762337E-01 Diamond 0.6534833E-01 Metallicity 0.3052708E+01 Ellipticity 0.2321407E-01 Gb(Abramov) 0.3246993E-01 Vb(Abramov) -0.3731649E-01 Hb(Abramov) -0.4846559E-02 Ex_ueg -0.1047560E-01 Ec_ueg -0.1929187E-02 Delta_ex -0.9916054E-02 Delta_ec 0.5539285E-02 Delta_et -0.5575337E-01 Pxc 0.5430059E+01 Qxc -0.1790132E+01 3,-1 177 3 -1 -1.744451 -2.189289 -3.037259 Rho 0.3120740E+00 |GRAD(Rho)| 0.7146167E-15 GRAD(Rho)x -0.4691857E-15 GRAD(Rho)y 0.4825123E-15 GRAD(Rho)z 0.2402575E-15 Laplacian -0.1538512E+01 (-1/4)Del**2(Rho)) 0.3846279E+00 Diamond 0.5288612E+01 Metallicity -0.6430947E+01 Ellipticity 0.3897841E-02 Gb(Abramov) 0.1558350E+00 Vb(Abramov) -0.6962980E+00 Hb(Abramov) -0.5404630E+00 Ex_ueg -0.1563370E+00 Ec_ueg -0.1956389E-01 Delta_ex 0.1514392E+00 Delta_ec 0.5415684E-01 Delta_et -0.1270665E+01 Pxc 0.7991100E+01 Qxc 0.2796309E+01 3,-1 178 3 -1 -0.821733 -3.333000 -1.400254 Rho 0.3196547E+00 |GRAD(Rho)| 0.3383497E-11 GRAD(Rho)x -0.1766595E-11 GRAD(Rho)y -0.1806103E-11 GRAD(Rho)z 0.2250597E-11 Laplacian -0.1621658E+01 (-1/4)Del**2(Rho)) 0.4054145E+00 Diamond 0.5589870E+01 Metallicity -0.6350225E+01 Ellipticity 0.4463880E-02 Gb(Abramov) 0.1588025E+00 Vb(Abramov) -0.7230196E+00 Hb(Abramov) -0.5642170E+00 Ex_ueg -0.1614209E+00 Ec_ueg -0.2011961E-01 Delta_ex 0.1616760E+00 Delta_ec 0.5612276E-01 Delta_et -0.1333296E+01 Pxc 0.8023065E+01 Qxc 0.2880756E+01 3,-1 179 3 -1 -0.590735 -2.804468 1.809717 Rho 0.9904370E-01 |GRAD(Rho)| 0.7242633E-14 GRAD(Rho)x 0.5308247E-14 GRAD(Rho)y 0.7722230E-15 GRAD(Rho)z -0.4866408E-14 Laplacian 0.4290375E+00 (-1/4)Del**2(Rho)) -0.1072594E+00 Diamond 0.5475111E+00 Metallicity 0.3405358E+01 Ellipticity 0.1546472E-01 Gb(Abramov) 0.1323823E+00 Vb(Abramov) -0.1575053E+00 Hb(Abramov) -0.2512296E-01 Ex_ueg -0.3384446E-01 Ec_ueg -0.5267159E-02 Delta_ex -0.4206496E-01 Delta_ec 0.1260945E-01 Delta_et -0.1570815E+00 Pxc 0.6425561E+01 Qxc -0.3335986E+01 3,-1 180 3 +3 1.939975 -1.992473 1.966575 Rho 0.1136927E-01 |GRAD(Rho)| 0.2001327E-16 GRAD(Rho)x 0.4760699E-17 GRAD(Rho)y 0.1247244E-16 GRAD(Rho)z 0.1490989E-16 Laplacian 0.4801540E-01 (-1/4)Del**2(Rho)) -0.1200385E-01 Diamond 0.1069431E-02 Metallicity 0.8249990E+00 Ellipticity -0.9110289E+00 Gb(Abramov) 0.9653093E-02 Vb(Abramov) -0.7302337E-02 Hb(Abramov) 0.2350756E-02 Ex_ueg -0.1888115E-02 Ec_ueg -0.4305310E-03 Delta_ex -0.2104110E-02 Delta_ec 0.2255334E-03 Delta_et -0.1983026E-02 Pxc 0.4385548E+01 Qxc -0.9329484E+01 3,+3 181 3 -1 0.867874 -3.050265 2.003677 Rho 0.1052265E+00 |GRAD(Rho)| 0.1299786E-13 GRAD(Rho)x -0.1996423E-15 GRAD(Rho)y 0.1060854E-13 GRAD(Rho)z -0.7507565E-14 Laplacian 0.4365076E+00 (-1/4)Del**2(Rho)) -0.1091269E+00 Diamond 0.5949069E+00 Metallicity 0.3702514E+01 Ellipticity 0.1907358E-01 Gb(Abramov) 0.1400919E+00 Vb(Abramov) -0.1710569E+00 Hb(Abramov) -0.3096500E-01 Ex_ueg -0.3669036E-01 Ec_ueg -0.5642729E-02 Delta_ex -0.4332975E-01 Delta_ec 0.1253761E-01 Delta_et -0.1579696E+00 Pxc 0.6502237E+01 