ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:31 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.26 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 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:42 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.06 0.05 1.36 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 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:53 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.03 1.11 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 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:53 Nodes: 1 Procs: 1 Jun10-2024 15:28:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:04 Arsenic (TZP, 3p frozen) c11-27 c11-27 c11-27 c11-27 c11-27 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.04 2.24 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 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:53 Nodes: 1 Procs: 1 Jun10-2024 15:28:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:04 Nodes: 1 Procs: 1 Jun10-2024 15:29:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:21 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2481.477600000002 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3,-3 48 3 -3 -3.702390 -3.798050 0.208637 Rho 0.3194041E+03 3,-3 49 3 -3 -3.812605 0.204703 -3.699786 Rho 0.3194045E+03 3,-3 50 3 -3 -3.799843 -0.211953 3.702966 Rho 0.3194045E+03 3,-3 51 3 -3 3.798488 0.208611 3.682919 Rho 0.3194006E+03 3,-3 52 3 -3 3.808043 -0.211540 -3.696947 Rho 0.3195477E+03 3,-3 53 3 -3 0.006773 0.010656 -0.003151 Rho 0.4276078E+05 3,-3 54 3 +1 -2.889218 0.161960 0.168242 Rho 0.5484483E-02 |GRAD(Rho)| 0.9755597E-17 GRAD(Rho)x 0.7206946E-17 GRAD(Rho)y 0.5582652E-17 GRAD(Rho)z 0.3473559E-17 Laplacian 0.2259675E-01 (-1/4)Del**2(Rho)) -0.5649188E-02 Diamond 0.5691485E-03 Metallicity 0.5201476E+00 Ellipticity -0.2742914E+01 Gb(Abramov) 0.4255861E-02 Vb(Abramov) -0.2862533E-02 Hb(Abramov) 0.1393327E-02 Ex_ueg -0.7143306E-03 Ec_ueg -0.1678213E-03 Delta_ex -0.1121208E-02 Delta_ec 0.6711163E-03 Delta_et -0.3763438E-02 Pxc 0.4256496E+01 Qxc -0.1670661E+01 3,+1 55 3 +1 -1.661818 0.527369 -0.531827 Rho 0.9051950E-02 |GRAD(Rho)| 0.8637601E-15 GRAD(Rho)x 0.4960328E-15 GRAD(Rho)y 0.1318088E-15 GRAD(Rho)z 0.6947370E-15 Laplacian 0.3543301E-01 (-1/4)Del**2(Rho)) -0.8858252E-02 Diamond 0.1004471E-02 Metallicity 0.7646137E+00 Ellipticity -0.1448812E+01 Gb(Abramov) 0.7034358E-02 Vb(Abramov) -0.5210464E-02 Hb(Abramov) 0.1823894E-02 Ex_ueg -0.1393289E-02 Ec_ueg -0.3252467E-03 Delta_ex -0.1634698E-02 Delta_ec 0.4893263E-03 Delta_et -0.3396196E-02 Pxc 0.4283792E+01 Qxc -0.3340710E+01 3,+1 56 3 +1 0.537819 -0.518203 -1.657397 Rho 0.9061669E-02 |GRAD(Rho)| 0.5526512E-17 GRAD(Rho)x 0.4623364E-17 GRAD(Rho)y -0.1728417E-17 GRAD(Rho)z -0.2485843E-17 Laplacian 0.3516608E-01 (-1/4)Del**2(Rho)) -0.8791520E-02 Diamond 0.1015048E-02 Metallicity 0.7717965E+00 Ellipticity -0.1479308E+01 Gb(Abramov) 0.6991891E-02 Vb(Abramov) -0.5192262E-02 Hb(Abramov) 0.1799629E-02 Ex_ueg -0.1395284E-02 Ec_ueg -0.3256835E-03 Delta_ex -0.1629838E-02 Delta_ec 0.4981573E-03 Delta_et -0.3448245E-02 Pxc 0.4284172E+01 Qxc -0.3271734E+01 3,+1 57 3 +1 0.538869 -1.667036 -0.530458 Rho 0.8622864E-02 |GRAD(Rho)| 0.1144012E-12 GRAD(Rho)x -0.3981680E-13 GRAD(Rho)y 0.9905109E-13 GRAD(Rho)z 0.4112350E-13 Laplacian 0.3358471E-01 (-1/4)Del**2(Rho)) -0.8396178E-02 Diamond 0.9106998E-03 Metallicity 0.7439735E+00 Ellipticity -0.1459139E+01 Gb(Abramov) 0.6638541E-02 Vb(Abramov) -0.4880904E-02 Hb(Abramov) 0.1757637E-02 Ex_ueg -0.1305932E-02 Ec_ueg -0.3060032E-03 Delta_ex -0.1539206E-02 Delta_ec 0.4795430E-03 Delta_et -0.3274251E-02 Pxc 0.4267705E+01 Qxc -0.3209735E+01 3,+1 58 3 -1 -3.017137 -0.868157 -1.960696 Rho 0.1459266E+00 |GRAD(Rho)| 0.3704183E-12 GRAD(Rho)x -0.5645561E-13 GRAD(Rho)y -0.3204075E-12 GRAD(Rho)z 0.1770918E-12 Laplacian 0.5761604E+00 (-1/4)Del**2(Rho)) -0.1440401E+00 Diamond 0.1132237E+01 Metallicity 0.4837569E+01 Ellipticity 0.4090319E-01 Gb(Abramov) 0.2121607E+00 Vb(Abramov) -0.2802814E+00 Hb(Abramov) -0.6812063E-01 Ex_ueg -0.5674109E-01 Ec_ueg -0.8183270E-02 Delta_ex -0.6148478E-01 Delta_ec 0.1476691E-01 Delta_et -0.1959199E+00 Pxc 0.6933792E+01 Qxc -0.4163687E+01 3,-1 59 3 +1 -1.742216 -1.737535 1.744292 Rho 0.1237605E-01 |GRAD(Rho)| 0.3664072E-16 GRAD(Rho)x -0.2701869E-16 GRAD(Rho)y 0.2424052E-16 GRAD(Rho)z 0.4993046E-17 Laplacian 0.6256125E-01 (-1/4)Del**2(Rho)) -0.1564031E-01 Diamond 0.2598147E-02 Metallicity 0.7293643E+00 Ellipticity -0.1241338E+01 Gb(Abramov) 0.1232812E-01 Vb(Abramov) -0.9015932E-02 Hb(Abramov) 0.3312190E-02 Ex_ueg -0.2114273E-02 Ec_ueg -0.4769565E-03 Delta_ex -0.3095587E-02 Delta_ec 0.8035888E-03 Delta_et -0.6077545E-02 Pxc 0.4432843E+01 Qxc -0.3852203E+01 3,+1 60 3 +3 -1.111406 -1.100291 1.103939 Rho 0.5261262E-02 |GRAD(Rho)| 0.3894616E-14 GRAD(Rho)x 0.2229692E-14 GRAD(Rho)y 0.2336382E-14 GRAD(Rho)z -0.2176656E-14 Laplacian 0.2061175E-01 (-1/4)Del**2(Rho)) -0.5152937E-02 Diamond 0.1533960E-03 Metallicity 0.5320856E+00 Ellipticity -0.3733717E-01 Gb(Abramov) 0.3892259E-02 Vb(Abramov) -0.2631580E-02 Hb(Abramov) 0.1260679E-02 Ex_ueg -0.6758312E-03 Ec_ueg -0.1581732E-03 Delta_ex -0.7214562E-03 Delta_ec 0.8932516E-04 Delta_et -0.7175348E-03 Pxc 0.4272728E+01 Qxc -0.8076741E+01 3,+3 61 3 -1 -1.750800 -0.533309 -1.711125 Rho 0.4684293E-01 |GRAD(Rho)| 0.3823317E-12 GRAD(Rho)x 0.2607381E-12 GRAD(Rho)y -0.1311805E-12 GRAD(Rho)z 0.2469511E-12 Laplacian 0.1907865E+00 (-1/4)Del**2(Rho)) -0.4769663E-01 Diamond 0.8744100E-01 Metallicity 0.2198563E+01 Ellipticity 0.1177800E-01 Gb(Abramov) 0.4927509E-01 Vb(Abramov) -0.5085356E-01 Hb(Abramov) -0.1578465E-02 Ex_ueg -0.1247126E-01 Ec_ueg -0.2241120E-02 Delta_ex -0.1539873E-01 Delta_ec 0.5597811E-02 Delta_et -0.5800537E-01 Pxc 0.5564745E+01 Qxc -0.2750848E+01 3,-1 62 3 +1 -2.893082 -0.169952 -0.158803 Rho 0.5488297E-02 |GRAD(Rho)| 0.1645202E-17 GRAD(Rho)x -0.1572564E-17 GRAD(Rho)y 0.2199515E-18 GRAD(Rho)z 0.4305273E-18 Laplacian 0.2262936E-01 (-1/4)Del**2(Rho)) -0.5657341E-02 Diamond 0.5757442E-03 Metallicity 0.5200002E+00 Ellipticity -0.2842958E+01 Gb(Abramov) 0.4261864E-02 Vb(Abramov) -0.2866387E-02 Hb(Abramov) 0.1395477E-02 Ex_ueg -0.7149931E-03 Ec_ueg -0.1679864E-03 Delta_ex -0.1127280E-02 Delta_ec 0.6797584E-03 Delta_et -0.3809439E-02 Pxc 0.4256257E+01 Qxc -0.1658353E+01 3,+1 63 3 +1 -0.180193 0.188201 2.892207 Rho 0.5355552E-02 |GRAD(Rho)| 0.6518605E-17 GRAD(Rho)x -0.4871435E-17 GRAD(Rho)y -0.4069710E-17 GRAD(Rho)z -0.1482833E-17 Laplacian 0.2227957E-01 (-1/4)Del**2(Rho)) -0.5569892E-02 Diamond 0.5362964E-03 Metallicity 0.5070454E+00 Ellipticity -0.2386018E+01 Gb(Abramov) 0.4183959E-02 Vb(Abramov) -0.2798027E-02 Hb(Abramov) 0.1385933E-02 Ex_ueg -0.6920287E-03 Ec_ueg -0.1622456E-03 Delta_ex -0.1094155E-02 Delta_ec 0.6508266E-03 Delta_et -0.3628504E-02 Pxc 0.4265315E+01 Qxc -0.1681177E+01 3,+1 64 3 -1 -3.138125 3.241222 -0.066901 Rho 0.2519023E+00 |GRAD(Rho)| 0.1130044E-11 GRAD(Rho)x 0.7816713E-12 GRAD(Rho)y -0.7876806E-12 GRAD(Rho)z 0.2134222E-12 Laplacian 0.9193562E+00 (-1/4)Del**2(Rho)) -0.2298390E+00 Diamond 0.3430674E+01 Metallicity 0.7530946E+01 Ellipticity 0.2305513E-02 Gb(Abramov) 0.4417103E+00 Vb(Abramov) -0.6535815E+00 Hb(Abramov) -0.2118712E+00 Ex_ueg -0.1174973E+00 Ec_ueg -0.1526576E-01 Delta_ex -0.1124145E+00 Delta_ec 0.1987466E-01 Delta_et -0.2749978E+00 Pxc 0.7696786E+01 Qxc -0.5656172E+01 3,-1 65 3 -1 -2.796510 0.565354 -1.777559 Rho 0.1487266E+00 |GRAD(Rho)| 0.2587131E-12 GRAD(Rho)x 0.5103136E-14 GRAD(Rho)y -0.1589620E-12 GRAD(Rho)z -0.2040527E-12 Laplacian 0.6273642E+00 (-1/4)Del**2(Rho)) -0.1568411E+00 Diamond 0.1254108E+01 Metallicity 0.4585722E+01 Ellipticity 0.1197411E-01 Gb(Abramov) 0.2244323E+00 Vb(Abramov) -0.2920235E+00 Hb(Abramov) -0.6759124E-01 Ex_ueg -0.5819735E-01 Ec_ueg -0.8362047E-02 Delta_ex -0.6718878E-01 Delta_ec 0.1587416E-01 Delta_et -0.2108887E+00 Pxc 0.6959701E+01 Qxc -0.4232588E+01 3,-1 66 3 -1 -2.897198 -0.007641 0.001410 Rho 0.5521212E-02 |GRAD(Rho)| 0.2226261E-15 GRAD(Rho)x 0.1919531E-15 GRAD(Rho)y -0.8377839E-16 GRAD(Rho)z -0.7548225E-16 Laplacian 0.2215077E-01 (-1/4)Del**2(Rho)) -0.5537694E-02 Diamond 0.6741398E-03 Metallicity 0.5365558E+00 Ellipticity 0.3056955E+01 Gb(Abramov) 0.4187009E-02 Vb(Abramov) -0.2836325E-02 Hb(Abramov) 0.1350684E-02 Ex_ueg -0.7207162E-03 Ec_ueg -0.1694112E-03 Delta_ex -0.1191006E-02 Delta_ec 0.8193804E-03 Delta_et -0.4535619E-02 Pxc 0.4254242E+01 Qxc -0.1453544E+01 3,-1 67 3 -1 -3.009116 0.864956 1.963574 Rho 0.1507144E+00 |GRAD(Rho)| 0.1582294E-15 GRAD(Rho)x 0.1114018E-16 GRAD(Rho)y -0.1395097E-15 GRAD(Rho)z -0.7382062E-16 Laplacian 0.5936105E+00 (-1/4)Del**2(Rho)) -0.1484026E+00 Diamond 0.1212081E+01 Metallicity 0.4954917E+01 Ellipticity 0.4704846E-01 Gb(Abramov) 0.2214889E+00 Vb(Abramov) -0.2945751E+00 Hb(Abramov) -0.7308624E-01 Ex_ueg -0.5923680E-01 Ec_ueg -0.8489265E-02 Delta_ex -0.6384491E-01 Delta_ec 0.1508314E-01 Delta_et -0.2010108E+00 Pxc 0.6977848E+01 Qxc -0.4232866E+01 3,-1 68 3 +3 -1.099975 1.101491 -1.134678 Rho 0.5275445E-02 |GRAD(Rho)| 0.2335563E-17 GRAD(Rho)x -0.7385962E-18 GRAD(Rho)y -0.1969558E-17 GRAD(Rho)z -0.1014972E-17 Laplacian 0.2048134E-01 (-1/4)Del**2(Rho)) -0.5120336E-02 Diamond 0.1517478E-03 Metallicity 0.5378814E+00 Ellipticity -0.7197130E-01 Gb(Abramov) 0.3872579E-02 Vb(Abramov) -0.2624823E-02 Hb(Abramov) 0.1247756E-02 Ex_ueg -0.6782615E-03 Ec_ueg -0.1587855E-03 Delta_ex -0.7163569E-03 Delta_ec 0.8684385E-04 Delta_et -0.7035103E-03 Pxc 0.4271558E+01 Qxc -0.8248793E+01 3,+3 69 3 +3 0.005511 0.033274 -2.327911 Rho 0.4679741E-02 |GRAD(Rho)| 