ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:28 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.03 0.90 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 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 1.34 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 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:49 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.08 0.04 1.47 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.00 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 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:01 Nodes: 1 Procs: 1 Jun10-2024 15:29:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:12 Hydrogen (TZP) c11-12 c11-12 c11-12 c11-12 c11-12 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.79 0.07 2.35 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 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:01 Nodes: 1 Procs: 1 Jun10-2024 15:29:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:12 Nodes: 1 Procs: 1 Jun10-2024 15:29:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:26 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2281.6382000000003 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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.Mo ADF 2019.304 Jun10-2024 15:28:54 1 1 Molybdenum TZP 3d t21.As ADF 2019.304 Jun10-2024 15:28:43 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun10-2024 15:29:17 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun10-2024 15:29:06 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun10-2024 15:28:33 1 1 Hydrogen TZP 1 1 -15.82532200 0.29570527 0.00100000 F 0.10079215 0.00066667 F 0.29570527 0.10079215 0.26748963 0.01000000 F 0.06344176 0.00666667 F Cartesian 2281.6382000000003 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-2.704424 2.502890 0.003718 -2.655550 0.938391 -1.059840 0.903233 -1.076436 -1.031186 -1.054999 0.966460 0.898322 -1.026525 -0.956806 0.956644 0.967611 -3.012168 -1.126364 1.161798 3.034938 -1.150040 -1.150483 -2.986168 1.113307 -1.084126 2.986005 1.193562 1.207804 1.360801 -1.162785 -3.284328 1.090232 1.164326 2.996655 -1.135275 1.132070 -3.006540 -1.174255 -1.141747 3.046886 -1.137180 2.985761 -1.120480 -1.196358 -3.000524 1.215276 1.145664 3.049649 1.141745 1.248429 -3.267827 -1.076646 3.402159 -1.473231 1.593659 -3.486107 -1.564468 -1.571664 3.452754 1.551344 -1.455782 -3.429541 1.491799 1.568326 1.432126 -1.472960 3.451482 1.550820 1.562783 -3.406114 -1.523044 1.553717 3.460661 -1.843751 -1.433403 -3.802399 -1.634190 -3.681681 -1.242350 -1.529944 3.382801 1.525310 1.559504 -3.435896 1.608056 1.502950 3.409335 -1.467520 -0.226813 -3.779854 3.758158 3.874782 -0.130230 -3.740479 -0.211337 3.744566 -3.701485 0.238607 3.789031 3.721118 3.832539 -3.727479 -0.170119 3.786668 3.759172 0.231782 -3.787757 3.678274 -0.217435 -3.956101 -3.614412 0.283203 -3.861048 0.387630 -3.624020 -3.722775 -0.203776 3.838264 3.691871 0.208003 3.824928 -0.676162 -3.420072 -1.247692 1 3 -3 0.106639 -2.626173 2.507022 Rho 0.1240649E+06 3,-3 2 3 -3 2.498621 -2.612929 -0.029493 Rho 0.1240648E+06 3,-3 3 3 -3 -2.695896 -2.491700 -0.104340 Rho 0.1240649E+06 3,-3 4 3 -3 -2.497807 0.135305 2.660293 Rho 0.1240649E+06 3,-3 5 3 -3 2.548135 -0.166717 2.575606 Rho 0.1240650E+06 3,-3 6 3 -3 -0.070876 -0.089467 -0.073428 Rho 0.4276087E+05 3,-3 7 3 -3 0.114680 2.518957 -2.508484 Rho 0.4361414E+07 3,-3 8 3 -3 -0.065076 2.579601 2.500605 Rho 0.4361414E+07 3,-3 9 3 -3 2.617883 2.516631 -0.126156 Rho 0.4361415E+07 3,-3 10 3 -3 -2.583348 2.450773 0.097879 Rho 0.4361414E+07 3,-3 11 3 -3 -2.499829 -0.231622 -2.704424 Rho 0.4361414E+07 3,-3 12 3 -3 2.502890 0.003718 -2.655550 Rho 0.4361415E+07 3,-3 13 3 -3 0.938391 -1.059840 0.903233 Rho 0.3190408E+03 3,-3 14 3 -3 -1.076436 -1.031186 -1.054999 Rho 0.3190877E+03 3,-3 15 3 -3 0.966460 0.898322 -1.026525 Rho 0.3190174E+03 3,-3 16 3 -3 -0.956806 0.956644 0.967611 Rho 0.3190111E+03 3,-3 17 3 -3 -3.012168 -1.126364 1.161798 Rho 0.3190274E+03 3,-3 18 3 -3 3.034938 -1.150040 -1.150483 Rho 0.3188956E+03 3,-3 19 3 -3 -2.986168 1.113307 -1.084126 Rho 0.3189908E+03 3,-3 20 3 -3 2.986005 1.193562 1.207804 Rho 0.3189048E+03 3,-3 21 3 -3 1.360801 -1.162785 -3.284328 Rho 0.3193384E+03 3,-3 22 3 -3 1.090232 1.164326 2.996655 Rho 0.3189421E+03 3,-3 23 3 -3 -1.135275 1.132070 -3.006540 Rho 0.3188234E+03 3,-3 24 3 -3 -1.174255 -1.141747 3.046886 Rho 0.3190367E+03 3,-3 25 3 -3 -1.137180 2.985761 -1.120480 Rho 0.3188606E+03 3,-3 26 3 -3 -1.196358 -3.000524 1.215276 Rho 0.3190438E+03 3,-3 27 3 -3 1.145664 3.049649 1.141745 Rho 0.3188924E+03 3,-3 28 3 -3 1.248429 -3.267827 -1.076646 Rho 0.3193965E+03 3,-3 29 3 -3 3.402159 -1.473231 1.593659 Rho 0.3191616E+03 3,-3 30 3 -3 -3.486107 -1.564468 -1.571664 Rho 0.3190012E+03 3,-3 31 3 -3 3.452754 1.551344 -1.455782 Rho 0.3190344E+03 3,-3 32 3 -3 -3.429541 1.491799 1.568326 Rho 0.3190057E+03 3,-3 33 3 -3 1.432126 -1.472960 3.451482 Rho 0.3190694E+03 3,-3 34 3 -3 1.550820 1.562783 -3.406114 Rho 0.3189247E+03 3,-3 35 3 -3 -1.523044 1.553717 3.460661 Rho 0.3190392E+03 3,-3 36 3 -3 -1.843751 -1.433403 -3.802399 Rho 0.3192840E+03 3,-3 37 3 -3 -1.634190 -3.681681 -1.242350 Rho 0.3188029E+03 3,-3 38 3 -3 -1.529944 3.382801 1.525310 Rho 0.3189590E+03 3,-3 39 3 -3 1.559504 -3.435896 1.608056 Rho 0.3190890E+03 3,-3 40 3 -3 1.502950 3.409335 -1.467520 Rho 0.3189322E+03 3,-3 41 3 -3 -0.226813 -3.779854 3.758158 Rho 0.3194375E+03 3,-3 42 3 -3 3.874782 -0.130230 -3.740479 Rho 0.3192499E+03 3,-3 43 3 -3 -0.211337 3.744566 -3.701485 Rho 0.3193087E+03 3,-3 44 3 -3 0.238607 3.789031 3.721118 Rho 0.3192872E+03 3,-3 45 3 -3 3.832539 -3.727479 -0.170119 Rho 0.3193957E+03 3,-3 46 3 -3 3.786668 3.759172 0.231782 Rho 0.3192921E+03 3,-3 47 3 -3 -3.787757 3.678274 -0.217435 Rho 0.3192757E+03 3,-3 48 3 -3 -3.956101 -3.614412 0.283203 Rho 0.3194484E+03 3,-3 49 3 -3 -3.861048 0.387630 -3.624020 Rho 0.3192529E+03 3,-3 50 3 -3 -3.722775 -0.203776 3.838264 Rho 0.3194363E+03 3,-3 51 3 -3 3.691871 0.208003 3.824928 Rho 0.3194256E+03 3,-3 52 3 -3 -0.676162 -3.420072 -1.247692 Rho 0.4468331E+00 3,-3 53 3 +1 -0.574829 0.485169 -1.683154 Rho 0.9467715E-02 |GRAD(Rho)| 0.2974870E-17 GRAD(Rho)x 0.6511797E-18 GRAD(Rho)y -0.2877874E-17 GRAD(Rho)z -0.3790208E-18 Laplacian 0.3691216E-01 (-1/4)Del**2(Rho)) -0.9228039E-02 Diamond 0.1140296E-02 Metallicity 0.7910168E+00 Ellipticity -0.1503620E+01 Gb(Abramov) 0.7368615E-02 Vb(Abramov) -0.5509191E-02 Hb(Abramov) 0.1859424E-02 Ex_ueg -0.1479263E-02 Ec_ueg -0.3439694E-03 Delta_ex -0.1733603E-02 Delta_ec 0.5293977E-03 Delta_et -0.3700806E-02 Pxc 0.4300565E+01 Qxc -0.3274671E+01 3,+1 54 3 +1 -2.262374 -1.337396 -1.215649 Rho 0.2967620E-01 |GRAD(Rho)| 0.1317003E-16 GRAD(Rho)x 0.8433643E-17 GRAD(Rho)y 0.1171104E-17 GRAD(Rho)z 0.1004749E-16 Laplacian 0.1244754E+00 (-1/4)Del**2(Rho)) -0.3111885E-01 Diamond 0.2264572E-01 Metallicity 0.1574745E+01 Ellipticity -0.8392054E+01 Gb(Abramov) 0.2891327E-01 Vb(Abramov) -0.2670770E-01 Hb(Abramov) 0.2205576E-02 Ex_ueg -0.6785723E-02 Ec_ueg -0.1326917E-02 Delta_ex -0.8281775E-02 Delta_ec 0.2425149E-02 Delta_et -0.2227955E-01 Pxc 0.5113900E+01 Qxc -0.3414955E+01 3,+1 55 3 +1 -1.669015 0.494785 -0.530360 Rho 0.1012110E-01 |GRAD(Rho)| 0.1529063E-16 GRAD(Rho)x 0.3237095E-17 GRAD(Rho)y 0.6762367E-17 GRAD(Rho)z 0.1332648E-16 Laplacian 0.3855863E-01 (-1/4)Del**2(Rho)) -0.9639658E-02 Diamond 0.1304630E-02 Metallicity 0.8463255E+00 Ellipticity -0.1569865E+01 Gb(Abramov) 0.7786153E-02 Vb(Abramov) -0.5932649E-02 Hb(Abramov) 0.1853505E-02 Ex_ueg -0.1616920E-02 Ec_ueg -0.3735421E-03 Delta_ex -0.1841997E-02 Delta_ec 0.5529258E-03 Delta_et -0.3931988E-02 Pxc 0.4328614E+01 Qxc -0.3331364E+01 3,+1 56 3 +3 2.331499 -0.016255 0.044329 Rho 0.4146122E-02 |GRAD(Rho)| 0.2599835E-17 GRAD(Rho)x -0.2895951E-18 GRAD(Rho)y -0.6403172E-18 GRAD(Rho)z 0.2503052E-17 Laplacian 0.1702561E-01 (-1/4)Del**2(Rho)) -0.4256402E-02 Diamond 0.1369075E-03 Metallicity 0.4330925E+00 Ellipticity -0.3110230E+00 Gb(Abramov) 0.3144837E-02 Vb(Abramov) -0.2033272E-02 Hb(Abramov) 0.1111565E-02 Ex_ueg -0.4919351E-03 Ec_ueg -0.1103541E-03 Delta_ex -0.6120898E-03 Delta_ec 0.1704865E-03 Delta_et -0.1025406E-02 Pxc 0.4457789E+01 Qxc -0.3590254E+01 3,+3 57 3 +1 0.321005 -1.947915 -0.757967 Rho 0.5761503E-02 |GRAD(Rho)| 0.1738646E-16 GRAD(Rho)x 0.1229462E-16 GRAD(Rho)y 0.5084645E-17 GRAD(Rho)z 0.1119275E-16 Laplacian 0.2237326E-01 (-1/4)Del**2(Rho)) -0.5593314E-02 Diamond 0.5495757E-03 Metallicity 0.5703091E+00 Ellipticity -0.2254724E+01 Gb(Abramov) 0.4260529E-02 Vb(Abramov) -0.2927744E-02 Hb(Abramov) 0.1332785E-02 Ex_ueg -0.7628388E-03 Ec_ueg -0.1798292E-03 Delta_ex -0.1080711E-02 Delta_ec 0.5923159E-03 Delta_et -0.3401001E-02 Pxc 0.4242020E+01 Qxc -0.1824552E+01 3,+1 58 3 -1 -1.905170 -2.741258 0.584737 Rho 0.9835600E-01 |GRAD(Rho)| 0.1230835E-15 GRAD(Rho)x 0.8352422E-16 GRAD(Rho)y -0.2947675E-16 GRAD(Rho)z -0.8546562E-16 Laplacian 0.3973276E+00 (-1/4)Del**2(Rho)) -0.9933190E-01 Diamond 0.4807038E+00 Metallicity 0.3634677E+01 Ellipticity 0.1639843E-01 Gb(Abramov) 0.1263945E+00 Vb(Abramov) -0.1534571E+00 Hb(Abramov) -0.2706260E-01 Ex_ueg -0.3353149E-01 Ec_ueg -0.5225572E-02 Delta_ex -0.3850735E-01 Delta_ec 0.1100516E-01 Delta_et -0.1361186E+00 Pxc 0.6416807E+01 Qxc -0.3499028E+01 3,-1 59 3 -1 -3.233934 3.113732 -0.071681 Rho 0.2368895E+00 |GRAD(Rho)| 0.1542349E-13 GRAD(Rho)x 0.8930573E-15 GRAD(Rho)y -0.1485314E-13 GRAD(Rho)z -0.4058413E-14 Laplacian 0.8754123E+00 (-1/4)Del**2(Rho)) -0.2188531E+00 Diamond 0.3034841E+01 Metallicity 0.7139100E+01 Ellipticity 0.7942185E-02 Gb(Abramov) 0.4063043E+00 Vb(Abramov) -0.5937556E+00 Hb(Abramov) -0.1874513E+00 Ex_ueg -0.1082545E+00 Ec_ueg -0.1422436E-01 Delta_ex -0.1053376E+00 Delta_ec 0.1928748E-01 Delta_et -0.2664941E+00 Pxc 0.7610504E+01 Qxc -0.5461450E+01 3,-1 60 3 -1 -1.811215 2.720732 -0.547733 Rho 0.1316379E+00 |GRAD(Rho)| 0.1727186E-12 GRAD(Rho)x 0.1125685E-12 GRAD(Rho)y 0.1298748E-12 GRAD(Rho)z 0.1710494E-13 Laplacian 0.5454487E+00 (-1/4)Del**2(Rho)) -0.1363622E+00 Diamond 0.9495002E+00 Metallicity 0.4303554E+01 Ellipticity 0.9815601E-02 