ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar09-2023 12:00:50 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.01 0.61 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Mar09-2023 12:00:50 Nodes: 1 Procs: 1 Mar09-2023 12:00:51 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar09-2023 12:00:51 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.67 0.03 0.74 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 Mar09-2023 12:00:50 Nodes: 1 Procs: 1 Mar09-2023 12:00:51 Nodes: 1 Procs: 1 0 Mar09-2023 12:00:51 Nodes: 1 Procs: 1 Mar09-2023 12:00:52 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar09-2023 12:00:53 Phosphorus (TZP, 1s frozen) kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.02 0.47 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 Mar09-2023 12:00:50 Nodes: 1 Procs: 1 Mar09-2023 12:00:51 Nodes: 1 Procs: 1 0 Mar09-2023 12:00:51 Nodes: 1 Procs: 1 Mar09-2023 12:00:52 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar09-2023 12:00:53 Nodes: 1 Procs: 1 Mar09-2023 12:00:53 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar09-2023 12:00:54 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 1822.229760999997 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3.855416 0.189578 -3.641028 3.855656 -0.189666 -3.641247 -3.855633 0.189829 -3.855586 0.189482 -3.640904 -3.855383 -0.189445 3.641159 3.855519 0.189623 3.640956 3.855554 -0.189658 -3.641211 -0.000043 0.000030 -0.000000 1 3 -3 0.100695 -2.443284 2.659627 Rho 0.1240649E+06 3,-3 2 3 -3 -0.100660 -2.443279 -2.659659 Rho 0.1240649E+06 3,-3 3 3 -3 0.100726 2.443164 -2.659808 Rho 0.1240649E+06 3,-3 4 3 -3 -0.100763 2.443396 2.659870 Rho 0.1240649E+06 3,-3 5 3 -3 2.443391 -2.659762 0.100687 Rho 0.1240649E+06 3,-3 6 3 -3 2.443300 2.659797 -0.100646 Rho 0.1240649E+06 3,-3 7 3 -3 -2.443257 2.659959 0.100767 Rho 0.1240649E+06 3,-3 8 3 -3 -2.443483 -2.659977 -0.100774 Rho 0.1240649E+06 3,-3 9 3 -3 -2.659863 -0.100812 -2.443122 Rho 0.1240649E+06 3,-3 10 3 -3 -2.659743 0.100699 2.443254 Rho 0.1240649E+06 3,-3 11 3 -3 2.659726 -0.100801 2.443276 Rho 0.1240649E+06 3,-3 12 3 -3 2.659934 0.100821 -2.443374 Rho 0.1240649E+06 3,-3 13 3 -3 0.899996 -0.900026 0.900100 Rho 0.3187842E+03 3,-3 14 3 -3 -0.900073 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3,-3 48 3 -3 -3.641247 -3.855633 0.189829 Rho 0.3195354E+03 3,-3 49 3 -3 -3.855586 0.189482 -3.640904 Rho 0.3195354E+03 3,-3 50 3 -3 -3.855383 -0.189445 3.641159 Rho 0.3195354E+03 3,-3 51 3 -3 3.855519 0.189623 3.640956 Rho 0.3195354E+03 3,-3 52 3 -3 3.855554 -0.189658 -3.641211 Rho 0.3195354E+03 3,-3 53 3 -3 -0.000043 0.000030 -0.000000 Rho 0.2439509E+04 3,-3 54 3 +1 1.700787 -0.547945 -0.536563 Rho 0.8364760E-02 |GRAD(Rho)| 0.1074272E-14 GRAD(Rho)x -0.6168162E-15 GRAD(Rho)y 0.8709599E-15 GRAD(Rho)z -0.1225826E-15 Laplacian 0.3455614E-01 (-1/4)Del**2(Rho)) -0.8639034E-02 Diamond 0.9582044E-03 Metallicity 0.6873488E+00 Ellipticity -0.1451906E+01 Gb(Abramov) 0.6749028E-02 Vb(Abramov) -0.4859021E-02 Hb(Abramov) 0.1890006E-02 Ex_ueg -0.1254074E-02 Ec_ueg -0.2944672E-03 Delta_ex -0.1599297E-02 Delta_ec 0.5428037E-03 Delta_et -0.3637330E-02 Pxc 0.4258790E+01 Qxc -0.2946364E+01 3,+1 55 3 +1 -2.013789 -2.013655 -2.013353 Rho 0.1187432E-01 |GRAD(Rho)| 0.9633599E-15 GRAD(Rho)x 0.5166114E-15 GRAD(Rho)y 0.5715307E-15 GRAD(Rho)z 0.5783835E-15 Laplacian 0.5531128E-01 (-1/4)Del**2(Rho)) -0.1382782E-01 Diamond 0.1833178E-02 Metallicity 0.7699823E+00 Ellipticity -0.1161274E+01 Gb(Abramov) 0.1099308E-01 Vb(Abramov) -0.8158332E-02 Hb(Abramov) 0.2834744E-02 Ex_ueg -0.2000768E-02 Ec_ueg -0.4537703E-03 Delta_ex -0.2608278E-02 Delta_ec 0.5340823E-03 Delta_et -0.4136499E-02 Pxc 0.4409209E+01 Qxc -0.4883664E+01 3,+1 56 3 +3 -1.119023 -1.118949 1.118828 Rho 0.4733009E-02 |GRAD(Rho)| 0.3511296E-17 GRAD(Rho)x -0.3416309E-17 GRAD(Rho)y 0.4641211E-18 GRAD(Rho)z -0.6652997E-18 Laplacian 0.1928043E-01 (-1/4)Del**2(Rho)) -0.4820109E-02 Diamond 0.1343051E-03 Metallicity 0.4768611E+00 Ellipticity -0.2918683E-03 Gb(Abramov) 0.3596493E-02 Vb(Abramov) -0.2372877E-02 Hb(Abramov) 0.1223616E-02 Ex_ueg -0.5869055E-03 Ec_ueg -0.1354412E-03 Delta_ex -0.6654721E-03 Delta_ec 0.1017145E-03 Delta_et -0.7488589E-03 Pxc 0.4333285E+01 Qxc -0.6542549E+01 3,+3 57 3 +1 -1.330352 -1.056121 -2.117076 Rho 0.2357023E-01 |GRAD(Rho)| 0.2913418E-14 GRAD(Rho)x 0.2731673E-14 GRAD(Rho)y -0.4901199E-15 GRAD(Rho)z -0.8864249E-15 Laplacian 0.9310402E-01 (-1/4)Del**2(Rho)) -0.2327601E-01 Diamond 0.1191856E-01 Metallicity 0.1434116E+01 Ellipticity -0.4506035E+01 Gb(Abramov) 0.2108075E-01 Vb(Abramov) -0.1888550E-01 Hb(Abramov) 0.2195252E-02 Ex_ueg -0.4991182E-02 Ec_ueg -0.1017000E-02 Delta_ex -0.5781383E-02 Delta_ec 0.1724548E-02 Delta_et -0.1496483E-01 Pxc 0.4907750E+01 Qxc -0.3352405E+01 3,+1 58 3 -1 -3.031199 -0.866501 -1.917809 Rho 0.1526212E+00 |GRAD(Rho)| 0.1516014E-14 GRAD(Rho)x 0.4519971E-15 GRAD(Rho)y 0.1309703E-14 GRAD(Rho)z -0.6153660E-15 Laplacian 0.5980210E+00 (-1/4)Del**2(Rho)) -0.1495052E+00 Diamond 0.1228753E+01 Metallicity 0.5022519E+01 Ellipticity 0.6348845E-01 Gb(Abramov) 0.2248190E+00 Vb(Abramov) -0.3001327E+00 Hb(Abramov) -0.7531375E-01 Ex_ueg -0.6023815E-01 Ec_ueg -0.8611520E-02 Delta_ex -0.6441233E-01 Delta_ec 0.1495810E-01 Delta_et -0.1992430E+00 Pxc 0.6995065E+01 Qxc -0.4306183E+01 3,-1 59 3 -1 -1.745777 -0.490042 -1.641882 Rho 0.3732395E-01 |GRAD(Rho)| 0.1272848E-15 GRAD(Rho)x -0.8762344E-16 GRAD(Rho)y 0.4345491E-16 GRAD(Rho)z -0.8145694E-16 Laplacian 0.1525174E+00 (-1/4)Del**2(Rho)) -0.3812936E-01 Diamond 0.5328138E-01 Metallicity 0.1883388E+01 Ellipticity 0.1541147E-01 Gb(Abramov) 0.3738830E-01 Vb(Abramov) -0.3664724E-01 Hb(Abramov) 0.7410597E-03 Ex_ueg -0.9212309E-02 Ec_ueg -0.1727215E-02 Delta_ex -0.1175670E-01 Delta_ec 0.4704345E-02 Delta_et -0.4589523E-01 Pxc 0.5333619E+01 Qxc -0.2499115E+01 3,-1 60 3 +1 -0.547883 0.536490 -1.700844 Rho 0.8367431E-02 |GRAD(Rho)| 0.4072493E-16 GRAD(Rho)x 0.3816392E-16 GRAD(Rho)y 0.8510987E-17 GRAD(Rho)z -0.1138412E-16 Laplacian 0.3456809E-01 (-1/4)Del**2(Rho)) -0.8642022E-02 Diamond 0.9588339E-03 Metallicity 0.6874767E+00 Ellipticity -0.1451868E+01 Gb(Abramov) 0.6751547E-02 Vb(Abramov) -0.4861071E-02 Hb(Abramov) 0.1890476E-02 Ex_ueg -0.1254608E-02 Ec_ueg -0.2945864E-03 Delta_ex -0.1599922E-02 Delta_ec 0.5428928E-03 Delta_et -0.3638307E-02 Pxc 0.4258878E+01 Qxc -0.2947031E+01 3,+1 61 3 +1 -1.700853 -0.547940 0.536512 Rho 0.8365093E-02 |GRAD(Rho)| 0.4782958E-16 GRAD(Rho)x 0.2174503E-16 GRAD(Rho)y 0.4229405E-16 GRAD(Rho)z 0.5102526E-17 Laplacian 0.3455701E-01 (-1/4)Del**2(Rho)) -0.8639253E-02 Diamond 0.9582858E-03 Metallicity 0.6873769E+00 Ellipticity -0.1451946E+01 Gb(Abramov) 0.6749240E-02 Vb(Abramov) -0.4859226E-02 Hb(Abramov) 0.1890014E-02 Ex_ueg -0.1254140E-02 Ec_ueg -0.2944820E-03 Delta_ex -0.1599356E-02 Delta_ec 0.5428218E-03 Delta_et -0.3637487E-02 Pxc 0.4258801E+01 Qxc -0.2946374E+01 3,+1 62 3 -1 -1.885587 -0.550529 2.737472 Rho 0.1120193E+00 |GRAD(Rho)| 0.5659152E-16 GRAD(Rho)x -0.5584996E-16 GRAD(Rho)y 0.8870129E-17 GRAD(Rho)z -0.2168404E-17 Laplacian 0.4636704E+00 (-1/4)Del**2(Rho)) -0.1159176E+00 Diamond 0.6607345E+00 Metallicity 0.3868642E+01 Ellipticity 0.1112614E-01 Gb(Abramov) 0.1520190E+00 Vb(Abramov) -0.1881205E+00 Hb(Abramov) -0.3610143E-01 Ex_ueg -0.3988188E-01 Ec_ueg -0.6058721E-02 Delta_ex -0.4639846E-01 Delta_ec 0.1259186E-01 Delta_et -0.1598315E+00 Pxc 0.6582557E+01 Qxc -0.3684798E+01 3,-1 63 3 +1 -1.764642 -1.764620 1.764725 Rho 0.1166217E-01 |GRAD(Rho)| 0.1261125E-16 GRAD(Rho)x -0.8090309E-17 GRAD(Rho)y 0.2794746E-17 GRAD(Rho)z -0.9261743E-17 Laplacian 0.5791972E-01 (-1/4)Del**2(Rho)) -0.1447993E-01 Diamond 0.2242086E-02 Metallicity 0.7135411E+00 Ellipticity -0.1244523E+01 Gb(Abramov) 0.1137529E-01 Vb(Abramov) -0.8270652E-02 Hb(Abramov) 0.3104639E-02 Ex_ueg -0.1953249E-02 Ec_ueg -0.4439961E-03 