ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:09 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.63 0.06 1.94 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 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:16 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.66 0.06 1.15 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 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:26 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.04 0.86 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 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:37 Arsenic (TZP, 3p frozen) c10-32 c10-32 c10-32 c10-32 c10-32 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.05 0.06 1.50 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 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:01 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2569.3776000000034 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-0.972207 -0.985324 Rho 0.3190215E+03 3,-3 15 3 -3 0.997704 0.971871 -0.974267 Rho 0.3190194E+03 3,-3 16 3 -3 -0.976906 0.993290 0.965130 Rho 0.3190210E+03 3,-3 17 3 -3 -3.009565 -1.168374 1.158596 Rho 0.3190201E+03 3,-3 18 3 -3 3.004036 -1.160566 -1.154585 Rho 0.3189414E+03 3,-3 19 3 -3 -2.995394 1.157522 -1.135542 Rho 0.3188769E+03 3,-3 20 3 -3 3.003093 1.152653 1.137710 Rho 0.3188741E+03 3,-3 21 3 -3 1.154050 -1.134986 -3.005920 Rho 0.3188782E+03 3,-3 22 3 -3 1.160706 1.138947 3.000357 Rho 0.3188710E+03 3,-3 23 3 -3 -1.167817 1.153395 -2.998791 Rho 0.3189473E+03 3,-3 24 3 -3 -1.158741 -1.153028 3.006255 Rho 0.3189467E+03 3,-3 25 3 -3 -1.147714 3.015267 -1.158414 Rho 0.3189425E+03 3,-3 26 3 -3 -1.144454 -3.005740 1.162579 Rho 0.3189545E+03 3,-3 27 3 -3 1.142307 2.991039 1.158151 Rho 0.3188726E+03 3,-3 28 3 -3 1.145204 -2.999730 -1.168515 Rho 0.3189432E+03 3,-3 29 3 -3 3.418596 -1.522945 1.504112 Rho 0.3190489E+03 3,-3 30 3 -3 -3.414809 -1.518089 -1.499804 Rho 0.3190485E+03 3,-3 31 3 -3 3.412891 1.530958 -1.513521 Rho 0.3189870E+03 3,-3 32 3 -3 -3.413992 1.532219 1.511213 Rho 0.3190603E+03 3,-3 33 3 -3 1.537186 -1.516060 3.408842 Rho 0.3189870E+03 3,-3 34 3 -3 1.526827 1.511744 -3.416639 Rho 0.3190597E+03 3,-3 35 3 -3 -1.515622 1.501765 3.416602 Rho 0.3190464E+03 3,-3 36 3 -3 -1.526238 -1.503677 -3.408198 Rho 0.3189870E+03 3,-3 37 3 -3 -1.508597 -3.413183 -1.530322 Rho 0.3190550E+03 3,-3 38 3 -3 -1.508959 3.413587 1.531495 Rho 0.3189852E+03 3,-3 39 3 -3 1.503533 -3.415896 1.518154 Rho 0.3190616E+03 3,-3 40 3 -3 1.507676 3.419185 -1.521242 Rho 0.3190472E+03 3,-3 41 3 -3 -0.208611 -3.720074 3.777166 Rho 0.3194029E+03 3,-3 42 3 -3 0.213475 -3.721036 -3.771743 Rho 0.3194051E+03 3,-3 43 3 -3 -0.208687 3.730045 -3.790250 Rho 0.3195546E+03 3,-3 44 3 -3 0.207727 3.716877 3.777663 Rho 0.3194044E+03 3,-3 45 3 -3 3.730402 -3.786173 -0.207889 Rho 0.3195552E+03 3,-3 46 3 -3 3.717132 3.775857 0.211801 Rho 0.3194037E+03 3,-3 47 3 -3 -3.718273 3.777430 -0.215691 Rho 0.3194029E+03 3,-3 48 3 -3 -3.727416 -3.787777 0.213728 Rho 0.3195553E+03 3,-3 49 3 -3 -3.775845 0.207313 -3.716587 Rho 0.3194051E+03 3,-3 50 3 -3 -3.792806 -0.207357 3.725796 Rho 0.3195530E+03 3,-3 51 3 -3 3.776701 0.214535 3.717840 Rho 0.3194049E+03 3,-3 52 3 -3 3.775463 -0.210340 -3.722782 Rho 0.3194034E+03 3,-3 53 3 -3 0.004046 0.004145 0.000224 Rho 0.4276077E+05 3,-3 54 3 +1 2.159801 -1.387665 1.077546 Rho 0.2755859E-01 |GRAD(Rho)| 0.6011202E-16 GRAD(Rho)x 0.5274653E-16 GRAD(Rho)y -0.1145735E-16 GRAD(Rho)z 0.2645729E-16 Laplacian 0.1107224E+00 (-1/4)Del**2(Rho)) -0.2768059E-01 Diamond 0.1637260E-01 Metallicity 0.1564850E+01 Ellipticity -0.3558119E+01 Gb(Abramov) 0.2567306E-01 Vb(Abramov) -0.2366552E-01 Hb(Abramov) 0.2007535E-02 Ex_ueg -0.6147912E-02 Ec_ueg -0.1218378E-02 Delta_ex -0.7050520E-02 Delta_ec 0.1846812E-02 Delta_et -0.1669725E-01 Pxc 0.5045980E+01 Qxc -0.3817670E+01 3,+1 55 3 +1 -2.157693 -1.396928 -1.059883 Rho 0.2756448E-01 |GRAD(Rho)| 0.7605708E-16 GRAD(Rho)x -0.3143459E-16 GRAD(Rho)y -0.6197010E-16 GRAD(Rho)z 0.3092332E-16 Laplacian 0.1106195E+00 (-1/4)Del**2(Rho)) -0.2765486E-01 Diamond 0.1613435E-01 Metallicity 0.1566864E+01 Ellipticity -0.3335541E+01 Gb(Abramov) 0.2565848E-01 Vb(Abramov) -0.2366209E-01 Hb(Abramov) 0.1996385E-02 Ex_ueg -0.6149666E-02 Ec_ueg -0.1218679E-02 Delta_ex -0.7022648E-02 Delta_ec 0.1806307E-02 Delta_et -0.1633815E-01 Pxc 0.5046174E+01 Qxc -0.3887848E+01 3,+1 56 3 +1 -1.669115 -0.536978 0.534268 Rho 0.8442847E-02 |GRAD(Rho)| 0.7538323E-16 GRAD(Rho)x 0.5467266E-16 GRAD(Rho)y 0.2616558E-16 GRAD(Rho)z -0.4482070E-16 Laplacian 0.3250938E-01 (-1/4)Del**2(Rho)) -0.8127346E-02 Diamond 0.8705248E-03 Metallicity 0.7420263E+00 Ellipticity -0.1483047E+01 Gb(Abramov) 0.6423348E-02 Vb(Abramov) -0.4719350E-02 Hb(Abramov) 0.1703998E-02 Ex_ueg -0.1269707E-02 Ec_ueg -0.2979542E-03 Delta_ex -0.1488460E-02 Delta_ec 0.4757011E-03 Delta_et -0.3221102E-02 Pxc 0.4261418E+01 Qxc -0.3128983E+01 3,+1 57 3 +1 -0.514645 0.553784 -1.665306 Rho 0.8777158E-02 |GRAD(Rho)| 0.4728905E-13 GRAD(Rho)x 0.4265436E-13 GRAD(Rho)y -0.1580373E-13 GRAD(Rho)z -0.1292682E-13 Laplacian 0.3398828E-01 (-1/4)Del**2(Rho)) -0.8497071E-02 Diamond 0.9436495E-03 Metallicity 0.7571939E+00 Ellipticity -0.1473086E+01 Gb(Abramov) 0.6737036E-02 Vb(Abramov) -0.4977000E-02 Hb(Abramov) 0.1760035E-02 Ex_ueg -0.1337181E-02 Ec_ueg -0.3129136E-03 Delta_ex -0.1564463E-02 Delta_ec 0.4848817E-03 Delta_et -0.3326218E-02 Pxc 0.4273324E+01 Qxc -0.3226485E+01 3,+1 58 3 -1 -1.731017 -0.533028 -1.718244 Rho 0.4814437E-01 |GRAD(Rho)| 0.5146617E-16 GRAD(Rho)x 0.5100028E-16 GRAD(Rho)y 0.3695817E-17 GRAD(Rho)z -0.5837751E-17 Laplacian 0.1970075E+00 (-1/4)Del**2(Rho)) -0.4925187E-01 Diamond 0.9397966E-01 Metallicity 0.2228638E+01 Ellipticity 0.1167418E-01 Gb(Abramov) 0.5112868E-01 Vb(Abramov) -0.5300549E-01 Hb(Abramov) -0.1876812E-02 Ex_ueg -0.1293538E-01 Ec_ueg -0.2312561E-02 Delta_ex -0.1602263E-01 Delta_ec 0.5800148E-02 Delta_et -0.6054057E-01 Pxc 0.5593528E+01 Qxc -0.2762451E+01 3,-1 59 3 -1 -1.758195 0.543975 1.714701 Rho 0.4133573E-01 |GRAD(Rho)| 0.3072774E-16 GRAD(Rho)x 0.2989942E-16 GRAD(Rho)y 0.5419529E-17 GRAD(Rho)z -0.4565931E-17 Laplacian 0.1747408E+00 (-1/4)Del**2(Rho)) -0.4368521E-01 Diamond 0.6974866E-01 Metallicity 0.1948774E+01 Ellipticity 0.1091555E-01 Gb(Abramov) 0.4331224E-01 Vb(Abramov) -0.4293926E-01 Hb(Abramov) 0.3729718E-03 Ex_ueg -0.1055567E-01 Ec_ueg -0.1941863E-02 Delta_ex -0.1379055E-01 Delta_ec 0.5348553E-02 Delta_et -0.5364570E-01 Pxc 0.5435848E+01 Qxc -0.2578370E+01 3,-1 60 3 +1 -1.360254 -2.165307 -1.092926 Rho 0.2775489E-01 |GRAD(Rho)| 0.4791842E-14 GRAD(Rho)x 0.1643951E-14 GRAD(Rho)y 0.3468145E-14 GRAD(Rho)z 0.2868997E-14 Laplacian 0.1121606E+00 (-1/4)Del**2(Rho)) -0.2804015E-01 Diamond 0.1716283E-01 Metallicity 0.1563166E+01 Ellipticity -0.4042528E+01 Gb(Abramov) 0.2599867E-01 Vb(Abramov) -0.2395719E-01 Hb(Abramov) 0.2041481E-02 Ex_ueg -0.6206370E-02 Ec_ueg -0.1228394E-02 Delta_ex -0.7194942E-02 Delta_ec 0.1940722E-02 Delta_et -0.1756513E-01 Pxc 0.5052426E+01 Qxc -0.3707353E+01 3,+1 61 3 -1 -3.175181 -3.233893 0.064753 Rho 0.2425755E+00 |GRAD(Rho)| 0.4315988E-15 GRAD(Rho)x -0.2367898E-15 GRAD(Rho)y -0.3543173E-15 GRAD(Rho)z 0.6831829E-16 Laplacian 0.8619671E+00 (-1/4)Del**2(Rho)) -0.2154918E+00 Diamond 0.3106237E+01 Metallicity 0.7542828E+01 Ellipticity 0.6174518E-03 Gb(Abramov) 0.4145641E+00 Vb(Abramov) -0.6136363E+00 Hb(Abramov) -0.1990723E+00 Ex_ueg -0.1117329E+00 Ec_ueg -0.1461734E-01 Delta_ex -0.1045300E+00 Delta_ec 0.1915257E-01 Delta_et -0.2661555E+00 Pxc 0.7643863E+01 Qxc -0.5457755E+01 3,-1 62 3 -1 -1.799179 -2.793386 0.565162 Rho 0.1351080E+00 |GRAD(Rho)| 0.3839688E-14 GRAD(Rho)x 0.3402010E-14 GRAD(Rho)y 0.2959940E-15 GRAD(Rho)z 0.1755540E-14 Laplacian 0.5691192E+00 (-1/4)Del**2(Rho)) -0.1422798E+00 Diamond 0.1001525E+01 Metallicity 0.4307367E+01 Ellipticity 0.1590981E-01 Gb(Abramov) 0.1969951E+00 Vb(Abramov) -0.2517104E+00 Hb(Abramov) -0.5471529E-01 Ex_ueg -0.5120275E-01 Ec_ueg -0.7497142E-02 Delta_ex -0.5939849E-01 Delta_ec 0.1449394E-01 Delta_et -0.1893502E+00 Pxc 0.6829637E+01 Qxc -0.4098161E+01 3,-1 63 3 +1 1.668746 -0.558697 -0.507533 Rho 0.8793422E-02 |GRAD(Rho)| 0.2198198E-14 GRAD(Rho)x -0.7952663E-15 GRAD(Rho)y 0.1865272E-14 GRAD(Rho)z -0.8487559E-15 Laplacian 0.3409095E-01 (-1/4)Del**2(Rho)) -0.8522737E-02 Diamond 0.9490373E-03 Metallicity 0.7572465E+00 Ellipticity -0.1472669E+01 Gb(Abramov) 0.6757460E-02 Vb(Abramov) -0.4992183E-02 Hb(Abramov) 0.1765277E-02 Ex_ueg -0.1340486E-02 Ec_ueg -0.3136426E-03 Delta_ex -0.1569988E-02 Delta_ec 0.4864604E-03 Delta_et -0.3338549E-02 Pxc 0.4273928E+01 Qxc -0.3227371E+01 3,+1 64 3 -1 -3.167033 3.228766 -0.071854 Rho 0.2523727E+00 |GRAD(Rho)| 0.3209090E-10 GRAD(Rho)x -0.2238105E-10 GRAD(Rho)y 0.2225589E-10 GRAD(Rho)z -0.5795723E-11 Laplacian 0.9202606E+00 (-1/4)Del**2(Rho)) -0.2300651E+00 Diamond 0.3442145E+01 Metallicity 0.7546975E+01 Ellipticity 0.1718931E-02 Gb(Abramov) 0.4427594E+00 Vb(Abramov) -0.6554537E+00 Hb(Abramov) -0.2126943E+00 Ex_ueg -0.1177899E+00 Ec_ueg -0.1529859E-01 Delta_ex -0.1125821E+00 Delta_ec 0.1988621E-01 Delta_et -0.2751820E+00 Pxc 0.7699398E+01 Qxc -0.5661318E+01 3,-1 65 3 -1 -1.782524 2.795300 -0.573782 Rho 0.1521784E+00 |GRAD(Rho)| 0.1038779E-15 GRAD(Rho)x 0.3488420E-16 GRAD(Rho)y 0.8565197E-17 GRAD(Rho)z 0.9746978E-16 Laplacian 0.6389841E+00 (-1/4)Del**2(Rho)) -0.1597460E+00 Diamond 0.1312178E+01 Metallicity 0.4677835E+01 Ellipticity 0.1446609E-01 Gb(Abramov) 0.2310416E+00 Vb(Abramov) -0.3023372E+00 Hb(Abramov) -0.7129557E-01 Ex_ueg -0.6000523E-01 Ec_ueg -0.8583109E-02 Delta_ex -0.6881254E-01 Delta_ec 0.1606121E-01 Delta_et -0.2140123E+00 Pxc 0.6991083E+01 Qxc -0.4284394E+01 3,-1 66 3 -1 -3.001529 -0.861079 -1.968029 Rho 0.1467061E+00 |GRAD(Rho)| 0.4654375E-16 GRAD(Rho)x -0.2840610E-16 GRAD(Rho)y 0.1557185E-16 GRAD(Rho)z 0.3342053E-16 Laplacian 0.5770402E+00 (-1/4)Del**2(Rho)) -0.1442600E+00 Diamond 0.1143166E+01 Metallicity 0.4873271E+01 