Gb(Abramov) 0.1887151E+00 Vb(Abramov) -0.2410681E+00 Hb(Abramov) -0.5235295E-01 Ex_ueg -0.4945682E-01 Ec_ueg -0.7278651E-02 Delta_ex -0.5679641E-01 Delta_ec 0.1438502E-01 Delta_et -0.1879659E+00 Pxc 0.6794778E+01 Qxc -0.3948302E+01 3,-1 61 3 -1 -3.092109 -1.991494 -0.883569 Rho 0.1472813E+00 |GRAD(Rho)| 0.1607418E-13 GRAD(Rho)x -0.1406142E-13 GRAD(Rho)y -0.7447290E-14 GRAD(Rho)z 0.2278993E-14 Laplacian 0.5673907E+00 (-1/4)Del**2(Rho)) -0.1418477E+00 Diamond 0.1118019E+01 Metallicity 0.4988578E+01 Ellipticity 0.8262010E-01 Gb(Abramov) 0.2125015E+00 Vb(Abramov) -0.2831553E+00 Hb(Abramov) -0.7065381E-01 Ex_ueg -0.5744449E-01 Ec_ueg -0.8269703E-02 Delta_ex -0.6058985E-01 Delta_ec 0.1433724E-01 Delta_et -0.1900877E+00 Pxc 0.6946379E+01 Qxc -0.4226047E+01 3,-1 62 3 +1 -0.542223 -0.586508 1.664946 Rho 0.8070694E-02 |GRAD(Rho)| 0.1221446E-10 GRAD(Rho)x 0.3290134E-11 GRAD(Rho)y -0.1088290E-10 GRAD(Rho)z 0.4464345E-11 Laplacian 0.3127683E-01 (-1/4)Del**2(Rho)) -0.7819206E-02 Diamond 0.7816903E-03 Metallicity 0.7154435E+00 Ellipticity -0.1445629E+01 Gb(Abramov) 0.6145171E-02 Vb(Abramov) -0.4471136E-02 Hb(Abramov) 0.1674035E-02 Ex_ueg -0.1195638E-02 Ec_ueg -0.2813601E-03 Delta_ex -0.1413018E-02 Delta_ec 0.4524324E-03 Delta_et -0.3031960E-02 Pxc 0.4249493E+01 Qxc -0.3123160E+01 3,+1 63 3 -1 -3.004995 -0.933230 -2.091828 Rho 0.1214317E+00 |GRAD(Rho)| 0.3085208E-13 GRAD(Rho)x -0.2626026E-13 GRAD(Rho)y 0.3057924E-14 GRAD(Rho)z -0.1590277E-13 Laplacian 0.4657760E+00 (-1/4)Del**2(Rho)) -0.1164440E+00 Diamond 0.7455980E+00 Metallicity 0.4405443E+01 Ellipticity 0.2975182E-01 Gb(Abramov) 0.1631272E+00 Vb(Abramov) -0.2098105E+00 Hb(Abramov) -0.4668323E-01 Ex_ueg -0.4441141E-01 Ec_ueg -0.6640686E-02 Delta_ex -0.4769922E-01 Delta_ec 0.1274988E-01 Delta_et -0.1647401E+00 Pxc 0.6687774E+01 Qxc -0.3741150E+01 3,-1 64 3 +1 -2.910029 -0.308143 -0.288197 Rho 0.5939850E-02 |GRAD(Rho)| 0.5205688E-14 GRAD(Rho)x 0.4214625E-14 GRAD(Rho)y 0.3035492E-14 GRAD(Rho)z -0.3491517E-15 Laplacian 0.2490472E-01 (-1/4)Del**2(Rho)) -0.6226179E-02 Diamond 0.5390142E-03 Metallicity 0.5390437E+00 Ellipticity -0.1485796E+01 Gb(Abramov) 0.4710150E-02 Vb(Abramov) -0.3194121E-02 Hb(Abramov) 0.1516029E-02 Ex_ueg -0.7944849E-03 Ec_ueg -0.1875799E-03 Delta_ex -0.1138057E-02 Delta_ec 0.5296765E-03 Delta_et -0.3129584E-02 Pxc 0.4235448E+01 Qxc -0.2148589E+01 3,+1 65 3 +1 -2.016188 1.990570 2.041001 Rho 0.1238515E-01 |GRAD(Rho)| 0.3222172E-16 GRAD(Rho)x -0.2368610E-16 GRAD(Rho)y -0.1987909E-16 GRAD(Rho)z -0.9057009E-17 Laplacian 0.5806490E-01 (-1/4)Del**2(Rho)) -0.1451623E-01 Diamond 0.1872569E-02 Metallicity 0.7868070E+00 Ellipticity -0.1099893E+01 Gb(Abramov) 0.1158106E-01 Vb(Abramov) -0.8645898E-02 Hb(Abramov) 0.2935164E-02 Ex_ueg -0.2116346E-02 Ec_ueg -0.4773779E-03 Delta_ex -0.2723698E-02 Delta_ec 0.4780838E-03 Delta_et -0.3820756E-02 Pxc 0.4433272E+01 Qxc -0.5697114E+01 3,+1 66 3 +1 -2.921124 0.207135 0.274046 Rho 0.6239794E-02 |GRAD(Rho)| 0.1320967E-16 GRAD(Rho)x 0.1561370E-17 GRAD(Rho)y 0.1102830E-16 GRAD(Rho)z -0.7101689E-17 Laplacian 0.2632352E-01 (-1/4)Del**2(Rho)) -0.6580881E-02 Diamond 0.7176063E-03 Metallicity 0.5536300E+00 Ellipticity -0.2053601E+01 Gb(Abramov) 0.4994483E-02 Vb(Abramov) -0.3408085E-02 Hb(Abramov) 0.1586398E-02 Ex_ueg -0.8484223E-03 Ec_ueg -0.2006503E-03 Delta_ex -0.1291319E-02 Delta_ec 0.6939618E-03 Delta_et -0.4080287E-02 Pxc 0.4228364E+01 Qxc -0.1860793E+01 3,+1 67 3 -1 -2.924974 0.013916 0.063392 Rho 0.6349984E-02 |GRAD(Rho)| 0.4699364E-17 GRAD(Rho)x -0.1274113E-17 GRAD(Rho)y -0.3730111E-17 GRAD(Rho)z 0.2558696E-17 Laplacian 0.2543356E-01 (-1/4)Del**2(Rho)) -0.6358389E-02 Diamond 0.9643360E-03 Metallicity 0.5899661E+00 Ellipticity 0.1105263E+01 Gb(Abramov) 0.4864132E-02 Vb(Abramov) -0.3369874E-02 Hb(Abramov) 0.1494257E-02 Ex_ueg -0.8684574E-03 Ec_ueg -0.2054628E-03 Delta_ex -0.1424067E-02 Delta_ec 0.9772014E-03 Delta_et -0.5632088E-02 Pxc 0.4226835E+01 Qxc -0.1457291E+01 3,-1 68 3 -1 -2.750943 -0.525665 1.868761 Rho 0.1073870E+00 |GRAD(Rho)| 0.5586826E-16 GRAD(Rho)x -0.3677817E-16 GRAD(Rho)y -0.3424724E-16 GRAD(Rho)z 0.2440810E-16 Laplacian 0.4398499E+00 (-1/4)Del**2(Rho)) -0.1099625E+00 Diamond 0.5928148E+00 Metallicity 0.3800973E+01 Ellipticity 0.7336187E-02 Gb(Abramov) 0.1429690E+00 Vb(Abramov) -0.1759756E+00 Hb(Abramov) -0.3300656E-01 Ex_ueg -0.3769819E-01 Ec_ueg -0.5774661E-02 Delta_ex -0.4353368E-01 Delta_ec 0.1197972E-01 Delta_et -0.1507579E+00 Pxc 0.6528209E+01 Qxc -0.3633948E+01 3,-1 69 3 -1 -1.699737 0.535554 1.778882 Rho 0.4117032E-01 |GRAD(Rho)| 0.2160034E-12 GRAD(Rho)x -0.1351400E-12 GRAD(Rho)y -0.1613035E-12 GRAD(Rho)z -0.4874249E-13 Laplacian 0.1696005E+00 (-1/4)Del**2(Rho)) -0.4240012E-01 Diamond 0.6728108E-01 Metallicity 0.1994465E+01 Ellipticity 0.1091232E-01 Gb(Abramov) 0.4236101E-01 Vb(Abramov) -0.4232189E-01 Hb(Abramov) 0.3911092E-04 Ex_ueg -0.1049939E-01 Ec_ueg -0.1932955E-02 Delta_ex -0.1336895E-01 Delta_ec 0.5186576E-02 Delta_et -0.5196414E-01 Pxc 0.5431783E+01 Qxc -0.2577607E+01 3,-1 70 3 -1 -3.235763 0.102564 -3.199777 Rho 0.2325502E+00 |GRAD(Rho)| 0.1398987E-12 GRAD(Rho)x 0.8349961E-13 GRAD(Rho)y -0.1006136E-12 GRAD(Rho)z -0.4976325E-13 Laplacian 0.8650285E+00 (-1/4)Del**2(Rho)) -0.2162571E+00 Diamond 0.2938460E+01 Metallicity 0.7005580E+01 Ellipticity 0.2273079E-01 Gb(Abramov) 0.3966725E+00 Vb(Abramov) -0.5770879E+00 Hb(Abramov) -0.1804154E+00 Ex_ueg -0.1056187E+00 Ec_ueg -0.1392565E-01 Delta_ex -0.1036186E+00 Delta_ec 0.1921822E-01 Delta_et -0.2655918E+00 Pxc 0.7584470E+01 Qxc -0.5391686E+01 3,-1 71 3 -1 -3.152580 -0.045229 3.289203 Rho 0.2299025E+00 |GRAD(Rho)| 0.6584488E-13 GRAD(Rho)x 0.4695560E-13 GRAD(Rho)y 0.1362703E-13 GRAD(Rho)z -0.4410242E-13 Laplacian 0.8298670E+00 (-1/4)Del**2(Rho)) -0.2074668E+00 Diamond 0.2797419E+01 Metallicity 0.7164361E+01 Ellipticity 0.2971378E-02 Gb(Abramov) 0.3860389E+00 Vb(Abramov) -0.5646111E+00 Hb(Abramov) -0.1785722E+00 Ex_ueg -0.1040183E+00 Ec_ueg -0.1374389E-01 Delta_ex -0.9920669E-01 Delta_ec 0.1866964E-01 Delta_et -0.2586021E+00 Pxc 0.7568331E+01 Qxc -0.5313797E+01 3,-1 72 3 -1 -2.742998 0.474382 -1.846763 Rho 0.8084482E-01 |GRAD(Rho)| 0.1594772E-13 GRAD(Rho)x 0.2119868E-14 GRAD(Rho)y -0.1009638E-13 GRAD(Rho)z -0.1216137E-13 Laplacian 0.3428057E+00 (-1/4)Del**2(Rho)) -0.8570141E-01 Diamond 0.3303615E+00 Metallicity 0.3038451E+01 Ellipticity 0.4485204E-02 Gb(Abramov) 0.1005342E+00 Vb(Abramov) -0.1153670E+00 Hb(Abramov) -0.1483278E-01 Ex_ueg -0.2581793E-01 Ec_ueg -0.4180144E-02 Delta_ex -0.3183072E-01 Delta_ec 0.1002962E-01 Delta_et -0.1191462E+00 Pxc 0.6176324E+01 Qxc -0.3173672E+01 3,-1 73 3 -1 -2.969895 0.847791 2.069126 Rho 0.1247525E+00 |GRAD(Rho)| 0.2384080E-15 GRAD(Rho)x -0.1542684E-15 GRAD(Rho)y 0.5204848E-16 GRAD(Rho)z -0.1741568E-15 Laplacian 0.4884536E+00 (-1/4)Del**2(Rho)) -0.1221134E+00 Diamond 0.7831138E+00 Metallicity 0.4394119E+01 Ellipticity 0.5021469E-01 Gb(Abramov) 0.1708390E+00 Vb(Abramov) -0.2195647E+00 Hb(Abramov) -0.4872566E-01 Ex_ueg -0.4603808E-01 Ec_ueg -0.6847487E-02 Delta_ex -0.5003092E-01 Delta_ec 0.1272849E-01 Delta_et -0.1642911E+00 Pxc 0.6723355E+01 Qxc -0.3930625E+01 3,-1 74 3 -1 -3.015200 1.932476 0.881085 Rho 0.1414324E+00 |GRAD(Rho)| 0.2415573E-15 GRAD(Rho)x 0.9141180E-16 GRAD(Rho)y 0.5711035E-16 GRAD(Rho)z -0.2161764E-15 Laplacian 0.5480303E+00 (-1/4)Del**2(Rho)) -0.1370076E+00 Diamond 0.1043361E+01 Metallicity 0.4827512E+01 Ellipticity 0.3739692E-01 Gb(Abramov) 0.2015727E+00 Vb(Abramov) -0.2661378E+00 Hb(Abramov) -0.6456510E-01 Ex_ueg -0.5442314E-01 Ec_ueg -0.7897340E-02 Delta_ex -0.5810371E-01 Delta_ec 0.1427172E-01 Delta_et -0.1887285E+00 Pxc 0.6891325E+01 Qxc -0.4071248E+01 3,-1 75 3 -1 -2.785046 1.729218 -0.536835 Rho 0.1872445E+00 |GRAD(Rho)| 0.1701768E-15 GRAD(Rho)x 0.1084473E-15 GRAD(Rho)y 0.1194791E-15 GRAD(Rho)z 0.5407458E-16 Laplacian 0.7706444E+00 (-1/4)Del**2(Rho)) -0.1926611E+00 Diamond 0.2008721E+01 Metallicity 0.5479919E+01 Ellipticity 0.1591552E-01 Gb(Abramov) 0.3044019E+00 Vb(Abramov) -0.4161428E+00 Hb(Abramov) -0.1117408E+00 Ex_ueg -0.7911589E-01 Ec_ueg -0.1086898E-01 Delta_ex -0.8724679E-01 Delta_ec 0.1807667E-01 Delta_et -0.2458234E+00 Pxc 0.7279054E+01 Qxc -0.4826486E+01 3,-1 76 3 +1 -2.159701 1.070059 1.398181 Rho 0.2652221E-01 |GRAD(Rho)| 0.4983717E-16 GRAD(Rho)x 0.4131552E-17 GRAD(Rho)y -0.4265764E-16 GRAD(Rho)z -0.2543618E-16 Laplacian 0.1038793E+00 (-1/4)Del**2(Rho)) -0.2596982E-01 Diamond 0.1435846E-01 Metallicity 0.1564710E+01 Ellipticity -0.3428428E+01 Gb(Abramov) 0.2408575E-01 Vb(Abramov) -0.2220168E-01 Hb(Abramov) 0.1884069E-02 Ex_ueg -0.5841593E-02 Ec_ueg -0.1165656E-02 Delta_ex -0.6525609E-02 Delta_ec 0.1694690E-02 Delta_et -0.1518898E-01 Pxc 0.5011420E+01 Qxc -0.3850622E+01 3,+1 77 3 +3 -1.925766 1.898695 1.953875 Rho 0.1233703E-01 |GRAD(Rho)| 0.1026158E-14 GRAD(Rho)x 0.5973176E-15 GRAD(Rho)y -0.5811610E-15 GRAD(Rho)z -0.5987179E-15 Laplacian 0.5705064E-01 (-1/4)Del**2(Rho)) -0.1426266E-01 Diamond 0.1435939E-02 Metallicity 0.7956167E+00 Ellipticity -0.8555251E+00 Gb(Abramov) 0.1139971E-01 Vb(Abramov) -0.8536756E-02 Hb(Abramov) 0.2862951E-02 Ex_ueg -0.2105391E-02 Ec_ueg -0.4751499E-03 Delta_ex -0.2563473E-02 Delta_ec 0.2738028E-03 Delta_et -0.2420282E-02 Pxc 0.4431003E+01 Qxc -0.9362478E+01 3,+3 78 3 -1 -2.109620 -3.101087 -0.693543 Rho 0.1328599E+00 |GRAD(Rho)| 0.4012706E-12 GRAD(Rho)x -0.2285880E-12 GRAD(Rho)y 0.2370258E-12 GRAD(Rho)z 0.2293129E-12 Laplacian 0.4868002E+00 (-1/4)Del**2(Rho)) -0.1217000E+00 Diamond 0.8649713E+00 Metallicity 0.4896876E+01 Ellipticity 0.1269547E+00 Gb(Abramov) 0.1804584E+00 Vb(Abramov) -0.2392167E+00 Hb(Abramov) -0.5875832E-01 Ex_ueg -0.5006994E-01 Ec_ueg -0.7355505E-02 Delta_ex -0.5089751E-01 Delta_ec 0.1297938E-01 Delta_et -0.1701756E+00 Pxc 0.6807138E+01 Qxc -0.3921412E+01 3,-1 79 3 +1 -0.653988 -1.695367 0.486089 Rho 0.8831963E-02 |GRAD(Rho)| 0.1211703E-16 GRAD(Rho)x 0.4692794E-17 GRAD(Rho)y -0.1116510E-16 GRAD(Rho)z -0.3749113E-18 Laplacian 0.3334223E-01 (-1/4)Del**2(Rho)) -0.8335556E-02 Diamond 0.9597875E-03 Metallicity 0.7799150E+00 Ellipticity -0.1545424E+01 Gb(Abramov) 0.6640542E-02 