Delta_ex -0.2828775E-02 Delta_ec 0.7573434E-03 Delta_et -0.5634909E-02 Pxc 0.4399247E+01 Qxc -0.3735129E+01 3,+1 64 3 +1 -1.764612 1.764690 -1.764678 Rho 0.1166229E-01 |GRAD(Rho)| 0.1445614E-16 GRAD(Rho)x 0.1267372E-16 GRAD(Rho)y 0.1167459E-17 GRAD(Rho)z -0.6855204E-17 Laplacian 0.5792044E-01 (-1/4)Del**2(Rho)) -0.1448011E-01 Diamond 0.2242140E-02 Metallicity 0.7135447E+00 Ellipticity -0.1244486E+01 Gb(Abramov) 0.1137544E-01 Vb(Abramov) -0.8270773E-02 Hb(Abramov) 0.3104669E-02 Ex_ueg -0.1953276E-02 Ec_ueg -0.4440018E-03 Delta_ex -0.2828816E-02 Delta_ec 0.7573491E-03 Delta_et -0.5634968E-02 Pxc 0.4399253E+01 Qxc -0.3735155E+01 3,+1 65 3 +1 -1.700792 0.547926 -0.536484 Rho 0.8366795E-02 |GRAD(Rho)| 0.2357762E-16 GRAD(Rho)x 0.2308673E-16 GRAD(Rho)y 0.2890076E-17 GRAD(Rho)z 0.3815036E-17 Laplacian 0.3456476E-01 (-1/4)Del**2(Rho)) -0.8641189E-02 Diamond 0.9587191E-03 Metallicity 0.6874559E+00 Ellipticity -0.1451951E+01 Gb(Abramov) 0.6750866E-02 Vb(Abramov) -0.4860542E-02 Hb(Abramov) 0.1890324E-02 Ex_ueg -0.1254480E-02 Ec_ueg -0.2945580E-03 Delta_ex -0.1599773E-02 Delta_ec 0.5429046E-03 Delta_et -0.3638266E-02 Pxc 0.4258857E+01 Qxc -0.2946693E+01 3,+1 66 3 +3 -2.367407 -0.000032 0.000055 Rho 0.4266370E-02 |GRAD(Rho)| 0.1752500E-15 GRAD(Rho)x 0.1371319E-15 GRAD(Rho)y 0.9025183E-16 GRAD(Rho)z 0.6133526E-16 Laplacian 0.1760686E-01 (-1/4)Del**2(Rho)) -0.4401716E-02 Diamond 0.1500562E-03 Metallicity 0.4392335E+00 Ellipticity -0.3104916E+00 Gb(Abramov) 0.3256707E-02 Vb(Abramov) -0.2111699E-02 Hb(Abramov) 0.1145009E-02 Ex_ueg -0.5110497E-03 Ec_ueg -0.1154796E-03 Delta_ex -0.6408434E-03 Delta_ec 0.1822131E-03 Delta_et -0.1096103E-02 Pxc 0.4425453E+01 Qxc -0.3516999E+01 3,+3 67 3 +1 -0.547809 -0.536402 1.700820 Rho 0.8368920E-02 |GRAD(Rho)| 0.2355596E-16 GRAD(Rho)x 0.1035413E-16 GRAD(Rho)y 0.8673617E-17 GRAD(Rho)z -0.1929880E-16 Laplacian 0.3457665E-01 (-1/4)Del**2(Rho)) -0.8644162E-02 Diamond 0.9592952E-03 Metallicity 0.6875105E+00 Ellipticity -0.1451852E+01 Gb(Abramov) 0.6753267E-02 Vb(Abramov) -0.4862371E-02 Hb(Abramov) 0.1890895E-02 Ex_ueg -0.1254905E-02 Ec_ueg -0.2946529E-03 Delta_ex -0.1600384E-02 Delta_ec 0.5430203E-03 Delta_et -0.3639338E-02 Pxc 0.4258928E+01 Qxc -0.2947191E+01 3,+1 68 3 -1 -1.885737 0.550551 -2.737418 Rho 0.1119697E+00 |GRAD(Rho)| 0.2086937E-15 GRAD(Rho)x 0.1810347E-15 GRAD(Rho)y 0.8616019E-16 GRAD(Rho)z -0.5793028E-16 Laplacian 0.4634597E+00 (-1/4)Del**2(Rho)) -0.1158649E+00 Diamond 0.6600790E+00 Metallicity 0.3867543E+01 Ellipticity 0.1111926E-01 Gb(Abramov) 0.1519287E+00 Vb(Abramov) -0.1879925E+00 Hb(Abramov) -0.3606378E-01 Ex_ueg -0.3985831E-01 Ec_ueg -0.6055668E-02 Delta_ex -0.4637248E-01 Delta_ec 0.1258734E-01 Delta_et -0.1597609E+00 Pxc 0.6581984E+01 Qxc -0.3684058E+01 3,-1 69 3 -1 -1.745713 0.490008 1.641959 Rho 0.3732041E-01 |GRAD(Rho)| 0.3341772E-16 GRAD(Rho)x 0.1257653E-16 GRAD(Rho)y 0.1823710E-16 GRAD(Rho)z -0.2501966E-16 Laplacian 0.1525015E+00 (-1/4)Del**2(Rho)) -0.3812538E-01 Diamond 0.5326898E-01 Metallicity 0.1883286E+01 Ellipticity 0.1554690E-01 Gb(Abramov) 0.3738375E-01 Vb(Abramov) -0.3664213E-01 Hb(Abramov) 0.7416249E-03 Ex_ueg -0.9211145E-02 Ec_ueg -0.1727028E-02 Delta_ex -0.1175520E-01 Delta_ec 0.4703859E-02 Delta_et -0.4588929E-01 Pxc 0.5333525E+01 Qxc -0.2499055E+01 3,-1 70 3 +3 -1.118943 1.118969 -1.118913 Rho 0.4733285E-02 |GRAD(Rho)| 0.2737621E-13 GRAD(Rho)x -0.2719348E-13 GRAD(Rho)y -0.4072465E-15 GRAD(Rho)z 0.3131364E-14 Laplacian 0.1928108E-01 (-1/4)Del**2(Rho)) -0.4820269E-02 Diamond 0.1343137E-03 Metallicity 0.4768916E+00 Ellipticity -0.3707780E-03 Gb(Abramov) 0.3596637E-02 Vb(Abramov) -0.2373005E-02 Hb(Abramov) 0.1223632E-02 Ex_ueg -0.5869511E-03 Ec_ueg -0.1354531E-03 Delta_ex -0.6654984E-03 Delta_ec 0.1017062E-03 Delta_et -0.7488345E-03 Pxc 0.4333243E+01 Qxc -0.6543340E+01 3,+3 71 3 -1 -2.057355 -0.817557 -2.928460 Rho 0.1141642E+00 |GRAD(Rho)| 0.1347528E-15 GRAD(Rho)x 0.9746978E-16 GRAD(Rho)y -0.8013609E-16 GRAD(Rho)z 0.4728816E-16 Laplacian 0.4475979E+00 (-1/4)Del**2(Rho)) -0.1118995E+00 Diamond 0.6526886E+00 Metallicity 0.4136268E+01 Ellipticity 0.1900977E-01 Gb(Abramov) 0.1517407E+00 Vb(Abramov) -0.1915819E+00 Hb(Abramov) -0.3984121E-01 Ex_ueg -0.4090332E-01 Ec_ueg -0.6190785E-02 Delta_ex -0.4499352E-01 Delta_ec 0.1210593E-01 Delta_et -0.1542007E+00 Pxc 0.6607129E+01 Qxc -0.3716652E+01 3,-1 72 3 -1 -2.057187 0.817556 2.928659 Rho 0.1140810E+00 |GRAD(Rho)| 0.4473339E-15 GRAD(Rho)x -0.3522031E-15 GRAD(Rho)y -0.2671135E-15 GRAD(Rho)z 0.6863677E-16 Laplacian 0.4472800E+00 (-1/4)Del**2(Rho)) -0.1118200E+00 Diamond 0.6516532E+00 Metallicity 0.4134176E+01 Ellipticity 0.1893456E-01 Gb(Abramov) 0.1515939E+00 Vb(Abramov) -0.1913679E+00 Hb(Abramov) -0.3977393E-01 Ex_ueg -0.4086354E-01 Ec_ueg -0.6185651E-02 Delta_ex -0.4495381E-01 Delta_ec 0.1209938E-01 Delta_et -0.1540969E+00 Pxc 0.6606182E+01 Qxc -0.3715381E+01 3,-1 73 3 +3 -0.000006 2.367236 0.000040 Rho 0.4267321E-02 |GRAD(Rho)| 0.4694726E-17 GRAD(Rho)x -0.2578419E-17 GRAD(Rho)y -0.9222201E-18 GRAD(Rho)z -0.3813361E-17 Laplacian 0.1761081E-01 (-1/4)Del**2(Rho)) -0.4402703E-02 Diamond 0.1500803E-03 Metallicity 0.4392981E+00 Ellipticity -0.3109569E+00 Gb(Abramov) 0.3257485E-02 Vb(Abramov) -0.2112267E-02 Hb(Abramov) 0.1145218E-02 Ex_ueg -0.5112015E-03 Ec_ueg -0.1155202E-03 Delta_ex -0.6409598E-03 Delta_ec 0.1821416E-03 Delta_et -0.1095874E-02 Pxc 0.4425214E+01 Qxc -0.3519019E+01 3,+3 74 3 +1 -1.056048 2.117292 1.330209 Rho 0.2355917E-01 |GRAD(Rho)| 0.2836671E-16 GRAD(Rho)x 0.6850447E-17 GRAD(Rho)y 0.1506874E-16 GRAD(Rho)z 0.2303637E-16 Laplacian 0.9304794E-01 (-1/4)Del**2(Rho)) -0.2326198E-01 Diamond 0.1190306E-01 Metallicity 0.1433859E+01 Ellipticity -0.4502818E+01 Gb(Abramov) 0.2106706E-01 Vb(Abramov) -0.1887213E-01 Hb(Abramov) 0.2194926E-02 Ex_ueg -0.4988062E-02 Ec_ueg -0.1016448E-02 Delta_ex -0.5777112E-02 Delta_ec 0.1723371E-02 Delta_et -0.1495287E-01 Pxc 0.4907346E+01 Qxc -0.3352216E+01 3,+1 75 3 +1 -2.013488 2.013781 2.013563 Rho 0.1187413E-01 |GRAD(Rho)| 0.7774391E-12 GRAD(Rho)x -0.2575441E-12 GRAD(Rho)y -0.7127395E-12 GRAD(Rho)z 0.1734500E-12 Laplacian 0.5531123E-01 (-1/4)Del**2(Rho)) -0.1382781E-01 Diamond 0.1833178E-02 Metallicity 0.7699622E+00 Ellipticity -0.1161260E+01 Gb(Abramov) 0.1099302E-01 Vb(Abramov) -0.8158232E-02 Hb(Abramov) 0.2834788E-02 Ex_ueg -0.2000725E-02 Ec_ueg -0.4537614E-03 Delta_ex -0.2608277E-02 Delta_ec 0.5341039E-03 Delta_et -0.4136629E-02 Pxc 0.4409200E+01 Qxc -0.4883464E+01 3,+1 76 3 -1 -1.752248 2.836323 -0.591281 Rho 0.1543851E+00 |GRAD(Rho)| 0.6875858E-15 GRAD(Rho)x 0.4380854E-15 GRAD(Rho)y -0.3781155E-17 GRAD(Rho)z -0.5299445E-15 Laplacian 0.6448501E+00 (-1/4)Del**2(Rho)) -0.1612125E+00 Diamond 0.1330124E+01 Metallicity 0.4747845E+01 Ellipticity 0.3187216E-01 Gb(Abramov) 0.2350437E+00 Vb(Abramov) -0.3088749E+00 Hb(Abramov) -0.7383118E-01 Ex_ueg -0.6116817E-01 Ec_ueg -0.8724810E-02 Delta_ex -0.6952659E-01 Delta_ec 0.1585595E-01 Delta_et -0.2109730E+00 Pxc 0.7010831E+01 Qxc -0.4384889E+01 3,-1 77 3 +3 -0.000151 -2.367032 0.000163 Rho 0.4268516E-02 |GRAD(Rho)| 0.5959912E-17 GRAD(Rho)x -0.1790513E-17 GRAD(Rho)y -0.2438330E-17 GRAD(Rho)z 0.5135091E-17 Laplacian 0.1761621E-01 (-1/4)Del**2(Rho)) -0.4404053E-02 Diamond 0.1501468E-03 Metallicity 0.4393683E+00 Ellipticity -0.3113520E+00 Gb(Abramov) 0.3258536E-02 Vb(Abramov) -0.2113018E-02 Hb(Abramov) 0.1145518E-02 Ex_ueg -0.5113923E-03 Ec_ueg -0.1155711E-03 Delta_ex -0.6411595E-03 Delta_ec 0.1821230E-03 Delta_et -0.1095931E-02 Pxc 0.4424914E+01 Qxc -0.3520476E+01 3,+3 78 3 -1 -0.817364 2.928841 2.057203 Rho 0.1141371E+00 |GRAD(Rho)| 0.1562917E-13 GRAD(Rho)x 0.1024316E-13 GRAD(Rho)y -0.5345039E-14 GRAD(Rho)z 0.1052517E-13 Laplacian 0.4474833E+00 (-1/4)Del**2(Rho)) -0.1118708E+00 Diamond 0.6523358E+00 Metallicity 0.4135690E+01 Ellipticity 0.1895732E-01 Gb(Abramov) 0.1516911E+00 