0.2171141E-13 GRAD(Rho)x -0.3520443E-14 GRAD(Rho)y 0.1723789E-13 GRAD(Rho)z 0.1272190E-13 Laplacian 0.1907238E-01 (-1/4)Del**2(Rho)) -0.4768094E-02 Diamond 0.1762810E-03 Metallicity 0.4730548E+00 Ellipticity -0.3649214E+00 Gb(Abramov) 0.3554658E-02 Vb(Abramov) -0.2341221E-02 Hb(Abramov) 0.1213436E-02 Ex_ueg -0.5781149E-03 Ec_ueg -0.1331569E-03 Delta_ex -0.7023738E-03 Delta_ec 0.1829434E-03 Delta_et -0.1143956E-02 Pxc 0.4341607E+01 Qxc -0.3839296E+01 3,+3 70 3 +1 -0.535520 -0.523242 1.665048 Rho 0.8957471E-02 |GRAD(Rho)| 0.7953198E-17 GRAD(Rho)x 0.6078811E-17 GRAD(Rho)y -0.5995207E-18 GRAD(Rho)z -0.5093328E-17 Laplacian 0.3506301E-01 (-1/4)Del**2(Rho)) -0.8765752E-02 Diamond 0.9792029E-03 Metallicity 0.7592877E+00 Ellipticity -0.1444275E+01 Gb(Abramov) 0.6953123E-02 Vb(Abramov) -0.5140493E-02 Hb(Abramov) 0.1812629E-02 Ex_ueg -0.1373933E-02 Ec_ueg -0.3210026E-03 Delta_ex -0.1613026E-02 Delta_ec 0.4837183E-03 Delta_et -0.3348708E-02 Pxc 0.4280131E+01 Qxc -0.3334640E+01 3,+1 71 3 -1 -2.959527 2.013471 0.845211 Rho 0.1300907E+00 |GRAD(Rho)| 0.2325630E-15 GRAD(Rho)x -0.1832912E-15 GRAD(Rho)y -0.1091182E-15 GRAD(Rho)z 0.9264508E-16 Laplacian 0.5111954E+00 (-1/4)Del**2(Rho)) -0.1277988E+00 Diamond 0.8772310E+00 Metallicity 0.4502325E+01 Ellipticity 0.2335772E-01 Gb(Abramov) 0.1810979E+00 Vb(Abramov) -0.2343969E+00 Hb(Abramov) -0.5329903E-01 Ex_ueg -0.4868332E-01 Ec_ueg -0.7181493E-02 Delta_ex -0.5307718E-01 Delta_ec 0.1351780E-01 Delta_et -0.1762909E+00 Pxc 0.6778997E+01 Qxc -0.3926467E+01 3,-1 72 3 +1 -0.524883 1.656435 -0.535391 Rho 0.9141634E-02 |GRAD(Rho)| 0.5126963E-15 GRAD(Rho)x 0.5153092E-16 GRAD(Rho)y 0.2436194E-15 GRAD(Rho)z -0.4481648E-15 Laplacian 0.3530919E-01 (-1/4)Del**2(Rho)) -0.8827298E-02 Diamond 0.1029720E-02 Metallicity 0.7800069E+00 Ellipticity -0.1487096E+01 Gb(Abramov) 0.7032424E-02 Vb(Abramov) -0.5237550E-02 Hb(Abramov) 0.1794874E-02 Ex_ueg -0.1411725E-02 Ec_ueg -0.3292790E-03 Delta_ex -0.1639404E-02 Delta_ec 0.4988905E-03 Delta_et -0.3462138E-02 Pxc 0.4287323E+01 Qxc -0.3286100E+01 3,+1 73 3 -1 -2.978588 -2.015136 -0.846067 Rho 0.1377294E+00 |GRAD(Rho)| 0.2101848E-15 GRAD(Rho)x 0.1706263E-15 GRAD(Rho)y -0.1138683E-15 GRAD(Rho)z 0.4580754E-16 Laplacian 0.5423675E+00 (-1/4)Del**2(Rho)) -0.1355919E+00 Diamond 0.9965073E+00 Metallicity 0.4666921E+01 Ellipticity 0.2904451E-01 Gb(Abramov) 0.1958607E+00 Vb(Abramov) -0.2561295E+00 Hb(Abramov) -0.6026881E-01 Ex_ueg -0.5253158E-01 Ec_ueg -0.7662706E-02 Delta_ex -0.5709292E-01 Delta_ec 0.1414191E-01 Delta_et -0.1861031E+00 Pxc 0.6855487E+01 Qxc -0.4037143E+01 3,-1 74 3 -1 -2.761051 -1.830119 0.552838 Rho 0.1335521E+00 |GRAD(Rho)| 0.1464870E-14 GRAD(Rho)x 0.1459133E-15 GRAD(Rho)y -0.1122678E-14 GRAD(Rho)z -0.9295949E-15 Laplacian 0.5619167E+00 (-1/4)Del**2(Rho)) -0.1404792E+00 Diamond 0.9932749E+00 Metallicity 0.4279166E+01 Ellipticity 0.1095235E-01 Gb(Abramov) 0.1938417E+00 Vb(Abramov) -0.2472043E+00 Hb(Abramov) -0.5336257E-01 Ex_ueg -0.5041805E-01 Ec_ueg -0.7399079E-02 Delta_ex -0.5869210E-01 Delta_ec 0.1472652E-01 Delta_et -0.1927949E+00 Pxc 0.6814098E+01 Qxc -0.3985469E+01 3,-1 75 3 +1 -1.737413 1.739724 -1.749113 Rho 0.1216094E-01 |GRAD(Rho)| 0.1402212E-16 GRAD(Rho)x -0.8931322E-17 GRAD(Rho)y -0.1070108E-16 GRAD(Rho)z 0.1529130E-17 Laplacian 0.6127474E-01 (-1/4)Del**2(Rho)) -0.1531869E-01 Diamond 0.2496151E-02 Metallicity 0.7232311E+00 Ellipticity -0.1249372E+01 Gb(Abramov) 0.1205895E-01 Vb(Abramov) -0.8799212E-02 Hb(Abramov) 0.3259737E-02 Ex_ueg -0.2065419E-02 Ec_ueg -0.4670038E-03 Delta_ex -0.3021279E-02 Delta_ec 0.7931075E-03 Delta_et -0.5968090E-02 Pxc 0.4422702E+01 Qxc -0.3809420E+01 3,+1 76 3 -1 -2.747177 1.823311 -0.553280 Rho 0.1319629E+00 |GRAD(Rho)| 0.2394870E-15 GRAD(Rho)x 0.8433060E-16 GRAD(Rho)y 0.1169177E-15 GRAD(Rho)z 0.1912397E-15 Laplacian 0.5543993E+00 (-1/4)Del**2(Rho)) -0.1385998E+00 Diamond 0.9667794E+00 Metallicity 0.4251512E+01 Ellipticity 0.1126570E-01 Gb(Abramov) 0.1906097E+00 Vb(Abramov) -0.2426195E+00 Hb(Abramov) -0.5200986E-01 Ex_ueg -0.4961969E-01 Ec_ueg -0.7299080E-02 Delta_ex -0.5774899E-01 Delta_ec 0.1458787E-01 Delta_et -0.1906459E+00 Pxc 0.6798075E+01 Qxc -0.3958698E+01 3,-1 77 3 +3 -2.320437 -0.012486 -0.002141 Rho 0.4801981E-02 |GRAD(Rho)| 0.2584304E-17 GRAD(Rho)x 0.2160397E-17 GRAD(Rho)y -0.9565628E-18 GRAD(Rho)z -0.1047045E-17 Laplacian 0.1967964E-01 (-1/4)Del**2(Rho)) -0.4919910E-02 Diamond 0.1837119E-03 Metallicity 0.4785898E+00 Ellipticity -0.2690536E+00 Gb(Abramov) 0.3672376E-02 Vb(Abramov) -0.2424843E-02 Hb(Abramov) 0.1247533E-02 Ex_ueg -0.5983367E-03 Ec_ueg -0.1384012E-03 Delta_ex -0.7249477E-03 Delta_ec 0.1806118E-03 Delta_et -0.1147315E-02 Pxc 0.4323204E+01 Qxc -0.4013844E+01 3,+3 78 3 -1 -2.796910 -0.573742 1.778651 Rho 0.1485094E+00 |GRAD(Rho)| 0.2861481E-13 GRAD(Rho)x -0.1936746E-13 GRAD(Rho)y -0.3149878E-15 GRAD(Rho)z -0.2106204E-13 Laplacian 0.6268183E+00 (-1/4)Del**2(Rho)) -0.1567046E+00 Diamond 0.1252224E+01 Metallicity 0.4578553E+01 Ellipticity 0.1216747E-01 Gb(Abramov) 0.2240498E+00 Vb(Abramov) -0.2913949E+00 Hb(Abramov) -0.6734518E-01 Ex_ueg -0.5808408E-01 Ec_ueg -0.8348165E-02 Delta_ex -0.6712039E-01 Delta_ec 0.1589141E-01 Delta_et -0.2111326E+00 Pxc 0.6957707E+01 Qxc -0.4223691E+01 3,-1 79 3 +1 -1.667451 -0.538041 0.521600 Rho 0.8862171E-02 |GRAD(Rho)| 0.9083320E-17 GRAD(Rho)x -0.8098581E-17 GRAD(Rho)y -0.3682426E-17 GRAD(Rho)z -0.1832873E-17 Laplacian 0.3473615E-01 (-1/4)Del**2(Rho)) -0.8684038E-02 Diamond 0.9585401E-03 Metallicity 0.7528902E+00 Ellipticity -0.1441046E+01 Gb(Abramov) 0.6879046E-02 Vb(Abramov) -0.5074055E-02 Hb(Abramov) 0.1804991E-02 Ex_ueg -0.1354478E-02 Ec_ueg -0.3167256E-03 Delta_ex -0.1594729E-02 Delta_ec 0.4811531E-03 Delta_et -0.3320276E-02 Pxc 0.4276503E+01 Qxc -0.3314390E+01 3,+1 80 3 +3 0.013284 2.325119 0.020301 Rho 0.4668439E-02 |GRAD(Rho)| 0.2351303E-17 GRAD(Rho)x 0.1017772E-17 GRAD(Rho)y 0.1632751E-17 GRAD(Rho)z 0.1351625E-17 Laplacian 0.1893655E-01 (-1/4)Del**2(Rho)) -0.4734138E-02 Diamond 0.1731785E-03 Metallicity 0.4745315E+00 Ellipticity -0.3425733E+00 Gb(Abramov) 0.3530508E-02 Vb(Abramov) -0.2326878E-02 Hb(Abramov) 0.1203630E-02 Ex_ueg -0.5762540E-03 Ec_ueg -0.1326724E-03 Delta_ex -0.6956468E-03 Delta_ec 0.1793268E-03 Delta_et -0.1123777E-02 Pxc 0.4343436E+01 Qxc -0.3879212E+01 3,+3 81 3 -1 -0.574937 1.777678 -2.816723 Rho 0.1372305E+00 |GRAD(Rho)| 0.1038755E-11 GRAD(Rho)x -0.6977020E-12 GRAD(Rho)y -0.7448839E-12 GRAD(Rho)z -0.1933186E-12 Laplacian 0.5787115E+00 (-1/4)Del**2(Rho)) -0.1446779E+00 Diamond 0.1037893E+01 Metallicity 0.4347458E+01 Ellipticity 0.1904613E-01 Gb(Abramov) 0.2012821E+00 Vb(Abramov) -0.2578863E+00 Hb(Abramov) -0.5660420E-01 Ex_ueg -0.5227803E-01 Ec_ueg -0.7631162E-02 Delta_ex -0.6063220E-01 Delta_ec 0.1468698E-01 Delta_et -0.1923316E+00 Pxc 0.6850599E+01 Qxc -0.4128296E+01 3,-1 82 3 -1 -1.960224 -3.005878 -0.863752 Rho 0.1498547E+00 |GRAD(Rho)| 0.2740949E-15 GRAD(Rho)x -0.2234947E-15 GRAD(Rho)y 0.1540651E-15 GRAD(Rho)z 0.3797418E-16 Laplacian 0.5902010E+00 (-1/4)Del**2(Rho)) -0.1475503E+00 Diamond 0.1196881E+01 Metallicity 0.4936251E+01 Ellipticity 0.4476903E-01 Gb(Abramov) 0.2197577E+00 Vb(Abramov) -0.2919651E+00 Hb(Abramov) -0.7220744E-01 Ex_ueg -0.5878669E-01 Ec_ueg -0.8434215E-02 Delta_ex -0.6338917E-01 Delta_ec 0.1501806E-01 Delta_et -0.1999846E+00 Pxc 0.6970025E+01 Qxc -0.4220862E+01 3,-1 83 3 -1 -1.778594 -2.787393 0.566930 Rho 0.1450520E+00 |GRAD(Rho)| 0.5521012E-15 GRAD(Rho)x 0.1194520E-15 GRAD(Rho)y 0.2385245E-16 GRAD(Rho)z 0.5384961E-15 Laplacian 0.6115213E+00 (-1/4)Del**2(Rho)) -0.1528803E+00 Diamond 0.1188653E+01 Metallicity 0.4512401E+01 Ellipticity 0.1018341E-01 Gb(Abramov) 0.2168964E+00 Vb(Abramov) -0.2809125E+00 Hb(Abramov) -0.6401611E-01 Ex_ueg -0.5628810E-01 Ec_ueg -0.8127525E-02 Delta_ex -0.6511628E-01 Delta_ec 0.1561405E-01 Delta_et -0.2067986E+00 Pxc 0.6925614E+01 Qxc -0.4170364E+01 3,-1 84 3 +3 1.090736 1.145001 1.110162 Rho 0.5206319E-02 |GRAD(Rho)| 0.7587052E-17 GRAD(Rho)x -0.6118683E-17 GRAD(Rho)y -0.3242978E-17 GRAD(Rho)z 0.3099705E-17 Laplacian 0.2009613E-01 (-1/4)Del**2(Rho)) -0.5024033E-02 Diamond 0.1466537E-03 Metallicity 0.5362723E+00 Ellipticity -0.3086667E-01 Gb(Abramov) 0.3798397E-02 Vb(Abramov) -0.2572761E-02 Hb(Abramov) 0.1225636E-02 Ex_ueg -0.6664375E-03 Ec_ueg -0.1558023E-03 Delta_ex -0.7006777E-03 Delta_ec 0.8588548E-04 Delta_et -0.6922175E-03 Pxc 0.4277455E+01 Qxc -0.8158279E+01 3,+3 85 3 -1 -1.711081 -1.743254 -0.537256 Rho 0.4716808E-01 |GRAD(Rho)| 0.9901608E-16 GRAD(Rho)x -0.7001574E-16 GRAD(Rho)y -0.5723486E-16 GRAD(Rho)z 0.4032554E-16 Laplacian 0.1924502E+00 (-1/4)Del**2(Rho)) -0.4811256E-01 Diamond 0.8905503E-01 Metallicity 0.2204830E+01 Ellipticity 0.1376377E-01 Gb(Abramov) 0.4975504E-01 Vb(Abramov) -0.5139752E-01 Hb(Abramov) -0.1642481E-02 Ex_ueg -0.1258682E-01 Ec_ueg -0.2258944E-02 Delta_ex -0.1556089E-01 Delta_ec 0.5647829E-02 Delta_et -0.5863037E-01 Pxc 0.5571992E+01 Qxc -0.2755198E+01 3,-1 86 3 -1 -1.703275 1.741882 0.531636 Rho 0.4922858E-01 |GRAD(Rho)| 0.3176876E-14 GRAD(Rho)x -0.2008390E-14 GRAD(Rho)y 0.2232131E-14 GRAD(Rho)z -0.1037547E-14 Laplacian 0.2012015E+00 (-1/4)Del**2(Rho)) -0.5030037E-01 Diamond 0.9903039E-01 Metallicity 0.2264701E+01 Ellipticity 0.1130046E-01 Gb(Abramov) 0.5251946E-01 Vb(Abramov) -0.5473856E-01 Hb(Abramov) -0.2219096E-02 Ex_ueg -0.1332523E-01 Ec_ueg -0.2372277E-02 Delta_ex -0.1646016E-01 Delta_ec 0.5930428E-02 Delta_et -0.6226379E-01 Pxc 0.5617064E+01 Qxc -0.2775543E+01 3,-1 87 3 +3 1.137853 -1.113847 -1.087129 Rho 0.5132456E-02 |GRAD(Rho)| 0.4986243E-17 GRAD(Rho)x 0.2999863E-17 GRAD(Rho)y -0.3960964E-17 