Ellipticity 0.4152769E-01 Gb(Abramov) 0.2133431E+00 Vb(Abramov) -0.2824261E+00 Hb(Abramov) -0.6908303E-01 Ex_ueg -0.5714556E-01 Ec_ueg -0.8232989E-02 Delta_ex -0.6167874E-01 Delta_ec 0.1480525E-01 Delta_et -0.1966579E+00 Pxc 0.6941046E+01 Qxc -0.4166004E+01 3,-1 67 3 +1 -2.895054 -0.176272 -0.154493 Rho 0.5282442E-02 |GRAD(Rho)| 0.6144264E-16 GRAD(Rho)x -0.4795298E-16 GRAD(Rho)y -0.2573024E-16 GRAD(Rho)z -0.2852481E-16 Laplacian 0.2178513E-01 (-1/4)Del**2(Rho)) -0.5446283E-02 Diamond 0.5260792E-03 Metallicity 0.5068088E+00 Ellipticity -0.2640173E+01 Gb(Abramov) 0.4090893E-02 Vb(Abramov) -0.2735502E-02 Hb(Abramov) 0.1355390E-02 Ex_ueg -0.6794612E-03 Ec_ueg -0.1590876E-03 Delta_ex -0.1076685E-02 Delta_ec 0.6537844E-03 Delta_et -0.3622583E-02 Pxc 0.4270988E+01 Qxc -0.1646850E+01 3,+1 68 3 -1 -2.896991 -0.001732 0.017643 Rho 0.5322493E-02 |GRAD(Rho)| 0.1313675E-16 GRAD(Rho)x 0.1061591E-16 GRAD(Rho)y 0.3765541E-17 GRAD(Rho)z 0.6759989E-17 Laplacian 0.2134444E-01 (-1/4)Del**2(Rho)) -0.5336110E-02 Diamond 0.6275898E-03 Metallicity 0.5238258E+00 Ellipticity 0.2851150E+01 Gb(Abramov) 0.4023272E-02 Vb(Abramov) -0.2710434E-02 Hb(Abramov) 0.1312838E-02 Ex_ueg -0.6863388E-03 Ec_ueg -0.1608173E-03 Delta_ex -0.1147799E-02 Delta_ec 0.8035963E-03 Delta_et -0.4394078E-02 Pxc 0.4267817E+01 Qxc -0.1428328E+01 3,-1 69 3 +1 -1.233159 -1.213414 -2.172814 Rho 0.2954181E-01 |GRAD(Rho)| 0.2816093E-16 GRAD(Rho)x -0.1762558E-16 GRAD(Rho)y 0.1423269E-16 GRAD(Rho)z -0.1672746E-16 Laplacian 0.1220089E+00 (-1/4)Del**2(Rho)) -0.3050223E-01 Diamond 0.2190827E-01 Metallicity 0.1594472E+01 Ellipticity -0.9354416E+01 Gb(Abramov) 0.2844065E-01 Vb(Abramov) -0.2637906E-01 Hb(Abramov) 0.2061587E-02 Ex_ueg -0.6744782E-02 Ec_ueg -0.1319998E-02 Delta_ex -0.8094844E-02 Delta_ec 0.2353705E-02 Delta_et -0.2160082E-01 Pxc 0.5109693E+01 Qxc -0.3439192E+01 3,+1 70 3 -1 -2.800374 -0.566273 1.801895 Rho 0.1390209E+00 |GRAD(Rho)| 0.2041740E-15 GRAD(Rho)x 0.9911302E-16 GRAD(Rho)y 0.1058994E-15 GRAD(Rho)z 0.1436974E-15 Laplacian 0.5817692E+00 (-1/4)Del**2(Rho)) -0.1454423E+00 Diamond 0.1058695E+01 Metallicity 0.4419054E+01 Ellipticity 0.2004125E-01 Gb(Abramov) 0.2040811E+00 Vb(Abramov) -0.2627199E+00 Hb(Abramov) -0.5863880E-01 Ex_ueg -0.5318942E-01 Ec_ueg -0.7744442E-02 Delta_ex -0.6113416E-01 Delta_ec 0.1469693E-01 Delta_et -0.1927874E+00 Pxc 0.6868076E+01 Qxc -0.4159654E+01 3,-1 71 3 +1 -2.890635 0.161143 0.179224 Rho 0.5289078E-02 |GRAD(Rho)| 0.2210561E-15 GRAD(Rho)x 0.2203039E-15 GRAD(Rho)y 0.1791054E-16 GRAD(Rho)z 0.3347183E-17 Laplacian 0.2184944E-01 (-1/4)Del**2(Rho)) -0.5462360E-02 Diamond 0.5327224E-03 Metallicity 0.5063757E+00 Ellipticity -0.2755041E+01 Gb(Abramov) 0.4102575E-02 Vb(Abramov) -0.2742789E-02 Hb(Abramov) 0.1359786E-02 Ex_ueg -0.6805997E-03 Ec_ueg -0.1593742E-03 Delta_ex -0.1083748E-02 Delta_ec 0.6621720E-03 Delta_et -0.3667712E-02 Pxc 0.4270452E+01 Qxc -0.1636657E+01 3,+1 72 3 -1 -3.223322 0.059249 -3.170727 Rho 0.2526875E+00 |GRAD(Rho)| 0.1404226E-14 GRAD(Rho)x 0.1234147E-14 GRAD(Rho)y 0.5012267E-15 GRAD(Rho)z 0.4444145E-15 Laplacian 0.9202579E+00 (-1/4)Del**2(Rho)) -0.2300645E+00 Diamond 0.3448345E+01 Metallicity 0.7562691E+01 Ellipticity 0.1351017E-02 Gb(Abramov) 0.4433608E+00 Vb(Abramov) -0.6566571E+00 Hb(Abramov) -0.2132963E+00 Ex_ueg -0.1179859E+00 Ec_ueg -0.1532057E-01 Delta_ex -0.1126239E+00 Delta_ec 0.1988781E-01 Delta_et -0.2752536E+00 Pxc 0.7701142E+01 Qxc -0.5662962E+01 3,-1 73 3 +1 -1.751529 -1.745899 1.744731 Rho 0.1209255E-01 |GRAD(Rho)| 0.2593191E-16 GRAD(Rho)x 0.4290400E-17 GRAD(Rho)y -0.1982428E-16 GRAD(Rho)z -0.1615717E-16 Laplacian 0.6104963E-01 (-1/4)Del**2(Rho)) -0.1526241E-01 Diamond 0.2477640E-02 Metallicity 0.7191063E+00 Ellipticity -0.1248769E+01 Gb(Abramov) 0.1200415E-01 Vb(Abramov) -0.8745900E-02 Hb(Abramov) 0.3258253E-02 Ex_ueg -0.2049944E-02 Ec_ueg -0.4638429E-03 Delta_ex -0.3008509E-02 Delta_ec 0.7952115E-03 Delta_et -0.5971838E-02 Pxc 0.4419479E+01 Qxc -0.3783281E+01 3,+1 74 3 -1 -3.241963 -0.058676 3.170196 Rho 0.2423462E+00 |GRAD(Rho)| 0.4547627E-15 GRAD(Rho)x -0.3905838E-15 GRAD(Rho)y -0.1871875E-15 GRAD(Rho)z 0.1386152E-15 Laplacian 0.8611176E+00 (-1/4)Del**2(Rho)) -0.2152794E+00 Diamond 0.3099764E+01 Metallicity 0.7538375E+01 Ellipticity 0.1083829E-02 Gb(Abramov) 0.4139957E+00 Vb(Abramov) -0.6127121E+00 Hb(Abramov) -0.1987163E+00 Ex_ueg -0.1115921E+00 Ec_ueg -0.1460145E-01 Delta_ex -0.1044018E+00 Delta_ec 0.1914018E-01 Delta_et -0.2659795E+00 Pxc 0.7642533E+01 Qxc -0.5454590E+01 3,-1 75 3 +1 -0.543008 -1.663488 0.524707 Rho 0.8723899E-02 |GRAD(Rho)| 0.2803277E-12 GRAD(Rho)x 0.2055347E-12 GRAD(Rho)y -0.1061850E-12 GRAD(Rho)z -0.1583157E-12 Laplacian 0.3391838E-01 (-1/4)Del**2(Rho)) -0.8479596E-02 Diamond 0.9339878E-03 Metallicity 0.7510965E+00 Ellipticity -0.1465992E+01 Gb(Abramov) 0.6714563E-02 Vb(Abramov) -0.4949530E-02 Hb(Abramov) 0.1765033E-02 Ex_ueg -0.1326374E-02 Ec_ueg -0.3105271E-03 Delta_ex -0.1558870E-02 Delta_ec 0.4839306E-03 Delta_et -0.3314453E-02 Pxc 0.4271362E+01 Qxc -0.3221268E+01 3,+1 76 3 -1 -1.720554 -1.750016 -0.537028 Rho 0.4149927E-01 |GRAD(Rho)| 0.1827126E-16 GRAD(Rho)x -0.6511566E-18 GRAD(Rho)y 0.6893366E-17 GRAD(Rho)z 0.1690847E-16 Laplacian 0.1754716E+00 (-1/4)Del**2(Rho)) -0.4386791E-01 Diamond 0.7046154E-01 Metallicity 0.1953471E+01 Ellipticity 0.8741054E-02 Gb(Abramov) 0.4352772E-01 Vb(Abramov) -0.4318753E-01 Hb(Abramov) 0.3401904E-03 Ex_ueg -0.1061139E-01 Ec_ueg -0.1950675E-02 Delta_ex -0.1386418E-01 Delta_ec 0.5375152E-02 Delta_et -0.5397060E-01 Pxc 0.5439856E+01 Qxc -0.2579309E+01 3,-1 77 3 -1 -2.755770 1.819647 -0.557947 Rho 0.1387422E+00 |GRAD(Rho)| 0.1623477E-15 GRAD(Rho)x -0.1137802E-15 GRAD(Rho)y -0.9141180E-16 GRAD(Rho)z -0.7109656E-16 Laplacian 0.5842314E+00 (-1/4)Del**2(Rho)) -0.1460578E+00 Diamond 0.1080071E+01 Metallicity 0.4385739E+01 Ellipticity 0.7230824E-02 Gb(Abramov) 0.2041338E+00 Vb(Abramov) -0.2622098E+00 Hb(Abramov) -0.5807598E-01 Ex_ueg -0.5304730E-01 Ec_ueg -0.7726797E-02 Delta_ex -0.6157784E-01 Delta_ec 0.1515036E-01 Delta_et -0.1994847E+00 Pxc 0.6865368E+01 Qxc -0.4064446E+01 3,-1 78 3 +1 -2.168063 1.104369 1.352395 Rho 0.2794496E-01 |GRAD(Rho)| 0.1163309E-15 GRAD(Rho)x -0.8782897E-16 GRAD(Rho)y -0.2268109E-16 GRAD(Rho)z 0.7283210E-16 Laplacian 0.1133110E+00 (-1/4)Del**2(Rho)) -0.2832775E-01 Diamond 0.1775535E-01 Metallicity 0.1564997E+01 Ellipticity -0.4447537E+01 Gb(Abramov) 0.2627397E-01 Vb(Abramov) -0.2422020E-01 Hb(Abramov) 0.2053775E-02 Ex_ueg -0.6263105E-02 Ec_ueg -0.1238101E-02 Delta_ex -0.7305712E-02 Delta_ec 0.2002872E-02 Delta_et -0.1815144E-01 Pxc 0.5058637E+01 Qxc -0.3647618E+01 3,+1 79 3 -1 -2.974122 2.011815 0.845807 Rho 0.1314621E+00 |GRAD(Rho)| 0.5976360E-12 GRAD(Rho)x 0.2606349E-12 GRAD(Rho)y 0.3252220E-12 GRAD(Rho)z -0.4283327E-12 Laplacian 0.5164739E+00 (-1/4)Del**2(Rho)) -0.1291185E+00 Diamond 0.8984204E+00 Metallicity 0.4534879E+01 Ellipticity 0.2638359E-01 Gb(Abramov) 0.1836684E+00 Vb(Abramov) -0.2382184E+00 Hb(Abramov) -0.5454996E-01 Ex_ueg -0.4936879E-01 Ec_ueg -0.7267605E-02 Delta_ex -0.5377151E-01 Delta_ec 0.1364220E-01 Delta_et -0.1782530E+00 Pxc 0.6792993E+01 Qxc -0.3941557E+01 3,-1 80 3 -1 -2.979593 -2.013775 -0.839348 Rho 0.1265479E+00 |GRAD(Rho)| 0.5103924E-16 GRAD(Rho)x 0.1938011E-17 GRAD(Rho)y 0.5072711E-16 GRAD(Rho)z -0.5292262E-17 Laplacian 0.4945609E+00 (-1/4)Del**2(Rho)) -0.1236402E+00 Diamond 0.8105227E+00 Metallicity 0.4444451E+01 Ellipticity 0.4151679E-01 Gb(Abramov) 0.1740123E+00 Vb(Abramov) -0.2243844E+00 Hb(Abramov) -0.5037208E-01 Ex_ueg -0.4692362E-01 Ec_ueg -0.6959609E-02 Delta_ex -0.5087969E-01 Delta_ec 0.1293041E-01 Delta_et -0.1674461E+00 Pxc 0.6742279E+01 Qxc -0.3934887E+01 3,-1 81 3 -1 -2.769043 -1.838579 0.559625 Rho 0.1241666E+00 |GRAD(Rho)| 0.1264144E-12 GRAD(Rho)x 0.1083897E-13 GRAD(Rho)y -0.9929393E-13 GRAD(Rho)z -0.7748436E-13 Laplacian 0.5174008E+00 (-1/4)Del**2(Rho)) -0.1293502E+00 Diamond 0.8263220E+00 Metallicity 0.4115861E+01 Ellipticity 0.5995262E-02 Gb(Abramov) 0.1749647E+00 Vb(Abramov) -0.2205792E+00 Hb(Abramov) -0.4561451E-01 Ex_ueg -0.4575004E-01 Ec_ueg -0.6810947E-02 Delta_ex -0.5295487E-01 Delta_ec 0.1353176E-01 Delta_et -0.1745833E+00 Pxc 0.6717133E+01 Qxc -0.3913376E+01 3,-1 82 3 +3 -2.320996 -0.017780 0.008570 Rho 0.4630941E-02 |GRAD(Rho)| 0.6986385E-17 GRAD(Rho)x -0.6978878E-17 GRAD(Rho)y -0.6953684E-19 GRAD(Rho)z 0.3162373E-18 Laplacian 0.1889085E-01 (-1/4)Del**2(Rho)) -0.4722712E-02 Diamond 0.1722448E-03 Metallicity 0.4693287E+00 Ellipticity -0.3176004E+00 Gb(Abramov) 0.3517892E-02 Vb(Abramov) -0.2313072E-02 Hb(Abramov) 0.1204820E-02 Ex_ueg -0.5700908E-03 Ec_ueg -0.1310654E-03 Delta_ex -0.6939468E-03 Delta_ec 0.1814008E-03 Delta_et -0.1131167E-02 Pxc 0.4349666E+01 Qxc -0.3825490E+01 3,+3 83 3 -1 -1.820312 0.559165 -2.761059 Rho 0.1366529E+00 |GRAD(Rho)| 0.4041382E-14 GRAD(Rho)x -0.2960007E-14 GRAD(Rho)y -0.2655116E-14 GRAD(Rho)z 0.7221396E-15 Laplacian 0.5732922E+00 (-1/4)Del**2(Rho)) -0.1433230E+00 Diamond 0.1040222E+01 Metallicity 0.4357812E+01 Ellipticity 0.1011152E-01 Gb(Abramov) 0.1996445E+00 Vb(Abramov) -0.2559659E+00 Hb(Abramov) -0.5632145E-01 Ex_ueg -0.5198485E-01 Ec_ueg -0.7594660E-02 Delta_ex -0.6019716E-01 Delta_ec 0.1491174E-01 Delta_et -0.1958652E+00 Pxc 0.6844920E+01 Qxc -0.4036898E+01 3,-1 84 3 +1 -1.653472 0.530398 -0.536939 Rho 0.9065076E-02 |GRAD(Rho)| 0.1348996E-12 GRAD(Rho)x 0.1155169E-12 GRAD(Rho)y -0.4907919E-13 GRAD(Rho)z 0.4944682E-13 Laplacian 0.3539407E-01 (-1/4)Del**2(Rho)) -0.8848516E-02 Diamond 0.1007597E-02 Metallicity 0.7673057E+00 Ellipticity -0.1455422E+01 Gb(Abramov) 0.7030597E-02 Vb(Abramov) -0.5212678E-02 Hb(Abramov) 0.1817919E-02 Ex_ueg -0.1395984E-02 Ec_ueg -0.3258366E-03 Delta_ex -0.1634447E-02 Delta_ec 0.4904712E-03 Delta_et -0.3404030E-02 Pxc 0.4284306E+01 Qxc -0.3332402E+01 3,+1 85 3 +1 -0.190249 0.177892 2.899141 Rho 0.5358492E-02 |GRAD(Rho)| 0.3141062E-17 GRAD(Rho)x 0.2640868E-18 GRAD(Rho)y -0.2757003E-18 GRAD(Rho)z -0.3117774E-17 Laplacian 0.2222166E-01 (-1/4)Del**2(Rho)) -0.5555414E-02 Diamond 0.5233225E-03 Metallicity 0.5088320E+00 Ellipticity -0.2206659E+01 Gb(Abramov) 0.4174738E-02 Vb(Abramov) -0.2794062E-02 Hb(Abramov) 0.1380676E-02 Ex_ueg -0.6925352E-03 Ec_ueg -0.1623727E-03 Delta_ex -0.1081291E-02 Delta_ec 0.6310327E-03 Delta_et -0.3526547E-02 Pxc 0.4265098E+01 Qxc -0.1713527E+01 3,+1 86 3 +1 0.539226 1.657290 0.525941 Rho 0.9163048E-02 |GRAD(Rho)| 0.1128127E-15 GRAD(Rho)x -0.4993213E-16 GRAD(Rho)y -0.7991706E-16 GRAD(Rho)z -0.6202223E-16 Laplacian 0.3570255E-01 (-1/4)Del**2(Rho)) -0.8925637E-02 Diamond 0.1030752E-02 Metallicity 0.7744272E+00 Ellipticity -0.1461444E+01 Gb(Abramov) 0.7102467E-02 Vb(Abramov) -0.5279297E-02 Hb(Abramov) 0.1823170E-02 Ex_ueg -0.1416136E-02 Ec_ueg -0.3302423E-03 Delta_ex -0.1652955E-02 Delta_ec 0.4942711E-03 Delta_et -0.3440205E-02 Pxc 0.4288173E+01 Qxc -0.3344227E+01 3,+1 87 3 -1 -2.780311 0.563108 -1.782391 Rho 0.1425222E+00 |GRAD(Rho)| 0.2264859E-14 GRAD(Rho)x 0.2866088E-15 GRAD(Rho)y -0.1631602E-14 GRAD(Rho)z -0.1544446E-14 Laplacian 0.6014420E+00 (-1/4)Del**2(Rho)) -0.1503605E+00 Diamond 0.1145495E+01 Metallicity 0.4455439E+01 Ellipticity 0.9204847E-02 Gb(Abramov) 0.2118940E+00 Vb(Abramov) -0.2734275E+00 Hb(Abramov) -0.6153351E-01 Ex_ueg -0.5498302E-01 Ec_ueg -0.7966562E-02 Delta_ex -0.6377747E-01 Delta_ec 0.1543998E-01 Delta_et -0.2040052E+00 Pxc 0.6901725E+01 Qxc -0.4130671E+01 3,-1 88 3 -1 -2.017812 0.842070 2.976435 Rho 0.1235570E+00 |GRAD(Rho)| 0.1919390E-15 GRAD(Rho)x -0.3066937E-16 GRAD(Rho)y -0.1593642E-15 GRAD(Rho)z -0.1024842E-15 Laplacian 0.4821096E+00 (-1/4)Del**2(Rho)) -0.1205274E+00 Diamond 0.7681495E+00 Metallicity 0.4381064E+01 Ellipticity 0.3678385E-01 Gb(Abramov) 0.1683580E+00 Vb(Abramov) -0.2161885E+00 Hb(Abramov) -0.4783057E-01 Ex_ueg -0.4545079E-01 Ec_ueg -0.6772951E-02 Delta_ex -0.4931979E-01 Delta_ec 0.1268643E-01 Delta_et -0.1636530E+00 Pxc 0.6710634E+01 Qxc -0.3887602E+01 3,-1 89 3 +3 -1.087357 1.123778 -1.118134 Rho 0.5251054E-02 |GRAD(Rho)| 0.2486951E-14 GRAD(Rho)x 0.1158250E-14 GRAD(Rho)y -0.1448099E-14 GRAD(Rho)z 0.1657224E-14 Laplacian 0.2038516E-01 (-1/4)Del**2(Rho)) -0.5096289E-02 Diamond 0.1509303E-03 Metallicity 0.5362615E+00 Ellipticity -0.9820912E-01 Gb(Abramov) 0.3853017E-02 Vb(Abramov) -0.2609744E-02 Hb(Abramov) 0.1243272E-02 Ex_ueg -0.6740836E-03 Ec_ueg -0.1577326E-03 Delta_ex -0.7128117E-03 Delta_ec 0.8775958E-04 Delta_et -0.7064346E-03 Pxc 0.4273583E+01 Qxc -0.8122324E+01 3,+3 90 3 +1 -1.736269 1.752204 -1.740977 Rho 0.1223949E-01 |GRAD(Rho)| 0.1129744E-16 GRAD(Rho)x -0.3688226E-17 GRAD(Rho)y -0.1066569E-16 GRAD(Rho)z 0.5218361E-18 Laplacian 0.6181128E-01 (-1/4)Del**2(Rho)) -0.1545282E-01 Diamond 0.2539478E-02 Metallicity 0.7246881E+00 Ellipticity -0.1249015E+01 Gb(Abramov) 0.1216829E-01 Vb(Abramov) -0.8883764E-02 Hb(Abramov) 0.3284528E-02 Ex_ueg -0.2083225E-02 Ec_ueg -0.4706361E-03 Delta_ex -0.3052679E-02 Delta_ec 0.7996160E-03 Delta_et -0.6026857E-02 Pxc 0.4426404E+01 Qxc -0.3817681E+01 3,+1 91 3 -1 -1.982091 -3.006163 -0.857729 Rho 0.1358588E+00 |GRAD(Rho)| 0.4266442E-15 GRAD(Rho)x 0.4075109E-15 GRAD(Rho)y 0.5201460E-16 GRAD(Rho)z -0.1151287E-15 Laplacian 0.5329780E+00 (-1/4)Del**2(Rho)) -0.1332445E+00 Diamond 0.9506829E+00 Metallicity 0.4642126E+01 Ellipticity 0.5245140E-01 Gb(Abramov) 0.1919193E+00 Vb(Abramov) -0.2505941E+00 Hb(Abramov) -0.5867480E-01 Ex_ueg -0.5158248E-01 Ec_ueg -0.7544516E-02 Delta_ex -0.5577541E-01 Delta_ec 0.1368697E-01 Delta_et -0.1792259E+00 Pxc 0.6837082E+01 Qxc -0.4075074E+01 3,-1 92 3 +3 -1.127315 -1.100539 1.102264 Rho 0.5121192E-02 |GRAD(Rho)| 0.1188112E-15 GRAD(Rho)x 0.1110848E-15 GRAD(Rho)y 0.4142255E-16 GRAD(Rho)z -0.7775000E-17 Laplacian 0.1980528E-01 (-1/4)Del**2(Rho)) -0.4951320E-02 Diamond 0.1431936E-03 Metallicity 0.5294000E+00 Ellipticity -0.8922602E-01 Gb(Abramov) 0.3737752E-02 Vb(Abramov) -0.2524183E-02 Hb(Abramov) 0.1213569E-02 Ex_ueg -0.6519483E-03 Ec_ueg -0.1521319E-03 Delta_ex -0.6890726E-03 Delta_ec 0.8768214E-04 Delta_et -0.6957299E-03 Pxc 0.4285414E+01 Qxc -0.7858756E+01 3,+3 93 3 +1 -0.164782 -2.890253 -0.164259 Rho 0.5280429E-02 |GRAD(Rho)| 0.9199544E-17 GRAD(Rho)x 0.8303531E-17 GRAD(Rho)y -0.2731308E-19 GRAD(Rho)z -0.3960081E-17 Laplacian 0.2179944E-01 (-1/4)Del**2(Rho)) -0.5449859E-02 Diamond 0.5351835E-03 Metallicity 0.5061546E+00 Ellipticity -0.2893868E+01 Gb(Abramov) 0.4092985E-02 Vb(Abramov) -0.2736110E-02 Hb(Abramov) 0.1356875E-02 Ex_ueg -0.6791160E-03 Ec_ueg -0.1590007E-03 Delta_ex -0.1085106E-02 Delta_ec 0.6681317E-03 Delta_et -0.3695793E-02 Pxc 0.4271152E+01 Qxc -0.1624090E+01 3,+1 94 3 -1 -1.708799 1.748667 0.521185 Rho 0.4894432E-01 |GRAD(Rho)| 0.2520874E-15 GRAD(Rho)x -0.2061797E-15 GRAD(Rho)y 0.1247688E-15 GRAD(Rho)z -0.7396461E-16 Laplacian 0.2005025E+00 (-1/4)Del**2(Rho)) -0.5012561E-01 Diamond 0.9800682E-01 Metallicity 0.2250767E+01 Ellipticity 0.1235627E-01 Gb(Abramov) 0.5222059E-01 Vb(Abramov) -0.5431557E-01 Hb(Abramov) -0.2094978E-02 Ex_ueg -0.1322274E-01 Ec_ueg -0.2356603E-02 Delta_ex -0.1638324E-01 Delta_ec 0.5917564E-02 Delta_et -0.6203689E-01 Pxc 0.5610931E+01 Qxc -0.2768579E+01 3,-1 95 3 -1 -1.968838 3.004615 0.859967 Rho 0.1436280E+00 |GRAD(Rho)| 0.4217123E-15 GRAD(Rho)x -0.3565399E-15 GRAD(Rho)y -0.2118396E-15 GRAD(Rho)z 0.7644981E-16 Laplacian 0.5660223E+00 (-1/4)Del**2(Rho)) -0.1415056E+00 Diamond 0.1092414E+01 Metallicity 0.4795618E+01 Ellipticity 0.4000143E-01 Gb(Abramov) 0.2074382E+00 Vb(Abramov) -0.2733708E+00 Hb(Abramov) -0.6593260E-01 Ex_ueg -0.5555251E-01 Ec_ueg -0.8036868E-02 Delta_ex -0.6018062E-01 Delta_ec 0.1458470E-01 Delta_et -0.1931000E+00 Pxc 0.6912210E+01 Qxc -0.4126285E+01 3,-1 96 3 +1 -1.407602 1.058006 2.155959 Rho 0.2741588E-01 |GRAD(Rho)| 0.6467594E-16 GRAD(Rho)x -0.2972390E-16 GRAD(Rho)y 0.9762941E-17 GRAD(Rho)z 0.5660523E-16 Laplacian 0.1096620E+00 (-1/4)Del**2(Rho)) -0.2741549E-01 Diamond 0.1563656E-01 Metallicity 0.1566369E+01 Ellipticity -0.3133339E+01 Gb(Abramov) 0.2543412E-01 Vb(Abramov) -0.2345276E-01 Hb(Abramov) 0.1981367E-02 Ex_ueg -0.6105501E-02 Ec_ueg -0.1211103E-02 Delta_ex -0.6928711E-02 Delta_ec 0.1749629E-02 Delta_et -0.1581219E-01 Pxc 0.5041275E+01 Qxc -0.3960103E+01 3,+1 97 3 +1 -0.504697 1.673569 -0.560260 Rho 0.8746681E-02 |GRAD(Rho)| 0.9875187E-15 GRAD(Rho)x 0.6780349E-15 GRAD(Rho)y -0.7019970E-15 GRAD(Rho)z -0.1505390E-15 Laplacian 0.3392055E-01 (-1/4)Del**2(Rho)) -0.8480138E-02 Diamond 0.9359777E-03 Metallicity 0.7543202E+00 Ellipticity -0.1468072E+01 Gb(Abramov) 0.6719548E-02 Vb(Abramov) -0.4958959E-02 Hb(Abramov) 0.1760589E-02 Ex_ueg -0.1330994E-02 Ec_ueg -0.3115478E-03 Delta_ex -0.1559383E-02 Delta_ec 0.4828637E-03 Delta_et -0.3310245E-02 Pxc 0.4272198E+01 Qxc -0.3229448E+01 3,+1 98 3 +1 -0.150048 2.886896 0.148321 Rho 0.5474974E-02 |GRAD(Rho)| 0.7513971E-17 GRAD(Rho)x 0.6535524E-17 GRAD(Rho)y 0.1086151E-17 GRAD(Rho)z 0.3544991E-17 Laplacian 0.2238010E-01 (-1/4)Del**2(Rho)) -0.5595026E-02 Diamond 0.5837342E-03 Metallicity 0.5236661E+00 Ellipticity -0.3733566E+01 Gb(Abramov) 0.4218338E-02 Vb(Abramov) -0.2841651E-02 Hb(Abramov) 0.1376688E-02 Ex_ueg -0.7126798E-03 Ec_ueg -0.1674098E-03 Delta_ex -0.1127645E-02 Delta_ec 0.6960540E-03 Delta_et -0.3887966E-02 Pxc 0.4257098E+01 Qxc -0.1620054E+01 3,+1 99 3 +1 -0.153858 -0.138058 -2.887531 Rho 0.5417837E-02 |GRAD(Rho)| 0.1943744E-15 GRAD(Rho)x -0.1288881E-15 GRAD(Rho)y -0.1454879E-15 GRAD(Rho)z -0.1595059E-17 Laplacian 0.2218444E-01 (-1/4)Del**2(Rho)) -0.5546111E-02 Diamond 0.5723043E-03 Metallicity 0.5191280E+00 Ellipticity -0.3641276E+01 Gb(Abramov) 0.4177264E-02 Vb(Abramov) -0.2808418E-02 Hb(Abramov) 0.1368847E-02 Ex_ueg -0.7027804E-03 Ec_ueg -0.1649381E-03 Delta_ex -0.1116974E-02 Delta_ec 0.6926228E-03 Delta_et -0.3855592E-02 Pxc 0.4260873E+01 Qxc -0.1612672E+01 3,+1 100 3 +1 0.521994 0.545087 1.660843 Rho 0.9067910E-02 |GRAD(Rho)| 0.1366497E-12 GRAD(Rho)x -0.4923188E-13 GRAD(Rho)y -0.5028474E-13 GRAD(Rho)z -0.1171358E-12 Laplacian 0.3525695E-01 (-1/4)Del**2(Rho)) -0.8814237E-02 Diamond 0.1001436E-02 Metallicity 0.7706914E+00 Ellipticity -0.1457063E+01 Gb(Abramov) 0.7008334E-02 Vb(Abramov) -0.5202431E-02 Hb(Abramov) 0.1805903E-02 Ex_ueg -0.1396566E-02 Ec_ueg -0.3259640E-03 Delta_ex -0.1627118E-02 Delta_ec 0.4865582E-03 Delta_et -0.3378775E-02 Pxc 0.4284417E+01 Qxc -0.3344138E+01 3,+1 101 3 +1 -0.559758 -0.504114 1.669253 Rho 0.8752512E-02 |GRAD(Rho)| 0.8742146E-17 GRAD(Rho)x 0.3424342E-17 GRAD(Rho)y -0.6450697E-17 GRAD(Rho)z 0.4804947E-17 Laplacian 0.3401915E-01 (-1/4)Del**2(Rho)) -0.8504787E-02 Diamond 0.9414961E-03 Metallicity 0.7529698E+00 Ellipticity -0.1468234E+01 Gb(Abramov) 0.6737166E-02 Vb(Abramov) -0.4969545E-02 Hb(Abramov) 0.1767621E-02 Ex_ueg -0.1332177E-02 Ec_ueg -0.3118091E-03 Delta_ex -0.1565036E-02 Delta_ec 0.4857956E-03 Delta_et -0.3329695E-02 Pxc 0.4272413E+01 Qxc -0.3221593E+01 3,+1 102 3 +1 0.180877 0.197463 -2.893057 Rho 0.5351729E-02 |GRAD(Rho)| 0.1225008E-16 GRAD(Rho)x 0.1014938E-16 GRAD(Rho)y -0.6859365E-17 GRAD(Rho)z 0.6029649E-19 Laplacian 0.2227462E-01 (-1/4)Del**2(Rho)) -0.5568655E-02 Diamond 0.5281361E-03 Metallicity 0.5065548E+00 Ellipticity -0.2252036E+01 Gb(Abramov) 0.4182575E-02 Vb(Abramov) -0.2796495E-02 Hb(Abramov) 0.1386080E-02 Ex_ueg -0.6913701E-03 Ec_ueg -0.1620804E-03 Delta_ex -0.1087372E-02 Delta_ec 0.6392858E-03 Delta_et -0.3568331E-02 Pxc 0.4265599E+01 Qxc -0.1700917E+01 3,+1 103 3 -1 -0.847873 -2.979968 -2.004005 Rho 0.1372939E+00 |GRAD(Rho)| 0.4084278E-13 GRAD(Rho)x 0.8588467E-14 GRAD(Rho)y -0.2829803E-13 GRAD(Rho)z 0.2817077E-13 Laplacian 0.5397280E+00 (-1/4)Del**2(Rho)) -0.1349320E+00 Diamond 0.9889488E+00 Metallicity 0.4665056E+01 Ellipticity 0.3202909E-01 Gb(Abramov) 0.1948656E+00 Vb(Abramov) -0.2547991E+00 Hb(Abramov) -0.5993355E-01 Ex_ueg -0.5231023E-01 Ec_ueg -0.7635169E-02 Delta_ex -0.5678328E-01 Delta_ec 0.1410501E-01 Delta_et -0.1855690E+00 Pxc 0.6851221E+01 Qxc -0.4025751E+01 3,-1 104 3 +3 1.119377 -1.116048 -1.093350 Rho 0.5254942E-02 |GRAD(Rho)| 0.1348710E-13 GRAD(Rho)x 0.1030480E-13 GRAD(Rho)y -0.6356955E-14 GRAD(Rho)z -0.5941554E-14 Laplacian 0.2039203E-01 (-1/4)Del**2(Rho)) -0.5098008E-02 Diamond 0.1510855E-03 Metallicity 0.5367424E+00 Ellipticity -0.1174333E+00 Gb(Abramov) 0.3854725E-02 Vb(Abramov) -0.2611442E-02 Hb(Abramov) 0.1243283E-02 Ex_ueg -0.6747491E-03 Ec_ueg -0.1579004E-03 Delta_ex -0.7131568E-03 Delta_ec 0.8771305E-04 Delta_et -0.7063709E-03 Pxc 0.4273256E+01 Qxc -0.8130567E+01 3,+3 105 3 +1 -1.191936 2.179095 1.259809 Rho 0.2961748E-01 |GRAD(Rho)| 0.4020477E-16 GRAD(Rho)x 0.1928375E-18 GRAD(Rho)y 0.4016839E-16 GRAD(Rho)z -0.1698944E-17 Laplacian 0.1219773E+00 (-1/4)Del**2(Rho)) -0.3049433E-01 Diamond 0.2179559E-01 Metallicity 0.1601699E+01 Ellipticity -0.8405124E+01 Gb(Abramov) 0.2847001E-01 Vb(Abramov) -0.2644568E-01 Hb(Abramov) 0.2024322E-02 Ex_ueg -0.6767825E-02 Ec_ueg -0.1323893E-02 Delta_ex -0.8082271E-02 Delta_ec 0.2324609E-02 Delta_et -0.2134989E-01 Pxc 0.5112063E+01 Qxc -0.3476830E+01 3,+1 106 3 -1 -0.537227 1.720831 1.732556 Rho 0.4821014E-01 |GRAD(Rho)| 0.2536590E-15 GRAD(Rho)x -0.9286149E-16 GRAD(Rho)y -0.1469577E-15 GRAD(Rho)z -0.1847243E-15 Laplacian 0.1972443E+00 (-1/4)Del**2(Rho)) -0.4931107E-01 Diamond 0.9424533E-01 Metallicity 0.2231033E+01 Ellipticity 0.1153746E-01 Gb(Abramov) 0.5120982E-01 Vb(Abramov) -0.5310857E-01 Hb(Abramov) -0.1898748E-02 Ex_ueg -0.1295894E-01 Ec_ueg -0.2316178E-02 Delta_ex -0.1604640E-01 Delta_ec 0.5805275E-02 Delta_et -0.6061527E-01 Pxc 0.5594967E+01 Qxc -0.2764107E+01 3,-1 107 3 -1 -0.563363 1.804676 -2.792120 Rho 0.1346589E+00 |GRAD(Rho)| 0.6466909E-16 GRAD(Rho)x 0.1138412E-16 GRAD(Rho)y 0.3064226E-16 GRAD(Rho)z 0.5579914E-16 Laplacian 0.5670538E+00 (-1/4)Del**2(Rho)) -0.1417634E+00 Diamond 0.9938180E+00 Metallicity 0.4299132E+01 Ellipticity 0.1566469E-01 Gb(Abramov) 0.1960856E+00 Vb(Abramov) -0.2504077E+00 Hb(Abramov) -0.5432214E-01 Ex_ueg -0.5097593E-01 Ec_ueg -0.7468819E-02 Delta_ex -0.5913394E-01 Delta_ec 0.1445124E-01 Delta_et -0.1886934E+00 Pxc 0.6825166E+01 Qxc -0.4091964E+01 3,-1 108 3 -1 -0.862360 1.967720 3.005370 Rho 0.1499681E+00 |GRAD(Rho)| 0.1814749E-15 GRAD(Rho)x -0.1452560E-15 GRAD(Rho)y 0.9435269E-16 GRAD(Rho)z -0.5414235E-16 Laplacian 0.5899728E+00 (-1/4)Del**2(Rho)) -0.1474932E+00 Diamond 0.1199242E+01 Metallicity 0.4944387E+01 Ellipticity 0.4555573E-01 Gb(Abramov) 0.2198727E+00 Vb(Abramov) -0.2922522E+00 Hb(Abramov) -0.7237951E-01 Ex_ueg -0.5884597E-01 Ec_ueg -0.8441470E-02 Delta_ex -0.6339373E-01 Delta_ec 0.1504034E-01 Delta_et -0.2003735E+00 Pxc 0.6971058E+01 Qxc -0.4214913E+01 3,-1 109 3 -1 -0.858264 -1.971445 -2.995261 Rho 0.1414827E+00 |GRAD(Rho)| 0.1714770E-14 GRAD(Rho)x 0.1039736E-14 GRAD(Rho)y -0.1002535E-14 GRAD(Rho)z 0.9242891E-15 Laplacian 0.5583403E+00 (-1/4)Del**2(Rho)) -0.1395851E+00 Diamond 0.1058409E+01 Metallicity 0.4741181E+01 Ellipticity 0.3632037E-01 Gb(Abramov) 0.2033564E+00 Vb(Abramov) -0.2671277E+00 Hb(Abramov) -0.6377132E-01 Ex_ueg -0.5444896E-01 Ec_ueg -0.7900535E-02 Delta_ex -0.5914771E-01 Delta_ec 0.1444215E-01 Delta_et -0.1907900E+00 Pxc 0.6891807E+01 Qxc -0.4095492E+01 3,-1 110 3 -1 -0.524776 -1.712611 -1.737915 Rho 0.4822700E-01 |GRAD(Rho)| 0.2063340E-16 GRAD(Rho)x -0.1033168E-17 GRAD(Rho)y 0.8909940E-17 GRAD(Rho)z 0.1858179E-16 Laplacian 0.1970986E+00 (-1/4)Del**2(Rho)) -0.4927464E-01 Diamond 0.9428212E-01 Metallicity 0.2233984E+01 Ellipticity 0.1257377E-01 Gb(Abramov) 0.5119623E-01 Vb(Abramov) -0.5311781E-01 Hb(Abramov) -0.1921584E-02 Ex_ueg -0.1296499E-01 Ec_ueg -0.2317106E-02 Delta_ex -0.1603875E-01 Delta_ec 0.5805946E-02 Delta_et -0.6062911E-01 Pxc 0.5595336E+01 Qxc -0.2762469E+01 3,-1 111 3 -1 -0.572040 -1.785456 2.790763 Rho 0.1530953E+00 |GRAD(Rho)| 0.1489237E-11 GRAD(Rho)x -0.9861699E-12 GRAD(Rho)y 0.1074182E-11 GRAD(Rho)z 0.3023719E-12 Laplacian 0.6431253E+00 (-1/4)Del**2(Rho)) -0.1607813E+00 Diamond 0.1329785E+01 Metallicity 0.4694476E+01 Ellipticity 0.1552424E-01 Gb(Abramov) 0.2329849E+00 Vb(Abramov) -0.3051885E+00 Hb(Abramov) -0.7220358E-01 Ex_ueg -0.6048774E-01 Ec_ueg -0.8641949E-02 Delta_ex -0.6935675E-01 Delta_ec 0.1613305E-01 Delta_et -0.2151244E+00 Pxc 0.6999317E+01 Qxc -0.4299048E+01 3,-1 112 3 +1 1.063868 2.160890 -1.405481 Rho 0.2757737E-01 |GRAD(Rho)| 0.3300223E-14 GRAD(Rho)x -0.1882454E-14 GRAD(Rho)y 0.9354444E-15 GRAD(Rho)z -0.2544166E-14 Laplacian 0.1104580E+00 (-1/4)Del**2(Rho)) -0.2761450E-01 Diamond 0.1591710E-01 Metallicity 0.1570378E+01 Ellipticity -0.3177168E+01 Gb(Abramov) 0.2563719E-01 Vb(Abramov) -0.2365989E-01 Hb(Abramov) 0.1977301E-02 Ex_ueg -0.6153499E-02 Ec_ueg -0.1219336E-02 Delta_ex -0.6993836E-02 Delta_ec 0.1768950E-02 Delta_et -0.1600775E-01 Pxc 0.5046598E+01 Qxc -0.3953666E+01 3,+1 113 3 +3 0.005952 -2.322411 0.005196 Rho 0.4623599E-02 |GRAD(Rho)| 0.3673169E-17 GRAD(Rho)x 0.3348089E-17 GRAD(Rho)y -0.1101623E-17 GRAD(Rho)z 0.1033875E-17 Laplacian 0.1887665E-01 (-1/4)Del**2(Rho)) -0.4719163E-02 Diamond 0.1724304E-03 Metallicity 0.4684413E+00 Ellipticity -0.3200519E+00 Gb(Abramov) 0.3514550E-02 Vb(Abramov) -0.2309938E-02 Hb(Abramov) 0.1204612E-02 Ex_ueg -0.5688860E-03 Ec_ueg -0.1307509E-03 Delta_ex -0.6938517E-03 Delta_ec 0.1825254E-03 Delta_et -0.1136057E-02 Pxc 0.4350916E+01 Qxc -0.3801398E+01 3,+3 114 3 -1 0.843913 -2.975220 2.004547 Rho 0.1315743E+00 |GRAD(Rho)| 0.3341922E-15 GRAD(Rho)x -0.1072818E-15 GRAD(Rho)y 0.3743208E-16 GRAD(Rho)z 0.3142831E-15 Laplacian 0.5166341E+00 (-1/4)Del**2(Rho)) -0.1291585E+00 Diamond 0.8993001E+00 Metallicity 0.4539924E+01 Ellipticity 0.2680394E-01 Gb(Abramov) 0.1838340E+00 Vb(Abramov) -0.2385095E+00 Hb(Abramov) -0.5467548E-01 Ex_ueg -0.4942499E-01 Ec_ueg -0.7274657E-02 Delta_ex -0.5379545E-01 Delta_ec 0.1363686E-01 Delta_et -0.1781951E+00 Pxc 0.6794133E+01 Qxc -0.3944856E+01 3,-1 115 3 -1 -0.855487 2.978317 2.008207 Rho 0.1388519E+00 |GRAD(Rho)| 0.1629673E-13 GRAD(Rho)x 0.1154925E-13 GRAD(Rho)y -0.6050255E-14 GRAD(Rho)z 0.9777145E-14 Laplacian 0.5463139E+00 (-1/4)Del**2(Rho)) -0.1365785E+00 Diamond 0.1013787E+01 Metallicity 0.4696315E+01 Ellipticity 0.3202115E-01 Gb(Abramov) 0.1979549E+00 Vb(Abramov) -0.2593313E+00 Hb(Abramov) -0.6137643E-01 Ex_ueg -0.5310321E-01 Ec_ueg -0.7733739E-02 Delta_ex -0.5762393E-01 Delta_ec 0.1422066E-01 Delta_et -0.1873814E+00 Pxc 0.6866434E+01 Qxc -0.4052129E+01 3,-1 116 3 -1 -0.043026 -0.026923 -2.894623 Rho 0.5429696E-02 |GRAD(Rho)| 0.1248295E-15 GRAD(Rho)x 0.1271945E-16 GRAD(Rho)y -0.1236343E-15 GRAD(Rho)z -0.1162651E-16 Laplacian 0.2179975E-01 (-1/4)Del**2(Rho)) -0.5449937E-02 Diamond 0.6477367E-03 Metallicity 0.5302177E+00 Ellipticity 0.3366468E+01 Gb(Abramov) 0.4114900E-02 Vb(Abramov) -0.2779863E-02 Hb(Abramov) 0.1335037E-02 Ex_ueg -0.7048322E-03 Ec_ueg -0.1654510E-03 Delta_ex -0.1167705E-02 Delta_ec 0.8049306E-03 Delta_et -0.4433518E-02 Pxc 0.4260067E+01 Qxc -0.1450690E+01 3,-1 117 3 +3 0.015443 0.031746 -2.325235 Rho 0.4733223E-02 |GRAD(Rho)| 0.5840518E-15 GRAD(Rho)x -0.3550418E-16 GRAD(Rho)y -0.5804249E-15 GRAD(Rho)z 0.5443248E-16 Laplacian 0.1935647E-01 (-1/4)Del**2(Rho)) -0.4839117E-02 Diamond 0.1809897E-03 Metallicity 0.4750237E+00 Ellipticity -0.3227647E+00 Gb(Abramov) 0.3609194E-02 Vb(Abramov) -0.2379271E-02 Hb(Abramov) 0.1229923E-02 Ex_ueg -0.5869408E-03 Ec_ueg -0.1354504E-03 Delta_ex -0.7142049E-03 Delta_ec 0.1844233E-03 Delta_et -0.1158048E-02 Pxc 0.4333252E+01 Qxc -0.3872639E+01 3,+3 118 3 -1 -0.468220 0.481409 0.464364 Rho 0.1874054E+00 |GRAD(Rho)| 0.7276908E-13 GRAD(Rho)x 0.4325360E-13 GRAD(Rho)y -0.4240011E-13 GRAD(Rho)z -0.4033232E-13 Laplacian 0.5196774E+00 (-1/4)Del**2(Rho)) -0.1299193E+00 Diamond 0.1403086E+01 Metallicity 0.8137968E+01 Ellipticity 0.2970181E-02 Gb(Abramov) 0.2628261E+00 Vb(Abramov) -0.3957329E+00 Hb(Abramov) -0.1329068E+00 Ex_ueg -0.7920654E-01 Ec_ueg -0.1087963E-01 Delta_ex -0.5919580E-01 Delta_ec 0.1280987E-01 Delta_et -0.1762207E+00 Pxc 0.7280260E+01 Qxc -0.4621110E+01 3,-1 119 3 +3 -0.040557 0.028800 2.325630 Rho 0.4737630E-02 |GRAD(Rho)| 0.1340443E-15 GRAD(Rho)x 0.1332487E-15 GRAD(Rho)y -0.1366588E-16 GRAD(Rho)z -0.5088694E-17 Laplacian 0.1934091E-01 (-1/4)Del**2(Rho)) -0.4835228E-02 Diamond 0.1801426E-03 Metallicity 0.4761438E+00 Ellipticity -0.3433018E+00 Gb(Abramov) 0.3607196E-02 Vb(Abramov) -0.2379164E-02 Hb(Abramov) 0.1228032E-02 Ex_ueg -0.5876696E-03 Ec_ueg -0.1356395E-03 Delta_ex -0.7128721E-03 Delta_ec 0.1826180E-03 Delta_et -0.1149196E-02 Pxc 0.4332585E+01 Qxc -0.3903625E+01 3,+3 120 3 +1 1.351169 -2.165418 1.103706 Rho 0.2794955E-01 |GRAD(Rho)| 0.3345700E-13 GRAD(Rho)x 0.2422557E-13 GRAD(Rho)y -0.1774646E-13 GRAD(Rho)z -0.1474977E-13 Laplacian 0.1134414E+00 (-1/4)Del**2(Rho)) -0.2836036E-01 Diamond 0.1783169E-01 Metallicity 0.1563626E+01 Ellipticity -0.4518728E+01 Gb(Abramov) 0.2629774E-01 Vb(Abramov) -0.2423512E-01 Hb(Abramov) 0.2062620E-02 Ex_ueg -0.6264477E-02 Ec_ueg -0.1238336E-02 Delta_ex -0.7319300E-02 Delta_ec 0.2013848E-02 Delta_et -0.1825041E-01 Pxc 0.5058786E+01 Qxc -0.3634484E+01 3,+1 121 3 -1 0.068714 -3.174255 -3.219285 Rho 0.2526937E+00 |GRAD(Rho)| 0.9054484E-16 GRAD(Rho)x 0.5098461E-16 GRAD(Rho)y -0.7383417E-16 GRAD(Rho)z -0.1214306E-16 Laplacian 0.9202824E+00 (-1/4)Del**2(Rho)) -0.2300706E+00 Diamond 0.3448505E+01 Metallicity 0.7562802E+01 Ellipticity 0.1296148E-02 Gb(Abramov) 0.4433768E+00 Vb(Abramov) -0.6566830E+00 Hb(Abramov) -0.2133062E+00 Ex_ueg -0.1179898E+00 Ec_ueg -0.1532100E-01 Delta_ex -0.1126275E+00 Delta_ec 0.1988788E-01 Delta_et -0.2752533E+00 Pxc 0.7701177E+01 Qxc -0.5663119E+01 3,-1 122 3 -1 -0.012004 -2.896495 -0.014055 Rho 0.5308107E-02 |GRAD(Rho)| 0.6053965E-15 GRAD(Rho)x 0.6004111E-15 GRAD(Rho)y -0.7339133E-16 GRAD(Rho)z 0.2500289E-16 Laplacian 0.2131293E-01 (-1/4)Del**2(Rho)) -0.5328231E-02 Diamond 0.6247986E-03 Metallicity 0.5222393E+00 Ellipticity 0.2886097E+01 Gb(Abramov) 0.4015923E-02 Vb(Abramov) -0.2703614E-02 Hb(Abramov) 0.1312308E-02 Ex_ueg -0.6838665E-03 Ec_ueg -0.1601959E-03 