ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 13:33:54 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.02 0.40 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Mar06-2024 13:33:54 Nodes: 1 Procs: 1 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 13:33:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.04 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Mar06-2024 13:33:54 Nodes: 1 Procs: 1 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 0 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 13:33:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.02 0.81 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 Mar06-2024 13:33:54 Nodes: 1 Procs: 1 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 0 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar06-2024 13:33:56 Nodes: 1 Procs: 1 Mar06-2024 13:33:57 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 13:33:58 Hydrogen (TZP) kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.47 0.01 0.51 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 Mar06-2024 13:33:54 Nodes: 1 Procs: 1 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 0 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 Mar06-2024 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0.9442848E-14 GRAD(Rho)z -0.6548431E-14 Laplacian 0.3757676E-01 (-1/4)Del**2(Rho)) -0.9394190E-02 Diamond 0.1147802E-02 Metallicity 0.6583440E+00 Ellipticity -0.1459860E+01 Gb(Abramov) 0.7293562E-02 Vb(Abramov) -0.5192933E-02 Hb(Abramov) 0.2100629E-02 Ex_ueg -0.1295564E-02 Ec_ueg -0.3037039E-03 Delta_ex -0.1781623E-02 Delta_ec 0.6473412E-03 Delta_et -0.4324338E-02 Pxc 0.4265880E+01 Qxc -0.2752216E+01 3,+1 51 3 -1 -1.318849 2.667662 -1.601430 Rho 0.1282228E+00 |GRAD(Rho)| 0.1238678E-15 GRAD(Rho)x 0.4992751E-16 GRAD(Rho)y -0.1129400E-15 GRAD(Rho)z -0.9748502E-17 Laplacian 0.4850152E+00 (-1/4)Del**2(Rho)) -0.1212538E+00 Diamond 0.8171762E+00 Metallicity 0.4632334E+01 Ellipticity 0.1017789E+00 Gb(Abramov) 0.1744506E+00 Vb(Abramov) -0.2276473E+00 Hb(Abramov) -0.5319676E-01 Ex_ueg -0.4775352E-01 Ec_ueg -0.7064403E-02 Delta_ex -0.5017435E-01 Delta_ec 0.1285237E-01 Delta_et -0.1671827E+00 Pxc 0.6759739E+01 Qxc -0.3903898E+01 3,-1 52 3 +1 -1.097854 1.406925 -0.658834 Rho 0.1139053E-01 |GRAD(Rho)| 0.1966604E-16 GRAD(Rho)x 0.6314809E-17 GRAD(Rho)y -0.1432823E-16 GRAD(Rho)z -0.1189866E-16 Laplacian 0.4605582E-01 (-1/4)Del**2(Rho)) -0.1151395E-01 Diamond 0.1908031E-02 Metallicity 0.8627832E+00 Ellipticity -0.1606318E+01 Gb(Abramov) 0.9331644E-02 Vb(Abramov) -0.7149333E-02 Hb(Abramov) 0.2182310E-02 Ex_ueg -0.1892824E-02 Ec_ueg -0.4315072E-03 Delta_ex -0.2291802E-02 Delta_ec 0.7027970E-03 Delta_et -0.5120027E-02 Pxc 0.4386540E+01 Qxc -0.3260973E+01 3,+1 53 3 +1 0.962149 2.571753 -0.576324 Rho 0.2532017E-01 |GRAD(Rho)| 0.3340121E-13 GRAD(Rho)x 0.1451945E-13 GRAD(Rho)y -0.2506143E-13 GRAD(Rho)z -0.1663583E-13 Laplacian 0.9747436E-01 (-1/4)Del**2(Rho)) -0.2436859E-01 Diamond 0.1278067E-01 Metallicity 0.1543478E+01 Ellipticity -0.3627100E+01 Gb(Abramov) 0.2251446E-01 Vb(Abramov) -0.2066032E-01 Hb(Abramov) 0.1854134E-02 Ex_ueg -0.5491283E-02 Ec_ueg -0.1104848E-02 Delta_ex -0.6062396E-02 Delta_ec 0.1617233E-02 Delta_et -0.1432829E-01 Pxc 0.4970172E+01 Qxc -0.3748623E+01 3,+1 54 3 +3 -0.961744 0.724226 1.672081 Rho 0.4603298E-02 |GRAD(Rho)| 0.6817129E-17 GRAD(Rho)x -0.2890197E-18 GRAD(Rho)y -0.6806759E-17 GRAD(Rho)z 0.2403109E-18 Laplacian 0.1781115E-01 (-1/4)Del**2(Rho)) -0.4452788E-02 Diamond 0.1164262E-03 Metallicity 0.4928367E+00 Ellipticity -0.2701280E+00 Gb(Abramov) 0.3334275E-02 Vb(Abramov) -0.2215762E-02 Hb(Abramov) 0.1118513E-02 Ex_ueg -0.5655581E-03 Ec_ueg -0.1298813E-03 Delta_ex -0.6069877E-03 Delta_ec 0.8836519E-04 Delta_et -0.6607289E-03 Pxc 0.4354424E+01 Qxc -0.6869081E+01 3,+3 55 3 -1 -1.457556 2.609798 1.644929 Rho 0.2076320E+00 |GRAD(Rho)| 0.2233976E-10 GRAD(Rho)x -0.1968394E-10 GRAD(Rho)y -0.1031761E-10 GRAD(Rho)z -0.2270298E-11 Laplacian 0.7955713E+00 (-1/4)Del**2(Rho)) -0.1988928E+00 Diamond 0.2346643E+01 Metallicity 0.6306057E+01 Ellipticity 0.2760982E-01 Gb(Abramov) 0.3416335E+00 Vb(Abramov) -0.4843741E+00 Hb(Abramov) -0.1427406E+00 Ex_ueg -0.9080522E-01 Ec_ueg -0.1223038E-01 Delta_ex -0.9247124E-01 Delta_ec 0.1812429E-01 Delta_et -0.2484251E+00 Pxc 0.7424565E+01 Qxc -0.5102060E+01 3,-1 56 3 +1 -1.822642 2.433979 0.004936 Rho 0.6858413E-02 |GRAD(Rho)| 0.1164360E-11 GRAD(Rho)x -0.5894168E-12 GRAD(Rho)y -0.1004074E-11 GRAD(Rho)z -0.1260818E-13 Laplacian 0.2848395E-01 (-1/4)Del**2(Rho)) -0.7120986E-02 Diamond 0.7877864E-03 Metallicity 0.5989433E+00 Ellipticity -0.1780481E+01 Gb(Abramov) 0.5458169E-02 Vb(Abramov) -0.3795351E-02 Hb(Abramov) 0.1662818E-02 Ex_ueg -0.9623873E-03 Ec_ueg -0.2277441E-03 Delta_ex -0.1368178E-02 Delta_ec 0.6483256E-03 Delta_et -0.3965945E-02 Pxc 0.4225739E+01 Qxc -0.2110325E+01 3,+1 57 3 -1 -0.364295 -3.027277 -1.593534 Rho 0.1245447E+00 |GRAD(Rho)| 0.6507038E-15 GRAD(Rho)x 0.7630073E-17 GRAD(Rho)y -0.1168959E-15 GRAD(Rho)z -0.6400723E-15 Laplacian 0.4630254E+00 (-1/4)Del**2(Rho)) -0.1157563E+00 Diamond 0.7561011E+00 Metallicity 0.4622573E+01 Ellipticity 0.1120887E+00 Gb(Abramov) 0.1663529E+00 Vb(Abramov) -0.2169495E+00 Hb(Abramov) -0.5059658E-01 Ex_ueg -0.4593588E-01 Ec_ueg -0.6834526E-02 Delta_ex -0.4760191E-01 Delta_ec 0.1241799E-01 Delta_et -0.1608562E+00 Pxc 0.6721151E+01 Qxc -0.3833303E+01 3,-1 58 3 +1 -0.523444 -3.080404 0.085136 Rho 0.1445140E-01 |GRAD(Rho)| 0.3127819E-16 GRAD(Rho)x 0.8169584E-17 GRAD(Rho)y 0.7346743E-18 GRAD(Rho)z 0.3018350E-16 Laplacian 0.6402550E-01 (-1/4)Del**2(Rho)) -0.1600638E-01 Diamond 0.3406732E-02 Metallicity 0.9228049E+00 Ellipticity -0.1493082E+01 Gb(Abramov) 0.1313271E-01 Vb(Abramov) -0.1025905E-01 Hb(Abramov) 0.2873665E-02 Ex_ueg -0.2599749E-02 Ec_ueg -0.5738845E-03 Delta_ex -0.3327898E-02 Delta_ec 0.8693465E-03 Delta_et -0.6792736E-02 Pxc 0.4530092E+01 Qxc -0.3828046E+01 3,+1 59 3 +3 -0.798927 -1.750805 0.032069 Rho 0.3759354E-02 |GRAD(Rho)| 0.1503424E-15 GRAD(Rho)x -0.4088628E-16 GRAD(Rho)y 0.1445377E-15 GRAD(Rho)z 0.6325642E-17 Laplacian 0.1440856E-01 (-1/4)Del**2(Rho)) -0.3602140E-02 Diamond 0.1119005E-03 Metallicity 0.4346917E+00 Ellipticity -0.6323412E+00 Gb(Abramov) 0.2662397E-02 Vb(Abramov) -0.1722653E-02 Hb(Abramov) 0.9397432E-03 Ex_ueg -0.4317206E-03 Ec_ueg -0.9391979E-04 Delta_ex -0.5196831E-03 Delta_ec 0.1695529E-03 Delta_et -0.9624051E-03 Pxc 0.4596695E+01 Qxc -0.3065021E+01 3,+3 60 3 -1 -0.564968 -3.037653 1.609537 Rho 0.2049273E+00 |GRAD(Rho)| 0.7545664E-13 GRAD(Rho)x 0.4030760E-13 GRAD(Rho)y -0.5707202E-13 GRAD(Rho)z 0.2849187E-13 Laplacian 0.7791225E+00 (-1/4)Del**2(Rho)) -0.1947806E+00 Diamond 0.2267685E+01 Metallicity 0.6299997E+01 Ellipticity 0.1409902E-01 Gb(Abramov) 0.3343733E+00 Vb(Abramov) -0.4739659E+00 Hb(Abramov) -0.1395927E+00 Ex_ueg -0.8923147E-01 Ec_ueg -0.1204843E-01 Delta_ex -0.9029081E-01 Delta_ec 0.1787923E-01 Delta_et -0.2450828E+00 Pxc 0.7406068E+01 Qxc -0.5050038E+01 3,-1 61 3 +1 2.009154 -2.076673 0.321582 Rho 0.5710989E-02 |GRAD(Rho)| 0.1178937E-12 GRAD(Rho)x -0.5004110E-13 GRAD(Rho)y -0.9335363E-13 GRAD(Rho)z 0.5176792E-13 Laplacian 0.2361932E-01 (-1/4)Del**2(Rho)) -0.5904830E-02 Diamond 0.6011793E-03 Metallicity 0.5323509E+00 Ellipticity -0.2351786E+01 Gb(Abramov) 0.4460460E-02 Vb(Abramov) -0.3016091E-02 Hb(Abramov) 0.1444370E-02 Ex_ueg -0.7539343E-03 Ec_ueg -0.1776367E-03 Delta_ex -0.1160459E-02 Delta_ec 0.6639596E-03 Delta_et -0.3784253E-02 Pxc 0.4244248E+01 Qxc -0.1747786E+01 3,+1 62 3 -1 0.657592 -3.155836 0.880199 Rho 0.1466125E+00 |GRAD(Rho)| 0.3060279E-15 GRAD(Rho)x -0.6778974E-16 GRAD(Rho)y 0.3656302E-16 GRAD(Rho)z 0.2961769E-15 Laplacian 0.5966146E+00 (-1/4)Del**2(Rho)) -0.1491536E+00 Diamond 0.1166575E+01 Metallicity 0.4708376E+01 Ellipticity 0.1573484E-01 Gb(Abramov) 0.2164810E+00 Vb(Abramov) -0.2838084E+00 Hb(Abramov) -0.6732736E-01 Ex_ueg -0.5709699E-01 Ec_ueg -0.8227021E-02 Delta_ex -0.6361251E-01 Delta_ec 0.1504467E-01 Delta_et -0.1992313E+00 Pxc 0.6940177E+01 Qxc -0.4228242E+01 3,-1 63 3 -1 0.444482 -1.852358 1.568298 Rho 0.4814875E-01 |GRAD(Rho)| 0.8235461E-15 GRAD(Rho)x -0.6643246E-15 GRAD(Rho)y -0.4789078E-15 GRAD(Rho)z 0.8688208E-16 Laplacian 0.1845964E+00 (-1/4)Del**2(Rho)) -0.4614910E-01 Diamond 0.8944348E-01 Metallicity 0.2378839E+01 Ellipticity 0.1616762E-01 Gb(Abramov) 0.4906294E-01 Vb(Abramov) -0.5197678E-01 Hb(Abramov) -0.2913844E-02 Ex_ueg -0.1293695E-01 Ec_ueg -0.2312802E-02 Delta_ex -0.1507583E-01 Delta_ec 0.5545889E-02 Delta_et -0.5791650E-01 Pxc 0.5593624E+01 Qxc -0.2718379E+01 3,-1 64 3 +1 