Qxc -0.3455981E+01 3,-1 182 3 -1 0.612267 1.842683 2.900874 Rho 0.1412471E+00 |GRAD(Rho)| 0.1825838E-15 GRAD(Rho)x -0.2016616E-16 GRAD(Rho)y -0.6448292E-16 GRAD(Rho)z 0.1696234E-15 Laplacian 0.5885058E+00 (-1/4)Del**2(Rho)) -0.1471264E+00 Diamond 0.1131016E+01 Metallicity 0.4485679E+01 Ellipticity 0.1279392E-01 Gb(Abramov) 0.2080779E+00 Vb(Abramov) -0.2690295E+00 Hb(Abramov) -0.6095151E-01 Ex_ueg -0.5432807E-01 Ec_ueg -0.7885576E-02 Delta_ex -0.6250852E-01 Delta_ec 0.1556882E-01 Delta_et -0.2063375E+00 Pxc 0.6889550E+01 Qxc -0.4014981E+01 3,-1 183 3 -1 1.812084 2.896291 0.607337 Rho 0.1340678E+00 |GRAD(Rho)| 0.1981719E-15 GRAD(Rho)x 0.1383984E-15 GRAD(Rho)y -0.4600405E-16 GRAD(Rho)z -0.1341700E-15 Laplacian 0.5646544E+00 (-1/4)Del**2(Rho)) -0.1411636E+00 Diamond 0.1024018E+01 Metallicity 0.4285860E+01 Ellipticity 0.1777928E-01 Gb(Abramov) 0.1949437E+00 Vb(Abramov) -0.2487237E+00 Hb(Abramov) -0.5378004E-01 Ex_ueg -0.5067780E-01 Ec_ueg -0.7431564E-02 Delta_ex -0.5927917E-01 Delta_ec 0.1522399E-01 Delta_et -0.2002842E+00 Pxc 0.6819265E+01 Qxc -0.3893799E+01 3,-1 184 3 -1 2.034228 -0.883563 3.056698 Rho 0.1132463E+00 |GRAD(Rho)| 0.1219259E-12 GRAD(Rho)x 0.6508790E-13 GRAD(Rho)y 0.9493202E-13 GRAD(Rho)z -0.4021677E-13 Laplacian 0.4633573E+00 (-1/4)Del**2(Rho)) -0.1158393E+00 Diamond 0.6862880E+00 Metallicity 0.3942185E+01 Ellipticity 0.5534435E-02 Gb(Abramov) 0.1533362E+00 Vb(Abramov) -0.1908331E+00 Hb(Abramov) -0.3749689E-01 Ex_ueg -0.4046537E-01 Ec_ueg -0.6134224E-02 Delta_ex -0.4673724E-01 Delta_ec 0.1299917E-01 Delta_et -0.1660027E+00 Pxc 0.6596657E+01 Qxc -0.3595402E+01 3,-1 185 3 -1 1.258159 -1.771665 -2.535048 Rho 0.3006023E+00 |GRAD(Rho)| 0.2927957E-15 GRAD(Rho)x 0.1150549E-15 GRAD(Rho)y -0.1415943E-15 GRAD(Rho)z -0.2290038E-15 Laplacian -0.1447205E+01 (-1/4)Del**2(Rho)) 0.3618013E+00 Diamond 0.4899035E+01 Metallicity -0.6422983E+01 Ellipticity 0.5937928E-02 Gb(Abramov) 0.1461064E+00 Vb(Abramov) -0.6540141E+00 Hb(Abramov) -0.5079077E+00 Ex_ueg -0.1487218E+00 Ec_ueg -0.1872903E-01 Delta_ex 0.1397961E+00 Delta_ec 0.5196162E-01 Delta_et -0.1197012E+01 Pxc 0.7940710E+01 Qxc 0.2690371E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 135 112 179 139 181 122 134 115 133 120 136 123 129 141 145 128 110 182 140 107 93 131 148 163 157 144 156 170 159 161 183 162 160 165 76 90 94 173 95 74 65 70 92 68 91 66 63 81 102 73 83 62 64 78 99 171 175 79 152 169 154 164 184 168 153 167 149 150 155 166 114 121 113 185 105 143 177 176 178 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 21 21 28 28 36 37 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 36 54 53 54 52 52 53 2.401195 1.977658 2.071911 1.950257 2.057604 1.806840 1.711350 1.699677 1.713177 1.723079 2.371214 2.080279 2.019155 2.025521 1.945981 1.804663 2.434796 1.937162 1.978596 2.023581 2.124567 1.808278 2.446498 2.025428 1.835588 1.978178 1.911806 1.769949 2.505193 1.963216 1.956623 2.067540 2.034978 1.807962 