ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:19:34 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 0.04 1.72 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 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:19:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.47 0.07 1.86 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 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 Jun20-2024 07:19:38 Nodes: 1 Procs: 1 Jun20-2024 07:19:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:19:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.07 3.32 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 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 Jun20-2024 07:19:38 Nodes: 1 Procs: 1 Jun20-2024 07:19:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:19:43 Nodes: 1 Procs: 1 Jun20-2024 07:19:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:19:49 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.04 1.41 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 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 Jun20-2024 07:19:38 Nodes: 1 Procs: 1 Jun20-2024 07:19:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:19:43 Nodes: 1 Procs: 1 Jun20-2024 07:19:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:19:49 Nodes: 1 Procs: 1 Jun20-2024 07:19:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:19:52 Hydrogen (TZP) c2-19 c2-19 c2-19 c2-19 c2-19 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.06 3.13 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 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 Jun20-2024 07:19:38 Nodes: 1 Procs: 1 Jun20-2024 07:19:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:19:43 Nodes: 1 Procs: 1 Jun20-2024 07:19:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:19:49 Nodes: 1 Procs: 1 Jun20-2024 07:19:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 07:19:52 Nodes: 1 Procs: 1 Jun20-2024 07:19:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:19:59 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2906.5171000000064 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3.792013 0.208549 -3.947681 3.797627 -0.179324 -3.842445 -3.832006 0.229358 -3.803067 0.203814 -3.801475 -3.742477 -0.231395 3.820228 3.823309 0.227497 3.827758 3.829570 -0.227820 -3.722922 -0.011708 -0.022745 -0.031755 -3.971923 4.338357 -0.991605 1 3 -3 0.106833 -2.559418 2.567397 Rho 0.4361414E+07 3,-3 2 3 -3 -0.112001 2.571116 2.569527 Rho 0.4361414E+07 3,-3 3 3 -3 2.575839 -2.555801 0.111037 Rho 0.4361414E+07 3,-3 4 3 -3 2.554102 2.574531 -0.115806 Rho 0.4361414E+07 3,-3 5 3 -3 -2.573383 -0.154560 -2.612958 Rho 0.4361415E+07 3,-3 6 3 -3 -2.581665 0.086416 2.557278 Rho 0.4361414E+07 3,-3 7 3 -3 2.553554 0.097845 -2.575805 Rho 0.4361414E+07 3,-3 8 3 -3 -0.121363 -2.630649 -2.580625 Rho 0.3882646E+07 3,-3 9 3 -3 0.098413 2.567691 -2.613357 Rho 0.3882646E+07 3,-3 10 3 -3 -2.529558 2.502530 0.080640 Rho 0.3882646E+07 3,-3 11 3 -3 -2.581919 -2.622133 -0.141517 Rho 0.3882646E+07 3,-3 12 3 -3 2.582251 -0.100612 2.586931 Rho 0.3882646E+07 3,-3 13 3 -3 0.961536 -0.979608 0.981567 Rho 0.3190233E+03 3,-3 14 3 -3 -0.991027 -1.003880 -1.008405 Rho 0.3190156E+03 3,-3 15 3 -3 0.975064 0.973128 -0.994526 Rho 0.3190237E+03 3,-3 16 3 -3 -1.003934 0.987589 0.935505 Rho 0.3189941E+03 3,-3 17 3 -3 -3.034447 -1.155092 1.222939 Rho 0.3188750E+03 3,-3 18 3 -3 3.037532 -1.139341 -1.125937 Rho 0.3188540E+03 3,-3 19 3 -3 -3.030522 1.098943 -1.168283 Rho 0.3188602E+03 3,-3 20 3 -3 3.020041 1.218345 1.142689 Rho 0.3188559E+03 3,-3 21 3 -3 1.226651 -1.151894 -3.034152 Rho 0.3188733E+03 3,-3 22 3 -3 1.134959 1.218442 3.041825 Rho 0.3188606E+03 3,-3 23 3 -3 -1.206322 1.122195 -3.056135 Rho 0.3188408E+03 3,-3 24 3 -3 -1.136941 -1.144583 3.040590 Rho 0.3188541E+03 3,-3 25 3 -3 -1.223495 3.076489 -1.183129 Rho 0.3188750E+03 3,-3 26 3 -3 -1.133710 -3.028725 1.205925 Rho 0.3188590E+03 3,-3 27 3 -3 1.136993 3.045015 1.153626 Rho 0.3188492E+03 3,-3 28 3 -3 1.217454 -3.033988 -1.135728 Rho 0.3188547E+03 3,-3 29 3 -3 3.455748 -1.548707 1.502776 Rho 0.3189135E+03 3,-3 30 3 -3 -3.466421 -1.517876 -1.571159 Rho 0.3189045E+03 3,-3 31 3 -3 3.425173 1.526286 -1.499810 Rho 0.3189290E+03 3,-3 32 3 -3 -3.449788 1.491664 1.579620 Rho 0.3189337E+03 3,-3 33 3 -3 1.495065 -1.551361 3.456488 Rho 0.3189141E+03 3,-3 34 3 -3 1.594505 1.493293 -3.465798 Rho 0.3189161E+03 3,-3 35 3 -3 -1.502553 1.510564 3.421258 Rho 0.3189258E+03 3,-3 36 3 -3 -1.558238 -1.523752 -3.489151 Rho 0.3189093E+03 3,-3 37 3 -3 -1.534505 -3.537277 -1.545252 Rho 0.3188711E+03 3,-3 38 3 -3 -1.518676 3.423633 1.546070 Rho 0.3189272E+03 3,-3 39 3 -3 1.533152 -3.424023 1.530512 Rho 0.3189228E+03 3,-3 40 3 -3 1.539917 3.446056 -1.501606 Rho 0.3189151E+03 3,-3 41 3 -3 -0.214240 -3.778949 3.775597 Rho 0.3192719E+03 3,-3 42 3 -3 0.254586 -3.839365 -3.840303 Rho 0.3191380E+03 3,-3 43 3 -3 -0.202152 3.795814 -3.870799 Rho 0.3191479E+03 3,-3 44 3 -3 0.192516 3.793231 3.776546 Rho 0.3192790E+03 3,-3 45 3 -3 3.788580 -3.770561 -0.208615 Rho 0.3192731E+03 3,-3 46 3 -3 3.762917 3.792013 0.208549 Rho 0.3192726E+03 3,-3 47 3 -3 -3.947681 3.797627 -0.179324 Rho 0.3186266E+03 3,-3 48 3 -3 -3.842445 -3.832006 0.229358 Rho 0.3191363E+03 3,-3 49 3 -3 -3.803067 0.203814 -3.801475 Rho 0.3192642E+03 3,-3 50 3 -3 -3.742477 -0.231395 3.820228 Rho 0.3192799E+03 3,-3 51 3 -3 3.823309 0.227497 3.827758 Rho 0.3191398E+03 3,-3 52 3 -3 3.829570 -0.227820 -3.722922 Rho 0.3192726E+03 3,-3 53 3 -3 -0.011708 -0.022745 -0.031755 Rho 0.4276083E+05 3,-3 54 3 -3 -3.971923 4.338357 -0.991605 Rho 0.4634654E+00 3,-3 55 3 +1 2.953292 -0.152823 0.200792 Rho 0.5409883E-02 |GRAD(Rho)| 0.6186511E-16 GRAD(Rho)x 0.3739255E-17 GRAD(Rho)y -0.4696854E-16 GRAD(Rho)z 0.4009072E-16 Laplacian 0.2174126E-01 (-1/4)Del**2(Rho)) -0.5435316E-02 Diamond 0.5196412E-03 Metallicity 0.5284146E+00 Ellipticity -0.2473482E+01 Gb(Abramov) 0.4102227E-02 Vb(Abramov) -0.2769139E-02 Hb(Abramov) 0.1333089E-02 Ex_ueg -0.7014051E-03 Ec_ueg -0.1645942E-03 Delta_ex -0.1060804E-02 Delta_ec 0.6189012E-03 Delta_et -0.3467881E-02 Pxc 0.4261421E+01 Qxc -0.1714011E+01 3,+1 56 3 +1 -2.200515 1.171380 1.277096 Rho 0.2834778E-01 |GRAD(Rho)| 0.1667056E-12 GRAD(Rho)x 0.1287475E-13 GRAD(Rho)y -0.1371627E-12 GRAD(Rho)z 0.9386897E-13 Laplacian 0.1107653E+00 (-1/4)Del**2(Rho)) -0.2769132E-01 Diamond 0.1837848E-01 Metallicity 0.1639612E+01 Ellipticity -0.1097065E+02 Gb(Abramov) 0.2602805E-01 Vb(Abramov) -0.2436478E-01 Hb(Abramov) 0.1663269E-02 Ex_ueg -0.6383767E-02 Ec_ueg -0.1258703E-02 Delta_ex -0.7231120E-02 Delta_ec 0.2068843E-02 Delta_et -0.1880014E-01 Pxc 0.5071704E+01 Qxc -0.3495249E+01 3,+1 57 3 +1 -1.674075 0.492094 -0.574086 Rho 0.9116118E-02 |GRAD(Rho)| 0.9061857E-17 GRAD(Rho)x -0.7511951E-17 GRAD(Rho)y 0.4252853E-17 GRAD(Rho)z -0.2757006E-17 Laplacian 0.3527489E-01 (-1/4)Del**2(Rho)) -0.8818721E-02 Diamond 0.9960602E-03 Metallicity 0.7771368E+00 Ellipticity -0.1449898E+01 Gb(Abramov) 0.7021373E-02 Vb(Abramov) -0.5224025E-02 Hb(Abramov) 0.1797348E-02 Ex_ueg -0.1406474E-02 Ec_ueg -0.3281314E-03 Delta_ex -0.1624664E-02 Delta_ec 0.4770105E-03 Delta_et -0.3324915E-02 Pxc 0.4286313E+01 Qxc -0.3405930E+01 3,+1 58 3 +1 -2.196473 -1.434373 -1.086580 Rho 0.2631655E-01 |GRAD(Rho)| 0.2965370E-15 GRAD(Rho)x 0.2711107E-15 GRAD(Rho)y 0.8635290E-16 GRAD(Rho)z 0.8352463E-16 Laplacian 0.1018005E+00 (-1/4)Del**2(Rho)) -0.2545014E-01 Diamond 0.1330389E-01 Metallicity 0.1576079E+01 Ellipticity -0.2949384E+01 Gb(Abramov) 0.2365200E-01 Vb(Abramov) -0.2185386E-01 Hb(Abramov) 0.1798140E-02 Ex_ueg -0.5781276E-02 Ec_ueg -0.1155226E-02 Delta_ex -0.6319033E-02 Delta_ec 0.1549038E-02 Delta_et -0.1388039E-01 Pxc 0.5004453E+01 Qxc -0.4079327E+01 3,+1 59 3 -1 -3.267713 3.196763 -0.083967 Rho 0.1428998E+00 |GRAD(Rho)| 0.9307935E-14 GRAD(Rho)x 0.4435525E-14 GRAD(Rho)y -0.5222412E-14 GRAD(Rho)z 0.6300014E-14 Laplacian 0.5719856E+00 (-1/4)Del**2(Rho)) -0.1429964E+00 Diamond 0.1137963E+01 Metallicity 0.4705591E+01 Ellipticity 0.1138533E+00 Gb(Abramov) 0.2074780E+00 Vb(Abramov) -0.2719596E+00 Hb(Abramov) -0.6448162E-01 Ex_ueg -0.5517732E-01 Ec_ueg -0.7990560E-02 Delta_ex -0.6117238E-01 Delta_ec 0.1553001E-01 Delta_et -0.2071147E+00 Pxc 0.6905313E+01 Qxc -0.3938979E+01 3,-1 60 3 -1 -1.733448 1.708634 0.495377 Rho 0.5475108E-01 |GRAD(Rho)| 0.9773583E-16 GRAD(Rho)x 0.5903820E-16 GRAD(Rho)y -0.7622449E-16 GRAD(Rho)z 0.1601909E-16 Laplacian 0.2355102E+00 (-1/4)Del**2(Rho)) -0.5887756E-01 Diamond 0.1436576E+00 Metallicity 0.2309889E+01 Ellipticity 0.1880513E-01 Gb(Abramov) 0.6191848E-01 Vb(Abramov) -0.6495940E-01 Hb(Abramov) -0.3040918E-02 Ex_ueg -0.1535472E-01 Ec_ueg -0.2679131E-02 Delta_ex -0.2016316E-01 Delta_ec 0.7598154E-02 Delta_et -0.8224287E-01 Pxc 0.5731232E+01 Qxc -0.2653691E+01 3,-1 61 3 -1 -3.032441 -0.879690 -2.046793 Rho 0.1468689E+00 |GRAD(Rho)| 0.2120023E-15 GRAD(Rho)x 0.5633786E-16 GRAD(Rho)y 0.1694744E-15 GRAD(Rho)z -0.1142343E-15 Laplacian 0.5732417E+00 (-1/4)Del**2(Rho)) -0.1433104E+00 Diamond 0.1129788E+01 Metallicity 0.4914640E+01 Ellipticity 0.2389400E-01 Gb(Abramov) 0.2129268E+00 Vb(Abramov) -0.2825432E+00 Hb(Abramov) -0.6961637E-01 Ex_ueg -0.5723013E-01 Ec_ueg -0.8243379E-02 Delta_ex -0.6121389E-01 Delta_ec 0.1456902E-01 Delta_et -0.1932513E+00 Pxc 0.6942557E+01 Qxc -0.4201648E+01 3,-1 62 3 +1 -2.963410 -0.247567 -0.184131 Rho 0.5264359E-02 |GRAD(Rho)| 0.1350310E-16 GRAD(Rho)x 0.1332819E-17 GRAD(Rho)y -0.1095623E-16 GRAD(Rho)z 0.7779352E-17 Laplacian 0.2118540E-01 (-1/4)Del**2(Rho)) -0.5296349E-02 Diamond 0.4554987E-03 Metallicity 0.5181861E+00 Ellipticity -0.1950931E+01 Gb(Abramov) 0.3988315E-02 Vb(Abramov) -0.2680281E-02 Hb(Abramov) 0.1308034E-02 Ex_ueg -0.6763618E-03 Ec_ueg -0.1583069E-03 Delta_ex -0.9997434E-03 Delta_ec 0.5526019E-03 Delta_et -0.3093881E-02 Pxc 0.4272471E+01 Qxc -0.1809157E+01 3,+1 63 3 +1 -1.689614 -0.574867 0.518426 Rho 0.8214427E-02 |GRAD(Rho)| 0.1625601E-14 GRAD(Rho)x -0.3350922E-15 