Vb(Abramov) -0.1915113E+00 Hb(Abramov) -0.3982024E-01 Ex_ueg -0.4089037E-01 Ec_ueg -0.6189115E-02 Delta_ex -0.4497949E-01 Delta_ec 0.1210351E-01 Delta_et -0.1541632E+00 Pxc 0.6606821E+01 Qxc -0.3716235E+01 3,-1 79 3 +1 -0.536544 1.700824 -0.547822 Rho 0.8366750E-02 |GRAD(Rho)| 0.3790843E-17 GRAD(Rho)x -0.1753358E-17 GRAD(Rho)y 0.2866359E-17 GRAD(Rho)z -0.1755052E-17 Laplacian 0.3456476E-01 (-1/4)Del**2(Rho)) -0.8641189E-02 Diamond 0.9586869E-03 Metallicity 0.6874498E+00 Ellipticity -0.1451912E+01 Gb(Abramov) 0.6750857E-02 Vb(Abramov) -0.4860524E-02 Hb(Abramov) 0.1890332E-02 Ex_ueg -0.1254471E-02 Ec_ueg -0.2945560E-03 Delta_ex -0.1599759E-02 Delta_ec 0.5428834E-03 Delta_et -0.3638135E-02 Pxc 0.4258856E+01 Qxc -0.2946782E+01 3,+1 80 3 +1 0.547919 0.536601 1.700845 Rho 0.8365739E-02 |GRAD(Rho)| 0.3297918E-17 GRAD(Rho)x 0.2222614E-17 GRAD(Rho)y 0.8673617E-18 GRAD(Rho)z 0.2276825E-17 Laplacian 0.3456091E-01 (-1/4)Del**2(Rho)) -0.8640228E-02 Diamond 0.9584410E-03 Metallicity 0.6873877E+00 Ellipticity -0.1451873E+01 Gb(Abramov) 0.6750017E-02 Vb(Abramov) -0.4859805E-02 Hb(Abramov) 0.1890212E-02 Ex_ueg -0.1254269E-02 Ec_ueg -0.2945108E-03 Delta_ex -0.1599542E-02 Delta_ec 0.5428385E-03 Delta_et -0.3637705E-02 Pxc 0.4258822E+01 Qxc -0.2946627E+01 3,+1 81 3 +3 0.000180 0.000155 2.367367 Rho 0.4267325E-02 |GRAD(Rho)| 0.8291895E-16 GRAD(Rho)x -0.8289665E-16 GRAD(Rho)y 0.1278818E-17 GRAD(Rho)z 0.1436568E-17 Laplacian 0.1761101E-01 (-1/4)Del**2(Rho)) -0.4402753E-02 Diamond 0.1501257E-03 Metallicity 0.4392939E+00 Ellipticity -0.3107267E+00 Gb(Abramov) 0.3257519E-02 Vb(Abramov) -0.2112285E-02 Hb(Abramov) 0.1145234E-02 Ex_ueg -0.5112022E-03 Ec_ueg -0.1155204E-03 Delta_ex -0.6410171E-03 Delta_ec 0.1822327E-03 Delta_et -0.1096311E-02 Pxc 0.4425213E+01 Qxc -0.3517574E+01 3,+3 82 3 -1 0.817535 2.928498 -2.057333 Rho 0.1141497E+00 |GRAD(Rho)| 0.1312225E-15 GRAD(Rho)x -0.1487390E-16 GRAD(Rho)y 0.1288405E-15 GRAD(Rho)z 0.1995610E-16 Laplacian 0.4475423E+00 (-1/4)Del**2(Rho)) -0.1118856E+00 Diamond 0.6525073E+00 Metallicity 0.4135904E+01 Ellipticity 0.1899161E-01 Gb(Abramov) 0.1517150E+00 Vb(Abramov) -0.1915445E+00 Hb(Abramov) -0.3982946E-01 Ex_ueg -0.4089637E-01 Ec_ueg -0.6189889E-02 Delta_ex -0.4498658E-01 Delta_ec 0.1210478E-01 Delta_et -0.1541824E+00 Pxc 0.6606964E+01 Qxc -0.3716432E+01 3,-1 83 3 +1 0.536391 -1.700809 -0.547684 Rho 0.8368164E-02 |GRAD(Rho)| 0.1676247E-15 GRAD(Rho)x 0.1289675E-15 GRAD(Rho)y -0.2129780E-16 GRAD(Rho)z 0.1049372E-15 Laplacian 0.3457374E-01 (-1/4)Del**2(Rho)) -0.8643436E-02 Diamond 0.9591488E-03 Metallicity 0.6874647E+00 Ellipticity -0.1451868E+01 Gb(Abramov) 0.6752634E-02 Vb(Abramov) -0.4861831E-02 Hb(Abramov) 0.1890802E-02 Ex_ueg -0.1254754E-02 Ec_ueg -0.2946191E-03 Delta_ex -0.1600239E-02 Delta_ec 0.5430181E-03 Delta_et -0.3639204E-02 Pxc 0.4258903E+01 Qxc -0.2946934E+01 3,+1 84 3 -1 -0.490027 1.642019 1.745804 Rho 0.3730914E-01 |GRAD(Rho)| 0.1643488E-14 GRAD(Rho)x 0.4439759E-15 GRAD(Rho)y 0.1016680E-14 GRAD(Rho)z 0.1212559E-14 Laplacian 0.1524550E+00 (-1/4)Del**2(Rho)) -0.3811375E-01 Diamond 0.5323053E-01 Metallicity 0.1882913E+01 Ellipticity 0.1550589E-01 Gb(Abramov) 0.3736998E-01 Vb(Abramov) -0.3662620E-01 Hb(Abramov) 0.7437719E-03 Ex_ueg -0.9207435E-02 Ec_ueg -0.1726429E-02 Delta_ex -0.1175073E-01 Delta_ec 0.4702394E-02 Delta_et -0.4587120E-01 Pxc 0.5333227E+01 Qxc -0.2498882E+01 3,-1 85 3 -1 -0.591312 1.752208 -2.836251 Rho 0.1544091E+00 |GRAD(Rho)| 0.4017159E-13 GRAD(Rho)x 0.2832099E-13 GRAD(Rho)y 0.2843679E-13 GRAD(Rho)z 0.1739829E-14 Laplacian 0.6449698E+00 (-1/4)Del**2(Rho)) -0.1612424E+00 Diamond 0.1330602E+01 Metallicity 0.4748196E+01 Ellipticity 0.3189404E-01 Gb(Abramov) 0.2350967E+00 Vb(Abramov) -0.3089510E+00 Hb(Abramov) -0.7385430E-01 Ex_ueg -0.6118086E-01 Ec_ueg -0.8726355E-02 Delta_ex -0.6954201E-01 Delta_ec 0.1585797E-01 Delta_et -0.2110033E+00 Pxc 0.7011044E+01 Qxc -0.4385304E+01 3,-1 86 3 -1 0.591329 -1.752429 -2.836188 Rho 0.1544841E+00 |GRAD(Rho)| 0.2800275E-13 GRAD(Rho)x -0.2711630E-13 GRAD(Rho)y 0.2223522E-14 GRAD(Rho)z -0.6626918E-14 Laplacian 0.6452950E+00 (-1/4)Del**2(Rho)) -0.1613237E+00 Diamond 0.1332041E+01 Metallicity 0.4749646E+01 Ellipticity 0.3193080E-01 Gb(Abramov) 0.2352543E+00 Vb(Abramov) -0.3091848E+00 Hb(Abramov) -0.7393053E-01 Ex_ueg -0.6122049E-01 Ec_ueg -0.8731177E-02 Delta_ex -0.6958538E-01 Delta_ec 0.1586387E-01 Delta_et -0.2110946E+00 Pxc 0.7011711E+01 Qxc -0.4386405E+01 3,-1 87 3 +1 0.547928 -0.536523 -1.700870 Rho 0.8365519E-02 |GRAD(Rho)| 0.8471592E-16 GRAD(Rho)x -0.6900947E-16 GRAD(Rho)y -0.1132991E-16 GRAD(Rho)z 0.4781332E-16 Laplacian 0.3455990E-01 (-1/4)Del**2(Rho)) -0.8639974E-02 Diamond 0.9583895E-03 Metallicity 0.6873778E+00 Ellipticity -0.1451879E+01 Gb(Abramov) 0.6749804E-02 Vb(Abramov) -0.4859634E-02 Hb(Abramov) 0.1890170E-02 Ex_ueg -0.1254225E-02 Ec_ueg -0.2945010E-03 Delta_ex -0.1599490E-02 Delta_ec 0.5428316E-03 Delta_et -0.3637628E-02 Pxc 0.4258815E+01 Qxc -0.2946567E+01 3,+1 88 3 -1 0.489958 -1.641926 1.745676 Rho 0.3732604E-01 |GRAD(Rho)| 0.9466214E-14 GRAD(Rho)x -0.2834688E-14 GRAD(Rho)y -0.5851571E-14 GRAD(Rho)z 0.6879889E-14 Laplacian 0.1525301E+00 (-1/4)Del**2(Rho)) -0.3813252E-01 Diamond 0.5328960E-01 Metallicity 0.1883407E+01 Ellipticity 0.1545851E-01 Gb(Abramov) 0.3739152E-01 Vb(Abramov) -0.3665052E-01 Hb(Abramov) 0.7409989E-03 Ex_ueg -0.9212996E-02 Ec_ueg -0.1727326E-02 Delta_ex -0.1175782E-01 Delta_ec 0.4704705E-02 Delta_et -0.4589944E-01 Pxc 0.5333674E+01 Qxc -0.2499162E+01 3,-1 89 3 +1 -0.536604 -1.700802 0.547826 Rho 0.8366002E-02 |GRAD(Rho)| 0.6872458E-17 GRAD(Rho)x 0.1402687E-17 GRAD(Rho)y 0.5421011E-17 GRAD(Rho)z -0.3984443E-17 Laplacian 0.3456270E-01 (-1/4)Del**2(Rho)) -0.8640676E-02 Diamond 0.9585425E-03 Metallicity 0.6873882E+00 Ellipticity -0.1451874E+01 Gb(Abramov) 0.6750367E-02 Vb(Abramov) -0.4860058E-02 Hb(Abramov) 0.1890309E-02 Ex_ueg -0.1254322E-02 Ec_ueg -0.2945226E-03 Delta_ex -0.1599643E-02 Delta_ec 0.5428755E-03 Delta_et -0.3637978E-02 Pxc 0.4258831E+01 Qxc -0.2946610E+01 3,+1 90 3 +3 0.000090 -0.000057 -2.367442 Rho 0.4266659E-02 |GRAD(Rho)| 0.3280630E-17 GRAD(Rho)x -0.8165513E-18 GRAD(Rho)y -0.1612844E-17 GRAD(Rho)z 0.2737610E-17 Laplacian 0.1760816E-01 (-1/4)Del**2(Rho)) -0.4402039E-02 Diamond 0.1500807E-03 Metallicity 0.4392508E+00 Ellipticity -0.3105411E+00 Gb(Abramov) 0.3256959E-02 Vb(Abramov) -0.2111879E-02 Hb(Abramov) 0.1145080E-02 Ex_ueg -0.5110958E-03 Ec_ueg -0.1154920E-03 Delta_ex -0.6409010E-03 Delta_ec 0.1822260E-03 Delta_et -0.1096199E-02 Pxc 0.4425380E+01 Qxc -0.3517067E+01 3,+3 91 3 +3 1.118937 -1.118888 -1.118931 Rho 0.4732718E-02 |GRAD(Rho)| 0.1681247E-17 GRAD(Rho)x 0.4853350E-18 GRAD(Rho)y -0.6098207E-18 GRAD(Rho)z -0.1489685E-17 Laplacian 0.1927932E-01 (-1/4)Del**2(Rho)) -0.4819830E-02 Diamond 0.1342906E-03 Metallicity 0.4768397E+00 Ellipticity -0.3902377E-03 Gb(Abramov) 0.3596268E-02 Vb(Abramov) -0.2372705E-02 Hb(Abramov) 0.1223562E-02 Ex_ueg -0.5868573E-03 Ec_ueg -0.1354287E-03 Delta_ex -0.6654270E-03 Delta_ec 0.1017167E-03 Delta_et -0.7488466E-03 Pxc 0.4333329E+01 Qxc -0.6541964E+01 3,+3 92 3 -1 0.817471 -2.928612 2.057201 Rho 0.1141815E+00 |GRAD(Rho)| 0.3797063E-14 GRAD(Rho)x -0.2602268E-14 GRAD(Rho)y 0.1061708E-14 GRAD(Rho)z 0.2553167E-14 Laplacian 0.4476780E+00 (-1/4)Del**2(Rho)) -0.1119195E+00 Diamond 0.6529243E+00 Metallicity 0.4136568E+01 Ellipticity 0.1901539E-01 Gb(Abramov) 0.1517734E+00 Vb(Abramov) -0.1916274E+00 Hb(Abramov) -0.3985393E-01 Ex_ueg -0.4091155E-01 Ec_ueg -0.6191847E-02 Delta_ex -0.4500319E-01 Delta_ec 0.1210768E-01 Delta_et -0.1542272E+00 Pxc 0.6607325E+01 Qxc -0.3716912E+01 3,-1 93 3 -1 0.550498 -2.737520 -1.885449 Rho 0.1120173E+00 |GRAD(Rho)| 0.1043885E-12 GRAD(Rho)x -0.6138453E-13 GRAD(Rho)y 0.1910860E-13 GRAD(Rho)z -0.8224211E-13 Laplacian 0.4636687E+00 (-1/4)Del**2(Rho)) -0.1159172E+00 Diamond 0.6607185E+00 Metallicity 