2.399549 2.020373 1.919092 1.917222 1.876755 1.763121 2.333487 1.869617 1.882247 1.962065 2.060293 1.765238 2.349284 1.901989 1.868046 1.995551 1.982834 1.763751 2.450002 2.075515 1.961608 2.052967 1.954350 1.804927 2.486401 1.978425 2.013687 2.005373 2.031395 1.808023 2.471358 1.915120 1.954692 1.904442 1.941117 1.764636 3.318285 3.156296 3.345376 1.015372 1.873493 1.608489 1.004152 1.769365 0.998267 2.403430 1.977830 2.072129 1.950521 2.057889 1.806848 1.711365 1.699723 1.713199 1.723088 2.373273 2.080490 2.019459 2.025819 1.946236 1.804673 2.436767 1.937363 1.978761 2.023847 2.124867 1.808281 2.447990 2.025730 1.835780 1.978666 1.912198 1.769965 2.507178 1.963398 1.956814 2.067783 2.035246 1.807966 2.401350 2.020726 1.919461 1.917711 1.877098 1.763134 2.335394 1.869879 1.882540 1.962619 2.060881 1.765252 2.351115 1.902438 1.868295 1.996077 1.983692 1.763761 2.451990 2.075708 1.961800 2.053254 1.954612 1.804936 2.488524 1.978603 2.013850 2.005690 2.031647 1.808024 2.472916 1.915725 1.955560 1.904893 1.941597 1.764644 3.365872 3.158782 3.346717 1.015436 1.874042 1.611230 1.004201 1.772038 0.998349 27 28 26 27 25 23 23 23 23 23 27 27 27 24 26 23 29 26 26 27 29 23 27 26 23 25 25 23 29 26 25 27 25 25 27 24 27 25 29 24 27 24 29 25 26 21 27 25 26 25 25 22 27 26 27 24 27 23 29 25 26 27 25 22 29 25 26 26 25 23 35 35 35 18 28 24 18 24 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 53 54 Ta As Ta Ta W Ta W W W 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 H H 2.1732 2.4686 2.1873 2.1709 2.3415 2.1656 2.4067 2.4125 2.4487 2.1743 2.1625 2.3770 -1.1046 -1.0362 -1.1050 -1.1103 -0.9712 -0.9835 -0.9679 -1.0262 -0.8285 -1.0269 -0.9751 -1.0246 -0.9919 -0.9854 -1.0268 -0.9496 -1.0340 -1.0216 -1.0112 -1.0127 -1.0483 -1.0193 -1.0521 -0.8594 -0.9067 -0.9940 -1.0180 -1.0445 -0.9736 -0.8798 -0.9654 -0.9796 -0.8929 -0.9818 -0.8740 -0.8792 -0.8735 -0.9706 -0.9819 0.2862 0.3218 0.2908 2.1190 0.8477 2.1158 2.1213 2.1323 2.1225 2.1162 2.1226 2.1136 2.1196 2.1242 2.1233 1.9378 1.9413 1.9372 1.9339 1.9310 1.9275 1.9293 1.9211 1.8728 1.9214 1.9323 1.9213 1.9262 1.9293 1.9217 1.9471 1.9295 1.9339 1.9334 1.9334 1.9272 1.9321 1.9273 1.8705 1.8743 1.9370 1.9327 1.9278 1.9362 1.9503 1.9369 1.9356 1.9490 1.9358 1.9524 1.9522 1.9515 1.9369 1.9354 0.5610 0.5413 0.5347 6.0869 1.1393 6.0832 6.0881 6.1191 6.0908 6.1025 6.1097 6.0926 6.0855 6.0934 6.1143 5.1314 5.0579 5.1329 5.1418 5.0121 5.0277 5.0099 5.0812 4.9253 5.0816 5.0153 5.0794 5.0396 5.0288 5.0808 4.9724 5.0791 5.0586 5.0502 5.0518 5.0960 5.0605 5.0996 4.9602 5.0027 5.0287 5.0576 5.0914 5.0127 4.8984 5.0035 5.0194 4.9136 5.0214 4.8903 4.8961 4.8909 5.0087 5.0219 0.1528 0.1369 0.1745 2.5864 10.5444 2.5793 2.5852 3.3779 2.5866 3.3451 3.3255 3.3153 2.5862 2.5856 3.3561 0.0354 0.0370 0.0349 0.0346 0.0282 0.0283 0.0287 0.0240 0.0304 0.0239 0.0275 0.0239 0.0261 0.0274 0.0244 0.0301 0.0254 0.0291 0.0277 0.0275 0.0250 0.0267 0.0251 0.0287 0.0297 0.0284 