GRAD(Rho)y 0.1577734E-14 GRAD(Rho)z -0.2025989E-15 Laplacian 0.3123696E-01 (-1/4)Del**2(Rho)) -0.7809240E-02 Diamond 0.7991348E-03 Metallicity 0.7377454E+00 Ellipticity -0.1475851E+01 Gb(Abramov) 0.6166365E-02 Vb(Abramov) -0.4523490E-02 Hb(Abramov) 0.1642875E-02 Ex_ueg -0.1224113E-02 Ec_ueg -0.2877617E-03 Delta_ex -0.1417214E-02 Delta_ec 0.4513881E-03 Delta_et -0.3039244E-02 Pxc 0.4253912E+01 Qxc -0.3139678E+01 3,+1 64 3 -1 -1.997546 0.841053 2.997178 Rho 0.1286912E+00 |GRAD(Rho)| 0.4553186E-13 GRAD(Rho)x -0.3529190E-13 GRAD(Rho)y -0.1910093E-13 GRAD(Rho)z 0.2151248E-13 Laplacian 0.5098012E+00 (-1/4)Del**2(Rho)) -0.1274503E+00 Diamond 0.8564160E+00 Metallicity 0.4433978E+01 Ellipticity 0.3267063E-01 Gb(Abramov) 0.1791522E+00 Vb(Abramov) -0.2308540E+00 Hb(Abramov) -0.5170186E-01 Ex_ueg -0.4798623E-01 Ec_ueg -0.7093740E-02 Delta_ex -0.5270780E-01 Delta_ec 0.1336021E-01 Delta_et -0.1736427E+00 Pxc 0.6764589E+01 Qxc -0.3945133E+01 3,-1 65 3 +3 -2.342187 -0.080503 -0.020574 Rho 0.4588946E-02 |GRAD(Rho)| 0.4363670E-17 GRAD(Rho)x 0.2782694E-18 GRAD(Rho)y -0.3489538E-17 GRAD(Rho)z -0.2605246E-17 Laplacian 0.1864453E-01 (-1/4)Del**2(Rho)) -0.4661133E-02 Diamond 0.1616715E-03 Metallicity 0.4683637E+00 Ellipticity -0.3945803E+00 Gb(Abramov) 0.3471273E-02 Vb(Abramov) -0.2281413E-02 Hb(Abramov) 0.1189860E-02 Ex_ueg -0.5632082E-03 Ec_ueg -0.1292666E-03 Delta_ex -0.6768191E-03 Delta_ec 0.1674388E-03 Delta_et -0.1057305E-02 Pxc 0.4356952E+01 Qxc -0.4042187E+01 3,+3 66 3 +1 0.536923 -1.683351 -0.566495 Rho 0.8540449E-02 |GRAD(Rho)| 0.8997930E-11 GRAD(Rho)x -0.2550366E-11 GRAD(Rho)y -0.3259978E-11 GRAD(Rho)z -0.7989425E-11 Laplacian 0.3239674E-01 (-1/4)Del**2(Rho)) -0.8099185E-02 Diamond 0.8690578E-03 Metallicity 0.7590080E+00 Ellipticity -0.1489659E+01 Gb(Abramov) 0.6424014E-02 Vb(Abramov) -0.4748844E-02 Hb(Abramov) 0.1675171E-02 Ex_ueg -0.1289316E-02 Ec_ueg -0.3023164E-03 Delta_ex -0.1482071E-02 Delta_ec 0.4641980E-03 Delta_et -0.3160332E-02 Pxc 0.4264789E+01 Qxc -0.3192756E+01 3,+1 67 3 -1 -3.237791 0.038307 -3.255001 Rho 0.2375739E+00 |GRAD(Rho)| 0.1503738E-11 GRAD(Rho)x 0.1056074E-11 GRAD(Rho)y -0.3145756E-12 GRAD(Rho)z 0.1023219E-11 Laplacian 0.8691761E+00 (-1/4)Del**2(Rho)) -0.2172940E+00 Diamond 0.3033436E+01 Metallicity 0.7224981E+01 Ellipticity 0.2457901E-02 Gb(Abramov) 0.4065202E+00 Vb(Abramov) -0.5957464E+00 Hb(Abramov) -0.1892262E+00 Ex_ueg -0.1086718E+00 Ec_ueg -0.1427157E-01 Delta_ex -0.1047186E+00 Delta_ec 0.1922750E-01 Delta_et -0.2661030E+00 Pxc 0.7614565E+01 Qxc -0.5446290E+01 3,-1 68 3 +1 -0.536099 1.689659 -0.611592 Rho 0.8160354E-02 |GRAD(Rho)| 0.1625210E-14 GRAD(Rho)x -0.2485185E-15 GRAD(Rho)y 0.1358366E-14 GRAD(Rho)z -0.8569652E-15 Laplacian 0.3069399E-01 (-1/4)Del**2(Rho)) -0.7673498E-02 Diamond 0.7392901E-03 Metallicity 0.7425770E+00 Ellipticity -0.1427061E+01 Gb(Abramov) 0.6065359E-02 Vb(Abramov) -0.4457220E-02 Hb(Abramov) 0.1608139E-02 Ex_ueg -0.1213381E-02 Ec_ueg -0.2853523E-03 Delta_ex -0.1371464E-02 Delta_ec 0.4099584E-03 Delta_et -0.2782546E-02 Pxc 0.4252220E+01 Qxc -0.3345374E+01 3,+1 69 3 +3 -1.092953 1.123326 -1.163547 Rho 0.5147347E-02 |GRAD(Rho)| 0.6670789E-12 GRAD(Rho)x -0.6670283E-12 GRAD(Rho)y -0.7982144E-14 GRAD(Rho)z -0.1951654E-14 Laplacian 0.1920125E-01 (-1/4)Del**2(Rho)) -0.4800313E-02 Diamond 0.1345728E-03 Metallicity 0.5507097E+00 Ellipticity -0.2198965E+00 Gb(Abramov) 0.3640805E-02 Vb(Abramov) -0.2481297E-02 Hb(Abramov) 0.1159508E-02 Ex_ueg -0.6563916E-03 Ec_ueg -0.1532593E-03 Delta_ex -0.6643352E-03 Delta_ec 0.7667256E-04 Delta_et -0.6327917E-03 Pxc 0.4282884E+01 Qxc -0.8664577E+01 3,+3 70 3 -1 -2.809654 -0.576924 1.840134 Rho 0.1654069E+00 |GRAD(Rho)| 0.7185486E-14 GRAD(Rho)x -0.4923186E-14 GRAD(Rho)y 0.8570618E-16 GRAD(Rho)z -0.5233173E-14 Laplacian 0.6797849E+00 (-1/4)Del**2(Rho)) -0.1699462E+00 Diamond 0.1535142E+01 Metallicity 0.5052402E+01 Ellipticity 0.1029079E-01 Gb(Abramov) 0.2564036E+00 Vb(Abramov) -0.3428609E+00 Hb(Abramov) -0.8645736E-01 Ex_ueg -0.6705894E-01 Ec_ueg -0.9436967E-02 Delta_ex -0.7466674E-01 Delta_ec 0.1660785E-01 Delta_et -0.2233379E+00 Pxc 0.7105984E+01 Qxc -0.4495869E+01 3,-1 71 3 +1 -0.157111 -2.949294 -0.163907 Rho 0.5062636E-02 |GRAD(Rho)| 0.5058151E-16 GRAD(Rho)x -0.3959007E-16 GRAD(Rho)y -0.4353267E-17 GRAD(Rho)z -0.3117956E-16 Laplacian 0.1972241E-01 (-1/4)Del**2(Rho)) -0.4930601E-02 Diamond 0.4237569E-03 Metallicity 0.5215322E+00 Ellipticity -0.2430074E+01 Gb(Abramov) 0.3715646E-02 Vb(Abramov) -0.2500690E-02 Hb(Abramov) 0.1214956E-02 Ex_ueg -0.6420281E-03 Ec_ueg -0.1496093E-03 Delta_ex -0.9428153E-03 Delta_ec 0.5494071E-03 Delta_et -0.3023839E-02 Pxc 0.4291365E+01 Qxc -0.1716059E+01 3,+1 72 3 -1 -3.209118 -0.084682 3.239870 Rho 0.2393331E+00 |GRAD(Rho)| 0.1179164E-14 GRAD(Rho)x 0.8006291E-15 GRAD(Rho)y 0.4014259E-16 GRAD(Rho)z -0.8647597E-15 Laplacian 0.8721129E+00 (-1/4)Del**2(Rho)) -0.2180282E+00 Diamond 0.3075206E+01 Metallicity 0.7289737E+01 Ellipticity 0.2090286E-02 Gb(Abramov) 0.4102469E+00 Vb(Abramov) -0.6024655E+00 Hb(Abramov) -0.1922187E+00 Ex_ueg -0.1097460E+00 Ec_ueg -0.1439303E-01 Delta_ex -0.1052983E+00 Delta_ec 0.1929213E-01 Delta_et -0.2672504E+00 Pxc 0.7624944E+01 Qxc -0.5458097E+01 3,-1 73 3 -1 -1.758551 0.529359 1.712504 Rho 0.4261096E-01 |GRAD(Rho)| 0.1033305E-14 GRAD(Rho)x 0.2330503E-15 GRAD(Rho)y -0.5279158E-15 GRAD(Rho)z -0.8571535E-15 Laplacian 0.1708489E+00 (-1/4)Del**2(Rho)) -0.4271222E-01 Diamond 0.6871251E-01 Metallicity 0.2096701E+01 Ellipticity 0.1115268E-01 Gb(Abramov) 0.4340061E-01 Vb(Abramov) -0.4408900E-01 Hb(Abramov) -0.6883889E-03 Ex_ueg -0.1099209E-01 Ec_ueg -0.2010702E-02 Delta_ex -0.1345928E-01 Delta_ec 0.5003829E-02 Delta_et -0.5056615E-01 Pxc 0.5466791E+01 Qxc -0.2689797E+01 3,-1 74 3 -1 -2.802718 0.510214 -1.843115 Rho 0.1325687E+00 |GRAD(Rho)| 0.6975224E-14 GRAD(Rho)x 0.2008366E-14 GRAD(Rho)y -0.3838658E-14 GRAD(Rho)z -0.5466710E-14 Laplacian 0.5386124E+00 (-1/4)Del**2(Rho)) -0.1346531E+00 Diamond 0.9446560E+00 Metallicity 0.4409662E+01 Ellipticity 0.6349401E-02 Gb(Abramov) 0.1887312E+00 Vb(Abramov) -0.2428093E+00 Hb(Abramov) -0.5407807E-01 Ex_ueg -0.4992367E-01 Ec_ueg -0.7337183E-02 Delta_ex -0.5616924E-01 Delta_ec 0.1416162E-01 Delta_et -0.1852205E+00 Pxc 0.6804202E+01 Qxc -0.3966302E+01 3,-1 75 3 +1 -0.543403 0.535921 -1.699334 Rho 0.8482573E-02 |GRAD(Rho)| 0.2415029E-15 GRAD(Rho)x 0.1967716E-15 GRAD(Rho)y 0.3534625E-17 GRAD(Rho)z 0.1399718E-15 Laplacian 0.3214766E-01 (-1/4)Del**2(Rho)) -0.8036916E-02 Diamond 0.8476110E-03 Metallicity 0.7562693E+00 Ellipticity -0.1478161E+01 Gb(Abramov) 0.6370956E-02 Vb(Abramov) -0.4704996E-02 Hb(Abramov) 0.1665960E-02 Ex_ueg -0.1277679E-02 Ec_ueg -0.2997292E-03 Delta_ex -0.1465030E-02 Delta_ec 0.4550463E-03 Delta_et -0.3097058E-02 Pxc 0.4262779E+01 Qxc -0.3219519E+01 3,+1 76 3 -1 -3.031494 0.835972 2.029353 Rho 0.1521790E+00 |GRAD(Rho)| 0.4890296E-13 GRAD(Rho)x -0.3438265E-13 GRAD(Rho)y -0.8450001E-15 GRAD(Rho)z -0.3476519E-13 Laplacian 0.5935988E+00 (-1/4)Del**2(Rho)) -0.1483997E+00 Diamond 0.1221171E+01 Metallicity 0.5035524E+01 Ellipticity 0.3646473E-01 Gb(Abramov) 0.2234782E+00 Vb(Abramov) -0.2985567E+00 Hb(Abramov) -0.7507848E-01 Ex_ueg -0.6000554E-01 Ec_ueg -0.8583147E-02 Delta_ex -0.6394640E-01 Delta_ec 0.1495857E-01 Delta_et -0.1994103E+00 Pxc 0.6991089E+01 Qxc -0.4274901E+01 3,-1 77 3 +1 -0.567256 -1.683922 0.515651 Rho 0.8546856E-02 |GRAD(Rho)| 0.1759261E-16 GRAD(Rho)x -0.9429177E-17 GRAD(Rho)y -0.1369274E-16 GRAD(Rho)z 0.5753193E-17 Laplacian 0.3268000E-01 (-1/4)Del**2(Rho)) -0.8169999E-02 Diamond 0.8769585E-03 Metallicity 0.7533702E+00 Ellipticity -0.1479694E+01 Gb(Abramov) 0.6472505E-02 Vb(Abramov) -0.4775011E-02 Hb(Abramov) 0.1697494E-02 Ex_ueg -0.1290606E-02 Ec_ueg -0.3026029E-03 Delta_ex -0.1495042E-02 Delta_ec 0.4677749E-03 Delta_et -0.3185686E-02 Pxc 0.4265014E+01 Qxc -0.3196072E+01 3,+1 78 3 +1 -1.771814 1.752161 -1.783374 Rho 0.1178122E-01 |GRAD(Rho)| 0.2194556E-16 GRAD(Rho)x -0.4520107E-17 GRAD(Rho)y 0.1104371E-16 GRAD(Rho)z 0.1841773E-16 Laplacian 0.5558290E-01 (-1/4)Del**2(Rho)) -0.1389573E-01 Diamond 0.2062914E-02 Metallicity 0.7562337E+00 Ellipticity -0.1257377E+01 Gb(Abramov) 0.1101522E-01 Vb(Abramov) -0.8134714E-02 Hb(Abramov) 0.2880506E-02 Ex_ueg -0.1979880E-02 Ec_ueg -0.4494790E-03 Delta_ex -0.2686701E-02 Delta_ec 0.6639296E-03 Delta_et -0.5000636E-02 Pxc 0.4404834E+01 Qxc -0.4046665E+01 3,+1 79 3 -1 -0.851626 1.996804 3.004748 Rho 0.1425535E+00 |GRAD(Rho)| 0.3575474E-09 GRAD(Rho)x 0.2560705E-09 GRAD(Rho)y 0.1989323E-09 GRAD(Rho)z -0.1506452E-09 Laplacian 0.5538596E+00 (-1/4)Del**2(Rho)) -0.1384649E+00 Diamond 0.1057797E+01 Metallicity 0.4839975E+01 Ellipticity 0.3401539E-01 Gb(Abramov) 0.2040044E+00 Vb(Abramov) -0.2695439E+00 Hb(Abramov) -0.6553948E-01 Ex_ueg -0.5499908E-01 Ec_ueg -0.7968546E-02 Delta_ex -0.5876317E-01 Delta_ec 0.1426813E-01 Delta_et -0.1886360E+00 Pxc 0.6902022E+01 Qxc -0.4118491E+01 3,-1 80 3 -1 -2.782149 1.752175 -0.585986 Rho 0.1378602E+00 |GRAD(Rho)| 0.5082010E-14 GRAD(Rho)x -0.2051446E-15 GRAD(Rho)y 0.4204400E-14 GRAD(Rho)z 0.2847413E-14 Laplacian 0.5880192E+00 (-1/4)Del**2(Rho)) -0.1470048E+00 Diamond 0.1094643E+01 Metallicity 0.4311416E+01 Ellipticity 0.1611816E-01 Gb(Abramov) 0.2036363E+00 Vb(Abramov) -0.2602679E+00 Hb(Abramov) -0.5663154E-01 Ex_ueg -0.5259813E-01 Ec_ueg -0.7670981E-02 Delta_ex -0.6205797E-01 Delta_ec 0.1558798E-01 Delta_et -0.2056877E+00 Pxc 0.6856767E+01 Qxc -0.3981142E+01 3,-1 81 3 -1 -3.005220 1.960012 0.873608 Rho 0.1142460E+00 |GRAD(Rho)| 0.1919822E-15 GRAD(Rho)x -0.3691031E-16 GRAD(Rho)y -0.1466722E-15 GRAD(Rho)z 0.1182458E-15 Laplacian 0.4724100E+00 (-1/4)Del**2(Rho)) -0.1181025E+00 Diamond 0.7038955E+00 Metallicity 0.3923700E+01 Ellipticity 0.1840371E-01 Gb(Abramov) 0.1559681E+00 Vb(Abramov) -0.1938338E+00 Hb(Abramov) -0.3786563E-01 Ex_ueg -0.4094238E-01 Ec_ueg -0.6195826E-02 Delta_ex -0.4770244E-01 Delta_ec 0.1314393E-01 Delta_et -0.1680064E+00 Pxc 0.6608059E+01 Qxc -0.3629238E+01 