Delta_ex -0.1145890E-02 Delta_ec 0.8030367E-03 Delta_et -0.4387184E-02 Pxc 0.4268938E+01 Qxc -0.1426946E+01 3,-1 123 3 -1 -0.065942 -3.168139 3.228809 Rho 0.2522740E+00 |GRAD(Rho)| 0.1071252E-14 GRAD(Rho)x 0.2109315E-15 GRAD(Rho)y 0.9111635E-15 GRAD(Rho)z -0.5223686E-15 Laplacian 0.9198375E+00 (-1/4)Del**2(Rho)) -0.2299594E+00 Diamond 0.3439654E+01 Metallicity 0.7545527E+01 Ellipticity 0.2005243E-02 Gb(Abramov) 0.4425003E+00 Vb(Abramov) -0.6550413E+00 Hb(Abramov) -0.2125410E+00 Ex_ueg -0.1177285E+00 Ec_ueg -0.1529170E-01 Delta_ex -0.1125224E+00 Delta_ec 0.1988577E-01 Delta_et -0.2752041E+00 Pxc 0.7698850E+01 Qxc -0.5658437E+01 3,-1 124 3 +1 0.172895 -2.894448 0.168111 Rho 0.5261757E-02 |GRAD(Rho)| 0.1540261E-16 GRAD(Rho)x 0.1372053E-16 GRAD(Rho)y -0.2301437E-17 GRAD(Rho)z 0.6609902E-17 Laplacian 0.2176648E-01 (-1/4)Del**2(Rho)) -0.5441619E-02 Diamond 0.5200281E-03 Metallicity 0.5039371E+00 Ellipticity -0.2533949E+01 Gb(Abramov) 0.4084785E-02 Vb(Abramov) -0.2727951E-02 Hb(Abramov) 0.1356834E-02 Ex_ueg -0.6759161E-03 Ec_ueg -0.1581946E-03 Delta_ex -0.1072470E-02 Delta_ec 0.6488355E-03 Delta_et -0.3592805E-02 Pxc 0.4272687E+01 Qxc -0.1652915E+01 3,+1 125 3 -1 -0.559860 -2.760972 1.822278 Rho 0.1362483E+00 |GRAD(Rho)| 0.4648099E-15 GRAD(Rho)x 0.1009392E-15 GRAD(Rho)y -0.1057165E-15 GRAD(Rho)z 0.4412296E-15 Laplacian 0.5709510E+00 (-1/4)Del**2(Rho)) -0.1427378E+00 Diamond 0.1033397E+01 Metallicity 0.4354110E+01 Ellipticity 0.1033492E-01 Gb(Abramov) 0.1987411E+00 Vb(Abramov) -0.2547445E+00 Hb(Abramov) -0.5600339E-01 Ex_ueg -0.5177973E-01 Ec_ueg -0.7569105E-02 Delta_ex -0.5992076E-01 Delta_ec 0.1488387E-01 Delta_et -0.1954539E+00 Pxc 0.6840931E+01 Qxc -0.4025886E+01 3,-1 126 3 +1 0.551368 -1.660226 -0.519448 Rho 0.8753329E-02 |GRAD(Rho)| 0.1450524E-12 GRAD(Rho)x -0.8186456E-13 GRAD(Rho)y -0.8783464E-13 GRAD(Rho)z 0.8138472E-13 Laplacian 0.3386405E-01 (-1/4)Del**2(Rho)) -0.8466012E-02 Diamond 0.9373677E-03 Metallicity 0.7565361E+00 Ellipticity -0.1473994E+01 Gb(Abramov) 0.6711482E-02 Vb(Abramov) -0.4956952E-02 Hb(Abramov) 0.1754530E-02 Ex_ueg -0.1332343E-02 Ec_ueg -0.3118457E-03 Delta_ex -0.1557957E-02 Delta_ec 0.4836159E-03 Delta_et -0.3314807E-02 Pxc 0.4272443E+01 Qxc -0.3221476E+01 3,+1 127 3 +3 0.022256 2.323506 -0.035745 Rho 0.4768777E-02 |GRAD(Rho)| 0.1458287E-14 GRAD(Rho)x 0.5989621E-15 GRAD(Rho)y -0.1180397E-14 GRAD(Rho)z -0.6119709E-15 Laplacian 0.1946377E-01 (-1/4)Del**2(Rho)) -0.4865942E-02 Diamond 0.1819437E-03 Metallicity 0.4783340E+00 Ellipticity -0.3290310E+00 Gb(Abramov) 0.3631885E-02 Vb(Abramov) -0.2397829E-02 Hb(Abramov) 0.1234056E-02 Ex_ueg -0.5928266E-03 Ec_ueg -0.1369759E-03 Delta_ex -0.7176496E-03 Delta_ec 0.1820767E-03 Delta_et -0.1149904E-02 Pxc 0.4327962E+01 Qxc -0.3941469E+01 3,+3 128 3 +1 1.662650 0.524078 0.539347 Rho 0.9117282E-02 |GRAD(Rho)| 0.1032738E-12 GRAD(Rho)x -0.5841096E-13 GRAD(Rho)y 0.2300684E-13 GRAD(Rho)z -0.8200203E-13 Laplacian 0.3551698E-01 (-1/4)Del**2(Rho)) -0.8879245E-02 Diamond 0.1015523E-02 Metallicity 0.7720038E+00 Ellipticity -0.1456277E+01 Gb(Abramov) 0.7061965E-02 Vb(Abramov) -0.5244685E-02 Hb(Abramov) 0.1817280E-02 Ex_ueg -0.1406713E-02 Ec_ueg -0.3281837E-03 Delta_ex -0.1641058E-02 Delta_ec 0.4895511E-03 Delta_et -0.3404749E-02 Pxc 0.4286359E+01 Qxc -0.3352170E+01 3,+1 129 3 -1 -0.549379 2.772880 -1.836595 Rho 0.1207189E+00 |GRAD(Rho)| 0.3801717E-13 GRAD(Rho)x 0.2364855E-13 GRAD(Rho)y -0.4803680E-14 GRAD(Rho)z -0.2937645E-13 Laplacian 0.5051094E+00 (-1/4)Del**2(Rho)) -0.1262773E+00 Diamond 0.7799155E+00 Metallicity 0.4022721E+01 Ellipticity 0.4406740E-02 Gb(Abramov) 0.1688480E+00 Vb(Abramov) -0.2114186E+00 Hb(Abramov) -0.4257065E-01 Ex_ueg -0.4406416E-01 Ec_ueg -0.6596396E-02 Delta_ex -0.5134973E-01 Delta_ec 0.1330036E-01 Delta_et -0.1707898E+00 Pxc 0.6680036E+01 Qxc -0.3860779E+01 3,-1 130 3 +1 0.183909 2.896799 -0.193890 Rho 0.5400755E-02 |GRAD(Rho)| 0.1412398E-16 GRAD(Rho)x 0.1292137E-16 GRAD(Rho)y -0.1487898E-17 GRAD(Rho)z 0.5505571E-17 Laplacian 0.2240077E-01 (-1/4)Del**2(Rho)) -0.5600192E-02 Diamond 0.5323355E-03 Metallicity 0.5114161E+00 Ellipticity -0.2219073E+01 Gb(Abramov) 0.4210800E-02 Vb(Abramov) -0.2821407E-02 Hb(Abramov) 0.1389393E-02 Ex_ueg -0.6998276E-03 Ec_ueg -0.1641995E-03 Delta_ex -0.1091057E-02 Delta_ec 0.6349031E-03 Delta_et -0.3556992E-02 Pxc 0.4262057E+01 Qxc -0.1718462E+01 3,+1 131 3 -1 0.547814 1.723115 -1.753689 Rho 0.4137159E-01 |GRAD(Rho)| 0.7627343E-16 GRAD(Rho)x -0.2810815E-16 GRAD(Rho)y 0.4243254E-16 GRAD(Rho)z -0.5680711E-16 Laplacian 0.1748926E+00 (-1/4)Del**2(Rho)) -0.4372316E-01 Diamond 0.6983657E-01 Metallicity 0.1949898E+01 Ellipticity 0.9581515E-02 Gb(Abramov) 0.4335806E-01 Vb(Abramov) -0.4299296E-01 Hb(Abramov) 0.3651005E-03 Ex_ueg -0.1056788E-01 Ec_ueg -0.1943795E-02 Delta_ex -0.1380243E-01 Delta_ec 0.5347719E-02 Delta_et -0.5364918E-01 Pxc 0.5436728E+01 Qxc -0.2580994E+01 3,-1 132 3 -1 -0.057861 3.177205 -3.237510 Rho 0.2426115E+00 |GRAD(Rho)| 0.1531128E-15 GRAD(Rho)x 0.5483352E-16 GRAD(Rho)y -0.1387779E-15 GRAD(Rho)z -0.3431500E-16 Laplacian 0.8619433E+00 (-1/4)Del**2(Rho)) -0.2154858E+00 Diamond 0.3106778E+01 Metallicity 0.7544898E+01 Ellipticity 0.5622006E-03 Gb(Abramov) 0.4146270E+00 Vb(Abramov) -0.6137681E+00 Hb(Abramov) -0.1991412E+00 Ex_ueg -0.1117550E+00 Ec_ueg -0.1461982E-01 Delta_ex -0.1045316E+00 Delta_ec 0.1915188E-01 Delta_et -0.2661504E+00 Pxc 0.7644071E+01 Qxc -0.5458032E+01 3,-1 133 3 -1 -0.043770 2.895301 0.039800 Rho 0.5485891E-02 |GRAD(Rho)| 0.1213559E-16 GRAD(Rho)x -0.8572610E-17 GRAD(Rho)y -0.2050111E-17 GRAD(Rho)z 0.8341466E-17 Laplacian 0.2197610E-01 (-1/4)Del**2(Rho)) -0.5494024E-02 Diamond 0.6580791E-03 Metallicity 0.5350666E+00 Ellipticity 0.3429306E+01 Gb(Abramov) 0.4152628E-02 Vb(Abramov) -0.2811231E-02 Hb(Abramov) 0.1341397E-02 Ex_ueg -0.7145752E-03 Ec_ueg -0.1678822E-03 Delta_ex -0.1176111E-02 Delta_ec 0.8055911E-03 Delta_et -0.4453079E-02 Pxc 0.4256408E+01 Qxc -0.1459935E+01 3,-1 134 3 -1 0.057722 3.169708 3.226993 Rho 0.2527319E+00 |GRAD(Rho)| 0.7412060E-15 GRAD(Rho)x -0.1694608E-15 GRAD(Rho)y -0.5208507E-15 GRAD(Rho)z -0.4993835E-15 Laplacian 0.9204729E+00 (-1/4)Del**2(Rho)) -0.2301182E+00 Diamond 0.3449357E+01 Metallicity 0.7563142E+01 Ellipticity 0.1439567E-02 Gb(Abramov) 0.4434816E+00 Vb(Abramov) -0.6568450E+00 Hb(Abramov) -0.2133634E+00 Ex_ueg -0.1180135E+00 Ec_ueg -0.1532367E-01 Delta_ex -0.1126528E+00 Delta_ec 0.1988674E-01 Delta_et -0.2752175E+00 Pxc 0.7701389E+01 Qxc -0.5664721E+01 3,-1 135 3 +1 0.540149 -0.522153 -1.663436 Rho 0.9060591E-02 |GRAD(Rho)| 0.8373120E-14 GRAD(Rho)x 0.4720295E-14 GRAD(Rho)y -0.1548699E-14 GRAD(Rho)z -0.6740141E-14 Laplacian 0.3538797E-01 (-1/4)Del**2(Rho)) -0.8846991E-02 Diamond 0.1003359E-02 Metallicity 0.7668053E+00 Ellipticity -0.1450903E+01 Gb(Abramov) 0.7028648E-02 Vb(Abramov) -0.5210304E-02 Hb(Abramov) 0.1818344E-02 Ex_ueg -0.1395063E-02 Ec_ueg -0.3256350E-03 Delta_ex -0.1632537E-02 Delta_ec 0.4878475E-03 Delta_et -0.3387453E-02 Pxc 0.4284130E+01 Qxc -0.3346409E+01 3,+1 136 3 +3 1.110668 1.106174 1.111410 Rho 0.5393411E-02 |GRAD(Rho)| 0.5158982E-17 GRAD(Rho)x 0.2307434E-17 GRAD(Rho)y -0.4581562E-17 GRAD(Rho)z -0.5478516E-18 Laplacian 0.2102140E-01 (-1/4)Del**2(Rho)) -0.5255350E-02 Diamond 0.1593208E-03 Metallicity 0.5437393E+00 Ellipticity -0.3617750E-01 Gb(Abramov) 0.3979823E-02 Vb(Abramov) -0.2704297E-02 Hb(Abramov) 0.1275527E-02 Ex_ueg -0.6985589E-03 Ec_ueg -0.1638820E-03 Delta_ex -0.7387755E-03 Delta_ec 0.8729430E-04 Delta_et -0.7152012E-03 Pxc 0.4262574E+01 Qxc -0.8463044E+01 3,+3 137 3 +1 0.136691 -0.141368 2.885702 Rho 0.5444233E-02 |GRAD(Rho)| 0.1252470E-15 GRAD(Rho)x 0.6920749E-17 GRAD(Rho)y 0.1242757E-15 GRAD(Rho)z 0.1394564E-16 Laplacian 0.2220211E-01 (-1/4)Del**2(Rho)) -0.5550527E-02 Diamond 0.5888878E-03 Metallicity 0.5229339E+00 Ellipticity -0.4888980E+01 Gb(Abramov) 0.4184111E-02 Vb(Abramov) -0.2817695E-02 Hb(Abramov) 0.1366416E-02 Ex_ueg -0.7073493E-03 Ec_ueg -0.1660797E-03 Delta_ex -0.1129183E-02 Delta_ec 0.7114836E-03 Delta_et -0.3958964E-02 Pxc 0.4259094E+01 Qxc -0.1587082E+01 3,+1 138 3 -1 0.467705 -0.466164 0.479954 Rho 0.1873507E+00 |GRAD(Rho)| 0.2815387E-15 GRAD(Rho)x 0.7979728E-16 GRAD(Rho)y 0.2428613E-15 GRAD(Rho)z -0.1179612E-15 Laplacian 0.5194768E+00 (-1/4)Del**2(Rho)) -0.1298692E+00 Diamond 0.1402147E+01 Metallicity 0.8137158E+01 Ellipticity 0.3022471E-02 Gb(Abramov) 0.2627072E+00 Vb(Abramov) -0.3955451E+00 Hb(Abramov) -0.1328380E+00 Ex_ueg -0.7917577E-01 Ec_ueg -0.1087602E-01 Delta_ex -0.5916930E-01 Delta_ec 0.1280713E-01 Delta_et -0.1761814E+00 Pxc 0.7279851E+01 Qxc -0.4620027E+01 3,-1 139 3 -1 0.563089 1.783085 2.785602 Rho 0.1425353E+00 |GRAD(Rho)| 0.3946105E-15 GRAD(Rho)x 0.7674796E-16 GRAD(Rho)y -0.3870060E-15 GRAD(Rho)z 0.7318365E-17 Laplacian 0.6012308E+00 (-1/4)Del**2(Rho)) -0.1503077E+00 Diamond 0.1145260E+01 Metallicity 0.4457683E+01 Ellipticity 0.9512027E-02 Gb(Abramov) 0.2118758E+00 Vb(Abramov) -0.2734439E+00 Hb(Abramov) -0.6156811E-01 Ex_ueg -0.5498972E-01 Ec_ueg -0.7967389E-02 Delta_ex -0.6375695E-01 Delta_ec 0.1543502E-01 Delta_et -0.2039441E+00 Pxc 0.6901849E+01 Qxc -0.4130669E+01 3,-1 140 3 +1 1.741960 1.733680 1.738508 Rho 0.1238192E-01 |GRAD(Rho)| 0.1013182E-13 GRAD(Rho)x 0.5958115E-14 GRAD(Rho)y 0.2369602E-14 GRAD(Rho)z -0.7844724E-14 Laplacian 0.6257324E-01 (-1/4)Del**2(Rho)) -0.1564331E-01 Diamond 0.2598124E-02 Metallicity 0.7298013E+00 Ellipticity -0.1241761E+01 Gb(Abramov) 0.1233163E-01 Vb(Abramov) -0.9019940E-02 Hb(Abramov) 0.3311686E-02 Ex_ueg -0.2115611E-02 Ec_ueg -0.4772285E-03 Delta_ex -0.3095956E-02 Delta_ec 0.8026476E-03 Delta_et -0.6071963E-02 Pxc 0.4433120E+01 Qxc -0.3857180E+01 3,+1 141 3 -1 0.860921 1.984331 -3.010489 Rho 0.1395407E+00 |GRAD(Rho)| 0.1169731E-15 GRAD(Rho)x 0.1132043E-15 GRAD(Rho)y 0.9283481E-17 GRAD(Rho)z 0.2795209E-16 Laplacian 0.5473302E+00 (-1/4)Del**2(Rho)) -0.1368326E+00 Diamond 0.1007554E+01 Metallicity 0.4726416E+01 Ellipticity 0.5730828E-01 