Vb(Abramov) -0.4945527E-02 Hb(Abramov) 0.1695015E-02 Ex_ueg -0.1348325E-02 Ec_ueg -0.3153707E-03 Delta_ex -0.1548533E-02 Delta_ec 0.4959975E-03 Delta_et -0.3391774E-02 Pxc 0.4275367E+01 Qxc -0.3122059E+01 3,+1 80 3 +1 -0.050855 -2.295191 -1.037934 Rho 0.5927266E-02 |GRAD(Rho)| 0.3143501E-16 GRAD(Rho)x -0.2411308E-16 GRAD(Rho)y -0.1997468E-16 GRAD(Rho)z -0.2780520E-17 Laplacian 0.2274155E-01 (-1/4)Del**2(Rho)) -0.5685387E-02 Diamond 0.6538175E-03 Metallicity 0.5882345E+00 Ellipticity -0.3629782E+01 Gb(Abramov) 0.4347648E-02 Vb(Abramov) -0.3009909E-02 Hb(Abramov) 0.1337739E-02 Ex_ueg -0.7922416E-03 Ec_ueg -0.1870325E-03 Delta_ex -0.1159377E-02 Delta_ec 0.6990971E-03 Delta_et -0.4002066E-02 Pxc 0.4235849E+01 Qxc -0.1658392E+01 3,+1 81 3 +1 0.028767 -3.075385 0.061322 Rho 0.4714034E-02 |GRAD(Rho)| 0.8021958E-16 GRAD(Rho)x -0.1165782E-16 GRAD(Rho)y -0.4155945E-16 GRAD(Rho)z -0.6761722E-16 Laplacian 0.1847624E-01 (-1/4)Del**2(Rho)) -0.4619061E-02 Diamond 0.4113304E-03 Metallicity 0.4942963E+00 Ellipticity -0.3772743E+01 Gb(Abramov) 0.3459905E-02 Vb(Abramov) -0.2300749E-02 Hb(Abramov) 0.1159156E-02 Ex_ueg -0.5837703E-03 Ec_ueg -0.1346273E-03 Delta_ex -0.9216003E-03 Delta_ec 0.6055701E-03 Delta_et -0.3221397E-02 Pxc 0.4336194E+01 Qxc -0.1521872E+01 3,+1 82 3 +1 -1.778834 -1.732648 1.788654 Rho 0.1188035E-01 |GRAD(Rho)| 0.7654409E-14 GRAD(Rho)x 0.1401830E-14 GRAD(Rho)y 0.4464569E-14 GRAD(Rho)z 0.6057431E-14 Laplacian 0.5863273E-01 (-1/4)Del**2(Rho)) -0.1465818E-01 Diamond 0.2296038E-02 Metallicity 0.7269790E+00 Ellipticity -0.1248419E+01 Gb(Abramov) 0.1154815E-01 Vb(Abramov) -0.8438125E-02 Hb(Abramov) 0.3110029E-02 Ex_ueg -0.2002123E-02 Ec_ueg -0.4540485E-03 Delta_ex -0.2868208E-02 Delta_ec 0.7499033E-03 Delta_et -0.5617867E-02 Pxc 0.4409492E+01 Qxc -0.3824770E+01 3,+1 83 3 -1 -1.850336 -1.725235 -0.563558 Rho 0.4663293E-01 |GRAD(Rho)| 0.4531956E-16 GRAD(Rho)x -0.2884528E-16 GRAD(Rho)y -0.1029484E-16 GRAD(Rho)z 0.3340401E-16 Laplacian 0.1898478E+00 (-1/4)Del**2(Rho)) -0.4746196E-01 Diamond 0.8945481E-01 Metallicity 0.2192950E+01 Ellipticity 0.2093358E-01 Gb(Abramov) 0.4898826E-01 Vb(Abramov) -0.5051455E-01 Hb(Abramov) -0.1526298E-02 Ex_ueg -0.1239677E-01 Ec_ueg -0.2229618E-02 Delta_ex -0.1544634E-01 Delta_ec 0.5821602E-02 Delta_et -0.6031110E-01 Pxc 0.5560045E+01 Qxc -0.2653279E+01 3,-1 84 3 -1 0.079492 -2.170854 -0.998373 Rho 0.5952506E-02 |GRAD(Rho)| 0.1590275E-14 GRAD(Rho)x -0.8975167E-15 GRAD(Rho)y -0.1274412E-14 GRAD(Rho)z 0.3151370E-15 Laplacian 0.2280554E-01 (-1/4)Del**2(Rho)) -0.5701385E-02 Diamond 0.7787494E-03 Metallicity 0.5907529E+00 Ellipticity 0.2886036E+01 Gb(Abramov) 0.4362275E-02 Vb(Abramov) -0.3023165E-02 Hb(Abramov) 0.1339110E-02 Ex_ueg -0.7967428E-03 Ec_ueg -0.1881305E-03 Delta_ex -0.1251445E-02 Delta_ec 0.8578586E-03 Delta_et -0.4853721E-02 Pxc 0.4235053E+01 Qxc -0.1458802E+01 3,-1 85 3 +1 0.549801 0.425966 1.652371 Rho 0.7891134E-02 |GRAD(Rho)| 0.9551351E-17 GRAD(Rho)x -0.5771252E-17 GRAD(Rho)y 0.1520006E-17 GRAD(Rho)z -0.7457248E-17 Laplacian 0.3087850E-01 (-1/4)Del**2(Rho)) -0.7719626E-02 Diamond 0.7480353E-03 Metallicity 0.6980008E+00 Ellipticity -0.1427398E+01 Gb(Abramov) 0.6044468E-02 Vb(Abramov) -0.4369311E-02 Hb(Abramov) 0.1675158E-02 Ex_ueg -0.1160302E-02 Ec_ueg -0.2733760E-03 Delta_ex -0.1386977E-02 Delta_ec 0.4462851E-03 Delta_et -0.2973620E-02 Pxc 0.4244345E+01 Qxc -0.3107827E+01 3,+1 86 3 +1 -0.528654 1.612204 -0.559253 Rho 0.8997059E-02 |GRAD(Rho)| 0.1699062E-12 GRAD(Rho)x -0.1494603E-12 GRAD(Rho)y -0.7046892E-13 GRAD(Rho)z -0.3954590E-13 Laplacian 0.3493011E-01 (-1/4)Del**2(Rho)) -0.8732527E-02 Diamond 0.9606666E-03 Metallicity 0.7677990E+00 Ellipticity -0.1429476E+01 Gb(Abramov) 0.6939156E-02 Vb(Abramov) -0.5145784E-02 Hb(Abramov) 0.1793372E-02 Ex_ueg -0.1382035E-02 Ec_ueg -0.3227804E-03 Delta_ex -0.1599934E-02 Delta_ec 0.4661969E-03 Delta_et -0.3243856E-02 Pxc 0.4281658E+01 Qxc -0.3431884E+01 3,+1 87 3 -1 -2.013060 2.928102 0.852674 Rho 0.1230696E+00 |GRAD(Rho)| 0.3724158E-13 GRAD(Rho)x 0.2998655E-13 GRAD(Rho)y -0.1420293E-13 GRAD(Rho)z 0.1691209E-13 Laplacian 0.4897068E+00 (-1/4)Del**2(Rho)) -0.1224267E+00 Diamond 0.7814895E+00 Metallicity 0.4284778E+01 Ellipticity 0.2257658E-01 Gb(Abramov) 0.1690463E+00 Vb(Abramov) -0.2156660E+00 Hb(Abramov) -0.4661964E-01 Ex_ueg -0.4521190E-01 Ec_ueg -0.6742591E-02 Delta_ex -0.5011349E-01 Delta_ec 0.1301263E-01 Delta_et -0.1679472E+00 Pxc 0.6705419E+01 Qxc -0.3851141E+01 3,-1 88 3 +1 -1.737894 1.697652 -1.731899 Rho 0.1170015E-01 |GRAD(Rho)| 0.1001128E-13 GRAD(Rho)x -0.8644947E-14 GRAD(Rho)y -0.2950152E-14 GRAD(Rho)z 0.4097215E-14 Laplacian 0.5741228E-01 (-1/4)Del**2(Rho)) -0.1435307E-01 Diamond 0.2221739E-02 Metallicity 0.7237597E+00 Ellipticity -0.1273260E+01 Gb(Abramov) 0.1130008E-01 Vb(Abramov) -0.8247081E-02 Hb(Abramov) 0.3052994E-02 Ex_ueg -0.1961736E-02 Ec_ueg -0.4457448E-03 Delta_ex -0.2803212E-02 Delta_ec 0.7450343E-03 Delta_et -0.5552143E-02 Pxc 0.4401029E+01 Qxc -0.3762528E+01 3,+1 89 3 +3 -1.135698 -1.118454 1.160416 Rho 0.5147441E-02 |GRAD(Rho)| 0.1252106E-11 GRAD(Rho)x -0.2766711E-13 GRAD(Rho)y -0.1251608E-11 GRAD(Rho)z 0.2192654E-13 Laplacian 0.1991114E-01 (-1/4)Del**2(Rho)) -0.4977784E-02 Diamond 0.1446279E-03 Metallicity 0.5310916E+00 Ellipticity -0.1575131E+00 Gb(Abramov) 0.3759133E-02 Vb(Abramov) -0.2540481E-02 Hb(Abramov) 0.1218652E-02 Ex_ueg -0.6564076E-03 Ec_ueg -0.1532633E-03 Delta_ex -0.6934342E-03 Delta_ec 0.8760319E-04 Delta_et -0.6972793E-03 Pxc 0.4282875E+01 Qxc -0.7915627E+01 3,+3 90 3 +1 -1.690638 -0.534777 0.542673 Rho 0.9155648E-02 |GRAD(Rho)| 0.2649448E-17 GRAD(Rho)x 0.2580790E-17 GRAD(Rho)y -0.4543339E-18 GRAD(Rho)z -0.3907403E-18 Laplacian 0.3472899E-01 (-1/4)Del**2(Rho)) -0.8682249E-02 Diamond 0.1063498E-02 Metallicity 0.7950652E+00 Ellipticity -0.1576945E+01 Gb(Abramov) 0.6938658E-02 Vb(Abramov) -0.5195068E-02 Hb(Abramov) 0.1743591E-02 Ex_ueg -0.1414611E-02 Ec_ueg -0.3299094E-03 Delta_ex -0.1633230E-02 Delta_ec 0.5266441E-03 Delta_et -0.3627669E-02 Pxc 0.4287879E+01 Qxc -0.3101203E+01 3,+1 91 3 -1 -1.794520 -0.545121 2.843135 Rho 0.1537017E+00 |GRAD(Rho)| 0.1262830E-12 GRAD(Rho)x -0.9093273E-13 GRAD(Rho)y 0.8758967E-13 GRAD(Rho)z -0.2585751E-14 Laplacian 0.6401641E+00 (-1/4)Del**2(Rho)) -0.1600410E+00 Diamond 0.1306954E+01 Metallicity 0.4747367E+01 Ellipticity 0.3873834E-01 Gb(Abramov) 0.2333229E+00 Vb(Abramov) -0.3066048E+00 Hb(Abramov) -0.7328190E-01 Ex_ueg -0.6080740E-01 Ec_ueg -0.8680893E-02 Delta_ex -0.6888294E-01 Delta_ec 0.1564674E-01 Delta_et -0.2077975E+00 Pxc 0.7004741E+01 Qxc -0.4402383E+01 3,-1 92 3 -1 -1.773215 0.492654 -2.848260 Rho 0.1348584E+00 |GRAD(Rho)| 0.3175143E-15 GRAD(Rho)x 0.3170072E-15 GRAD(Rho)y 0.1790289E-16 GRAD(Rho)z -0.1128248E-17 Laplacian 0.5601487E+00 (-1/4)Del**2(Rho)) -0.1400372E+00 Diamond 0.1007182E+01 Metallicity 0.4362879E+01 Ellipticity 0.1376769E-01 Gb(Abramov) 0.1951857E+00 Vb(Abramov) -0.2503342E+00 Hb(Abramov) -0.5514848E-01 Ex_ueg -0.5107665E-01 Ec_ueg -0.7481398E-02 Delta_ex -0.5870719E-01 Delta_ec 0.1475624E-01 Delta_et -0.1936983E+00 Pxc 0.6827153E+01 Qxc -0.3978465E+01 3,-1 93 3 +3 -2.296184 -0.022783 0.038989 Rho 0.5267632E-02 |GRAD(Rho)| 0.3313285E-16 GRAD(Rho)x -0.1091628E-16 GRAD(Rho)y -0.2198898E-16 GRAD(Rho)z -0.2225097E-16 Laplacian 0.2161123E-01 (-1/4)Del**2(Rho)) -0.5402809E-02 Diamond 0.2175796E-03 Metallicity 0.5085019E+00 Ellipticity -0.4247965E+00 Gb(Abramov) 0.4059762E-02 Vb(Abramov) -0.2716716E-02 Hb(Abramov) 0.1343046E-02 Ex_ueg -0.6769224E-03 Ec_ueg -0.1584482E-03 Delta_ex -0.8056170E-03 Delta_ec 0.1810013E-03 Delta_et -0.1199220E-02 Pxc 0.4272200E+01 Qxc -0.4450890E+01 3,+3 94 3 +1 -1.211745 1.238997 2.190497 Rho 0.2555378E-01 |GRAD(Rho)| 0.5401353E-14 GRAD(Rho)x 0.3416543E-14 GRAD(Rho)y 0.4139034E-14 GRAD(Rho)z 0.6084771E-15 Laplacian 0.1010762E+00 (-1/4)Del**2(Rho)) -0.2526906E-01 Diamond 0.1462913E-01 Metallicity 0.1511434E+01 Ellipticity -0.6142397E+01 Gb(Abramov) 0.2321146E-01 Vb(Abramov) -0.2115386E-01 Hb(Abramov) 0.2057600E-02 Ex_ueg -0.5558938E-02 Ec_ueg -0.1116636E-02 Delta_ex -0.6429284E-02 Delta_ec 0.1904385E-02 Delta_et -0.1685962E-01 Pxc 0.4978289E+01 Qxc -0.3376042E+01 3,+1 95 3 -1 -1.971512 0.887402 3.064392 Rho 0.1506755E+00 |GRAD(Rho)| 0.3240774E-15 GRAD(Rho)x 0.1329774E-15 GRAD(Rho)y 0.2808761E-15 GRAD(Rho)z 0.9193357E-16 Laplacian 0.5854576E+00 (-1/4)Del**2(Rho)) -0.1463644E+00 Diamond 0.1180536E+01 Metallicity 0.5021755E+01 Ellipticity 0.6875047E-01 Gb(Abramov) 0.2200773E+00 Vb(Abramov) -0.2937902E+00 Hb(Abramov) -0.7371290E-01 Ex_ueg -0.5921640E-01 Ec_ueg -0.8486771E-02 Delta_ex -0.6282020E-01 Delta_ec 0.1462012E-01 Delta_et -0.1942386E+00 Pxc 0.6977494E+01 Qxc -0.4296831E+01 3,-1 96 3 +1 0.188319 2.955704 -0.167357 Rho 0.5884282E-02 |GRAD(Rho)| 0.3327717E-12 GRAD(Rho)x 0.3226575E-12 GRAD(Rho)y 0.5883806E-13 GRAD(Rho)z 0.5627835E-13 Laplacian 0.2442033E-01 (-1/4)Del**2(Rho)) -0.6105082E-02 Diamond 0.6563083E-03 Metallicity 0.5411912E+00 Ellipticity -0.2411822E+01 Gb(Abramov) 0.4620724E-02 Vb(Abramov) -0.3136366E-02 Hb(Abramov) 0.1484358E-02 Ex_ueg -0.7845904E-03 Ec_ueg -0.1851633E-03 Delta_ex -0.1214063E-02 Delta_ec 0.6987613E-03 Delta_et -0.4012513E-02 Pxc 0.4237289E+01 Qxc -0.1737451E+01 3,+1 97 3 +3 -1.121773 1.091775 -1.144393 Rho 0.5544935E-02 |GRAD(Rho)| 0.1583075E-14 GRAD(Rho)x -0.1323608E-14 GRAD(Rho)y 0.8271007E-15 GRAD(Rho)z -0.2647553E-15 Laplacian 0.2159753E-01 (-1/4)Del**2(Rho)) -0.5399383E-02 Diamond 0.1669382E-03 Metallicity 0.5542467E+00 Ellipticity -0.2188985E+00 Gb(Abramov) 0.4098354E-02 Vb(Abramov) -0.2797325E-02 Hb(Abramov) 0.1301029E-02 Ex_ueg -0.7248481E-03 Ec_ueg -0.1704384E-03 Delta_ex -0.7624375E-03 Delta_ec 0.8521300E-04 Delta_et -0.7147979E-03 Pxc 0.4252844E+01 Qxc -0.8947432E+01 3,+3 98 3 -1 -1.733929 1.669741 0.524059 Rho 0.4970547E-01 |GRAD(Rho)| 0.1087487E-14 GRAD(Rho)x -0.7071073E-15 GRAD(Rho)y 0.7545408E-15 GRAD(Rho)z -0.3365954E-15 Laplacian 0.1991874E+00 (-1/4)Del**2(Rho)) -0.4979686E-01 Diamond 0.9927780E-01 Metallicity 0.2324653E+01 Ellipticity 0.1780803E-01 Gb(Abramov) 0.5249131E-01 Vb(Abramov) -0.5518576E-01 Hb(Abramov) -0.2694453E-02 