GRAD(Rho)z -0.4173705E-18 Laplacian 0.1984983E-01 (-1/4)Del**2(Rho)) -0.4962458E-02 Diamond 0.1432692E-03 Metallicity 0.5301494E+00 Ellipticity -0.2286773E-01 Gb(Abramov) 0.3746780E-02 Vb(Abramov) -0.2531101E-02 Hb(Abramov) 0.1215679E-02 Ex_ueg -0.6538608E-03 Ec_ueg -0.1526173E-03 Delta_ex -0.6904354E-03 Delta_ec 0.8679183E-04 Delta_et -0.6920419E-03 Pxc 0.4284315E+01 Qxc -0.7955074E+01 3,+3 88 3 +1 -0.151540 2.901890 0.179180 Rho 0.5357645E-02 |GRAD(Rho)| 0.1393284E-15 GRAD(Rho)x -0.1078039E-15 GRAD(Rho)y 0.5646618E-17 GRAD(Rho)z 0.8808415E-16 Laplacian 0.2194916E-01 (-1/4)Del**2(Rho)) -0.5487289E-02 Diamond 0.5465683E-03 Metallicity 0.5150135E+00 Ellipticity -0.2963527E+01 Gb(Abramov) 0.4129197E-02 Vb(Abramov) -0.2771106E-02 Hb(Abramov) 0.1358092E-02 Ex_ueg -0.6923893E-03 Ec_ueg -0.1623361E-03 Delta_ex -0.1093211E-02 Delta_ec 0.6683107E-03 Delta_et -0.3714686E-02 Pxc 0.4265160E+01 Qxc -0.1635782E+01 3,+1 89 3 -1 -1.762129 2.785446 -0.570058 Rho 0.1555956E+00 |GRAD(Rho)| 0.2007299E-15 GRAD(Rho)x 0.5732719E-16 GRAD(Rho)y 0.5766600E-17 GRAD(Rho)z -0.1922833E-15 Laplacian 0.6526213E+00 (-1/4)Del**2(Rho)) -0.1631553E+00 Diamond 0.1373380E+01 Metallicity 0.4752779E+01 Ellipticity 0.1628692E-01 Gb(Abramov) 0.2380104E+00 Vb(Abramov) -0.3128655E+00 Hb(Abramov) -0.7485509E-01 Ex_ueg -0.6180851E-01 Ec_ueg -0.8802672E-02 Delta_ex -0.7063886E-01 Delta_ec 0.1626152E-01 Delta_et -0.2171976E+00 Pxc 0.7021562E+01 Qxc -0.4343929E+01 3,-1 90 3 -1 -1.753446 0.530048 1.707596 Rho 0.4813208E-01 |GRAD(Rho)| 0.1430303E-15 GRAD(Rho)x 0.1150715E-15 GRAD(Rho)y 0.2999661E-16 GRAD(Rho)z -0.7947583E-16 Laplacian 0.1965387E+00 (-1/4)Del**2(Rho)) -0.4913468E-01 Diamond 0.9368938E-01 Metallicity 0.2233004E+01 Ellipticity 0.1689437E-01 Gb(Abramov) 0.5104277E-01 Vb(Abramov) -0.5295086E-01 Hb(Abramov) -0.1908092E-02 Ex_ueg -0.1293097E-01 Ec_ueg -0.2311885E-02 Delta_ex -0.1598193E-01 Delta_ec 0.5783595E-02 Delta_et -0.6036305E-01 Pxc 0.5593259E+01 Qxc -0.2763321E+01 3,-1 91 3 -1 -1.952180 3.008803 0.868617 Rho 0.1478147E+00 |GRAD(Rho)| 0.5242734E-15 GRAD(Rho)x 0.6717988E-16 GRAD(Rho)y -0.2854298E-15 GRAD(Rho)z -0.4346024E-15 Laplacian 0.5800305E+00 (-1/4)Del**2(Rho)) -0.1450076E+00 Diamond 0.1159771E+01 Metallicity 0.4909360E+01 Ellipticity 0.4492904E-01 Gb(Abramov) 0.2153209E+00 Vb(Abramov) -0.2856341E+00 Hb(Abramov) -0.7031324E-01 Ex_ueg -0.5772206E-01 Ec_ueg -0.8303769E-02 Delta_ex -0.6211526E-01 Delta_ec 0.1485880E-01 Delta_et -0.1975926E+00 Pxc 0.6951308E+01 Qxc -0.4180369E+01 3,-1 92 3 +1 -1.055375 2.156819 1.419814 Rho 0.2770416E-01 |GRAD(Rho)| 0.1137870E-14 GRAD(Rho)x 0.6768970E-15 GRAD(Rho)y 0.4387642E-15 GRAD(Rho)z -0.8025240E-15 Laplacian 0.1109692E+00 (-1/4)Del**2(Rho)) -0.2774230E-01 Diamond 0.1606212E-01 Metallicity 0.1575140E+01 Ellipticity -0.3165762E+01 Gb(Abramov) 0.2577787E-01 Vb(Abramov) -0.2381343E-01 Hb(Abramov) 0.1964434E-02 Ex_ueg -0.6191251E-02 Ec_ueg -0.1225805E-02 Delta_ex -0.7032091E-02 Delta_ec 0.1772038E-02 Delta_et -0.1605384E-01 Pxc 0.5050763E+01 Qxc -0.3968364E+01 3,+1 93 3 -1 -2.025734 -0.847485 -2.972537 Rho 0.1362808E+00 |GRAD(Rho)| 0.2974900E-15 GRAD(Rho)x 0.1751122E-15 GRAD(Rho)y 0.6334451E-16 GRAD(Rho)z -0.2319989E-15 Laplacian 0.5364319E+00 (-1/4)Del**2(Rho)) -0.1341080E+00 Diamond 0.9724174E+00 Metallicity 0.4636137E+01 Ellipticity 0.2919557E-01 Gb(Abramov) 0.1930291E+00 Vb(Abramov) -0.2519503E+00 Hb(Abramov) -0.5892116E-01 Ex_ueg -0.5179620E-01 Ec_ueg -0.7571157E-02 Delta_ex -0.5631508E-01 Delta_ec 0.1400787E-01 Delta_et -0.1840063E+00 Pxc 0.6841252E+01 Qxc -0.4020247E+01 3,-1 94 3 +1 -2.173936 -1.258166 -1.195168 Rho 0.2891400E-01 |GRAD(Rho)| 0.8076012E-17 GRAD(Rho)x -0.7041030E-17 GRAD(Rho)y -0.2016673E-17 GRAD(Rho)z -0.3402777E-17 Laplacian 0.1182173E+00 (-1/4)Del**2(Rho)) -0.2955433E-01 Diamond 0.2043711E-01 Metallicity 0.1587738E+01 Ellipticity -0.8146544E+01 Gb(Abramov) 0.2752364E-01 Vb(Abramov) -0.2549296E-01 Hb(Abramov) 0.2030686E-02 Ex_ueg -0.6554344E-02 Ec_ueg -0.1287727E-02 Delta_ex -0.7783406E-02 Delta_ec 0.2252969E-02 Delta_et -0.2056884E-01 Pxc 0.5089855E+01 Qxc -0.3454733E+01 3,+1 95 3 +1 -0.132455 -2.893552 -0.143354 Rho 0.5380227E-02 |GRAD(Rho)| 0.2596308E-17 GRAD(Rho)x -0.1587136E-17 GRAD(Rho)y 0.2712904E-18 GRAD(Rho)z 0.2036718E-17 Laplacian 0.2203569E-01 (-1/4)Del**2(Rho)) -0.5508922E-02 Diamond 0.5704193E-03 Metallicity 0.5165999E+00 Ellipticity -0.3823937E+01 Gb(Abramov) 0.4146933E-02 Vb(Abramov) -0.2784943E-02 Hb(Abramov) 0.1361989E-02 Ex_ueg -0.6962832E-03 Ec_ueg -0.1633121E-03 Delta_ex -0.1114081E-02 Delta_ec 0.6988850E-03 Delta_et -0.3877933E-02 Pxc 0.4263514E+01 Qxc -0.1594083E+01 3,+1 96 3 -1 -1.831821 -0.550516 2.758404 Rho 0.1343417E+00 |GRAD(Rho)| 0.3186459E-15 GRAD(Rho)x -0.1140310E-15 GRAD(Rho)y 0.2942796E-15 GRAD(Rho)z -0.4395085E-16 Laplacian 0.5652506E+00 (-1/4)Del**2(Rho)) -0.1413127E+00 Diamond 0.1006108E+01 Metallicity 0.4295925E+01 Ellipticity 0.9464729E-02 Gb(Abramov) 0.1953865E+00 Vb(Abramov) -0.2494604E+00 Hb(Abramov) -0.5407388E-01 Ex_ueg -0.5081587E-01 Ec_ueg -0.7448822E-02 Delta_ex -0.5912270E-01 Delta_ec 0.1478961E-01 Delta_et -0.1937953E+00 Pxc 0.6822002E+01 Qxc -0.3997584E+01 3,-1 97 3 -1 -1.845232 0.553360 -2.767683 Rho 0.1357454E+00 |GRAD(Rho)| 0.1716433E-12 GRAD(Rho)x -0.1294526E-12 GRAD(Rho)y -0.1088152E-12 GRAD(Rho)z 0.2937188E-13 Laplacian 0.5684725E+00 (-1/4)Del**2(Rho)) -0.1421181E+00 Diamond 0.1025009E+01 Metallicity 0.4346224E+01 Ellipticity 0.1084671E-01 Gb(Abramov) 0.1976916E+00 Vb(Abramov) -0.2532651E+00 Hb(Abramov) -0.5557349E-01 Ex_ueg -0.5152505E-01 Ec_ueg -0.7537355E-02 Delta_ex -0.5961468E-01 Delta_ec 0.1484587E-01 Delta_et -0.1948690E+00 Pxc 0.6835959E+01 Qxc -0.4015572E+01 3,-1 98 3 -1 -2.023332 0.844163 2.980850 Rho 0.1326342E+00 |GRAD(Rho)| 0.1972221E-15 GRAD(Rho)x -0.4971067E-16 GRAD(Rho)y 0.1654899E-15 GRAD(Rho)z -0.9507098E-16 Laplacian 0.5212555E+00 (-1/4)Del**2(Rho)) -0.1303139E+00 Diamond 0.9174711E+00 Metallicity 0.4560249E+01 Ellipticity 0.2545241E-01 Gb(Abramov) 0.1859198E+00 Vb(Abramov) -0.2415258E+00 Hb(Abramov) -0.5560598E-01 Ex_ueg -0.4995656E-01 Ec_ueg -0.7341303E-02 Delta_ex -0.5439751E-01 Delta_ec 0.1376051E-01 Delta_et -0.1800974E+00 Pxc 0.6804863E+01 Qxc -0.3953161E+01 3,-1 99 3 +1 -1.162267 -2.165571 -1.289452 Rho 0.2932199E-01 |GRAD(Rho)| 0.8178619E-10 GRAD(Rho)x -0.4931425E-10 GRAD(Rho)y 0.1913681E-10 GRAD(Rho)z 0.6237682E-10 Laplacian 0.1201064E+00 (-1/4)Del**2(Rho)) -0.3002661E-01 Diamond 0.2103285E-01 Metallicity 0.1599691E+01 Ellipticity -0.7658109E+01 Gb(Abramov) 0.2802329E-01 Vb(Abramov) -0.2601996E-01 Hb(Abramov) 0.2003323E-02 Ex_ueg -0.6677947E-02 Ec_ueg -0.1308688E-02 Delta_ex -0.7925361E-02 Delta_ec 0.2267853E-02 Delta_et -0.2077896E-01 Pxc 0.5102781E+01 Qxc -0.3494655E+01 3,+1 100 3 +1 0.183874 -2.891216 0.174320 Rho 0.5333324E-02 |GRAD(Rho)| 0.1224827E-16 GRAD(Rho)x 0.3288755E-17 GRAD(Rho)y 0.8685927E-17 GRAD(Rho)z 0.7984911E-17 Laplacian 0.2217324E-01 (-1/4)Del**2(Rho)) -0.5543310E-02 Diamond 0.5344252E-03 Metallicity 0.5059574E+00 Ellipticity -0.2444363E+01 Gb(Abramov) 0.4162987E-02 Vb(Abramov) -0.2782663E-02 Hb(Abramov) 0.1380324E-02 Ex_ueg -0.6882016E-03 Ec_ueg -0.1612852E-03 Delta_ex -0.1091152E-02 Delta_ec 0.6532987E-03 Delta_et -0.3635370E-02 Pxc 0.4266986E+01 Qxc -0.1670219E+01 3,+1 101 3 +3 0.011564 -2.318739 -0.004390 Rho 0.4684174E-02 |GRAD(Rho)| 0.6090763E-17 GRAD(Rho)x 0.4616324E-17 GRAD(Rho)y -0.2984911E-17 GRAD(Rho)z -0.2622452E-17 Laplacian 0.1919865E-01 (-1/4)Del**2(Rho)) -0.4799664E-02 Diamond 0.1757967E-03 Metallicity 0.4706854E+00 Ellipticity -0.2892338E+00 Gb(Abramov) 0.3576298E-02 Vb(Abramov) -0.2352932E-02 Hb(Abramov) 0.1223366E-02 Ex_ueg -0.5788451E-03 Ec_ueg -0.1333469E-03 Delta_ex -0.7052906E-03 Delta_ec 0.1807552E-03 Delta_et -0.1135074E-02 Pxc 0.4340896E+01 Qxc -0.3901911E+01 3,+3 102 3 -1 -0.010875 2.905279 0.033139 Rho 0.5383078E-02 |GRAD(Rho)| 0.2817297E-15 GRAD(Rho)x 0.1397684E-15 GRAD(Rho)y -0.8315651E-16 GRAD(Rho)z 0.2300466E-15 Laplacian 0.2148976E-01 (-1/4)Del**2(Rho)) -0.5372441E-02 Diamond 0.6399845E-03 Metallicity 0.5301914E+00 Ellipticity 0.2672783E+01 Gb(Abramov) 0.4056364E-02 Vb(Abramov) -0.2740287E-02 Hb(Abramov) 0.1316077E-02 Ex_ueg -0.6967751E-03 Ec_ueg -0.1634353E-03 Delta_ex -0.1156691E-02 Delta_ec 0.8067260E-03 Delta_et -0.4427232E-02 Pxc 0.4263309E+01 Qxc -0.1433809E+01 3,-1 103 3 +1 -0.532310 -1.655340 0.525783 Rho 0.8956325E-02 |GRAD(Rho)| 0.2211262E-14 GRAD(Rho)x 0.1676409E-14 GRAD(Rho)y 0.1423975E-14 GRAD(Rho)z -0.2272204E-15 Laplacian 0.3508216E-01 (-1/4)Del**2(Rho)) -0.8770540E-02 Diamond 0.9824539E-03 Metallicity 0.7587113E+00 Ellipticity -0.1446653E+01 Gb(Abramov) 0.6956078E-02 Vb(Abramov) -0.5141616E-02 Hb(Abramov) 0.1814462E-02 Ex_ueg -0.1373699E-02 Ec_ueg -0.3209511E-03 Delta_ex -0.1615087E-02 Delta_ec 0.4861828E-03 Delta_et -0.3363860E-02 Pxc 0.4280087E+01 Qxc -0.3321975E+01 3,+1 104 3 -1 -0.870570 -1.956162 -3.009375 Rho 0.1465413E+00 |GRAD(Rho)| 0.4091898E-15 GRAD(Rho)x -0.3003376E-15 GRAD(Rho)y 0.2778946E-15 GRAD(Rho)z -0.2873136E-17 Laplacian 0.5772636E+00 (-1/4)Del**2(Rho)) -0.1443159E+00 Diamond 0.1140848E+01 Metallicity 0.4862268E+01 Ellipticity 0.4179448E-01 Gb(Abramov) 0.2131610E+00 Vb(Abramov) -0.2820062E+00 Hb(Abramov) -0.6884513E-01 Ex_ueg -0.5705998E-01 Ec_ueg -0.8222474E-02 Delta_ex -0.6167313E-01 Delta_ec 0.1479275E-01 Delta_et -0.1964104E+00 Pxc 0.6939515E+01 Qxc -0.4169146E+01 3,-1 105 3 +1 -1.293864 -1.165481 -2.169766 Rho 0.2914936E-01 |GRAD(Rho)| 0.6421704E-16 GRAD(Rho)x -0.5908011E-16 GRAD(Rho)y 0.1726004E-16 GRAD(Rho)z 0.1831559E-16 Laplacian 0.1190588E+00 (-1/4)Del**2(Rho)) -0.2976469E-01 Diamond 0.2064371E-01 Metallicity 0.1597964E+01 Ellipticity -0.7504832E+01 Gb(Abramov) 0.2777027E-01 Vb(Abramov) -0.2577586E-01 Hb(Abramov) 0.1994415E-02 Ex_ueg -0.6625578E-02 Ec_ueg -0.1299814E-02 Delta_ex -0.7840649E-02 Delta_ec 0.2242214E-02 Delta_et -0.2051465E-01 Pxc 0.5097327E+01 Qxc -0.3496834E+01 3,+1 106 3 -1 -0.872118 1.967595 3.031752 Rho 0.1411448E+00 |GRAD(Rho)| 0.1757171E-15 GRAD(Rho)x 0.1244529E-15 GRAD(Rho)y -0.5954980E-16 GRAD(Rho)z 0.1088200E-15 Laplacian 0.5537643E+00 (-1/4)Del**2(Rho)) -0.1384411E+00 Diamond 0.1033375E+01 Metallicity 0.4761347E+01 Ellipticity 0.5935716E-01 Gb(Abramov) 0.2021550E+00 Vb(Abramov) -0.2658690E+00 Hb(Abramov) -0.6371397E-01 Ex_ueg -0.5427565E-01 Ec_ueg -0.7879088E-02 Delta_ex -0.5848457E-01 Delta_ec 0.1407466E-01 Delta_et -0.1853280E+00 Pxc 0.6888570E+01 Qxc -0.4155310E+01 3,-1 107 3 -1 -0.844384 2.969546 2.040304 Rho 0.1251676E+00 |GRAD(Rho)| 0.8878209E-14 GRAD(Rho)x -0.1098988E-14 GRAD(Rho)y -0.7623107E-14 GRAD(Rho)z -0.4416226E-14 Laplacian 0.4874766E+00 (-1/4)Del**2(Rho)) -0.1218692E+00 Diamond 0.7886762E+00 Metallicity 0.4427374E+01 Ellipticity 0.3930602E-01 Gb(Abramov) 0.1711728E+00 Vb(Abramov) -0.2204765E+00 Hb(Abramov) -0.4930367E-01 Ex_ueg -0.4624249E-01 Ec_ueg -0.6873395E-02 Delta_ex -0.5002155E-01 Delta_ec 0.1278357E-01 Delta_et -0.1652545E+00 Pxc 0.6727750E+01 Qxc -0.3912956E+01 3,-1 108 3 +1 -0.535772 0.545490 -1.675316 Rho 0.8611801E-02 |GRAD(Rho)| 0.9144561E-16 GRAD(Rho)x -0.4592061E-16 GRAD(Rho)y -0.7594903E-16 GRAD(Rho)z 0.2203044E-16 Laplacian 0.3326505E-01 (-1/4)Del**2(Rho)) -0.8316261E-02 Diamond 0.8985871E-03 Metallicity 0.7495173E+00 Ellipticity -0.1466071E+01 Gb(Abramov) 0.6583038E-02 Vb(Abramov) -0.4849814E-02 Hb(Abramov) 0.1733224E-02 Ex_ueg -0.1303698E-02 Ec_ueg -0.3055082E-03 Delta_ex -0.1523221E-02 Delta_ec 0.4734787E-03 Delta_et -0.3232974E-02 Pxc 0.4267310E+01 Qxc -0.3217084E+01 3,+1 109 3 +1 0.526477 1.681727 0.555222 Rho 0.8466118E-02 |GRAD(Rho)| 0.4861544E-17 GRAD(Rho)x -0.9564541E-18 GRAD(Rho)y -0.1737046E-17 GRAD(Rho)z -0.4438747E-17 Laplacian 0.3247152E-01 (-1/4)Del**2(Rho)) -0.8117880E-02 Diamond 0.8710394E-03 Metallicity 0.7463074E+00 Ellipticity -0.1486696E+01 Gb(Abramov) 0.6421659E-02 Vb(Abramov) -0.4725438E-02 Hb(Abramov) 0.1696221E-02 Ex_ueg -0.1274376E-02 Ec_ueg -0.2989939E-03 Delta_ex -0.1486955E-02 Delta_ec 0.4737202E-03 Delta_et -0.3211105E-02 Pxc 0.4262214E+01 Qxc -0.3138889E+01 3,+1 110 3 +1 1.657111 0.535443 0.526407 Rho 0.9141837E-02 |GRAD(Rho)| 0.3118846E-16 GRAD(Rho)x 0.2371306E-16 GRAD(Rho)y 0.1881038E-17 GRAD(Rho)z 0.2017108E-16 Laplacian 0.3531145E-01 (-1/4)Del**2(Rho)) -0.8827864E-02 Diamond 0.1027434E-02 Metallicity 0.7799857E+00 Ellipticity -0.1484153E+01 Gb(Abramov) 0.7032844E-02 Vb(Abramov) -0.5237824E-02 Hb(Abramov) 0.1795020E-02 Ex_ueg -0.1411767E-02 Ec_ueg -0.3292881E-03 Delta_ex -0.1638529E-02 Delta_ec 0.4971555E-03 Delta_et -0.3451519E-02 Pxc 0.4287331E+01 Qxc -0.3295808E+01 3,+1 111 3 -1 -0.021778 -2.896542 -0.032014 Rho 0.5391414E-02 |GRAD(Rho)| 0.4744861E-17 GRAD(Rho)x 0.4307343E-17 GRAD(Rho)y 0.1150466E-17 GRAD(Rho)z -0.1623864E-17 Laplacian 0.2169117E-01 (-1/4)Del**2(Rho)) -0.5422791E-02 Diamond 0.6399767E-03 Metallicity 0.5266250E+00 Ellipticity 0.3730194E+01 Gb(Abramov) 0.4091157E-02 Vb(Abramov) -0.2759523E-02 Hb(Abramov) 0.1331634E-02 Ex_ueg -0.6982142E-03 Ec_ueg -0.1637957E-03 Delta_ex -0.1161689E-02 Delta_ec 0.8032664E-03 Delta_et -0.4414030E-02 Pxc 0.4262715E+01 Qxc -0.1446207E+01 3,-1 112 3 +1 2.899495 0.179742 -0.199588 Rho 0.5276079E-02 |GRAD(Rho)| 0.9136122E-17 GRAD(Rho)x -0.7338645E-18 GRAD(Rho)y -0.6681174E-17 GRAD(Rho)z -0.6188058E-17 Laplacian 0.2180803E-01 (-1/4)Del**2(Rho)) -0.5452007E-02 Diamond 0.5073252E-03 Metallicity 0.5052608E+00 Ellipticity -0.2273007E+01 Gb(Abramov) 0.4093786E-02 Vb(Abramov) -0.2735564E-02 Hb(Abramov) 0.1358222E-02 Ex_ueg -0.6783703E-03 Ec_ueg -0.1588129E-03 Delta_ex -0.1061609E-02 Delta_ec 0.6259932E-03 Delta_et -0.3479351E-02 Pxc 0.4271506E+01 Qxc -0.1695879E+01 3,+1 113 3 -1 -0.839718 -2.962644 -2.011681 Rho 0.1315163E+00 |GRAD(Rho)| 0.2273463E-15 GRAD(Rho)x 0.1231518E-15 GRAD(Rho)y 0.1904808E-15 GRAD(Rho)z 0.1539567E-16 Laplacian 0.5172044E+00 (-1/4)Del**2(Rho)) -0.1293011E+00 Diamond 0.8981074E+00 Metallicity 0.4531586E+01 Ellipticity 0.2472669E-01 Gb(Abramov) 0.1838573E+00 Vb(Abramov) -0.2384134E+00 Hb(Abramov) -0.5455614E-01 Ex_ueg -0.4939593E-01 Ec_ueg -0.7271011E-02 Delta_ex -0.5382883E-01 Delta_ec 0.1361714E-01 Delta_et -0.1778565E+00 Pxc 0.6793544E+01 Qxc -0.3953020E+01 3,-1 114 3 -1 -0.545701 1.713024 1.769816 Rho 0.4165875E-01 |GRAD(Rho)| 0.4848019E-13 GRAD(Rho)x 0.1328911E-13 GRAD(Rho)y 0.2857872E-13 GRAD(Rho)z 0.3683728E-13 Laplacian 0.1759098E+00 (-1/4)Del**2(Rho)) -0.4397744E-01 Diamond 0.7096808E-01 Metallicity 0.1961102E+01 Ellipticity 0.8459612E-02 Gb(Abramov) 0.4369234E-01 Vb(Abramov) -0.4340723E-01 Hb(Abramov) 0.2851043E-03 Ex_ueg -0.1066580E-01 Ec_ueg -0.1959273E-02 Delta_ex -0.1390985E-01 Delta_ec 0.5384652E-02 Delta_et -0.5412147E-01 Pxc 0.5443753E+01 Qxc -0.2583240E+01 3,-1 115 3 +1 -1.128183 1.330080 2.179351 Rho 0.2758867E-01 |GRAD(Rho)| 0.3205604E-16 GRAD(Rho)x -0.2395316E-16 GRAD(Rho)y -0.2068915E-16 GRAD(Rho)z -0.5078887E-17 Laplacian 0.1116948E+00 (-1/4)Del**2(Rho)) -0.2792370E-01 Diamond 0.1744960E-01 Metallicity 0.1554050E+01 Ellipticity -0.4887475E+01 Gb(Abramov) 0.2584827E-01 Vb(Abramov) -0.2377284E-01 Hb(Abramov) 0.2075430E-02 Ex_ueg -0.6156863E-02 Ec_ueg -0.1219913E-02 Delta_ex -0.7201041E-02 Delta_ec 0.2017483E-02 Delta_et -0.1822015E-01 Pxc 0.5046970E+01 Qxc -0.3569319E+01 3,+1 116 3 +1 2.171169 1.399663 -1.076656 Rho 0.2719979E-01 |GRAD(Rho)| 0.1187272E-12 GRAD(Rho)x -0.3432529E-13 GRAD(Rho)y 0.7475072E-13 GRAD(Rho)z 0.8561695E-13 Laplacian 0.1096106E+00 (-1/4)Del**2(Rho)) -0.2740265E-01 Diamond 0.1637647E-01 Metallicity 0.1546571E+01 Ellipticity -0.3972049E+01 Gb(Abramov) 0.2533179E-01 Vb(Abramov) -0.2326094E-01 Hb(Abramov) 0.2070858E-02 Ex_ueg -0.6041423E-02 Ec_ueg -0.1200096E-02 Delta_ex -0.6999620E-02 Delta_ec 0.1907694E-02 Delta_et -0.1717999E-01 Pxc 0.5034118E+01 Qxc -0.3669153E+01 3,+1 117 3 -1 -0.555455 -2.750244 1.826063 Rho 0.1366861E+00 |GRAD(Rho)| 0.3377929E-09 GRAD(Rho)x -0.2146588E-09 GRAD(Rho)y -0.7925044E-10 GRAD(Rho)z -0.2484854E-09 Laplacian 0.5755327E+00 (-1/4)Del**2(Rho)) -0.1438832E+00 Diamond 0.1045142E+01 Metallicity 0.4342608E+01 Ellipticity 0.8325643E-02 Gb(Abramov) 0.2000602E+00 Vb(Abramov) -0.2562371E+00 Hb(Abramov) -0.5617697E-01 Ex_ueg -0.5200172E-01 Ec_ueg -0.7596762E-02 Delta_ex -0.6044219E-01 Delta_ec 0.1498020E-01 Delta_et -0.1967941E+00 Pxc 0.6845248E+01 Qxc -0.4034804E+01 3,-1 118 3 -1 0.526854 -1.704933 1.746215 Rho 0.4843285E-01 |GRAD(Rho)| 0.3267017E-12 GRAD(Rho)x -0.1184387E-12 GRAD(Rho)y 0.3035143E-12 GRAD(Rho)z -0.2419433E-13 Laplacian 0.1977777E+00 (-1/4)Del**2(Rho)) -0.4944441E-01 Diamond 0.9512934E-01 Metallicity 0.2242174E+01 Ellipticity 0.1620090E-01 Gb(Abramov) 0.5144011E-01 Vb(Abramov) -0.5343580E-01 Hb(Abramov) -0.1995693E-02 Ex_ueg -0.1303882E-01 Ec_ueg -0.2328433E-02 Delta_ex -0.1611005E-01 Delta_ec 0.5823588E-02 Delta_et -0.6088057E-01 Pxc 0.5599829E+01 Qxc -0.2766345E+01 3,-1 119 3 -1 -0.532020 -1.700125 -1.747924 Rho 0.4788795E-01 |GRAD(Rho)| 0.1038276E-14 GRAD(Rho)x 0.3666526E-15 GRAD(Rho)y -0.6629574E-15 GRAD(Rho)z -0.7099792E-15 Laplacian 0.1954817E+00 (-1/4)Del**2(Rho)) -0.4887041E-01 Diamond 0.9248953E-01 Metallicity 0.2226132E+01 Ellipticity 0.1156850E-01 Gb(Abramov) 0.5071228E-01 Vb(Abramov) -0.5255414E-01 Hb(Abramov) -0.1841861E-02 Ex_ueg -0.1284360E-01 Ec_ueg -0.2298464E-02 Delta_ex -0.1587318E-01 Delta_ec 0.5748317E-02 Delta_et -0.5991392E-01 Pxc 0.5587904E+01 Qxc -0.2761362E+01 3,-1 120 3 -1 -0.574452 -1.771002 2.793110 Rho 0.1479650E+00 |GRAD(Rho)| 0.1660373E-11 GRAD(Rho)x -0.1099474E-11 GRAD(Rho)y 0.1198614E-11 GRAD(Rho)z 0.3336425E-12 Laplacian 0.6241207E+00 (-1/4)Del**2(Rho)) -0.1560302E+00 Diamond 0.1241789E+01 Metallicity 0.4570281E+01 Ellipticity 0.1113234E-01 Gb(Abramov) 0.2228704E+00 Vb(Abramov) -0.2897106E+00 Hb(Abramov) -0.6684022E-01 Ex_ueg -0.5780033E-01 Ec_ueg -0.8313371E-02 Delta_ex -0.6677576E-01 Delta_ec 0.1584545E-01 Delta_et -0.2104317E+00 Pxc 0.6952695E+01 Qxc -0.4214191E+01 3,-1 121 3 -1 -0.538766 2.739705 -1.850256 Rho 0.1157062E+00 |GRAD(Rho)| 0.1798117E-15 GRAD(Rho)x -0.1096942E-15 GRAD(Rho)y 0.3097091E-16 GRAD(Rho)z 0.1390693E-15 Laplacian 0.4830724E+00 (-1/4)Del**2(Rho)) -0.1207681E+00 Diamond 0.7096638E+00 Metallicity 0.3919181E+01 Ellipticity 0.3314162E-02 Gb(Abramov) 0.1593974E+00 Vb(Abramov) -0.1980267E+00 Hb(Abramov) -0.3862930E-01 Ex_ueg -0.4164158E-01 Ec_ueg -0.6285928E-02 Delta_ex -0.4862674E-01 Delta_ec 0.1286874E-01 Delta_et -0.1640704E+00 Pxc 0.6624571E+01 Qxc -0.3778672E+01 3,-1 122 3 +1 0.199000 2.899002 -0.184779 Rho 0.5309653E-02 |GRAD(Rho)| 0.3927175E-15 GRAD(Rho)x 0.3084537E-15 GRAD(Rho)y 0.2914821E-16 GRAD(Rho)z -0.2413167E-15 Laplacian 0.2196191E-01 (-1/4)Del**2(Rho)) -0.5490479E-02 Diamond 0.5128648E-03 Metallicity 0.5070529E+00 Ellipticity -0.2250137E+01 Gb(Abramov) 0.4124313E-02 Vb(Abramov) -0.2758147E-02 Hb(Abramov) 0.1366166E-02 Ex_ueg -0.6841321E-03 Ec_ueg -0.1602627E-03 Delta_ex -0.1068389E-02 Delta_ec 0.6267073E-03 Delta_et -0.3491519E-02 Pxc 0.4268817E+01 Qxc -0.1704765E+01 3,+1 123 3 -1 0.863779 1.960692 -3.029778 Rho 0.1502952E+00 |GRAD(Rho)| 0.9732835E-13 GRAD(Rho)x -0.7347752E-13 GRAD(Rho)y 0.5663621E-13 GRAD(Rho)z 0.2943130E-13 Laplacian 0.5866150E+00 (-1/4)Del**2(Rho)) -0.1466538E+00 Diamond 0.1181279E+01 