3,-1 82 3 -1 -1.745799 -1.773125 -0.560897 Rho 0.4200218E-01 |GRAD(Rho)| 0.1805982E-15 GRAD(Rho)x -0.1048140E-15 GRAD(Rho)y -0.1346626E-15 GRAD(Rho)z 0.5912459E-16 Laplacian 0.1811934E+00 (-1/4)Del**2(Rho)) -0.4529836E-01 Diamond 0.7772127E-01 Metallicity 0.1930147E+01 Ellipticity 0.1562359E-01 Gb(Abramov) 0.4477099E-01 Vb(Abramov) -0.4424362E-01 Hb(Abramov) 0.5273690E-03 Ex_ueg -0.1078320E-01 Ec_ueg -0.1977804E-02 Delta_ex -0.1456345E-01 Delta_ec 0.5915135E-02 Delta_et -0.5963860E-01 Pxc 0.5452107E+01 Qxc -0.2462066E+01 3,-1 83 3 -1 -2.017222 -3.095588 -0.885579 Rho 0.1302893E+00 |GRAD(Rho)| 0.9745478E-14 GRAD(Rho)x -0.2527953E-14 GRAD(Rho)y 0.6627389E-14 GRAD(Rho)z 0.6682927E-14 Laplacian 0.5266715E+00 (-1/4)Del**2(Rho)) -0.1316679E+00 Diamond 0.9212283E+00 Metallicity 0.4381149E+01 Ellipticity 0.7613620E-02 Gb(Abramov) 0.1839213E+00 Vb(Abramov) -0.2361748E+00 Hb(Abramov) -0.5225346E-01 Ex_ueg -0.4878243E-01 Ec_ueg -0.7193955E-02 Delta_ex -0.5489384E-01 Delta_ec 0.1426066E-01 Delta_et -0.1866543E+00 Pxc 0.6781031E+01 Qxc -0.3849321E+01 3,-1 84 3 -1 -1.812832 -2.826094 0.571231 Rho 0.1129215E+00 |GRAD(Rho)| 0.2363289E-12 GRAD(Rho)x -0.1759400E-12 GRAD(Rho)y 0.3412263E-13 GRAD(Rho)z -0.1540524E-12 Laplacian 0.4875202E+00 (-1/4)Del**2(Rho)) -0.1218800E+00 Diamond 0.7278352E+00 Metallicity 0.3728906E+01 Ellipticity 0.2456651E-01 Gb(Abramov) 0.1569999E+00 Vb(Abramov) -0.1921197E+00 Hb(Abramov) -0.3511985E-01 Ex_ueg -0.4031070E-01 Ec_ueg -0.6114226E-02 Delta_ex -0.4926134E-01 Delta_ec 0.1390020E-01 Delta_et -0.1777226E+00 Pxc 0.6592936E+01 Qxc -0.3543930E+01 3,-1 85 3 +3 0.006815 2.356275 -0.061682 Rho 0.4340170E-02 |GRAD(Rho)| 0.7221785E-11 GRAD(Rho)x 0.4531473E-11 GRAD(Rho)y 0.2810768E-11 GRAD(Rho)z 0.4870268E-11 Laplacian 0.1750862E-01 (-1/4)Del**2(Rho)) -0.4377154E-02 Diamond 0.1401459E-03 Metallicity 0.4545056E+00 Ellipticity -0.3215097E+00 Gb(Abramov) 0.3249677E-02 Vb(Abramov) -0.2122199E-02 Hb(Abramov) 0.1127478E-02 Ex_ueg -0.5228704E-03 Ec_ueg -0.1186291E-03 Delta_ex -0.6258946E-03 Delta_ec 0.1560080E-03 Delta_et -0.9738799E-03 Pxc 0.4407607E+01 Qxc -0.4011938E+01 3,+3 86 3 +3 -1.132364 -1.115603 1.108602 Rho 0.4997679E-02 |GRAD(Rho)| 0.2903636E-17 GRAD(Rho)x -0.2195217E-17 GRAD(Rho)y 0.1748370E-17 GRAD(Rho)z -0.7452021E-18 Laplacian 0.1909927E-01 (-1/4)Del**2(Rho)) -0.4774817E-02 Diamond 0.1336592E-03 Metallicity 0.5270806E+00 Ellipticity -0.1722558E+00 Gb(Abramov) 0.3602663E-02 Vb(Abramov) -0.2430510E-02 Hb(Abramov) 0.1172153E-02 Ex_ueg -0.6310680E-03 Ec_ueg -0.1468129E-03 Delta_ex -0.6601228E-03 Delta_ec 0.8474363E-04 Delta_et -0.6690691E-03 Pxc 0.4298451E+01 Qxc -0.7789644E+01 3,+3 87 3 -1 -1.827736 2.797318 -0.593788 Rho 0.1529631E+00 |GRAD(Rho)| 0.2015963E-15 GRAD(Rho)x -0.2000624E-15 GRAD(Rho)y -0.2473336E-16 GRAD(Rho)z -0.2087089E-17 Laplacian 0.6481102E+00 (-1/4)Del**2(Rho)) -0.1620275E+00 Diamond 0.1364174E+01 Metallicity 0.4651667E+01 Ellipticity 0.2001848E-01 Gb(Abramov) 0.2336347E+00 Vb(Abramov) -0.3052419E+00 Hb(Abramov) -0.7160719E-01 Ex_ueg -0.6041811E-01 Ec_ueg -0.8633462E-02 Delta_ex -0.7012662E-01 Delta_ec 0.1670296E-01 Delta_et -0.2237519E+00 Pxc 0.6998133E+01 Qxc -0.4198456E+01 3,-1 88 3 +1 -1.290786 -2.237937 -1.208492 Rho 0.2529148E-01 |GRAD(Rho)| 0.9927214E-17 GRAD(Rho)x 0.6846484E-17 GRAD(Rho)y 0.7170164E-17 GRAD(Rho)z 0.5137904E-18 Laplacian 0.9495167E-01 (-1/4)Del**2(Rho)) -0.2373792E-01 Diamond 0.1360399E-01 Metallicity 0.1581495E+01 Ellipticity -0.1583867E+02 Gb(Abramov) 0.2208218E-01 Vb(Abramov) -0.2042644E-01 Hb(Abramov) 0.1655741E-02 Ex_ueg -0.5482990E-02 Ec_ueg -0.1103401E-02 Delta_ex -0.6029198E-02 Delta_ec 0.1799439E-02 Delta_et -0.1588695E-01 Pxc 0.4969172E+01 Qxc -0.3350599E+01 3,+1 89 3 +1 -1.756187 -1.763768 1.781977 Rho 0.1194130E-01 |GRAD(Rho)| 0.1287073E-16 GRAD(Rho)x 0.9721378E-17 GRAD(Rho)y 0.4727518E-17 GRAD(Rho)z 0.6985778E-17 Laplacian 0.5861620E-01 (-1/4)Del**2(Rho)) -0.1465405E-01 Diamond 0.2289844E-02 Metallicity 0.7334127E+00 Ellipticity -0.1257516E+01 Gb(Abramov) 0.1156061E-01 Vb(Abramov) -0.8467171E-02 Hb(Abramov) 0.3093439E-02 Ex_ueg -0.2015831E-02 Ec_ueg -0.4568600E-03 Delta_ex -0.2864962E-02 Delta_ec 0.7384152E-03 Delta_et -0.5547521E-02 Pxc 0.4412359E+01 Qxc -0.3879880E+01 3,+1 90 3 -1 -1.985645 2.977365 0.857680 Rho 0.1220053E+00 |GRAD(Rho)| 0.1892446E-13 GRAD(Rho)x -0.1051798E-13 GRAD(Rho)y -0.7947832E-14 GRAD(Rho)z -0.1357715E-13 Laplacian 0.4920319E+00 (-1/4)Del**2(Rho)) -0.1230080E+00 Diamond 0.7961436E+00 Metallicity 0.4203242E+01 Ellipticity 0.1720786E-01 Gb(Abramov) 0.1681774E+00 Vb(Abramov) -0.2133468E+00 Hb(Abramov) -0.4516939E-01 Ex_ueg -0.4469134E-01 Ec_ueg -0.6676353E-02 Delta_ex -0.5049750E-01 Delta_ec 0.1354854E-01 Delta_et -0.1753616E+00 Pxc 0.6693975E+01 Qxc -0.3727154E+01 3,-1 91 3 -1 -2.022042 -0.884735 -3.063784 Rho 0.1535514E+00 |GRAD(Rho)| 0.2991278E-14 GRAD(Rho)x -0.1827951E-14 GRAD(Rho)y 0.2084216E-14 GRAD(Rho)z 0.1123559E-14 Laplacian 0.5954124E+00 (-1/4)Del**2(Rho)) -0.1488531E+00 Diamond 0.1240556E+01 Metallicity 0.5095867E+01 Ellipticity 0.2830515E-01 Gb(Abramov) 0.2256580E+00 Vb(Abramov) -0.3024629E+00 Hb(Abramov) -0.7680489E-01 Ex_ueg -0.6072813E-01 Ec_ueg -0.8671238E-02 Delta_ex -0.6430687E-01 Delta_ec 0.1501156E-01 Delta_et -0.2004575E+00 Pxc 0.7003398E+01 Qxc -0.4283823E+01 3,-1 92 3 -1 -1.746599 -0.568966 -1.774411 Rho 0.4493164E-01 |GRAD(Rho)| 0.6988817E-16 GRAD(Rho)x -0.5748559E-16 GRAD(Rho)y 0.3920090E-16 GRAD(Rho)z -0.6561541E-17 Laplacian 0.1832462E+00 (-1/4)Del**2(Rho)) -0.4581155E-01 Diamond 0.7959647E-01 Metallicity 0.2135495E+01 Ellipticity 0.1527418E-01 Gb(Abramov) 0.4684609E-01 Vb(Abramov) -0.4788063E-01 Hb(Abramov) -0.1034541E-02 Ex_ueg -0.1179745E-01 Ec_ueg -0.2136691E-02 Delta_ex -0.1464804E-01 Delta_ec 0.5399210E-02 Delta_et -0.5534105E-01 Pxc 0.5521365E+01 Qxc -0.2712997E+01 3,-1 93 3 -1 -1.810617 -0.568479 2.797668 Rho 0.1337823E+00 |GRAD(Rho)| 0.1935748E-15 GRAD(Rho)x 0.8962286E-16 GRAD(Rho)y 0.1670349E-15 GRAD(Rho)z -0.3922101E-16 Laplacian 0.5597344E+00 (-1/4)Del**2(Rho)) -0.1399336E+00 Diamond 0.9850840E+00 Metallicity 0.4308198E+01 Ellipticity 0.9726093E-02 Gb(Abramov) 0.1937660E+00 Vb(Abramov) -0.2475984E+00 Hb(Abramov) -0.5383241E-01 Ex_ueg -0.5053396E-01 Ec_ueg -0.7413578E-02 Delta_ex -0.5841445E-01 Delta_ec 0.1453104E-01 Delta_et -0.1900313E+00 Pxc 0.6816407E+01 Qxc -0.4019978E+01 3,-1 94 3 +1 -0.144527 -0.182308 -2.953490 Rho 0.4991995E-02 |GRAD(Rho)| 0.6606902E-16 GRAD(Rho)x -0.4959328E-16 GRAD(Rho)y -0.4153069E-16 GRAD(Rho)z 0.1344705E-16 Laplacian 0.1979094E-01 (-1/4)Del**2(Rho)) -0.4947734E-02 Diamond 0.4349752E-03 Metallicity 0.5076960E+00 Ellipticity -0.2692543E+01 Gb(Abramov) 0.3717147E-02 Vb(Abramov) -0.2486560E-02 Hb(Abramov) 0.1230587E-02 Ex_ueg -0.6301113E-03 Ec_ueg -0.1465683E-03 Delta_ex -0.9598987E-03 Delta_ec 0.5807393E-03 Delta_et -0.3169555E-02 Pxc 0.4299096E+01 Qxc -0.1652891E+01 3,+1 95 3 +3 -0.003635 -0.026208 -2.373965 Rho 0.4404836E-02 |GRAD(Rho)| 0.3641652E-16 GRAD(Rho)x 0.1861517E-16 GRAD(Rho)y 0.2320357E-16 GRAD(Rho)z -0.2100555E-16 Laplacian 0.1762679E-01 (-1/4)Del**2(Rho)) -0.4406697E-02 Diamond 0.1498034E-03 Metallicity 0.4627250E+00 Ellipticity -0.2941800E+00 Gb(Abramov) 0.3277646E-02 Vb(Abramov) -0.2148595E-02 Hb(Abramov) 0.1129051E-02 Ex_ueg -0.5332834E-03 Ec_ueg -0.1213911E-03 Delta_ex -0.6389400E-03 Delta_ec 0.1685477E-03 Delta_et -0.1039267E-02 Pxc 0.4393102E+01 Qxc -0.3790855E+01 3,+3 96 3 +1 1.750238 1.787746 1.765378 Rho 0.1199085E-01 |GRAD(Rho)| 0.4690261E-15 GRAD(Rho)x 0.2169193E-15 GRAD(Rho)y -0.3748337E-15 GRAD(Rho)z 0.1800866E-15 Laplacian 0.5871193E-01 (-1/4)Del**2(Rho)) -0.1467798E-01 Diamond 0.2290959E-02 Metallicity 0.7372875E+00 Ellipticity -0.1250158E+01 Gb(Abramov) 0.1158897E-01 Vb(Abramov) -0.8499959E-02 Hb(Abramov) 0.3089012E-02 Ex_ueg -0.2026991E-02 Ec_ueg -0.4591467E-03 Delta_ex -0.2868251E-02 Delta_ec 0.7315164E-03 Delta_et -0.5507628E-02 Pxc 0.4414691E+01 Qxc -0.3920966E+01 3,+1 97 3 -1 -1.841524 0.525274 -2.834952 Rho 0.1476368E+00 |GRAD(Rho)| 0.1847607E-15 GRAD(Rho)x -0.1188015E-15 GRAD(Rho)y -0.1257810E-15 GRAD(Rho)z -0.6482174E-16 Laplacian 0.6101440E+00 (-1/4)Del**2(Rho)) -0.1525360E+00 Diamond 0.1207225E+01 Metallicity 0.4657703E+01 Ellipticity 0.1292512E-01 Gb(Abramov) 0.2201019E+00 Vb(Abramov) -0.2876678E+00 Hb(Abramov) -0.6756590E-01 Ex_ueg -0.5762945E-01 Ec_ueg -0.8292406E-02 Delta_ex -0.6520896E-01 Delta_ec 0.1543515E-01 Delta_et -0.2047740E+00 Pxc 0.6949666E+01 Qxc -0.4224706E+01 3,-1 98 3 -1 -0.542438 -1.777118 -1.753880 Rho 0.4258504E-01 |GRAD(Rho)| 0.2176121E-15 GRAD(Rho)x 0.4058664E-16 GRAD(Rho)y -0.1835762E-15 GRAD(Rho)z -0.1095790E-15 Laplacian 0.1836977E+00 (-1/4)Del**2(Rho)) -0.4592443E-01 Diamond 0.8032027E-01 Metallicity 0.1948070E+01 Ellipticity 0.1608849E-01 Gb(Abramov) 0.4552696E-01 Vb(Abramov) -0.4512948E-01 Hb(Abramov) 0.3974780E-03 Ex_ueg -0.1098317E-01 Ec_ueg -0.2009300E-02 Delta_ex -0.1481638E-01 Delta_ec 0.5999848E-02 Delta_et -0.6072154E-01 Pxc 0.5466169E+01 Qxc -0.2469460E+01 3,-1 99 3 +1 -1.264478 1.200754 2.154118 Rho 0.2686646E-01 |GRAD(Rho)| 0.3176630E-16 GRAD(Rho)x 0.9961362E-17 GRAD(Rho)y -0.1513054E-16 GRAD(Rho)z -0.2609475E-16 Laplacian 0.1087853E+00 (-1/4)Del**2(Rho)) -0.2719633E-01 Diamond 0.1740153E-01 Metallicity 0.1526606E+01 Ellipticity -0.9380119E+01 Gb(Abramov) 0.2505057E-01 Vb(Abramov) -0.2290481E-01 Hb(Abramov) 0.2145765E-02 Ex_ueg -0.5942908E-02 Ec_ueg -0.1183139E-02 Delta_ex -0.7064345E-02 Delta_ec 0.2143813E-02 Delta_et -0.1920475E-01 Pxc 0.5023000E+01 Qxc -0.3295224E+01 3,+1 100 3 +1 -0.103465 0.130637 2.966148 Rho 0.5407274E-02 |GRAD(Rho)| 0.3265312E-14 GRAD(Rho)x -0.2208896E-14 GRAD(Rho)y 0.2397306E-14 GRAD(Rho)z 0.1896460E-15 Laplacian 0.2176046E-01 (-1/4)Del**2(Rho)) -0.5440114E-02 Diamond 0.5922012E-03 Metallicity 0.5275243E+00 Ellipticity -0.7465668E+01 Gb(Abramov) 0.4105042E-02 Vb(Abramov) -0.2769969E-02 Hb(Abramov) 0.1335073E-02 Ex_ueg -0.7009541E-03 Ec_ueg -0.1644813E-03 