Ex_ueg -0.1349762E-01 Ec_ueg -0.2398600E-02 Delta_ex -0.1633267E-01 Delta_ec 0.5866383E-02 Delta_et -0.6174519E-01 Pxc 0.5627293E+01 Qxc -0.2784112E+01 3,-1 99 3 +3 0.067618 2.243548 -0.023893 Rho 0.4673227E-02 |GRAD(Rho)| 0.9403753E-11 GRAD(Rho)x 0.5687862E-11 GRAD(Rho)y 0.4308333E-11 GRAD(Rho)z 0.6125117E-11 Laplacian 0.1913177E-01 (-1/4)Del**2(Rho)) -0.4782943E-02 Diamond 0.1537117E-03 Metallicity 0.4704926E+00 Ellipticity -0.2823809E+00 Gb(Abramov) 0.3563685E-02 Vb(Abramov) -0.2344427E-02 Hb(Abramov) 0.1219258E-02 Ex_ueg -0.5770422E-03 Ec_ueg -0.1328777E-03 Delta_ex -0.6811596E-03 Delta_ec 0.1421776E-03 Delta_et -0.9439856E-03 Pxc 0.4342658E+01 Qxc -0.4790906E+01 3,+3 100 3 +1 -0.264146 -0.531175 -3.162523 Rho 0.3231105E-02 |GRAD(Rho)| 0.2088048E-12 GRAD(Rho)x -0.1080310E-12 GRAD(Rho)y -0.1443662E-12 GRAD(Rho)z -0.1052956E-12 Laplacian 0.1279966E-01 (-1/4)Del**2(Rho)) -0.3199914E-02 Diamond 0.1373421E-03 Metallicity 0.3801894E+00 Ellipticity -0.1454853E+01 Gb(Abramov) 0.2336038E-02 Vb(Abramov) -0.1472162E-02 Hb(Abramov) 0.8638757E-03 Ex_ueg -0.3527929E-03 Ec_ueg -0.7160277E-04 Delta_ex -0.5388320E-03 Delta_ec 0.3177277E-03 Delta_et -0.1547977E-02 Pxc 0.4927084E+01 Qxc -0.1695893E+01 3,+1 101 3 -1 -1.752149 -0.613225 -1.835320 Rho 0.5532695E-01 |GRAD(Rho)| 0.9663565E-16 GRAD(Rho)x -0.6724679E-16 GRAD(Rho)y 0.9606201E-17 GRAD(Rho)z -0.6873164E-16 Laplacian 0.2221829E+00 (-1/4)Del**2(Rho)) -0.5554572E-01 Diamond 0.1311444E+00 Metallicity 0.2491517E+01 Ellipticity 0.1569137E-01 Gb(Abramov) 0.6009599E-01 Vb(Abramov) -0.6464627E-01 Hb(Abramov) -0.4550276E-02 Ex_ueg -0.1557043E-01 Ec_ueg -0.2711377E-02 Delta_ex -0.1883373E-01 Delta_ec 0.6742515E-02 Delta_et -0.7303498E-01 Pxc 0.5742630E+01 Qxc -0.2793280E+01 3,-1 102 3 +1 2.170598 -1.447625 1.028304 Rho 0.2440511E-01 |GRAD(Rho)| 0.6576472E-16 GRAD(Rho)x 0.6077077E-16 GRAD(Rho)y -0.2587077E-17 GRAD(Rho)z 0.2500439E-16 Laplacian 0.9492336E-01 (-1/4)Del**2(Rho)) -0.2373084E-01 Diamond 0.1144019E-01 Metallicity 0.1490647E+01 Ellipticity -0.2833751E+01 Gb(Abramov) 0.2171628E-01 Vb(Abramov) -0.1970171E-01 Hb(Abramov) 0.2014564E-02 Ex_ueg -0.5228287E-02 Ec_ueg -0.1058809E-02 Delta_ex -0.5801978E-02 Delta_ec 0.1496660E-02 Delta_et -0.1316194E-01 Pxc 0.4937893E+01 Qxc -0.3876618E+01 3,+1 103 3 +1 1.661511 0.482769 0.528856 Rho 0.7283141E-02 |GRAD(Rho)| 0.1662276E-14 GRAD(Rho)x -0.1000578E-14 GRAD(Rho)y -0.1309346E-14 GRAD(Rho)z -0.2182158E-15 Laplacian 0.2826241E-01 (-1/4)Del**2(Rho)) -0.7065603E-02 Diamond 0.6266546E-03 Metallicity 0.6672190E+00 Ellipticity -0.1426423E+01 Gb(Abramov) 0.5496120E-02 Vb(Abramov) -0.3926636E-02 Hb(Abramov) 0.1569484E-02 Ex_ueg -0.1042661E-02 Ec_ueg -0.2464512E-03 Delta_ex -0.1251532E-02 Delta_ec 0.4212501E-03 Delta_et -0.2738132E-02 Pxc 0.4230702E+01 Qxc -0.2970995E+01 3,+1 104 3 +1 0.152408 -0.184149 2.983335 Rho 0.5556624E-02 |GRAD(Rho)| 0.1417145E-15 GRAD(Rho)x 0.1007303E-15 GRAD(Rho)y -0.9742500E-16 GRAD(Rho)z 0.2108946E-16 Laplacian 0.2300274E-01 (-1/4)Del**2(Rho)) -0.5750686E-02 Diamond 0.5522602E-03 Metallicity 0.5222180E+00 Ellipticity -0.2050604E+01 Gb(Abramov) 0.4334309E-02 Vb(Abramov) -0.2917932E-02 Hb(Abramov) 0.1416377E-02 Ex_ueg -0.7268861E-03 Ec_ueg -0.1709447E-03 Delta_ex -0.1114172E-02 Delta_ec 0.6293200E-03 Delta_et -0.3565601E-02 Pxc 0.4252172E+01 Qxc -0.1770438E+01 3,+1 105 3 +1 -0.191852 2.934677 0.202709 Rho 0.5890633E-02 |GRAD(Rho)| 0.5964539E-12 GRAD(Rho)x 0.4080039E-12 GRAD(Rho)y -0.1554210E-12 GRAD(Rho)z -0.4063674E-12 Laplacian 0.2449807E-01 (-1/4)Del**2(Rho)) -0.6124518E-02 Diamond 0.6561227E-03 Metallicity 0.5404446E+00 Ellipticity -0.2420880E+01 Gb(Abramov) 0.4634673E-02 Vb(Abramov) -0.3144827E-02 Hb(Abramov) 0.1489846E-02 Ex_ueg -0.7857198E-03 Ec_ueg -0.1854394E-03 Delta_ex -0.1215785E-02 Delta_ec 0.6966792E-03 Delta_et -0.4003710E-02 Pxc 0.4237069E+01 Qxc -0.1745114E+01 3,+1 106 3 +3 -0.100374 -2.439925 -0.176638 Rho 0.3772788E-02 |GRAD(Rho)| 0.1742659E-17 GRAD(Rho)x -0.1111644E-17 GRAD(Rho)y -0.1037341E-17 GRAD(Rho)z -0.8514884E-18 Laplacian 0.1507656E-01 (-1/4)Del**2(Rho)) -0.3769139E-02 Diamond 0.9386421E-04 Metallicity 0.4179090E+00 Ellipticity -0.3119517E+00 Gb(Abramov) 0.2775286E-02 Vb(Abramov) -0.1781432E-02 Hb(Abramov) 0.9938535E-03 Ex_ueg -0.4337787E-03 Ec_ueg -0.9448927E-04 Delta_ex -0.5120868E-03 Delta_ec 0.1199995E-03 Delta_et -0.7452226E-03 Pxc 0.4590772E+01 Qxc -0.4267406E+01 3,+3 107 3 +1 2.197423 1.028551 -1.415464 Rho 0.2488635E-01 |GRAD(Rho)| 0.4514356E-16 GRAD(Rho)x 0.3800861E-16 GRAD(Rho)y 0.1977453E-16 GRAD(Rho)z 0.1422161E-16 Laplacian 0.9511432E-01 (-1/4)Del**2(Rho)) -0.2377858E-01 Diamond 0.1159651E-01 Metallicity 0.1536866E+01 Ellipticity -0.2913499E+01 Gb(Abramov) 0.2194314E-01 Vb(Abramov) -0.2010769E-01 Hb(Abramov) 0.1835444E-02 Ex_ueg -0.5366199E-02 Ec_ueg -0.1082994E-02 Delta_ex -0.5824746E-02 Delta_ec 0.1464658E-02 Delta_et -0.1294952E-01 Pxc 0.4954967E+01 Qxc -0.3976865E+01 3,+1 108 3 +1 -1.242323 2.147053 1.204824 Rho 0.2885034E-01 |GRAD(Rho)| 0.3236344E-16 GRAD(Rho)x 0.1114725E-16 GRAD(Rho)y 0.2680731E-16 GRAD(Rho)z 0.1430031E-16 Laplacian 0.1180478E+00 (-1/4)Del**2(Rho)) -0.2951195E-01 Diamond 0.2033435E-01 Metallicity 0.1584188E+01 Ellipticity -0.8049377E+01 Gb(Abramov) 0.2746672E-01 Vb(Abramov) -0.2542148E-01 Hb(Abramov) 0.2045237E-02 Ex_ueg -0.6535111E-02 Ec_ueg -0.1284460E-02 Delta_ex -0.7766660E-02 Delta_ec 0.2247860E-02 Delta_et -0.2051116E-01 Pxc 0.5087827E+01 Qxc -0.3455134E+01 3,+1 109 3 -1 -0.835897 2.026212 2.990887 Rho 0.1162865E+00 |GRAD(Rho)| 0.4581116E-14 GRAD(Rho)x 0.4231655E-14 GRAD(Rho)y -0.2556345E-15 GRAD(Rho)z -0.1736194E-14 Laplacian 0.4603415E+00 (-1/4)Del**2(Rho)) -0.1150854E+00 Diamond 0.6892209E+00 Metallicity 0.4147139E+01 Ellipticity 0.2192870E-01 Gb(Abramov) 0.1562694E+00 Vb(Abramov) -0.1974535E+00 Hb(Abramov) -0.4118406E-01 Ex_ueg -0.4192028E-01 Ec_ueg -0.6321780E-02 Delta_ex -0.4651789E-01 Delta_ec 0.1247040E-01 Delta_et -0.1594837E+00 Pxc 0.6631088E+01 Qxc -0.3730265E+01 3,-1 110 3 -1 -0.003968 2.945718 0.020441 Rho 0.5954431E-02 |GRAD(Rho)| 0.1081401E-16 GRAD(Rho)x -0.5421506E-17 GRAD(Rho)y 0.5155674E-18 GRAD(Rho)z -0.9342604E-17 Laplacian 0.2387505E-01 (-1/4)Del**2(Rho)) -0.5968763E-02 Diamond 0.8165035E-03 Metallicity 0.5645936E+00 Ellipticity 0.2211015E+01 Gb(Abramov) 0.4540829E-02 Vb(Abramov) -0.3112896E-02 Hb(Abramov) 0.1427933E-02 Ex_ueg -0.7970863E-03 Ec_ueg -0.1882143E-03 Delta_ex -0.1310860E-02 Delta_ec 0.8992438E-03 Delta_et -0.5087995E-02 Pxc 0.4234994E+01 Qxc -0.1457736E+01 3,-1 111 3 +1 2.020217 1.965892 -1.970673 Rho 0.1203167E-01 |GRAD(Rho)| 0.7770724E-17 GRAD(Rho)x 0.4261805E-17 GRAD(Rho)y 0.3458985E-18 GRAD(Rho)z 0.6488568E-17 Laplacian 0.5615721E-01 (-1/4)Del**2(Rho)) -0.1403930E-01 Diamond 0.1684980E-02 Metallicity 0.7752071E+00 Ellipticity -0.1048045E+01 Gb(Abramov) 0.1117343E-01 Vb(Abramov) -0.8307557E-02 Hb(Abramov) 0.2865873E-02 Ex_ueg -0.2036197E-02 Ec_ueg -0.4610314E-03 Delta_ex -0.2597177E-02 Delta_ec 0.4341171E-03 Delta_et -0.3483483E-02 Pxc 0.4416613E+01 Qxc -0.5982666E+01 3,+1 112 3 -1 -0.846056 2.988993 1.971732 Rho 0.1467979E+00 |GRAD(Rho)| 0.2881045E-12 GRAD(Rho)x 0.2130396E-12 GRAD(Rho)y -0.1101665E-12 GRAD(Rho)z 0.1596298E-12 Laplacian 0.5755120E+00 (-1/4)Del**2(Rho)) -0.1438780E+00 Diamond 0.1136020E+01 Metallicity 0.4891313E+01 Ellipticity 0.3885248E-01 Gb(Abramov) 0.2132107E+00 Vb(Abramov) -0.2825434E+00 Hb(Abramov) -0.6933272E-01 Ex_ueg -0.5719328E-01 Ec_ueg -0.8238853E-02 Delta_ex -0.6147380E-01 Delta_ec 0.1467268E-01 Delta_et -0.1947121E+00 Pxc 0.6941899E+01 Qxc -0.4189678E+01 3,-1 113 3 -1 -0.561933 -1.839980 2.775506 Rho 0.1051947E+00 |GRAD(Rho)| 0.2733003E-15 GRAD(Rho)x 0.7799141E-16 GRAD(Rho)y -0.2606558E-15 GRAD(Rho)z 0.2586500E-16 Laplacian 0.4312409E+00 (-1/4)Del**2(Rho)) -0.1078102E+00 Diamond 0.5676931E+00 Metallicity 0.3745843E+01 Ellipticity 0.8990162E-02 Gb(Abramov) 0.1391802E+00 Vb(Abramov) -0.1705501E+00 Hb(Abramov) -0.3136996E-01 Ex_ueg -0.3667557E-01 Ec_ueg -0.5640788E-02 Delta_ex -0.4248705E-01 Delta_ec 0.1182137E-01 Delta_et -0.1482134E+00 Pxc 0.6501851E+01 Qxc -0.3594089E+01 3,-1 114 3 -1 -0.237472 -1.268829 -3.497361 Rho 0.4461723E-02 |GRAD(Rho)| 0.1866542E-15 GRAD(Rho)x -0.4876066E-16 GRAD(Rho)y -0.1571688E-15 GRAD(Rho)z -0.8809167E-16 Laplacian 0.1723744E-01 (-1/4)Del**2(Rho)) -0.4309359E-02 Diamond 0.5384360E-03 Metallicity 0.4834054E+00 Ellipticity 0.1843398E+00 Gb(Abramov) 0.3220101E-02 Vb(Abramov) -0.2130842E-02 Hb(Abramov) 0.1089258E-02 Ex_ueg -0.5424860E-03 Ec_ueg -0.1238226E-03 Delta_ex -0.1047715E-02 Delta_ec 0.9162197E-03 Delta_et -0.4655691E-02 Pxc 0.4381155E+01 Qxc -0.1143519E+01 3,-1 115 3 +1 -0.306715 -1.034815 -2.757088 Rho 0.3229691E-02 |GRAD(Rho)| 0.3830786E-15 GRAD(Rho)x -0.2542824E-15 GRAD(Rho)y 0.2655582E-15 GRAD(Rho)z -0.1075572E-15 Laplacian 0.1281187E-01 (-1/4)Del**2(Rho)) -0.3202968E-02 Diamond 0.1209574E-03 Metallicity 0.3795498E+00 Ellipticity -0.1307182E+01 Gb(Abramov) 0.2337926E-02 Vb(Abramov) -0.1472885E-02 Hb(Abramov) 0.8650418E-03 Ex_ueg -0.3525870E-03 Ec_ueg -0.7154322E-04 Delta_ex -0.5119687E-03 Delta_ec 0.2692333E-03 Delta_et -0.1337223E-02 Pxc 0.4928307E+01 Qxc -0.1901581E+01 3,+1 116 3 -1 -0.561526 -0.540091 -0.547043 Rho 0.1888800E+00 |GRAD(Rho)| 0.1855679E-12 GRAD(Rho)x 0.1142975E-12 GRAD(Rho)y 0.9754003E-13 GRAD(Rho)z 0.1088921E-12 Laplacian 0.5076550E+00 (-1/4)Del**2(Rho)) -0.1269138E+00 Diamond 0.1363836E+01 Metallicity 0.8440230E+01 Ellipticity 0.2439533E-01 Gb(Abramov) 0.2631394E+00 Vb(Abramov) -0.3993650E+00 Hb(Abramov) -0.1362256E+00 Ex_ueg -0.8003862E-01 Ec_ueg -0.1097733E-01 Delta_ex -0.5779585E-01 Delta_ec 0.1222929E-01 Delta_et -0.1675720E+00 Pxc 0.7291265E+01 Qxc -0.4726017E+01 3,-1 117 3 -1 0.426429 0.385982 -0.532923 Rho 0.1771007E+00 |GRAD(Rho)| 0.3076774E-14 GRAD(Rho)x 0.1897787E-14 GRAD(Rho)y 0.1949829E-14 GRAD(Rho)z -0.1436351E-14 Laplacian 0.4615744E+00 (-1/4)Del**2(Rho)) -0.1153936E+00 Diamond 0.1167810E+01 Metallicity 0.8338195E+01 Ellipticity 0.3043916E-02 Gb(Abramov) 0.2372914E+00 Vb(Abramov) -0.3591893E+00 Hb(Abramov) -0.1218978E+00 Ex_ueg -0.7345344E-01 Ec_ueg -0.1020037E-01 Delta_ex -0.5186446E-01 Delta_ec 0.1159562E-01 Delta_et -0.1586548E+00 Pxc 0.7201054E+01 Qxc -0.4472764E+01 3,-1 118 3 +3 -0.262145 -0.625010 -2.791396 Rho 0.3103240E-02 |GRAD(Rho)| 0.9427574E-16 GRAD(Rho)x -0.7028139E-16 GRAD(Rho)y 0.3713663E-16 GRAD(Rho)z 0.5068838E-16 Laplacian 0.1233962E-01 (-1/4)Del**2(Rho)) -0.3084905E-02 Diamond 0.9601823E-04 Metallicity 0.3686976E+00 Ellipticity -0.3958458E+00 Gb(Abramov) 0.2246170E-02 Vb(Abramov) -0.1407434E-02 Hb(Abramov) 0.8387355E-03 Ex_ueg -0.3343020E-03 Ec_ueg -0.6622356E-04 Delta_ex -0.4638129E-03 Delta_ec 0.2142349E-03 Delta_et -0.1079835E-02 Pxc 0.5048082E+01 Qxc -0.2164974E+01 3,+3 119 3 -1 -0.497507 0.414026 0.427184 Rho 0.1766880E+00 |GRAD(Rho)| 0.3557064E-13 GRAD(Rho)x 0.1851991E-13 GRAD(Rho)y -0.2152792E-13 GRAD(Rho)z -0.2142037E-13 Laplacian 0.4583274E+00 (-1/4)Del**2(Rho)) -0.1145818E+00 Diamond 0.1152389E+01 Metallicity 0.8364679E+01 Ellipticity 0.6251466E-02 Gb(Abramov) 0.2361280E+00 Vb(Abramov) -0.3576741E+00 Hb(Abramov) -0.1215461E+00 Ex_ueg -0.7322531E-01 Ec_ueg -0.1017330E-01 Delta_ex -0.5143792E-01 Delta_ec 0.1146433E-01 Delta_et -0.1566557E+00 Pxc 0.7197796E+01 Qxc -0.4486780E+01 3,-1 120 3 +3 0.045743 -0.091415 2.273279 Rho 0.4478710E-02 |GRAD(Rho)| 0.2732934E-16 GRAD(Rho)x 0.2054510E-16 GRAD(Rho)y -0.1531194E-16 GRAD(Rho)z -0.9504549E-17 Laplacian 0.1831651E-01 (-1/4)Del**2(Rho)) -0.4579127E-02 Diamond 0.1448884E-03 Metallicity 0.4578171E+00 Ellipticity -0.4265454E+00 Gb(Abramov) 0.3402152E-02 Vb(Abramov) -0.2225177E-02 Hb(Abramov) 0.1176975E-02 Ex_ueg -0.5452416E-03 Ec_ueg -0.1245490E-03 Delta_ex -0.6513379E-03 Delta_ec 0.1476325E-03 Delta_et -0.9510097E-03 Pxc 0.4377728E+01 Qxc -0.4411888E+01 3,+3 121 3 -1 -0.502813 1.731797 1.698735 Rho 0.4571516E-01 |GRAD(Rho)| 0.3240740E-16 GRAD(Rho)x -0.4775148E-18 GRAD(Rho)y -0.2613690E-16 GRAD(Rho)z 0.1915396E-16 Laplacian 0.1829712E+00 (-1/4)Del**2(Rho)) -0.4574281E-01 Diamond 0.8140392E-01 Metallicity 0.2201223E+01 Ellipticity 0.3864649E-01 Gb(Abramov) 0.4727689E-01 Vb(Abramov) -0.4881098E-01 Hb(Abramov) -0.1534084E-02 Ex_ueg -0.1207254E-01 Ec_ueg -0.2179429E-02 Delta_ex -0.1469133E-01 Delta_ec 0.5393597E-02 Delta_et -0.5553727E-01 Pxc 0.5539313E+01 Qxc -0.2723847E+01 3,-1 122 3 -1 -0.551817 1.777476 -2.757860 Rho 0.1419420E+00 |GRAD(Rho)| 0.2499539E-12 GRAD(Rho)x 0.1645160E-12 GRAD(Rho)y 0.1843310E-12 GRAD(Rho)z 0.3786176E-13 Laplacian 0.6038092E+00 (-1/4)Del**2(Rho)) -0.1509523E+00 Diamond 0.1138726E+01 Metallicity 0.4407897E+01 Ellipticity 0.1426579E-01 Gb(Abramov) 0.2115319E+00 Vb(Abramov) -0.2721115E+00 Hb(Abramov) -0.6057961E-01 Ex_ueg -0.5468474E-01 Ec_ueg -0.7929696E-02 Delta_ex -0.6390412E-01 Delta_ec 0.1540798E-01 Delta_et -0.2032292E+00 Pxc 0.6896196E+01 Qxc -0.4147469E+01 3,-1 123 3 -1 -0.070628 -3.242003 3.175523 Rho 0.2289969E+00 |GRAD(Rho)| 0.1673511E-14 GRAD(Rho)x 0.3168174E-15 GRAD(Rho)y 0.1206283E-14 GRAD(Rho)z -0.1115861E-14 Laplacian 0.8350915E+00 (-1/4)Del**2(Rho)) -0.2087729E+00 Diamond 0.2795988E+01 Metallicity 0.7072859E+01 Ellipticity 0.3909264E-02 Gb(Abramov) 0.3852854E+00 Vb(Abramov) -0.5617980E+00 Hb(Abramov) -0.1765125E+00 Ex_ueg -0.1034724E+00 Ec_ueg -0.1368181E-01 Delta_ex -0.9969668E-01 Delta_ec 0.1875093E-01 Delta_et -0.2594399E+00 Pxc 0.7562767E+01 Qxc -0.5316893E+01 3,-1 124 3 -1 -0.589392 -2.801389 1.821365 Rho 0.1563988E+00 |GRAD(Rho)| 0.3533107E-15 GRAD(Rho)x -0.1752477E-15 GRAD(Rho)y -0.3900417E-16 GRAD(Rho)z -0.3042949E-15 Laplacian 0.6479578E+00 (-1/4)Del**2(Rho)) -0.1619895E+00 Diamond 0.1351400E+01 Metallicity 0.4828241E+01 Ellipticity 0.4159540E-01 Gb(Abramov) 0.2383470E+00 Vb(Abramov) -0.3147045E+00 Hb(Abramov) -0.7635753E-01 Ex_ueg -0.6223429E-01 Ec_ueg -0.8854382E-02 Delta_ex -0.7002923E-01 Delta_ec 0.1577743E-01 Delta_et -0.2100153E+00 Pxc 0.7028643E+01 Qxc -0.4438570E+01 3,-1 125 3 +1 1.654649 -0.580767 -0.567984 Rho 0.8673967E-02 |GRAD(Rho)| 0.1475313E-12 GRAD(Rho)x 0.1023440E-12 GRAD(Rho)y -0.1039659E-12 GRAD(Rho)z -0.2196104E-13 Laplacian 0.3457743E-01 (-1/4)Del**2(Rho)) -0.8644358E-02 Diamond 0.9269083E-03 Metallicity 0.7297656E+00 Ellipticity -0.1414542E+01 Gb(Abramov) 0.6814298E-02 Vb(Abramov) -0.4984238E-02 Hb(Abramov) 0.1830060E-02 Ex_ueg -0.1316261E-02 Ec_ueg -0.3082908E-03 Delta_ex -0.1578922E-02 Delta_ec 0.4791701E-03 Delta_et -0.3288313E-02 Pxc 0.4269544E+01 Qxc -0.3295118E+01 3,+1 126 3 -1 -0.553617 2.749542 -1.765878 Rho 0.1450669E+00 |GRAD(Rho)| 0.3474284E-15 GRAD(Rho)x -0.2496376E-15 GRAD(Rho)y -0.2781656E-16 GRAD(Rho)z -0.2400288E-15 Laplacian 0.6070122E+00 (-1/4)Del**2(Rho)) -0.1517531E+00 Diamond 0.1173906E+01 Metallicity 0.4546698E+01 Ellipticity 0.1014497E-01 Gb(Abramov) 0.2161646E+00 Vb(Abramov) -0.2805761E+00 Hb(Abramov) -0.6441153E-01 Ex_ueg -0.5629580E-01 Ec_ueg -0.8128474E-02 Delta_ex -0.6457394E-01 Delta_ec 0.1538457E-01 Delta_et -0.2035114E+00 Pxc 0.6925753E+01 Qxc -0.4197319E+01 3,-1 127 3 -1 0.098249 3.233048 3.160334 Rho 0.2391025E+00 |GRAD(Rho)| 0.1182304E-13 GRAD(Rho)x -0.5637282E-14 GRAD(Rho)y 0.1039208E-13 GRAD(Rho)z 0.1001803E-15 Laplacian 0.8764658E+00 (-1/4)Del**2(Rho)) -0.2191165E+00 Diamond 0.3080080E+01 Metallicity 0.7241887E+01 Ellipticity 0.3906619E-02 Gb(Abramov) 0.4105471E+00 Vb(Abramov) -0.6019777E+00 Hb(Abramov) -0.1914306E+00 Ex_ueg -0.1096051E+00 Ec_ueg -0.1437710E-01 Delta_ex -0.1057604E+00 Delta_ec 0.1932814E-01 Delta_et -0.2674511E+00 Pxc 0.7623588E+01 Qxc -0.5471836E+01 3,-1 128 3 -1 -0.060397 3.181267 -3.153300 Rho 0.2413371E+00 |GRAD(Rho)| 0.6336485E-15 GRAD(Rho)x -0.9234692E-16 GRAD(Rho)y 0.5885049E-15 GRAD(Rho)z -0.2159731E-15 Laplacian 0.8931360E+00 (-1/4)Del**2(Rho)) -0.2232840E+00 Diamond 0.3165638E+01 Metallicity 0.7217757E+01 Ellipticity 0.1558704E-02 Gb(Abramov) 0.4174576E+00 Vb(Abramov) -0.6116312E+00 Hb(Abramov) -0.1941736E+00 Ex_ueg -0.1109729E+00 Ec_ueg -0.1453159E-01 Delta_ex -0.1079900E+00 Delta_ec 0.1956249E-01 Delta_et -0.2704239E+00 Pxc 0.7636669E+01 Qxc -0.5520260E+01 3,-1 129 3 +3 0.784394 -1.473109 -1.503746 Rho 0.3037099E-02 |GRAD(Rho)| 0.7572319E-15 GRAD(Rho)x 0.3325377E-15 GRAD(Rho)y 0.4760606E-15 GRAD(Rho)z 0.4859888E-15 Laplacian 0.1178665E-01 (-1/4)Del**2(Rho)) -0.2946663E-02 Diamond 0.6215285E-04 Metallicity 0.3723811E+00 Ellipticity -0.8466702E+00 Gb(Abramov) 0.2147322E-02 Vb(Abramov) -0.1347982E-02 Hb(Abramov) 0.7993407E-03 Ex_ueg -0.3248356E-03 Ec_ueg -0.6344454E-04 Delta_ex -0.3923348E-03 Delta_ec 0.1178017E-03 Delta_et -0.6555398E-03 Pxc 0.5119994E+01 Qxc -0.3330467E+01 3,+3 130 3 -1 0.413841 -0.558347 0.396609 Rho 0.1826914E+00 |GRAD(Rho)| 0.5979709E-14 GRAD(Rho)x 0.3514550E-14 GRAD(Rho)y -0.3427814E-14 GRAD(Rho)z 0.3413936E-14 Laplacian 0.4840552E+00 (-1/4)Del**2(Rho)) -0.1210138E+00 Diamond 0.1268939E+01 Metallicity 0.8373656E+01 Ellipticity 0.4779386E-02 Gb(Abramov) 0.2495639E+00 Vb(Abramov) -0.3781139E+00 Hb(Abramov) -0.1285501E+00 Ex_ueg -0.7656128E-01 Ec_ueg -0.1056815E-01 Delta_ex -0.5479717E-01 Delta_ec 0.1203105E-01 Delta_et -0.1651080E+00 Pxc 0.7244533E+01 Qxc -0.4554644E+01 3,-1 131 3 +1 0.551799 1.669841 0.456263 Rho 0.7501874E-02 |GRAD(Rho)| 0.5935726E-16 GRAD(Rho)x 0.2715396E-16 GRAD(Rho)y 0.5082864E-16 GRAD(Rho)z 0.1422657E-16 Laplacian 0.2939953E-01 (-1/4)Del**2(Rho)) -0.7349882E-02 Diamond 0.6535621E-03 Metallicity 0.6738384E+00 Ellipticity -0.1388614E+01 Gb(Abramov) 0.5725360E-02 Vb(Abramov) -0.4100838E-02 Hb(Abramov) 0.1624522E-02 Ex_ueg -0.1084621E-02 Ec_ueg -0.2561181E-03 Delta_ex -0.1297892E-02 Delta_ec 0.4140173E-03 Delta_et -0.2731421E-02 Pxc 0.4234848E+01 Qxc -0.3134874E+01 3,+1 132 3 +1 1.389469 -2.241981 1.036392 Rho 0.2700888E-01 |GRAD(Rho)| 0.1169836E-13 GRAD(Rho)x 0.8191014E-14 GRAD(Rho)y -0.4804822E-14 GRAD(Rho)z -0.6831738E-14 Laplacian 0.1069932E+00 (-1/4)Del**2(Rho)) -0.2674831E-01 Diamond 0.1499538E-01 Metallicity 0.1565914E+01 Ellipticity -0.3177084E+01 Gb(Abramov) 0.2481313E-01 Vb(Abramov) -0.2287795E-01 Hb(Abramov) 0.1935179E-02 Ex_ueg -0.5984949E-02 Ec_ueg -0.1190380E-02 Delta_ex -0.6737737E-02 Delta_ec 0.1715950E-02 Delta_et -0.1545167E-01 Pxc 0.5027762E+01 Qxc -0.3926535E+01 3,+1 133 3 -1 0.000989 -3.376305 -1.174465 Rho 0.2388257E-01 |GRAD(Rho)| 0.1120395E-15 GRAD(Rho)x 0.2343176E-16 GRAD(Rho)y 0.9723372E-16 GRAD(Rho)z 0.5049160E-16 Laplacian 0.8097577E-01 (-1/4)Del**2(Rho)) -0.2024394E-01 Diamond 0.2380720E-01 Metallicity 0.1685492E+01 Ellipticity 0.1201014E-01 Gb(Abramov) 0.1918279E-01 Vb(Abramov) -0.1812165E-01 Hb(Abramov) 0.1061148E-02 Ex_ueg -0.5079565E-02 Ec_ueg -0.1032620E-02 Delta_ex -0.6575396E-02 Delta_ec 0.4231089E-02 Delta_et -0.3617915E-01 Pxc 0.4919106E+01 Qxc -0.1554067E+01 3,-1 134 3 -1 1.700733 0.441132 -1.806061 Rho 0.4521496E-01 |GRAD(Rho)| 0.4381726E-16 GRAD(Rho)x 0.1706771E-18 GRAD(Rho)y 0.1552717E-16 GRAD(Rho)z 0.4097352E-16 Laplacian 0.1779650E+00 (-1/4)Del**2(Rho)) -0.4449125E-01 Diamond 0.7858087E-01 Metallicity 0.2222024E+01 Ellipticity 0.2312710E-01 Gb(Abramov) 0.4613761E-01 Vb(Abramov) -0.4778396E-01 Hb(Abramov) -0.1646357E-02 Ex_ueg -0.1189674E-01 Ec_ueg -0.2152133E-02 Delta_ex -0.1427860E-01 Delta_ec 0.5297469E-02 Delta_et -0.5439965E-01 Pxc 0.5527882E+01 Qxc -0.2695362E+01 3,-1 135 3 +3 1.094033 1.065955 1.050139 Rho 0.4477598E-02 |GRAD(Rho)| 0.1033571E-14 GRAD(Rho)x -0.5546637E-15 GRAD(Rho)y -0.5577389E-15 GRAD(Rho)z -0.6704809E-15 Laplacian 0.1750564E-01 (-1/4)Del**2(Rho)) -0.4376411E-02 Diamond 0.1148413E-03 Metallicity 0.4788251E+00 Ellipticity -0.2766995E+00 Gb(Abramov) 0.3266863E-02 Vb(Abramov) -0.2157315E-02 Hb(Abramov) 0.1109548E-02 Ex_ueg -0.5450611E-03 Ec_ueg -0.1245014E-03 Delta_ex -0.5970904E-03 Delta_ec 0.9579576E-04 Delta_et -0.6893731E-03 Pxc 0.4377950E+01 Qxc -0.6232952E+01 3,+3 136 3 -1 0.528487 1.670869 -1.732328 Rho 0.5197888E-01 |GRAD(Rho)| 0.5241407E-16 GRAD(Rho)x -0.1574846E-16 GRAD(Rho)y 0.3396602E-17 GRAD(Rho)z 0.4987669E-16 Laplacian 0.2088242E+00 (-1/4)Del**2(Rho)) -0.5220605E-01 Diamond 0.1106540E+00 Metallicity 0.2388969E+01 Ellipticity 0.1330756E-01 Gb(Abramov) 0.5559047E-01 Vb(Abramov) -0.5897489E-01 Hb(Abramov) -0.3384421E-02 Ex_ueg -0.1432697E-01 Ec_ueg -0.2524547E-02 Delta_ex -0.1731940E-01 