1.392619 -1.713825 1.747936 Rho 0.2120681E-01 |GRAD(Rho)| 0.1214438E-14 GRAD(Rho)x -0.4725405E-15 GRAD(Rho)y -0.1100286E-14 GRAD(Rho)z 0.2023264E-15 Laplacian 0.7655693E-01 (-1/4)Del**2(Rho)) -0.1913923E-01 Diamond 0.7464131E-02 Metallicity 0.1462472E+01 Ellipticity -0.2864566E+01 Gb(Abramov) 0.1742459E-01 Vb(Abramov) -0.1570994E-01 Hb(Abramov) 0.1714645E-02 Ex_ueg -0.4335298E-02 Ec_ueg -0.8996979E-03 Delta_ex -0.4487412E-02 Delta_ec 0.1173459E-02 Delta_et -0.9987277E-02 Pxc 0.4818615E+01 Qxc -0.3824088E+01 3,+1 65 3 +1 0.127623 1.024348 -1.514404 Rho 0.8601478E-02 |GRAD(Rho)| 0.3309738E-17 GRAD(Rho)x -0.9569872E-18 GRAD(Rho)y 0.2118864E-17 GRAD(Rho)z -0.2355623E-17 Laplacian 0.3371650E-01 (-1/4)Del**2(Rho)) -0.8429126E-02 Diamond 0.8917572E-03 Metallicity 0.7380046E+00 Ellipticity -0.1428078E+01 Gb(Abramov) 0.6656206E-02 Vb(Abramov) -0.4883287E-02 Hb(Abramov) 0.1772920E-02 Ex_ueg -0.1301615E-02 Ec_ueg -0.3050462E-03 Delta_ex -0.1535525E-02 Delta_ec 0.4657991E-03 Delta_et -0.3190882E-02 Pxc 0.4266943E+01 Qxc -0.3296540E+01 3,+1 66 3 +1 0.160036 0.905228 1.586347 Rho 0.9033632E-02 |GRAD(Rho)| 0.9057463E-17 GRAD(Rho)x -0.1640444E-17 GRAD(Rho)y 0.8572113E-17 GRAD(Rho)z 0.2421870E-17 Laplacian 0.3533084E-01 (-1/4)Del**2(Rho)) -0.8832709E-02 Diamond 0.9748362E-03 Metallicity 0.7642403E+00 Ellipticity -0.1423552E+01 Gb(Abramov) 0.7013525E-02 Vb(Abramov) -0.5194341E-02 Hb(Abramov) 0.1819184E-02 Ex_ueg -0.1389531E-02 Ec_ueg -0.3244235E-03 Delta_ex -0.1619025E-02 Delta_ec 0.4698527E-03 Delta_et -0.3274073E-02 Pxc 0.4283078E+01 Qxc -0.3445814E+01 3,+1 67 3 +1 -1.421280 1.197217 2.469021 Rho 0.8494095E-02 |GRAD(Rho)| 0.2056359E-16 GRAD(Rho)x 0.7079560E-17 GRAD(Rho)y -0.1602844E-16 GRAD(Rho)z 0.1076244E-16 Laplacian 0.3859307E-01 (-1/4)Del**2(Rho)) -0.9648268E-02 Diamond 0.1228731E-02 Metallicity 0.6313919E+00 Ellipticity -0.1478365E+01 Gb(Abramov) 0.7447485E-02 Vb(Abramov) -0.5246702E-02 Hb(Abramov) 0.2200783E-02 Ex_ueg -0.1279994E-02 Ec_ueg -0.3002441E-03 Delta_ex -0.1855239E-02 Delta_ec 0.7174582E-03 Delta_et -0.4745974E-02 Pxc 0.4263177E+01 Qxc -0.2585849E+01 3,+1 68 3 +1 -1.172790 -0.104368 1.619757 Rho 0.6673354E-02 |GRAD(Rho)| 0.5672481E-16 GRAD(Rho)x -0.4948828E-16 GRAD(Rho)y 0.1233185E-16 GRAD(Rho)z -0.2483021E-16 Laplacian 0.2648379E-01 (-1/4)Del**2(Rho)) -0.6620948E-02 Diamond 0.5794608E-03 Metallicity 0.6154696E+00 Ellipticity -0.1482744E+01 Gb(Abramov) 0.5093131E-02 Vb(Abramov) -0.3565313E-02 Hb(Abramov) 0.1527817E-02 Ex_ueg -0.9279202E-03 Ec_ueg -0.2196199E-03 Delta_ex -0.1184500E-02 Delta_ec 0.4601616E-03 Delta_et -0.2869298E-02 Pxc 0.4225119E+01 Qxc -0.2574095E+01 3,+1 69 3 -1 -2.076190 2.160176 0.015251 Rho 0.7120624E-02 |GRAD(Rho)| 0.4796356E-17 GRAD(Rho)x 0.1114159E-18 GRAD(Rho)y 0.1688250E-17 GRAD(Rho)z 0.4488032E-17 Laplacian 0.2778901E-01 (-1/4)Del**2(Rho)) -0.6947252E-02 Diamond 0.1149492E-02 Metallicity 0.6535371E+00 Ellipticity 0.7418474E+00 Gb(Abramov) 0.5388215E-02 Vb(Abramov) -0.3829179E-02 Hb(Abramov) 0.1559036E-02 Ex_ueg -0.1011756E-02 Ec_ueg -0.2392832E-03 Delta_ex -0.1543614E-02 Delta_ec 0.9852895E-03 Delta_et -0.5905983E-02 Pxc 0.4228279E+01 Qxc -0.1566660E+01 3,-1 70 3 +3 1.228183 1.038816 1.704553 Rho 0.4213014E-02 |GRAD(Rho)| 0.2432833E-14 GRAD(Rho)x 0.1134166E-14 GRAD(Rho)y -0.1152720E-14 GRAD(Rho)z 0.1817576E-14 Laplacian 0.1736892E-01 (-1/4)Del**2(Rho)) -0.4342230E-02 Diamond 0.1352792E-03 Metallicity 0.4360087E+00 Ellipticity -0.4591114E+00 Gb(Abramov) 0.3210362E-02 Vb(Abramov) -0.2078493E-02 Hb(Abramov) 0.1131868E-02 Ex_ueg -0.5025457E-03 Ec_ueg -0.1132044E-03 Delta_ex -0.6182463E-03 Delta_ec 0.1584045E-03 Delta_et -0.9765549E-03 Pxc 0.4439278E+01 Qxc -0.3902960E+01 3,+3 71 3 +1 0.632582 2.655727 0.826570 Rho 0.2544973E-01 |GRAD(Rho)| 0.3093037E-16 GRAD(Rho)x -0.1365073E-17 GRAD(Rho)y 0.2398208E-16 GRAD(Rho)z 0.1948549E-16 Laplacian 0.9611343E-01 (-1/4)Del**2(Rho)) -0.2402836E-01 Diamond 0.1149327E-01 Metallicity 0.1578705E+01 Ellipticity -0.2633868E+01 Gb(Abramov) 0.2234119E-01 Vb(Abramov) -0.2065401E-01 Hb(Abramov) 0.1687171E-02 Ex_ueg -0.5528779E-02 Ec_ueg -0.1111384E-02 Delta_ex -0.5858904E-02 Delta_ec 0.1367836E-02 Delta_et -0.1218452E-01 Pxc 0.4974680E+01 Qxc -0.4283340E+01 3,+1 72 3 +1 1.574983 1.302573 2.235975 Rho 0.5101639E-02 |GRAD(Rho)| 0.4851698E-15 GRAD(Rho)x 0.3125572E-15 GRAD(Rho)y 0.2717678E-15 GRAD(Rho)z -0.2526658E-15 Laplacian 0.2072304E-01 (-1/4)Del**2(Rho)) -0.5180760E-02 Diamond 0.4423214E-03 Metallicity 0.5027390E+00 Ellipticity -0.1990471E+01 Gb(Abramov) 0.3887935E-02 Vb(Abramov) -0.2595110E-02 Hb(Abramov) 0.1292825E-02 Ex_ueg -0.6486315E-03 Ec_ueg -0.1512894E-03 Delta_ex -0.9853526E-03 Delta_ec 0.5650849E-03 Delta_et -0.3122768E-02 Pxc 0.4287357E+01 Qxc -0.1743725E+01 3,+1 73 3 -1 0.532279 3.367355 -1.516678 Rho 0.1590121E+00 |GRAD(Rho)| 0.2632359E-13 GRAD(Rho)x -0.8383051E-14 GRAD(Rho)y -0.1863492E-13 GRAD(Rho)z -0.1659505E-13 Laplacian 0.6157880E+00 (-1/4)Del**2(Rho)) -0.1539470E+00 Diamond 0.1327720E+01 Metallicity 0.5222746E+01 Ellipticity 0.6606536E-01 Gb(Abramov) 0.2366357E+00 Vb(Abramov) -0.3193243E+00 Hb(Abramov) -0.8268867E-01 Ex_ueg -0.6362463E-01 Ec_ueg -0.9022892E-02 Delta_ex -0.6698969E-01 Delta_ec 0.1522022E-01 Delta_et -0.2037575E+00 Pxc 0.7051468E+01 Qxc -0.4401361E+01 3,-1 74 3 -1 0.442338 3.341679 1.513249 Rho 0.7854601E-01 |GRAD(Rho)| 0.6053047E-16 GRAD(Rho)x 0.2275130E-17 GRAD(Rho)y -0.9177602E-17 GRAD(Rho)z 0.5978740E-16 Laplacian 0.3107439E+00 (-1/4)Del**2(Rho)) -0.7768597E-01 Diamond 0.2856688E+00 Metallicity 0.3194607E+01 Ellipticity 0.1653830E-01 Gb(Abramov) 0.9315334E-01 Vb(Abramov) -0.1086207E+00 Hb(Abramov) -0.1546737E-01 Ex_ueg -0.2484376E-01 Ec_ueg -0.4044967E-02 Delta_ex -0.2858374E-01 Delta_ec 0.8997922E-02 Delta_et -0.1060847E+00 Pxc 0.6141894E+01 Qxc -0.3176705E+01 3,-1 75 3 +3 0.576883 3.345373 0.011883 Rho 0.1176194E-01 |GRAD(Rho)| 0.1819958E-17 GRAD(Rho)x 0.1679036E-17 GRAD(Rho)y 0.5428680E-18 GRAD(Rho)z 0.4453980E-18 Laplacian 0.5261211E-01 (-1/4)Del**2(Rho)) -0.1315303E-01 Diamond 0.1252902E-02 Metallicity 0.7967562E+00 Ellipticity -0.8279539E+00 Gb(Abramov) 0.1051531E-01 Vb(Abramov) -0.7877595E-02 Hb(Abramov) 0.2637717E-02 Ex_ueg -0.1975560E-02 Ec_ueg -0.4485903E-03 Delta_ex -0.2335606E-02 Delta_ec 0.2599605E-03 Delta_et -0.2268181E-02 Pxc 0.4403928E+01 Qxc -0.8984464E+01 3,+3 76 3 +1 0.610358 3.500541 0.001017 Rho 0.1180923E-01 |GRAD(Rho)| 0.1891896E-16 GRAD(Rho)x 0.6898112E-18 GRAD(Rho)y 0.8194675E-17 GRAD(Rho)z -0.1703815E-16 Laplacian 0.5354623E-01 (-1/4)Del**2(Rho)) -0.1338656E-01 Diamond 0.1634878E-02 Metallicity 0.7881096E+00 Ellipticity -0.1117932E+01 Gb(Abramov) 0.1068272E-01 Vb(Abramov) -0.7978877E-02 Hb(Abramov) 0.2703840E-02 Ex_ueg -0.1986157E-02 Ec_ueg -0.4507693E-03 Delta_ex -0.2483929E-02 Delta_ec 0.4504128E-03 Delta_et -0.3553694E-02 Pxc 0.4406149E+01 Qxc -0.5514783E+01 3,+1 77 3 -1 1.731990 -0.725396 1.617136 Rho 0.3599602E-01 |GRAD(Rho)| 0.1479993E-16 GRAD(Rho)x 0.1469179E-16 GRAD(Rho)y 0.4592639E-18 GRAD(Rho)z -0.1725830E-17 Laplacian 0.1391511E+00 (-1/4)Del**2(Rho)) -0.3478778E-01 Diamond 0.4507131E-01 Metallicity 0.1943348E+01 Ellipticity 0.4852037E-01 Gb(Abramov) 0.3445931E-01 Vb(Abramov) -0.3413084E-01 Hb(Abramov) 0.3284667E-03 Ex_ueg -0.8777907E-02 Ec_ueg -0.1656838E-02 Delta_ex -0.1055137E-01 Delta_ec 0.4149234E-02 Delta_et -0.4007246E-01 Pxc 0.5297988E+01 Qxc -0.2542969E+01 3,-1 78 3 +1 1.187470 -0.393057 2.456809 Rho 0.2378484E-01 |GRAD(Rho)| 0.5265974E-16 GRAD(Rho)x -0.1693160E-16 GRAD(Rho)y 0.2066469E-16 GRAD(Rho)z 0.4537995E-16 Laplacian 0.9116836E-01 (-1/4)Del**2(Rho)) -0.2279209E-01 Diamond 0.1136150E-01 Metallicity 0.1486857E+01 Ellipticity -0.4122871E+01 Gb(Abramov) 0.2084283E-01 Vb(Abramov) -0.1889356E-01 Hb(Abramov) 0.1949266E-02 Ex_ueg -0.5051868E-02 Ec_ueg -0.1027729E-02 Delta_ex -0.5621802E-02 Delta_ec 0.1594307E-02 Delta_et -0.1388953E-01 Pxc 0.4915563E+01 Qxc -0.3526173E+01 3,+1 79 3 +1 -1.289699 -0.069276 -1.574645 Rho 0.5882627E-02 |GRAD(Rho)| 0.1214876E-16 GRAD(Rho)x -0.2048442E-17 GRAD(Rho)y 0.2120706E-17 GRAD(Rho)z 0.1178554E-16 Laplacian 0.2413592E-01 (-1/4)Del**2(Rho)) -0.6033979E-02 Diamond 0.5179727E-03 Metallicity 0.5473119E+00 Ellipticity -0.1575951E+01 Gb(Abramov) 0.4573064E-02 Vb(Abramov) -0.3112149E-02 Hb(Abramov) 0.1460915E-02 Ex_ueg -0.7842963E-03 Ec_ueg -0.1850914E-03 Delta_ex -0.1102332E-02 Delta_ec 0.5165041E-03 Delta_et -0.3041499E-02 Pxc 0.4237346E+01 Qxc -0.2134217E+01 3,+1 80 3 -1 0.976580 -0.148202 -3.482273 Rho 0.7457147E-01 |GRAD(Rho)| 0.9939634E-16 GRAD(Rho)x -0.9876404E-16 GRAD(Rho)y 0.1112726E-16 GRAD(Rho)z -0.1216604E-17 Laplacian 0.2980728E+00 (-1/4)Del**2(Rho)) -0.7451820E-01 Diamond 0.2574773E+00 Metallicity 0.3054302E+01 Ellipticity 0.1961667E-01 Gb(Abramov) 0.8761232E-01 Vb(Abramov) -0.1007064E+00 Hb(Abramov) -0.1309412E-01 Ex_ueg -0.2318188E-01 Ec_ueg -0.3812478E-02 Delta_ex -0.2710388E-01 Delta_ec 0.8731498E-02 Delta_et -0.1017467E+00 Pxc 0.6080529E+01 Qxc -0.3104150E+01 3,-1 81 3 +1 1.129440 -0.381883 -2.491422 Rho 0.2466107E-01 |GRAD(Rho)| 0.6371694E-16 GRAD(Rho)x 0.1473718E-16 GRAD(Rho)y 0.1494704E-16 GRAD(Rho)z -0.6016020E-16 Laplacian 0.9544066E-01 (-1/4)Del**2(Rho)) -0.2386017E-01 Diamond 0.1245254E-01 Metallicity 0.1508573E+01 Ellipticity -0.4103852E+01 Gb(Abramov) 0.2190591E-01 Vb(Abramov) -0.1995166E-01 Hb(Abramov) 0.1954254E-02 Ex_ueg -0.5301528E-02 Ec_ueg -0.1071665E-02 Delta_ex -0.5936676E-02 Delta_ec 0.1659506E-02 Delta_et -0.1459024E-01 Pxc 0.4947001E+01 Qxc -0.3577376E+01 3,+1 82 3 -1 1.700055 -0.553172 -1.611273 Rho 0.3669974E-01 |GRAD(Rho)| 0.1918858E-15 GRAD(Rho)x 0.1877953E-15 GRAD(Rho)y 0.1657025E-16 GRAD(Rho)z -0.3575638E-16 Laplacian 0.1404403E+00 (-1/4)Del**2(Rho)) -0.3511008E-01 Diamond 0.4634032E-01 Metallicity 0.1988656E+01 Ellipticity 0.5239834E-01 Gb(Abramov) 0.3504370E-01 Vb(Abramov) -0.3497732E-01 Hb(Abramov) 0.6638113E-04 Ex_ueg -0.9007461E-02 Ec_ueg -0.1694091E-02 Delta_ex -0.1067639E-01 Delta_ec 0.4145116E-02 Delta_et -0.4024208E-01 Pxc 0.5316989E+01 Qxc -0.2575655E+01 3,-1 83 3 +1 1.584545 -0.636599 -0.017106 Rho 0.8527871E-02 |GRAD(Rho)| 0.1470003E-16 GRAD(Rho)x -0.2175339E-17 GRAD(Rho)y 0.1618738E-17 GRAD(Rho)z 0.1444778E-16 Laplacian 0.3290327E-01 (-1/4)Del**2(Rho)) -0.8225819E-02 Diamond 0.9047567E-03 Metallicity 0.7454898E+00 Ellipticity -0.1502119E+01 Gb(Abramov) 0.6505923E-02 Vb(Abramov) -0.4786028E-02 Hb(Abramov) 0.1719896E-02 Ex_ueg -0.1286785E-02 Ec_ueg -0.3017540E-03 Delta_ex -0.1515566E-02 Delta_ec 0.4908848E-03 Delta_et -0.3325205E-02 Pxc 0.4264350E+01 Qxc -0.3087417E+01 3,+1 84 3 +1 -1.171779 1.364404 0.718483 Rho 0.1081952E-01 |GRAD(Rho)| 0.1498006E-16 GRAD(Rho)x -0.1400886E-16 GRAD(Rho)y 0.2295517E-17 GRAD(Rho)z 0.4783793E-17 Laplacian 0.4335247E-01 (-1/4)Del**2(Rho)) -0.1083812E-01 Diamond 0.1347134E-02 Metallicity 0.8412904E+00 Ellipticity -0.1328333E+01 Gb(Abramov) 0.8745079E-02 Vb(Abramov) -0.6652041E-02 Hb(Abramov) 0.2093038E-02 Ex_ueg -0.1767376E-02 Ec_ueg -0.4053518E-03 Delta_ex -0.2020630E-02 Delta_ec 0.4678273E-03 Delta_et -0.3496477E-02 Pxc 0.4360104E+01 Qxc -0.4319180E+01 3,+1 85 3 -1 1.063840 -0.104370 3.470226 Rho 0.7891134E-01 |GRAD(Rho)| 0.1631862E-13 GRAD(Rho)x 0.3338614E-14 GRAD(Rho)y -0.1571280E-13 GRAD(Rho)z 0.2873818E-14 Laplacian 0.3155234E+00 (-1/4)Del**2(Rho)) -0.7888085E-01 Diamond 0.2920431E+00 Metallicity 0.3170643E+01 Ellipticity 0.1530348E-01 Gb(Abramov) 0.9427107E-01 Vb(Abramov) -0.1096613E+00 Hb(Abramov) -0.1539022E-01 Ex_ueg -0.2499794E-01 Ec_ueg -0.4066415E-02 Delta_ex -0.2906195E-01 Delta_ec 0.9141992E-02 Delta_et -0.1079068E+00 Pxc 0.6147416E+01 Qxc -0.3178951E+01 3,-1 86 3 +1 1.420666 0.742773 -0.844175 Rho 0.7945674E-02 |GRAD(Rho)| 0.1718939E-16 GRAD(Rho)x 0.1612931E-17 GRAD(Rho)y -0.1151055E-16 GRAD(Rho)z -0.1266415E-16 Laplacian 0.3070892E-01 (-1/4)Del**2(Rho)) -0.7677231E-02 Diamond 0.7408417E-03 Metallicity 0.7099588E+00 Ellipticity -0.1429234E+01 Gb(Abramov) 0.6026574E-02 Vb(Abramov) -0.4375916E-02 Hb(Abramov) 0.1650657E-02 Ex_ueg -0.1171007E-02 Ec_ueg -0.2757995E-03 Delta_ex -0.1376685E-02 Delta_ec 0.4348128E-03 Delta_et -0.2909678E-02 Pxc 0.4245862E+01 Qxc -0.3166155E+01 3,+1 87 3 +3 1.516677 -1.613110 -0.067828 Rho 0.4595981E-02 |GRAD(Rho)| 0.5197051E-17 GRAD(Rho)x -0.3224300E-17 GRAD(Rho)y 0.4032145E-17 GRAD(Rho)z 0.5958414E-18 Laplacian 0.1904929E-01 (-1/4)Del**2(Rho)) -0.4762323E-02 Diamond 0.1607698E-03 Metallicity 0.4595838E+00 Ellipticity -0.4184585E+00 Gb(Abramov) 0.3539663E-02 Vb(Abramov) -0.2317003E-02 Hb(Abramov) 0.1222660E-02 Ex_ueg -0.5643597E-03 Ec_ueg -0.1295679E-03 Delta_ex -0.6868434E-03 Delta_ec 0.1622527E-03 Delta_et -0.1037540E-02 Pxc 0.4355708E+01 Qxc -0.4233172E+01 3,+3 88 3 +1 0.570314 -1.718345 -0.053316 Rho 0.8211502E-02 |GRAD(Rho)| 0.2665667E-13 GRAD(Rho)x 0.2602298E-14 GRAD(Rho)y 0.1479802E-13 GRAD(Rho)z -0.2201874E-13 Laplacian 0.3262464E-01 (-1/4)Del**2(Rho)) -0.8156160E-02 Diamond 0.8332810E-03 Metallicity 0.7059465E+00 Ellipticity -0.1426012E+01 Gb(Abramov) 0.6397075E-02 Vb(Abramov) -0.4637991E-02 Hb(Abramov) 0.1759084E-02 Ex_ueg -0.1223532E-02 Ec_ueg -0.2876313E-03 Delta_ex -0.1479585E-02 Delta_ec 0.4706277E-03 Delta_et -0.3169145E-02 Pxc 0.4253819E+01 Qxc -0.3143853E+01 3,+1 89 3 +1 1.407977 1.762268 -1.997096 Rho 0.5633647E-02 |GRAD(Rho)| 0.4505431E-17 GRAD(Rho)x -0.3223019E-18 GRAD(Rho)y 0.4356515E-17 GRAD(Rho)z 0.1102637E-17 Laplacian 0.2335846E-01 (-1/4)Del**2(Rho)) -0.5839616E-02 Diamond 0.5595894E-03 Metallicity 0.5262010E+00 Ellipticity -0.1979161E+01 Gb(Abramov) 0.4405212E-02 Vb(Abramov) -0.2970809E-02 Hb(Abramov) 0.1434403E-02 Ex_ueg -0.7403514E-03 Ec_ueg -0.1742823E-03 Delta_ex -0.1125338E-02 Delta_ec 0.6225009E-03 Delta_et -0.3548901E-02 Pxc 0.4248001E+01 Qxc -0.1807770E+01 3,+1 90 3 +3 1.096043 1.198571 -1.604542 Rho 0.4565726E-02 |GRAD(Rho)| 0.2080605E-14 GRAD(Rho)x -0.6596940E-15 GRAD(Rho)y -0.1941487E-14 GRAD(Rho)z 0.3526302E-15 Laplacian 0.1883362E-01 (-1/4)Del**2(Rho)) -0.4708405E-02 Diamond 0.1565577E-03 Metallicity 0.4597577E+00 Ellipticity -0.4193601E+00 Gb(Abramov) 0.3499725E-02 Vb(Abramov) -0.2291044E-02 Hb(Abramov) 0.1208681E-02 Ex_ueg -0.5594116E-03 Ec_ueg -0.1282723E-03 Delta_ex -0.6768906E-03 Delta_ec 0.1585965E-03 Delta_et -0.1015338E-02 Pxc 0.4361124E+01 Qxc -0.4268005E+01 3,+3 91 3 +1 1.468702 1.204339 -2.267329 Rho 0.5687821E-02 |GRAD(Rho)| 0.4500192E-17 GRAD(Rho)x -0.3927979E-17 GRAD(Rho)y -0.2181747E-17 GRAD(Rho)z -0.2503645E-18 Laplacian 0.2344394E-01 (-1/4)Del**2(Rho)) -0.5860985E-02 Diamond 0.5855615E-03 Metallicity 0.5327120E+00 Ellipticity -0.2221967E+01 Gb(Abramov) 0.4427692E-02 Vb(Abramov) -0.2994400E-02 Hb(Abramov) 0.1433292E-02 Ex_ueg -0.7498590E-03 Ec_ueg -0.1766316E-03 Delta_ex -0.1144712E-02 Delta_ec 0.6480054E-03 Delta_et -0.3693795E-02 Pxc 0.4245328E+01 Qxc -0.1766515E+01 3,+1 92 3 +3 1.818181 0.385797 0.052375 Rho 0.4606935E-02 |GRAD(Rho)| 0.3969941E-14 GRAD(Rho)x 0.8533283E-15 GRAD(Rho)y 0.2683008E-14 GRAD(Rho)z 0.2798880E-14 Laplacian 0.1770476E-01 (-1/4)Del**2(Rho)) -0.4426189E-02 Diamond 0.1198127E-03 Metallicity 0.4964513E+00 Ellipticity -0.3954772E+00 Gb(Abramov) 0.3317024E-02 Vb(Abramov) -0.2207859E-02 Hb(Abramov) 0.1109165E-02 Ex_ueg -0.5661539E-03 Ec_ueg -0.1300370E-03 Delta_ex -0.6075903E-03 Delta_ec 0.9515424E-04 Delta_et -0.6926676E-03 Pxc 0.4353790E+01 Qxc -0.6385320E+01 3,+3 93 3 -1 1.882022 3.094029 -0.663012 Rho 0.9545388E-01 |GRAD(Rho)| 0.2260749E-15 GRAD(Rho)x 0.3745580E-16 GRAD(Rho)y -0.7043757E-16 GRAD(Rho)z 0.2115312E-15 Laplacian 0.3718766E+00 (-1/4)Del**2(Rho)) -0.9296915E-01 Diamond 0.4366429E+00 Metallicity 0.3694341E+01 Ellipticity 0.2602013E-01 Gb(Abramov) 0.1192227E+00 Vb(Abramov) -0.1454763E+00 Hb(Abramov) -0.2625357E-01 Ex_ueg -0.3221884E-01 Ec_ueg -0.5050497E-02 Delta_ex -0.3583992E-01 Delta_ec 0.1045603E-01 Delta_et -0.1286514E+00 Pxc 0.6379340E+01 Qxc -0.3427678E+01 3,-1 94 3 -1 1.884800 3.159371 0.766698 Rho 0.1689543E+00 |GRAD(Rho)| 0.1840069E-13 GRAD(Rho)x 0.1679973E-13 GRAD(Rho)y 0.3391127E-14 GRAD(Rho)z -0.6697388E-14 Laplacian 0.6412671E+00 (-1/4)Del**2(Rho)) -0.1603168E+00 Diamond 0.1491799E+01 Metallicity 0.5548679E+01 Ellipticity 0.6586543E-01 Gb(Abramov) 0.2551356E+00 Vb(Abramov) -0.3499544E+00 Hb(Abramov) -0.9481879E-01 Ex_ueg -0.6898331E-01 Ec_ueg -0.9667706E-02 Delta_ex -0.7086380E-01 Delta_ec 0.1567617E-01 Delta_et -0.2115909E+00 Pxc 0.7135437E+01 Qxc -0.4520478E+01 3,-1 95 3 -1 2.438520 -0.338508 -2.730759 Rho 0.1704968E+00 |GRAD(Rho)| 0.4791002E-13 GRAD(Rho)x -0.3804669E-14 GRAD(Rho)y 0.4396609E-13 GRAD(Rho)z -0.1865148E-13 Laplacian 0.6510685E+00 (-1/4)Del**2(Rho)) -0.1627671E+00 Diamond 0.1529394E+01 Metallicity 0.5548558E+01 Ellipticity 0.6051947E-01 Gb(Abramov) 0.2590319E+00 Vb(Abramov) -0.3552966E+00 Hb(Abramov) -0.9626476E-01 Ex_ueg -0.6982431E-01 Ec_ueg -0.9768268E-02 Delta_ex -0.7209530E-01 Delta_ec 0.1585094E-01 Delta_et -0.2140965E+00 Pxc 0.7148074E+01 Qxc -0.4548329E+01 3,-1 96 3 -1 2.495529 -0.397193 2.706528 Rho 0.1677895E+00 |GRAD(Rho)| 0.4893075E-11 GRAD(Rho)x -0.2399146E-11 GRAD(Rho)y 0.1777029E-11 GRAD(Rho)z 0.3876654E-11 Laplacian 0.6304503E+00 (-1/4)Del**2(Rho)) -0.1576126E+00 Diamond 0.1457120E+01 Metallicity 0.5579178E+01 Ellipticity 