0.3868540E+01 Ellipticity 0.1113090E-01 Gb(Abramov) 0.1520165E+00 Vb(Abramov) -0.1881158E+00 Hb(Abramov) -0.3609931E-01 Ex_ueg -0.3988091E-01 Ec_ueg -0.6058596E-02 Delta_ex -0.4639810E-01 Delta_ec 0.1259189E-01 Delta_et -0.1598314E+00 Pxc 0.6582533E+01 Qxc -0.3684760E+01 3,-1 94 3 +1 1.330100 -1.056113 2.117161 Rho 0.2356912E-01 |GRAD(Rho)| 0.5997180E-16 GRAD(Rho)x -0.1869727E-16 GRAD(Rho)y 0.1176415E-16 GRAD(Rho)z -0.5575513E-16 Laplacian 0.9309924E-01 (-1/4)Del**2(Rho)) -0.2327481E-01 Diamond 0.1191830E-01 Metallicity 0.1434078E+01 Ellipticity -0.4508974E+01 Gb(Abramov) 0.2107952E-01 Vb(Abramov) -0.1888423E-01 Hb(Abramov) 0.2195288E-02 Ex_ueg -0.4990870E-02 Ec_ueg -0.1016945E-02 Delta_ex -0.5781146E-02 Delta_ec 0.1724692E-02 Delta_et -0.1496585E-01 Pxc 0.4907709E+01 Qxc -0.3351987E+01 3,+1 95 3 +1 1.056402 -2.117160 1.329920 Rho 0.2356577E-01 |GRAD(Rho)| 0.2672086E-16 GRAD(Rho)x -0.1121467E-16 GRAD(Rho)y 0.1463360E-16 GRAD(Rho)z -0.1934149E-16 Laplacian 0.9308861E-01 (-1/4)Del**2(Rho)) -0.2327215E-01 Diamond 0.1191817E-01 Metallicity 0.1433902E+01 Ellipticity -0.4517112E+01 Gb(Abramov) 0.2107643E-01 Vb(Abramov) -0.1888071E-01 Hb(Abramov) 0.2195720E-02 Ex_ueg -0.4989924E-02 Ec_ueg -0.1016778E-02 Delta_ex -0.5780688E-02 Delta_ec 0.1725242E-02 Delta_et -0.1496990E-01 Pxc 0.4907587E+01 Qxc -0.3350653E+01 3,+1 96 3 +1 1.764535 -1.764855 -1.764612 Rho 0.1166225E-01 |GRAD(Rho)| 0.2113713E-16 GRAD(Rho)x 0.1261066E-16 GRAD(Rho)y 0.1693987E-16 GRAD(Rho)z 0.8891347E-18 Laplacian 0.5792003E-01 (-1/4)Del**2(Rho)) -0.1448001E-01 Diamond 0.2242119E-02 Metallicity 0.7135452E+00 Ellipticity -0.1244534E+01 Gb(Abramov) 0.1137536E-01 Vb(Abramov) -0.8270715E-02 Hb(Abramov) 0.3104646E-02 Ex_ueg -0.1953266E-02 Ec_ueg -0.4439997E-03 Delta_ex -0.2828795E-02 Delta_ec 0.7573476E-03 Delta_et -0.5634949E-02 Pxc 0.4399251E+01 Qxc -0.3735134E+01 3,+1 97 3 -1 1.641975 -1.745714 0.490018 Rho 0.3730380E-01 |GRAD(Rho)| 0.7845590E-16 GRAD(Rho)x 0.3910804E-16 GRAD(Rho)y -0.6526516E-16 GRAD(Rho)z 0.1914024E-16 Laplacian 0.1524287E+00 (-1/4)Del**2(Rho)) -0.3810717E-01 Diamond 0.5320939E-01 Metallicity 0.1882788E+01 Ellipticity 0.1547273E-01 Gb(Abramov) 0.3736274E-01 Vb(Abramov) -0.3661830E-01 Hb(Abramov) 0.7444353E-03 Ex_ueg -0.9205677E-02 Ec_ueg -0.1726145E-02 Delta_ex -0.1174819E-01 Delta_ec 0.4701405E-02 Delta_et -0.4585974E-01 Pxc 0.5333085E+01 Qxc -0.2498867E+01 3,-1 98 3 +3 1.844042 -1.843928 1.843951 Rho 0.1156736E-01 |GRAD(Rho)| 0.7315322E-15 GRAD(Rho)x -0.4220984E-15 GRAD(Rho)y 0.4279470E-15 GRAD(Rho)z -0.4169337E-15 Laplacian 0.5202549E-01 (-1/4)Del**2(Rho)) -0.1300637E-01 Diamond 0.1051989E-02 Metallicity 0.7836477E+00 Ellipticity -0.6709368E+00 Gb(Abramov) 0.1036965E-01 Vb(Abramov) -0.7732929E-02 Hb(Abramov) 0.2636722E-02 Ex_ueg -0.1932106E-02 Ec_ueg -0.4396340E-03 Delta_ex -0.2250334E-02 Delta_ec 0.1712081E-03 Delta_et -0.1667067E-02 Pxc 0.4394805E+01 Qxc -0.1314385E+02 3,+3 99 3 +1 2.013634 -2.013491 2.013558 Rho 0.1187591E-01 |GRAD(Rho)| 0.8349693E-16 GRAD(Rho)x 0.1793377E-16 GRAD(Rho)y -0.4781062E-16 GRAD(Rho)z -0.6606256E-16 Laplacian 0.5532237E-01 (-1/4)Del**2(Rho)) -0.1383059E-01 Diamond 0.1833941E-02 Metallicity 0.7699997E+00 Ellipticity -0.1161251E+01 Gb(Abramov) 0.1099532E-01 Vb(Abramov) -0.8160048E-02 Hb(Abramov) 0.2835272E-02 Ex_ueg -0.2001125E-02 Ec_ueg -0.4538436E-03 Delta_ex -0.2608914E-02 Delta_ec 0.5342194E-03 Delta_et -0.4137651E-02 Pxc 0.4409284E+01 Qxc -0.4883600E+01 3,+1 100 3 +1 2.117143 -1.330292 1.055975 Rho 0.2356155E-01 |GRAD(Rho)| 0.2676423E-16 GRAD(Rho)x -0.1247501E-16 GRAD(Rho)y -0.2349981E-16 GRAD(Rho)z 0.2908137E-17 Laplacian 0.9305788E-01 (-1/4)Del**2(Rho)) -0.2326447E-01 Diamond 0.1190481E-01 Metallicity 0.1433947E+01 Ellipticity -0.4500592E+01 Gb(Abramov) 0.2106965E-01 Vb(Abramov) -0.1887483E-01 Hb(Abramov) 0.2194821E-02 Ex_ueg -0.4988732E-02 Ec_ueg -0.1016567E-02 Delta_ex -0.5777746E-02 Delta_ec 0.1723311E-02 Delta_et -0.1495280E-01 Pxc 0.4907433E+01 Qxc -0.3352701E+01 3,+1 101 3 -1 2.057193 -0.817403 2.928632 Rho 0.1142084E+00 |GRAD(Rho)| 0.1563126E-13 GRAD(Rho)x 0.1045594E-13 GRAD(Rho)y 0.1030876E-13 GRAD(Rho)z -0.5360882E-14 Laplacian 0.4477808E+00 (-1/4)Del**2(Rho)) -0.1119452E+00 Diamond 0.6532575E+00 Metallicity 0.4137241E+01 Ellipticity 0.1904070E-01 Gb(Abramov) 0.1518209E+00 Vb(Abramov) -0.1916965E+00 Hb(Abramov) -0.3987565E-01 Ex_ueg -0.4092439E-01 Ec_ueg -0.6193505E-02 Delta_ex -0.4501602E-01 Delta_ec 0.1210976E-01 Delta_et -0.1542602E+00 Pxc 0.6607631E+01 Qxc -0.3717332E+01 3,-1 102 3 +1 1.700756 0.547803 0.536419 Rho 0.8367975E-02 |GRAD(Rho)| 0.1111409E-16 GRAD(Rho)x -0.3693064E-17 GRAD(Rho)y -0.1035244E-16 GRAD(Rho)z 0.1646632E-17 Laplacian 0.3457182E-01 (-1/4)Del**2(Rho)) -0.8642954E-02 Diamond 0.9590720E-03 Metallicity 0.6874771E+00 Ellipticity -0.1451905E+01 Gb(Abramov) 0.6752275E-02 Vb(Abramov) -0.4861596E-02 Hb(Abramov) 0.1890679E-02 Ex_ueg -0.1254716E-02 Ec_ueg -0.2946107E-03 Delta_ex -0.1600143E-02 Delta_ec 0.5429930E-03 Delta_et -0.3639011E-02 Pxc 0.4258897E+01 Qxc -0.2946895E+01 3,+1 103 3 -1 1.885758 -0.550708 -2.737539 Rho 0.1119072E+00 |GRAD(Rho)| 0.1043968E-12 GRAD(Rho)x 0.7734958E-13 GRAD(Rho)y 0.6486640E-13 GRAD(Rho)z 0.2660989E-13 Laplacian 0.4632226E+00 (-1/4)Del**2(Rho)) -0.1158057E+00 Diamond 0.6593113E+00 Metallicity 0.3865926E+01 Ellipticity 0.1115551E-01 Gb(Abramov) 0.1518198E+00 Vb(Abramov) -0.1878339E+00 Hb(Abramov) -0.3601412E-01 Ex_ueg -0.3982867E-01 Ec_ueg -0.6051828E-02 Delta_ex -0.4634283E-01 Delta_ec 0.1258285E-01 Delta_et -0.1596880E+00 Pxc 0.6581263E+01 Qxc -0.3683016E+01 3,-1 104 3 -1 1.641942 1.745736 -0.490000 Rho 0.3730734E-01 |GRAD(Rho)| 0.4324345E-14 GRAD(Rho)x 0.2727559E-14 GRAD(Rho)y 0.2908494E-15 GRAD(Rho)z 0.3343021E-14 Laplacian 0.1524403E+00 (-1/4)Del**2(Rho)) -0.3811009E-01 Diamond 0.5322114E-01 Metallicity 0.1882943E+01 Ellipticity 0.1557191E-01 Gb(Abramov) 0.3736658E-01 Vb(Abramov) -0.3662307E-01 Hb(Abramov) 0.7435103E-03 Ex_ueg -0.9206845E-02 Ec_ueg -0.1726333E-02 Delta_ex -0.1174941E-01 Delta_ec 0.4701853E-02 Delta_et -0.4586532E-01 Pxc 0.5333179E+01 Qxc -0.2498889E+01 3,-1 105 3 -1 3.031043 -0.866505 1.917997 Rho 0.1526308E+00 |GRAD(Rho)| 0.1187847E-15 GRAD(Rho)x 0.8386981E-16 GRAD(Rho)y 0.8134227E-16 GRAD(Rho)z 0.2142655E-16 Laplacian 0.5980716E+00 (-1/4)Del**2(Rho)) -0.1495179E+00 Diamond 0.1228952E+01 Metallicity 0.5022618E+01 Ellipticity 0.6347948E-01 Gb(Abramov) 0.2248405E+00 Vb(Abramov) -0.3001631E+00 Hb(Abramov) -0.7532258E-01 Ex_ueg -0.6024318E-01 Ec_ueg -0.8612134E-02 Delta_ex -0.6441881E-01 Delta_ec 0.1495918E-01 Delta_et -0.1992591E+00 Pxc 0.6995151E+01 Qxc -0.4306306E+01 3,-1 106 3 -1 1.745672 -0.490026 1.641964 Rho 0.3732034E-01 |GRAD(Rho)| 0.5286684E-16 GRAD(Rho)x -0.4008255E-16 GRAD(Rho)y -0.8667688E-17 GRAD(Rho)z -0.3336410E-16 Laplacian 0.1525040E+00 (-1/4)Del**2(Rho)) -0.3812599E-01 Diamond 0.5326913E-01 Metallicity 0.1883250E+01 Ellipticity 0.1539756E-01 Gb(Abramov) 0.3738412E-01 Vb(Abramov) -0.3664226E-01 Hb(Abramov) 0.7418661E-03 Ex_ueg -0.9211121E-02 Ec_ueg -0.1727024E-02 Delta_ex -0.1175535E-01 Delta_ec 0.4703871E-02 Delta_et -0.4588938E-01 Pxc 0.5333523E+01 Qxc -0.2499080E+01 3,-1 107 3 -1 3.299390 -0.054019 -3.084649 Rho 0.2398134E+00 |GRAD(Rho)| 0.2770082E-14 GRAD(Rho)x 0.2185860E-14 GRAD(Rho)y -0.1379620E-14 GRAD(Rho)z -0.9960023E-15 Laplacian 0.8542765E+00 (-1/4)Del**2(Rho)) -0.2135691E+00 Diamond 0.3035667E+01 Metallicity 0.7466846E+01 Ellipticity 0.1551359E-02 Gb(Abramov) 0.4081607E+00 Vb(Abramov) -0.6027522E+00 Hb(Abramov) -0.1945916E+00 Ex_ueg -0.1100398E+00 Ec_ueg -0.1442622E-01 Delta_ex -0.1032844E+00 Delta_ec 0.1903932E-01 Delta_et -0.2644410E+00 Pxc 0.7627764E+01 Qxc -0.5424798E+01 3,-1 108 3 -1 3.299275 0.054009 3.084466 Rho 0.2398123E+00 |GRAD(Rho)| 0.1429022E-14 GRAD(Rho)x 0.1090219E-14 GRAD(Rho)y 0.8675108E-15 GRAD(Rho)z -0.3177254E-15 Laplacian 