Delta_ec 0.6151591E-02 Delta_et -0.6550409E-01 Pxc 0.5675063E+01 Qxc -0.2815434E+01 3,-1 137 3 +1 0.590288 -1.640333 -1.679675 Rho 0.3078622E-02 |GRAD(Rho)| 0.2852243E-15 GRAD(Rho)x 0.8648250E-16 GRAD(Rho)y 0.1905292E-15 GRAD(Rho)z 0.1938357E-15 Laplacian 0.1177134E-01 (-1/4)Del**2(Rho)) -0.2942836E-02 Diamond 0.7916726E-04 Metallicity 0.3814003E+00 Ellipticity -0.1123965E+01 Gb(Abramov) 0.2148957E-02 Vb(Abramov) -0.1355078E-02 Hb(Abramov) 0.7938788E-03 Ex_ueg -0.3307706E-03 Ec_ueg -0.6518890E-04 Delta_ex -0.4213883E-03 Delta_ec 0.1681201E-03 Delta_et -0.8727811E-03 Pxc 0.5074032E+01 Qxc -0.2506471E+01 3,+1 138 3 -1 0.803454 -2.005654 2.984778 Rho 0.1190330E+00 |GRAD(Rho)| 0.7094628E-13 GRAD(Rho)x -0.4429398E-13 GRAD(Rho)y -0.4977744E-13 GRAD(Rho)z -0.2436441E-13 Laplacian 0.4595318E+00 (-1/4)Del**2(Rho)) -0.1148829E+00 Diamond 0.7003375E+00 Metallicity 0.4319268E+01 Ellipticity 0.3793863E-01 Gb(Abramov) 0.1592903E+00 Vb(Abramov) -0.2036977E+00 Hb(Abramov) -0.4440739E-01 Ex_ueg -0.4324558E-01 Ec_ueg -0.6491782E-02 Delta_ex -0.4659588E-01 Delta_ec 0.1220551E-01 Delta_et -0.1564611E+00 Pxc 0.6661588E+01 Qxc -0.3817610E+01 3,-1 139 3 -1 0.509406 -1.808855 1.672425 Rho 0.4515645E-01 |GRAD(Rho)| 0.9941910E-15 GRAD(Rho)x -0.6865552E-15 GRAD(Rho)y 0.2686691E-15 GRAD(Rho)z 0.6669891E-15 Laplacian 0.1871690E+00 (-1/4)Del**2(Rho)) -0.4679224E-01 Diamond 0.8446177E-01 Metallicity 0.2108203E+01 Ellipticity 0.1146398E-01 Gb(Abramov) 0.4763608E-01 Vb(Abramov) -0.4847992E-01 Hb(Abramov) -0.8438432E-03 Ex_ueg -0.1187622E-01 Ec_ueg -0.2148943E-02 Delta_ex -0.1510907E-01 Delta_ec 0.5744462E-02 Delta_et -0.5900456E-01 Pxc 0.5526539E+01 Qxc -0.2630198E+01 3,-1 140 3 -1 0.583353 2.815023 1.771369 Rho 0.1636450E+00 |GRAD(Rho)| 0.1448341E-15 GRAD(Rho)x -0.1262824E-15 GRAD(Rho)y 0.6837250E-16 GRAD(Rho)z -0.1883801E-16 Laplacian 0.6801076E+00 (-1/4)Del**2(Rho)) -0.1700269E+00 Diamond 0.1527271E+01 Metallicity 0.4960669E+01 Ellipticity 0.2018794E-01 Gb(Abramov) 0.2539258E+00 Vb(Abramov) -0.3378247E+00 Hb(Abramov) -0.8389891E-01 Ex_ueg -0.6610823E-01 Ec_ueg -0.9322640E-02 Delta_ex -0.7460070E-01 Delta_ec 0.1683617E-01 Delta_et -0.2265825E+00 Pxc 0.7091149E+01 Qxc -0.4430979E+01 3,-1 141 3 -1 0.853768 2.973500 -1.944457 Rho 0.1403186E+00 |GRAD(Rho)| 0.1509729E-12 GRAD(Rho)x -0.1103184E-12 GRAD(Rho)y -0.6593758E-13 GRAD(Rho)z -0.7921440E-13 Laplacian 0.5509665E+00 (-1/4)Del**2(Rho)) -0.1377416E+00 Diamond 0.1031230E+01 Metallicity 0.4738926E+01 Ellipticity 0.4358471E-01 Gb(Abramov) 0.2006190E+00 Vb(Abramov) -0.2634963E+00 Hb(Abramov) -0.6287736E-01 Ex_ueg -0.5385243E-01 Ec_ueg -0.7826674E-02 Delta_ex -0.5821782E-01 Delta_ec 0.1422401E-01 Delta_et -0.1875576E+00 Pxc 0.6880628E+01 Qxc -0.4092927E+01 3,-1 142 3 +1 1.282338 -1.152419 2.142092 Rho 0.2459650E-01 |GRAD(Rho)| 0.2943077E-12 GRAD(Rho)x -0.1762109E-12 GRAD(Rho)y -0.2253295E-12 GRAD(Rho)z 0.6923396E-13 Laplacian 0.9707234E-01 (-1/4)Del**2(Rho)) -0.2426808E-01 Diamond 0.1328529E-01 Metallicity 0.1476749E+01 Ellipticity -0.5395504E+01 Gb(Abramov) 0.2215170E-01 Vb(Abramov) -0.2003532E-01 Hb(Abramov) 0.2116385E-02 Ex_ueg -0.5283027E-02 Ec_ueg -0.1068420E-02 Delta_ex -0.6107822E-02 Delta_ec 0.1819744E-02 Delta_et -0.1595736E-01 Pxc 0.4944710E+01 Qxc -0.3356419E+01 3,+1 143 3 +1 2.011103 -2.022895 2.049501 Rho 0.1166102E-01 |GRAD(Rho)| 0.5413518E-17 GRAD(Rho)x -0.1075823E-17 GRAD(Rho)y -0.5184574E-18 GRAD(Rho)z 0.5280150E-17 Laplacian 0.5400214E-01 (-1/4)Del**2(Rho)) -0.1350053E-01 Diamond 0.1705665E-02 Metallicity 0.7651797E+00 Ellipticity -0.1138962E+01 Gb(Abramov) 0.1072208E-01 Vb(Abramov) -0.7943623E-02 Hb(Abramov) 0.2778456E-02 Ex_ueg -0.1952993E-02 Ec_ueg -0.4439434E-03 Delta_ex -0.2521938E-02 Delta_ec 0.5000181E-03 Delta_et -0.3879808E-02 Pxc 0.4399193E+01 Qxc -0.5043694E+01 3,+1 144 3 -1 0.876496 -3.036143 2.019219 Rho 0.1538848E+00 |GRAD(Rho)| 0.6131295E-13 GRAD(Rho)x 0.9143389E-14 GRAD(Rho)y 0.4428337E-13 GRAD(Rho)z 0.4140845E-13 Laplacian 0.5957303E+00 (-1/4)Del**2(Rho)) -0.1489326E+00 Diamond 0.1231145E+01 Metallicity 0.5111597E+01 Ellipticity 0.8076495E-01 Gb(Abramov) 0.2261689E+00 Vb(Abramov) -0.3034053E+00 Hb(Abramov) -0.7723635E-01 Ex_ueg -0.6090405E-01 Ec_ueg -0.8692662E-02 Delta_ex -0.6424748E-01 Delta_ec 0.1478259E-01 Delta_et -0.1969097E+00 Pxc 0.7006375E+01 Qxc -0.4346157E+01 3,-1 145 3 -1 1.945684 -0.855671 3.019313 Rho 0.1399533E+00 |GRAD(Rho)| 0.2689795E-15 GRAD(Rho)x 0.1751258E-15 GRAD(Rho)y 0.1898574E-15 GRAD(Rho)z -0.7506745E-16 Laplacian 0.5404225E+00 (-1/4)Del**2(Rho)) -0.1351056E+00 Diamond 0.1002804E+01 Metallicity 0.4810443E+01 Ellipticity 0.5197728E-01 Gb(Abramov) 0.1983901E+00 Vb(Abramov) -0.2616745E+00 Hb(Abramov) -0.6328444E-01 Ex_ueg -0.5366560E-01 Ec_ueg -0.7803516E-02 Delta_ex -0.5700704E-01 Delta_ec 0.1385280E-01 Delta_et -0.1823667E+00 Pxc 0.6877105E+01 Qxc -0.4115200E+01 3,-1 146 3 +1 1.361943 1.059252 -2.203856 Rho 0.2933910E-01 |GRAD(Rho)| 0.5585558E-16 GRAD(Rho)x 0.2202276E-16 GRAD(Rho)y -0.1421419E-16 GRAD(Rho)z -0.4932343E-16 Laplacian 0.1167089E+00 (-1/4)Del**2(Rho)) -0.2917722E-01 Diamond 0.1905423E-01 Metallicity 0.1647862E+01 Ellipticity -0.4475790E+01 Gb(Abramov) 0.2746481E-01 Vb(Abramov) -0.2575241E-01 Hb(Abramov) 0.1712403E-02 Ex_ueg -0.6683144E-02 Ec_ueg -0.1309568E-02 Delta_ex -0.7579527E-02 Delta_ec 0.1984391E-02 Delta_et -0.1820577E-01 Pxc 0.5103320E+01 Qxc -0.3819574E+01 3,+1 147 3 +1 1.366950 2.114607 -1.086813 Rho 0.2653537E-01 |GRAD(Rho)| 0.2699990E-16 GRAD(Rho)x 0.1982318E-16 GRAD(Rho)y -0.1759203E-16 GRAD(Rho)z 0.5153354E-17 Laplacian 0.1024509E+00 (-1/4)Del**2(Rho)) -0.2561273E-01 Diamond 0.1407204E-01 Metallicity 0.1587837E+01 Ellipticity -0.3530774E+01 Gb(Abramov) 0.2385329E-01 Vb(Abramov) -0.2209385E-01 Hb(Abramov) 0.1759435E-02 Ex_ueg -0.5845459E-02 Ec_ueg -0.1166324E-02 Delta_ex -0.6426843E-02 Delta_ec 0.1653714E-02 Delta_et -0.1482695E-01 Pxc 0.5011865E+01 Qxc -0.3886308E+01 3,+1 148 3 +1 2.941632 -0.154123 0.197081 Rho 0.4788011E-02 |GRAD(Rho)| 0.3733133E-17 GRAD(Rho)x 0.8894802E-18 GRAD(Rho)y 0.2961412E-17 GRAD(Rho)z 0.2091685E-17 Laplacian 0.1958337E-01 (-1/4)Del**2(Rho)) -0.4895842E-02 Diamond 0.4154494E-03 Metallicity 0.4786128E+00 Ellipticity -0.2374702E+01 Gb(Abramov) 0.3654430E-02 Vb(Abramov) -0.2413018E-02 Hb(Abramov) 0.1241412E-02 Ex_ueg -0.5960169E-03 Ec_ueg -0.1378015E-03 Delta_ex -0.9504351E-03 Delta_ec 0.5896109E-03 Delta_et -0.3171661E-02 Pxc 0.4325185E+01 Qxc -0.1611970E+01 3,+1 149 3 +1 1.727563 1.778680 1.762474 Rho 0.1230279E-01 |GRAD(Rho)| 0.6082718E-17 GRAD(Rho)x -0.2776265E-17 GRAD(Rho)y -0.5140643E-17 GRAD(Rho)z 0.1692810E-17 Laplacian 0.6111616E-01 (-1/4)Del**2(Rho)) -0.1527904E-01 Diamond 0.2515770E-02 Metallicity 0.7392588E+00 Ellipticity -0.1270764E+01 Gb(Abramov) 0.1206855E-01 Vb(Abramov) -0.8858068E-02 Hb(Abramov) 0.3210486E-02 Ex_ueg -0.2097603E-02 Ec_ueg -0.4735649E-03 Delta_ex -0.3018839E-02 Delta_ec 0.7841443E-03 Delta_et -0.5922610E-02 Pxc 0.4429388E+01 Qxc -0.3849851E+01 3,+1 150 3 -1 0.877803 1.997105 -2.968512 Rho 0.1421805E+00 |GRAD(Rho)| 0.1010392E-14 GRAD(Rho)x -0.6435011E-15 GRAD(Rho)y 0.6516462E-15 GRAD(Rho)z 0.4267962E-15 Laplacian 0.5631710E+00 (-1/4)Del**2(Rho)) -0.1407927E+00 Diamond 0.1066605E+01 Metallicity 0.4739213E+01 Ellipticity 0.5775465E-01 Gb(Abramov) 0.2050696E+00 Vb(Abramov) -0.2693465E+00 Hb(Abramov) -0.6427688E-01 Ex_ueg -0.5480730E-01 Ec_ueg -0.7944847E-02 Delta_ex -0.5965303E-01 Delta_ec 0.1441040E-01 Delta_et -0.1902154E+00 Pxc 0.6898471E+01 Qxc -0.4139583E+01 3,-1 151 3 -1 1.379812 -2.153416 -2.117911 Rho 0.7025473E-02 |GRAD(Rho)| 0.1589425E-16 GRAD(Rho)x 0.1252276E-16 GRAD(Rho)y -0.1104970E-17 GRAD(Rho)z 0.9725571E-17 Laplacian 0.2873164E-01 (-1/4)Del**2(Rho)) -0.7182911E-02 Diamond 0.1381332E-02 Metallicity 0.6180808E+00 Ellipticity 0.6415321E+00 Gb(Abramov) 0.5528544E-02 Vb(Abramov) -0.3874177E-02 Hb(Abramov) 0.1654367E-02 Ex_ueg -0.9937698E-03 Ec_ueg -0.2350921E-03 Delta_ex -0.1718168E-02 Delta_ec 0.1244336E-02 Delta_et -0.7351827E-02 Pxc 0.4227150E+01 Qxc -0.1380791E+01 3,-1 152 3 +1 1.608878 -1.998868 -1.963731 Rho 0.6807237E-02 |GRAD(Rho)| 0.9972096E-16 GRAD(Rho)x 0.7805590E-16 GRAD(Rho)y 0.4696939E-16 GRAD(Rho)z 0.4056381E-16 Laplacian 0.3034591E-01 (-1/4)Del**2(Rho)) -0.7586477E-02 Diamond 0.9602960E-03 Metallicity 0.5552191E+00 Ellipticity -0.2005341E+01 Gb(Abramov) 0.5759678E-02 Vb(Abramov) -0.3932878E-02 Hb(Abramov) 0.1826800E-02 Ex_ueg -0.9528244E-03 Ec_ueg -0.2254958E-03 Delta_ex -0.1534855E-02 Delta_ec 0.8329490E-03 Delta_et -0.5008590E-02 Pxc 0.4225464E+01 Qxc -0.1842676E+01 3,+1 153 3 -1 1.685928 -1.802862 0.426251 Rho 0.4534982E-01 |GRAD(Rho)| 0.8266568E-16 GRAD(Rho)x -0.7705332E-16 GRAD(Rho)y -0.2977638E-16 GRAD(Rho)z -0.3125340E-17 Laplacian 0.1831928E+00 (-1/4)Del**2(Rho)) -0.4579820E-01 Diamond 0.8392665E-01 Metallicity 0.2169355E+01 Ellipticity 0.1515439E-01 Gb(Abramov) 0.4709089E-01 Vb(Abramov) -0.4838358E-01 Hb(Abramov) -0.1292693E-02 Ex_ueg -0.1194407E-01 Ec_ueg -0.2159488E-02 Delta_ex -0.1484199E-01 Delta_ec 0.5690429E-02 Delta_et -0.5852989E-01 Pxc 0.5530973E+01 Qxc -0.2608237E+01 3,-1 154 3 +3 1.912257 -1.929778 1.935308 Rho 0.1159162E-01 |GRAD(Rho)| 0.2078291E-16 GRAD(Rho)x 0.7707346E-17 GRAD(Rho)y 0.1874317E-16 GRAD(Rho)z -0.4606501E-17 Laplacian 0.5312179E-01 (-1/4)Del**2(Rho)) -0.1328045E-01 Diamond 0.1262124E-02 Metallicity 0.7701598E+00 Ellipticity -0.7839381E+00 Gb(Abramov) 0.1055831E-01 Vb(Abramov) -0.7836171E-02 Hb(Abramov) 0.2722138E-02 Ex_ueg -0.1937510E-02 Ec_ueg -0.4407498E-03 Delta_ex -0.2355106E-02 Delta_ec 0.2746685E-03 Delta_et -0.2366724E-02 Pxc 0.4395941E+01 Qxc -0.8574358E+01 3,+3 155 3 -1 1.834509 2.783890 0.545478 Rho 0.1159205E+00 |GRAD(Rho)| 0.4477035E-14 GRAD(Rho)x 0.3422061E-14 GRAD(Rho)y -0.6586427E-15 GRAD(Rho)z -0.2810611E-14 Laplacian 0.4889128E+00 (-1/4)Del**2(Rho)) -0.1222282E+00 Diamond 0.7290640E+00 Metallicity 0.3884327E+01 Ellipticity 0.1468528E-01 Gb(Abramov) 0.1606145E+00 Vb(Abramov) -0.1990008E+00 Hb(Abramov) -0.3838631E-01 Ex_ueg -0.4174447E-01 Ec_ueg -0.6299168E-02 Delta_ex -0.4936582E-01 Delta_ec 0.1324992E-01 Delta_et -0.1693507E+00 