Gb(Abramov) 0.1990096E+00 Vb(Abramov) -0.2611867E+00 Hb(Abramov) -0.6217707E-01 Ex_ueg -0.5345475E-01 Ec_ueg -0.7777368E-02 Delta_ex -0.5764511E-01 Delta_ec 0.1395241E-01 Delta_et -0.1834142E+00 Pxc 0.6873115E+01 Qxc -0.4131552E+01 3,-1 142 3 -1 0.567742 -1.782679 -2.784253 Rho 0.1446632E+00 |GRAD(Rho)| 0.6055886E-13 GRAD(Rho)x -0.3917831E-13 GRAD(Rho)y -0.4580976E-13 GRAD(Rho)z 0.5822416E-14 Laplacian 0.6099842E+00 (-1/4)Del**2(Rho)) -0.1524961E+00 Diamond 0.1182123E+01 Metallicity 0.4503580E+01 Ellipticity 0.9021355E-02 Gb(Abramov) 0.2161271E+00 Vb(Abramov) -0.2797581E+00 Hb(Abramov) -0.6363102E-01 Ex_ueg -0.5608703E-01 Ec_ueg -0.8102761E-02 Delta_ex -0.6491281E-01 Delta_ec 0.1559020E-01 Delta_et -0.2064138E+00 Pxc 0.6921965E+01 Qxc -0.4163693E+01 3,-1 143 3 +1 1.744094 -1.741908 -1.742473 Rho 0.1223577E-01 |GRAD(Rho)| 0.1542215E-14 GRAD(Rho)x 0.5901629E-15 GRAD(Rho)y -0.5885908E-15 GRAD(Rho)z 0.1297573E-14 Laplacian 0.6178766E-01 (-1/4)Del**2(Rho)) -0.1544691E-01 Diamond 0.2538745E-02 Metallicity 0.7245982E+00 Ellipticity -0.1250791E+01 Gb(Abramov) 0.1216341E-01 Vb(Abramov) -0.8879907E-02 Hb(Abramov) 0.3283504E-02 Ex_ueg -0.2082382E-02 Ec_ueg -0.4704641E-03 Delta_ex -0.3051632E-02 Delta_ec 0.7999611E-03 Delta_et -0.6028515E-02 Pxc 0.4426229E+01 Qxc -0.3814725E+01 3,+1 144 3 -1 0.524699 -1.707178 1.749303 Rho 0.4875940E-01 |GRAD(Rho)| 0.8180880E-13 GRAD(Rho)x -0.2774180E-13 GRAD(Rho)y -0.5345039E-13 GRAD(Rho)z 0.5537262E-13 Laplacian 0.1997548E+00 (-1/4)Del**2(Rho)) -0.4993869E-01 Diamond 0.9709968E-01 Metallicity 0.2244984E+01 Ellipticity 0.1259825E-01 Gb(Abramov) 0.5197772E-01 Vb(Abramov) -0.5401675E-01 Hb(Abramov) -0.2039028E-02 Ex_ueg -0.1315617E-01 Ec_ueg -0.2346414E-02 Delta_ex -0.1630479E-01 Delta_ec 0.5892448E-02 Delta_et -0.6171165E-01 Pxc 0.5606927E+01 Qxc -0.2767066E+01 3,-1 145 3 -1 0.865269 -1.972511 3.002809 Rho 0.1454395E+00 |GRAD(Rho)| 0.1612202E-14 GRAD(Rho)x -0.1275754E-14 GRAD(Rho)y -0.8915530E-15 GRAD(Rho)z -0.4204536E-15 Laplacian 0.5731678E+00 (-1/4)Del**2(Rho)) -0.1432920E+00 Diamond 0.1122750E+01 Metallicity 0.4835804E+01 Ellipticity 0.4120671E-01 Gb(Abramov) 0.2110166E+00 Vb(Abramov) -0.2787412E+00 Hb(Abramov) -0.6772464E-01 Ex_ueg -0.5648870E-01 Ec_ueg -0.8152218E-02 Delta_ex -0.6112483E-01 Delta_ec 0.1471913E-01 Delta_et -0.1952285E+00 Pxc 0.6929242E+01 Qxc -0.4152748E+01 3,-1 146 3 +1 1.273397 -1.181655 2.177926 Rho 0.2967543E-01 |GRAD(Rho)| 0.7916447E-16 GRAD(Rho)x -0.1476485E-16 GRAD(Rho)y 0.1646852E-16 GRAD(Rho)z -0.7601184E-16 Laplacian 0.1222742E+00 (-1/4)Del**2(Rho)) -0.3056855E-01 Diamond 0.2189066E-01 Metallicity 0.1603024E+01 Ellipticity -0.8331386E+01 Gb(Abramov) 0.2854606E-01 Vb(Abramov) -0.2652356E-01 Hb(Abramov) 0.2022498E-02 Ex_ueg -0.6785488E-02 Ec_ueg -0.1326878E-02 Delta_ex -0.8104694E-02 Delta_ec 0.2327678E-02 Delta_et -0.2138865E-01 Pxc 0.5113876E+01 Qxc -0.3481880E+01 3,+1 147 3 +3 2.323763 -0.037773 0.022029 Rho 0.4770178E-02 |GRAD(Rho)| 0.1174634E-11 GRAD(Rho)x 0.1578046E-12 GRAD(Rho)y 0.1718614E-12 GRAD(Rho)z 0.1151229E-11 Laplacian 0.1947354E-01 (-1/4)Del**2(Rho)) -0.4868384E-02 Diamond 0.1821829E-03 Metallicity 0.4783282E+00 Ellipticity -0.3333078E+00 Gb(Abramov) 0.3633704E-02 Vb(Abramov) -0.2399023E-02 Hb(Abramov) 0.1234681E-02 Ex_ueg -0.5930589E-03 Ec_ueg -0.1370361E-03 Delta_ex -0.7181383E-03 Delta_ec 0.1823009E-03 Delta_et -0.1151220E-02 Pxc 0.4327758E+01 Qxc -0.3939301E+01 3,+3 148 3 -1 0.483496 0.469784 -0.468623 Rho 0.1871763E+00 |GRAD(Rho)| 0.2892154E-15 GRAD(Rho)x 0.6245005E-16 GRAD(Rho)y 0.1908196E-15 GRAD(Rho)z 0.2081668E-15 Laplacian 0.5192455E+00 (-1/4)Del**2(Rho)) -0.1298114E+00 Diamond 0.1399441E+01 Metallicity 0.8128155E+01 Ellipticity 0.3245220E-02 Gb(Abramov) 0.2623954E+00 Vb(Abramov) -0.3949794E+00 Hb(Abramov) -0.1325840E+00 Ex_ueg -0.7907750E-01 Ec_ueg -0.1086447E-01 Delta_ex -0.5912528E-01 Delta_ec 0.1279777E-01 Delta_et -0.1760143E+00 Pxc 0.7278543E+01 Qxc -0.4619969E+01 3,-1 149 3 +1 1.103727 1.358417 -2.167407 Rho 0.2789954E-01 |GRAD(Rho)| 0.8873056E-14 GRAD(Rho)x -0.4775721E-15 GRAD(Rho)y -0.8273577E-14 GRAD(Rho)z -0.3170328E-14 Laplacian 0.1130087E+00 (-1/4)Del**2(Rho)) -0.2825218E-01 Diamond 0.1760092E-01 Metallicity 0.1564935E+01 Ellipticity -0.4337640E+01 Gb(Abramov) 0.2620359E-01 Vb(Abramov) -0.2415500E-01 Hb(Abramov) 0.2048591E-02 Ex_ueg -0.6249536E-02 Ec_ueg -0.1235781E-02 Delta_ex -0.7276728E-02 Delta_ec 0.1986229E-02 Delta_et -0.1799510E-01 Pxc 0.5057155E+01 Qxc -0.3663589E+01 3,+1 150 3 -1 1.732061 -0.528792 1.722551 Rho 0.4828527E-01 |GRAD(Rho)| 0.4128723E-16 GRAD(Rho)x 0.1070184E-16 GRAD(Rho)y -0.3325705E-16 GRAD(Rho)z 0.2200168E-16 Laplacian 0.1972807E+00 (-1/4)Del**2(Rho)) -0.4932017E-01 Diamond 0.9449689E-01 Metallicity 0.2236418E+01 Ellipticity 0.1099115E-01 Gb(Abramov) 0.5126353E-01 Vb(Abramov) -0.5320690E-01 Hb(Abramov) -0.1943364E-02 Ex_ueg -0.1298588E-01 Ec_ueg -0.2320311E-02 Delta_ex -0.1605721E-01 Delta_ec 0.5809049E-02 Delta_et -0.6068011E-01 Pxc 0.5596609E+01 Qxc -0.2764171E+01 3,-1 151 3 -1 1.722695 1.734877 -0.533449 Rho 0.4909582E-01 |GRAD(Rho)| 0.6022355E-16 GRAD(Rho)x -0.1942458E-16 GRAD(Rho)y -0.1282662E-16 GRAD(Rho)z -0.5554313E-16 Laplacian 0.2013379E+00 (-1/4)Del**2(Rho)) -0.5033446E-01 Diamond 0.9875873E-01 Metallicity 0.2253004E+01 Ellipticity 0.1115843E-01 Gb(Abramov) 0.5245693E-01 Vb(Abramov) -0.5457940E-01 Hb(Abramov) -0.2122467E-02 Ex_ueg -0.1327734E-01 Ec_ueg -0.2364955E-02 Delta_ex -0.1646119E-01 Delta_ec 0.5936495E-02 Delta_et -0.6228410E-01 Pxc 0.5614203E+01 Qxc -0.2772880E+01 3,-1 152 3 -1 2.788330 -0.571444 -1.788750 Rho 0.1511386E+00 |GRAD(Rho)| 0.7148511E-14 GRAD(Rho)x -0.8411240E-15 GRAD(Rho)y 0.4643936E-14 GRAD(Rho)z -0.5369132E-14 Laplacian 0.6348941E+00 (-1/4)Del**2(Rho)) -0.1587235E+00 Diamond 0.1293520E+01 Metallicity 0.4654475E+01 Ellipticity 0.1375623E-01 Gb(Abramov) 0.2289448E+00 Vb(Abramov) -0.2991661E+00 Hb(Abramov) -0.7022128E-01 Ex_ueg -0.5945917E-01 Ec_ueg -0.8516439E-02 Delta_ex -0.6826092E-01 Delta_ec 0.1599340E-01 Delta_et -0.2129284E+00 Pxc 0.6981693E+01 Qxc -0.4268068E+01 3,-1 153 3 -1 2.985291 -2.014936 0.849213 Rho 0.1305483E+00 |GRAD(Rho)| 0.5750898E-13 GRAD(Rho)x -0.6756985E-14 GRAD(Rho)y 0.8297250E-14 GRAD(Rho)z -0.5650470E-13 Laplacian 0.5104696E+00 (-1/4)Del**2(Rho)) -0.1276174E+00 Diamond 0.8688643E+00 Metallicity 0.4535187E+01 Ellipticity 0.4455502E-01 Gb(Abramov) 0.1815397E+00 Vb(Abramov) -0.2354620E+00 Hb(Abramov) -0.5392232E-01 Ex_ueg -0.4891175E-01 Ec_ueg -0.7210210E-02 Delta_ex -0.5291690E-01 Delta_ec 0.1325563E-01 Delta_et -0.1725394E+00 Pxc 0.6783680E+01 Qxc -0.3992031E+01 3,-1 154 3 -1 1.981831 -3.007121 0.859215 Rho 0.1401260E+00 |GRAD(Rho)| 0.2276691E-13 GRAD(Rho)x 0.3517735E-14 GRAD(Rho)y -0.1830641E-14 GRAD(Rho)z 0.2241889E-13 Laplacian 0.5494293E+00 (-1/4)Del**2(Rho)) -0.1373573E+00 Diamond 0.1016615E+01 Metallicity 0.4741320E+01 Ellipticity 0.5721462E-01 Gb(Abramov) 0.2001141E+00 Vb(Abramov) -0.2628708E+00 Hb(Abramov) -0.6275674E-01 Ex_ueg -0.5375391E-01 Ec_ueg -0.7814464E-02 Delta_ex -0.5792644E-01 Delta_ec 0.1399348E-01 Delta_et -0.1840720E+00 Pxc 0.6878771E+01 Qxc -0.4139530E+01 3,-1 155 3 -1 2.007704 0.849287 -2.978226 Rho 0.1327602E+00 |GRAD(Rho)| 0.1527792E-15 GRAD(Rho)x -0.7962110E-16 GRAD(Rho)y 0.2847386E-16 GRAD(Rho)z -0.1272447E-15 Laplacian 0.5213472E+00 (-1/4)Del**2(Rho)) -0.1303368E+00 Diamond 0.9178073E+00 Metallicity 0.4566666E+01 Ellipticity 0.2695870E-01 Gb(Abramov) 0.1860920E+00 Vb(Abramov) -0.2418471E+00 Hb(Abramov) -0.5575516E-01 Ex_ueg -0.5001983E-01 Ec_ueg -0.7349229E-02 Delta_ex -0.5440931E-01 Delta_ec 0.1374155E-01 Delta_et -0.1798420E+00 Pxc 0.6806133E+01 Qxc -0.3959474E+01 3,-1 156 3 +1 2.181433 1.261698 -1.194261 Rho 0.2984591E-01 |GRAD(Rho)| 0.4728235E-15 GRAD(Rho)x 0.3816684E-15 GRAD(Rho)y -0.6649088E-16 GRAD(Rho)z -0.2710540E-15 Laplacian 0.1232604E+00 (-1/4)Del**2(Rho)) -0.3081509E-01 Diamond 0.2230358E-01 Metallicity 0.1605454E+01 Ellipticity -0.8750360E+01 Gb(Abramov) 0.2878876E-01 Vb(Abramov) -0.2676243E-01 Hb(Abramov) 0.2026330E-02 Ex_ueg -0.6837513E-02 Ec_ueg -0.1335662E-02 Delta_ex -0.8187791E-02 Delta_ec 0.2355923E-02 Delta_et -0.2167811E-01 Pxc 0.5119195E+01 Qxc -0.3475406E+01 3,+1 157 3 +1 2.886942 0.148040 -0.157512 Rho 0.5477882E-02 |GRAD(Rho)| 0.3721035E-14 GRAD(Rho)x 0.4243756E-16 GRAD(Rho)y 0.2518075E-14 GRAD(Rho)z -0.2739270E-14 Laplacian 0.2240373E-01 (-1/4)Del**2(Rho)) -0.5600932E-02 Diamond 0.5823193E-03 Metallicity 0.5235771E+00 Ellipticity -0.3607139E+01 Gb(Abramov) 0.4222708E-02 Vb(Abramov) -0.2844484E-02 Hb(Abramov) 0.1378224E-02 Ex_ueg -0.7131846E-03 Ec_ueg -0.1675356E-03 Delta_ex -0.1126940E-02 Delta_ec 0.6931944E-03 Delta_et -0.3874064E-02 Pxc 0.4256913E+01 Qxc -0.1625720E+01 3,+1 158 3 -1 1.749611 0.527810 -1.710299 Rho 0.4887124E-01 |GRAD(Rho)| 0.2336006E-15 GRAD(Rho)x 0.1605127E-18 GRAD(Rho)y 0.1150404E-15 GRAD(Rho)z -0.2033099E-15 Laplacian 0.2002107E+00 (-1/4)Del**2(Rho)) -0.5005268E-01 Diamond 0.9758552E-01 Metallicity 0.2248441E+01 Ellipticity 0.1261094E-01 Gb(Abramov) 0.5212520E-01 Vb(Abramov) -0.5419772E-01 Hb(Abramov) -0.2072520E-02 Ex_ueg -0.1319642E-01 Ec_ueg -0.2352576E-02 Delta_ex -0.1634969E-01 Delta_ec 0.5902667E-02 Delta_et -0.6185487E-01 Pxc 0.5609350E+01 Qxc -0.2769881E+01 3,-1 159 3 -1 1.723331 -1.749515 0.549381 Rho 0.4147737E-01 |GRAD(Rho)| 0.5863938E-16 GRAD(Rho)x 0.3636355E-16 GRAD(Rho)y -0.2554461E-16 GRAD(Rho)z -0.3825889E-16 Laplacian 0.1755557E+00 (-1/4)Del**2(Rho)) -0.4388891E-01 Diamond 0.7036428E-01 Metallicity 0.1950819E+01 Ellipticity 0.1050932E-01 Gb(Abramov) 0.4352916E-01 Vb(Abramov) -0.4316941E-01 Hb(Abramov) 0.3597503E-03 Ex_ueg -0.1060392E-01 Ec_ueg -0.1949495E-02 Delta_ex -0.1386456E-01 Delta_ec 0.5369804E-02 Delta_et -0.5390814E-01 Pxc 0.5439320E+01 Qxc -0.2581950E+01 3,-1 160 3 -1 2.009786 -0.852798 2.976248 Rho 0.1365562E+00 |GRAD(Rho)| 0.5314030E-15 GRAD(Rho)x 0.1684308E-15 GRAD(Rho)y -0.4687006E-15 GRAD(Rho)z -0.1853105E-15 Laplacian 