0.8542988E+00 (-1/4)Del**2(Rho)) -0.2135747E+00 Diamond 0.3035706E+01 Metallicity 0.7466594E+01 Ellipticity 0.1560502E-02 Gb(Abramov) 0.4081624E+00 Vb(Abramov) -0.6027501E+00 Hb(Abramov) -0.1945877E+00 Ex_ueg -0.1100391E+00 Ec_ueg -0.1442614E-01 Delta_ex -0.1032869E+00 Delta_ec 0.1903961E-01 Delta_et -0.2644440E+00 Pxc 0.7627758E+01 Qxc -0.5424844E+01 3,-1 109 3 +1 1.764714 1.764760 1.764532 Rho 0.1166199E-01 |GRAD(Rho)| 0.5522475E-12 GRAD(Rho)x 0.4145470E-12 GRAD(Rho)y 0.1289185E-12 GRAD(Rho)z -0.3413329E-12 Laplacian 0.5791786E-01 (-1/4)Del**2(Rho)) -0.1447947E-01 Diamond 0.2241955E-02 Metallicity 0.7135453E+00 Ellipticity -0.1244514E+01 Gb(Abramov) 0.1137494E-01 Vb(Abramov) -0.8270407E-02 Hb(Abramov) 0.3104530E-02 Ex_ueg -0.1953208E-02 Ec_ueg -0.4439877E-03 Delta_ex -0.2828669E-02 Delta_ec 0.7573133E-03 Delta_et -0.5634667E-02 Pxc 0.4399239E+01 Qxc -0.3735138E+01 3,+1 110 3 -1 1.745792 0.490044 -1.642022 Rho 0.3730438E-01 |GRAD(Rho)| 0.1818438E-15 GRAD(Rho)x -0.1344901E-15 GRAD(Rho)y 0.6098907E-16 GRAD(Rho)z 0.1061128E-15 Laplacian 0.1524351E+00 (-1/4)Del**2(Rho)) -0.3810877E-01 Diamond 0.5321389E-01 Metallicity 0.1882759E+01 Ellipticity 0.1546423E-01 Gb(Abramov) 0.3736412E-01 Vb(Abramov) -0.3661946E-01 Hb(Abramov) 0.7446543E-03 Ex_ueg -0.9205871E-02 Ec_ueg -0.1726176E-02 Delta_ex -0.1174880E-01 Delta_ec 0.4701730E-02 Delta_et -0.4586312E-01 Pxc 0.5333101E+01 Qxc -0.2498824E+01 3,-1 111 3 -1 3.031197 0.866443 -1.918162 Rho 0.1527281E+00 |GRAD(Rho)| 0.2083734E-13 GRAD(Rho)x 0.1394692E-13 GRAD(Rho)y -0.1603237E-14 GRAD(Rho)z 0.1539830E-13 Laplacian 0.5984377E+00 (-1/4)Del**2(Rho)) -0.1496094E+00 Diamond 0.1230630E+01 Metallicity 0.5024878E+01 Ellipticity 0.6355928E-01 Gb(Abramov) 0.2250345E+00 Vb(Abramov) -0.3004596E+00 Hb(Abramov) -0.7542506E-01 Ex_ueg -0.6029438E-01 Ec_ueg -0.8618377E-02 Delta_ex -0.6446823E-01 Delta_ec 0.1496567E-01 Delta_et -0.1993618E+00 Pxc 0.6996025E+01 Qxc -0.4307741E+01 3,-1 112 3 +3 -1.844188 -1.844108 -1.843798 Rho 0.1156594E-01 |GRAD(Rho)| 0.1683347E-13 GRAD(Rho)x 0.9960852E-14 GRAD(Rho)y 0.9574685E-14 GRAD(Rho)z 0.9616258E-14 Laplacian 0.5201657E-01 (-1/4)Del**2(Rho)) -0.1300414E-01 Diamond 0.1051664E-02 Metallicity 0.7836215E+00 Ellipticity -0.6709285E+00 Gb(Abramov) 0.1036782E-01 Vb(Abramov) -0.7731490E-02 Hb(Abramov) 0.2636327E-02 Ex_ueg -0.1931789E-02 Ec_ueg -0.4395685E-03 Delta_ex -0.2249877E-02 Delta_ec 0.1711983E-03 Delta_et -0.1666897E-02 Pxc 0.4394739E+01 Qxc -0.1314194E+02 3,+3 113 3 +1 0.536488 1.700884 0.547856 Rho 0.8365471E-02 |GRAD(Rho)| 0.2689818E-16 GRAD(Rho)x 0.9945861E-17 GRAD(Rho)y 0.2276147E-16 GRAD(Rho)z 0.1032025E-16 Laplacian 0.3455933E-01 (-1/4)Del**2(Rho)) -0.8639832E-02 Diamond 0.9583852E-03 Metallicity 0.6873826E+00 Ellipticity -0.1451911E+01 Gb(Abramov) 0.6749699E-02 Vb(Abramov) -0.4859567E-02 Hb(Abramov) 0.1890132E-02 Ex_ueg -0.1254216E-02 Ec_ueg -0.2944989E-03 Delta_ex -0.1599470E-02 Delta_ec 0.5428385E-03 Delta_et -0.3637657E-02 Pxc 0.4258813E+01 Qxc -0.2946493E+01 3,+1 114 3 -1 -3.299209 -0.053959 3.084566 Rho 0.2398104E+00 |GRAD(Rho)| 0.2597169E-15 GRAD(Rho)x -0.5204170E-16 GRAD(Rho)y -0.1253202E-15 GRAD(Rho)z 0.2214483E-15 Laplacian 0.8542865E+00 (-1/4)Del**2(Rho)) -0.2135716E+00 Diamond 0.3035641E+01 Metallicity 0.7466601E+01 Ellipticity 0.1554225E-02 Gb(Abramov) 0.4081568E+00 Vb(Abramov) -0.6027419E+00 Hb(Abramov) -0.1945852E+00 Ex_ueg -0.1100379E+00 Ec_ueg -0.1442601E-01 Delta_ex -0.1032852E+00 Delta_ec 0.1903946E-01 Delta_et -0.2644422E+00 Pxc 0.7627746E+01 Qxc -0.5424799E+01 3,-1 115 3 -1 -3.299374 0.053927 -3.084367 Rho 0.2398118E+00 |GRAD(Rho)| 0.3567246E-15 GRAD(Rho)x -0.3057450E-16 GRAD(Rho)y 0.5875021E-16 GRAD(Rho)z 0.3505226E-15 Laplacian 0.8543025E+00 (-1/4)Del**2(Rho)) -0.2135756E+00 Diamond 0.3035710E+01 Metallicity 0.7466533E+01 Ellipticity 0.1562833E-02 Gb(Abramov) 0.4081620E+00 Vb(Abramov) -0.6027483E+00 Hb(Abramov) -0.1945864E+00 Ex_ueg -0.1100388E+00 Ec_ueg -0.1442610E-01 Delta_ex -0.1032873E+00 Delta_ec 0.1903970E-01 Delta_et -0.2644453E+00 Pxc 0.7627754E+01 Qxc -0.5424836E+01 3,-1 116 3 +3 2.367238 -0.000179 -0.000143 Rho 0.4267132E-02 |GRAD(Rho)| 0.5397315E-17 GRAD(Rho)x 0.4206887E-17 GRAD(Rho)y 0.3367221E-17 GRAD(Rho)z 0.3081138E-18 Laplacian 0.1760999E-01 (-1/4)Del**2(Rho)) -0.4402498E-02 Diamond 0.1500874E-03 Metallicity 0.4392861E+00 Ellipticity -0.3107827E+00 Gb(Abramov) 0.3257325E-02 Vb(Abramov) -0.2112152E-02 Hb(Abramov) 0.1145173E-02 Ex_ueg -0.5111714E-03 Ec_ueg -0.1155121E-03 Delta_ex -0.6409494E-03 Delta_ec 0.1821804E-03 Delta_et -0.1096036E-02 Pxc 0.4425261E+01 Qxc -0.3518213E+01 3,+3 117 3 -1 -3.030945 0.866535 1.918049 Rho 0.1526188E+00 |GRAD(Rho)| 0.2949830E-15 GRAD(Rho)x 0.1574465E-15 GRAD(Rho)y -0.1259436E-15 GRAD(Rho)z 0.2153226E-15 Laplacian 0.5979845E+00 (-1/4)Del**2(Rho)) -0.1494961E+00 Diamond 0.1228664E+01 Metallicity 0.5022691E+01 Ellipticity 0.6347350E-01 Gb(Abramov) 0.2248096E+00 Vb(Abramov) -0.3001230E+00 Hb(Abramov) -0.7531344E-01 Ex_ueg -0.6023686E-01 Ec_ueg -0.8611363E-02 Delta_ex -0.6440824E-01 Delta_ec 0.1495741E-01 Delta_et -0.1992337E+00 Pxc 0.6995043E+01 Qxc -0.4306109E+01 3,-1 118 3 -1 -1.918306 -3.031224 -0.866424 Rho 0.1527330E+00 |GRAD(Rho)| 0.1830805E-14 GRAD(Rho)x -0.8236548E-15 GRAD(Rho)y 0.5356026E-15 GRAD(Rho)z 0.1544853E-14 Laplacian 0.5984459E+00 (-1/4)Del**2(Rho)) -0.1496115E+00 Diamond 0.1230694E+01 Metallicity 0.5025084E+01 Ellipticity 0.6355773E-01 Gb(Abramov) 0.2250427E+00 Vb(Abramov) -0.3004739E+00 Hb(Abramov) -0.7543121E-01 Ex_ueg -0.6029701E-01 Ec_ueg -0.8618697E-02 Delta_ex -0.6446962E-01 Delta_ec 0.1496574E-01 Delta_et -0.1993636E+00 Pxc 0.6996069E+01 Qxc -0.4307814E+01 3,-1 119 3 -1 -1.752430 -2.836305 0.591281 Rho 0.1543607E+00 |GRAD(Rho)| 0.3839880E-15 GRAD(Rho)x 0.3542631E-15 GRAD(Rho)y 0.8015981E-16 GRAD(Rho)z -0.1245748E-15 Laplacian 0.6447398E+00 (-1/4)Del**2(Rho)) -0.1611850E+00 Diamond 0.1329664E+01 Metallicity 0.4747407E+01 Ellipticity 0.3185289E-01 Gb(Abramov) 0.2349917E+00 Vb(Abramov) -0.3087985E+00 Hb(Abramov) -0.7380679E-01 Ex_ueg -0.6115528E-01 Ec_ueg -0.8723243E-02 Delta_ex -0.6951217E-01 Delta_ec 0.1585422E-01 Delta_et -0.2109465E+00 Pxc 0.7010614E+01 Qxc -0.4384460E+01 3,-1 120 3 -1 -1.642065 -1.745833 -0.490055 Rho 0.3729394E-01 |GRAD(Rho)| 0.2143073E-13 GRAD(Rho)x -0.1431642E-13 GRAD(Rho)y -0.1592111E-13 GRAD(Rho)z 0.9134571E-15 Laplacian 0.1523869E+00 (-1/4)Del**2(Rho)) -0.3809671E-01 Diamond 0.5317569E-01 Metallicity 0.1882476E+01 Ellipticity 0.1548481E-01 Gb(Abramov) 0.3735050E-01 Vb(Abramov) -0.3660428E-01 Hb(Abramov) 0.7462150E-03 Ex_ueg -0.9202434E-02 Ec_ueg -0.1725621E-02 Delta_ex -0.1174420E-01 Delta_ec 0.4700123E-02 Delta_et -0.4584392E-01 Pxc 0.5332824E+01 Qxc -0.2498702E+01 3,-1 121 3 -1 -0.866546 -1.918162 -3.030852 Rho 0.1526303E+00 |GRAD(Rho)| 0.2777021E-14 GRAD(Rho)x 0.1884628E-14 GRAD(Rho)y -0.1677830E-14 GRAD(Rho)z 0.1159703E-14 Laplacian 0.5980119E+00 (-1/4)Del**2(Rho)) -0.1495030E+00 Diamond 0.1228843E+01 Metallicity 0.5023092E+01 Ellipticity 0.6346415E-01 Gb(Abramov) 0.2248298E+00 Vb(Abramov) -0.3001567E+00 Hb(Abramov) -0.7532687E-01 Ex_ueg -0.6024291E-01 Ec_ueg -0.8612101E-02 Delta_ex -0.6441250E-01 Delta_ec 0.1495802E-01 Delta_et -0.1992443E+00 Pxc 0.6995147E+01 Qxc -0.4306219E+01 3,-1 122 3 +1 -2.117236 -1.330436 -1.055777 Rho 0.2355966E-01 |GRAD(Rho)| 0.4507266E-16 GRAD(Rho)x -0.4102695E-16 GRAD(Rho)y -0.8279739E-17 GRAD(Rho)z -0.1672662E-16 Laplacian 0.9304565E-01 (-1/4)Del**2(Rho)) -0.2326141E-01 Diamond 0.1190033E-01 Metallicity 0.1433944E+01 Ellipticity -0.4496445E+01 Gb(Abramov) 0.2106687E-01 Vb(Abramov) -0.1887232E-01 Hb(Abramov) 0.2194545E-02 Ex_ueg -0.4988198E-02 Ec_ueg -0.1016472E-02 Delta_ex -0.5776675E-02 Delta_ec 0.1722747E-02 Delta_et -0.1494768E-01 Pxc 0.4907364E+01 Qxc -0.3353177E+01 3,+1 123 3 +1 -1.330326 1.056110 2.117228 Rho 0.2356201E-01 |GRAD(Rho)| 