0.0277 0.0253 0.0247 0.0310 0.0250 0.0246 0.0303 0.0246 0.0313 0.0309 0.0311 0.0250 0.0246 0.0000 0.0000 0.0000 14.0345 0.0000 14.0344 14.0344 14.0292 14.0345 14.0296 14.0296 14.0297 14.0344 14.0343 14.0293 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Ta As Ta Ta W Ta W W W 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 H H 2.359048 2.311907 2.364217 2.353359 2.474716 2.351385 2.494143 2.500699 2.514692 2.354363 2.354963 2.490016 -1.095357 -1.035639 -1.094116 -1.105061 -1.005679 -1.001190 -0.996334 -1.070046 -0.690637 -1.072423 -0.996989 -1.063910 -1.022596 -1.010053 -1.068545 -0.828697 -1.054682 -1.003789 -1.029299 -1.026311 -1.073469 -1.027115 -1.073641 -0.689378 -0.631088 -1.011761 -1.032953 -1.067953 -1.071591 -0.943427 -1.060734 -1.079787 -0.958670 -1.081307 -0.929664 -0.934647 -0.928106 -1.066528 -1.082867 0.028708 0.041431 0.022392 1.836453 1.733229 1.843641 1.835207 1.905260 1.829232 1.929031 1.929789 1.943587 1.835605 1.831769 1.939920 -0.707304 -0.671405 -0.708000 -0.718159 -0.777173 -0.764939 -0.748000 -0.818842 -0.846105 -0.837056 -0.754059 -0.820070 -0.771921 -0.767289 -0.820875 -0.722571 -0.885369 -0.843628 -0.865797 -0.868950 -0.922476 -0.850229 -0.919296 -0.873756 -0.889358 -0.866796 -0.874670 -0.918540 -1.024272 -0.860969 -1.009315 -1.034938 -0.888489 -1.037373 -0.854971 -0.848333 -0.842627 -1.017573 -1.042458 0.327408 0.294455 0.279363 1.960266 1.669733 1.961076 1.962131 2.017575 1.956267 2.039686 2.056024 2.074911 1.960516 1.965926 2.046812 -0.781058 -0.771379 -0.783408 -0.798203 -0.848186 -0.850002 -0.825089 -0.910350 -0.859945 -0.925550 -0.831398 -0.914728 -0.866080 -0.866006 -0.907941 -0.804345 -0.934299 -0.900946 -0.906041 -0.897648 -0.958656 -0.894998 -0.959448 -0.907934 -0.913325 -0.886780 -0.907560 -0.957793 -0.996043 -0.837225 -0.985667 -1.005738 -0.854470 -1.009834 -0.821855 -0.828431 -0.837891 -0.989470 -1.011992 0.438009 0.313855 0.324925 -5.61442359 -10.13955309 -16.04209441 19.79093434 -10.72728865 -19.01918316 -5.67741785 16.31692534 31.75252681 -5.58963669 -362.4747 422.3367 17.9800 -438.4848 -118.4080 -479.0507 Jun20-2024 15:00:55 Nodes: 1 Procs: 1 Jun20-2024 15:01:06 Nodes: 1 Procs: 1 0 Jun20-2024 15:01:09 Nodes: 1 Procs: 1 Jun20-2024 15:01:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 15:01:14 Nodes: 1 Procs: 1 Jun20-2024 15:01:17 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 15:01:22 Nodes: 1 Procs: 1 Jun20-2024 15:01:24 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 15:01:27 Nodes: 1 Procs: 1 Jun20-2024 15:01:30 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 15:01:36 Nodes: 1 Procs: 5 *** (NO TITLE) *** -10 -17.19231300 -17.43701160 -17.43825632 -17.35201620 -17.48229936 -17.55853477 -17.57723737 -17.58367387 -17.59253825 -17.59710776 -17.59944909 -17.59923101 -17.60313631 -17.60358328 -17.60405942 -17.60439979 -17.60459263 -17.60469401 -17.60474311 -17.60477979 -17.60479039 GEOMETRY CONVERGED