0.5377828E+00 (-1/4)Del**2(Rho)) -0.1344457E+00 Diamond 0.9778898E+00 Metallicity 0.4640079E+01 Ellipticity 0.3048921E-01 Gb(Abramov) 0.1936036E+00 Vb(Abramov) -0.2527615E+00 Hb(Abramov) -0.5915788E-01 Ex_ueg -0.5193582E-01 Ec_ueg -0.7588554E-02 Delta_ex -0.5649194E-01 Delta_ec 0.1404952E-01 Delta_et -0.1846381E+00 Pxc 0.6843968E+01 Qxc -0.4020915E+01 3,-1 161 3 -1 1.971038 3.005651 -0.862589 Rho 0.1475633E+00 |GRAD(Rho)| 0.4676798E-15 GRAD(Rho)x -0.1024029E-15 GRAD(Rho)y 0.1626439E-15 GRAD(Rho)z -0.4263625E-15 Laplacian 0.5802387E+00 (-1/4)Del**2(Rho)) -0.1450597E+00 Diamond 0.1157297E+01 Metallicity 0.4893695E+01 Ellipticity 0.4402162E-01 Gb(Abramov) 0.2150194E+00 Vb(Abramov) -0.2849792E+00 Hb(Abramov) -0.6995974E-01 Ex_ueg -0.5759119E-01 Ec_ueg -0.8287711E-02 Delta_ex -0.6210635E-01 Delta_ec 0.1486092E-01 Delta_et -0.1975514E+00 Pxc 0.6948987E+01 Qxc -0.4179173E+01 3,-1 162 3 +1 2.897308 -0.198093 0.180374 Rho 0.5402837E-02 |GRAD(Rho)| 0.6781087E-17 GRAD(Rho)x -0.7640697E-18 GRAD(Rho)y 0.1452231E-17 GRAD(Rho)z 0.6579541E-17 Laplacian 0.2243058E-01 (-1/4)Del**2(Rho)) -0.5607645E-02 Diamond 0.5327540E-03 Metallicity 0.5110645E+00 Ellipticity -0.2204279E+01 Gb(Abramov) 0.4216075E-02 Vb(Abramov) -0.2824504E-02 Hb(Abramov) 0.1391570E-02 Ex_ueg -0.7001872E-03 Ec_ueg -0.1642895E-03 Delta_ex -0.1092120E-02 Delta_ec 0.6349011E-03 Delta_et -0.3557764E-02 Pxc 0.4261911E+01 Qxc -0.1720142E+01 3,+1 163 3 -1 1.817079 -0.554357 -2.763589 Rho 0.1366378E+00 |GRAD(Rho)| 0.3380066E-09 GRAD(Rho)x -0.2488355E-09 GRAD(Rho)y -0.2146842E-09 GRAD(Rho)z -0.7899381E-10 Laplacian 0.5749427E+00 (-1/4)Del**2(Rho)) -0.1437357E+00 Diamond 0.1043593E+01 Metallicity 0.4344503E+01 Ellipticity 0.8568312E-02 Gb(Abramov) 0.1999005E+00 Vb(Abramov) -0.2560653E+00 Hb(Abramov) -0.5616480E-01 Ex_ueg -0.5197721E-01 Ec_ueg -0.7593709E-02 Delta_ex -0.6037466E-01 Delta_ec 0.1496543E-01 Delta_et -0.1965879E+00 Pxc 0.6844772E+01 Qxc -0.4034274E+01 3,-1 164 3 -1 2.769059 -1.834661 -0.550068 Rho 0.1211459E+00 |GRAD(Rho)| 0.2336078E-14 GRAD(Rho)x 0.9805626E-15 GRAD(Rho)y 0.2092903E-14 GRAD(Rho)z 0.3398703E-15 Laplacian 0.5076667E+00 (-1/4)Del**2(Rho)) -0.1269167E+00 Diamond 0.7868377E+00 Metallicity 0.4026079E+01 Ellipticity 0.5286653E-02 Gb(Abramov) 0.1697739E+00 Vb(Abramov) -0.2126311E+00 Hb(Abramov) -0.4285720E-01 Ex_ueg -0.4427208E-01 Ec_ueg -0.6622922E-02 Delta_ex -0.5164860E-01 Delta_ec 0.1334804E-01 Delta_et -0.1714906E+00 Pxc 0.6684675E+01 Qxc -0.3869377E+01 3,-1 165 3 -1 2.977347 2.007308 -0.855030 Rho 0.1366875E+00 |GRAD(Rho)| 0.1449947E-15 GRAD(Rho)x 0.7552823E-16 GRAD(Rho)y 0.1234500E-15 GRAD(Rho)z 0.8890458E-17 Laplacian 0.5374910E+00 (-1/4)Del**2(Rho)) -0.1343727E+00 Diamond 0.9787865E+00 Metallicity 0.4650038E+01 Ellipticity 0.3038874E-01 Gb(Abramov) 0.1937216E+00 Vb(Abramov) -0.2530704E+00 Hb(Abramov) -0.5934882E-01 Ex_ueg -0.5200240E-01 Ec_ueg -0.7596847E-02 Delta_ex -0.5647781E-01 Delta_ec 0.1404466E-01 Delta_et -0.1846138E+00 Pxc 0.6845261E+01 Qxc -0.4021302E+01 3,-1 166 3 -1 2.762372 1.814918 0.551252 Rho 0.1349303E+00 |GRAD(Rho)| 0.1905697E-15 GRAD(Rho)x 0.1762506E-16 GRAD(Rho)y -0.1897489E-15 GRAD(Rho)z -0.1233280E-17 Laplacian 0.5673110E+00 (-1/4)Del**2(Rho)) -0.1418278E+00 Diamond 0.1014490E+01 Metallicity 0.4311625E+01 Ellipticity 0.8752613E-02 Gb(Abramov) 0.1964699E+00 Vb(Abramov) -0.2511120E+00 Hb(Abramov) -0.5464210E-01 Ex_ueg -0.5111295E-01 Ec_ueg -0.7485930E-02 Delta_ex -0.5939412E-01 Delta_ec 0.1481555E-01 Delta_et -0.1942449E+00 Pxc 0.6827869E+01 Qxc -0.4008903E+01 3,-1 167 3 -1 3.226702 -0.065911 -3.171873 Rho 0.2524388E+00 |GRAD(Rho)| 0.1810900E-15 GRAD(Rho)x 0.5355959E-16 GRAD(Rho)y -0.5524010E-16 GRAD(Rho)z -0.1639314E-15 Laplacian 0.9204660E+00 (-1/4)Del**2(Rho)) -0.2301165E+00 Diamond 0.3443990E+01 Metallicity 0.7548587E+01 Ellipticity 0.1893363E-02 Gb(Abramov) 0.4429201E+00 Vb(Abramov) -0.6557237E+00 Hb(Abramov) -0.2128036E+00 Ex_ueg -0.1178311E+00 Ec_ueg -0.1530321E-01 Delta_ex -0.1126150E+00 Delta_ec 0.1988897E-01 Delta_et -0.2752209E+00 Pxc 0.7699765E+01 Qxc -0.5662184E+01 3,-1 168 3 -1 2.895879 0.035921 -0.047947 Rho 0.5489975E-02 |GRAD(Rho)| 0.6418108E-17 GRAD(Rho)x -0.2459595E-17 GRAD(Rho)y -0.5693041E-17 GRAD(Rho)z -0.1652811E-17 Laplacian 0.2198981E-01 (-1/4)Del**2(Rho)) -0.5497453E-02 Diamond 0.6602163E-03 Metallicity 0.5353965E+00 Ellipticity 0.3289117E+01 Gb(Abramov) 0.4155521E-02 Vb(Abramov) -0.2813590E-02 Hb(Abramov) 0.1341931E-02 Ex_ueg -0.7152845E-03 Ec_ueg -0.1680590E-03 Delta_ex -0.1177882E-02 Delta_ec 0.8076567E-03 Delta_et -0.4464971E-02 Pxc 0.4256152E+01 Qxc -0.1458395E+01 3,-1 169 3 -1 2.785400 0.565869 1.782759 Rho 0.1464455E+00 |GRAD(Rho)| 0.1016074E-15 GRAD(Rho)x 0.1373549E-16 GRAD(Rho)y -0.3098108E-16 GRAD(Rho)z 0.9578926E-16 Laplacian 0.6177164E+00 (-1/4)Del**2(Rho)) -0.1544291E+00 Diamond 0.1213459E+01 Metallicity 0.4538902E+01 Ellipticity 0.9773115E-02 Gb(Abramov) 0.2197758E+00 Vb(Abramov) -0.2851225E+00 Hb(Abramov) -0.6534671E-01 Ex_ueg -0.5701027E-01 Ec_ueg -0.8216364E-02 Delta_ex -0.6591883E-01 Delta_ec 0.1571480E-01 Delta_et -0.2083735E+00 Pxc 0.6938625E+01 Qxc -0.4194696E+01 3,-1 170 3 -1 3.224715 0.067675 3.171206 Rho 0.2527681E+00 |GRAD(Rho)| 0.2900173E-14 GRAD(Rho)x 0.2162983E-14 GRAD(Rho)y 0.1848077E-14 GRAD(Rho)z -0.5631346E-15 Laplacian 0.9205641E+00 (-1/4)Del**2(Rho)) -0.2301410E+00 Diamond 0.3450214E+01 Metallicity 0.7564197E+01 Ellipticity 0.1189190E-02 Gb(Abramov) 0.4435660E+00 Vb(Abramov) -0.6569910E+00 Hb(Abramov) -0.2134250E+00 Ex_ueg -0.1180361E+00 Ec_ueg -0.1532619E-01 Delta_ex -0.1126678E+00 Delta_ec 0.1988714E-01 Delta_et -0.2752204E+00 Pxc 0.7701589E+01 Qxc -0.5665361E+01 3,-1 171 3 -1 3.003482 0.862956 -1.973519 Rho 0.1452376E+00 |GRAD(Rho)| 0.6825849E-13 GRAD(Rho)x -0.2368136E-13 GRAD(Rho)y -0.5006538E-13 GRAD(Rho)z -0.3989827E-13 Laplacian 0.5719919E+00 (-1/4)Del**2(Rho)) -0.1429980E+00 Diamond 0.1118476E+01 Metallicity 0.4834537E+01 Ellipticity 0.4185208E-01 Gb(Abramov) 0.2105535E+00 Vb(Abramov) -0.2781090E+00 Hb(Abramov) -0.6755551E-01 Ex_ueg -0.5638415E-01 Ec_ueg -0.8139350E-02 Delta_ex -0.6097764E-01 Delta_ec 0.1469205E-01 Delta_et -0.1948257E+00 Pxc 0.6927353E+01 Qxc -0.4150384E+01 3,-1 172 3 -1 3.179590 -3.232194 -0.054374 Rho 0.2426731E+00 |GRAD(Rho)| 0.6251462E-10 GRAD(Rho)x 0.4327403E-10 GRAD(Rho)y -0.4349354E-10 GRAD(Rho)z -0.1198949E-10 Laplacian 0.8622900E+00 (-1/4)Del**2(Rho)) -0.2155725E+00 Diamond 0.3108750E+01 Metallicity 0.7545059E+01 Ellipticity 0.7973637E-04 Gb(Abramov) 0.4147995E+00 Vb(Abramov) -0.6140266E+00 Hb(Abramov) -0.1992270E+00 Ex_ueg -0.1117928E+00 Ec_ueg -0.1462410E-01 Delta_ex -0.1045794E+00 Delta_ec 0.1915600E-01 Delta_et -0.2662006E+00 Pxc 0.7644428E+01 Qxc -0.5459352E+01 3,-1 173 3 -1 3.169535 3.225214 0.062356 Rho 0.2525599E+00 |GRAD(Rho)| 0.3511787E-15 GRAD(Rho)x -0.8684459E-16 GRAD(Rho)y 0.3361027E-15 GRAD(Rho)z 0.5309880E-16 Laplacian 0.9211755E+00 (-1/4)Del**2(Rho)) -0.2302939E+00 Diamond 0.3447820E+01 Metallicity 0.7548802E+01 Ellipticity 0.1228663E-02 Gb(Abramov) 0.4432698E+00 Vb(Abramov) -0.6562456E+00 Hb(Abramov) -0.2129759E+00 Ex_ueg -0.1179064E+00 Ec_ueg -0.1531166E-01 Delta_ex -0.1127119E+00 Delta_ec 0.1989415E-01 Delta_et -0.2752605E+00 Pxc 0.7700436E+01 Qxc -0.5665584E+01 3,-1 174 3 -1 3.003734 -0.858797 1.970725 Rho 0.1433743E+00 |GRAD(Rho)| 0.2244284E-13 GRAD(Rho)x -0.1942164E-13 GRAD(Rho)y -0.2606923E-14 GRAD(Rho)z -0.1094006E-13 Laplacian 0.5641277E+00 (-1/4)Del**2(Rho)) -0.1410319E+00 Diamond 0.1087799E+01 Metallicity 0.4797572E+01 Ellipticity 0.3903201E-01 Gb(Abramov) 0.2067897E+00 Vb(Abramov) -0.2725476E+00 Hb(Abramov) -0.6575782E-01 Ex_ueg -0.5542176E-01 Ec_ueg -0.8020734E-02 Delta_ex -0.5996759E-01 Delta_ec 0.1456768E-01 Delta_et -0.1928791E+00 Pxc 0.6909811E+01 Qxc -0.4116483E+01 3,-1 175 3 -1 -2.002750 -0.851646 -2.976713 Rho 0.1406063E+00 |GRAD(Rho)| 0.4987535E-15 GRAD(Rho)x 0.1635112E-15 GRAD(Rho)y 0.4464202E-15 GRAD(Rho)z 0.1507583E-15 Laplacian 0.5539418E+00 (-1/4)Del**2(Rho)) -0.1384855E+00 Diamond 0.1042962E+01 Metallicity 0.4729592E+01 Ellipticity 0.3416219E-01 Gb(Abramov) 0.2014869E+00 Vb(Abramov) -0.2644884E+00 Hb(Abramov) -0.6300147E-01 Ex_ueg -0.5399971E-01 Ec_ueg -0.7844921E-02 Delta_ex -0.5860061E-01 Delta_ec 0.1436364E-01 Delta_et -0.1896037E+00 Pxc 0.6883398E+01 Qxc -0.4079789E+01 3,-1 176 3 -1 -3.012311 0.862496 1.979382 Rho 0.1405187E+00 |GRAD(Rho)| 0.2091367E-15 GRAD(Rho)x 0.7390193E-16 GRAD(Rho)y -0.1577379E-15 GRAD(Rho)z 0.1157386E-15 Laplacian 0.5505234E+00 (-1/4)Del**2(Rho)) -0.1376309E+00 Diamond 0.1022153E+01 Metallicity 0.4754020E+01 Ellipticity 0.5794356E-01 Gb(Abramov) 0.2008039E+00 Vb(Abramov) -0.2639769E+00 Hb(Abramov) -0.6317303E-01 Ex_ueg -0.5395487E-01 Ec_ueg -0.7839366E-02 Delta_ex -0.5808239E-01 Delta_ec 0.1401334E-01 Delta_et -0.1844127E+00 Pxc 0.6882555E+01 Qxc -0.4144792E+01 3,-1 177 3 -1 0.055911 -0.062221 2.893291 Rho 0.5448702E-02 |GRAD(Rho)| 0.5336367E-17 GRAD(Rho)x -0.6416172E-18 GRAD(Rho)y 0.4912319E-17 GRAD(Rho)z 0.1983496E-17 Laplacian 0.2188264E-01 (-1/4)Del**2(Rho)) -0.5470660E-02 Diamond 0.6430880E-03 Metallicity 0.5312943E+00 Ellipticity 0.4571180E+01 Gb(Abramov) 0.4131529E-02 Vb(Abramov) -0.2792397E-02 Hb(Abramov) 0.1339132E-02 Ex_ueg -0.7081237E-03 Ec_ueg -0.1662731E-03 Delta_ex -0.1164478E-02 Delta_ec 0.7929540E-03 Delta_et -0.4377330E-02 Pxc 0.4258799E+01 Qxc -0.1468531E+01 3,-1 178 3 -1 0.562356 -2.762972 -1.818082 Rho 0.1429421E+00 |GRAD(Rho)| 0.3216364E-15 GRAD(Rho)x 0.2694107E-15 GRAD(Rho)y 0.4592951E-16 GRAD(Rho)z -0.1695828E-15 Laplacian 0.6004036E+00 (-1/4)Del**2(Rho)) -0.1501009E+00 Diamond 0.1148175E+01 Metallicity 0.4485077E+01 Ellipticity 0.9068923E-02 Gb(Abramov) 0.2122696E+00 Vb(Abramov) -0.2744383E+00 Hb(Abramov) -0.6216871E-01 Ex_ueg -0.5519907E-01 Ec_ueg -0.7993246E-02 Delta_ex -0.6371960E-01 Delta_ec 0.1541380E-01 Delta_et -0.2037725E+00 Pxc 0.6905714E+01 Qxc -0.4133931E+01 3,-1 179 3 -1 0.551160 2.756160 1.818730 Rho 