Delta_ex -0.1122232E-02 Delta_ec 0.7276349E-03 Delta_et -0.4028636E-02 Pxc 0.4261602E+01 Qxc -0.1542301E+01 3,+1 101 3 -1 -0.871060 -3.099424 -2.022396 Rho 0.1314819E+00 |GRAD(Rho)| 0.1262415E-15 GRAD(Rho)x -0.1025384E-15 GRAD(Rho)y -0.6755935E-16 GRAD(Rho)z -0.2930056E-16 Laplacian 0.5317187E+00 (-1/4)Del**2(Rho)) -0.1329297E+00 Diamond 0.9393118E+00 Metallicity 0.4405965E+01 Ellipticity 0.9753363E-02 Gb(Abramov) 0.1862337E+00 Vb(Abramov) -0.2395377E+00 Hb(Abramov) -0.5330402E-01 Ex_ueg -0.4937869E-01 Ec_ueg -0.7268847E-02 Delta_ex -0.5552939E-01 Delta_ec 0.1434555E-01 Delta_et -0.1880141E+00 Pxc 0.6793194E+01 Qxc -0.3870845E+01 3,-1 102 3 +1 -1.119173 2.172091 1.338587 Rho 0.2865507E-01 |GRAD(Rho)| 0.2970457E-16 GRAD(Rho)x 0.1885818E-16 GRAD(Rho)y -0.2276990E-16 GRAD(Rho)z 0.2874341E-17 Laplacian 0.1116644E+00 (-1/4)Del**2(Rho)) -0.2791609E-01 Diamond 0.1784296E-01 Metallicity 0.1655901E+01 Ellipticity -0.5528267E+01 Gb(Abramov) 0.2631510E-01 Vb(Abramov) -0.2471412E-01 Hb(Abramov) 0.1600985E-02 Ex_ueg -0.6476200E-02 Ec_ueg -0.1274445E-02 Delta_ex -0.7223652E-02 Delta_ec 0.1930216E-02 Delta_et -0.1760537E-01 Pxc 0.5081586E+01 Qxc -0.3742405E+01 3,+1 103 3 +1 1.668873 -0.542363 -0.533116 Rho 0.8705419E-02 |GRAD(Rho)| 0.2624510E-16 GRAD(Rho)x 0.1591791E-16 GRAD(Rho)y -0.6632665E-18 GRAD(Rho)z -0.2085630E-16 Laplacian 0.3361798E-01 (-1/4)Del**2(Rho)) -0.8404496E-02 Diamond 0.9152778E-03 Metallicity 0.7551345E+00 Ellipticity -0.1462496E+01 Gb(Abramov) 0.6660752E-02 Vb(Abramov) -0.4917007E-02 Hb(Abramov) 0.1743745E-02 Ex_ueg -0.1322629E-02 Ec_ueg -0.3096993E-03 Delta_ex -0.1540792E-02 Delta_ec 0.4734973E-03 Delta_et -0.3246130E-02 Pxc 0.4270687E+01 Qxc -0.3254068E+01 3,+1 104 3 -1 -0.550526 1.746628 1.717255 Rho 0.4162660E-01 |GRAD(Rho)| 0.6673776E-16 GRAD(Rho)x 0.1149064E-16 GRAD(Rho)y 0.3372017E-16 GRAD(Rho)z 0.5643442E-16 Laplacian 0.1673258E+00 (-1/4)Del**2(Rho)) -0.4183145E-01 Diamond 0.6499257E-01 Metallicity 0.2059057E+01 Ellipticity 0.1685777E-01 Gb(Abramov) 0.4224320E-01 Vb(Abramov) -0.4265494E-01 Hb(Abramov) -0.4117424E-03 Ex_ueg -0.1065482E-01 Ec_ueg -0.1957539E-02 Delta_ex -0.1309419E-01 Delta_ec 0.4882019E-02 Delta_et -0.4902601E-01 Pxc 0.5442968E+01 Qxc -0.2682127E+01 3,-1 105 3 -1 -0.554894 -2.796017 1.836950 Rho 0.1556293E+00 |GRAD(Rho)| 0.7770440E-12 GRAD(Rho)x 0.5076995E-12 GRAD(Rho)y 0.1052189E-12 GRAD(Rho)z 0.5787639E-12 Laplacian 0.6518857E+00 (-1/4)Del**2(Rho)) -0.1629714E+00 Diamond 0.1368065E+01 Metallicity 0.4759858E+01 Ellipticity 0.9616553E-02 Gb(Abramov) 0.2379344E+00 Vb(Abramov) -0.3128974E+00 Hb(Abramov) -0.7496300E-01 Ex_ueg -0.6182634E-01 Ec_ueg -0.8804839E-02 Delta_ex -0.7052391E-01 Delta_ec 0.1617248E-01 Delta_et -0.2158431E+00 Pxc 0.7021860E+01 Qxc -0.4360736E+01 3,-1 106 3 -1 -0.879883 -2.036389 -3.047801 Rho 0.1133749E+00 |GRAD(Rho)| 0.8411368E-16 GRAD(Rho)x 0.6455069E-16 GRAD(Rho)y -0.5282775E-16 GRAD(Rho)z 0.1084202E-16 Laplacian 0.4654977E+00 (-1/4)Del**2(Rho)) -0.1163744E+00 Diamond 0.6941785E+00 Metallicity 0.3931489E+01 Ellipticity 0.1150481E-01 Gb(Abramov) 0.1538371E+00 Vb(Abramov) -0.1912997E+00 Hb(Abramov) -0.3746265E-01 Ex_ueg -0.4052666E-01 Ec_ueg -0.6142145E-02 Delta_ex -0.4702031E-01 Delta_ec 0.1315346E-01 Delta_et -0.1681508E+00 Pxc 0.6598129E+01 Qxc -0.3574750E+01 3,-1 107 3 -1 -0.555487 -1.803848 2.802723 Rho 0.1397186E+00 |GRAD(Rho)| 0.1485568E-14 GRAD(Rho)x 0.5895349E-17 GRAD(Rho)y 0.1186293E-14 GRAD(Rho)z 0.8941957E-15 Laplacian 0.5756534E+00 (-1/4)Del**2(Rho)) -0.1439133E+00 Diamond 0.1070367E+01 Metallicity 0.4503422E+01 Ellipticity 0.9950074E-02 Gb(Abramov) 0.2039593E+00 Vb(Abramov) -0.2640053E+00 Hb(Abramov) -0.6004597E-01 Ex_ueg -0.5354564E-01 Ec_ueg -0.7788642E-02 Delta_ex -0.6074610E-01 Delta_ec 0.1484681E-01 Delta_et -0.1955810E+00 Pxc 0.6874837E+01 Qxc -0.4091527E+01 3,-1 108 3 +1 -1.069893 -1.438793 -2.217268 Rho 0.2603933E-01 |GRAD(Rho)| 0.4937113E-13 GRAD(Rho)x 0.2397770E-13 GRAD(Rho)y -0.3696128E-13 GRAD(Rho)z -0.2228099E-13 Laplacian 0.1003367E+00 (-1/4)Del**2(Rho)) -0.2508416E-01 Diamond 0.1276240E-01 Metallicity 0.1571097E+01 Ellipticity -0.2816445E+01 Gb(Abramov) 0.2329105E-01 Vb(Abramov) -0.2149794E-01 Hb(Abramov) 0.1793110E-02 Ex_ueg -0.5700217E-02 Ec_ueg -0.1141184E-02 Delta_ex -0.6193796E-02 Delta_ec 0.1497400E-02 Delta_et -0.1339130E-01 Pxc 0.4995004E+01 Qxc -0.4136368E+01 3,+1 109 3 -1 -0.860220 3.010687 2.015688 Rho 0.1453244E+00 |GRAD(Rho)| 0.1785958E-15 GRAD(Rho)x -0.1555152E-15 GRAD(Rho)y -0.5173000E-16 GRAD(Rho)z 0.7096103E-16 Laplacian 0.5759169E+00 (-1/4)Del**2(Rho)) -0.1439792E+00 Diamond 0.1117608E+01 Metallicity 0.4806375E+01 Ellipticity 0.3813577E-01 Gb(Abramov) 0.2113225E+00 Vb(Abramov) -0.2786658E+00 Hb(Abramov) -0.6734327E-01 Ex_ueg -0.5642910E-01 Ec_ueg -0.8144884E-02 Delta_ex -0.6130786E-01 Delta_ec 0.1461719E-01 Delta_et -0.1934694E+00 Pxc 0.6928166E+01 Qxc -0.4194232E+01 3,-1 110 3 -1 -0.601127 2.829605 -1.854864 Rho 0.1159875E+00 |GRAD(Rho)| 0.4764306E-15 GRAD(Rho)x 0.3012185E-15 GRAD(Rho)y -0.9195390E-16 GRAD(Rho)z -0.3574886E-15 Laplacian 0.4914764E+00 (-1/4)Del**2(Rho)) -0.1228691E+00 Diamond 0.7590780E+00 Metallicity 0.3867786E+01 Ellipticity 0.2798879E-02 Gb(Abramov) 0.1611180E+00 Vb(Abramov) -0.1993668E+00 Hb(Abramov) -0.3824886E-01 Ex_ueg -0.4177662E-01 Ec_ueg -0.6303304E-02 Delta_ex -0.4999193E-01 Delta_ec 0.1396118E-01 Delta_et -0.1794595E+00 Pxc 0.6627733E+01 Qxc -0.3580780E+01 3,-1 111 3 +1 0.125931 2.982287 -0.178914 Rho 0.5043543E-02 |GRAD(Rho)| 0.3155232E-17 GRAD(Rho)x 0.2524305E-17 GRAD(Rho)y 0.3659257E-18 GRAD(Rho)z 0.1857276E-17 Laplacian 0.2017477E-01 (-1/4)Del**2(Rho)) -0.5043693E-02 Diamond 0.4442426E-03 Metallicity 0.5066375E+00 Ellipticity -0.2411909E+01 Gb(Abramov) 0.3788349E-02 Vb(Abramov) -0.2533006E-02 Hb(Abramov) 0.1255344E-02 Ex_ueg -0.6388016E-03 Ec_ueg -0.1487871E-03 Delta_ex -0.9756063E-03 Delta_ec 0.5832549E-03 Delta_et -0.3196839E-02 Pxc 0.4293394E+01 Qxc -0.1672693E+01 3,+1 112 3 +1 -0.564936 -0.509967 1.663617 Rho 0.8330834E-02 |GRAD(Rho)| 0.6950209E-13 GRAD(Rho)x -0.1549561E-13 GRAD(Rho)y -0.4553411E-13 GRAD(Rho)z 0.5017042E-13 Laplacian 0.3233442E-01 (-1/4)Del**2(Rho)) -0.8083605E-02 Diamond 0.8289476E-03 Metallicity 0.7296180E+00 Ellipticity -0.1438028E+01 Gb(Abramov) 0.6372061E-02 Vb(Abramov) -0.4660516E-02 Hb(Abramov) 0.1711544E-02 Ex_ueg -0.1247297E-02 Ec_ueg -0.2929530E-03 Delta_ex -0.1465491E-02 Delta_ec 0.4552734E-03 Delta_et -0.3086182E-02 Pxc 0.4257667E+01 Qxc -0.3218925E+01 3,+1 113 3 +1 1.669379 0.531279 0.546287 Rho 0.8193976E-02 |GRAD(Rho)| 0.2433652E-17 GRAD(Rho)x 0.1683974E-17 GRAD(Rho)y 0.1724900E-17 GRAD(Rho)z 0.3340883E-18 Laplacian 0.3143391E-01 (-1/4)Del**2(Rho)) -0.7858477E-02 Diamond 0.7942822E-03 Metallicity 0.7300836E+00 Ellipticity -0.1454455E+01 Gb(Abramov) 0.6195209E-02 Vb(Abramov) -0.4531941E-02 Hb(Abramov) 0.1663268E-02 Ex_ueg -0.1220051E-02 Ec_ueg -0.2868502E-03 Delta_ex -0.1421813E-02 Delta_ec 0.4480849E-03 Delta_et -0.3019985E-02 Pxc 0.4253268E+01 Qxc -0.3173089E+01 3,+1 114 3 +3 -0.016321 -2.357399 -0.024066 Rho 0.4455494E-02 |GRAD(Rho)| 0.2379791E-16 GRAD(Rho)x 0.8662771E-17 GRAD(Rho)y 0.1756614E-16 GRAD(Rho)z 0.1351768E-16 Laplacian 0.1787982E-01 (-1/4)Del**2(Rho)) -0.4469955E-02 Diamond 0.1520180E-03 Metallicity 0.4649538E+00 Ellipticity -0.3150855E+00 Gb(Abramov) 0.3326357E-02 Vb(Abramov) -0.2182759E-02 Hb(Abramov) 0.1143598E-02 Ex_ueg -0.5414764E-03 Ec_ueg -0.1235563E-03 Delta_ex -0.6474905E-03 Delta_ec 0.1664994E-03 Delta_et -0.1035510E-02 Pxc 0.4382428E+01 Qxc -0.3888846E+01 3,+3 115 3 -1 -0.484058 -0.495313 -0.502847 Rho 0.1869017E+00 |GRAD(Rho)| 0.2665384E-15 GRAD(Rho)x -0.2602085E-15 GRAD(Rho)y -0.3122502E-16 GRAD(Rho)z -0.4857226E-16 Laplacian 0.5113102E+00 (-1/4)Del**2(Rho)) -0.1278276E+00 Diamond 0.1370810E+01 Metallicity 0.8234128E+01 Ellipticity 0.5209922E-02 Gb(Abramov) 0.2606431E+00 Vb(Abramov) -0.3934587E+00 Hb(Abramov) -0.1328156E+00 Ex_ueg -0.7892287E-01 Ec_ueg -0.1084629E-01 Delta_ex -0.5816443E-01 Delta_ec 0.1254316E-01 Delta_et -0.1722905E+00 Pxc 0.7276483E+01 Qxc -0.4637144E+01 3,-1 116 3 +1 0.188657 -0.151440 2.963797 Rho 0.5342246E-02 |GRAD(Rho)| 0.5395339E-17 GRAD(Rho)x -0.5217293E-17 GRAD(Rho)y -0.1197516E-17 GRAD(Rho)z 0.6748998E-18 Laplacian 0.2147160E-01 (-1/4)Del**2(Rho)) -0.5367900E-02 Diamond 0.5058962E-03 Metallicity 0.5239486E+00 Ellipticity -0.2465066E+01 Gb(Abramov) 0.4047350E-02 Vb(Abramov) -0.2726801E-02 Hb(Abramov) 0.1320549E-02 Ex_ueg -0.6897371E-03 Ec_ueg -0.1616707E-03 Delta_ex -0.1046109E-02 Delta_ec 0.6132239E-03 Delta_et -0.3422385E-02 Pxc 0.4266310E+01 Qxc -0.1705917E+01 3,+1 117 3 +3 -0.013722 0.043994 2.299223 Rho 0.4425614E-02 |GRAD(Rho)| 0.6255778E-17 GRAD(Rho)x 0.2137910E-17 GRAD(Rho)y -0.2430462E-17 GRAD(Rho)z -0.5353219E-17 Laplacian 0.1789995E-01 (-1/4)Del**2(Rho)) -0.4474988E-02 Diamond 0.1406579E-03 Metallicity 0.4592514E+00 Ellipticity -0.2837721E+00 Gb(Abramov) 0.3325850E-02 Vb(Abramov) -0.2176711E-02 Hb(Abramov) 0.1149139E-02 Ex_ueg -0.5366401E-03 Ec_ueg -0.1222790E-03 Delta_ex -0.6360223E-03 Delta_ec 0.1468898E-03 Delta_et -0.9394503E-03 Pxc 0.4388653E+01 Qxc -0.4329930E+01 3,+3 118 3 -1 -0.045965 0.075483 2.965446 Rho 0.5408766E-02 |GRAD(Rho)| 0.2535733E-15 GRAD(Rho)x -0.1552418E-15 GRAD(Rho)y 0.2004912E-15 GRAD(Rho)z 0.1629048E-17 Laplacian 0.2149204E-01 (-1/4)Del**2(Rho)) -0.5373010E-02 Diamond 0.6213374E-03 Metallicity 0.5343582E+00 Ellipticity 0.7312550E+01 Gb(Abramov) 0.4060525E-02 Vb(Abramov) -0.2748041E-02 Hb(Abramov) 0.1312485E-02 Ex_ueg -0.7012119E-03 Ec_ueg -0.1645459E-03 Delta_ex -0.1138738E-02 Delta_ec 0.7727403E-03 Delta_et -0.4258327E-02 Pxc 0.4261499E+01 Qxc -0.1473636E+01 3,-1 119 3 +1 1.410727 -1.044510 2.185785 Rho 0.2595141E-01 |GRAD(Rho)| 0.6997876E-16 GRAD(Rho)x 0.2996180E-16 GRAD(Rho)y -0.1909434E-17 GRAD(Rho)z 0.6321132E-16 Laplacian 0.9999909E-01 (-1/4)Del**2(Rho)) -0.2499977E-01 Diamond 0.1252777E-01 Metallicity 0.1567540E+01 Ellipticity -0.2709181E+01 