0.3730092E-15 GRAD(Rho)x -0.2965943E-15 GRAD(Rho)y -0.1657295E-15 GRAD(Rho)z 0.1539527E-15 Laplacian 0.9306071E-01 (-1/4)Del**2(Rho)) -0.2326518E-01 Diamond 0.1190487E-01 Metallicity 0.1433950E+01 Ellipticity -0.4498443E+01 Gb(Abramov) 0.2107030E-01 Vb(Abramov) -0.1887543E-01 Hb(Abramov) 0.2194876E-02 Ex_ueg -0.4988862E-02 Ec_ueg -0.1016590E-02 Delta_ex -0.5777878E-02 Delta_ec 0.1723233E-02 Delta_et -0.1495222E-01 Pxc 0.4907450E+01 Qxc -0.3352930E+01 3,+1 124 3 -1 -0.364280 0.364282 0.364273 Rho 0.2017236E+00 |GRAD(Rho)| 0.1650911E-15 GRAD(Rho)x -0.1474955E-15 GRAD(Rho)y -0.2498398E-16 GRAD(Rho)z 0.6982787E-16 Laplacian 0.7143420E+00 (-1/4)Del**2(Rho)) -0.1785855E+00 Diamond 0.2291878E+01 Metallicity 0.6693215E+01 Ellipticity 0.1004220E-04 Gb(Abramov) 0.3182755E+00 Vb(Abramov) -0.4579656E+00 Hb(Abramov) -0.1396900E+00 Ex_ueg -0.8737636E-01 Ec_ueg -0.1183344E-01 Delta_ex -0.8413914E-01 Delta_ec 0.1948069E-01 Delta_et -0.2774306E+00 Pxc 0.7383851E+01 Qxc -0.4319105E+01 3,-1 125 3 +1 2.013691 2.013393 -2.013710 Rho 0.1187442E-01 |GRAD(Rho)| 0.2351918E-13 GRAD(Rho)x -0.3407817E-14 GRAD(Rho)y -0.9506333E-14 GRAD(Rho)z -0.2124073E-13 Laplacian 0.5531320E-01 (-1/4)Del**2(Rho)) -0.1382830E-01 Diamond 0.1833344E-02 Metallicity 0.7699661E+00 Ellipticity -0.1161288E+01 Gb(Abramov) 0.1099342E-01 Vb(Abramov) -0.8158541E-02 Hb(Abramov) 0.2834880E-02 Ex_ueg -0.2000790E-02 Ec_ueg -0.4537748E-03 Delta_ex -0.2608399E-02 Delta_ec 0.5341435E-03 Delta_et -0.4136937E-02 Pxc 0.4409213E+01 Qxc -0.4883329E+01 3,+1 126 3 -1 -1.641939 1.745837 0.490059 Rho 0.3730725E-01 |GRAD(Rho)| 0.3670746E-16 GRAD(Rho)x -0.2392550E-16 GRAD(Rho)y 0.2735800E-16 GRAD(Rho)z -0.5152448E-17 Laplacian 0.1524446E+00 (-1/4)Del**2(Rho)) -0.3811115E-01 Diamond 0.5322228E-01 Metallicity 0.1882882E+01 Ellipticity 0.1544228E-01 Gb(Abramov) 0.3736723E-01 Vb(Abramov) -0.3662332E-01 Hb(Abramov) 0.7439168E-03 Ex_ueg -0.9206813E-02 Ec_ueg -0.1726328E-02 Delta_ex -0.1174972E-01 Delta_ec 0.4701966E-02 Delta_et -0.4586639E-01 Pxc 0.5333177E+01 Qxc -0.2498895E+01 3,-1 127 3 -1 0.866447 1.917875 -3.031113 Rho 0.1526217E+00 |GRAD(Rho)| 0.1254856E-11 GRAD(Rho)x 0.9607109E-12 GRAD(Rho)y -0.6587642E-12 GRAD(Rho)z -0.4666127E-12 Laplacian 0.5980166E+00 (-1/4)Del**2(Rho)) -0.1495041E+00 Diamond 0.1228764E+01 Metallicity 0.5022585E+01 Ellipticity 0.6346743E-01 Gb(Abramov) 0.2248190E+00 Vb(Abramov) -0.3001338E+00 Hb(Abramov) -0.7531482E-01 Ex_ueg -0.6023842E-01 Ec_ueg -0.8611554E-02 Delta_ex -0.6441205E-01 Delta_ec 0.1495823E-01 Delta_et -0.1992454E+00 Pxc 0.6995070E+01 Qxc -0.4306127E+01 3,-1 128 3 -1 2.057259 0.817329 -2.928774 Rho 0.1141857E+00 |GRAD(Rho)| 0.2958522E-15 GRAD(Rho)x 0.1570873E-15 GRAD(Rho)y -0.2431391E-15 GRAD(Rho)z 0.6111851E-16 Laplacian 0.4476706E+00 (-1/4)Del**2(Rho)) -0.1119176E+00 Diamond 0.6529427E+00 Metallicity 0.4136893E+01 Ellipticity 0.1900669E-01 Gb(Abramov) 0.1517770E+00 Vb(Abramov) -0.1916363E+00 Hb(Abramov) -0.3985934E-01 Ex_ueg -0.4091358E-01 Ec_ueg -0.6192109E-02 Delta_ex -0.4500284E-01 Delta_ec 0.1210738E-01 Delta_et -0.1542244E+00 Pxc 0.6607373E+01 Qxc -0.3716977E+01 3,-1 129 3 +1 1.056218 2.117093 -1.330237 Rho 0.2356644E-01 |GRAD(Rho)| 0.8279610E-16 GRAD(Rho)x 0.5633821E-16 GRAD(Rho)y 0.1717514E-16 GRAD(Rho)z -0.5819119E-16 Laplacian 0.9308832E-01 (-1/4)Del**2(Rho)) -0.2327208E-01 Diamond 0.1191563E-01 Metallicity 0.1433974E+01 Ellipticity -0.4509505E+01 Gb(Abramov) 0.2107665E-01 Vb(Abramov) -0.1888121E-01 Hb(Abramov) 0.2195432E-02 Ex_ueg -0.4990114E-02 Ec_ueg -0.1016811E-02 Delta_ex -0.5780365E-02 Delta_ec 0.1724614E-02 Delta_et -0.1496471E-01 Pxc 0.4907611E+01 Qxc -0.3351686E+01 3,+1 130 3 -1 0.550641 2.737610 1.885652 Rho 0.1119261E+00 |GRAD(Rho)| 0.1103116E-15 GRAD(Rho)x 0.4602438E-16 GRAD(Rho)y 0.5525027E-16 GRAD(Rho)z 0.8365297E-16 Laplacian 0.4633050E+00 (-1/4)Del**2(Rho)) -0.1158262E+00 Diamond 0.6595629E+00 Metallicity 0.3866328E+01 Ellipticity 0.1115267E-01 Gb(Abramov) 0.1518545E+00 Vb(Abramov) -0.1878828E+00 Hb(Abramov) -0.3602829E-01 Ex_ueg -0.3983765E-01 Ec_ueg -0.6052992E-02 Delta_ex -0.4635293E-01 Delta_ec 0.1258460E-01 Delta_et -0.1597153E+00 Pxc 0.6581481E+01 Qxc -0.3683305E+01 3,-1 131 3 +3 1.844099 1.843829 -1.844081 Rho 0.1156588E-01 |GRAD(Rho)| 0.4648151E-16 GRAD(Rho)x -0.1149587E-16 GRAD(Rho)y -0.2420973E-16 GRAD(Rho)z 0.3797716E-16 Laplacian 0.5201752E-01 (-1/4)Del**2(Rho)) -0.1300438E-01 Diamond 0.1051660E-02 Metallicity 0.7836007E+00 Ellipticity -0.6708549E+00 Gb(Abramov) 0.1036796E-01 Vb(Abramov) -0.7731540E-02 Hb(Abramov) 0.2636420E-02 Ex_ueg -0.1931776E-02 Ec_ueg -0.4395659E-03 Delta_ex -0.2249910E-02 Delta_ec 0.1711930E-03 Delta_et -0.1666871E-02 Pxc 0.4394736E+01 Qxc -0.1314254E+02 3,+3 132 3 +3 1.118854 1.119027 1.118919 Rho 0.4732859E-02 |GRAD(Rho)| 0.5436245E-14 GRAD(Rho)x -0.6004759E-15 GRAD(Rho)y -0.8300291E-15 GRAD(Rho)z -0.5338843E-14 Laplacian 0.1927967E-01 (-1/4)Del**2(Rho)) -0.4819917E-02 Diamond 0.1342946E-03 Metallicity 0.4768548E+00 Ellipticity -0.2946622E-03 Gb(Abramov) 0.3596345E-02 Vb(Abramov) -0.2372773E-02 Hb(Abramov) 0.1223572E-02 Ex_ueg -0.5868806E-03 Ec_ueg -0.1354348E-03 Delta_ex -0.6654406E-03 Delta_ec 0.1017117E-03 Delta_et -0.7488307E-03 Pxc 0.4333308E+01 Qxc -0.6542419E+01 3,+3 133 3 -1 -0.550592 2.737438 -1.885700 Rho 0.1119971E+00 |GRAD(Rho)| 0.4558643E-12 GRAD(Rho)x 0.2682515E-12 GRAD(Rho)y -0.8753194E-13 GRAD(Rho)z -0.3580384E-12 Laplacian 0.4635921E+00 (-1/4)Del**2(Rho)) -0.1158980E+00 Diamond 0.6604593E+00 Metallicity 0.3868019E+01 Ellipticity 0.1110367E-01 Gb(Abramov) 0.1519813E+00 Vb(Abramov) -0.1880646E+00 Hb(Abramov) -0.3608329E-01 Ex_ueg -0.3987135E-01 Ec_ueg -0.6057357E-02 Delta_ex -0.4638837E-01 Delta_ec 0.1259014E-01 Delta_et -0.1598036E+00 Pxc 0.6582301E+01 Qxc -0.3684498E+01 3,-1 134 3 -1 2.836175 0.591172 1.752208 Rho 0.1543819E+00 |GRAD(Rho)| 0.2006867E-15 GRAD(Rho)x 0.1655509E-15 GRAD(Rho)y -0.7860466E-18 GRAD(Rho)z 0.1134347E-15 Laplacian 0.6448572E+00 (-1/4)Del**2(Rho)) -0.1612143E+00 Diamond 0.1330113E+01 Metallicity 0.4747632E+01 Ellipticity 0.3186519E-01 Gb(Abramov) 0.2350406E+00 Vb(Abramov) -0.3088668E+00 Hb(Abramov) -0.7382627E-01 Ex_ueg -0.6116651E-01 Ec_ueg -0.8724608E-02 Delta_ex -0.6952707E-01 Delta_ec 0.1585633E-01 Delta_et -0.2109777E+00 Pxc 0.7010803E+01 Qxc -0.4384816E+01 3,-1 135 3 -1 -2.737601 -1.885777 0.550707 Rho 0.1119216E+00 |GRAD(Rho)| 0.5659094E-13 GRAD(Rho)x 0.1359306E-13 GRAD(Rho)y -0.2542468E-14 GRAD(Rho)z 0.5487530E-13 Laplacian 0.4632909E+00 (-1/4)Del**2(Rho)) -0.1158227E+00 Diamond 0.6595062E+00 Metallicity 0.3866185E+01 Ellipticity 0.1114599E-01 Gb(Abramov) 0.1518472E+00 Vb(Abramov) -0.1878716E+00 Hb(Abramov) -0.3602444E-01 Ex_ueg -0.3983550E-01 Ec_ueg -0.6052713E-02 Delta_ex -0.4635100E-01 Delta_ec 0.1258422E-01 Delta_et -0.1597090E+00 Pxc 0.6581429E+01 Qxc -0.3683265E+01 3,-1 136 3 -1 -2.928581 2.057375 0.817435 Rho 0.1141735E+00 |GRAD(Rho)| 0.5782726E-15 GRAD(Rho)x 0.1062620E-15 GRAD(Rho)y 0.4420699E-15 GRAD(Rho)z -0.3573259E-15 Laplacian 0.4476173E+00 (-1/4)Del**2(Rho)) -0.1119043E+00 Diamond 0.6527820E+00 Metallicity 0.4136647E+01 Ellipticity 0.1899979E-01 Gb(Abramov) 0.1517543E+00 Vb(Abramov) -0.1916043E+00 Hb(Abramov) -0.3985001E-01 Ex_ueg -0.4090774E-01 Ec_ueg -0.6191356E-02 Delta_ex -0.4499636E-01 Delta_ec 0.1210627E-01 Delta_et -0.1542073E+00 Pxc 0.6607234E+01 Qxc -0.3716783E+01 3,-1 137 3 +1 -2.117081 1.330519 1.055909 Rho 0.2356646E-01 |GRAD(Rho)| 0.1866791E-16 GRAD(Rho)x 0.1811248E-16 GRAD(Rho)y -0.4128805E-17 GRAD(Rho)z -0.1838994E-17 Laplacian 0.9308411E-01 (-1/4)Del**2(Rho)) -0.2327103E-01 Diamond 0.1191176E-01 Metallicity 0.1434041E+01 Ellipticity -0.4501101E+01 Gb(Abramov) 0.2107595E-01 Vb(Abramov) -0.1888088E-01 Hb(Abramov) 0.2195074E-02 Ex_ueg -0.4990119E-02 Ec_ueg -0.1016812E-02 Delta_ex -0.5779711E-02 Delta_ec 0.1723834E-02 Delta_et -0.1495812E-01 Pxc 0.4907612E+01 