0.5012861E-01 Gb(Abramov) 0.2516332E+00 Vb(Abramov) -0.3456537E+00 Hb(Abramov) -0.9402058E-01 Ex_ueg -0.6834993E-01 Ec_ueg -0.9591860E-02 Delta_ex -0.6957060E-01 Delta_ec 0.1547942E-01 Delta_et -0.2088767E+00 Pxc 0.7125826E+01 Qxc -0.4494394E+01 3,-1 97 3 +1 2.953440 0.577139 -0.016753 Rho 0.1165027E-01 |GRAD(Rho)| 0.6107814E-14 GRAD(Rho)x -0.1392636E-14 GRAD(Rho)y 0.5907797E-14 GRAD(Rho)z 0.6810914E-15 Laplacian 0.5628399E-01 (-1/4)Del**2(Rho)) -0.1407100E-01 Diamond 0.2137022E-02 Metallicity 0.7330302E+00 Ellipticity -0.1268301E+01 Gb(Abramov) 0.1109974E-01 Vb(Abramov) -0.8128488E-02 Hb(Abramov) 0.2971255E-02 Ex_ueg -0.1950593E-02 Ec_ueg -0.4434486E-03 Delta_ex -0.2736516E-02 Delta_ec 0.7151852E-03 Delta_et -0.5335991E-02 Pxc 0.4398689E+01 Qxc -0.3826305E+01 3,+1 98 3 +1 1.450392 -1.475381 2.869617 Rho 0.1142132E-01 |GRAD(Rho)| 0.5972209E-17 GRAD(Rho)x 0.4132245E-18 GRAD(Rho)y -0.5929393E-17 GRAD(Rho)z -0.5820869E-18 Laplacian 0.5033314E-01 (-1/4)Del**2(Rho)) -0.1258329E-01 Diamond 0.1544656E-02 Metallicity 0.7930242E+00 Ellipticity -0.1168522E+01 Gb(Abramov) 0.1005200E-01 Vb(Abramov) -0.7520712E-02 Hb(Abramov) 0.2531287E-02 Ex_ueg -0.1899650E-02 Ec_ueg -0.4329215E-03 Delta_ex -0.2337144E-02 Delta_ec 0.4659127E-03 Delta_et -0.3599197E-02 Pxc 0.4387977E+01 Qxc -0.5016270E+01 3,+1 99 3 -1 0.557400 -1.810420 -1.622256 Rho 0.4096388E-01 |GRAD(Rho)| 0.8757954E-16 GRAD(Rho)x -0.3225435E-17 GRAD(Rho)y 0.8062758E-16 GRAD(Rho)z 0.3404358E-16 Laplacian 0.1612212E+00 (-1/4)Del**2(Rho)) -0.4030531E-01 Diamond 0.6266174E-01 Metallicity 0.2080620E+01 Ellipticity 0.8097726E-02 Gb(Abramov) 0.4084688E-01 Vb(Abramov) -0.4138845E-01 Hb(Abramov) -0.5415702E-03 Ex_ueg -0.1042925E-01 Ec_ueg -0.1921844E-02 Delta_ex -0.1264435E-01 Delta_ec 0.4844185E-02 Delta_et -0.4845681E-01 Pxc 0.5426692E+01 Qxc -0.2610212E+01 3,-1 100 3 +1 -1.196973 -1.505825 -0.592008 Rho 0.4689622E-02 |GRAD(Rho)| 0.7563382E-17 GRAD(Rho)x 0.9690057E-18 GRAD(Rho)y 0.7155734E-17 GRAD(Rho)z 0.2249720E-17 Laplacian 0.1890863E-01 (-1/4)Del**2(Rho)) -0.4727157E-02 Diamond 0.3877468E-03 Metallicity 0.4788318E+00 Ellipticity -0.2414230E+01 Gb(Abramov) 0.3528690E-02 Vb(Abramov) -0.2330223E-02 Hb(Abramov) 0.1198467E-02 Ex_ueg -0.5797431E-03 Ec_ueg -0.1335805E-03 Delta_ex -0.9116170E-03 Delta_ec 0.5650568E-03 Delta_et -0.3022555E-02 Pxc 0.4340027E+01 Qxc -0.1613319E+01 3,+1 101 3 -1 -1.396883 -1.557238 -0.516931 Rho 0.4728384E-02 |GRAD(Rho)| 0.1016790E-16 GRAD(Rho)x -0.2808973E-17 GRAD(Rho)y 0.9486769E-17 GRAD(Rho)z 0.2344587E-17 Laplacian 0.1884363E-01 (-1/4)Del**2(Rho)) -0.4710908E-02 Diamond 0.4956365E-03 Metallicity 0.4871205E+00 Ellipticity 0.7350268E+00 Gb(Abramov) 0.3523069E-02 Vb(Abramov) -0.2335229E-02 Hb(Abramov) 0.1187839E-02 Ex_ueg -0.5861409E-03 Ec_ueg -0.1352428E-03 Delta_ex -0.1014901E-02 Delta_ec 0.7505121E-03 Delta_et -0.3944175E-02 Pxc 0.4333988E+01 Qxc -0.1352278E+01 3,-1 102 3 +1 -0.321884 2.816847 0.058097 Rho 0.2560225E-01 |GRAD(Rho)| 0.7221944E-16 GRAD(Rho)x 0.3984214E-16 GRAD(Rho)y -0.5773887E-16 GRAD(Rho)z 0.1716025E-16 Laplacian 0.9697877E-01 (-1/4)Del**2(Rho)) -0.2424469E-01 Diamond 0.1320771E-01 Metallicity 0.1580277E+01 Ellipticity -0.4826675E+01 Gb(Abramov) 0.2254868E-01 Vb(Abramov) -0.2085268E-01 Hb(Abramov) 0.1696008E-02 Ex_ueg -0.5573002E-02 Ec_ueg -0.1119084E-02 Delta_ex -0.6080723E-02 Delta_ec 0.1664703E-02 Delta_et -0.1477619E-01 Pxc 0.4979967E+01 Qxc -0.3652738E+01 3,+1 103 3 +1 0.283743 -1.335263 -2.442003 Rho 0.2579180E-01 |GRAD(Rho)| 0.3767821E-16 GRAD(Rho)x -0.1155697E-16 GRAD(Rho)y -0.1334280E-16 GRAD(Rho)z -0.3328744E-16 Laplacian 0.1017807E+00 (-1/4)Del**2(Rho)) -0.2544518E-01 Diamond 0.1475139E-01 Metallicity 0.1524347E+01 Ellipticity -0.5778632E+01 Gb(Abramov) 0.2342800E-01 Vb(Abramov) -0.2141082E-01 Hb(Abramov) 0.2017180E-02 Ex_ueg -0.5628084E-02 Ec_ueg -0.1128662E-02 Delta_ex -0.6472349E-02 Delta_ec 0.1886306E-02 Delta_et -0.1674458E-01 Pxc 0.4986509E+01 Qxc -0.3431229E+01 3,+1 104 3 -1 -0.011744 -1.143025 -3.485880 Rho 0.9431816E-01 |GRAD(Rho)| 0.2822166E-15 GRAD(Rho)x 0.4425408E-16 GRAD(Rho)y -0.2783825E-15 GRAD(Rho)z 0.1381998E-16 Laplacian 0.3619412E+00 (-1/4)Del**2(Rho)) -0.9048531E-01 Diamond 0.4218842E+00 Metallicity 0.3720780E+01 Ellipticity 0.2445044E-01 Gb(Abramov) 0.1164362E+00 Vb(Abramov) -0.1423871E+00 Hb(Abramov) -0.2595088E-01 Ex_ueg -0.3170873E-01 Ec_ueg -0.4982171E-02 Delta_ex -0.3484152E-01 Delta_ec 0.1030240E-01 Delta_et -0.1265609E+00 Pxc 0.6364440E+01 Qxc -0.3381883E+01 3,-1 105 3 +1 1.581473 -1.379530 -1.714874 Rho 0.2260773E-01 |GRAD(Rho)| 0.1022534E-13 GRAD(Rho)x 0.3061425E-14 GRAD(Rho)y 0.6634528E-14 GRAD(Rho)z -0.7153204E-14 Laplacian 0.8402471E-01 (-1/4)Del**2(Rho)) -0.2100618E-01 Diamond 0.9141704E-02 Metallicity 0.1482408E+01 Ellipticity -0.3095848E+01 Gb(Abramov) 0.1919407E-01 Vb(Abramov) -0.1738197E-01 Hb(Abramov) 0.1812106E-02 Ex_ueg -0.4721293E-02 Ec_ueg -0.9690380E-03 Delta_ex -0.5034738E-02 Delta_ec 0.1331079E-02 Delta_et -0.1149031E-01 Pxc 0.4872145E+01 Qxc -0.3782449E+01 3,+1 106 3 -1 0.074561 -1.133495 3.533075 Rho 0.1334913E+00 |GRAD(Rho)| 0.2172561E-14 GRAD(Rho)x -0.2750435E-15 GRAD(Rho)y 0.2140080E-14 GRAD(Rho)z 0.2538342E-15 Laplacian 0.5031025E+00 (-1/4)Del**2(Rho)) -0.1257756E+00 Diamond 0.8933212E+00 Metallicity 0.4775788E+01 Ellipticity 0.4530342E-01 Gb(Abramov) 0.1839634E+00 Vb(Abramov) -0.2421511E+00 Hb(Abramov) -0.5818774E-01 Ex_ueg -0.5038745E-01 Ec_ueg -0.7395251E-02 Delta_ex -0.5259550E-01 Delta_ec 0.1327999E-01 Delta_et -0.1740253E+00 Pxc 0.6813488E+01 Qxc -0.3960507E+01 3,-1 107 3 -1 0.175246 -0.351017 -2.399054 Rho 0.5458762E-01 |GRAD(Rho)| 0.4866892E-15 GRAD(Rho)x 0.9997128E-16 GRAD(Rho)y -0.1022919E-15 GRAD(Rho)z -0.4651973E-15 Laplacian 0.2089661E+00 (-1/4)Del**2(Rho)) -0.5224152E-01 Diamond 0.1204116E+00 Metallicity 0.2590365E+01 Ellipticity 0.1589797E-01 Gb(Abramov) 0.5738178E-01 Vb(Abramov) -0.6252203E-01 Hb(Abramov) -0.5140258E-02 Ex_ueg -0.1529363E-01 Ec_ueg -0.2669987E-02 Delta_ex -0.1762659E-01 Delta_ec 0.6294373E-02 Delta_et -0.6792695E-01 Pxc 0.5727980E+01 Qxc -0.2800372E+01 3,-1 108 3 -1 0.237793 -0.409328 2.418897 Rho 0.4895652E-01 |GRAD(Rho)| 0.3323255E-16 GRAD(Rho)x 0.2903470E-16 GRAD(Rho)y -0.1554295E-16 GRAD(Rho)z -0.4450311E-17 Laplacian 0.1873745E+00 (-1/4)Del**2(Rho)) -0.4684363E-01 Diamond 0.9273998E-01 Metallicity 0.2409463E+01 Ellipticity 0.5673286E-02 Gb(Abramov) 0.5004041E-01 Vb(Abramov) -0.5323720E-01 Hb(Abramov) -0.3196788E-02 Ex_ueg -0.1322714E-01 Ec_ueg -0.2357276E-02 Delta_ex -0.1536112E-01 Delta_ec 0.5618674E-02 Delta_et -0.5893117E-01 Pxc 0.5611195E+01 Qxc -0.2733939E+01 3,-1 109 3 -1 -0.147066 0.019908 -4.451642 Rho 0.2122792E+00 |GRAD(Rho)| 0.1174999E-16 GRAD(Rho)x -0.1510260E-17 GRAD(Rho)y -0.7596191E-17 GRAD(Rho)z 0.8836248E-17 Laplacian 0.7942867E+00 (-1/4)Del**2(Rho)) -0.1985717E+00 Diamond 0.2423180E+01 Metallicity 0.6553626E+01 Ellipticity 0.1655817E-01 Gb(Abramov) 0.3492752E+00 Vb(Abramov) -0.4999787E+00 Hb(Abramov) -0.1507035E+00 Ex_ueg -0.9352514E-01 Ec_ueg -0.1254394E-01 Delta_ex -0.9295722E-01 Delta_ec 0.1817454E-01 Delta_et -0.2501958E+00 Pxc 0.7455801E+01 Qxc -0.5114694E+01 3,-1 110 3 -1 0.170934 -0.254175 -0.559449 Rho 0.1425651E+00 |GRAD(Rho)| 0.8554822E-12 GRAD(Rho)x -0.3268535E-12 GRAD(Rho)y 0.3491065E-12 GRAD(Rho)z 0.7093245E-12 Laplacian 0.7620058E+00 (-1/4)Del**2(Rho)) -0.1905014E+00 Diamond 0.1750630E+01 Metallicity 0.3518387E+01 Ellipticity 0.1369899E-01 Gb(Abramov) 0.2387106E+00 Vb(Abramov) -0.2869198E+00 Hb(Abramov) -0.4820916E-01 Ex_ueg -0.5500507E-01 Ec_ueg -0.7969286E-02 Delta_ex -0.8399496E-01 Delta_ec 0.2524741E-01 Delta_et -0.3457895E+00 Pxc 0.6902133E+01 Qxc -0.3326875E+01 3,-1 111 3 -1 -1.820176 0.137448 1.682021 Rho 0.8562052E-02 |GRAD(Rho)| 0.8630874E-15 GRAD(Rho)x -0.1512148E-15 GRAD(Rho)y -0.8326707E-15 GRAD(Rho)z 0.1694506E-15 Laplacian 0.3309427E-01 (-1/4)Del**2(Rho)) -0.8273567E-02 Diamond 0.1991212E-02 Metallicity 0.7461455E+00 Ellipticity 0.5464458E+00 Gb(Abramov) 0.6544592E-02 Vb(Abramov) -0.4815617E-02 Hb(Abramov) 0.1728975E-02 Ex_ueg -0.1293666E-02 Ec_ueg -0.3032826E-03 Delta_ex -0.2013690E-02 Delta_ec 0.1364656E-02 Delta_et -0.8585419E-02 Pxc 0.4265548E+01 Qxc -0.1475603E+01 3,-1 112 3 -1 0.776388 -3.145402 -0.890945 Rho 0.1110608E+00 |GRAD(Rho)| 0.9125033E-13 GRAD(Rho)x -0.1680563E-13 GRAD(Rho)y -0.3704926E-13 GRAD(Rho)z 0.8167953E-13 Laplacian 0.4533361E+00 (-1/4)Del**2(Rho)) -0.1133340E+00 Diamond 0.6365857E+00 Metallicity 0.3900565E+01 Ellipticity 0.1182219E-01 Gb(Abramov) 0.1492338E+00 Vb(Abramov) -0.1851336E+00 Hb(Abramov) -0.3589978E-01 Ex_ueg -0.3942752E-01 Ec_ueg -0.5999814E-02 Delta_ex -0.4523106E-01 Delta_ec 0.1226176E-01 Delta_et -0.1552879E+00 Pxc 0.6571457E+01 Qxc -0.3688791E+01 3,-1 113 3 +1 -1.415461 -1.738238 0.093627 Rho 0.4136254E-02 |GRAD(Rho)| 0.1264496E-15 GRAD(Rho)x -0.3181996E-16 GRAD(Rho)y 0.9421717E-16 GRAD(Rho)z 0.7810321E-16 Laplacian 0.1565417E-01 (-1/4)Del**2(Rho)) -0.3913543E-02 Diamond 0.2276219E-03 Metallicity 0.4691681E+00 Ellipticity -0.1657633E+01 Gb(Abramov) 0.2915047E-02 Vb(Abramov) -0.1916551E-02 Hb(Abramov) 0.9984961E-03 Ex_ueg -0.4903747E-03 Ec_ueg -0.1099338E-03 Delta_ex -0.6845901E-03 Delta_ec 0.3748241E-03 Delta_et -0.1971243E-02 Pxc 0.4460636E+01 Qxc -0.1826430E+01 3,+1 114 3 -1 1.566801 -2.697141 -1.985610 Rho 0.1515805E+00 |GRAD(Rho)| 0.1560263E-13 GRAD(Rho)x -0.1656580E-14 GRAD(Rho)y 0.1475048E-13 GRAD(Rho)z 0.4808464E-14 Laplacian 0.5987335E+00 (-1/4)Del**2(Rho)) -0.1496834E+00 Diamond 0.1216872E+01 Metallicity 0.4959661E+01 Ellipticity 0.6781845E-01 Gb(Abramov) 0.2235187E+00 Vb(Abramov) -0.2973541E+00 Hb(Abramov) -0.7383535E-01 Ex_ueg -0.5969111E-01 Ec_ueg -0.8544768E-02 Delta_ex -0.6434809E-01 Delta_ec 0.1494415E-01 Delta_et -0.1987385E+00 Pxc 0.6985691E+01 Qxc -0.4305906E+01 3,-1 115 3 -1 1.460726 -2.742118 2.000070 Rho 0.6800600E-01 |GRAD(Rho)| 0.1544481E-13 GRAD(Rho)x 0.4120781E-14 GRAD(Rho)y 0.1485994E-13 GRAD(Rho)z -0.8623052E-15 Laplacian 0.2710677E+00 (-1/4)Del**2(Rho)) -0.6776693E-01 Diamond 0.2080278E+00 Metallicity 0.2880364E+01 Ellipticity 0.1028560E-01 Gb(Abramov) 0.7771019E-01 Vb(Abramov) -0.8765345E-01 Hb(Abramov) -0.9943261E-02 Ex_ueg -0.2050130E-01 Ec_ueg -0.3432024E-02 Delta_ex -0.2410903E-01 Delta_ec 0.8020840E-02 Delta_et -0.9143695E-01 Pxc 0.5973529E+01 Qxc -0.3005799E+01 3,-1 116 3 -1 0.345490 -2.538061 -2.747749 Rho 0.1605654E+00 |GRAD(Rho)| 0.1302365E-12 GRAD(Rho)x 0.3770301E-13 GRAD(Rho)y -0.7824140E-13 GRAD(Rho)z 0.9704802E-13 Laplacian 0.6226119E+00 (-1/4)Del**2(Rho)) -0.1556530E+00 Diamond 0.1364771E+01 Metallicity 0.5249876E+01 Ellipticity 0.7699975E-01 Gb(Abramov) 0.2399618E+00 Vb(Abramov) -0.3242706E+00 Hb(Abramov) -0.8430880E-01 Ex_ueg -0.6445466E-01 Ec_ueg -0.9123247E-02 Delta_ex -0.6795561E-01 Delta_ec 0.1545761E-01 Delta_et -0.2074616E+00 Pxc 0.7064882E+01 Qxc -0.4396255E+01 3,-1 117 3 +1 1.395186 -1.481522 -2.864877 Rho 0.1167537E-01 |GRAD(Rho)| 0.7505246E-17 GRAD(Rho)x -0.5084264E-17 GRAD(Rho)y 0.4164902E-17 GRAD(Rho)z -0.3623888E-17 Laplacian 0.5277033E-01 (-1/4)Del**2(Rho)) -0.1319258E-01 Diamond 0.1688464E-02 Metallicity 0.7846467E+00 Ellipticity -0.1172351E+01 Gb(Abramov) 0.1052031E-01 Vb(Abramov) -0.7848033E-02 Hb(Abramov) 0.2672275E-02 Ex_ueg -0.1956196E-02 Ec_ueg -0.4446035E-03 Delta_ex -0.2470903E-02 Delta_ec 0.4987152E-03 Delta_et -0.3859680E-02 Pxc 0.4399866E+01 Qxc -0.4954538E+01 3,+1 118 3 +1 2.028574 -2.092957 -0.240795 Rho 0.5673501E-02 |GRAD(Rho)| 0.7296800E-14 GRAD(Rho)x 0.4321480E-14 GRAD(Rho)y 0.2941021E-14 GRAD(Rho)z 0.5091021E-14 Laplacian 0.2371950E-01 (-1/4)Del**2(Rho)) -0.5929876E-02 Diamond 0.5995821E-03 Metallicity 0.5243156E+00 Ellipticity -0.2184546E+01 Gb(Abramov) 0.4471438E-02 Vb(Abramov) -0.3013001E-02 Hb(Abramov) 0.1458438E-02 Ex_ueg -0.7473429E-03 Ec_ueg -0.1760104E-03 Delta_ex -0.1164743E-02 Delta_ec 0.6684334E-03 Delta_et -0.3801599E-02 Pxc 0.4246014E+01 Qxc -0.1742497E+01 3,+1 119 3 -1 2.010122 -2.075182 0.062892 Rho 0.5771302E-02 |GRAD(Rho)| 0.2241798E-15 GRAD(Rho)x -0.1213109E-15 GRAD(Rho)y -0.8886684E-16 GRAD(Rho)z -0.1662616E-15 Laplacian 0.2321921E-01 (-1/4)Del**2(Rho)) -0.5804804E-02 Diamond 0.7693421E-03 Metallicity 0.5510893E+00 Ellipticity 0.1980781E+01 Gb(Abramov) 0.4403030E-02 Vb(Abramov) -0.3001256E-02 Hb(Abramov) 0.1401774E-02 Ex_ueg -0.7645692E-03 Ec_ueg -0.1802546E-03 Delta_ex -0.1273572E-02 Delta_ec 0.8853809E-03 Delta_et -0.4958526E-02 Pxc 0.4241607E+01 Qxc -0.1438445E+01 3,-1 120 3 -1 2.651685 -1.494546 -1.968688 Rho 0.1051238E+00 |GRAD(Rho)| 0.2266504E-15 GRAD(Rho)x 0.7255684E-17 GRAD(Rho)y 0.2262391E-15 GRAD(Rho)z 0.1155946E-16 Laplacian 0.4079793E+00 (-1/4)Del**2(Rho)) -0.1019948E+00 Diamond 0.5387884E+00 Metallicity 0.3954974E+01 Ellipticity 0.2176684E-01 Gb(Abramov) 0.1352277E+00 Vb(Abramov) -0.1684606E+00 Hb(Abramov) -0.3323288E-01 Ex_ueg -0.3664263E-01 Ec_ueg -0.5636467E-02 Delta_ex -0.4022335E-01 Delta_ec 0.1124692E-01 Delta_et -0.1410753E+00 Pxc 0.6500992E+01 Qxc -0.3576388E+01 3,-1 121 3 -1 2.955353 0.323376 1.592211 Rho 0.7576447E-01 |GRAD(Rho)| 0.5728839E-16 GRAD(Rho)x 0.5692570E-16 GRAD(Rho)y 0.3405072E-17 GRAD(Rho)z -0.5461668E-17 Laplacian 0.3157072E+00 (-1/4)Del**2(Rho)) -0.7892681E-01 Diamond 0.2801878E+00 Metallicity 0.2960997E+01 Ellipticity 0.1118521E-01 Gb(Abramov) 0.9156821E-01 Vb(Abramov) -0.1042096E+00 Hb(Abramov) -0.1264140E-01 Ex_ueg -0.2367768E-01 Ec_ueg -0.3882095E-02 Delta_ex -0.2886382E-01 Delta_ec 0.9314417E-02 Delta_et -0.1090047E+00 Pxc 0.6099202E+01 Qxc -0.3098833E+01 3,-1 122 3 -1 2.882999 0.476080 -1.595727 Rho 0.1571569E+00 |GRAD(Rho)| 0.1167033E-15 GRAD(Rho)x 0.7775593E-16 GRAD(Rho)y -0.3217370E-16 GRAD(Rho)z -0.8086115E-16 Laplacian 0.6407046E+00 (-1/4)Del**2(Rho)) -0.1601761E+00 Diamond 0.1356193E+01 Metallicity 0.4922412E+01 Ellipticity 0.3211494E-01 Gb(Abramov) 0.2381929E+00 Vb(Abramov) -0.3162097E+00 Hb(Abramov) -0.7801677E-01 Ex_ueg -0.6263683E-01 Ec_ueg -0.8903224E-02 Delta_ex -0.6944228E-01 Delta_ec 0.1578442E-01 Delta_et -0.2107496E+00 Pxc 0.7035298E+01 Qxc -0.4399419E+01 3,-1 123 3 -1 1.442290 1.461331 -2.143497 Rho 0.5773821E-02 |GRAD(Rho)| 0.8412430E-16 GRAD(Rho)x -0.3954159E-16 GRAD(Rho)y -0.6601726E-16 GRAD(Rho)z 0.3398650E-16 Laplacian 0.2299212E-01 (-1/4)Del**2(Rho)) -0.5748029E-02 Diamond 0.7731404E-03 Metallicity 0.5569374E+00 Ellipticity 0.1609680E+01 Gb(Abramov) 0.4365568E-02 Vb(Abramov) -0.2983107E-02 Hb(Abramov) 0.1382461E-02 Ex_ueg -0.7650142E-03 Ec_ueg -0.1803640E-03 Delta_ex -0.1269553E-02 Delta_ec 0.8916046E-03 Delta_et -0.4989169E-02 Pxc 0.4241502E+01 Qxc -0.1423897E+01 3,-1 124 3 -1 -1.781924 0.100074 -1.591181 Rho 0.6493635E-02 |GRAD(Rho)| 0.1212229E-16 GRAD(Rho)x 0.1162975E-16 GRAD(Rho)y 0.2899156E-17 GRAD(Rho)z 0.1814861E-17 Laplacian 0.2521430E-01 (-1/4)Del**2(Rho)) -0.6303574E-02 Diamond 0.8827713E-03 Metallicity 0.6177026E+00 Ellipticity 0.4103638E+01 Gb(Abramov) 0.4851339E-02 Vb(Abramov) -0.3399103E-02 Hb(Abramov) 0.1452236E-02 Ex_ueg -0.8947511E-03 Ec_ueg -0.2117457E-03 Delta_ex -0.1350555E-02 Delta_ec 0.8489156E-03 Delta_et -0.4964380E-02 Pxc 0.4225594E+01 Qxc -0.1590917E+01 3,-1 125 3 +1 -1.797616 0.170434 -1.602960 Rho 0.6491317E-02 |GRAD(Rho)| 0.1287317E-16 GRAD(Rho)x -0.1305456E-19 GRAD(Rho)y 0.4394983E-17 GRAD(Rho)z 0.1209969E-16 Laplacian 0.2499891E-01 (-1/4)Del**2(Rho)) -0.6249728E-02 Diamond 0.7952235E-03 Metallicity 0.6226540E+00 Ellipticity -0.5883798E+01 Gb(Abramov) 0.4815055E-02 Vb(Abramov) -0.3380382E-02 Hb(Abramov) 0.1434673E-02 Ex_ueg -0.8943253E-03 Ec_ueg -0.2116442E-03 Delta_ex -0.1286745E-02 Delta_ec 0.7485019E-03 Delta_et -0.4410592E-02 Pxc 0.4225607E+01 Qxc -0.1719093E+01 3,+1 126 3 -1 -1.934445 1.023996 2.334410 Rho 0.1010846E-01 |GRAD(Rho)| 0.5900068E-17 GRAD(Rho)x -0.1461691E-17 GRAD(Rho)y 0.3336747E-17 GRAD(Rho)z -0.4641162E-17 Laplacian 0.3992584E-01 (-1/4)Del**2(Rho)) -0.9981459E-02 Diamond 0.2932123E-02 Metallicity 0.8156444E+00 Ellipticity 0.9501585E-01 Gb(Abramov) 0.8011193E-02 Vb(Abramov) -0.6040927E-02 Hb(Abramov) 0.1970266E-02 Ex_ueg -0.1614229E-02 Ec_ueg -0.3729686E-03 Delta_ex -0.2481901E-02 Delta_ec 0.1599502E-02 Delta_et -0.1059738E-01 Pxc 0.4328056E+01 Qxc -0.1551672E+01 3,-1 127 3 -1 -1.945243 0.919055 -2.278954 Rho 0.1028971E-01 |GRAD(Rho)| 0.1673189E-16 GRAD(Rho)x -0.4614645E-17 GRAD(Rho)y 0.1184453E-16 GRAD(Rho)z 0.1087972E-16 Laplacian 0.4083324E-01 (-1/4)Del**2(Rho)) -0.1020831E-01 Diamond 0.2957414E-02 Metallicity 0.8214945E+00 Ellipticity 0.3453004E+00 Gb(Abramov) 0.8203219E-02 Vb(Abramov) -0.6198127E-02 Hb(Abramov) 0.2005092E-02 Ex_ueg -0.1652936E-02 Ec_ueg -0.3812032E-03 Delta_ex -0.2506743E-02 Delta_ec 0.1563608E-02 Delta_et -0.1043492E-01 Pxc 0.4336102E+01 Qxc -0.1603178E+01 3,-1 128 3 +3 -0.984120 0.686408 -1.652984 Rho 0.4650884E-02 |GRAD(Rho)| 0.1156730E-15 GRAD(Rho)x 0.3334172E-16 GRAD(Rho)y -0.1050555E-15 GRAD(Rho)z 0.3509849E-16 Laplacian 0.1813942E-01 (-1/4)Del**2(Rho)) -0.4534855E-02 Diamond 0.1341227E-03 Metallicity 0.4922839E+00 Ellipticity -0.6511769E+00 Gb(Abramov) 0.3395309E-02 Vb(Abramov) -0.2255764E-02 Hb(Abramov) 0.1139546E-02 Ex_ueg -0.5733667E-03 Ec_ueg -0.1319200E-03 Delta_ex -0.6341041E-03 Delta_ec 0.1153237E-03 Delta_et -0.7984877E-03 Pxc 