Gb(Abramov) 0.2319787E-01 Vb(Abramov) -0.2139598E-01 Hb(Abramov) 0.1801899E-02 Ex_ueg -0.5674571E-02 Ec_ueg -0.1136735E-02 Delta_ex -0.6153583E-02 Delta_ec 0.1467930E-02 Delta_et -0.1312319E-01 Pxc 0.4991993E+01 Qxc -0.4192015E+01 3,+1 120 3 -1 0.523685 -1.733561 1.738191 Rho 0.4634901E-01 |GRAD(Rho)| 0.1804138E-12 GRAD(Rho)x 0.1542613E-12 GRAD(Rho)y -0.2013748E-13 GRAD(Rho)z -0.9136219E-13 Laplacian 0.1885951E+00 (-1/4)Del**2(Rho)) -0.4714878E-01 Diamond 0.8572833E-01 Metallicity 0.2185161E+01 Ellipticity 0.1826976E-01 Gb(Abramov) 0.4860380E-01 Vb(Abramov) -0.5005883E-01 Hb(Abramov) -0.1455022E-02 Ex_ueg -0.1229624E-01 Ec_ueg -0.2214077E-02 Delta_ex -0.1520657E-01 Delta_ec 0.5578956E-02 Delta_et -0.5765932E-01 Pxc 0.5553664E+01 Qxc -0.2725702E+01 3,-1 121 3 -1 -0.490069 0.463584 0.432073 Rho 0.1792205E+00 |GRAD(Rho)| 0.3925384E-15 GRAD(Rho)x 0.4857226E-16 GRAD(Rho)y -0.3677614E-15 GRAD(Rho)z -0.1283695E-15 Laplacian 0.4743199E+00 (-1/4)Del**2(Rho)) -0.1185800E+00 Diamond 0.1218661E+01 Metallicity 0.8276654E+01 Ellipticity 0.4985845E-02 Gb(Abramov) 0.2426276E+00 Vb(Abramov) -0.3666752E+00 Hb(Abramov) -0.1240476E+00 Ex_ueg -0.7462806E-01 Ec_ueg -0.1033961E-01 Delta_ex -0.5346574E-01 Delta_ec 0.1189794E-01 Delta_et -0.1630713E+00 Pxc 0.7217685E+01 Qxc -0.4493696E+01 3,-1 122 3 +3 1.116614 -1.134174 -1.133108 Rho 0.5128729E-02 |GRAD(Rho)| 0.3351616E-16 GRAD(Rho)x -0.1223512E-16 GRAD(Rho)y -0.2206113E-16 GRAD(Rho)z -0.2206676E-16 Laplacian 0.1955955E-01 (-1/4)Del**2(Rho)) -0.4889887E-02 Diamond 0.1393871E-03 Metallicity 0.5373665E+00 Ellipticity -0.1409562E+00 Gb(Abramov) 0.3697869E-02 Vb(Abramov) -0.2505850E-02 Hb(Abramov) 0.1192019E-02 Ex_ueg -0.6532280E-03 Ec_ueg -0.1524568E-03 Delta_ex -0.6787231E-03 Delta_ec 0.8288394E-04 Delta_et -0.6684615E-03 Pxc 0.4284677E+01 Qxc -0.8188838E+01 3,+3 123 3 +1 0.537911 -0.577450 -1.689884 Rho 0.8500682E-02 |GRAD(Rho)| 0.1537479E-16 GRAD(Rho)x -0.5651265E-18 GRAD(Rho)y -0.7317534E-17 GRAD(Rho)z -0.1350994E-16 Laplacian 0.3231635E-01 (-1/4)Del**2(Rho)) -0.8079088E-02 Diamond 0.8635809E-03 Metallicity 0.7550002E+00 Ellipticity -0.1487906E+01 Gb(Abramov) 0.6402678E-02 Vb(Abramov) -0.4726267E-02 Hb(Abramov) 0.1676411E-02 Ex_ueg -0.1281317E-02 Ec_ueg -0.3005385E-03 Delta_ex -0.1477650E-02 Delta_ec 0.4648224E-03 Delta_et -0.3159345E-02 Pxc 0.4263405E+01 Qxc -0.3178955E+01 3,+1 124 3 -1 0.079906 -3.280692 -3.257979 Rho 0.2151358E+00 |GRAD(Rho)| 0.2770520E-14 GRAD(Rho)x 0.1193002E-14 GRAD(Rho)y 0.1338990E-15 GRAD(Rho)z 0.2496918E-14 Laplacian 0.8055417E+00 (-1/4)Del**2(Rho)) -0.2013854E+00 Diamond 0.2492186E+01 Metallicity 0.6607639E+01 Ellipticity 0.2455027E-02 Gb(Abramov) 0.3560373E+00 Vb(Abramov) -0.5106892E+00 Hb(Abramov) -0.1546519E+00 Ex_ueg -0.9520695E-01 Ec_ueg -0.1273728E-01 Delta_ex -0.9456797E-01 Delta_ec 0.1830615E-01 Delta_et -0.2520042E+00 Pxc 0.7474667E+01 Qxc -0.5165912E+01 3,-1 125 3 -1 0.464181 0.456451 -0.495568 Rho 0.1850299E+00 |GRAD(Rho)| 0.8712123E-14 GRAD(Rho)x -0.4635181E-14 GRAD(Rho)y -0.5440093E-14 GRAD(Rho)z 0.4982126E-14 Laplacian 0.5013886E+00 (-1/4)Del**2(Rho)) -0.1253471E+00 Diamond 0.1332598E+01 Metallicity 0.8257374E+01 Ellipticity 0.4484664E-02 Gb(Abramov) 0.2560711E+00 Vb(Abramov) -0.3867951E+00 Hb(Abramov) -0.1307240E+00 Ex_ueg -0.7787074E-01 Ec_ueg -0.1072251E-01 Delta_ex -0.5692569E-01 Delta_ec 0.1239346E-01 Delta_et -0.1702383E+00 Pxc 0.7262361E+01 Qxc -0.4593204E+01 3,-1 126 3 +1 0.519876 0.554750 1.670255 Rho 0.7850186E-02 |GRAD(Rho)| 0.9951923E-17 GRAD(Rho)x 0.4423262E-17 GRAD(Rho)y -0.8819540E-17 GRAD(Rho)z 0.1300470E-17 Laplacian 0.3004324E-01 (-1/4)Del**2(Rho)) -0.7510809E-02 Diamond 0.7162711E-03 Metallicity 0.7112130E+00 Ellipticity -0.1439282E+01 Gb(Abramov) 0.5897503E-02 Vb(Abramov) -0.4284198E-02 Hb(Abramov) 0.1613305E-02 Ex_ueg -0.1152281E-02 Ec_ueg -0.2715573E-03 Delta_ex -0.1344451E-02 Delta_ec 0.4284023E-03 Delta_et -0.2855320E-02 Pxc 0.4243233E+01 Qxc -0.3138291E+01 3,+1 127 3 -1 1.728137 1.738707 -0.545172 Rho 0.4437866E-01 |GRAD(Rho)| 0.4400397E-16 GRAD(Rho)x 0.3847986E-16 GRAD(Rho)y 0.1951098E-16 GRAD(Rho)z 0.8658583E-17 Laplacian 0.1799146E+00 (-1/4)Del**2(Rho)) -0.4497864E-01 Diamond 0.7666947E-01 Metallicity 0.2130610E+01 Ellipticity 0.1821624E-01 Gb(Abramov) 0.4595775E-01 Vb(Abramov) -0.4693685E-01 Hb(Abramov) -0.9791064E-03 Ex_ueg -0.1160426E-01 Ec_ueg -0.2106588E-02 Delta_ex -0.1432837E-01 Delta_ec 0.5285735E-02 Delta_et -0.5399760E-01 Pxc 0.5508556E+01 Qxc -0.2710761E+01 3,-1 128 3 +1 0.517598 1.686973 0.512119 Rho 0.8204910E-02 |GRAD(Rho)| 0.2974400E-15 GRAD(Rho)x -0.1818825E-15 GRAD(Rho)y -0.2145803E-15 GRAD(Rho)z -0.9666765E-16 Laplacian 0.3180087E-01 (-1/4)Del**2(Rho)) -0.7950217E-02 Diamond 0.7965242E-03 Metallicity 0.7232645E+00 Ellipticity -0.1431290E+01 Gb(Abramov) 0.6258497E-02 Vb(Abramov) -0.4566776E-02 Hb(Abramov) 0.1691721E-02 Ex_ueg -0.1222222E-02 Ec_ueg -0.2873375E-03 Delta_ex -0.1434821E-02 Delta_ec 0.4460430E-03 Delta_et -0.3013176E-02 Pxc 0.4253612E+01 Qxc -0.3216776E+01 3,+1 129 3 +3 1.090426 1.110351 1.114512 Rho 0.4817770E-02 |GRAD(Rho)| 0.3433906E-16 GRAD(Rho)x -0.1990644E-16 GRAD(Rho)y 0.2015144E-16 GRAD(Rho)z -0.1941196E-16 Laplacian 0.1840462E-01 (-1/4)Del**2(Rho)) -0.4601154E-02 Diamond 0.1240035E-03 Metallicity 0.5145527E+00 Ellipticity -0.7898655E-01 Gb(Abramov) 0.3462025E-02 Vb(Abramov) -0.2322897E-02 Hb(Abramov) 0.1139129E-02 Ex_ueg -0.6009612E-03 Ec_ueg -0.1390791E-03 Delta_ex -0.6311581E-03 Delta_ec 0.8429462E-04 Delta_et -0.6537289E-03 Pxc 0.4321002E+01 Qxc -0.7487526E+01 3,+3 130 3 +1 1.785631 -1.761741 -1.754589 Rho 0.1191689E-01 |GRAD(Rho)| 0.8341087E-16 GRAD(Rho)x -0.1489201E-16 GRAD(Rho)y 0.3953147E-16 GRAD(Rho)z -0.7192263E-16 Laplacian 0.5842752E-01 (-1/4)Del**2(Rho)) -0.1460688E-01 Diamond 0.2272919E-02 Metallicity 0.7332762E+00 Ellipticity -0.1255784E+01 Gb(Abramov) 0.1152307E-01 Vb(Abramov) -0.8439252E-02 Hb(Abramov) 0.3083814E-02 Ex_ueg -0.2010339E-02 Ec_ueg -0.4557339E-03 Delta_ex -0.2853273E-02 Delta_ec 0.7343951E-03 Delta_et -0.5515891E-02 Pxc 0.4411211E+01 Qxc -0.3885201E+01 3,+1 131 3 -1 -0.065792 -3.218301 3.220189 Rho 0.2381185E+00 |GRAD(Rho)| 0.6296088E-14 GRAD(Rho)x 0.2795941E-14 GRAD(Rho)y -0.5612481E-14 GRAD(Rho)z 0.5687725E-15 Laplacian 0.8724044E+00 (-1/4)Del**2(Rho)) -0.2181011E+00 Diamond 0.3051867E+01 Metallicity 0.7225765E+01 Ellipticity 0.5231078E-02 Gb(Abramov) 0.4080586E+00 Vb(Abramov) -0.5980162E+00 Hb(Abramov) -0.1899575E+00 Ex_ueg -0.1090040E+00 Ec_ueg -0.1430915E-01 Delta_ex -0.1051637E+00 Delta_ec 0.1927398E-01 Delta_et -0.2667160E+00 Pxc 0.7617787E+01 Qxc -0.5456251E+01 3,-1 132 3 -1 0.587266 -2.832747 -1.812904 Rho 0.1154566E+00 |GRAD(Rho)| 0.1449180E-15 GRAD(Rho)x 0.7612455E-16 GRAD(Rho)y -0.5067968E-16 GRAD(Rho)z -0.1124182E-15 Laplacian 0.4978399E+00 (-1/4)Del**2(Rho)) -0.1244600E+00 Diamond 0.7631376E+00 Metallicity 0.3789261E+01 Ellipticity 0.2201742E-01 Gb(Abramov) 0.1615752E+00 Vb(Abramov) -0.1986904E+00 Hb(Abramov) -0.3711523E-01 Ex_ueg -0.4152184E-01 Ec_ueg -0.6270514E-02 Delta_ex -0.5056307E-01 Delta_ec 0.1411788E-01 Delta_et -0.1812598E+00 Pxc 0.6621760E+01 Qxc -0.3581492E+01 3,-1 133 3 -1 0.521457 1.730298 -1.764244 Rho 0.4151358E-01 |GRAD(Rho)| 0.1588331E-12 GRAD(Rho)x -0.4642159E-13 GRAD(Rho)y 0.1098088E-12 GRAD(Rho)z -0.1049524E-12 Laplacian 0.1780852E+00 (-1/4)Del**2(Rho)) -0.4452130E-01 Diamond 0.7524143E-01 Metallicity 0.1925908E+01 Ellipticity 0.1539667E-01 Gb(Abramov) 0.4397153E-01 Vb(Abramov) -0.4342175E-01 Hb(Abramov) 0.5497759E-03 Ex_ueg -0.1061627E-01 Ec_ueg -0.1951446E-02 Delta_ex -0.1427606E-01 Delta_ec 0.5819752E-02 Delta_et -0.5848997E-01 Pxc 0.5440206E+01 Qxc -0.2453036E+01 3,-1 134 3 -1 0.553032 1.845036 2.807614 Rho 0.1562810E+00 |GRAD(Rho)| 0.2985930E-15 GRAD(Rho)x 0.1855612E-15 GRAD(Rho)y -0.2235083E-15 GRAD(Rho)z -0.6905690E-16 Laplacian 0.6511379E+00 (-1/4)Del**2(Rho)) -0.1627845E+00 Diamond 0.1376702E+01 Metallicity 0.4798630E+01 Ellipticity 0.8362934E-02 Gb(Abramov) 0.2387134E+00 Vb(Abramov) -0.3146423E+00 Hb(Abramov) -0.7592892E-01 Ex_ueg -0.6217179E-01 Ec_ueg -0.8846795E-02 Delta_ex -0.7054740E-01 Delta_ec 0.1619296E-01 Delta_et -0.2163720E+00 Pxc 0.7027606E+01 Qxc -0.4356671E+01 3,-1 135 3 +1 1.056836 1.412522 -2.206830 Rho 0.2584915E-01 |GRAD(Rho)| 0.2693256E-14 GRAD(Rho)x -0.1249164E-14 GRAD(Rho)y 0.1936120E-14 GRAD(Rho)z -0.1394509E-14 Laplacian 0.9917714E-01 (-1/4)Del**2(Rho)) -0.2479429E-01 Diamond 0.1218396E-01 Metallicity 0.1570165E+01 Ellipticity -0.2613199E+01 Gb(Abramov) 0.2301805E-01 Vb(Abramov) -0.2124180E-01 Hb(Abramov) 0.1776241E-02 Ex_ueg -0.5644777E-02 Ec_ueg -0.1131562E-02 Delta_ex -0.6078424E-02 Delta_ec 0.1423731E-02 Delta_et -0.1272426E-01 Pxc 0.4988482E+01 Qxc -0.4269362E+01 3,+1 136 3 -1 0.864274 -3.000597 2.006111 Rho 0.1358665E+00 |GRAD(Rho)| 0.1760770E-12 GRAD(Rho)x -0.1212956E-12 GRAD(Rho)y 0.4881189E-13 GRAD(Rho)z 0.1179317E-12 Laplacian 0.5288725E+00 (-1/4)Del**2(Rho)) -0.1322181E+00 Diamond 0.9534209E+00 Metallicity 0.4678604E+01 Ellipticity 0.3794611E-01 Gb(Abramov) 0.1912448E+00 Vb(Abramov) -0.2502715E+00 Hb(Abramov) -0.5902667E-01 Ex_ueg -0.5158638E-01 Ec_ueg -0.7545002E-02 Delta_ex -0.5546016E-01 Delta_ec 0.1378422E-01 Delta_et -0.1809102E+00 Pxc 0.6837158E+01 Qxc -0.4023453E+01 3,-1 137 3 -1 0.590899 -1.846913 -2.810071 Rho 0.1037182E+00 |GRAD(Rho)| 0.2563130E-12 GRAD(Rho)x 0.1684080E-12 GRAD(Rho)y 0.1856910E-12 GRAD(Rho)z -0.5342232E-13 Laplacian 0.4537558E+00 (-1/4)Del**2(Rho)) -0.1134390E+00 Diamond 0.6126729E+00 Metallicity 0.3477087E+01 Ellipticity 0.2080298E-01 Gb(Abramov) 0.1413655E+00 Vb(Abramov) -0.1692920E+00 Hb(Abramov) -0.2792654E-01 Ex_ueg -0.3599079E-01 Ec_ueg -0.5550830E-02 Delta_ex -0.4497165E-01 Delta_ec 0.1321778E-01 Delta_et -0.1662391E+00 Pxc 0.6483858E+01 Qxc -0.3402361E+01 3,-1 138 3 -1 0.845949 -2.011321 3.024176 Rho 0.1474299E+00 |GRAD(Rho)| 0.2346822E-15 GRAD(Rho)x -0.1179341E-15 GRAD(Rho)y -0.1978669E-15 GRAD(Rho)z 0.4489952E-16 Laplacian 