Qxc -0.3352824E+01 3,+1 138 3 -1 -2.836237 0.591287 -1.752235 Rho 0.1544229E+00 |GRAD(Rho)| 0.3097302E-15 GRAD(Rho)x 0.1412986E-15 GRAD(Rho)y -0.2603440E-15 GRAD(Rho)z -0.9049022E-16 Laplacian 0.6450411E+00 (-1/4)Del**2(Rho)) -0.1612603E+00 Diamond 0.1330899E+01 Metallicity 0.4748380E+01 Ellipticity 0.3189584E-01 Gb(Abramov) 0.2351277E+00 Vb(Abramov) -0.3089951E+00 Hb(Abramov) -0.7386741E-01 Ex_ueg -0.6118817E-01 Ec_ueg -0.8727244E-02 Delta_ex -0.6955131E-01 Delta_ec 0.1585949E-01 Delta_et -0.2110262E+00 Pxc 0.7011167E+01 Qxc -0.4385470E+01 3,-1 139 3 -1 -0.817528 -2.928726 -2.057089 Rho 0.1140599E+00 |GRAD(Rho)| 0.1364721E-13 GRAD(Rho)x 0.8934693E-14 GRAD(Rho)y 0.4907529E-14 GRAD(Rho)z -0.9073790E-14 Laplacian 0.4471952E+00 (-1/4)Del**2(Rho)) -0.1117988E+00 Diamond 0.6513863E+00 Metallicity 0.4133687E+01 Ellipticity 0.1890191E-01 Gb(Abramov) 0.1515561E+00 Vb(Abramov) -0.1913133E+00 Hb(Abramov) -0.3975727E-01 Ex_ueg -0.4085347E-01 Ec_ueg -0.6184352E-02 Delta_ex -0.4494334E-01 Delta_ec 0.1209764E-01 Delta_et -0.1540696E+00 Pxc 0.6605942E+01 Qxc -0.3715050E+01 3,-1 140 3 +1 -1.056272 -2.117275 -1.330103 Rho 0.2355789E-01 |GRAD(Rho)| 0.4659930E-16 GRAD(Rho)x 0.8752940E-17 GRAD(Rho)y 0.4573014E-16 GRAD(Rho)z -0.1906541E-17 Laplacian 0.9304287E-01 (-1/4)Del**2(Rho)) -0.2326072E-01 Diamond 0.1190181E-01 Metallicity 0.1433807E+01 Ellipticity -0.4503051E+01 Gb(Abramov) 0.2106571E-01 Vb(Abramov) -0.1887070E-01 Hb(Abramov) 0.2195010E-02 Ex_ueg -0.4987699E-02 Ec_ueg -0.1016384E-02 Delta_ex -0.5776749E-02 Delta_ec 0.1723339E-02 Delta_et -0.1495237E-01 Pxc 0.4907299E+01 Qxc -0.3352069E+01 3,+1 141 3 -1 -0.364287 -0.364232 -0.364264 Rho 0.2017191E+00 |GRAD(Rho)| 0.3589641E-15 GRAD(Rho)x -0.2498611E-15 GRAD(Rho)y -0.1668258E-15 GRAD(Rho)z -0.1964530E-15 Laplacian 0.7142887E+00 (-1/4)Del**2(Rho)) -0.1785722E+00 Diamond 0.2291646E+01 Metallicity 0.6693467E+01 Ellipticity 0.1260863E-04 Gb(Abramov) 0.3182593E+00 Vb(Abramov) -0.4579464E+00 Hb(Abramov) -0.1396871E+00 Ex_ueg -0.8737378E-01 Ec_ueg -0.1183314E-01 Delta_ex -0.8413240E-01 Delta_ec 0.1947935E-01 Delta_et -0.2774108E+00 Pxc 0.7383819E+01 Qxc -0.4319055E+01 3,-1 142 3 -1 -0.054086 -3.084476 3.299180 Rho 0.2398125E+00 |GRAD(Rho)| 0.5012543E-15 GRAD(Rho)x -0.5861468E-16 GRAD(Rho)y -0.4284767E-15 GRAD(Rho)z 0.2534323E-15 Laplacian 0.8543057E+00 (-1/4)Del**2(Rho)) -0.2135764E+00 Diamond 0.3035727E+01 Metallicity 0.7466542E+01 Ellipticity 0.1553220E-02 Gb(Abramov) 0.4081639E+00 Vb(Abramov) -0.6027513E+00 Hb(Abramov) -0.1945874E+00 Ex_ueg -0.1100392E+00 Ec_ueg -0.1442615E-01 Delta_ex -0.1032877E+00 Delta_ec 0.1903971E-01 Delta_et -0.2644452E+00 Pxc 0.7627759E+01 Qxc -0.5424859E+01 3,-1 143 3 -1 0.054024 -3.084620 -3.299091 Rho 0.2398082E+00 |GRAD(Rho)| 0.1081151E-14 GRAD(Rho)x -0.3283642E-15 GRAD(Rho)y 0.7463106E-15 GRAD(Rho)z 0.7099898E-15 Laplacian 0.8542842E+00 (-1/4)Del**2(Rho)) -0.2135711E+00 Diamond 0.3035591E+01 Metallicity 0.7466508E+01 Ellipticity 0.1552974E-02 Gb(Abramov) 0.4081524E+00 Vb(Abramov) -0.6027337E+00 Hb(Abramov) -0.1945813E+00 Ex_ueg -0.1100366E+00 Ec_ueg -0.1442586E-01 Delta_ex -0.1032847E+00 Delta_ec 0.1903938E-01 Delta_et -0.2644406E+00 Pxc 0.7627733E+01 Qxc -0.5424793E+01 3,-1 144 3 +3 -1.843921 1.844193 1.844012 Rho 0.1156574E-01 |GRAD(Rho)| 0.2104029E-16 GRAD(Rho)x 0.1162515E-16 GRAD(Rho)y 0.1701452E-16 GRAD(Rho)z -0.4249219E-17 Laplacian 0.5201680E-01 (-1/4)Del**2(Rho)) -0.1300420E-01 Diamond 0.1051671E-02 Metallicity 0.7835955E+00 Ellipticity -0.6709532E+00 Gb(Abramov) 0.1036781E-01 Vb(Abramov) -0.7731411E-02 Hb(Abramov) 0.2636395E-02 Ex_ueg -0.1931744E-02 Ec_ueg -0.4395594E-03 Delta_ex -0.2249884E-02 Delta_ec 0.1712141E-03 Delta_et -0.1667002E-02 Pxc 0.4394729E+01 Qxc -0.1314077E+02 3,+3 145 3 -1 -0.550688 -2.737469 1.885618 Rho 0.1120305E+00 |GRAD(Rho)| 0.7117771E-15 GRAD(Rho)x 0.4603251E-15 GRAD(Rho)y 0.1743533E-15 GRAD(Rho)z 0.5141287E-15 Laplacian 0.4637549E+00 (-1/4)Del**2(Rho)) -0.1159387E+00 Diamond 0.6609258E+00 Metallicity 0.3868580E+01 Ellipticity 0.1109201E-01 Gb(Abramov) 0.1520455E+00 Vb(Abramov) -0.1881523E+00 Hb(Abramov) -0.3610680E-01 Ex_ueg -0.3988718E-01 Ec_ueg -0.6059408E-02 Delta_ex -0.4640789E-01 Delta_ec 0.1259365E-01 Delta_et -0.1598567E+00 Pxc 0.6582686E+01 Qxc -0.3685023E+01 3,-1 146 3 -1 0.866453 -1.917999 3.030935 Rho 0.1525996E+00 |GRAD(Rho)| 0.9370101E-15 GRAD(Rho)x -0.4330846E-15 GRAD(Rho)y -0.7013704E-15 GRAD(Rho)z -0.4455393E-15 Laplacian 0.5979344E+00 (-1/4)Del**2(Rho)) -0.1494836E+00 Diamond 0.1228387E+01 Metallicity 0.5022060E+01 Ellipticity 0.6343909E-01 Gb(Abramov) 0.2247750E+00 Vb(Abramov) -0.3000664E+00 Hb(Abramov) -0.7529140E-01 Ex_ueg -0.6022677E-01 Ec_ueg -0.8610133E-02 Delta_ex -0.6440096E-01 Delta_ec 0.1495683E-01 Delta_et -0.1992232E+00 Pxc 0.6994871E+01 Qxc -0.4305788E+01 3,-1 147 3 -1 2.737473 1.885596 0.550576 Rho 0.1120092E+00 |GRAD(Rho)| 0.1560668E-15 GRAD(Rho)x 0.8958559E-16 GRAD(Rho)y 0.4653938E-16 GRAD(Rho)z -0.1190183E-15 Laplacian 0.4636270E+00 (-1/4)Del**2(Rho)) -0.1159067E+00 Diamond 0.6605971E+00 Metallicity 0.3868422E+01 Ellipticity 0.1112975E-01 Gb(Abramov) 0.1520005E+00 Vb(Abramov) -0.1880943E+00 Hb(Abramov) -0.3609378E-01 Ex_ueg -0.3987707E-01 Ec_ueg -0.6058098E-02 Delta_ex -0.4639307E-01 Delta_ec 0.1259085E-01 Delta_et -0.1598158E+00 Pxc 0.6582440E+01 Qxc -0.3684665E+01 3,-1 148 3 -1 2.928739 -2.057216 0.817352 Rho 0.1141799E+00 |GRAD(Rho)| 0.4615697E-15 GRAD(Rho)x 0.8451695E-16 GRAD(Rho)y -0.2319312E-15 GRAD(Rho)z -0.3900146E-15 Laplacian 0.4476643E+00 (-1/4)Del**2(Rho)) -0.1119161E+00 Diamond 0.6528937E+00 Metallicity 0.4136597E+01 Ellipticity 0.1899699E-01 Gb(Abramov) 0.1517693E+00 Vb(Abramov) -0.1916226E+00 Hb(Abramov) -0.3985326E-01 Ex_ueg -0.4091078E-01 Ec_ueg -0.6191748E-02 Delta_ex -0.4500167E-01 Delta_ec 0.1210737E-01 Delta_et -0.1542228E+00 Pxc 0.6607307E+01 Qxc -0.3716883E+01 3,-1 149 3 -1 -3.084718 -3.299453 0.054133 Rho 0.2398164E+00 |GRAD(Rho)| 0.4279641E-15 GRAD(Rho)x 0.3871686E-15 GRAD(Rho)y 0.1767250E-15 GRAD(Rho)z -0.4496729E-16 Laplacian 0.8542693E+00 (-1/4)Del**2(Rho)) -0.2135673E+00 Diamond 0.3035708E+01 Metallicity 0.7467063E+01 Ellipticity 0.1546292E-02 Gb(Abramov) 0.4081650E+00 Vb(Abramov) -0.6027627E+00 Hb(Abramov) -0.1945977E+00 Ex_ueg -0.1100416E+00 Ec_ueg -0.1442642E-01 Delta_ex -0.1032840E+00 Delta_ec 0.1903928E-01 Delta_et -0.2644415E+00 Pxc 0.7627781E+01 Qxc -0.5424786E+01 3,-1 150 3 -1 -2.928885 -2.057294 -0.817262 Rho 0.1141899E+00 |GRAD(Rho)| 0.1567736E-15 GRAD(Rho)x 0.3545002E-16 GRAD(Rho)y -0.1235652E-15 GRAD(Rho)z 0.8973806E-16 Laplacian 0.4476820E+00 (-1/4)Del**2(Rho)) -0.1119205E+00 Diamond 0.6529930E+00 Metallicity 0.4137040E+01 Ellipticity 0.1898438E-01 Gb(Abramov) 0.1517836E+00 Vb(Abramov) -0.1916467E+00 Hb(Abramov) -0.3986310E-01 Ex_ueg -0.4091558E-01 Ec_ueg -0.6192367E-02 Delta_ex -0.4500445E-01 Delta_ec 0.1210771E-01 Delta_et -0.1542298E+00 Pxc 0.6607421E+01 Qxc -0.3717007E+01 3,-1 151 3 -1 -0.489983 -1.641939 -1.745687 Rho 0.3732212E-01 |GRAD(Rho)| 0.1667093E-15 GRAD(Rho)x -0.3966502E-16 GRAD(Rho)y 0.8574991E-16 GRAD(Rho)z 0.1373522E-15 Laplacian 0.1525085E+00 (-1/4)Del**2(Rho)) -0.3812711E-01 Diamond 0.5327498E-01 Metallicity 0.1883344E+01 Ellipticity 0.1557643E-01 Gb(Abramov) 0.3738582E-01 Vb(Abramov) -0.3664453E-01 Hb(Abramov) 0.7412917E-03 Ex_ueg -0.9211707E-02 Ec_ueg -0.1727118E-02 Delta_ex -0.1175589E-01 Delta_ec 0.4704102E-02 Delta_et -0.4589224E-01 Pxc 0.5333571E+01 Qxc -0.2499071E+01 3,-1 152 3 -1 -0.591238 -1.752187 2.836149 Rho 0.1543759E+00 |GRAD(Rho)| 0.2847181E-15 GRAD(Rho)x -0.1812651E-15 GRAD(Rho)y 0.2169624E-15 GRAD(Rho)z -0.3368481E-16 Laplacian 0.6448436E+00 (-1/4)Del**2(Rho)) -0.1612109E+00 Diamond 0.1330015E+01 Metallicity 0.4747426E+01 Ellipticity 0.3186593E-01 Gb(Abramov) 0.2350300E+00 Vb(Abramov) -0.3088492E+00 Hb(Abramov) -0.7381916E-01 Ex_ueg -0.6116335E-01 