0.4346321E+01 Qxc -0.5498473E+01 3,+3 129 3 -1 -1.945194 0.884647 -0.744294 Rho 0.3636251E-01 |GRAD(Rho)| 0.1990004E-16 GRAD(Rho)x 0.2470809E-17 GRAD(Rho)y 0.9461783E-17 GRAD(Rho)z 0.1733151E-16 Laplacian 0.1056203E+00 (-1/4)Del**2(Rho)) -0.2640507E-01 Diamond 0.5163557E-01 Metallicity 0.2603888E+01 Ellipticity 0.2263787E-01 Gb(Abramov) 0.2906269E-01 Vb(Abramov) -0.3172030E-01 Hb(Abramov) -0.2657617E-02 Ex_ueg -0.8897272E-02 Ec_ueg -0.1676226E-02 Delta_ex -0.9145882E-02 Delta_ec 0.5143651E-02 Delta_et -0.4992168E-01 Pxc 0.5307918E+01 Qxc -0.1778092E+01 3,-1 130 3 -1 -2.060702 1.153779 1.007551 Rho 0.2927120E-01 |GRAD(Rho)| 0.8816532E-16 GRAD(Rho)x 0.4696063E-16 GRAD(Rho)y -0.6589880E-16 GRAD(Rho)z 0.3500244E-16 Laplacian 0.9606999E-01 (-1/4)Del**2(Rho)) -0.2401750E-01 Diamond 0.3358058E-01 Metallicity 0.1994158E+01 Ellipticity 0.4025724E-01 Gb(Abramov) 0.2399411E-01 Vb(Abramov) -0.2397073E-01 Hb(Abramov) 0.2338432E-04 Ex_ueg -0.6662528E-02 Ec_ueg -0.1306076E-02 Delta_ex -0.7814629E-02 Delta_ec 0.4453292E-02 Delta_et -0.4052347E-01 Pxc 0.5101178E+01 Qxc -0.1754798E+01 3,-1 131 3 +1 -1.908500 0.595632 1.799424 Rho 0.7749051E-02 |GRAD(Rho)| 0.1403012E-16 GRAD(Rho)x -0.1305893E-17 GRAD(Rho)y 0.1002940E-17 GRAD(Rho)z 0.1393316E-16 Laplacian 0.2872271E-01 (-1/4)Del**2(Rho)) -0.7180677E-02 Diamond 0.8445511E-03 Metallicity 0.7280066E+00 Ellipticity -0.1848199E+01 Gb(Abramov) 0.5658381E-02 Vb(Abramov) -0.4136086E-02 Hb(Abramov) 0.1522296E-02 Ex_ueg -0.1132530E-02 Ec_ueg -0.2670686E-03 Delta_ex -0.1370108E-02 Delta_ec 0.5683233E-03 Delta_et -0.3644088E-02 Pxc 0.4240595E+01 Qxc -0.2410790E+01 3,+1 132 3 +1 -2.056143 1.826940 0.034437 Rho 0.6927823E-02 |GRAD(Rho)| 0.9076583E-17 GRAD(Rho)x -0.4164801E-17 GRAD(Rho)y -0.4342266E-17 GRAD(Rho)z 0.6795845E-17 Laplacian 0.2760573E-01 (-1/4)Del**2(Rho)) -0.6901433E-02 Diamond 0.8072343E-03 Metallicity 0.6284564E+00 Ellipticity -0.2084773E+01 Gb(Abramov) 0.5323831E-02 Vb(Abramov) -0.3746228E-02 Hb(Abramov) 0.1577603E-02 Ex_ueg -0.9753955E-03 Ec_ueg -0.2307955E-03 Delta_ex -0.1348977E-02 Delta_ec 0.6640514E-03 Delta_et -0.4054891E-02 Pxc 0.4226233E+01 Qxc -0.2031434E+01 3,+1 133 3 -1 -0.046927 0.030904 4.494298 Rho 0.2137363E+00 |GRAD(Rho)| 0.6279853E-15 GRAD(Rho)x 0.8938739E-17 GRAD(Rho)y 0.1792728E-15 GRAD(Rho)z 0.6017864E-15 Laplacian 0.7989832E+00 (-1/4)Del**2(Rho)) -0.1997458E+00 Diamond 0.2455955E+01 Metallicity 0.6589809E+01 Ellipticity 0.1733862E-01 Gb(Abramov) 0.3525450E+00 Vb(Abramov) -0.5053442E+00 Hb(Abramov) -0.1527992E+00 Ex_ueg -0.9438209E-01 Ec_ueg -0.1264251E-01 Delta_ex -0.9366130E-01 Delta_ec 0.1822815E-01 Delta_et -0.2509731E+00 Pxc 0.7465456E+01 Qxc -0.5138277E+01 3,-1 134 3 -1 -0.755997 0.005523 0.019898 Rho 0.1300432E+00 |GRAD(Rho)| 0.1851546E-15 GRAD(Rho)x 0.1845696E-15 GRAD(Rho)y 0.1426978E-16 GRAD(Rho)z -0.3557663E-17 Laplacian 0.6259410E+00 (-1/4)Del**2(Rho)) -0.1564852E+00 Diamond 0.1288519E+01 Metallicity 0.3674733E+01 Ellipticity 0.7009129E-01 Gb(Abramov) 0.2001638E+00 Vb(Abramov) -0.2438423E+00 Hb(Abramov) -0.4367851E-01 Ex_ueg -0.4865960E-01 Ec_ueg -0.7178511E-02 Delta_ex -0.6757442E-01 Delta_ec 0.2117588E-01 Delta_et -0.2847077E+00 Pxc 0.6778509E+01 Qxc -0.3191103E+01 3,-1 135 3 -1 -0.042744 0.879303 -3.202084 Rho 0.1505643E+00 |GRAD(Rho)| 0.5136820E-15 GRAD(Rho)x -0.4588547E-16 GRAD(Rho)y -0.5014164E-15 GRAD(Rho)z -0.1017117E-15 Laplacian 0.6122724E+00 (-1/4)Del**2(Rho)) -0.1530681E+00 Diamond 0.1233297E+01 Metallicity 0.4795919E+01 Ellipticity 0.2712553E-01 Gb(Abramov) 0.2243958E+00 Vb(Abramov) -0.2957234E+00 Hb(Abramov) -0.7132766E-01 Ex_ueg -0.5915812E-01 Ec_ueg -0.8479647E-02 Delta_ex -0.6568336E-01 Delta_ec 0.1528877E-01 Delta_et -0.2030929E+00 Pxc 0.6976484E+01 Qxc -0.4296183E+01 3,-1 136 3 -1 0.076760 0.697703 0.030969 Rho 0.1365346E+00 |GRAD(Rho)| 0.1889972E-15 GRAD(Rho)x 0.9964250E-17 GRAD(Rho)y 0.1884932E-15 GRAD(Rho)z 0.9537665E-17 Laplacian 0.7081807E+00 (-1/4)Del**2(Rho)) -0.1770452E+00 Diamond 0.1533697E+01 Metallicity 0.3522684E+01 Ellipticity 0.7796935E-03 Gb(Abramov) 0.2219758E+00 Vb(Abramov) -0.2669065E+00 Hb(Abramov) -0.4493064E-01 Ex_ueg -0.5192487E-01 Ec_ueg -0.7587189E-02 Delta_ex -0.7716893E-01 Delta_ec 0.2346569E-01 Delta_et -0.3182796E+00 Pxc 0.6843755E+01 Qxc -0.3288586E+01 3,-1 137 3 -1 0.036471 0.867346 3.213828 Rho 0.1154385E+00 |GRAD(Rho)| 0.1344725E-15 GRAD(Rho)x 0.1467400E-16 GRAD(Rho)y 0.1219795E-15 GRAD(Rho)z 0.5466751E-16 Laplacian 0.4686216E+00 (-1/4)Del**2(Rho)) -0.1171554E+00 Diamond 0.6937592E+00 Metallicity 0.4024469E+01 Ellipticity 0.7418911E-02 Gb(Abramov) 0.1566850E+00 Vb(Abramov) -0.1962145E+00 Hb(Abramov) -0.3952958E-01 Ex_ueg -0.4151317E-01 Ec_ueg -0.6269398E-02 Delta_ex -0.4724836E-01 Delta_ec 0.1267308E-01 Delta_et -0.1617960E+00 Pxc 0.6621556E+01 Qxc -0.3728245E+01 3,-1 138 3 -1 0.184614 -0.284534 0.567330 Rho 0.1400452E+00 |GRAD(Rho)| 0.1337274E-11 GRAD(Rho)x -0.5441438E-12 GRAD(Rho)y 0.6358824E-12 GRAD(Rho)z -0.1043007E-11 Laplacian 0.7383200E+00 (-1/4)Del**2(Rho)) -0.1845800E+00 Diamond 0.1650420E+01 Metallicity 0.3524916E+01 Ellipticity 0.1127867E-01 Gb(Abramov) 0.2314915E+00 Vb(Abramov) -0.2784030E+00 Hb(Abramov) -0.4691149E-01 Ex_ueg -0.5371256E-01 Ec_ueg -0.7809339E-02 Delta_ex -0.8094411E-01 Delta_ec 0.2436655E-01 Delta_et -0.3322360E+00 Pxc 0.6877991E+01 Qxc -0.3321935E+01 3,-1 139 3 -1 -1.067623 -0.169198 -3.305687 Rho 0.2166279E+00 |GRAD(Rho)| 0.6138892E-15 GRAD(Rho)x 0.5628636E-15 GRAD(Rho)y 0.2327647E-16 GRAD(Rho)z -0.2439319E-15 Laplacian 0.8321032E+00 (-1/4)Del**2(Rho)) -0.2080258E+00 Diamond 0.2579897E+01 Metallicity 0.6470829E+01 Ellipticity 0.1585607E-01 Gb(Abramov) 0.3630338E+00 Vb(Abramov) -0.5180417E+00 Hb(Abramov) -0.1550080E+00 Ex_ueg -0.9608838E-01 Ec_ueg -0.1283845E-01 Delta_ex -0.9776329E-01 Delta_ec 0.1869899E-01 Delta_et -0.2568438E+00 Pxc 0.7484423E+01 Qxc -0.5228266E+01 3,-1 140 3 -1 -1.356671 -2.985765 0.247115 Rho 0.3740617E-01 |GRAD(Rho)| 0.1600414E-13 GRAD(Rho)x 0.1228714E-13 GRAD(Rho)y -0.3199300E-15 GRAD(Rho)z 0.1024969E-13 Laplacian 0.1129098E+00 (-1/4)Del**2(Rho)) -0.2822745E-01 Diamond 0.5709221E-01 Metallicity 0.2553409E+01 Ellipticity 0.1830113E-01 Gb(Abramov) 0.3083100E-01 Vb(Abramov) -0.3343455E-01 Hb(Abramov) -0.2603553E-02 Ex_ueg -0.9239378E-02 Ec_ueg -0.1731584E-02 Delta_ex -0.9820715E-02 Delta_ec 0.5468806E-02 Delta_et -0.5352266E-01 Pxc 0.5335794E+01 Qxc -0.1795770E+01 3,-1 141 3 +1 0.329940 -1.440414 2.384045 Rho 0.2776217E-01 |GRAD(Rho)| 0.2534615E-16 GRAD(Rho)x 0.1413781E-17 GRAD(Rho)y 0.1331173E-16 GRAD(Rho)z -0.2152269E-16 Laplacian 0.1109044E+00 (-1/4)Del**2(Rho)) -0.2772611E-01 Diamond 0.1769282E-01 Metallicity 0.1581563E+01 Ellipticity -0.7096050E+01 Gb(Abramov) 0.2579250E-01 Vb(Abramov) -0.2385890E-01 Hb(Abramov) 0.1933604E-02 Ex_ueg -0.6208540E-02 Ec_ueg -0.1228766E-02 Delta_ex -0.7182487E-02 Delta_ec 0.2039729E-02 Delta_et -0.1844422E-01 Pxc 0.5052664E+01 Qxc -0.3521294E+01 3,+1 142 3 -1 -0.974754 -0.138730 3.341739 Rho 0.2138303E+00 |GRAD(Rho)| 0.2507848E-13 GRAD(Rho)x 0.2387549E-13 GRAD(Rho)y 0.6576296E-15 GRAD(Rho)z 0.7645834E-14 Laplacian 0.8214297E+00 (-1/4)Del**2(Rho)) -0.2053574E+00 Diamond 0.2506194E+01 Metallicity 0.6414433E+01 Ellipticity 0.1667538E-01 Gb(Abramov) 0.3564469E+00 Vb(Abramov) -0.5075363E+00 Hb(Abramov) -0.1510894E+00 Ex_ueg -0.9443742E-01 Ec_ueg -0.1264887E-01 Delta_ex -0.9617875E-01 Delta_ec 0.1851519E-01 Delta_et -0.2540837E+00 Pxc 0.7466076E+01 Qxc -0.5194587E+01 3,-1 143 3 +3 1.353958 -1.400621 2.695321 Rho 0.1131458E-01 |GRAD(Rho)| 0.1595073E-15 GRAD(Rho)x -0.6111654E-16 GRAD(Rho)y 0.6578606E-16 GRAD(Rho)z -0.1318315E-15 Laplacian 0.4914219E-01 (-1/4)Del**2(Rho)) -0.1228555E-01 Diamond 0.1081412E-02 Metallicity 0.7996308E+00 Ellipticity -0.7220741E+00 Gb(Abramov) 0.9827681E-02 Vb(Abramov) -0.7369816E-02 Hb(Abramov) 0.2457865E-02 Ex_ueg -0.1876015E-02 Ec_ueg -0.4280209E-03 Delta_ex -0.2148668E-02 Delta_ec 0.2276010E-03 Delta_et -0.2007007E-02 Pxc 0.4383000E+01 Qxc -0.9440504E+01 3,+3 144 3 -1 1.335771 2.110951 0.094919 Rho 0.4752845E-01 |GRAD(Rho)| 0.4441815E-16 GRAD(Rho)x -0.4416938E-16 GRAD(Rho)y 0.3266159E-17 GRAD(Rho)z 0.3371906E-17 Laplacian 0.1847266E+00 (-1/4)Del**2(Rho)) -0.4618165E-01 Diamond 0.8812321E-01 Metallicity 0.2326340E+01 Ellipticity 0.1383929E-01 Gb(Abramov) 0.4869347E-01 Vb(Abramov) -0.5120529E-01 Hb(Abramov) -0.2511818E-02 Ex_ueg -0.1271520E-01 Ec_ueg -0.2278718E-02 Delta_ex -0.1504585E-01 Delta_ec 0.5565182E-02 Delta_et -0.5792333E-01 Pxc 0.5579980E+01 Qxc -0.2703568E+01 3,-1 145 3 -1 -0.737405 3.557929 0.812582 Rho 0.1084570E+00 |GRAD(Rho)| 0.2400709E-15 