Pxc 0.6626981E+01 Qxc -0.3725744E+01 3,-1 156 3 -1 1.712537 -0.605238 1.707600 Rho 0.3594288E-01 |GRAD(Rho)| 0.4089885E-16 GRAD(Rho)x -0.3859082E-16 GRAD(Rho)y 0.6135430E-17 GRAD(Rho)z 0.1207562E-16 Laplacian 0.1479517E+00 (-1/4)Del**2(Rho)) -0.3698792E-01 Diamond 0.4843445E-01 Metallicity 0.1823258E+01 Ellipticity 0.3738200E-01 Gb(Abramov) 0.3589837E-01 Vb(Abramov) -0.3480881E-01 Hb(Abramov) 0.1089555E-02 Ex_ueg -0.8760635E-02 Ec_ueg -0.1654029E-02 Delta_ex -0.1125536E-01 Delta_ec 0.4484437E-02 Delta_et -0.4329576E-01 Pxc 0.5296543E+01 Qxc -0.2509872E+01 3,-1 157 3 -1 1.998779 -3.022957 0.832478 Rho 0.1019041E+00 |GRAD(Rho)| 0.8348440E-14 GRAD(Rho)x 0.4278065E-14 GRAD(Rho)y 0.2392206E-14 GRAD(Rho)z -0.6758103E-14 Laplacian 0.3864944E+00 (-1/4)Del**2(Rho)) -0.9662359E-01 Diamond 0.4941613E+00 Metallicity 0.3963902E+01 Ellipticity 0.2606796E-01 Gb(Abramov) 0.1282501E+00 Vb(Abramov) -0.1598767E+00 Hb(Abramov) -0.3162655E-01 Ex_ueg -0.3515394E-01 Ec_ueg -0.5440541E-02 Delta_ex -0.3787108E-01 Delta_ec 0.1080422E-01 Delta_et -0.1348014E+00 Pxc 0.6461480E+01 Qxc -0.3505212E+01 3,-1 158 3 -1 1.825507 -2.960619 -0.583074 Rho 0.2152289E+00 |GRAD(Rho)| 0.6015724E-15 GRAD(Rho)x -0.3431500E-15 GRAD(Rho)y -0.1310800E-15 GRAD(Rho)z -0.4763984E-15 Laplacian 0.8238786E+00 (-1/4)Del**2(Rho)) -0.2059697E+00 Diamond 0.2533505E+01 Metallicity 0.6465232E+01 Ellipticity 0.2553241E-01 Gb(Abramov) 0.3592534E+00 Vb(Abramov) -0.5125371E+00 Hb(Abramov) -0.1532837E+00 Ex_ueg -0.9526186E-01 Ec_ueg -0.1274359E-01 Delta_ex -0.9662843E-01 Delta_ec 0.1853664E-01 Delta_et -0.2544757E+00 Pxc 0.7475278E+01 Qxc -0.5212835E+01 3,-1 159 3 -1 1.756637 1.675567 -0.569504 Rho 0.3844942E-01 |GRAD(Rho)| 0.4736099E-16 GRAD(Rho)x 0.2083532E-16 GRAD(Rho)y 0.4125453E-16 GRAD(Rho)z 0.1034492E-16 Laplacian 0.1509522E+00 (-1/4)Del**2(Rho)) -0.3773805E-01 Diamond 0.5201059E-01 Metallicity 0.1999509E+01 Ellipticity 0.2878224E-01 Gb(Abramov) 0.3773496E-01 Vb(Abramov) -0.3773187E-01 Hb(Abramov) 0.3087682E-05 Ex_ueg -0.9584544E-02 Ec_ueg -0.1787131E-02 Delta_ex -0.1154380E-01 Delta_ec 0.4338844E-02 Delta_et -0.4264747E-01 Pxc 0.5363091E+01 Qxc -0.2660570E+01 3,-1 160 3 +3 1.988436 1.930431 -1.939546 Rho 0.1202934E-01 |GRAD(Rho)| 0.1669957E-16 GRAD(Rho)x 0.1508746E-16 GRAD(Rho)y -0.6004008E-17 GRAD(Rho)z 0.3898209E-17 Laplacian 0.5596351E-01 (-1/4)Del**2(Rho)) -0.1399088E-01 Diamond 0.1536132E-02 Metallicity 0.7776390E+00 Ellipticity -0.9449207E+00 Gb(Abramov) 0.1114056E-01 Vb(Abramov) -0.8290243E-02 Hb(Abramov) 0.2850317E-02 Ex_ueg -0.2035671E-02 Ec_ueg -0.4609237E-03 Delta_ex -0.2547008E-02 Delta_ec 0.3592933E-03 Delta_et -0.2977459E-02 Pxc 0.4416503E+01 Qxc -0.7088938E+01 3,+3 161 3 -1 2.012996 2.974172 -0.836326 Rho 0.1371567E+00 |GRAD(Rho)| 0.1896830E-14 GRAD(Rho)x 0.1339193E-14 GRAD(Rho)y -0.1067749E-14 GRAD(Rho)z 0.8151303E-15 Laplacian 0.5362327E+00 (-1/4)Del**2(Rho)) -0.1340582E+00 Diamond 0.9801212E+00 Metallicity 0.4687648E+01 Ellipticity 0.2726935E-01 Gb(Abramov) 0.1941084E+00 Vb(Abramov) -0.2541585E+00 Hb(Abramov) -0.6005019E-01 Ex_ueg -0.5224056E-01 Ec_ueg -0.7626498E-02 Delta_ex -0.5638791E-01 Delta_ec 0.1399212E-01 Delta_et -0.1840052E+00 Pxc 0.6849874E+01 Qxc -0.4029975E+01 3,-1 162 3 -1 1.884907 -0.626135 -2.994311 Rho 0.2364939E+00 |GRAD(Rho)| 0.5929352E-08 GRAD(Rho)x 0.3874982E-08 GRAD(Rho)y 0.3951924E-08 GRAD(Rho)z 0.2126976E-08 Laplacian 0.9036211E+00 (-1/4)Del**2(Rho)) -0.2259053E+00 Diamond 0.3109831E+01 Metallicity 0.6896996E+01 Ellipticity 0.1392658E-01 Gb(Abramov) 0.4102815E+00 Vb(Abramov) -0.5946577E+00 Hb(Abramov) -0.1843762E+00 Ex_ueg -0.1080136E+00 Ec_ueg -0.1419708E-01 Delta_ex -0.1085949E+00 Delta_ec 0.1975883E-01 Delta_et -0.2722928E+00 Pxc 0.7608152E+01 Qxc -0.5496020E+01 3,-1 163 3 -1 2.769805 -0.608765 -1.853359 Rho 0.1301531E+00 |GRAD(Rho)| 0.2492533E-09 GRAD(Rho)x -0.6355636E-10 GRAD(Rho)y 0.1462413E-09 GRAD(Rho)z -0.1915758E-09 Laplacian 0.5303911E+00 (-1/4)Del**2(Rho)) -0.1325978E+00 Diamond 0.9134970E+00 Metallicity 0.4342846E+01 Ellipticity 0.1105834E-01 Gb(Abramov) 0.1843738E+00 Vb(Abramov) -0.2361498E+00 Hb(Abramov) -0.5177603E-01 Ex_ueg -0.4871444E-01 Ec_ueg -0.7185407E-02 Delta_ex -0.5511034E-01 Delta_ec 0.1408399E-01 Delta_et -0.1838009E+00 Pxc 0.6779636E+01 Qxc -0.3912977E+01 3,-1 164 3 -1 2.760159 0.550331 1.852011 Rho 0.1195491E+00 |GRAD(Rho)| 0.8631903E-14 GRAD(Rho)x -0.2976948E-15 GRAD(Rho)y -0.5874282E-14 GRAD(Rho)z 0.6317748E-14 Laplacian 0.5014068E+00 (-1/4)Del**2(Rho)) -0.1253517E+00 Diamond 0.7665836E+00 Metallicity 0.3987190E+01 Ellipticity 0.1318477E-01 Gb(Abramov) 0.1668680E+00 Vb(Abramov) -0.2083843E+00 Hb(Abramov) -0.4151628E-01 Ex_ueg -0.4349576E-01 Ec_ueg -0.6523786E-02 Delta_ex -0.5087350E-01 Delta_ec 0.1326675E-01 Delta_et -0.1701305E+00 Pxc 0.6667258E+01 Qxc -0.3834661E+01 3,-1 165 3 -1 2.796182 1.808478 0.585815 Rho 0.1492157E+00 |GRAD(Rho)| 0.2424976E-14 GRAD(Rho)x -0.4707538E-15 GRAD(Rho)y 0.1508640E-14 GRAD(Rho)z -0.1839268E-14 Laplacian 0.6223828E+00 (-1/4)Del**2(Rho)) -0.1555957E+00 Diamond 0.1250335E+01 Metallicity 0.4647788E+01 Ellipticity 0.1564600E-01 Gb(Abramov) 0.2242598E+00 Vb(Abramov) -0.2929238E+00 Hb(Abramov) -0.6866407E-01 Ex_ueg -0.5845266E-01 Ec_ueg -0.8393325E-02 Delta_ex -0.6672184E-01 Delta_ec 0.1575800E-01 Delta_et -0.2094934E+00 Pxc 0.6964185E+01 Qxc -0.4234156E+01 3,-1 166 3 -1 2.986544 0.816224 -2.014325 Rho 0.8026836E-01 |GRAD(Rho)| 0.1868584E-15 GRAD(Rho)x -0.9846927E-16 GRAD(Rho)y -0.1140428E-15 GRAD(Rho)z -0.1105175E-15 Laplacian 0.3223307E+00 (-1/4)Del**2(Rho)) -0.8058266E-01 Diamond 0.3036980E+00 Metallicity 0.3193147E+01 Ellipticity 0.1223344E-02 Gb(Abramov) 0.9660715E-01 Vb(Abramov) -0.1126316E+00 Hb(Abramov) -0.1602449E-01 Ex_ueg -0.2557276E-01 Ec_ueg -0.4146198E-02 Delta_ex -0.2978374E-01 Delta_ec 0.9270525E-02 Delta_et -0.1098102E+00 Pxc 0.6167760E+01 Qxc -0.3212735E+01 3,-1 167 3 -1 2.763586 -1.837823 -0.625325 Rho 0.1390748E+00 |GRAD(Rho)| 0.1405163E-15 GRAD(Rho)x 0.4826055E-16 GRAD(Rho)y -0.1129332E-15 GRAD(Rho)z 0.6827763E-16 Laplacian 0.5688850E+00 (-1/4)Del**2(Rho)) -0.1422212E+00 Diamond 0.1040908E+01 Metallicity 0.4522056E+01 Ellipticity 0.1153367E-01 Gb(Abramov) 0.2020029E+00 Vb(Abramov) -0.2617845E+00 Hb(Abramov) -0.5978165E-01 Ex_ueg -0.5321689E-01 Ec_ueg -0.7747852E-02 Delta_ex -0.5984296E-01 Delta_ec 0.1447195E-01 Delta_et -0.1900620E+00 Pxc 0.6868599E+01 Qxc -0.4135100E+01 3,-1 168 3 -1 2.953478 -2.007454 0.818506 Rho 0.7583392E-01 |GRAD(Rho)| 0.1269009E-15 GRAD(Rho)x -0.4181039E-16 GRAD(Rho)y -0.8181576E-16 GRAD(Rho)z 0.8753238E-16 Laplacian 0.3005968E+00 (-1/4)Del**2(Rho)) -0.7514921E-01 Diamond 0.2652463E+00 Metallicity 0.3114593E+01 Ellipticity 0.4335997E-02 Gb(Abramov) 0.8910934E-01 Vb(Abramov) -0.1030695E+00 Hb(Abramov) -0.1396013E-01 Ex_ueg -0.2370663E-01 Ec_ueg -0.3886152E-02 Delta_ex -0.2744278E-01 Delta_ec 0.8786240E-02 Delta_et -0.1027856E+00 Pxc 0.6100282E+01 Qxc -0.3123381E+01 3,-1 169 3 -1 2.985825 -0.860666 2.042797 Rho 0.1733556E+00 |GRAD(Rho)| 0.3111008E-14 GRAD(Rho)x -0.1024720E-14 GRAD(Rho)y 0.2154472E-14 GRAD(Rho)z 0.1996640E-14 Laplacian 0.6685990E+00 (-1/4)Del**2(Rho)) -0.1671498E+00 Diamond 0.1595238E+01 Metallicity 0.5554913E+01 Ellipticity 0.6371506E-01 Gb(Abramov) 0.2661836E+00 Vb(Abramov) -0.3652174E+00 Hb(Abramov) -0.9903381E-01 Ex_ueg -0.7138971E-01 Ec_ueg -0.9955015E-02 Delta_ex -0.7428811E-01 Delta_ec 0.1610455E-01 Delta_et -0.2176320E+00 Pxc 0.7171230E+01 Qxc -0.4612864E+01 3,-1 170 3 -1 3.159159 0.032921 3.243223 Rho 0.2289798E+00 |GRAD(Rho)| 0.2871526E-15 GRAD(Rho)x -0.2102810E-15 GRAD(Rho)y 0.4369335E-16 GRAD(Rho)z 0.1906027E-15 Laplacian 0.8201736E+00 (-1/4)Del**2(Rho)) -0.2050434E+00 Diamond 0.2756856E+01 Metallicity 0.7200611E+01 Ellipticity 0.3999259E-02 Gb(Abramov) 0.3827686E+00 Vb(Abramov) -0.5604937E+00 Hb(Abramov) -0.1777252E+00 Ex_ueg -0.1034621E+00 Ec_ueg -0.1368065E-01 Delta_ex -0.9797651E-01 Delta_ec 0.1852828E-01 Delta_et -0.2568226E+00 Pxc 0.7562662E+01 Qxc -0.5287943E+01 3,-1 171 3 -1 3.244030 -0.068119 -3.241891 Rho 0.2333951E+00 |GRAD(Rho)| 0.2487277E-13 GRAD(Rho)x 0.2010848E-13 GRAD(Rho)y 0.1424055E-13 GRAD(Rho)z 0.3392740E-14 Laplacian 0.8579263E+00 (-1/4)Del**2(Rho)) -0.2144816E+00 Diamond 0.2933158E+01 Metallicity 0.7106397E+01 Ellipticity 0.1836731E-01 Gb(Abramov) 0.3970196E+00 Vb(Abramov) -0.5795576E+00 Hb(Abramov) -0.1825380E+00 Ex_ueg -0.1061306E+00 Ec_ueg -0.1398373E-01 Delta_ex -0.1028986E+00 Delta_ec 0.1910015E-01 Delta_et -0.2642552E+00 Pxc 0.7589579E+01 Qxc -0.5387317E+01 3,-1 172 3 -1 3.211139 -3.208574 -0.102772 Rho 0.2235682E+00 |GRAD(Rho)| 0.3251302E-14 GRAD(Rho)x -0.2488298E-14 GRAD(Rho)y 0.2091372E-14 GRAD(Rho)z -0.7415943E-16 Laplacian 0.8180646E+00 (-1/4)Del**2(Rho)) -0.2045161E+00 Diamond 0.2660514E+01 Metallicity 0.6937063E+01 Ellipticity 0.1340520E-01 Gb(Abramov) 0.3728010E+00 Vb(Abramov) -0.5410858E+00 Hb(Abramov) -0.1682848E+00 Ex_ueg -0.1002148E+00 Ec_ueg -0.1331063E-01 Delta_ex -0.9705507E-01 Delta_ec 0.1849039E-01 Delta_et -0.2555026E+00 Pxc 0.7528928E+01 Qxc -0.5248945E+01 3,-1 173 3 -1 -3.368713 -3.091962 0.101428 Rho 0.2302656E+00 |GRAD(Rho)| 0.1441251E-14 GRAD(Rho)x 0.1271390E-14 GRAD(Rho)y 0.6189168E-15 GRAD(Rho)z -0.2787755E-15 Laplacian 0.8474449E+00 (-1/4)Del**2(Rho)) -0.2118612E+00 Diamond 0.2852057E+01 Metallicity 0.7034231E+01 Ellipticity 0.1758303E-02 Gb(Abramov) 0.3896210E+00 Vb(Abramov) -0.5673807E+00 Hb(Abramov) -0.1777597E+00 Ex_ueg -0.1042374E+00 Ec_ueg -0.1376879E-01 Delta_ex -0.1012931E+00 Delta_ec 0.1895549E-01 Delta_et -0.2621611E+00 Pxc 0.7570556E+01 Qxc -0.5343731E+01 3,-1 174 3 -1 -2.840970 -1.769076 0.571568 Rho 0.1499093E+00 |GRAD(Rho)| 0.3493055E-15 GRAD(Rho)x -0.4267691E-16 GRAD(Rho)y -0.1374226E-16 GRAD(Rho)z 0.3464161E-15 Laplacian 0.6233055E+00 (-1/4)Del**2(Rho)) -0.1558264E+00 Diamond 0.1235361E+01 Metallicity 0.4676921E+01 Ellipticity 0.3156524E-01 Gb(Abramov) 0.2253489E+00 Vb(Abramov) -0.2948714E+00 Hb(Abramov) -0.6952249E-01 Ex_ueg -0.5881526E-01 Ec_ueg -0.8437711E-02 Delta_ex -0.6665950E-01 Delta_ec 0.1533914E-01 Delta_et -0.2030756E+00 Pxc 0.6970523E+01 Qxc -0.4345713E+01 