0.5819267E+00 (-1/4)Del**2(Rho)) -0.1454817E+00 Diamond 0.1148796E+01 Metallicity 0.4872151E+01 Ellipticity 0.2793506E-01 Gb(Abramov) 0.2151226E+00 Vb(Abramov) -0.2847635E+00 Hb(Abramov) -0.6964089E-01 Ex_ueg -0.5752179E-01 Ec_ueg -0.8279193E-02 Delta_ex -0.6216509E-01 Delta_ec 0.1471441E-01 Delta_et -0.1951466E+00 Pxc 0.6947754E+01 Qxc -0.4224776E+01 3,-1 139 3 -1 1.732407 -0.526037 1.744198 Rho 0.4045272E-01 |GRAD(Rho)| 0.1242194E-13 GRAD(Rho)x -0.1611584E-14 GRAD(Rho)y 0.9441716E-14 GRAD(Rho)z 0.7909575E-14 Laplacian 0.1739306E+00 (-1/4)Del**2(Rho)) -0.4348266E-01 Diamond 0.7098993E-01 Metallicity 0.1888644E+01 Ellipticity 0.1401995E-01 Gb(Abramov) 0.4267564E-01 Vb(Abramov) -0.4186863E-01 Hb(Abramov) 0.8070116E-03 Ex_ueg -0.1025610E-01 Ec_ueg -0.1894365E-02 Delta_ex -0.1385792E-01 Delta_ec 0.5689157E-02 Delta_et -0.5677317E-01 Pxc 0.5414003E+01 Qxc -0.2435847E+01 3,-1 140 3 -1 0.553177 2.806159 1.813549 Rho 0.1380988E+00 |GRAD(Rho)| 0.2385487E-15 GRAD(Rho)x -0.4564491E-16 GRAD(Rho)y -0.5074066E-16 GRAD(Rho)z -0.2285769E-15 Laplacian 0.5721387E+00 (-1/4)Del**2(Rho)) -0.1430347E+00 Diamond 0.1045310E+01 Metallicity 0.4443876E+01 Ellipticity 0.1183356E-01 Gb(Abramov) 0.2012945E+00 Vb(Abramov) -0.2595543E+00 Hb(Abramov) -0.5825982E-01 Ex_ueg -0.5271956E-01 Ec_ueg -0.7686077E-02 Delta_ex -0.6016272E-01 Delta_ec 0.1472413E-01 Delta_et -0.1934711E+00 Pxc 0.6859098E+01 Qxc -0.4085994E+01 3,-1 141 3 -1 0.860120 3.019330 -2.016964 Rho 0.1158630E+00 |GRAD(Rho)| 0.2232390E-15 GRAD(Rho)x -0.1297112E-15 GRAD(Rho)y -0.1794626E-15 GRAD(Rho)z -0.2835189E-16 Laplacian 0.4738507E+00 (-1/4)Del**2(Rho)) -0.1184627E+00 Diamond 0.7257367E+00 Metallicity 0.4004483E+01 Ellipticity 0.7083529E-02 Gb(Abramov) 0.1580387E+00 Vb(Abramov) -0.1976148E+00 Hb(Abramov) -0.3957606E-01 Ex_ueg -0.4171685E-01 Ec_ueg -0.6295615E-02 Delta_ex -0.4811422E-01 Delta_ec 0.1333393E-01 Delta_et -0.1711699E+00 Pxc 0.6626335E+01 Qxc -0.3608406E+01 3,-1 142 3 -1 0.456445 -0.484454 0.456757 Rho 0.1853682E+00 |GRAD(Rho)| 0.5038675E-14 GRAD(Rho)x -0.2650657E-14 GRAD(Rho)y 0.2893519E-14 GRAD(Rho)z -0.3160666E-14 Laplacian 0.5008950E+00 (-1/4)Del**2(Rho)) -0.1252237E+00 Diamond 0.1333942E+01 Metallicity 0.8290711E+01 Ellipticity 0.3498740E-02 Gb(Abramov) 0.2565148E+00 Vb(Abramov) -0.3878059E+00 Hb(Abramov) -0.1312911E+00 Ex_ueg -0.7806061E-01 Ec_ueg -0.1074486E-01 Delta_ex -0.5689374E-01 Delta_ec 0.1237173E-01 Delta_et -0.1699625E+00 Pxc 0.7264923E+01 Qxc -0.4598689E+01 3,-1 143 3 +3 2.310073 0.010167 0.027546 Rho 0.4553993E-02 |GRAD(Rho)| 0.5116101E-16 GRAD(Rho)x -0.5108500E-16 GRAD(Rho)y -0.1550565E-17 GRAD(Rho)z -0.2316682E-17 Laplacian 0.1847938E-01 (-1/4)Del**2(Rho)) -0.4619846E-02 Diamond 0.1541531E-03 Metallicity 0.4665659E+00 Ellipticity -0.3106923E+00 Gb(Abramov) 0.3439141E-02 Vb(Abramov) -0.2258436E-02 Hb(Abramov) 0.1180705E-02 Ex_ueg -0.5574958E-03 Ec_ueg -0.1277701E-03 Delta_ex -0.6648490E-03 Delta_ec 0.1576341E-03 Delta_et -0.1005488E-02 Pxc 0.4363273E+01 Qxc -0.4217674E+01 3,+3 144 3 -1 1.729151 0.525239 -1.748638 Rho 0.4614859E-01 |GRAD(Rho)| 0.1095111E-15 GRAD(Rho)x 0.1113848E-18 GRAD(Rho)y -0.3954204E-16 GRAD(Rho)z -0.1021230E-15 Laplacian 0.1867604E+00 (-1/4)Del**2(Rho)) -0.4669009E-01 Diamond 0.8421385E-01 Metallicity 0.2190748E+01 Ellipticity 0.1178953E-01 Gb(Abramov) 0.4817444E-01 Vb(Abramov) -0.4965878E-01 Hb(Abramov) -0.1484343E-02 Ex_ueg -0.1222540E-01 Ec_ueg -0.2203115E-02 Delta_ex -0.1503356E-01 Delta_ec 0.5509293E-02 Delta_et -0.5687089E-01 Pxc 0.5549142E+01 Qxc -0.2728764E+01 3,-1 145 3 +1 2.175963 1.204384 -1.256906 Rho 0.2811696E-01 |GRAD(Rho)| 0.1757024E-16 GRAD(Rho)x -0.1026534E-16 GRAD(Rho)y -0.1402551E-16 GRAD(Rho)z -0.2573170E-17 Laplacian 0.1153915E+00 (-1/4)Del**2(Rho)) -0.2884788E-01 Diamond 0.1957070E-01 Metallicity 0.1552578E+01 Ellipticity -0.9522148E+01 Gb(Abramov) 0.2669668E-01 Vb(Abramov) -0.2454548E-01 Hb(Abramov) 0.2151197E-02 Ex_ueg -0.6314558E-02 Ec_ueg -0.1246893E-02 Delta_ex -0.7576123E-02 Delta_ec 0.2261132E-02 Delta_et -0.2049213E-01 Pxc 0.5064232E+01 Qxc -0.3350588E+01 3,+1 146 3 -1 1.812969 0.597994 2.816876 Rho 0.1153967E+00 |GRAD(Rho)| 0.5679585E-13 GRAD(Rho)x 0.4225060E-13 GRAD(Rho)y -0.3669202E-13 GRAD(Rho)z -0.9713442E-14 Laplacian 0.5011990E+00 (-1/4)Del**2(Rho)) -0.1252997E+00 Diamond 0.7682513E+00 Metallicity 0.3760611E+01 Ellipticity 0.1863415E-01 Gb(Abramov) 0.1620671E+00 Vb(Abramov) -0.1988344E+00 Hb(Abramov) -0.3676735E-01 Ex_ueg -0.4149312E-01 Ec_ueg -0.6266816E-02 Delta_ex -0.5090432E-01 Delta_ec 0.1422601E-01 Delta_et -0.1826468E+00 Pxc 0.6621085E+01 Qxc -0.3578257E+01 3,-1 147 3 -1 1.847235 -2.797199 -0.553757 Rho 0.1539558E+00 |GRAD(Rho)| 0.2616725E-15 GRAD(Rho)x -0.4363914E-16 GRAD(Rho)y 0.3707971E-16 GRAD(Rho)z 0.2553296E-15 Laplacian 0.6454188E+00 (-1/4)Del**2(Rho)) -0.1613547E+00 Diamond 0.1337975E+01 Metallicity 0.4721698E+01 Ellipticity 0.9442512E-02 Gb(Abramov) 0.2345478E+00 Vb(Abramov) -0.3077410E+00 Hb(Abramov) -0.7319313E-01 Ex_ueg -0.6094149E-01 Ec_ueg -0.8697220E-02 Delta_ex -0.6964691E-01 Delta_ec 0.1607221E-01 Delta_et -0.2142431E+00 Pxc 0.7007008E+01 Qxc -0.4333375E+01 3,-1 148 3 +1 1.265456 -2.177406 1.198990 Rho 0.2786994E-01 |GRAD(Rho)| 0.7292072E-15 GRAD(Rho)x -0.4452341E-16 GRAD(Rho)y 0.2502775E-15 GRAD(Rho)z 0.6834632E-15 Laplacian 0.1136003E+00 (-1/4)Del**2(Rho)) -0.2840007E-01 Diamond 0.1884440E-01 Metallicity 0.1554033E+01 Ellipticity -0.8288036E+01 Gb(Abramov) 0.2628916E-01 Vb(Abramov) -0.2417824E-01 Hb(Abramov) 0.2110915E-02 Ex_ueg -0.6240696E-02 Ec_ueg -0.1234269E-02 Delta_ex -0.7423345E-02 Delta_ec 0.2194099E-02 Delta_et -0.1984457E-01 Pxc 0.5056189E+01 Qxc -0.3383322E+01 3,+1 149 3 +1 1.039755 2.178954 -1.432589 Rho 0.2622611E-01 |GRAD(Rho)| 0.2179987E-16 GRAD(Rho)x 0.9160926E-18 GRAD(Rho)y 0.2122771E-16 GRAD(Rho)z -0.4876441E-17 Laplacian 0.1012064E+00 (-1/4)Del**2(Rho)) -0.2530160E-01 Diamond 0.1299425E-01 Metallicity 0.1576262E+01 Ellipticity -0.2808513E+01 Gb(Abramov) 0.2351473E-01 Vb(Abramov) -0.2172785E-01 Hb(Abramov) 0.1786875E-02 Ex_ueg -0.5754801E-02 Ec_ueg -0.1150643E-02 Delta_ex -0.6259021E-02 Delta_ec 0.1509201E-02 Delta_et -0.1351938E-01 Pxc 0.5001378E+01 Qxc -0.4147242E+01 3,+1 150 3 +1 2.950196 0.170745 -0.134350 Rho 0.5456798E-02 |GRAD(Rho)| 0.3942517E-17 GRAD(Rho)x 0.9022656E-18 GRAD(Rho)y -0.2797290E-17 GRAD(Rho)z -0.2627647E-17 Laplacian 0.2218116E-01 (-1/4)Del**2(Rho)) -0.5545290E-02 Diamond 0.5754742E-03 Metallicity 0.5254427E+00 Ellipticity -0.3526747E+01 Gb(Abramov) 0.4182482E-02 Vb(Abramov) -0.2819674E-02 Hb(Abramov) 0.1362808E-02 Ex_ueg -0.7095269E-03 Ec_ueg -0.1666233E-03 Delta_ex -0.1116487E-02 Delta_ec 0.6891454E-03 Delta_et -0.3845838E-02 Pxc 0.4258269E+01 Qxc -0.1620104E+01 3,+1 151 3 +1 2.005326 -1.979040 2.007186 Rho 0.1205459E-01 |GRAD(Rho)| 0.1445623E-16 GRAD(Rho)x -0.1152051E-16 GRAD(Rho)y -0.1766156E-17 GRAD(Rho)z 0.8552252E-17 Laplacian 0.5438647E-01 (-1/4)Del**2(Rho)) -0.1359662E-01 Diamond 0.1550028E-02 Metallicity 0.8029888E+00 Ellipticity -0.1044942E+01 Gb(Abramov) 0.1088407E-01 Vb(Abramov) -0.8171517E-02 Hb(Abramov) 0.2712551E-02 Ex_ueg -0.2041369E-02 Ec_ueg -0.4620895E-03 Delta_ex -0.2491889E-02 Delta_ec 0.3762610E-03 Delta_et -0.3077196E-02 Pxc 0.4417692E+01 Qxc -0.6622766E+01 3,+1 152 3 -1 2.011235 -2.998870 0.864805 Rho 0.1359494E+00 |GRAD(Rho)| 0.7536587E-12 GRAD(Rho)x -0.4089668E-12 GRAD(Rho)y -0.3195976E-12 GRAD(Rho)z 0.5464476E-12 Laplacian 0.5297739E+00 (-1/4)Del**2(Rho)) -0.1324435E+00 Diamond 0.9553995E+00 Metallicity 0.4675392E+01 Ellipticity 0.3750030E-01 Gb(Abramov) 0.1914999E+00 Vb(Abramov) -0.2505562E+00 Hb(Abramov) -0.5905638E-01 Ex_ueg -0.5162833E-01 Ec_ueg -0.7550234E-02 Delta_ex -0.5555897E-01 Delta_ec 0.1379866E-01 Delta_et -0.1811030E+00 Pxc 0.6837978E+01 Qxc -0.4026403E+01 3,-1 153 3 +3 1.972043 -1.944368 1.973768 Rho 0.1205207E-01 |GRAD(Rho)| 0.1060411E-16 GRAD(Rho)x 0.8862206E-17 GRAD(Rho)y 0.5822859E-17 GRAD(Rho)z 0.5308987E-19 Laplacian 0.5415366E-01 (-1/4)Del**2(Rho)) -0.1353841E-01 Diamond 0.1404111E-02 Metallicity 0.8061606E+00 Ellipticity -0.9480602E+00 Gb(Abramov) 0.1084463E-01 Vb(Abramov) -0.8150850E-02 Hb(Abramov) 0.2693782E-02 Ex_ueg -0.2040801E-02 Ec_ueg -0.4619734E-03 Delta_ex -0.2441186E-02 Delta_ec 0.3034316E-03 Delta_et -0.2583923E-02 Pxc 0.4417573E+01 Qxc -0.8045258E+01 3,+3 154 3 -1 1.733334 -1.732451 0.536168 Rho 0.4418561E-01 |GRAD(Rho)| 0.2855182E-12 GRAD(Rho)x -0.1917889E-12 GRAD(Rho)y 0.1874653E-12 GRAD(Rho)z 0.9795124E-13 Laplacian 0.1780394E+00 (-1/4)Del**2(Rho)) -0.4450986E-01 Diamond 0.7538064E-01 Metallicity 0.2137462E+01 Ellipticity 0.1535378E-01 Gb(Abramov) 0.4552959E-01 Vb(Abramov) -0.4654933E-01 Hb(Abramov) -0.1019735E-02 Ex_ueg -0.1153700E-01 Ec_ueg -0.2096090E-02 Delta_ex -0.1416147E-01 Delta_ec 0.5227061E-02 Delta_et -0.5333587E-01 Pxc 0.5504056E+01 Qxc -0.2709260E+01 3,-1 155 3 -1 1.798387 2.807646 0.559468 Rho 0.1334630E+00 |GRAD(Rho)| 0.2870307E-15 GRAD(Rho)x 0.1182322E-15 GRAD(Rho)y -0.2513994E-17 GRAD(Rho)z -0.2615367E-15 Laplacian 0.5530561E+00 (-1/4)Del**2(Rho)) -0.1382640E+00 Diamond 0.9718611E+00 Metallicity 0.4342887E+01 Ellipticity 0.1098518E-01 Gb(Abramov) 0.1922535E+00 Vb(Abramov) -0.2462430E+00 Hb(Abramov) -0.5398950E-01 Ex_ueg -0.5037318E-01 Ec_ueg -0.7393465E-02 Delta_ex -0.5769947E-01 Delta_ec 0.1439340E-01 Delta_et -0.1882143E+00 Pxc 0.6813204E+01 Qxc -0.4008745E+01 3,-1 156 3 -1 2.002465 3.022322 -0.853692 Rho 0.1497482E+00 |GRAD(Rho)| 0.3346577E-15 GRAD(Rho)x -0.1301449E-15 GRAD(Rho)y 0.4034587E-16 GRAD(Rho)z -0.3056637E-15 Laplacian 0.5919329E+00 (-1/4)Del**2(Rho)) -0.1479832E+00 Diamond 0.1189866E+01 Metallicity 0.4915979E+01 Ellipticity 0.3191224E-01 Gb(Abramov) 0.2199026E+00 Vb(Abramov) -0.2918219E+00 Hb(Abramov) -0.7191934E-01 Ex_ueg -0.5873098E-01 Ec_ueg -0.8427398E-02 Delta_ex -0.6346921E-01 Delta_ec 0.1489541E-01 Delta_et -0.1979428E+00 Pxc 0.6969053E+01 Qxc -0.4260991E+01 3,-1 157 3 +1 2.177581 -1.057876 1.407817 Rho 0.2554810E-01 |GRAD(Rho)| 0.1364213E-16 GRAD(Rho)x -0.7199610E-17 GRAD(Rho)y 0.9428337E-18 GRAD(Rho)z 0.1154922E-16 Laplacian 0.9796894E-01 (-1/4)Del**2(Rho)) -0.2449224E-01 Diamond 0.1226497E-01 Metallicity 0.1558796E+01 Ellipticity -0.2898009E+01 Gb(Abramov) 0.2269122E-01 Vb(Abramov) -0.2089021E-01 Hb(Abramov) 0.1801013E-02 Ex_ueg -0.5557293E-02 Ec_ueg -0.1116350E-02 Delta_ex -0.6029736E-02 Delta_ec 0.1486018E-02 Delta_et -0.1322519E-01 Pxc 0.4978093E+01 Qxc -0.4057647E+01 3,+1 158 3 -1 1.998083 -0.867426 3.034519 Rho 0.1188972E+00 |GRAD(Rho)| 0.6279084E-15 GRAD(Rho)x -0.2513181E-15 GRAD(Rho)y -0.4308484E-15 GRAD(Rho)z 0.3814155E-15 Laplacian 0.4875351E+00 (-1/4)Del**2(Rho)) -0.1218838E+00 Diamond 0.7695510E+00 Metallicity 0.4063433E+01 Ellipticity 0.1079394E-01 Gb(Abramov) 0.1638003E+00 Vb(Abramov) -0.2057168E+00 Hb(Abramov) -0.4191649E-01 Ex_ueg -0.4317977E-01 Ec_ueg -0.6483359E-02 Delta_ex -0.4979608E-01 Delta_ec 0.1362084E-01 Delta_et -0.1756639E+00 Pxc 0.6660093E+01 Qxc -0.3655875E+01 3,-1 159 3 -1 1.840495 -0.569872 -2.806746 Rho 0.1647134E+00 |GRAD(Rho)| 0.7597422E-12 GRAD(Rho)x 0.5483300E-12 GRAD(Rho)y 0.5052770E-12 GRAD(Rho)z 0.1457314E-12 Laplacian 0.6771106E+00 (-1/4)Del**2(Rho)) -0.1692776E+00 Diamond 0.1522921E+01 Metallicity 0.5036959E+01 Ellipticity 0.9270959E-02 Gb(Abramov) 0.2549592E+00 Vb(Abramov) -0.3406407E+00 Hb(Abramov) -0.8568154E-01 Ex_ueg -0.6668430E-01 Ec_ueg -0.9391942E-02 Delta_ex -0.7430837E-01 Delta_ec 0.1658420E-01 Delta_et -0.2229726E+00 Pxc 0.7100161E+01 Qxc -0.4480672E+01 3,-1 160 3 -1 2.794390 -0.559884 -1.802610 Rho 0.1311039E+00 |GRAD(Rho)| 0.4330108E-15 GRAD(Rho)x 0.6566199E-17 GRAD(Rho)y 0.2113246E-15 GRAD(Rho)z -0.3778851E-15 Laplacian 0.5492331E+00 (-1/4)Del**2(Rho)) -0.1373083E+00 Diamond 0.9440608E+00 Metallicity 0.4245045E+01 Ellipticity 0.9204799E-02 Gb(Abramov) 0.1886855E+00 Vb(Abramov) -0.2400627E+00 Hb(Abramov) -0.5137722E-01 Ex_ueg -0.4918950E-01 Ec_ueg -0.7245099E-02 Delta_ex -0.5704662E-01 Delta_ec 0.1434206E-01 Delta_et -0.1869869E+00 Pxc 0.6789348E+01 Qxc -0.3977575E+01 3,-1 161 3 -1 2.804962 -1.798866 -0.547846 Rho 0.1418692E+00 |GRAD(Rho)| 0.2989637E-14 GRAD(Rho)x -0.3099395E-15 GRAD(Rho)y -0.2596854E-14 GRAD(Rho)z 0.1448521E-14 Laplacian 0.5845382E+00 (-1/4)Del**2(Rho)) -0.1461346E+00 Diamond 0.1105466E+01 Metallicity 0.4549328E+01 Ellipticity 0.1094510E-01 Gb(Abramov) 0.2082254E+00 Vb(Abramov) -0.2703162E+00 Hb(Abramov) -0.6209082E-01 Ex_ueg -0.5464738E-01 Ec_ueg -0.7925076E-02 Delta_ex -0.6189719E-01 Delta_ec 0.1499017E-01 Delta_et -0.1978578E+00 Pxc 0.6895502E+01 Qxc -0.4129186E+01 3,-1 162 3 -1 3.027744 -2.008318 0.852198 Rho 0.1481290E+00 |GRAD(Rho)| 0.9219629E-12 GRAD(Rho)x 0.4033704E-12 GRAD(Rho)y 0.4920547E-12 GRAD(Rho)z 0.6672256E-12 Laplacian 0.5854873E+00 (-1/4)Del**2(Rho)) -0.1463718E+00 Diamond 0.1162883E+01 Metallicity 0.4880855E+01 Ellipticity 0.2707470E-01 Gb(Abramov) 0.2166512E+00 Vb(Abramov) -0.2869305E+00 Hb(Abramov) -0.7027934E-01 Ex_ueg -0.5788578E-01 Ec_ueg -0.8323852E-02 Delta_ex -0.6262299E-01 Delta_ec 0.1479560E-01 Delta_et -0.1963727E+00 Pxc 0.6954206E+01 Qxc -0.4232540E+01 3,-1 163 3 -1 3.000112 2.006387 -0.851798 Rho 0.1437015E+00 |GRAD(Rho)| 0.3231410E-12 GRAD(Rho)x 0.1406597E-12 GRAD(Rho)y -0.1775970E-12 GRAD(Rho)z -0.2304219E-12 Laplacian 0.5564759E+00 (-1/4)Del**2(Rho)) -0.1391190E+00 Diamond 0.1074831E+01 Metallicity 0.4882049E+01 Ellipticity 0.3689614E-01 Gb(Abramov) 0.2059436E+00 Vb(Abramov) -0.2727682E+00 Hb(Abramov) -0.6682462E-01 Ex_ueg -0.5559043E-01 Ec_ueg -0.8041544E-02 Delta_ex -0.5917492E-01 Delta_ec 0.1434033E-01 Delta_et -0.1898862E+00 Pxc 0.6912904E+01 Qxc -0.4126470E+01 3,-1 164 3 -1 2.788564 1.847118 0.554950 Rho 0.1529472E+00 |GRAD(Rho)| 0.6019312E-09 GRAD(Rho)x 0.1383009E-09 GRAD(Rho)y -0.4308485E-09 GRAD(Rho)z 0.3969428E-09 Laplacian 0.6378129E+00 (-1/4)Del**2(Rho)) -0.1594532E+00 Diamond 0.1314279E+01 Metallicity 0.4725949E+01 Ellipticity 0.8596522E-02 Gb(Abramov) 0.2318968E+00 Vb(Abramov) -0.3043404E+00 Hb(Abramov) -0.7244357E-01 Ex_ueg -0.6040976E-01 Ec_ueg -0.8632443E-02 Delta_ex -0.6873840E-01 Delta_ec 0.1595185E-01 Delta_et -0.2125570E+00 Pxc 0.6997991E+01 Qxc -0.4309117E+01 3,-1 165 3 -1 3.031973 -0.866243 2.004370 Rho 0.1193204E+00 |GRAD(Rho)| 0.3264275E-12 GRAD(Rho)x 0.1385646E-12 GRAD(Rho)y -0.2353178E-12 GRAD(Rho)z -0.1788304E-12 Laplacian 0.4901026E+00 (-1/4)Del**2(Rho)) -0.1225257E+00 Diamond 0.7774135E+00 Metallicity 0.4066154E+01 Ellipticity 0.1105730E-01 Gb(Abramov) 0.1647185E+00 Vb(Abramov) -0.2069113E+00 Hb(Abramov) -0.4219282E-01 Ex_ueg -0.4338483E-01 Ec_ueg -0.6509599E-02 Delta_ex -0.5010704E-01 Delta_ec 0.1369343E-01 Delta_et -0.1767336E+00 Pxc 0.6664747E+01 Qxc -0.3659203E+01 3,-1 166 3 -1 2.951625 0.051232 -0.009783 Rho 0.5472135E-02 |GRAD(Rho)| 0.1181573E-16 GRAD(Rho)x 0.7293445E-18 GRAD(Rho)y -0.7765647E-17 GRAD(Rho)z -0.8875490E-17 Laplacian 0.2163419E-01 (-1/4)Del**2(Rho)) -0.5408548E-02 Diamond 0.6454289E-03 Metallicity 0.5412532E+00 Ellipticity 0.3411039E+01 Gb(Abramov) 0.4093598E-02 Vb(Abramov) -0.2778648E-02 Hb(Abramov) 0.1314950E-02 Ex_ueg -0.7121872E-03 Ec_ueg -0.1672869E-03 Delta_ex -0.1157086E-02 Delta_ec 0.7927197E-03 Delta_et -0.4378701E-02 Pxc 0.4257279E+01 Qxc -0.1459641E+01 3,-1 167 3 -1 3.243051 -0.077281 -3.195570 Rho 0.2381168E+00 |GRAD(Rho)| 0.2652546E-15 GRAD(Rho)x 0.1458252E-15 GRAD(Rho)y -0.1077968E-15 GRAD(Rho)z 0.1935843E-15 Laplacian 0.8724243E+00 (-1/4)Del**2(Rho)) -0.2181061E+00 Diamond 0.3051211E+01 Metallicity 0.7225513E+01 Ellipticity 0.1997441E-02 Gb(Abramov) 0.4080588E+00 Vb(Abramov) -0.5980114E+00 Hb(Abramov) -0.1899527E+00 Ex_ueg -0.1090030E+00 Ec_ueg -0.1430903E-01 Delta_ex -0.1051621E+00 Delta_ec 0.1926776E-01 Delta_et -0.2666005E+00 Pxc 0.7617776E+01 Qxc -0.5457933E+01 3,-1 168 3 -1 3.249644 0.075042 3.254192 Rho 0.2153920E+00 |GRAD(Rho)| 0.4799099E-12 GRAD(Rho)x -0.3335420E-12 GRAD(Rho)y -0.8901758E-13 GRAD(Rho)z -0.3333754E-12 Laplacian 0.8044593E+00 (-1/4)Del**2(Rho)) -0.2011148E+00 Diamond 0.2493483E+01 Metallicity 0.6629665E+01 Ellipticity 0.1853028E-02 Gb(Abramov) 0.3562972E+00 Vb(Abramov) -0.5114796E+00 Hb(Abramov) -0.1551824E+00 Ex_ueg -0.9535813E-01 Ec_ueg -0.1275464E-01 Delta_ex -0.9447655E-01 Delta_ec 0.1828728E-01 Delta_et -0.2518084E+00 Pxc 0.7476347E+01 Qxc -0.5166244E+01 3,-1 169 3 -1 2.802961 0.598006 1.818806 Rho 0.1173386E+00 |GRAD(Rho)| 0.5564948E-16 GRAD(Rho)x -0.2267677E-16 GRAD(Rho)y 0.3577867E-16 GRAD(Rho)z -0.3609038E-16 Laplacian 0.5084588E+00 (-1/4)Del**2(Rho)) -0.1271147E+00 Diamond 0.7934230E+00 Metallicity 0.3811469E+01 Ellipticity 0.1918095E-01 Gb(Abramov) 0.1654921E+00 Vb(Abramov) -0.2038695E+00 Hb(Abramov) -0.3837738E-01 Ex_ueg -0.4242674E-01 Ec_ueg -0.6386840E-02 Delta_ex -0.5182002E-01 Delta_ec 0.1433417E-01 Delta_et -0.1845465E+00 Pxc 0.6642838E+01 Qxc -0.3615138E+01 3,-1 170 3 -1 2.997550 0.854189 -1.993375 Rho 0.1273086E+00 |GRAD(Rho)| 0.1089588E-14 GRAD(Rho)x -0.2875711E-15 GRAD(Rho)y -0.7938799E-15 GRAD(Rho)z -0.6886649E-15 Laplacian 0.5029773E+00 (-1/4)Del**2(Rho)) -0.1257443E+00 Diamond 0.8351519E+00 Metallicity 0.4413952E+01 Ellipticity 0.3429746E-01 Gb(Abramov) 0.1763344E+00 Vb(Abramov) -0.2269246E+00 Hb(Abramov) -0.5059013E-01 Ex_ueg -0.4730009E-01 Ec_ueg -0.7007181E-02 Delta_ex -0.5188077E-01 Delta_ec 0.1323962E-01 Delta_et -0.1718155E+00 Pxc 0.6750232E+01 Qxc -0.3918600E+01 3,-1 171 3 -1 3.231210 -3.212213 -0.060898 Rho 0.2384451E+00 |GRAD(Rho)| 0.4686911E-15 GRAD(Rho)x -0.4372587E-15 GRAD(Rho)y 0.1106970E-15 GRAD(Rho)z 0.1273667E-15 Laplacian 0.8703509E+00 (-1/4)Del**2(Rho)) -0.2175877E+00 Diamond 0.3052311E+01 Metallicity 0.7259377E+01 Ellipticity 0.4528561E-02 Gb(Abramov) 0.4083171E+00 Vb(Abramov) -0.5990464E+00 Hb(Abramov) -0.1907293E+00 Ex_ueg -0.1092034E+00 Ec_ueg -0.1433169E-01 Delta_ex -0.1049677E+00 Delta_ec 0.1924576E-01 Delta_et -0.2664477E+00 Pxc 0.7619715E+01 Qxc -0.5454067E+01 3,-1 172 3 -1 -3.964338 4.214744 -0.808324 Rho 0.3359770E+00 |GRAD(Rho)| 0.6356205E-15 GRAD(Rho)x -0.9588156E-16 GRAD(Rho)y 0.4625939E-15 GRAD(Rho)z 0.4252376E-15 Laplacian -0.1746450E+01 (-1/4)Del**2(Rho)) 0.4366126E+00 Diamond 0.6365204E+01 Metallicity -0.6406777E+01 Ellipticity 0.1071640E-02 Gb(Abramov) 0.1751381E+00 Vb(Abramov) -0.7868888E+00 Hb(Abramov) -0.6117507E+00 Ex_ueg -0.1725035E+00 Ec_ueg -0.2132710E-01 Delta_ex 0.1776297E+00 Delta_ec 0.6029576E-01 Delta_et -0.1462566E+01 Pxc 0.8088465E+01 Qxc 0.2945974E+01 3,-1 173 3 -1 -3.259716 -3.272797 0.057003 Rho 0.2149586E+00 |GRAD(Rho)| 0.3295504E-14 GRAD(Rho)x 0.2828683E-14 GRAD(Rho)y -0.1660347E-14 GRAD(Rho)z 0.3195957E-15 Laplacian 0.8042912E+00 (-1/4)Del**2(Rho)) -0.2010728E+00 Diamond 0.2486654E+01 Metallicity 0.6608830E+01 Ellipticity 0.1996333E-02 Gb(Abramov) 0.3555245E+00 Vb(Abramov) -0.5099762E+00 Hb(Abramov) -0.1544517E+00 Ex_ueg -0.9510240E-01 Ec_ueg -0.1272528E-01 Delta_ex -0.9440603E-01 Delta_ec 0.1829082E-01 Delta_et -0.2518145E+00 Pxc 0.7473504E+01 Qxc -0.5161389E+01 3,-1 174 3 -1 -3.036966 -2.028588 -0.897024 Rho 0.1186684E+00 |GRAD(Rho)| 0.9806160E-15 GRAD(Rho)x 0.3811038E-15 GRAD(Rho)y -0.5147792E-15 GRAD(Rho)z 0.7425430E-15 Laplacian 0.4848556E+00 (-1/4)Del**2(Rho)) -0.1212139E+00 Diamond 0.7628121E+00 Metallicity 0.4072797E+01 Ellipticity 0.1468749E-01 Gb(Abramov) 0.1630892E+00 Vb(Abramov) -0.2049645E+00 Hb(Abramov) -0.4187530E-01 Ex_ueg -0.4306905E-01 Ec_ueg -0.6469184E-02 Delta_ex -0.4948985E-01 Delta_ec 0.1353398E-01 Delta_et -0.1744542E+00 Pxc 0.6657572E+01 Qxc -0.3656711E+01 3,-1 175 3 -1 -2.810719 -1.844722 0.579338 Rho 0.1030469E+00 |GRAD(Rho)| 0.6561126E-14 GRAD(Rho)x 0.1355280E-14 GRAD(Rho)y -0.5292574E-14 GRAD(Rho)z -0.3633216E-14 Laplacian 0.4512545E+00 (-1/4)Del**2(Rho)) -0.1128136E+00 Diamond 0.6050812E+00 Metallicity 0.3458732E+01 Ellipticity 0.2075076E-01 Gb(Abramov) 0.1402411E+00 Vb(Abramov) -0.1676686E+00 Hb(Abramov) -0.2742747E-01 Ex_ueg -0.3568058E-01 Ec_ueg -0.5509992E-02 Delta_ex -0.4466556E-01 Delta_ec 0.1317927E-01 Delta_et -0.1655561E+00 Pxc 0.6475614E+01 Qxc -0.3389078E+01 3,-1 176 3 -1 0.051910 3.231695 3.221928 Rho 0.2394185E+00 |GRAD(Rho)| 0.9550510E-15 GRAD(Rho)x -0.1820918E-15 GRAD(Rho)y -0.7600257E-15 GRAD(Rho)z -0.5489316E-15 Laplacian 0.8702906E+00 (-1/4)Del**2(Rho)) -0.2175727E+00 Diamond 0.3071742E+01 Metallicity 0.7309342E+01 Ellipticity 0.3601596E-02 Gb(Abramov) 0.4101006E+00 Vb(Abramov) -0.6026285E+00 Hb(Abramov) -0.1925279E+00 Ex_ueg -0.1097982E+00 Ec_ueg -0.1439892E-01 Delta_ex -0.1050969E+00 Delta_ec 0.1926547E-01 Delta_et -0.2669534E+00 Pxc 0.7625446E+01 Qxc -0.5455193E+01 3,-1 177 3 -1 -0.593766 1.798866 -2.835872 Rho 0.1197234E+00 |GRAD(Rho)| 0.1129200E-12 GRAD(Rho)x 0.7491468E-13 GRAD(Rho)y 0.8322710E-13 GRAD(Rho)z 0.1455882E-13 Laplacian 0.5170882E+00 (-1/4)Del**2(Rho)) -0.1292721E+00 Diamond 0.8223867E+00 Metallicity 0.3875671E+01 Ellipticity 0.1630917E-01 Gb(Abramov) 0.1696840E+00 Vb(Abramov) -0.2100960E+00 Hb(Abramov) -0.4041197E-01 Ex_ueg -0.4358032E-01 Ec_ueg -0.6534597E-02 Delta_ex -0.5289242E-01 Delta_ec 0.1440827E-01 Delta_et -0.1860301E+00 Pxc 0.6669167E+01 Qxc -0.3670975E+01 3,-1 178 3 -1 -0.062412 3.228240 -3.289655 Rho 0.2165651E+00 |GRAD(Rho)| 0.2072962E-14 GRAD(Rho)x 0.2563325E-15 GRAD(Rho)y -0.1262120E-14 GRAD(Rho)z 0.1624352E-14 Laplacian 0.8102139E+00 (-1/4)Del**2(Rho)) -0.2025535E+00 Diamond 0.2527914E+01 Metallicity 0.6642437E+01 Ellipticity 0.2318093E-02 Gb(Abramov) 0.3592771E+00 Vb(Abramov) -0.5160007E+00 Hb(Abramov) -0.1567236E+00 Ex_ueg -0.9605122E-01 Ec_ueg -0.1283419E-01 Delta_ex -0.9528669E-01 Delta_ec 0.1839126E-01 Delta_et -0.2533284E+00 Pxc 0.7484013E+01 Qxc -0.5181085E+01 3,-1 179 3 -1 0.888264 1.990911 -3.051051 Rho 0.1129716E+00 |GRAD(Rho)| 0.5539474E-16 GRAD(Rho)x 0.1975958E-16 GRAD(Rho)y 0.4098962E-16 GRAD(Rho)z -0.3159094E-16 Laplacian 0.4668367E+00 (-1/4)Del**2(Rho)) -0.1167092E+00 Diamond 0.6934746E+00 Metallicity 0.3896998E+01 Ellipticity 0.1296477E-01 Gb(Abramov) 0.1536087E+00 Vb(Abramov) -0.1905082E+00 Hb(Abramov) -0.3689952E-01 Ex_ueg -0.4033457E-01 Ec_ueg -0.6117312E-02 Delta_ex -0.4712026E-01 Delta_ec 0.1320912E-01 Delta_et -0.1687586E+00 Pxc 0.6593511E+01 Qxc -0.3567252E+01 3,-1 180 3 -1 2.032351 0.842819 -3.034266 Rho 0.1549682E+00 |GRAD(Rho)| 0.5657224E-09 GRAD(Rho)x -0.2895943E-09 GRAD(Rho)y 0.4138502E-09 GRAD(Rho)z -0.2547646E-09 Laplacian 0.6016451E+00 (-1/4)Del**2(Rho)) -0.1504113E+00 Diamond 0.1266929E+01 Metallicity 0.5120869E+01 Ellipticity 0.2938222E-01 Gb(Abramov) 0.2286469E+00 Vb(Abramov) -0.3068826E+00 Hb(Abramov) -0.7823564E-01 Ex_ueg -0.6147640E-01 Ec_ueg -0.8762304E-02 Delta_ex -0.6512252E-01 Delta_ec 0.1512501E-01 Delta_et -0.2022001E+00 Pxc 0.7016009E+01 Qxc -0.4305617E+01 3,-1 181 3 -1 3.207306 3.232408 0.058663 Rho 0.2384004E+00 |GRAD(Rho)| 0.6726788E-15 GRAD(Rho)x -0.2662801E-15 GRAD(Rho)y -0.5914323E-15 GRAD(Rho)z -0.1783242E-15 Laplacian 0.8705249E+00 (-1/4)Del**2(Rho)) -0.2176312E+00 Diamond 0.3052253E+01 Metallicity 0.7255659E+01 Ellipticity 0.4786112E-02 Gb(Abramov) 0.4082638E+00 Vb(Abramov) -0.5988964E+00 Hb(Abramov) -0.1906326E+00 Ex_ueg -0.1091761E+00 Ec_ueg -0.1432861E-01 Delta_ex -0.1049836E+00 Delta_ec 0.1925087E-01 Delta_et -0.2665175E+00 Pxc 0.7619451E+01 Qxc -0.5453449E+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 79 120 107 105 138 136 131 98 137 132 106 101 124 133 177 110 179 141 178 104 134 140 79 109 176 154 161 147 162 152 171 127 164 155 163 156 181 60 80 87 81 90 59 82 175 84 174 83 173 92 74 97 61 91 67 73 70 93 76 64 72 139 169 146 165 158 168 144 160 159 170 180 167 142 115 125 121 166 118 172 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 18 22 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 20 24 54 2.396075 1.942329 1.900738 1.932318 1.963939 1.746451 2.423752 2.051718 2.010682 2.028608 1.972547 1.785810 2.435521 1.996959 2.012926 2.029600 2.021250 1.783196 2.443998 1.899395 1.946623 1.945212 1.937263 1.744474 2.418301 1.936394 1.904809 1.930133 1.963649 1.746013 2.414540 1.907917 1.959849 1.942434 1.925765 1.746054 2.313735 1.944435 1.905870 2.028698 2.004444 1.938022 2.429233 2.053955 2.019461 2.011369 1.976116 1.786133 2.408274 1.966553 1.922334 1.934292 1.916487 1.747320 2.435466 1.877981 1.958616 1.919421 1.984727 1.744572 2.444697 2.004281 2.010344 2.008822 2.010665 1.785366 2.399625 1.966464 1.879522 1.989455 1.912888 1.746468 1.699886 1.695740 1.700708 1.714900 3.271950 3.278021 0.976103 2.397907 1.942740 1.901065 1.932882 1.964530 1.746458 2.425718 2.051902 2.010955 2.028931 1.972883 1.785820 2.437530 1.997259 2.013044 2.029919 2.021562 1.783200 2.445443 1.899730 1.947071 1.945785 1.937687 1.744483 2.419854 1.936816 1.905139 1.930692 1.964246 1.746020 2.416219 1.908265 1.960278 1.942996 1.926321 1.746063 2.315396 1.944820 1.906153 2.029014 2.004825 1.939518 2.431179 2.054142 2.019740 2.011774 1.976446 1.786143 2.410132 1.966842 1.922679 1.934843 1.916991 1.747328 2.436838 1.878268 1.959046 1.919755 1.985356 1.744582 2.446704 2.004543 2.010598 2.009187 2.011036 1.785368 2.401365 1.966880 1.879808 1.990086 1.913376 1.746477 1.699889 1.695742 1.700712 1.714908 3.276891 3.284978 0.976253 30 25 25 28 26 23 27 26 26 25 25 24 29 28 25 26 27 23 27 27 28 25 25 24 27 25 25 25 24 23 30 26 26 25 25 23 27 24 24 24 26 24 27 26 25 26 25 24 27 25 25 25 25 21 27 24 24 24 26 22 30 27 25 25 25 25 27 24 24 28 26 23 21 23 23 24 35 35 21 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W Ta Ta W W W Ta Ta W W 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 O As H 2.4588 2.2372 2.2513 2.4582 2.4522 2.4570 2.4251 2.2378 2.4503 2.4510 2.2535 2.4574 -1.1193 -1.1177 -1.1220 -1.1295 -0.9679 -0.9691 -0.9809 -0.9803 -0.9696 -0.9777 -0.9891 -0.9691 -0.9920 -0.9778 -0.9699 -0.9793 -1.0007 -1.0026 -0.9833 -0.9935 -1.0012 -0.9957 -0.9833 -0.9980 -1.0276 -0.9955 -0.9822 -0.9985 -0.8224 -0.9236 -0.9184 -0.8187 -0.8219 -0.8218 -0.8008 -0.9248 -0.8291 -0.8183 -0.9231 -0.8222 2.5472 0.2815 2.0978 2.1036 2.0992 2.0966 2.0996 2.0994 2.0858 2.1037 2.1056 2.0996 2.0956 2.0988 1.9373 1.9379 1.9372 1.9345 1.9313 1.9297 1.9285 1.9291 1.9312 1.9297 1.9278 1.9297 1.9299 1.9294 1.9293 1.9290 1.9372 1.9365 1.9392 1.9388 1.9372 1.9382 1.9389 1.9378 1.9321 1.9372 1.9393 1.9372 1.9613 1.9442 1.9453 1.9624 1.9616 1.9614 1.8697 1.9440 1.9608 1.9626 1.9443 1.9616 0.8234 0.6112 6.0952 6.0722 6.0705 6.0954 6.0981 6.0956 6.0700 6.0718 6.0991 6.0973 6.0667 6.0943 5.1438 5.1419 5.1464 5.1569 5.0089 5.0105 5.0255 5.0239 5.0107 5.0204 5.0347 5.0106 5.0360 5.0212 5.0121 5.0230 5.0349 5.0379 5.0140 5.0260 5.0356 5.0284 5.0144 5.0315 5.0690 5.0298 5.0126 5.0331 4.8271 4.9519 4.9452 4.8219 4.8262 4.8263 4.9033 4.9534 4.8345 4.8213 4.9512 4.8265 1.0887 0.1073 3.3188 2.5530 2.5451 3.3204 3.3207 3.3186 2.3823 2.5527 3.3156 3.3228 2.5499 3.3202 0.0382 0.0379 0.0384 0.0382 0.0278 0.0288 0.0269 0.0273 0.0277 0.0276 0.0266 0.0289 0.0261 0.0272 0.0285 0.0272 0.0286 0.0282 0.0301 0.0286 0.0283 0.0291 0.0300 0.0287 0.0266 0.0285 0.0304 0.0283 0.0340 0.0275 0.0278 0.0344 0.0341 0.0341 0.0279 0.0274 0.0338 0.0344 0.0276 0.0340 10.5407 0.0000 14.0295 14.0340 14.0339 14.0294 14.0294 14.0294 14.0368 14.0340 14.0293 14.0293 14.0342 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 W Ta Ta W W W Ta Ta W W 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 O As H 2.505817 2.366452 2.368159 2.502605 2.503985 2.505047 2.432601 2.366020 2.503630 2.500543 2.368666 2.503168 -1.094329 -1.097400 -1.096655 -1.094267 -0.988651 -0.983157 -1.002440 -0.997680 -0.989658 -0.994674 -1.008816 -0.982383 -1.005673 -0.997073 -0.984743 -0.998283 -0.993990 -0.999323 -0.971902 -0.982293 -0.994424 -0.988082 -0.973454 -0.993523 -1.030329 -0.989229 -0.970785 -0.993120 -0.864135 -1.001776 -0.992602 -0.858975 -0.863223 -0.863613 -0.617966 -1.003402 -0.871158 -0.858085 -1.000027 -0.863248 2.321940 0.105917 1.932137 1.849554 1.848449 1.929815 1.931218 1.932123 1.761464 1.848142 1.934203 1.931419 1.846504 1.933863 -0.732782 -0.736533 -0.735896 -0.719349 -0.762243 -0.734046 -0.729856 -0.761384 -0.761268 -0.761787 -0.765967 -0.732842 -0.752594 -0.761954 -0.738117 -0.761847 -0.835136 -0.840086 -0.805914 -0.803793 -0.836387 -0.831926 -0.805212 -0.836461 -0.871567 -0.808324 -0.801563 -0.836603 -0.775668 -0.932511 -0.920536 -0.768915 -0.774099 -0.775109 -0.814862 -0.935159 -0.782419 -0.766269 -0.930220 -0.772587 1.729102 0.401797 2.043713 1.964858 1.962364 2.040134 2.042297 2.044173 1.953401 1.964313 2.046709 2.038985 1.960793 2.043050 -0.803368 -0.805227 -0.803738 -0.794586 -0.838788 -0.815726 -0.837389 -0.843110 -0.837412 -0.841348 -0.849279 -0.815395 -0.858028 -0.842390 -0.822668 -0.842558 -0.868318 -0.874678 -0.839798 -0.845006 -0.869243 -0.862050 -0.842198 -0.866364 -0.911969 -0.849965 -0.838240 -0.871164 -0.740089 -0.907817 -0.895728 -0.733032 -0.738487 -0.739721 -0.801793 -0.910175 -0.747420 -0.731646 -0.906835 -0.738103 1.666114 0.409943 -4.62675404 9.87701507 1.71157490 11.04046051 11.48236359 -40.95705897 -7.17354945 7.99804724 -10.93669301 -19.48041082 -395.1853 431.7780 -33.1316 -428.5822 -57.9467 -483.0680 Jun20-2024 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 Jun20-2024 07:19:38 Nodes: 1 Procs: 1 Jun20-2024 07:19:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:19:43 Nodes: 1 Procs: 1 Jun20-2024 07:19:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:19:49 Nodes: 1 Procs: 1 Jun20-2024 07:19:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 07:19:52 Nodes: 1 Procs: 1 Jun20-2024 07:19:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 07:19:59 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -17.29695522 -17.62888047 -17.63137755 -17.73543575 -17.74469969 -17.74824909 -17.74940531 -17.75014410 -17.75064644 -17.75193882 -17.75201743 -17.75225830 -17.75230787 -17.75235921 -17.75236873 -17.75236580 -17.75236291 -17.75236080 -17.75236279 -17.75236815 -17.75238133 -17.75239570 -17.75240328 -17.75240849 -17.75241271 -17.75242107 GEOMETRY CONVERGED