GRAD(Rho)x -0.2089037E-16 GRAD(Rho)y 0.3089976E-16 GRAD(Rho)z -0.2371557E-15 Laplacian 0.4177246E+00 (-1/4)Del**2(Rho)) -0.1044312E+00 Diamond 0.5743313E+00 Metallicity 0.4068984E+01 Ellipticity 0.3532966E-01 Gb(Abramov) 0.1404422E+00 Vb(Abramov) -0.1764533E+00 Hb(Abramov) -0.3601107E-01 Ex_ueg -0.3819989E-01 Ec_ueg -0.5840137E-02 Delta_ex -0.4151074E-01 Delta_ec 0.1147686E-01 Delta_et -0.1448751E+00 Pxc 0.6540923E+01 Qxc -0.3616907E+01 3,-1 146 3 -1 -0.786745 3.772338 2.311224 Rho 0.2148129E+00 |GRAD(Rho)| 0.1512989E-15 GRAD(Rho)x -0.2276825E-17 GRAD(Rho)y -0.6841316E-16 GRAD(Rho)z -0.1349290E-15 Laplacian 0.8028285E+00 (-1/4)Del**2(Rho)) -0.2007071E+00 Diamond 0.2481478E+01 Metallicity 0.6613391E+01 Ellipticity 0.1158808E-01 Gb(Abramov) 0.3550305E+00 Vb(Abramov) -0.5093539E+00 Hb(Abramov) -0.1543234E+00 Ex_ueg -0.9501644E-01 Ec_ueg -0.1271540E-01 Delta_ex -0.9422631E-01 Delta_ec 0.1827615E-01 Delta_et -0.2516601E+00 Pxc 0.7472547E+01 Qxc -0.5155698E+01 3,-1 147 3 -1 -0.680043 3.869972 -2.276671 Rho 0.2215562E+00 |GRAD(Rho)| 0.3581938E-15 GRAD(Rho)x 0.1810889E-15 GRAD(Rho)y -0.2847657E-15 GRAD(Rho)z 0.1200754E-15 Laplacian 0.8225184E+00 (-1/4)Del**2(Rho)) -0.2056296E+00 Diamond 0.2638005E+01 Metallicity 0.6796323E+01 Ellipticity 0.1234918E-02 Gb(Abramov) 0.3700073E+00 Vb(Abramov) -0.5343849E+00 Hb(Abramov) -0.1643777E+00 Ex_ueg -0.9901406E-01 Ec_ueg -0.1317347E-01 Delta_ex -0.9730767E-01 Delta_ec 0.1855397E-01 Delta_et -0.2559158E+00 Pxc 0.7516171E+01 Qxc -0.5244575E+01 3,-1 148 3 -1 -0.659057 3.635256 -0.783687 Rho 0.1483255E+00 |GRAD(Rho)| 0.3489271E-15 GRAD(Rho)x -0.5483014E-16 GRAD(Rho)y 0.5595161E-16 GRAD(Rho)z 0.3400194E-15 Laplacian 0.5658452E+00 (-1/4)Del**2(Rho)) -0.1414613E+00 Diamond 0.1129706E+01 Metallicity 0.5061451E+01 Ellipticity 0.6123864E-01 Gb(Abramov) 0.2136408E+00 Vb(Abramov) -0.2858202E+00 Hb(Abramov) -0.7217947E-01 Ex_ueg -0.5798816E-01 Ec_ueg -0.8336405E-02 Delta_ex -0.6058271E-01 Delta_ec 0.1436756E-01 Delta_et -0.1908937E+00 Pxc 0.6956015E+01 Qxc -0.4216631E+01 3,-1 149 3 -1 -0.083913 2.390183 -0.795652 Rho 0.4333381E-01 |GRAD(Rho)| 0.2613140E-14 GRAD(Rho)x 0.1420898E-18 GRAD(Rho)y 0.3742835E-15 GRAD(Rho)z 0.2586196E-14 Laplacian 0.1682271E+00 (-1/4)Del**2(Rho)) -0.4205677E-01 Diamond 0.6979071E-01 Metallicity 0.2189922E+01 Ellipticity 0.1727192E-01 Gb(Abramov) 0.4338802E-01 Vb(Abramov) -0.4471928E-01 Hb(Abramov) -0.1331253E-02 Ex_ueg -0.1124141E-01 Ec_ueg -0.2049848E-02 Delta_ex -0.1333816E-01 Delta_ec 0.4979265E-02 Delta_et -0.5055259E-01 Pxc 0.5484023E+01 Qxc -0.2678741E+01 3,-1 150 3 +3 1.290462 -1.373460 -2.683615 Rho 0.1152432E-01 |GRAD(Rho)| 0.2016103E-16 GRAD(Rho)x 0.3152062E-17 GRAD(Rho)y 0.1789024E-16 GRAD(Rho)z -0.8744761E-17 Laplacian 0.5108206E-01 (-1/4)Del**2(Rho)) -0.1277052E-01 Diamond 0.1126019E-02 Metallicity 0.7931776E+00 Ellipticity -0.6979305E+00 Gb(Abramov) 0.1020189E-01 Vb(Abramov) -0.7633268E-02 Hb(Abramov) 0.2568624E-02 Ex_ueg -0.1922526E-02 Ec_ueg -0.4376549E-03 Delta_ex -0.2237130E-02 Delta_ec 0.2217377E-03 Delta_et -0.1992533E-02 Pxc 0.4392791E+01 Qxc -0.1008909E+02 3,+3 151 3 -1 3.035652 -0.703434 -0.892777 Rho 0.1236898E+00 |GRAD(Rho)| 0.3050300E-15 GRAD(Rho)x 0.3434719E-16 GRAD(Rho)y 0.4364591E-16 GRAD(Rho)z -0.2999310E-15 Laplacian 0.5187434E+00 (-1/4)Del**2(Rho)) -0.1296858E+00 Diamond 0.8268515E+00 Metallicity 0.4078971E+01 Ellipticity 0.5995247E-02 Gb(Abramov) 0.1746214E+00 Vb(Abramov) -0.2195569E+00 Hb(Abramov) -0.4493552E-01 Ex_ueg -0.4551596E-01 Ec_ueg -0.6781229E-02 Delta_ex -0.5307165E-01 Delta_ec 0.1363004E-01 Delta_et -0.1758277E+00 Pxc 0.6712052E+01 Qxc -0.3893726E+01 3,-1 152 3 -1 -2.094999 1.534115 -1.235341 Rho 0.3190121E+00 |GRAD(Rho)| 0.5858126E-15 GRAD(Rho)x -0.3168199E-15 GRAD(Rho)y 0.6995518E-16 GRAD(Rho)z -0.4877580E-15 Laplacian -0.1626177E+01 (-1/4)Del**2(Rho)) 0.4065444E+00 Diamond 0.5682871E+01 Metallicity -0.6311372E+01 Ellipticity 0.2343364E-02 Gb(Abramov) 0.1566126E+00 Vb(Abramov) -0.7197695E+00 Hb(Abramov) -0.5631569E+00 Ex_ueg -0.1609884E+00 Ec_ueg -0.2007238E-01 Delta_ex 0.1616675E+00 Delta_ec 0.5687055E-01 Delta_et -0.1347783E+01 Pxc 0.8020396E+01 Qxc 0.2842728E+01 3,-1 153 3 -1 0.270088 -2.503931 2.719912 Rho 0.1227333E+00 |GRAD(Rho)| 0.6010045E-13 GRAD(Rho)x -0.1665618E-14 GRAD(Rho)y 0.5920889E-13 GRAD(Rho)z 0.1017825E-13 Laplacian 0.4717909E+00 (-1/4)Del**2(Rho)) -0.1179477E+00 Diamond 0.7533436E+00 Metallicity 0.4427251E+01 Ellipticity 0.4777978E-01 Gb(Abramov) 0.1656625E+00 Vb(Abramov) -0.2133773E+00 Hb(Abramov) -0.4771478E-01 Ex_ueg -0.4504723E-01 Ec_ueg -0.6721651E-02 Delta_ex -0.4828646E-01 Delta_ec 0.1261245E-01 Delta_et -0.1628220E+00 Pxc 0.6701811E+01 Qxc -0.3828477E+01 3,-1 154 3 -1 -1.979220 0.406386 0.586368 Rho 0.3224629E+00 |GRAD(Rho)| 0.1393237E-12 GRAD(Rho)x -0.5077636E-13 GRAD(Rho)y -0.8251601E-13 GRAD(Rho)z -0.1001198E-12 Laplacian -0.1640800E+01 (-1/4)Del**2(Rho)) 0.4101999E+00 Diamond 0.5725711E+01 Metallicity -0.6368305E+01 Ellipticity 0.4733772E-02 Gb(Abramov) 0.1619131E+00 Vb(Abramov) -0.7340261E+00 Hb(Abramov) -0.5721130E+00 Ex_ueg -0.1633145E+00 Ec_ueg -0.2032629E-01 Delta_ex 0.1641094E+00 Delta_ec 0.5685083E-01 Delta_et -0.1355218E+01 Pxc 0.8034646E+01 Qxc 0.2886667E+01 3,-1 155 3 -1 3.210674 3.166324 0.064907 Rho 0.2165672E+00 |GRAD(Rho)| 0.1603479E-14 GRAD(Rho)x -0.1096616E-14 GRAD(Rho)y -0.9864613E-15 GRAD(Rho)z 0.6288644E-15 Laplacian 0.8048594E+00 (-1/4)Del**2(Rho)) -0.2012149E+00 Diamond 0.2512962E+01 Metallicity 0.6686740E+01 Ellipticity 0.3893485E-02 Gb(Abramov) 0.3583885E+00 Vb(Abramov) -0.5155621E+00 Hb(Abramov) -0.1571736E+00 Ex_ueg -0.9605252E-01 Ec_ueg -0.1283433E-01 Delta_ex -0.9466774E-01 Delta_ec 0.1828846E-01 Delta_et -0.2519854E+00 Pxc 0.7484028E+01 Qxc -0.5176366E+01 3,-1 156 3 -1 -0.176266 2.416979 -2.330072 Rho 0.1073149E+00 |GRAD(Rho)| 0.2019143E-15 GRAD(Rho)x -0.5251604E-16 GRAD(Rho)y 0.1747869E-15 GRAD(Rho)z 0.8637703E-16 Laplacian 0.4364965E+00 (-1/4)Del**2(Rho)) -0.1091241E+00 Diamond 0.5881530E+00 Metallicity 0.3825889E+01 Ellipticity 0.8056563E-02 Gb(Abramov) 0.1423322E+00 Vb(Abramov) -0.1755403E+00 Hb(Abramov) -0.3320808E-01 Ex_ueg -0.3766445E-01 Ec_ueg -0.5770252E-02 Delta_ex -0.4320015E-01 Delta_ec 0.1189946E-01 Delta_et -0.1497419E+00 Pxc 0.6527349E+01 Qxc -0.3630428E+01 3,-1 157 3 -1 -0.168928 2.312937 0.879589 Rho 0.5020414E-01 |GRAD(Rho)| 0.4191528E-13 GRAD(Rho)x -0.1645676E-13 GRAD(Rho)y 0.2461033E-13 GRAD(Rho)z 0.2967149E-13 Laplacian 0.1907547E+00 (-1/4)Del**2(Rho)) -0.4768868E-01 Diamond 0.9728912E-01 Metallicity 0.2468144E+01 Ellipticity 0.1356223E-01 Gb(Abramov) 0.5140954E-01 Vb(Abramov) -0.5513040E-01 Hb(Abramov) -0.3720859E-02 Ex_ueg -0.1367848E-01 Ec_ueg -0.2426161E-02 Delta_ex -0.1571989E-01 Delta_ec 0.5687634E-02 Delta_et -0.6003995E-01 Pxc 0.5637910E+01 Qxc -0.2763872E+01 3,-1 158 3 -1 -0.228218 2.355188 2.356496 Rho 0.1455497E+00 |GRAD(Rho)| 0.3036016E-15 GRAD(Rho)x -0.1444022E-15 GRAD(Rho)y 0.1408108E-15 GRAD(Rho)z -0.2269235E-15 Laplacian 0.5870748E+00 (-1/4)Del**2(Rho)) -0.1467687E+00 Diamond 0.1138877E+01 Metallicity 0.4727217E+01 Ellipticity 0.1789657E-01 Gb(Abramov) 0.2134804E+00 Vb(Abramov) -0.2801920E+00 Hb(Abramov) -0.6671167E-01 Ex_ueg -0.5654580E-01 Ec_ueg -0.8159245E-02 Delta_ex -0.6249341E-01 Delta_ec 0.1484829E-01 Delta_et -0.1964685E+00 Pxc 0.6930273E+01 Qxc -0.4208795E+01 3,-1 159 3 -1 3.828980 -0.550135 -2.193107 Rho 0.2177564E+00 |GRAD(Rho)| 0.1584521E-10 GRAD(Rho)x -0.1493746E-10 GRAD(Rho)y 0.1368027E-11 GRAD(Rho)z 0.5106044E-11 Laplacian 0.7911846E+00 (-1/4)Del**2(Rho)) -0.1977961E+00 Diamond 0.2498053E+01 Metallicity 0.6864679E+01 Ellipticity 0.3908685E-02 Gb(Abramov) 0.3581653E+00 Vb(Abramov) -0.5185344E+00 Hb(Abramov) -0.1603691E+00 Ex_ueg -0.9675639E-01 Ec_ueg -0.1291505E-01 Delta_ex -0.9326047E-01 Delta_ec 0.1807387E-01 Delta_et -0.2495932E+00 Pxc 0.7491757E+01 Qxc -0.5159962E+01 3,-1 160 3 -1 3.875252 -0.751504 2.196178 Rho 0.2159448E+00 |GRAD(Rho)| 0.3571939E-13 GRAD(Rho)x 0.2248684E-13 GRAD(Rho)y 0.2774611E-13 GRAD(Rho)z 0.6085898E-15 Laplacian 0.7894343E+00 (-1/4)Del**2(Rho)) -0.1973586E+00 Diamond 0.2464603E+01 Metallicity 0.6784769E+01 Ellipticity 0.4880034E-02 Gb(Abramov) 0.3547444E+00 Vb(Abramov) -0.5121303E+00 Hb(Abramov) -0.1573859E+00 Ex_ueg -0.9568460E-01 Ec_ueg -0.1279212E-01 Delta_ex -0.9283547E-01 Delta_ec 0.1804361E-01 Delta_et -0.2489200E+00 Pxc 0.7479965E+01 Qxc -0.5145062E+01 3,-1 161 3 -1 0.716882 -3.904321 -2.236163 Rho 0.2191777E+00 |GRAD(Rho)| 0.8380143E-15 GRAD(Rho)x -0.3075068E-16 GRAD(Rho)y 0.8245358E-15 GRAD(Rho)z 0.1465028E-15 Laplacian 0.8061222E+00 (-1/4)Del**2(Rho)) -0.2015306E+00 Diamond 0.2559687E+01 Metallicity 0.6810924E+01 Ellipticity 0.3056719E-02 Gb(Abramov) 0.3631219E+00 Vb(Abramov) -0.5247133E+00 Hb(Abramov) -0.1615914E+00 Ex_ueg -0.9759931E-01 Ec_ueg -0.1301161E-01 Delta_ex -0.9514775E-01 Delta_ec 0.1832196E-01 Delta_et -0.2528871E+00 Pxc 0.7500939E+01 Qxc -0.5193100E+01 3,-1 162 3 -1 2.644973 1.938259 -0.636968 Rho 0.1035656E+00 |GRAD(Rho)| 0.2205113E-12 GRAD(Rho)x 0.4138722E-13 GRAD(Rho)y -0.1437593E-12 GRAD(Rho)z -0.1620050E-12 Laplacian 0.4270518E+00 (-1/4)Del**2(Rho)) -0.1067630E+00 Diamond 0.5544939E+00 Metallicity 0.3685463E+01 Ellipticity 0.3143754E-03 Gb(Abramov) 0.1367538E+00 Vb(Abramov) -0.1667447E+00 Hb(Abramov) -0.2999085E-01 Ex_ueg -0.3592025E-01 Ec_ueg -0.5541548E-02 Delta_ex -0.4196620E-01 Delta_ec 0.1182893E-01 Delta_et -0.1479702E+00 Pxc 0.6481989E+01 Qxc -0.3547760E+01 3,-1 163 3 -1 2.705250 1.922946 0.753250 Rho 0.1780311E+00 |GRAD(Rho)| 0.4247443E-11 GRAD(Rho)x -0.3197972E-11 GRAD(Rho)y -0.2785977E-11 GRAD(Rho)z 0.2282145E-12 Laplacian 0.7237190E+00 (-1/4)Del**2(Rho)) -0.1809298E+00 Diamond 0.1765058E+01 Metallicity 0.5364589E+01 Ellipticity 0.3979140E-01 Gb(Abramov) 0.2823888E+00 Vb(Abramov) -0.3838479E+00 Hb(Abramov) -0.1014591E+00 Ex_ueg -0.7396843E-01 Ec_ueg -0.1026146E-01 Delta_ex -0.8081187E-01 Delta_ec 0.1705903E-01 Delta_et -0.2304270E+00 Pxc 0.7208376E+01 Qxc -0.4737190E+01 3,-1 164 3 -1 0.501618 -3.898085 2.199532 Rho 0.2139102E+00 |GRAD(Rho)| 0.1138535E-10 GRAD(Rho)x 0.1754492E-11 GRAD(Rho)y -0.1033660E-10 GRAD(Rho)z 0.4438759E-11 Laplacian 0.7961159E+00 (-1/4)Del**2(Rho)) -0.1990290E+00 Diamond 0.2451309E+01 Metallicity 0.6622513E+01 Ellipticity 0.1102548E-01 Gb(Abramov) 0.3523646E+00 Vb(Abramov) -0.5057003E+00 Hb(Abramov) -0.1533357E+00 Ex_ueg -0.9448448E-01 Ec_ueg -0.1265428E-01 Delta_ex -0.9335574E-01 Delta_ec 0.1817822E-01 Delta_et -0.2503733E+00 Pxc 0.7466604E+01 Qxc -0.5135582E+01 3,-1 165 3 -1 3.052994 -0.833207 0.907297 Rho 0.1333317E+00 |GRAD(Rho)| 0.2679639E-15 GRAD(Rho)x -0.7210283E-16 GRAD(Rho)y -0.4362389E-16 GRAD(Rho)z -0.2543674E-15 Laplacian 0.5523707E+00 (-1/4)Del**2(Rho)) -0.1380927E+00 Diamond 0.9606785E+00 Metallicity 0.4341153E+01 Ellipticity 0.1682326E-01 Gb(Abramov) 0.1919753E+00 Vb(Abramov) -0.2458580E+00 Hb(Abramov) -0.5388267E-01 Ex_ueg -0.5030715E-01 Ec_ueg -0.7385202E-02 Delta_ex -0.5751130E-01 Delta_ec 0.1419519E-01 Delta_et -0.1852365E+00 Pxc 0.6811886E+01 Qxc -0.4051465E+01 3,-1 166 3 -1 -1.355920 -2.967443 -0.580545 Rho 0.3206611E+00 |GRAD(Rho)| 0.1798514E-14 GRAD(Rho)x 0.5934845E-15 GRAD(Rho)y 0.1306444E-14 GRAD(Rho)z -0.1084267E-14 Laplacian -0.1605185E+01 (-1/4)Del**2(Rho)) 0.4012963E+00 Diamond 0.5636367E+01 Metallicity -0.6449090E+01 Ellipticity 0.7716803E-02 Gb(Abramov) 0.1638018E+00 Vb(Abramov) -0.7288999E+00 Hb(Abramov) -0.5650981E+00 Ex_ueg -0.1620989E+00 Ec_ueg -0.2019362E-01 Delta_ex 0.1599330E+00 Delta_ec 0.5608468E-01 Delta_et -0.1332164E+01 Pxc 0.8027231E+01 Qxc 0.2851634E+01 3,-1 167 3 -1 2.703882 -1.677432 2.046018 Rho 0.1808650E+00 |GRAD(Rho)| 0.2047175E-14 GRAD(Rho)x -0.8731758E-15 GRAD(Rho)y 0.1831760E-14 GRAD(Rho)z 0.2704542E-15 Laplacian 0.6852944E+00 (-1/4)Del**2(Rho)) -0.1713236E+00 Diamond 0.1730321E+01 Metallicity 0.5816480E+01 Ellipticity 0.5810269E-01 Gb(Abramov) 0.2802991E+00 Vb(Abramov) -0.3892747E+00 Hb(Abramov) -0.1089755E+00 Ex_ueg -0.7554247E-01 Ec_ueg -0.1044780E-01 Delta_ex -0.7703696E-01 Delta_ec 0.1645914E-01 Delta_et -0.2238196E+00 Pxc 0.7230464E+01 Qxc -0.4680497E+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 99 112 57 114 116 161 109 157 55 158 145 74 146 77 165 121 167 96 160 107 135 139 80 104 155 144 162 163 93 94 133 108 142 137 106 85 63 60 62 153 115 164 82 122 151 95 120 159 149 156 51 147 73 148 110 101 124 134 154 129 136 138 140 123 126 111 69 127 152 119 130 166 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 17 18 19 19 21 21 21 22 23 26 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 26 28 36 45 46 36 36 47 20 23 45 23 28 46 24 45 47 2.443381 2.011591 1.984792 1.895607 1.873901 1.751027 1.763736 2.365668 1.772447 1.904574 2.033250 2.166368 1.758967 2.503811 1.936651 2.164237 1.827565 1.859107 1.757076 2.324833 1.889492 1.755240 2.187976 2.089971 1.755622 2.383611 2.040359 1.824041 2.085543 1.855871 1.760879 2.372737 1.760993 1.996081 1.950839 2.163891 2.378495 1.778337 1.901303 1.983587 2.222875 1.760809 2.498068 1.872710 1.967258 1.852651 2.044992 1.754136 2.426106 2.025782 1.970867 1.746136 1.878320 1.907428 1.642955 3.325702 3.140786 1.687981 0.993955 1.818788 1.661461 1.650845 1.778939 3.222422 2.897818 2.512967 3.144325 2.945461 0.996732 3.223603 1.890600 0.996043 2.444014 2.012485 1.986278 1.896270 1.874471 1.751046 1.763782 2.366367 1.772603 1.905132 2.033884 2.167020 1.758991 2.504405 1.937346 2.164726 1.827825 1.859634 1.757102 2.325604 1.890002 1.755349 2.188613 2.090619 1.755656 2.384360 2.040848 1.824537 2.086143 1.856322 1.760911 2.373656 1.761098 1.996691 1.951448 2.164586 2.379246 1.778427 1.901872 1.984310 2.223479 1.760833 2.498654 1.873332 1.967963 1.853169 2.045637 1.754149 2.426942 2.026405 1.972549 1.746157 1.879002 1.907973 1.642982 3.365837 3.193092 1.688289 0.994102 1.824877 1.661471 1.650856 1.782784 3.226451 2.901325 2.686357 3.158180 2.967915 0.996800 3.226737 1.906460 0.996119 27 27 23 25 23 21 23 27 22 25 24 30 23 29 23 28 23 23 21 27 23 23 27 27 23 27 24 25 25 22 23 27 23 23 27 25 27 23 24 23 25 21 29 30 25 22 27 20 27 25 23 22 28 23 24 37 35 24 20 27 22 23 25 35 33 33 35 33 18 35 25 17 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 Mo O Mo Mo Mo Mo Mo O O Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H H H 2.2632 -0.8023 2.1899 2.2225 2.2115 2.2637 2.1796 -0.7888 -0.7983 2.1932 2.2499 2.2441 -1.1357 -0.8484 -1.1438 -1.1301 -0.8124 -0.9294 -0.7573 -0.9158 -0.7816 -0.9288 -0.7846 -0.9338 -0.9383 -0.7989 -0.8874 -0.7537 -0.9096 -0.7689 -0.9097 -0.9537 -0.9184 -0.9243 -0.9007 2.0078 -0.7984 -0.9194 -0.9208 -0.9136 -0.7796 -0.7935 -0.7950 -0.8017 0.2878 0.2877 0.2756 1.9347 1.9607 1.9555 1.9500 1.9621 1.9451 1.9698 1.9629 1.9616 1.9565 1.9347 1.9547 1.9000 1.8708 1.8996 1.8998 1.9676 1.9382 1.9708 1.9409 1.8742 1.9376 1.9696 1.9390 1.9394 1.8743 1.9489 1.9711 1.9502 1.9663 1.9470 1.9432 1.9443 1.9442 1.9522 2.3383 1.9614 1.9481 1.9476 1.9499 1.9634 1.9630 1.9624 1.9618 0.5756 0.5595 0.5680 6.1171 4.8135 6.1338 6.1186 6.1163 6.1025 6.1339 4.7968 4.8083 6.1352 6.1164 6.1161 5.2084 4.9421 5.2160 5.2031 4.8148 4.9659 4.7568 4.9485 4.8796 4.9670 4.7850 4.9691 4.9730 4.8969 4.9110 4.7525 4.9331 4.7722 4.9357 4.9839 4.9469 4.9527 4.9205 7.0720 4.8086 4.9456 4.9460 4.9370 4.7864 4.8011 4.8039 4.8109 0.1366 0.1529 0.1563 3.6850 0.0280 3.7209 3.7089 3.7101 3.6888 3.7168 0.0292 0.0284 3.7152 3.6990 3.6852 0.0273 0.0356 0.0282 0.0273 0.0300 0.0252 0.0297 0.0263 0.0278 0.0243 0.0299 0.0257 0.0258 0.0278 0.0274 0.0300 0.0263 0.0305 0.0270 0.0267 0.0271 0.0274 0.0280 0.5819 0.0283 0.0257 0.0272 0.0266 0.0298 0.0294 0.0286 0.0290 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 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 Mo O Mo Mo Mo Mo Mo O O Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H H H 3.166467 -1.081248 3.141362 3.154555 3.141962 3.161709 3.143609 -1.066173 -1.077873 3.143793 3.165686 3.163408 -1.171036 -0.554563 -1.186200 -1.177364 -0.999123 -1.216275 -1.028857 -1.204823 -0.757518 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-0.783052 -0.993488 -1.059741 -1.000448 -1.018368 -0.983832 1.330813 -0.847987 -1.003628 -0.997162 -1.008802 -0.839752 -0.826796 -0.829836 -0.842034 0.353982 0.449786 0.378968 -23.88185069 -2.23563351 -0.84702236 24.00121448 74.78968825 18.56243818 -4.97255610 -31.77552507 -1.19036136 -43.01416318 -269.6251 353.2452 -98.1624 -317.9895 -61.0834 -393.6152 Mar06-2024 13:33:54 Nodes: 1 Procs: 1 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 0 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 Mar06-2024 13:33:55 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar06-2024 13:33:56 Nodes: 1 Procs: 1 Mar06-2024 13:33:57 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar06-2024 13:33:58 Nodes: 1 Procs: 1 Mar06-2024 13:33:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar06-2024 13:33:59 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -14.40763625 -14.43169551 -14.43102461 -14.44092519 -14.44437928 -14.44619616 -14.44786577 -14.44858025 -14.44875083 -14.44876594 -14.44880352 -14.44887332 -14.44898017 -14.44922306 -14.44934074 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