Metallicity 0.4990778E+01 Ellipticity 0.7000331E-01 Gb(Abramov) 0.2197552E+00 Vb(Abramov) -0.2928567E+00 Hb(Abramov) -0.7310149E-01 Ex_ueg -0.5901717E-01 Ec_ueg -0.8462411E-02 Delta_ex -0.6292498E-01 Delta_ec 0.1469369E-01 Delta_et -0.1952325E+00 Pxc 0.6974037E+01 Qxc -0.4282450E+01 3,-1 124 3 +1 0.186414 0.201979 -2.899256 Rho 0.5265660E-02 |GRAD(Rho)| 0.3127712E-12 GRAD(Rho)x 0.3018300E-12 GRAD(Rho)y -0.5375173E-13 GRAD(Rho)z -0.6192927E-13 Laplacian 0.2188244E-01 (-1/4)Del**2(Rho)) -0.5470611E-02 Diamond 0.4943619E-03 Metallicity 0.5018863E+00 Ellipticity -0.2050462E+01 Gb(Abramov) 0.4104678E-02 Vb(Abramov) -0.2738745E-02 Hb(Abramov) 0.1365933E-02 Ex_ueg -0.6765847E-03 Ec_ueg -0.1583631E-03 Delta_ex -0.1053246E-02 Delta_ec 0.6074850E-03 Delta_et -0.3383599E-02 Pxc 0.4272363E+01 Qxc -0.1733781E+01 3,+1 125 3 -1 0.537849 1.706676 -1.768786 Rho 0.4357911E-01 |GRAD(Rho)| 0.1997860E-14 GRAD(Rho)x -0.6558775E-15 GRAD(Rho)y 0.1249125E-14 GRAD(Rho)z -0.1414551E-14 Laplacian 0.1840912E+00 (-1/4)Del**2(Rho)) -0.4602280E-01 Diamond 0.7925925E-01 Metallicity 0.2020121E+01 Ellipticity 0.1602528E-01 Gb(Abramov) 0.4617713E-01 Vb(Abramov) -0.4633147E-01 Hb(Abramov) -0.1543384E-03 Ex_ueg -0.1132634E-01 Ec_ueg -0.2063152E-02 Delta_ex -0.1473555E-01 Delta_ec 0.5661071E-02 Delta_et -0.5759861E-01 Pxc 0.5489822E+01 Qxc -0.2602962E+01 3,-1 126 3 +1 1.288847 -1.161148 2.167532 Rho 0.2971612E-01 |GRAD(Rho)| 0.9151430E-10 GRAD(Rho)x -0.7010205E-10 GRAD(Rho)y -0.5499267E-10 GRAD(Rho)z -0.2088961E-10 Laplacian 0.1221847E+00 (-1/4)Del**2(Rho)) -0.3054618E-01 Diamond 0.2175722E-01 Metallicity 0.1607866E+01 Ellipticity -0.7623893E+01 Gb(Abramov) 0.2854981E-01 Vb(Abramov) -0.2655345E-01 Hb(Abramov) 0.1996366E-02 Ex_ueg -0.6797897E-02 Ec_ueg -0.1328974E-02 Delta_ex -0.8088021E-02 Delta_ec 0.2301539E-02 Delta_et -0.2115777E-01 Pxc 0.5115148E+01 Qxc -0.3514179E+01 3,+1 127 3 +3 -0.010101 0.018945 2.324969 Rho 0.4727905E-02 |GRAD(Rho)| 0.2987216E-17 GRAD(Rho)x -0.1080263E-17 GRAD(Rho)y 0.2337915E-18 GRAD(Rho)z -0.2775218E-17 Laplacian 0.1936847E-01 (-1/4)Del**2(Rho)) -0.4842118E-02 Diamond 0.1807060E-03 Metallicity 0.4738407E+00 Ellipticity -0.3027781E+00 Gb(Abramov) 0.3610477E-02 Vb(Abramov) -0.2378837E-02 Hb(Abramov) 0.1231641E-02 Ex_ueg -0.5860617E-03 Ec_ueg -0.1352223E-03 Delta_ex -0.7143230E-03 Delta_ec 0.1843238E-03 Delta_et -0.1157397E-02 Pxc 0.4334062E+01 Qxc -0.3875371E+01 3,+3 128 3 -1 -0.467139 -0.463474 -0.472788 Rho 0.1848324E+00 |GRAD(Rho)| 0.2429108E-15 GRAD(Rho)x 0.1734723E-15 GRAD(Rho)y -0.3469447E-17 GRAD(Rho)z -0.1700029E-15 Laplacian 0.5089777E+00 (-1/4)Del**2(Rho)) -0.1272444E+00 Diamond 0.1353039E+01 Metallicity 0.8119785E+01 Ellipticity 0.7963751E-03 Gb(Abramov) 0.2570292E+00 Vb(Abramov) -0.3868139E+00 Hb(Abramov) -0.1297848E+00 Ex_ueg -0.7775992E-01 Ec_ueg -0.1070946E-01 Delta_ex -0.5778694E-01 Delta_ec 0.1261156E-01 Delta_et -0.1732954E+00 Pxc 0.7260863E+01 Qxc -0.4582060E+01 3,-1 129 3 +1 0.146793 -0.136529 2.889264 Rho 0.5405498E-02 |GRAD(Rho)| 0.3391760E-16 GRAD(Rho)x 0.8133910E-17 GRAD(Rho)y -0.3249735E-16 GRAD(Rho)z 0.5307099E-17 Laplacian 0.2214389E-01 (-1/4)Del**2(Rho)) -0.5535972E-02 Diamond 0.5706693E-03 Metallicity 0.5181062E+00 Ellipticity -0.3615835E+01 Gb(Abramov) 0.4168685E-02 Vb(Abramov) -0.2801398E-02 Hb(Abramov) 0.1367287E-02 Ex_ueg -0.7006471E-03 Ec_ueg -0.1644046E-03 Delta_ex -0.1115405E-02 Delta_ec 0.6930905E-03 Delta_et -0.3854861E-02 Pxc 0.4261726E+01 Qxc -0.1609321E+01 3,+1 130 3 -1 0.030151 -0.020877 2.895079 Rho 0.5418491E-02 |GRAD(Rho)| 0.1652769E-16 GRAD(Rho)x -0.4678522E-17 GRAD(Rho)y -0.1583219E-16 GRAD(Rho)z -0.7860887E-18 Laplacian 0.2178664E-01 (-1/4)Del**2(Rho)) -0.5446660E-02 Diamond 0.6464378E-03 Metallicity 0.5287133E+00 Ellipticity 0.3475000E+01 Gb(Abramov) 0.4111060E-02 Vb(Abramov) -0.2775460E-02 Hb(Abramov) 0.1335600E-02 Ex_ueg -0.7028936E-03 Ec_ueg -0.1649664E-03 Delta_ex -0.1167297E-02 Delta_ec 0.8057644E-03 Delta_et -0.4434870E-02 Pxc 0.4260828E+01 Qxc -0.1448682E+01 3,-1 131 3 -1 -0.473168 0.473392 0.469264 Rho 0.1864660E+00 |GRAD(Rho)| 0.1053479E-15 GRAD(Rho)x 0.5204170E-16 GRAD(Rho)y 0.8326673E-16 GRAD(Rho)z 0.3816392E-16 Laplacian 0.5156120E+00 (-1/4)Del**2(Rho)) -0.1289030E+00 Diamond 0.1383330E+01 Metallicity 0.8133730E+01 Ellipticity 0.3399118E-02 Gb(Abramov) 0.2606790E+00 Vb(Abramov) -0.3924550E+00 Hb(Abramov) -0.1317760E+00 Ex_ueg -0.7867765E-01 Ec_ueg -0.1081746E-01 Delta_ex -0.5865552E-01 Delta_ec 0.1272110E-01 Delta_et -0.1748898E+00 Pxc 0.7273207E+01 Qxc -0.4610884E+01 3,-1 132 3 -1 0.065524 -3.144331 -3.246621 Rho 0.2523217E+00 |GRAD(Rho)| 0.4426741E-14 GRAD(Rho)x -0.8057248E-15 GRAD(Rho)y 0.3138115E-14 GRAD(Rho)z 0.3016467E-14 Laplacian 0.9182069E+00 (-1/4)Del**2(Rho)) -0.2295517E+00 Diamond 0.3434946E+01 Metallicity 0.7561308E+01 Ellipticity 0.2832739E-02 Gb(Abramov) 0.4423197E+00 Vb(Abramov) -0.6550877E+00 Hb(Abramov) -0.2127680E+00 Ex_ueg -0.1177582E+00 Ec_ueg -0.1529503E-01 Delta_ex -0.1123315E+00 Delta_ec 0.1985477E-01 Delta_et -0.2748016E+00 Pxc 0.7699115E+01 Qxc -0.5657657E+01 3,-1 133 3 -1 1.772903 0.533244 -1.698173 Rho 0.4347257E-01 |GRAD(Rho)| 0.1487325E-15 GRAD(Rho)x 0.8376330E-16 GRAD(Rho)y -0.4634117E-16 GRAD(Rho)z -0.1138313E-15 Laplacian 0.1832442E+00 (-1/4)Del**2(Rho)) -0.4581105E-01 Diamond 0.7863879E-01 Metallicity 0.2021196E+01 Ellipticity 0.1800518E-01 Gb(Abramov) 0.4597288E-01 Vb(Abramov) -0.4613472E-01 Hb(Abramov) -0.1618382E-03 Ex_ueg -0.1128943E-01 Ec_ueg -0.2057372E-02 Delta_ex -0.1465919E-01 Delta_ec 0.5635692E-02 Delta_et -0.5730280E-01 Pxc 0.5487307E+01 Qxc -0.2601134E+01 3,-1 134 3 +1 0.523246 0.546224 1.663531 Rho 0.8839148E-02 |GRAD(Rho)| 0.1964123E-15 GRAD(Rho)x -0.4315687E-16 GRAD(Rho)y 0.1659721E-15 GRAD(Rho)z 0.9575253E-16 Laplacian 0.3431894E-01 (-1/4)Del**2(Rho)) -0.8579735E-02 Diamond 0.9614749E-03 Metallicity 0.7587464E+00 Ellipticity -0.1472159E+01 Gb(Abramov) 0.6804797E-02 Vb(Abramov) -0.5029859E-02 Hb(Abramov) 0.1774938E-02 Ex_ueg -0.1349788E-02 Ec_ueg -0.3156929E-03 Delta_ex -0.1582265E-02 Delta_ec 0.4891804E-03 Delta_et -0.3362129E-02 Pxc 0.4275636E+01 Qxc -0.3234523E+01 3,+1 135 3 -1 -0.069464 -3.152019 3.239626 Rho 0.2526693E+00 |GRAD(Rho)| 0.4080483E-15 GRAD(Rho)x 0.1121336E-15 GRAD(Rho)y -0.1138412E-15 GRAD(Rho)z -0.3754592E-15 Laplacian 0.9206364E+00 (-1/4)Del**2(Rho)) -0.2301591E+00 Diamond 0.3448564E+01 Metallicity 0.7558677E+01 Ellipticity 0.1277723E-02 Gb(Abramov) 0.4433891E+00 Vb(Abramov) -0.6566191E+00 Hb(Abramov) -0.2132300E+00 Ex_ueg -0.1179746E+00 Ec_ueg -0.1531930E-01 Delta_ex -0.1126636E+00 Delta_ec 0.1988844E-01 Delta_et -0.2752240E+00 Pxc 0.7701042E+01 Qxc -0.5664780E+01 3,-1 136 3 -1 0.558217 -2.754909 -1.832018 Rho 0.1318931E+00 |GRAD(Rho)| 0.4423621E-13 GRAD(Rho)x 0.3171237E-14 GRAD(Rho)y 0.2183907E-13 GRAD(Rho)z 0.3833850E-13 Laplacian 0.5514252E+00 (-1/4)Del**2(Rho)) -0.1378563E+00 Diamond 0.9615315E+00 Metallicity 0.4270675E+01 Ellipticity 0.1391104E-01 Gb(Abramov) 0.1900274E+00 Vb(Abramov) -0.2421986E+00 Hb(Abramov) -0.5217115E-01 Ex_ueg -0.4958470E-01 Ec_ueg -0.7294692E-02 Delta_ex -0.5743836E-01 Delta_ec 0.1452305E-01 Delta_et -0.1898046E+00 Pxc 0.6797367E+01 Qxc -0.3954978E+01 3,-1 137 3 -1 0.842074 -2.975847 2.018465 Rho 0.1329750E+00 |GRAD(Rho)| 0.2381842E-15 GRAD(Rho)x -0.1384391E-15 GRAD(Rho)y 0.1645683E-15 GRAD(Rho)z 0.1023893E-15 Laplacian 0.5227046E+00 (-1/4)Del**2(Rho)) -0.1306762E+00 Diamond 0.9226891E+00 Metallicity 0.4567096E+01 Ellipticity 0.2646463E-01 Gb(Abramov) 0.1865859E+00 Vb(Abramov) -0.2424955E+00 Hb(Abramov) -0.5590970E-01 Ex_ueg -0.5012777E-01 Ec_ueg -0.7362746E-02 Delta_ex -0.5458049E-01 Delta_ec 0.1378668E-01 Delta_et -0.1805076E+00 Pxc 0.6808297E+01 Qxc -0.3958930E+01 3,-1 138 3 -1 0.568531 -1.767554 -2.787718 Rho 0.1561885E+00 |GRAD(Rho)| 0.1242237E-15 GRAD(Rho)x -0.4580754E-16 GRAD(Rho)y -0.9774083E-16 GRAD(Rho)z 0.6148104E-16 Laplacian 0.6547892E+00 (-1/4)Del**2(Rho)) -0.1636973E+00 Diamond 0.1383701E+01 Metallicity 0.4767166E+01 Ellipticity 0.1713361E-01 Gb(Abramov) 0.2391936E+00 Vb(Abramov) -0.3146898E+00 Hb(Abramov) -0.7549627E-01 Ex_ueg -0.6212274E-01 Ec_ueg -0.8840839E-02 Delta_ex -0.7093507E-01 Delta_ec 0.1629063E-01 Delta_et -0.2176713E+00 Pxc 0.7026792E+01 Qxc -0.4354348E+01 3,-1 139 3 -1 0.860860 -1.957027 3.002622 Rho 0.1483270E+00 |GRAD(Rho)| 0.4202036E-12 GRAD(Rho)x -0.3110193E-12 GRAD(Rho)y -0.2248723E-12 GRAD(Rho)z -0.1710863E-12 Laplacian 0.5841203E+00 (-1/4)Del**2(Rho)) -0.1460301E+00 Diamond 0.1170719E+01 Metallicity 0.4903183E+01 Ellipticity 0.4441919E-01 Gb(Abramov) 0.2166887E+00 Vb(Abramov) -0.2873474E+00 Hb(Abramov) -0.7065866E-01 Ex_ueg -0.5798898E-01 Ec_ueg -0.8336506E-02 Delta_ex -0.6258513E-01 Delta_ec 0.1491300E-01 Delta_et -0.1983261E+00 Pxc 0.6956029E+01 Qxc -0.4196683E+01 3,-1 140 3 -1 0.561667 1.790669 2.805128 Rho 0.1392474E+00 |GRAD(Rho)| 0.1626773E-12 GRAD(Rho)x -0.1089979E-12 GRAD(Rho)y 0.1188632E-12 GRAD(Rho)z -0.2132799E-13 Laplacian 0.5869445E+00 (-1/4)Del**2(Rho)) -0.1467361E+00 Diamond 0.1068584E+01 Metallicity 0.4391992E+01 Ellipticity 0.2102025E-01 Gb(Abramov) 0.2052347E+00 Vb(Abramov) -0.2637333E+00 Hb(Abramov) -0.5849860E-01 Ex_ueg -0.5330501E-01 Ec_ueg -0.7758790E-02 Delta_ex -0.6168475E-01 Delta_ec 0.1478994E-01 Delta_et -0.1939864E+00 Pxc 0.6870274E+01 Qxc -0.4170723E+01 3,-1 141 3 -1 0.845089 2.966446 -2.043249 Rho 0.1185936E+00 |GRAD(Rho)| 0.6573592E-15 GRAD(Rho)x 0.3927929E-15 GRAD(Rho)y 0.2701967E-15 GRAD(Rho)z 0.4525799E-15 Laplacian 0.4587116E+00 (-1/4)Del**2(Rho)) -0.1146779E+00 Diamond 0.6989250E+00 Metallicity 0.4300399E+01 Ellipticity 0.3203486E-01 