0.1346951E+00 |GRAD(Rho)| 0.2369616E-15 GRAD(Rho)x -0.4475044E-16 GRAD(Rho)y -0.1058452E-15 GRAD(Rho)z 0.2072317E-15 Laplacian 0.5671457E+00 (-1/4)Del**2(Rho)) -0.1417864E+00 Diamond 0.1011771E+01 Metallicity 0.4300362E+01 Ellipticity 0.8857123E-02 Gb(Abramov) 0.1961464E+00 Vb(Abramov) -0.2505064E+00 Hb(Abramov) -0.5436001E-01 Ex_ueg -0.5099421E-01 Ec_ueg -0.7471102E-02 Delta_ex -0.5934829E-01 Delta_ec 0.1481130E-01 Delta_et -0.1941238E+00 Pxc 0.6825527E+01 Qxc -0.4006960E+01 3,-1 180 3 -1 0.847078 2.982767 -2.017416 Rho 0.1261077E+00 |GRAD(Rho)| 0.3051147E-14 GRAD(Rho)x -0.2219572E-14 GRAD(Rho)y -0.6732286E-15 GRAD(Rho)z -0.1982362E-14 Laplacian 0.4919583E+00 (-1/4)Del**2(Rho)) -0.1229896E+00 Diamond 0.8034255E+00 Metallicity 0.4442094E+01 Ellipticity 0.3986452E-01 Gb(Abramov) 0.1730482E+00 Vb(Abramov) -0.2231069E+00 Hb(Abramov) -0.5005867E-01 Ex_ueg -0.4670614E-01 Ec_ueg -0.6932101E-02 Delta_ex -0.5057624E-01 Delta_ec 0.1288508E-01 Delta_et -0.1667852E+00 Pxc 0.6737660E+01 Qxc -0.3925178E+01 3,-1 181 3 -1 1.803088 -2.789390 -0.559579 Rho 0.1294283E+00 |GRAD(Rho)| 0.4455030E-15 GRAD(Rho)x 0.3689947E-15 GRAD(Rho)y 0.2955467E-16 GRAD(Rho)z 0.2478757E-15 Laplacian 0.5441413E+00 (-1/4)Del**2(Rho)) -0.1360353E+00 Diamond 0.9113040E+00 Metallicity 0.4193888E+01 Ellipticity 0.1137467E-01 Gb(Abramov) 0.1857764E+00 Vb(Abramov) -0.2355175E+00 Hb(Abramov) -0.4974106E-01 Ex_ueg -0.4835307E-01 Ec_ueg -0.7139943E-02 Delta_ex -0.5622542E-01 Delta_ec 0.1404378E-01 Delta_et -0.1823302E+00 Pxc 0.6772193E+01 Qxc -0.4003582E+01 3,-1 182 3 -1 1.784081 2.780039 0.564784 Rho 0.1461574E+00 |GRAD(Rho)| 0.3102440E-12 GRAD(Rho)x 0.2322895E-12 GRAD(Rho)y -0.3538020E-13 GRAD(Rho)z -0.2025861E-12 Laplacian 0.6167511E+00 (-1/4)Del**2(Rho)) -0.1541878E+00 Diamond 0.1208900E+01 Metallicity 0.4531112E+01 Ellipticity 0.1012988E-01 Gb(Abramov) 0.2192322E+00 Vb(Abramov) -0.2842766E+00 Hb(Abramov) -0.6504441E-01 Ex_ueg -0.5686080E-01 Ec_ueg -0.8197990E-02 Delta_ex -0.6578611E-01 Delta_ec 0.1570154E-01 Delta_et -0.2081475E+00 Pxc 0.6935944E+01 Qxc -0.4189786E+01 3,-1 183 3 -1 -1.839962 -0.552774 2.763873 Rho 0.1188336E+00 |GRAD(Rho)| 0.5200510E-16 GRAD(Rho)x 0.3630044E-16 GRAD(Rho)y -0.3699162E-16 GRAD(Rho)z -0.4292763E-17 Laplacian 0.4972285E+00 (-1/4)Del**2(Rho)) -0.1243071E+00 Diamond 0.7538885E+00 Metallicity 0.3980667E+01 Ellipticity 0.4458000E-02 Gb(Abramov) 0.1653423E+00 Vb(Abramov) -0.2063775E+00 Hb(Abramov) -0.4103518E-01 Ex_ueg -0.4314900E-01 Ec_ueg -0.6479420E-02 Delta_ex -0.5036585E-01 Delta_ec 0.1315437E-01 Delta_et -0.1684812E+00 Pxc 0.6659392E+01 Qxc -0.3828830E+01 3,-1 184 3 -1 -0.463996 -0.465888 -0.475129 Rho 0.1876088E+00 |GRAD(Rho)| 0.3319000E-13 GRAD(Rho)x 0.1935604E-13 GRAD(Rho)y 0.1908890E-13 GRAD(Rho)z 0.1904032E-13 Laplacian 0.5203608E+00 (-1/4)Del**2(Rho)) -0.1300902E+00 Diamond 0.1407692E+01 Metallicity 0.8141991E+01 Ellipticity 0.2761494E-02 Gb(Abramov) 0.2632590E+00 Vb(Abramov) -0.3964278E+00 Hb(Abramov) -0.1331688E+00 Ex_ueg -0.7932121E-01 Ec_ueg -0.1089310E-01 Delta_ex -0.5929670E-01 Delta_ec 0.1283530E-01 Delta_et -0.1766284E+00 Pxc 0.7281783E+01 Qxc -0.4619814E+01 3,-1 185 3 -1 1.817542 0.556698 2.762347 Rho 0.1395174E+00 |GRAD(Rho)| 0.4955691E-13 GRAD(Rho)x 0.3103203E-14 GRAD(Rho)y 0.4773043E-13 GRAD(Rho)z -0.1296393E-13 Laplacian 0.5877480E+00 (-1/4)Del**2(Rho)) -0.1469370E+00 Diamond 0.1093260E+01 Metallicity 0.4400168E+01 Ellipticity 0.7179081E-02 Gb(Abramov) 0.2057159E+00 Vb(Abramov) -0.2644948E+00 Hb(Abramov) -0.5877892E-01 Ex_ueg -0.5344284E-01 Ec_ueg -0.7775891E-02 Delta_ex -0.6202581E-01 Delta_ec 0.1520902E-01 Delta_et -0.2004022E+00 Pxc 0.6872890E+01 Qxc -0.4078226E+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 80 81 82 144 111 125 145 114 123 110 142 178 109 103 121 131 107 129 141 180 132 106 139 179 108 115 134 159 164 181 153 154 172 151 166 182 165 161 173 94 77 65 79 95 64 76 81 62 80 91 61 58 87 83 66 175 72 59 70 183 176 88 74 150 169 185 174 160 170 158 152 163 171 155 167 138 184 148 118 68 168 116 177 133 122 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 17 18 21 22 25 26 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 19 20 23 24 27 28 2.377061 1.904181 1.950278 1.935894 1.976527 1.724918 2.382242 1.925862 1.931234 1.946789 1.959347 1.724320 2.426385 1.930038 1.974752 1.928302 1.969920 1.712799 2.382408 1.931481 1.954332 1.924145 1.954539 1.724253 2.425076 1.973165 1.945953 1.955546 1.926666 1.712697 2.374508 1.953750 1.921727 1.960979 1.930601 1.724493 2.375622 1.942547 1.906638 1.976828 1.940840 1.724779 2.424673 1.964067 1.928658 1.968331 1.939050 1.712860 2.382746 1.931480 1.949056 1.932894 1.949417 1.724321 2.426441 1.918084 1.981048 1.925551 1.978197 1.713218 2.381994 1.921062 1.940380 1.941947 1.961209 1.724212 2.376354 1.909265 1.948621 1.936564 1.972947 1.724678 1.694739 1.694118 1.695135 1.694615 3.266965 3.256623 3.260032 3.260832 3.257493 3.267502 2.378794 1.904631 1.950679 1.936562 1.977202 1.724922 2.383992 1.926278 1.931670 1.947475 1.960011 1.724325 2.427931 1.930585 1.975305 1.929121 1.970774 1.712814 2.384164 1.931904 1.954720 1.924813 1.955210 1.724259 2.426628 1.973723 1.946499 1.956375 1.927485 1.712712 2.376230 1.954136 1.922150 1.961657 1.931269 1.724500 2.377344 1.942921 1.907093 1.977498 1.941525 1.724783 2.426233 1.964629 1.929214 1.969185 1.939877 1.712873 2.384513 1.931901 1.949484 1.933560 1.950087 1.724326 2.427999 1.918671 1.981595 1.926362 1.979069 1.713233 2.383730 1.921487 1.940774 1.942625 1.961890 1.724218 2.378077 1.909719 1.948997 1.937242 1.973615 1.724682 1.694743 1.694122 1.695139 1.694619 3.275641 3.267914 3.270795 3.274629 3.268925 3.276370 30 27 27 28 27 23 30 27 27 27 27 23 29 27 27 26 28 23 31 27 29 27 28 25 29 28 25 29 27 23 32 28 28 27 28 24 30 27 27 26 28 22 29 27 27 25 28 23 30 27 27 27 28 24 29 27 28 26 28 23 31 29 29 27 27 25 30 27 28 28 26 23 23 24 23 24 35 35 35 35 35 35 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 W W Mo W Mo W W Mo W Mo W 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 2.5046 2.5125 2.3998 2.5156 2.3961 2.5165 2.5105 2.3959 2.5105 2.4002 2.5171 2.5119 -1.1394 -1.1395 -1.1403 -1.1399 -0.8944 -0.9209 -0.9478 -0.9498 -0.9478 -0.9506 -0.9177 -0.9190 -0.9206 -0.9133 -0.9508 -0.9177 -0.9073 -0.9088 -0.9425 -0.9038 -0.9432 -0.9036 -0.9090 -0.9425 -0.9045 -0.9429 -0.9023 -0.9085 -0.7363 -0.7350 -0.6551 -0.7357 -0.6545 -0.7361 -0.7365 -0.6550 -0.7350 -0.6565 -0.7355 -0.7364 2.5449 2.0815 2.0817 1.9440 2.0825 1.9475 2.0818 2.0815 1.9421 2.0814 1.9386 2.0819 2.0808 1.9367 1.9370 1.9364 1.9367 1.9430 1.9382 1.9352 1.9346 1.9353 1.9343 1.9389 1.9391 1.9383 1.9401 1.9344 1.9386 1.9501 1.9500 1.9491 1.9512 1.9492 1.9512 1.9499 1.9491 1.9509 1.9490 1.9512 1.9499 1.9746 1.9749 1.9869 1.9749 1.9869 1.9749 1.9747 1.9868 1.9749 1.9866 1.9751 1.9747 0.8009 6.0821 6.0824 6.0471 6.0834 6.0473 6.0833 6.0829 6.0459 6.0829 6.0456 6.0831 6.0826 5.1628 5.1627 5.1640 5.1632 4.9251 4.9545 4.9823 4.9850 4.9822 4.9860 4.9508 4.9516 4.9539 4.9451 4.9863 4.9510 4.9266 4.9282 4.9606 4.9221 4.9612 4.9220 4.9285 4.9605 4.9230 4.9610 4.9207 4.9279 4.7235 4.7217 4.6317 4.7223 4.6311 4.7229 4.7235 4.6317 4.7218 4.6335 4.7220 4.7233 1.1064 3.3030 3.2945 3.6091 3.2896 3.6091 3.2895 3.2963 3.6160 3.2963 3.6157 3.2890 3.2958 0.0399 0.0399 0.0399 0.0399 0.0262 0.0282 0.0302 0.0302 0.0303 0.0303 0.0280 0.0284 0.0284 0.0281 0.0301 0.0281 0.0306 0.0306 0.0328 0.0305 0.0328 0.0304 0.0306 0.0328 0.0306 0.0329 0.0303 0.0306 0.0383 0.0384 0.0365 0.0384 0.0365 0.0383 0.0383 0.0365 0.0384 0.0364 0.0384 0.0383 10.5478 14.0289 14.0289 0.0000 14.0289 0.0000 14.0289 14.0289 0.0000 14.0289 0.0000 14.0289 14.0289 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 W W Mo W Mo W W Mo W Mo W 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 2.519909 2.522081 3.180938 2.523195 3.181822 2.523266 2.521603 3.180916 2.522196 3.179900 2.523175 2.521431 -1.137377 -1.137019 -1.137796 -1.137120 -1.164489 -1.045498 -0.938681 -0.941373 -0.938568 -0.941628 -1.056331 -1.040576 -1.044789 -1.052987 -0.942008 -1.052243 -1.015963 -1.012589 -0.907306 -1.022325 -0.907320 -1.021463 -1.011303 -0.907089 -1.018978 -0.907609 -1.021191 -1.012770 -0.759515 -0.758029 -0.920945 -0.758694 -0.920546 -0.759283 -0.759709 -0.920256 -0.758045 -0.921673 -0.758382 -0.759360 2.328393 1.962965 1.956899 2.373890 1.952615 2.374245 1.952651 1.957835 2.379587 1.957183 2.379544 1.952115 1.957908 -0.821619 -0.823882 -0.819464 -0.821456 -0.905356 -0.805096 -0.701608 -0.705242 -0.702994 -0.702113 -0.804773 -0.803472 -0.805187 -0.803541 -0.705047 -0.803107 -0.822525 -0.819610 -0.735700 -0.823655 -0.734700 -0.826023 -0.823996 -0.732844 -0.820380 -0.734508 -0.823257 -0.823877 -0.633374 -0.635137 -0.677054 -0.638152 -0.676816 -0.638592 -0.636135 -0.674071 -0.635329 -0.674961 -0.637838 -0.635785 1.690838 2.058911 2.053103 2.453827 2.047651 2.453991 2.047763 2.052931 2.460127 2.053301 2.459609 2.047555 2.053534 -0.855087 -0.856451 -0.853263 -0.854823 -0.980909 -0.881989 -0.781698 -0.783217 -0.782520 -0.781568 -0.884625 -0.880743 -0.880456 -0.882624 -0.784448 -0.882061 -0.858108 -0.852538 -0.771958 -0.856089 -0.771572 -0.860081 -0.858479 -0.770064 -0.854390 -0.771372 -0.854732 -0.858293 -0.598386 -0.599472 -0.638849 -0.603447 -0.638795 -0.603834 -0.601014 -0.635486 -0.600205 -0.637176 -0.602505 -0.600683 1.661705 -1.01166245 -1.18425092 -0.13768044 1.56360707 1.29073393 0.09109732 -3.86263521 1.50876780 -4.10318628 -2.79950173 -393.5330 414.0560 -92.4635 -371.3418 -10.3062 -453.5885 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:26 Nodes: 1 Procs: 1 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:01 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.59519261 -16.66122761 -16.66521511 -16.66697452 -16.66751134 -16.66819308 -16.66834435 -16.66849667 -16.66859809 -16.66875478 -16.66883725 -16.66890735 -16.66897016 -16.66903210 -16.66905815 -16.66906925 GEOMETRY CONVERGED