3,-1 175 3 -1 -0.891123 -3.476638 -1.245166 Rho 0.3235744E+00 |GRAD(Rho)| 0.8362857E-13 GRAD(Rho)x -0.8096645E-13 GRAD(Rho)y -0.2091955E-13 GRAD(Rho)z 0.7371558E-15 Laplacian -0.1682990E+01 (-1/4)Del**2(Rho)) 0.4207475E+00 Diamond 0.5872897E+01 Metallicity -0.6244370E+01 Ellipticity 0.3789242E-02 Gb(Abramov) 0.1573855E+00 Vb(Abramov) -0.7355185E+00 Hb(Abramov) -0.5781330E+00 Ex_ueg -0.1640655E+00 Ec_ueg -0.2040821E-01 Delta_ex 0.1686432E+00 Delta_ec 0.5815756E-01 Delta_et -0.1388903E+01 Pxc 0.8039191E+01 Qxc 0.2899764E+01 3,-1 176 3 -1 1.990451 0.832606 -3.034554 Rho 0.1322900E+00 |GRAD(Rho)| 0.1208282E-14 GRAD(Rho)x 0.5943054E-15 GRAD(Rho)y -0.9859192E-15 GRAD(Rho)z 0.3670295E-15 Laplacian 0.5072525E+00 (-1/4)Del**2(Rho)) -0.1268131E+00 Diamond 0.8950352E+00 Metallicity 0.4665886E+01 Ellipticity 0.2879428E-01 Gb(Abramov) 0.1831580E+00 Vb(Abramov) -0.2395029E+00 Hb(Abramov) -0.5634489E-01 Ex_ueg -0.4978378E-01 Ec_ueg -0.7319652E-02 Delta_ex -0.5296183E-01 Delta_ec 0.1350418E-01 Delta_et -0.1768675E+00 Pxc 0.6801386E+01 Qxc -0.3921883E+01 3,-1 177 3 -1 3.050928 1.990575 -0.840270 Rho 0.1849783E+00 |GRAD(Rho)| 0.1255987E-15 GRAD(Rho)x -0.8399856E-16 GRAD(Rho)y 0.1626303E-18 GRAD(Rho)z -0.9337691E-16 Laplacian 0.7203586E+00 (-1/4)Del**2(Rho)) -0.1800897E+00 Diamond 0.1868534E+01 Metallicity 0.5744679E+01 Ellipticity 0.5056877E-01 Gb(Abramov) 0.2924860E+00 Vb(Abramov) -0.4048823E+00 Hb(Abramov) -0.1123963E+00 Ex_ueg -0.7784179E-01 Ec_ueg -0.1071910E-01 Delta_ex -0.8143894E-01 Delta_ec 0.1719668E-01 Delta_et -0.2343689E+00 Pxc 0.7261970E+01 Qxc -0.4735736E+01 3,-1 178 3 -1 3.249960 3.188411 0.066708 Rho 0.2403998E+00 |GRAD(Rho)| 0.8747290E-15 GRAD(Rho)x -0.6205973E-15 GRAD(Rho)y -0.6037922E-15 GRAD(Rho)z -0.1242767E-15 Laplacian 0.8713637E+00 (-1/4)Del**2(Rho)) -0.2178409E+00 Diamond 0.3090215E+01 Metallicity 0.7350280E+01 Ellipticity 0.3278867E-02 Gb(Abramov) 0.4120926E+00 Vb(Abramov) -0.6063442E+00 Hb(Abramov) -0.1942517E+00 Ex_ueg -0.1103987E+00 Ec_ueg -0.1446676E-01 Delta_ex -0.1053363E+00 Delta_ec 0.1926118E-01 Delta_et -0.2669112E+00 Pxc 0.7631198E+01 Qxc -0.5468838E+01 3,-1 179 3 -1 -2.144354 -0.881065 -3.295167 Rho 0.2323201E+00 |GRAD(Rho)| 0.7442723E-12 GRAD(Rho)x -0.2889228E-12 GRAD(Rho)y 0.5135308E-12 GRAD(Rho)z 0.4546987E-12 Laplacian 0.8982464E+00 (-1/4)Del**2(Rho)) -0.2245616E+00 Diamond 0.3010856E+01 Metallicity 0.6735384E+01 Ellipticity 0.1747181E-01 Gb(Abramov) 0.4017925E+00 Vb(Abramov) -0.5790234E+00 Hb(Abramov) -0.1772309E+00 Ex_ueg -0.1054793E+00 Ec_ueg -0.1390984E-01 Delta_ex -0.1073653E+00 Delta_ec 0.1959666E-01 Delta_et -0.2692576E+00 Pxc 0.7583074E+01 Qxc -0.5478755E+01 3,-1 180 3 -1 0.552033 1.819182 2.749457 Rho 0.1587311E+00 |GRAD(Rho)| 0.2031240E-15 GRAD(Rho)x 0.1218101E-15 GRAD(Rho)y -0.3962759E-16 GRAD(Rho)z -0.1576430E-15 Laplacian 0.6583101E+00 (-1/4)Del**2(Rho)) -0.1645775E+00 Diamond 0.1420327E+01 Metallicity 0.4871016E+01 Ellipticity 0.1569172E-01 Gb(Abramov) 0.2433283E+00 Vb(Abramov) -0.3220791E+00 Hb(Abramov) -0.7875079E-01 Ex_ueg -0.6347479E-01 Ec_ueg -0.9004756E-02 Delta_ex -0.7162046E-01 Delta_ec 0.1634344E-01 Delta_et -0.2189100E+00 Pxc 0.7049030E+01 Qxc -0.4382215E+01 3,-1 181 3 -1 1.776932 0.532905 2.778571 Rho 0.1087760E+00 |GRAD(Rho)| 0.8056268E-16 GRAD(Rho)x -0.2917859E-16 GRAD(Rho)y -0.7109656E-16 GRAD(Rho)z -0.2417093E-16 Laplacian 0.4537257E+00 (-1/4)Del**2(Rho)) -0.1134314E+00 Diamond 0.6184073E+00 Metallicity 0.3764507E+01 Ellipticity 0.1007920E-01 Gb(Abramov) 0.1467898E+00 Vb(Abramov) -0.1801483E+00 Hb(Abramov) -0.3335842E-01 Ex_ueg -0.3834974E-01 Ec_ueg -0.5859668E-02 Delta_ex -0.4500275E-01 Delta_ec 0.1224936E-01 Delta_et -0.1544202E+00 Pxc 0.6544694E+01 Qxc -0.3673885E+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 77 139 113 124 138 144 123 130 116 117 119 136 122 126 150 141 128 121 180 140 109 112 127 153 167 158 168 157 172 159 165 155 177 161 178 98 75 60 74 87 59 83 174 58 61 78 173 101 72 92 63 179 70 69 68 91 73 95 71 156 164 181 169 145 170 134 163 162 166 176 171 84 67 151 114 110 133 175 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 17 21 21 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 19 28 36 27 52 52 2.391098 2.033632 1.872577 1.994698 1.890664 1.734218 1.707076 1.691587 1.720520 1.721331 2.355458 1.932331 1.926555 1.944867 1.950300 1.741166 2.404005 1.893094 1.879717 2.024800 1.934468 1.744878 2.390896 1.919453 1.757385 2.179430 2.059316 1.743942 2.481288 1.914543 2.014724 1.843012 1.959401 1.743011 2.373709 1.829813 1.965201 1.948817 2.003970 1.748365 2.378971 1.888723 2.061287 1.907152 1.959169 1.731700 2.320766 2.161186 1.952675 2.008076 1.755069 1.755575 2.431965 2.025306 1.879390 1.974992 1.898063 1.732956 2.487122 1.978123 2.018523 1.844060 1.928447 1.734749 2.411360 1.969634 1.749417 2.176426 1.974960 1.754167 3.226148 3.171905 3.052489 3.257420 3.214517 1.938165 0.993120 2.392940 2.034138 1.873369 1.995558 1.891319 1.734237 1.707090 1.691656 1.720536 1.721340 2.357071 1.932742 1.927053 1.945527 1.950928 1.741174 2.405949 1.893554 1.880077 2.025306 1.935073 1.744884 2.392750 1.920026 1.757534 2.180239 2.060012 1.743973 2.482843 1.915038 2.015105 1.843378 1.960002 1.743022 2.375206 1.830110 1.965539 1.949383 2.004547 1.748380 2.381196 1.889535 2.061826 1.907911 1.960704 1.731730 2.323045 2.161534 1.953078 2.008726 1.755083 1.755597 2.433480 2.025851 1.880099 1.975865 1.898707 1.732979 2.488746 1.978740 2.019195 1.844576 1.929156 1.734770 2.412885 1.970039 1.749442 2.176947 1.975537 1.754195 3.231204 3.178151 3.064972 3.260733 3.219009 1.941141 0.993242 27 26 24 26 26 22 23 24 22 20 27 25 24 27 26 23 27 25 26 27 27 23 29 25 24 25 27 23 32 27 28 23 27 23 30 23 26 26 30 24 30 25 27 26 26 22 30 28 27 26 21 24 31 26 27 29 30 25 32 27 25 22 26 22 27 27 24 25 24 23 35 35 33 35 35 25 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 Mo As W W Mo W W Mo W Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.3062 2.4448 2.4736 2.4636 2.2277 2.4520 2.4510 2.3139 2.3776 2.3276 2.2798 2.3451 -1.1157 -1.0309 -1.1225 -1.1166 -0.8975 -0.9584 -0.9332 -0.9413 -0.7623 -0.9339 -0.9795 -0.8969 -0.9644 -0.8995 -0.9584 -0.7516 -0.8850 -0.9386 -0.9491 -0.9418 -0.9099 -0.9845 -0.9251 -0.7959 -0.7674 -0.9820 -0.9099 -0.9740 -0.7273 -0.8334 -0.7974 -0.8119 -0.7512 -0.8084 -0.8197 -0.7188 -0.8285 -0.7293 -0.7341 0.3228 1.9274 0.8337 2.0928 2.0884 1.9795 2.0942 2.0940 1.9774 2.1290 1.9486 1.9596 2.1266 1.9400 1.9490 1.9356 1.9334 1.9420 1.9365 1.9407 1.9333 1.9679 1.9354 1.9295 1.9422 1.9309 1.9431 1.9337 1.9801 1.9549 1.9449 1.9463 1.9434 1.9461 1.9406 1.9468 1.9589 1.8801 1.9426 1.9493 1.9403 1.9735 1.9584 1.9647 1.9621 1.9708 1.9629 1.9610 1.9748 1.9577 1.9742 1.9734 0.5437 6.0897 1.1717 6.0941 6.0906 6.1067 6.0915 6.0935 6.0743 6.1003 6.0689 6.0974 6.1143 5.1387 5.0449 5.1499 5.1464 4.9296 4.9947 4.9621 4.9806 4.7585 4.9711 5.0209 4.9285 5.0039 4.9297 4.9945 4.7405 4.9032 4.9641 4.9722 4.9694 4.9366 5.0127 4.9485 4.8040 4.8585 5.0095 4.9330 5.0022 4.7211 4.8420 4.7977 4.8153 4.7493 4.8108 4.8247 4.7112 4.8380 4.7224 4.7281 0.1335 3.6767 10.5498 3.3101 3.3277 3.6862 3.3332 3.3319 3.6343 3.3645 3.6549 3.6631 3.3858 0.0370 0.0370 0.0369 0.0367 0.0259 0.0273 0.0304 0.0273 0.0358 0.0274 0.0291 0.0262 0.0295 0.0267 0.0302 0.0310 0.0269 0.0296 0.0306 0.0290 0.0271 0.0312 0.0298 0.0331 0.0288 0.0299 0.0277 0.0314 0.0326 0.0330 0.0351 0.0345 0.0310 0.0348 0.0339 0.0329 0.0329 0.0327 0.0325 0.0000 0.0000 0.0000 14.0295 14.0296 0.0000 14.0291 14.0296 0.0000 14.0285 0.0000 0.0000 14.0281 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 Mo As W W Mo W W Mo W Mo Mo 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 3.169859 2.312268 2.514350 2.504558 3.139767 2.500068 2.499461 3.177020 2.493872 3.169165 3.169306 2.464230 -1.204785 -1.071484 -1.092641 -1.133219 -1.181726 -1.103468 -0.957448 -1.078703 -0.827275 -1.068640 -0.971520 -1.179604 -0.972924 -1.171585 -0.965089 -0.959671 -1.143733 -1.070427 -0.950720 -1.062520 -1.170123 -0.961393 -1.074285 -0.844785 -0.712828 -0.965648 -1.161265 -0.958077 -0.997310 -0.880038 -0.832895 -0.850440 -1.026949 -0.846281 -0.861114 -0.987000 -0.873346 -1.000566 -1.007261 0.064860 2.377252 1.706640 1.936072 1.941857 2.342866 1.940773 1.926967 2.364333 1.944590 2.371073 2.363730 1.929745 -0.898395 -0.765589 -0.735781 -0.795009 -0.919234 -0.833143 -0.738346 -0.825731 -0.715350 -0.825854 -0.716103 -0.923930 -0.730101 -0.915171 -0.734678 -0.754621 -0.949380 -0.855089 -0.797858 -0.869703 -0.946669 -0.788470 -0.871036 -0.748806 -0.863897 -0.801657 -0.944476 -0.786601 -0.764027 -0.786741 -0.739049 -0.746997 -0.803275 -0.746757 -0.762251 -0.746071 -0.782691 -0.774843 -0.780972 0.338453 2.464832 1.678353 2.042761 2.041993 2.413646 2.040547 2.027064 2.496513 2.032012 2.457853 2.451472 2.013081 -0.903351 -0.825015 -0.797331 -0.836886 -1.004417 -0.918009 -0.802649 -0.918928 -0.729020 -0.904191 -0.812622 -0.991925 -0.808234 -1.038854 -0.811671 -0.817483 -0.980706 -0.894933 -0.814715 -0.911238 -0.982596 -0.835686 -0.896830 -0.739861 -0.913823 -0.845378 -0.994876 -0.818735 -0.720979 -0.761124 -0.704973 -0.710269 -0.761729 -0.715759 -0.726211 -0.732977 -0.762643 -0.738604 -0.743245 0.468349 -0.11450509 -4.30741595 3.87009883 5.79177076 -15.10772645 3.66350846 -4.77830285 14.92625201 4.76663528 0.18147444 -353.3788 408.2472 -85.7875 -373.0602 -42.7386 -446.7179 Jun10-2024 15:28:28 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:01 Nodes: 1 Procs: 1 Jun10-2024 15:29:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:12 Nodes: 1 Procs: 1 Jun10-2024 15:29:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:26 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -15.82532200 -16.22946861 -16.07922052 -16.15431472 -16.30787248 -16.34705430 -16.38701716 -16.39141860 -16.39336497 -16.39380816 -16.40181065 -16.40646529 -16.40882178 -16.41035392 -16.41403622 -16.41488714 -16.41531111 -16.41580602 -16.41587682 -16.41604232 -16.41616587 -16.41632749 -16.41644491 -16.41648521 -16.41653157 -16.41655261 -16.41656007 -16.41657571 -16.41657920 -16.41658265 GEOMETRY CONVERGED