Gb(Abramov) 0.1586454E+00 Vb(Abramov) -0.2026129E+00 Hb(Abramov) -0.4396749E-01 Ex_ueg -0.4303284E-01 Ec_ueg -0.6464546E-02 Delta_ex -0.4651173E-01 Delta_ec 0.1226579E-01 Delta_et -0.1572496E+00 Pxc 0.6656746E+01 Qxc -0.3791987E+01 3,-1 142 3 -1 0.544175 2.769211 1.862022 Rho 0.1160646E+00 |GRAD(Rho)| 0.4355929E-14 GRAD(Rho)x -0.2649295E-14 GRAD(Rho)y -0.5436325E-15 GRAD(Rho)z 0.3414647E-14 Laplacian 0.4813457E+00 (-1/4)Del**2(Rho)) -0.1203364E+00 Diamond 0.7111010E+00 Metallicity 0.3953568E+01 Ellipticity 0.6226876E-02 Gb(Abramov) 0.1595173E+00 Vb(Abramov) -0.1986982E+00 Hb(Abramov) -0.3918089E-01 Ex_ueg -0.4181366E-01 Ec_ueg -0.6308069E-02 Delta_ex -0.4850738E-01 Delta_ec 0.1284702E-01 Delta_et -0.1639360E+00 Pxc 0.6628599E+01 Qxc -0.3775770E+01 3,-1 143 3 -1 -0.058479 3.139936 -3.262192 Rho 0.2413964E+00 |GRAD(Rho)| 0.6096616E-10 GRAD(Rho)x -0.1159476E-10 GRAD(Rho)y 0.4270825E-10 GRAD(Rho)z -0.4193375E-10 Laplacian 0.8641387E+00 (-1/4)Del**2(Rho)) -0.2160347E+00 Diamond 0.3091401E+01 Metallicity 0.7463017E+01 Ellipticity 0.1224516E-02 Gb(Abramov) 0.4127348E+00 Vb(Abramov) -0.6094350E+00 Hb(Abramov) -0.1967002E+00 Ex_ueg -0.1110093E+00 Ec_ueg -0.1453570E-01 Delta_ex -0.1046366E+00 Delta_ec 0.1918659E-01 Delta_et -0.2663968E+00 Pxc 0.7637015E+01 Qxc -0.5453635E+01 3,-1 144 3 -1 0.051888 3.151871 3.270525 Rho 0.2423523E+00 |GRAD(Rho)| 0.9654315E-15 GRAD(Rho)x -0.1505957E-15 GRAD(Rho)y -0.4671285E-15 GRAD(Rho)z -0.8313662E-15 Laplacian 0.8623039E+00 (-1/4)Del**2(Rho)) -0.2155760E+00 Diamond 0.3102907E+01 Metallicity 0.7528318E+01 Ellipticity 0.1890461E-02 Gb(Abramov) 0.4142047E+00 Vb(Abramov) -0.6128335E+00 Hb(Abramov) -0.1986288E+00 Ex_ueg -0.1115958E+00 Ec_ueg -0.1460187E-01 Delta_ex -0.1045399E+00 Delta_ec 0.1915495E-01 Delta_et -0.2661342E+00 Pxc 0.7642569E+01 Qxc -0.5457594E+01 3,-1 145 3 +1 2.157342 -1.419466 1.050891 Rho 0.2745560E-01 |GRAD(Rho)| 0.3723064E-16 GRAD(Rho)x 0.2084748E-16 GRAD(Rho)y -0.1634099E-17 GRAD(Rho)z -0.3080314E-16 Laplacian 0.1097830E+00 (-1/4)Del**2(Rho)) -0.2744574E-01 Diamond 0.1567885E-01 Metallicity 0.1568422E+01 Ellipticity -0.3136192E+01 Gb(Abramov) 0.2547158E-01 Vb(Abramov) -0.2349742E-01 Hb(Abramov) 0.1974162E-02 Ex_ueg -0.6117297E-02 Ec_ueg -0.1213127E-02 Delta_ex -0.6938480E-02 Delta_ec 0.1750490E-02 Delta_et -0.1582554E-01 Pxc 0.5042586E+01 Qxc -0.3963737E+01 3,+1 146 3 +1 1.095261 2.175331 -1.378303 Rho 0.2718795E-01 |GRAD(Rho)| 0.1594745E-13 GRAD(Rho)x -0.7208790E-14 GRAD(Rho)y 0.7331157E-14 GRAD(Rho)z -0.1219052E-13 Laplacian 0.1099335E+00 (-1/4)Del**2(Rho)) -0.2748338E-01 Diamond 0.1684414E-01 Metallicity 0.1540909E+01 Ellipticity -0.4689863E+01 Gb(Abramov) 0.2538049E-01 Vb(Abramov) -0.2327759E-01 Hb(Abramov) 0.2102893E-02 Ex_ueg -0.6037915E-02 Ec_ueg -0.1199493E-02 Delta_ex -0.7061110E-02 Delta_ec 0.1987742E-02 Delta_et -0.1788664E-01 Pxc 0.5033724E+01 Qxc -0.3552328E+01 3,+1 147 3 -1 0.470589 -0.465238 0.471972 Rho 0.1866768E+00 |GRAD(Rho)| 0.5787533E-15 GRAD(Rho)x -0.4891920E-15 GRAD(Rho)y 0.3087808E-15 GRAD(Rho)z -0.1734723E-16 Laplacian 0.5162726E+00 (-1/4)Del**2(Rho)) -0.1290681E+00 Diamond 0.1387692E+01 Metallicity 0.8138634E+01 Ellipticity 0.3275626E-02 Gb(Abramov) 0.2611185E+00 Vb(Abramov) -0.3931688E+00 Hb(Abramov) -0.1320503E+00 Ex_ueg -0.7879627E-01 Ec_ueg -0.1083141E-01 Delta_ex -0.5875263E-01 Delta_ec 0.1274303E-01 Delta_et -0.1752410E+00 Pxc 0.7274793E+01 Qxc -0.4610571E+01 3,-1 148 3 -1 0.476910 0.479958 -0.473167 Rho 0.1905372E+00 |GRAD(Rho)| 0.9552012E-16 GRAD(Rho)x 0.9367507E-16 GRAD(Rho)y -0.6938894E-17 GRAD(Rho)z -0.1734723E-16 Laplacian 0.5309128E+00 (-1/4)Del**2(Rho)) -0.1327282E+00 Diamond 0.1458710E+01 Metallicity 0.8188847E+01 Ellipticity 0.1067692E-03 Gb(Abramov) 0.2696340E+00 Vb(Abramov) -0.4065397E+00 Hb(Abramov) -0.1369058E+00 Ex_ueg -0.8097631E-01 Ec_ueg -0.1108727E-01 Delta_ex -0.6070305E-01 Delta_ec 0.1298401E-01 Delta_et -0.1787818E+00 Pxc 0.7303539E+01 Qxc -0.4675215E+01 3,-1 149 3 +1 -2.173137 1.291888 1.163292 Rho 0.2972776E-01 |GRAD(Rho)| 0.7389066E-15 GRAD(Rho)x 0.7287098E-15 GRAD(Rho)y 0.3288226E-16 GRAD(Rho)z -0.1178290E-15 Laplacian 0.1221541E+00 (-1/4)Del**2(Rho)) -0.3053852E-01 Diamond 0.2171278E-01 Metallicity 0.1609319E+01 Ellipticity -0.7411649E+01 Gb(Abramov) 0.2855005E-01 Vb(Abramov) -0.2656158E-01 Hb(Abramov) 0.1988469E-02 Ex_ueg -0.6801448E-02 Ec_ueg -0.1329573E-02 Delta_ex -0.8082463E-02 Delta_ec 0.2293157E-02 Delta_et -0.2108344E-01 Pxc 0.5115511E+01 Qxc -0.3524600E+01 3,+1 150 3 +1 1.339689 -2.175855 1.112661 Rho 0.2763909E-01 |GRAD(Rho)| 0.1783050E-15 GRAD(Rho)x 0.1037185E-15 GRAD(Rho)y -0.1398042E-15 GRAD(Rho)z -0.3859939E-16 Laplacian 0.1118526E+00 (-1/4)Del**2(Rho)) -0.2796315E-01 Diamond 0.1734925E-01 Metallicity 0.1556586E+01 Ellipticity -0.4553484E+01 Gb(Abramov) 0.2589661E-01 Vb(Abramov) -0.2383007E-01 Hb(Abramov) 0.2066540E-02 Ex_ueg -0.6171868E-02 Ec_ueg -0.1222484E-02 Delta_ex -0.7198669E-02 Delta_ec 0.1991674E-02 Delta_et -0.1799938E-01 Pxc 0.5048627E+01 Qxc -0.3614381E+01 3,+1 151 3 +1 1.738821 1.758890 1.737094 Rho 0.1199300E-01 |GRAD(Rho)| 0.1874725E-16 GRAD(Rho)x -0.1555889E-16 GRAD(Rho)y 0.1007619E-16 GRAD(Rho)z -0.2801922E-17 Laplacian 0.6025873E-01 (-1/4)Del**2(Rho)) -0.1506468E-01 Diamond 0.2414606E-02 Metallicity 0.7185767E+00 Ellipticity -0.1247617E+01 Gb(Abramov) 0.1184731E-01 Vb(Abramov) -0.8629937E-02 Hb(Abramov) 0.3217372E-02 Ex_ueg -0.2027476E-02 Ec_ueg -0.4592461E-03 Delta_ex -0.2962093E-02 Delta_ec 0.7831693E-03 Delta_et -0.5870849E-02 Pxc 0.4414792E+01 Qxc -0.3782188E+01 3,+1 152 3 +1 1.395826 1.075279 -2.171137 Rho 0.2699288E-01 |GRAD(Rho)| 0.2815735E-16 GRAD(Rho)x -0.5122698E-17 GRAD(Rho)y -0.1730118E-16 GRAD(Rho)z 0.2161628E-16 Laplacian 0.1085619E+00 (-1/4)Del**2(Rho)) -0.2714047E-01 Diamond 0.1599240E-01 Metallicity 0.1541764E+01 Ellipticity -0.3869714E+01 Gb(Abramov) 0.2506768E-01 Vb(Abramov) -0.2299489E-01 Hb(Abramov) 0.2072791E-02 Ex_ueg -0.5980223E-02 Ec_ueg -0.1189567E-02 Delta_ex -0.6912843E-02 Delta_ec 0.1879330E-02 Delta_et -0.1689484E-01 Pxc 0.5027228E+01 Qxc -0.3678355E+01 3,+1 153 3 +1 1.757637 -1.745845 -1.738400 Rho 0.1199983E-01 |GRAD(Rho)| 0.1605454E-16 GRAD(Rho)x 0.1145741E-16 GRAD(Rho)y 0.1113669E-16 GRAD(Rho)z -0.1565198E-17 Laplacian 0.6035384E-01 (-1/4)Del**2(Rho)) -0.1508846E-01 Diamond 0.2422548E-02 Metallicity 0.7181246E+00 Ellipticity -0.1248557E+01 Gb(Abramov) 0.1186487E-01 Vb(Abramov) -0.8641285E-02 Hb(Abramov) 0.3223587E-02 Ex_ueg -0.2029014E-02 Ec_ueg -0.4595610E-03 Delta_ex -0.2967862E-02 Delta_ec 0.7855632E-03 Delta_et -0.5888725E-02 Pxc 0.4415113E+01 Qxc -0.3778005E+01 3,+1 154 3 -1 1.713165 -1.769499 0.539529 Rho 0.4135735E-01 |GRAD(Rho)| 0.1353498E-15 GRAD(Rho)x 0.7833975E-16 GRAD(Rho)y -0.1038115E-15 GRAD(Rho)z -0.3749158E-16 Laplacian 0.1746189E+00 (-1/4)Del**2(Rho)) -0.4365472E-01 Diamond 0.6977982E-01 Metallicity 0.1951835E+01 Ellipticity 0.9073557E-02 Gb(Abramov) 0.4330428E-01 Vb(Abramov) -0.4295384E-01 Hb(Abramov) 0.3504395E-03 Ex_ueg -0.1056303E-01 Ec_ueg -0.1943027E-02 Delta_ex -0.1378438E-01 Delta_ec 0.5347804E-02 Delta_et -0.5364617E-01 Pxc 0.5436379E+01 Qxc -0.2577579E+01 3,-1 155 3 +1 1.681669 -0.549112 -0.530690 Rho 0.8406441E-02 |GRAD(Rho)| 0.8603879E-17 GRAD(Rho)x -0.4183145E-17 GRAD(Rho)y -0.6615425E-17 GRAD(Rho)z 0.3572701E-17 Laplacian 0.3227293E-01 (-1/4)Del**2(Rho)) -0.8068233E-02 Diamond 0.8564884E-03 Metallicity 0.7420987E+00 Ellipticity -0.1481157E+01 Gb(Abramov) 0.6376726E-02 Vb(Abramov) -0.4685219E-02 Hb(Abramov) 0.1691507E-02 Ex_ueg -0.1262412E-02 Ec_ueg -0.2963281E-03 Delta_ex -0.1474809E-02 Delta_ec 0.4700566E-03 Delta_et -0.3181025E-02 Pxc 0.4260185E+01 Qxc -0.3137515E+01 3,+1 156 3 -1 1.850377 -0.545692 -2.734946 Rho 0.1145380E+00 |GRAD(Rho)| 0.2243796E-15 GRAD(Rho)x -0.8828116E-16 GRAD(Rho)y -0.1946211E-15 GRAD(Rho)z -0.6837589E-16 Laplacian 0.4779194E+00 (-1/4)Del**2(Rho)) -0.1194799E+00 Diamond 0.6941196E+00 Metallicity 0.3895006E+01 Ellipticity 0.5573891E-02 Gb(Abramov) 0.1572157E+00 Vb(Abramov) -0.1949515E+00 Hb(Abramov) -0.3773583E-01 Ex_ueg -0.4108198E-01 Ec_ueg -0.6213834E-02 Delta_ex -0.4799982E-01 Delta_ec 0.1277536E-01 Delta_et -0.1626081E+00 Pxc 0.6611374E+01 Qxc -0.3757218E+01 3,-1 157 3 -1 1.743622 -0.533600 1.699034 Rho 0.4868780E-01 |GRAD(Rho)| 0.1015996E-15 GRAD(Rho)x 0.5741147E-16 GRAD(Rho)y 0.4789061E-16 GRAD(Rho)z 0.6879602E-16 Laplacian 0.1987825E+00 (-1/4)Del**2(Rho)) -0.4969563E-01 Diamond 0.9629260E-01 Metallicity 0.2250446E+01 Ellipticity 0.1152595E-01 Gb(Abramov) 0.5176997E-01 Vb(Abramov) -0.5384431E-01 Hb(Abramov) -0.2074342E-02 Ex_ueg -0.1313042E-01 Ec_ueg -0.2342469E-02 Delta_ex -0.1621310E-01 Delta_ec 0.5852543E-02 Delta_et -0.6126720E-01 Pxc 0.5605374E+01 Qxc -0.2770266E+01 3,-1 158 3 -1 1.699998 1.773715 -0.528273 Rho 0.4392845E-01 |GRAD(Rho)| 0.2379244E-13 GRAD(Rho)x 0.5257037E-14 GRAD(Rho)y -0.1710439E-13 GRAD(Rho)z -0.1568067E-13 Laplacian 0.1851596E+00 (-1/4)Del**2(Rho)) -0.4628990E-01 Diamond 0.8065397E-01 Metallicity 0.2035370E+01 Ellipticity 0.1410207E-01 Gb(Abramov) 0.4656278E-01 Vb(Abramov) -0.4683566E-01 Hb(Abramov) -0.2728790E-03 Ex_ueg -0.1144756E-01 Ec_ueg -0.2082117E-02 Delta_ex -0.1485375E-01 Delta_ec 0.5699566E-02 Delta_et -0.5811573E-01 Pxc 0.5498039E+01 Qxc -0.2606120E+01 3,-1 159 3 +3 2.327561 -0.018962 -0.018310 Rho 0.4645261E-02 |GRAD(Rho)| 0.1086028E-16 GRAD(Rho)x -0.3502792E-17 GRAD(Rho)y 0.5333963E-17 GRAD(Rho)z 0.8787770E-17 Laplacian 0.1884750E-01 (-1/4)Del**2(Rho)) -0.4711874E-02 Diamond 0.1720421E-03 Metallicity 0.4728350E+00 Ellipticity -0.3426589E+00 Gb(Abramov) 0.3512573E-02 Vb(Abramov) -0.2313271E-02 Hb(Abramov) 0.1199302E-02 Ex_ueg -0.5724424E-03 Ec_ueg -0.1316790E-03 Delta_ex -0.6923563E-03 Delta_ec 0.1800171E-03 Delta_et -0.1124671E-02 Pxc 0.4347257E+01 Qxc -0.3846058E+01 3,+3 160 3 -1 1.968351 -3.028608 0.867927 Rho 0.1404704E+00 |GRAD(Rho)| 0.3398017E-13 GRAD(Rho)x -0.2563424E-13 GRAD(Rho)y 0.1888755E-13 GRAD(Rho)z 0.1186585E-13 Laplacian 0.5509776E+00 (-1/4)Del**2(Rho)) -0.1377444E+00 Diamond 0.1022365E+01 Metallicity 0.4747379E+01 Ellipticity 0.5824348E-01 Gb(Abramov) 0.2008171E+00 Vb(Abramov) -0.2638898E+00 Hb(Abramov) -0.6307268E-01 Ex_ueg -0.5393013E-01 Ec_ueg -0.7836301E-02 Delta_ex -0.5812315E-01 Delta_ec 0.1402203E-01 Delta_et -0.1845091E+00 Pxc 0.6882090E+01 Qxc -0.4145129E+01 3,-1 161 3 -1 1.791442 -2.811368 -0.565791 Rho 0.1389183E+00 |GRAD(Rho)| 0.4699570E-13 GRAD(Rho)x -0.2391621E-13 GRAD(Rho)y 0.3840606E-13 GRAD(Rho)z 0.1271162E-13 Laplacian 0.5858653E+00 (-1/4)Del**2(Rho)) -0.1464663E+00 Diamond 0.1064083E+01 Metallicity 0.4382761E+01 Ellipticity 0.2101216E-01 Gb(Abramov) 0.2046320E+00 Vb(Abramov) -0.2627978E+00 Hb(Abramov) -0.5816571E-01 Ex_ueg -0.5313708E-01 Ec_ueg -0.7737944E-02 Delta_ex -0.6154113E-01 Delta_ec 0.1478103E-01 Delta_et -0.1938231E+00 Pxc 0.6867079E+01 Qxc -0.4163521E+01 3,-1 162 3 -1 2.037514 0.836792 -2.959928 Rho 0.1123773E+00 |GRAD(Rho)| 0.9471842E-15 GRAD(Rho)x 0.6906571E-15 GRAD(Rho)y -0.6141124E-15 GRAD(Rho)z 0.2074045E-15 Laplacian 0.4342555E+00 (-1/4)Del**2(Rho)) -0.1085639E+00 Diamond 0.6203111E+00 Metallicity 0.4152714E+01 Ellipticity 0.2557488E-01 Gb(Abramov) 0.1475150E+00 Vb(Abramov) -0.1864662E+00 Hb(Abramov) -0.3895117E-01 Ex_ueg -0.4005190E-01 Ec_ueg -0.6080738E-02 Delta_ex -0.4347477E-01 Delta_ec 0.1176122E-01 Delta_et -0.1493409E+00 Pxc 0.6586683E+01 Qxc -0.3696449E+01 3,-1 163 3 +1 2.901876 -0.174903 0.142897 Rho 0.5328140E-02 |GRAD(Rho)| 0.2500664E-15 GRAD(Rho)x 0.1294938E-16 GRAD(Rho)y -0.1562808E-15 GRAD(Rho)z 0.1947866E-15 Laplacian 0.2181398E-01 (-1/4)Del**2(Rho)) -0.5453496E-02 Diamond 0.5456654E-03 Metallicity 0.5134572E+00 Ellipticity -0.3172222E+01 Gb(Abramov) 0.4102353E-02 Vb(Abramov) -0.2751211E-02 Hb(Abramov) 0.1351142E-02 Ex_ueg -0.6873099E-03 Ec_ueg -0.1610612E-03 Delta_ex -0.1090827E-02 Delta_ec 0.6740700E-03 Delta_et -0.3736422E-02 Pxc 0.4267382E+01 Qxc -0.1618270E+01 3,+1 164 3 -1 1.773657 2.823004 0.579757 Rho 0.1476503E+00 |GRAD(Rho)| 0.7613423E-13 GRAD(Rho)x 0.5360183E-13 GRAD(Rho)y -0.8567386E-14 GRAD(Rho)z -0.5338412E-13 Laplacian 0.6184251E+00 (-1/4)Del**2(Rho)) -0.1546063E+00 Diamond 0.1206924E+01 Metallicity 0.4596037E+01 Ellipticity 0.2721670E-01 Gb(Abramov) 0.2215002E+00 Vb(Abramov) -0.2883941E+00 Hb(Abramov) -0.6689393E-01 Ex_ueg -0.5763651E-01 Ec_ueg -0.8293272E-02 Delta_ex -0.6592437E-01 Delta_ec 0.1533875E-01 Delta_et -0.2028043E+00 Pxc 0.6949791E+01 Qxc -0.4297897E+01 3,-1 165 3 -1 1.957789 3.031347 -0.864553 Rho 0.1450570E+00 |GRAD(Rho)| 0.4425933E-15 GRAD(Rho)x -0.1784326E-15 GRAD(Rho)y -0.8199279E-18 GRAD(Rho)z -0.4050308E-15 Laplacian 0.5648008E+00 (-1/4)Del**2(Rho)) -0.1412002E+00 Diamond 0.1091449E+01 Metallicity 0.4885952E+01 Ellipticity 0.6476941E-01 Gb(Abramov) 0.2091164E+00 Vb(Abramov) -0.2770326E+00 Hb(Abramov) -0.6791618E-01 Ex_ueg -0.5629072E-01 Ec_ueg -0.8127848E-02 Delta_ex -0.6007483E-01 Delta_ec 0.1430130E-01 Delta_et -0.1891495E+00 Pxc 0.6925661E+01 Qxc -0.4200656E+01 3,-1 166 3 -1 2.014364 -0.843318 2.956411 Rho 0.1322206E+00 |GRAD(Rho)| 0.1301617E-13 GRAD(Rho)x 0.8003106E-14 GRAD(Rho)y 0.9150368E-14 GRAD(Rho)z -0.4652074E-14 Laplacian 0.5195630E+00 (-1/4)Del**2(Rho)) -0.1298907E+00 Diamond 0.9086807E+00 Metallicity 0.4551351E+01 Ellipticity 0.2594882E-01 Gb(Abramov) 0.1851236E+00 Vb(Abramov) -0.2403564E+00 Hb(Abramov) -0.5523281E-01 Ex_ueg -0.4974896E-01 Ec_ueg -0.7315288E-02 Delta_ex -0.5415193E-01 Delta_ec 0.1367586E-01 Delta_et -0.1788041E+00 Pxc 0.6800684E+01 Qxc -0.3959673E+01 3,-1 167 3 -1 2.789379 0.567545 1.759339 Rho 0.1541172E+00 |GRAD(Rho)| 0.6215066E-12 GRAD(Rho)x -0.1196518E-12 GRAD(Rho)y -0.4153851E-12 GRAD(Rho)z 0.4465524E-12 Laplacian 0.6466777E+00 (-1/4)Del**2(Rho)) -0.1616694E+00 Diamond 0.1346227E+01 Metallicity 0.4720743E+01 Ellipticity 0.1623176E-01 Gb(Abramov) 0.2349796E+00 Vb(Abramov) -0.3082897E+00 Hb(Abramov) -0.7331016E-01 Ex_ueg -0.6102669E-01 Ec_ueg -0.8707592E-02 Delta_ex -0.6983883E-01 Delta_ec 0.1616714E-01 Delta_et -0.2157029E+00 Pxc 0.7008446E+01 Qxc -0.4319801E+01 3,-1 168 3 -1 3.027915 0.864918 -1.961099 Rho 0.1497632E+00 |GRAD(Rho)| 0.1335657E-15 GRAD(Rho)x -0.1055471E-15 GRAD(Rho)y 0.3976311E-16 GRAD(Rho)z -0.7154379E-16 Laplacian 0.5828766E+00 (-1/4)Del**2(Rho)) -0.1457192E+00 Diamond 0.1169454E+01 Metallicity 0.4993196E+01 Ellipticity 0.6855958E-01 Gb(Abramov) 0.2184135E+00 Vb(Abramov) -0.2911078E+00 Hb(Abramov) -0.7269432E-01 Ex_ueg -0.5873884E-01 Ec_ueg -0.8428360E-02 Delta_ex -0.6247626E-01 Delta_ec 0.1462529E-01 Delta_et -0.1942588E+00 Pxc 0.6969190E+01 Qxc -0.4271795E+01 3,-1 169 3 -1 3.153658 -3.271256 -0.055708 Rho 0.2424758E+00 |GRAD(Rho)| 0.9209283E-16 GRAD(Rho)x -0.8023096E-17 GRAD(Rho)y -0.8098990E-16 GRAD(Rho)z -0.4309704E-16 Laplacian 0.8620386E+00 (-1/4)Del**2(Rho)) -0.2155096E+00 Diamond 0.3104633E+01 Metallicity 0.7537033E+01 Ellipticity 0.1352957E-02 Gb(Abramov) 0.4143903E+00 Vb(Abramov) -0.6132710E+00 Hb(Abramov) -0.1988807E+00 Ex_ueg -0.1116716E+00 Ec_ueg -0.1461043E-01 Delta_ex -0.1045258E+00 Delta_ec 0.1915346E-01 Delta_et -0.2661506E+00 Pxc 0.7643285E+01 Qxc -0.5457279E+01 3,-1 170 3 -1 2.768917 -1.864924 -0.548937 Rho 0.1183219E+00 |GRAD(Rho)| 0.3347870E-12 GRAD(Rho)x 0.2528530E-12 GRAD(Rho)y 0.2127882E-12 GRAD(Rho)z 0.5356207E-13 Laplacian 0.4916628E+00 (-1/4)Del**2(Rho)) -0.1229157E+00 Diamond 0.7428895E+00 Metallicity 0.3996881E+01 Ellipticity 0.4829259E-02 Gb(Abramov) 0.1638237E+00 Vb(Abramov) -0.2047317E+00 Hb(Abramov) -0.4090801E-01 Ex_ueg -0.4290146E-01 Ec_ueg -0.6447716E-02 Delta_ex -0.4976852E-01 Delta_ec 0.1305195E-01 Delta_et -0.1670962E+00 Pxc 0.6653745E+01 Qxc -0.3813109E+01 3,-1 171 3 -1 2.971657 -2.041015 0.840187 Rho 0.1242289E+00 |GRAD(Rho)| 0.4599202E-13 GRAD(Rho)x -0.1469528E-13 GRAD(Rho)y 0.3580762E-13 GRAD(Rho)z 0.2484209E-13 Laplacian 0.4845379E+00 (-1/4)Del**2(Rho)) -0.1211345E+00 Diamond 0.7769917E+00 Metallicity 0.4398687E+01 Ellipticity 0.3802066E-01 Gb(Abramov) 0.1695617E+00 Vb(Abramov) -0.2179890E+00 Hb(Abramov) -0.4842727E-01 Ex_ueg -0.4578063E-01 Ec_ueg -0.6814830E-02 Delta_ex -0.4963181E-01 Delta_ec 0.1273223E-01 Delta_et -0.1643901E+00 Pxc 0.6717796E+01 Qxc -0.3898123E+01 3,-1 172 3 -1 2.955980 2.043924 -0.840483 Rho 0.1123175E+00 |GRAD(Rho)| 0.3885251E-12 GRAD(Rho)x 0.1114121E-12 GRAD(Rho)y -0.2500110E-12 GRAD(Rho)z -0.2757419E-12 Laplacian 0.4344237E+00 (-1/4)Del**2(Rho)) -0.1086059E+00 Diamond 0.6198381E+00 Metallicity 0.4147429E+01 Ellipticity 0.2665939E-01 Gb(Abramov) 0.1474765E+00 Vb(Abramov) -0.1863471E+00 Hb(Abramov) -0.3887059E-01 Ex_ueg -0.4002351E-01 Ec_ueg -0.6077064E-02 Delta_ex -0.4348151E-01 Delta_ec 0.1175894E-01 Delta_et -0.1492851E+00 Pxc 0.6585995E+01 Qxc -0.3697740E+01 3,-1 173 3 -1 2.736488 1.851745 0.543961 Rho 0.1171111E+00 |GRAD(Rho)| 0.2278159E-15 GRAD(Rho)x -0.8842346E-16 GRAD(Rho)y 0.1649885E-15 GRAD(Rho)z -0.1298468E-15 Laplacian 0.4883996E+00 (-1/4)Del**2(Rho)) -0.1220999E+00 Diamond 0.7284779E+00 Metallicity 0.3955194E+01 Ellipticity 0.3540403E-02 Gb(Abramov) 0.1618881E+00 Vb(Abramov) -0.2016762E+00 Hb(Abramov) -0.3978816E-01 Ex_ueg -0.4231707E-01 Ec_ueg -0.6372762E-02 Delta_ex -0.4931141E-01 Delta_ec 0.1298641E-01 Delta_et -0.1659425E+00 Pxc 0.6640304E+01 Qxc -0.3797153E+01 3,-1 174 3 -1 3.132519 3.264355 0.066791 Rho 0.2410307E+00 |GRAD(Rho)| 0.1622325E-14 GRAD(Rho)x -0.7583994E-15 GRAD(Rho)y -0.1384418E-14 GRAD(Rho)z -0.3743750E-15 Laplacian 0.8634237E+00 (-1/4)Del**2(Rho)) -0.2158559E+00 Diamond 0.3082912E+01 Metallicity 0.7450349E+01 Ellipticity 0.8677271E-03 Gb(Abramov) 0.4119376E+00 Vb(Abramov) -0.6080193E+00 Hb(Abramov) -0.1960817E+00 Ex_ueg -0.1107852E+00 Ec_ueg -0.1451040E-01 Delta_ex -0.1045071E+00 Delta_ec 0.1917648E-01 Delta_et -0.2662295E+00 Pxc 0.7634883E+01 Qxc -0.5449755E+01 3,-1 175 3 -1 3.013121 -0.871620 1.949433 Rho 0.1494404E+00 |GRAD(Rho)| 0.8441410E-15 GRAD(Rho)x -0.3697536E-15 GRAD(Rho)y 0.3925625E-15 GRAD(Rho)z 0.6494235E-15 Laplacian 0.5870838E+00 (-1/4)Del**2(Rho)) -0.1467710E+00 Diamond 0.1189075E+01 Metallicity 0.4939615E+01 Ellipticity 0.4553572E-01 Gb(Abramov) 0.2186793E+00 Vb(Abramov) -0.2905876E+00 Hb(Abramov) -0.7190835E-01 Ex_ueg -0.5857007E-01 Ec_ueg -0.8407701E-02 Delta_ex -0.6303622E-01 Delta_ec 0.1499311E-01 Delta_et -0.1996758E+00 Pxc 0.6966241E+01 Qxc -0.4204344E+01 3,-1 176 3 -1 2.821665 -0.580737 -1.775315 Rho 0.1458347E+00 |GRAD(Rho)| 0.1268641E-13 GRAD(Rho)x -0.7174030E-15 GRAD(Rho)y 0.8786632E-14 GRAD(Rho)z -0.9122802E-14 Laplacian 0.6101288E+00 (-1/4)Del**2(Rho)) -0.1525322E+00 Diamond 0.1174599E+01 Metallicity 0.4563449E+01 Ellipticity 0.2557741E-01 Gb(Abramov) 0.2177003E+00 Vb(Abramov) -0.2828683E+00 Hb(Abramov) -0.6516807E-01 Ex_ueg -0.5669346E-01 Ec_ueg -0.8177411E-02 Delta_ex -0.6485678E-01 Delta_ec 0.1520629E-01 Delta_et -0.2007743E+00 Pxc 0.6932935E+01 Qxc -0.4265128E+01 3,-1 177 3 -1 2.905314 -0.039627 0.012088 Rho 0.5348157E-02 |GRAD(Rho)| 0.1293551E-16 GRAD(Rho)x 0.7264245E-19 GRAD(Rho)y 0.9813901E-17 GRAD(Rho)z 0.8426711E-17 Laplacian 0.2137550E-01 (-1/4)Del**2(Rho)) -0.5343874E-02 Diamond 0.6300173E-03 Metallicity 0.5272751E+00 Ellipticity 0.2900744E+01 Gb(Abramov) 0.4032198E-02 Vb(Abramov) -0.2720522E-02 Hb(Abramov) 0.1311676E-02 Ex_ueg -0.6907548E-03 Ec_ueg -0.1619261E-03 Delta_ex -0.1148305E-02 Delta_ec 0.8008861E-03 Delta_et -0.4386990E-02 Pxc 0.4265866E+01 Qxc -0.1433793E+01 3,-1 178 3 -1 -3.159187 -3.243563 0.060016 Rho 0.2530795E+00 |GRAD(Rho)| 0.6868927E-15 GRAD(Rho)x 0.2808084E-15 GRAD(Rho)y 0.5680135E-15 GRAD(Rho)z -0.2651959E-15 Laplacian 0.9194607E+00 (-1/4)Del**2(Rho)) -0.2298652E+00 Diamond 0.3452132E+01 Metallicity 0.7588830E+01 Ellipticity 0.1155320E-02 Gb(Abramov) 0.4439781E+00 Vb(Abramov) -0.6580910E+00 Hb(Abramov) -0.2141129E+00 Ex_ueg -0.1182300E+00 Ec_ueg -0.1534794E-01 Delta_ex -0.1125739E+00 Delta_ec 0.1986416E-01 Delta_et -0.2749474E+00 Pxc 0.7703312E+01 Qxc -0.5667186E+01 3,-1 179 3 -1 -3.247690 -0.064878 3.156499 Rho 0.2527173E+00 |GRAD(Rho)| 0.2657577E-14 GRAD(Rho)x 0.2454092E-14 GRAD(Rho)y -0.9977913E-15 GRAD(Rho)z -0.2110942E-15 Laplacian 0.9205079E+00 (-1/4)Del**2(Rho)) -0.2301270E+00 Diamond 0.3449147E+01 Metallicity 0.7562125E+01 Ellipticity 0.1271270E-02 Gb(Abramov) 0.4434595E+00 Vb(Abramov) -0.6567920E+00 Hb(Abramov) -0.2133325E+00 Ex_ueg -0.1180044E+00 Ec_ueg -0.1532265E-01 Delta_ex -0.1126549E+00 Delta_ec 0.1988695E-01 Delta_et -0.2752160E+00 Pxc 0.7701308E+01 Qxc -0.5664764E+01 3,-1 180 3 -1 -3.256730 0.059517 -3.156998 Rho 0.2529869E+00 |GRAD(Rho)| 0.2988035E-13 GRAD(Rho)x 0.2070197E-13 GRAD(Rho)y -0.5571986E-14 GRAD(Rho)z 0.2081386E-13 Laplacian 0.9188928E+00 (-1/4)Del**2(Rho)) -0.2297232E+00 Diamond 0.3449267E+01 Metallicity 0.7588893E+01 Ellipticity 0.1487185E-02 Gb(Abramov) 0.4437062E+00 Vb(Abramov) -0.6576893E+00 Hb(Abramov) -0.2139830E+00 Ex_ueg -0.1181723E+00 Ec_ueg -0.1534148E-01 Delta_ex -0.1124974E+00 Delta_ec 0.1986107E-01 Delta_et -0.2749361E+00 Pxc 0.7702800E+01 Qxc -0.5664218E+01 3,-1 181 3 -1 3.246222 0.062117 3.135552 Rho 0.2519738E+00 |GRAD(Rho)| 0.5556567E-15 GRAD(Rho)x 0.8489303E-16 GRAD(Rho)y -0.1542278E-15 GRAD(Rho)z -0.5270307E-15 Laplacian 0.9190328E+00 (-1/4)Del**2(Rho)) -0.2297582E+00 Diamond 0.3431703E+01 Metallicity 0.7537161E+01 Ellipticity 0.2221891E-02 Gb(Abramov) 0.4417929E+00 Vb(Abramov) -0.6538276E+00 Hb(Abramov) -0.2120347E+00 Ex_ueg -0.1175418E+00 Ec_ueg -0.1527075E-01 Delta_ex -0.1123887E+00 Delta_ec 0.1987542E-01 Delta_et -0.2750545E+00 Pxc 0.7697183E+01 Qxc -0.5654654E+01 3,-1 182 3 -1 1.831444 0.555727 2.743952 Rho 0.1303864E+00 |GRAD(Rho)| 0.8865841E-16 GRAD(Rho)x -0.7177418E-16 GRAD(Rho)y 0.5201460E-16 GRAD(Rho)z 0.1805874E-17 Laplacian 0.5454078E+00 (-1/4)Del**2(Rho)) -0.1363520E+00 Diamond 0.9377761E+00 Metallicity 0.4235900E+01 Ellipticity 0.1377336E-01 Gb(Abramov) 0.1871635E+00 Vb(Abramov) -0.2379751E+00 Hb(Abramov) -0.5081155E-01 Ex_ueg -0.4883091E-01 Ec_ueg -0.7200049E-02 Delta_ex -0.5665175E-01 Delta_ec 0.1439922E-01 Delta_et -0.1878269E+00 Pxc 0.6782024E+01 Qxc -0.3934361E+01 3,-1 183 3 -1 3.262513 -0.064037 -3.134199 Rho 0.2410057E+00 |GRAD(Rho)| 0.4337592E-15 GRAD(Rho)x 0.4167131E-15 GRAD(Rho)y -0.1200754E-16 GRAD(Rho)z -0.1198043E-15 Laplacian 0.8626584E+00 (-1/4)Del**2(Rho)) -0.2156646E+00 Diamond 0.3080389E+01 Metallicity 0.7455669E+01 Ellipticity 0.3663260E-03 Gb(Abramov) 0.4117637E+00 Vb(Abramov) -0.6078628E+00 Hb(Abramov) -0.1960991E+00 Ex_ueg -0.1107699E+00 Ec_ueg -0.1450867E-01 Delta_ex -0.1044148E+00 Delta_ec 0.1916569E-01 Delta_et -0.2661034E+00 Pxc 0.7634738E+01 Qxc -0.5448007E+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 81 118 120 117 139 137 135 119 138 136 104 113 132 125 81 121 123 141 143 114 140 142 106 107 144 154 170 161 171 160 169 158 173 164 172 165 174 86 76 89 71 91 64 85 74 83 73 82 178 61 65 97 58 93 180 90 78 96 67 98 179 157 167 182 175 166 181 133 176 156 168 162 183 147 128 148 131 66 177 130 102 111 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 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 24 27 28 2.380648 1.916836 1.948524 1.928302 1.971973 1.724353 2.386201 1.896502 1.963253 1.932597 1.976315 1.724898 2.403069 1.921982 1.992350 1.899265 1.996104 1.714545 2.423639 1.916475 1.991567 1.923348 1.973274 1.713164 2.426339 1.983644 1.917321 1.976056 1.925402 1.712981 2.400056 1.987511 1.893907 2.018489 1.913634 1.715132 2.374239 1.962550 1.897960 1.980888 1.930013 1.725479 2.392347 1.957656 1.924622 1.957467 1.924044 1.723790 2.395598 1.914855 1.951826 1.934130 1.961886 1.723922 2.383113 1.915333 1.955401 1.921971 1.972957 1.724274 2.378970 1.901517 1.967856 1.925472 1.974383 1.725369 2.404328 1.898759 1.996441 1.900949 2.018168 1.715185 1.696321 1.700565 1.687653 1.696817 3.255879 3.265909 3.261638 3.262481 3.263741 2.382400 1.917264 1.948905 1.928993 1.972637 1.724357 2.387878 1.896959 1.963641 1.933266 1.976997 1.724901 2.404997 1.922544 1.992951 1.900041 1.996961 1.714560 2.425178 1.917043 1.992170 1.924145 1.974145 1.713176 2.427841 1.984227 1.917895 1.976929 1.926211 1.712996 2.401921 1.988067 1.894490 2.019289 1.914425 1.715146 2.375932 1.962905 1.898416 1.981561 1.930689 1.725484 2.394084 1.958034 1.925055 1.958142 1.924725 1.723793 2.397316 1.915288 1.952236 1.934809 1.962572 1.723928 2.384878 1.915764 1.955775 1.922648 1.973622 1.724278 2.380646 1.901985 1.968248 1.926132 1.975054 1.725376 2.406258 1.899346 1.997032 1.901725 2.019019 1.715201 1.696324 1.700567 1.687654 1.696822 3.264601 3.275620 3.271663 3.271914 3.273444 30 27 27 29 27 22 30 27 27 28 28 22 30 27 26 27 26 21 31 27 25 27 27 23 27 27 25 28 24 23 27 30 25 28 25 24 30 27 27 27 28 23 30 27 27 27 27 23 30 27 27 28 28 24 30 27 26 26 28 22 27 29 27 28 25 25 30 27 25 30 25 24 22 25 23 25 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 Mo Mo Mo W W W W W Mo 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 2.5156 2.5188 2.3687 2.3978 2.3964 2.3732 2.5110 2.5303 2.5261 2.5163 2.5035 2.3751 -1.1397 -1.1430 -1.1304 -1.1404 -0.9508 -0.8937 -0.9491 -0.9207 -0.9212 -0.9143 -0.9151 -0.9502 -0.9220 -0.9511 -0.8922 -0.9128 -0.9107 -0.9457 -0.8757 -0.9424 -0.9423 -0.8743 -0.9021 -0.9460 -0.9448 -0.9102 -0.9027 -0.8775 -0.7359 -0.7380 -0.6574 -0.6562 -0.6555 -0.6594 -0.7388 -0.7359 -0.7357 -0.7359 -0.7378 -0.6597 2.5348 2.0840 2.0789 1.9288 1.9381 1.9393 1.9200 2.0814 2.0805 2.0783 2.0831 2.0812 1.9195 1.9365 1.9346 1.9406 1.9362 1.9344 1.9437 1.9350 1.9393 1.9393 1.9404 1.9392 1.9347 1.9386 1.9344 1.9441 1.9403 1.9498 1.9478 1.9555 1.9493 1.9492 1.9555 1.9515 1.9478 1.9479 1.9498 1.9514 1.9547 1.9751 1.9744 1.9860 1.9866 1.9868 1.9857 1.9744 1.9751 1.9750 1.9751 1.9744 1.9857 0.8029 6.0838 6.0772 6.0696 6.0467 6.0471 6.0670 6.0834 6.0780 6.0774 6.0837 6.0833 6.0666 5.1636 5.1687 5.1499 5.1646 4.9861 4.9234 4.9839 4.9532 4.9536 4.9460 4.9476 4.9852 4.9551 4.9866 4.9215 4.9445 4.9302 4.9650 4.8918 4.9605 4.9605 4.8902 4.9199 4.9653 4.9643 4.9299 4.9207 4.8942 4.7225 4.7254 4.6351 4.6331 4.6323 4.6375 4.7263 4.7223 4.7224 4.7224 4.7252 4.6378 1.1132 3.2876 3.2963 3.6329 3.6174 3.6172 3.6398 3.2953 3.2823 3.2893 3.2880 3.3031 3.6387 0.0397 0.0397 0.0399 0.0397 0.0303 0.0266 0.0302 0.0283 0.0283 0.0279 0.0283 0.0303 0.0282 0.0302 0.0266 0.0280 0.0307 0.0330 0.0285 0.0326 0.0326 0.0285 0.0308 0.0329 0.0326 0.0306 0.0307 0.0286 0.0384 0.0382 0.0363 0.0365 0.0365 0.0362 0.0382 0.0384 0.0384 0.0384 0.0382 0.0362 10.5491 14.0289 14.0288 0.0000 0.0000 0.0000 0.0000 14.0289 14.0289 14.0289 14.0289 14.0288 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W W Mo Mo Mo Mo W W W W W Mo 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 2.523398 2.519317 3.180751 3.179464 3.180203 3.178906 2.520101 2.523960 2.521956 2.522985 2.518699 3.178259 -1.137751 -1.102590 -1.214326 -1.138452 -0.940600 -1.163924 -0.939592 -1.041179 -1.038793 -1.056968 -1.057692 -0.940808 -1.042154 -0.941653 -1.162147 -1.055887 -1.011449 -0.910520 -1.116483 -0.907792 -0.907847 -1.116005 -1.022589 -0.910781 -0.910616 -1.012661 -1.022126 -1.119841 -0.758900 -0.761810 -0.922155 -0.920994 -0.920385 -0.923311 -0.762504 -0.759038 -0.758603 -0.758597 -0.761284 -0.923703 2.326510 1.953649 1.959613 2.383243 2.381446 2.381671 2.388836 1.957565 1.950002 1.955433 1.954213 1.963264 2.388309 -0.823511 -0.771577 -0.931913 -0.821597 -0.706104 -0.906157 -0.705929 -0.802160 -0.803535 -0.807540 -0.804965 -0.705414 -0.804547 -0.705298 -0.906022 -0.807968 -0.815745 -0.739864 -0.900217 -0.740711 -0.736556 -0.902556 -0.824898 -0.734624 -0.740397 -0.817234 -0.824963 -0.900186 -0.637518 -0.639841 -0.668871 -0.673177 -0.672562 -0.667019 -0.639051 -0.642367 -0.638949 -0.636793 -0.634968 -0.667395 1.693452 2.047975 2.054847 2.459904 2.460163 2.460900 2.464979 2.051578 2.045277 2.051396 2.048718 2.057569 2.464779 -0.855606 -0.819469 -0.931753 -0.854422 -0.784798 -0.980638 -0.786473 -0.880307 -0.881310 -0.888937 -0.884536 -0.783450 -0.880841 -0.784452 -0.979308 -0.887794 -0.846894 -0.772873 -0.938696 -0.778443 -0.773166 -0.941036 -0.858760 -0.764401 -0.770801 -0.848973 -0.859460 -0.939193 -0.602467 -0.609261 -0.625595 -0.635110 -0.634223 -0.623478 -0.605380 -0.611084 -0.606981 -0.601679 -0.601191 -0.624539 1.669695 2.43231186 1.35296119 -0.59628217 2.84643591 -1.76936432 -0.33787230 -3.25381942 2.78543808 0.77325813 -1.01607376 -386.9367 414.0587 -102.7456 -365.9762 -10.3108 -451.9106 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:53 Nodes: 1 Procs: 1 Jun10-2024 15:28:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:04 Nodes: 1 Procs: 1 Jun10-2024 15:29:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:21 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.53382868 -16.60011623 -16.60405443 -16.60580132 -16.60634921 -16.60694682 -16.60704307 -16.60715490 -16.60720613 -16.60727236 -16.60730864 -16.60733412 -16.60736893 -16.60740761 GEOMETRY CONVERGED