Ec_ueg -0.8724224E-02 Delta_ex -0.6952486E-01 Delta_ec 0.1585602E-01 Delta_et -0.2109723E+00 Pxc 0.7010749E+01 Qxc -0.4384761E+01 3,-1 153 3 -1 0.364214 0.364263 -0.364272 Rho 0.2017244E+00 |GRAD(Rho)| 0.6729057E-12 GRAD(Rho)x -0.3883210E-12 GRAD(Rho)y -0.3887278E-12 GRAD(Rho)z 0.3884579E-12 Laplacian 0.7143508E+00 (-1/4)Del**2(Rho)) -0.1785877E+00 Diamond 0.2291921E+01 Metallicity 0.6693179E+01 Ellipticity 0.9389176E-05 Gb(Abramov) 0.3182784E+00 Vb(Abramov) -0.4579690E+00 Hb(Abramov) -0.1396907E+00 Ex_ueg -0.8737685E-01 Ec_ueg -0.1183350E-01 Delta_ex -0.8414029E-01 Delta_ec 0.1948096E-01 Delta_et -0.2774347E+00 Pxc 0.7383856E+01 Qxc -0.4319104E+01 3,-1 154 3 -1 1.752344 2.836311 0.591264 Rho 0.1544720E+00 |GRAD(Rho)| 0.2733857E-15 GRAD(Rho)x 0.1914430E-15 GRAD(Rho)y 0.3667991E-16 GRAD(Rho)z -0.1916869E-15 Laplacian 0.6452234E+00 (-1/4)Del**2(Rho)) -0.1613058E+00 Diamond 0.1331782E+01 Metallicity 0.4749555E+01 Ellipticity 0.3191762E-01 Gb(Abramov) 0.2352257E+00 Vb(Abramov) -0.3091456E+00 Hb(Abramov) -0.7391987E-01 Ex_ueg -0.6121412E-01 Ec_ueg -0.8730401E-02 Delta_ex -0.6957644E-01 Delta_ec 0.1586266E-01 Delta_et -0.2110769E+00 Pxc 0.7011604E+01 Qxc -0.4386177E+01 3,-1 155 3 -1 1.918191 3.030941 -0.866541 Rho 0.1526427E+00 |GRAD(Rho)| 0.1102985E-14 GRAD(Rho)x 0.5000205E-15 GRAD(Rho)y -0.3831774E-15 GRAD(Rho)z 0.9053901E-15 Laplacian 0.5980661E+00 (-1/4)Del**2(Rho)) -0.1495165E+00 Diamond 0.1229066E+01 Metallicity 0.5023318E+01 Ellipticity 0.6347411E-01 Gb(Abramov) 0.2248559E+00 Vb(Abramov) -0.3001952E+00 Hb(Abramov) -0.7533934E-01 Ex_ueg -0.6024945E-01 Ec_ueg -0.8612899E-02 Delta_ex -0.6441955E-01 Delta_ec 0.1495893E-01 Delta_et -0.1992583E+00 Pxc 0.6995258E+01 Qxc -0.4306428E+01 3,-1 156 3 +1 2.117208 1.330391 -1.055940 Rho 0.2355707E-01 |GRAD(Rho)| 0.4698245E-16 GRAD(Rho)x -0.4414076E-16 GRAD(Rho)y -0.1496630E-16 GRAD(Rho)z 0.5912200E-17 Laplacian 0.9303447E-01 (-1/4)Del**2(Rho)) -0.2325862E-01 Diamond 0.1189658E-01 Metallicity 0.1433853E+01 Ellipticity -0.4493892E+01 Gb(Abramov) 0.2106399E-01 Vb(Abramov) -0.1886935E-01 Hb(Abramov) 0.2194632E-02 Ex_ueg -0.4987467E-02 Ec_ueg -0.1016343E-02 Delta_ex -0.5775754E-02 Delta_ec 0.1722432E-02 Delta_et -0.1494456E-01 Pxc 0.4907269E+01 Qxc -0.3353256E+01 3,+1 157 3 -1 2.928732 2.057154 -0.817431 Rho 0.1140722E+00 |GRAD(Rho)| 0.2811897E-12 GRAD(Rho)x -0.1004497E-12 GRAD(Rho)y 0.1880015E-12 GRAD(Rho)z 0.1833929E-12 Laplacian 0.4472396E+00 (-1/4)Del**2(Rho)) -0.1118099E+00 Diamond 0.6515380E+00 Metallicity 0.4134019E+01 Ellipticity 0.1890391E-01 Gb(Abramov) 0.1515773E+00 Vb(Abramov) -0.1913447E+00 Hb(Abramov) -0.3976740E-01 Ex_ueg -0.4085934E-01 Ec_ueg -0.6185109E-02 Delta_ex -0.4494898E-01 Delta_ec 0.1209861E-01 Delta_et -0.1540850E+00 Pxc 0.6606082E+01 Qxc -0.3715220E+01 3,-1 158 3 -1 -2.836241 -0.591306 1.752390 Rho 0.1544716E+00 |GRAD(Rho)| 0.6130860E-15 GRAD(Rho)x -0.1483663E-16 GRAD(Rho)y -0.3854474E-15 GRAD(Rho)z -0.4765340E-15 Laplacian 0.6452395E+00 (-1/4)Del**2(Rho)) -0.1613099E+00 Diamond 0.1331809E+01 Metallicity 0.4749413E+01 Ellipticity 0.3191523E-01 Gb(Abramov) 0.2352278E+00 Vb(Abramov) -0.3091457E+00 Hb(Abramov) -0.7391790E-01 Ex_ueg -0.6121387E-01 Ec_ueg -0.8730372E-02 Delta_ex -0.6957811E-01 Delta_ec 0.1586304E-01 Delta_et -0.2110819E+00 Pxc 0.7011600E+01 Qxc -0.4386176E+01 3,-1 159 3 -1 -1.917985 3.031253 0.866439 Rho 0.1526633E+00 |GRAD(Rho)| 0.3789915E-14 GRAD(Rho)x -0.2238132E-14 GRAD(Rho)y -0.8370854E-15 GRAD(Rho)z -0.2941684E-14 Laplacian 0.5981768E+00 (-1/4)Del**2(Rho)) -0.1495442E+00 Diamond 0.1229479E+01 Metallicity 0.5023520E+01 Ellipticity 0.6350860E-01 Gb(Abramov) 0.2249025E+00 Vb(Abramov) -0.3002608E+00 Hb(Abramov) -0.7535831E-01 Ex_ueg -0.6026031E-01 Ec_ueg -0.8614223E-02 Delta_ex -0.6443349E-01 Delta_ec 0.1496095E-01 Delta_et -0.1992881E+00 Pxc 0.6995443E+01 Qxc -0.4306779E+01 3,-1 160 3 -1 -0.054033 3.084408 -3.299315 Rho 0.2398117E+00 |GRAD(Rho)| 0.3112103E-15 GRAD(Rho)x 0.9085614E-16 GRAD(Rho)y -0.2027458E-15 GRAD(Rho)z 0.2179246E-15 Laplacian 0.8542978E+00 (-1/4)Del**2(Rho)) -0.2135745E+00 Diamond 0.3035695E+01 Metallicity 0.7466569E+01 Ellipticity 0.1556398E-02 Gb(Abramov) 0.4081610E+00 Vb(Abramov) -0.6027476E+00 Hb(Abramov) -0.1945866E+00 Ex_ueg -0.1100387E+00 Ec_ueg -0.1442610E-01 Delta_ex -0.1032867E+00 Delta_ec 0.1903962E-01 Delta_et -0.2644443E+00 Pxc 0.7627754E+01 Qxc -0.5424830E+01 3,-1 161 3 -1 0.489986 1.641876 -1.745766 Rho 0.3732235E-01 |GRAD(Rho)| 0.1572889E-15 GRAD(Rho)x 0.3381086E-16 GRAD(Rho)y -0.1479554E-15 GRAD(Rho)z 0.4130175E-16 Laplacian 0.1525116E+00 (-1/4)Del**2(Rho)) -0.3812791E-01 Diamond 0.5327626E-01 Metallicity 0.1883324E+01 Ellipticity 0.1545207E-01 Gb(Abramov) 0.3738648E-01 Vb(Abramov) -0.3664504E-01 Hb(Abramov) 0.7414339E-03 Ex_ueg -0.9211783E-02 Ec_ueg -0.1727130E-02 Delta_ex -0.1175613E-01 Delta_ec 0.4704168E-02 Delta_et -0.4589296E-01 Pxc 0.5333577E+01 Qxc -0.2499089E+01 3,-1 162 3 +1 1.330326 1.055871 -2.117213 Rho 0.2356334E-01 |GRAD(Rho)| 0.8180600E-16 GRAD(Rho)x -0.1361305E-17 GRAD(Rho)y 0.3673942E-16 GRAD(Rho)z -0.7307929E-16 Laplacian 0.9306744E-01 (-1/4)Del**2(Rho)) -0.2326686E-01 Diamond 0.1190739E-01 Metallicity 0.1433981E+01 Ellipticity -0.4500851E+01 Gb(Abramov) 0.2107195E-01 Vb(Abramov) -0.1887703E-01 Hb(Abramov) 0.2194913E-02 Ex_ueg -0.4989238E-02 Ec_ueg -0.1016656E-02 Delta_ex -0.5778467E-02 Delta_ec 0.1723512E-02 Delta_et -0.1495482E-01 Pxc 0.4907498E+01 Qxc -0.3352729E+01 3,+1 163 3 -1 1.885710 0.550741 2.737453 Rho 0.1119697E+00 |GRAD(Rho)| 0.1371293E-15 GRAD(Rho)x -0.1356201E-15 GRAD(Rho)y -0.2066760E-17 GRAD(Rho)z -0.2018310E-16 Laplacian 0.4634937E+00 (-1/4)Del**2(Rho)) -0.1158734E+00 Diamond 0.6601298E+00 Metallicity 0.3867263E+01 Ellipticity 0.1111439E-01 Gb(Abramov) 0.1519344E+00 Vb(Abramov) -0.1879954E+00 Hb(Abramov) -0.3606102E-01 Ex_ueg -0.3985834E-01 Ec_ueg -0.6055672E-02 Delta_ex -0.4637591E-01 Delta_ec 0.1258831E-01 Delta_et -0.1597734E+00 Pxc 0.6581984E+01 Qxc -0.3684044E+01 3,-1 164 3 -1 3.084555 -3.299332 -0.054123 Rho 0.2398179E+00 |GRAD(Rho)| 0.8308527E-12 GRAD(Rho)x -0.5782100E-12 GRAD(Rho)y 0.5778963E-12 GRAD(Rho)z 0.1484092E-12 Laplacian 0.8542863E+00 (-1/4)Del**2(Rho)) -0.2135716E+00 Diamond 0.3035783E+01 Metallicity 0.7466993E+01 Ellipticity 0.1553672E-02 Gb(Abramov) 0.4081706E+00 Vb(Abramov) -0.6027697E+00 Hb(Abramov) -0.1945991E+00 Ex_ueg -0.1100425E+00 Ec_ueg -0.1442653E-01 Delta_ex -0.1032862E+00 Delta_ec 0.1903955E-01 Delta_et -0.2644449E+00 Pxc 0.7627790E+01 Qxc -0.5424825E+01 3,-1 165 3 -1 2.737499 -1.885746 -0.550761 Rho 0.1120159E+00 |GRAD(Rho)| 0.5335052E-15 GRAD(Rho)x -0.1619188E-15 GRAD(Rho)y -0.3498043E-15 GRAD(Rho)z 0.3688456E-15 Laplacian 0.4636949E+00 (-1/4)Del**2(Rho)) -0.1159237E+00 Diamond 0.6607379E+00 Metallicity 0.3868242E+01 Ellipticity 0.1110014E-01 Gb(Abramov) 0.1520193E+00 Vb(Abramov) -0.1881149E+00 Hb(Abramov) -0.3609560E-01 Ex_ueg -0.3988026E-01 Ec_ueg -0.6058511E-02 Delta_ex -0.4640047E-01 Delta_ec 0.1259242E-01 Delta_et -0.1598374E+00 Pxc 0.6582518E+01 Qxc -0.3684793E+01 3,-1 166 3 -1 -3.084496 3.299456 -0.054048 Rho 0.2398136E+00 |GRAD(Rho)| 0.1836946E-13 GRAD(Rho)x 0.7478393E-14 GRAD(Rho)y -0.1387096E-13 GRAD(Rho)z 0.9439660E-14 Laplacian 0.8542773E+00 (-1/4)Del**2(Rho)) -0.2135693E+00 Diamond 0.3035675E+01 Metallicity 0.7466847E+01 Ellipticity 0.1553774E-02 Gb(Abramov) 0.4081611E+00 Vb(Abramov) -0.6027529E+00 Hb(Abramov) -0.1945918E+00 Ex_ueg -0.1100399E+00 Ec_ueg -0.1442623E-01 Delta_ex -0.1032846E+00 Delta_ec 0.1903935E-01 Delta_et -0.2644416E+00 Pxc 0.7627765E+01 Qxc -0.5424796E+01 3,-1 167 3 -1 0.591332 1.752502 2.836244 Rho 0.1544212E+00 |GRAD(Rho)| 0.1725718E-15 GRAD(Rho)x -0.6934828E-16 GRAD(Rho)y -0.1266213E-15 GRAD(Rho)z -0.9454582E-16 Laplacian 0.6450110E+00 (-1/4)Del**2(Rho)) -0.1612527E+00 Diamond 0.1330831E+01 Metallicity 0.4748513E+01 Ellipticity 0.3189129E-01 Gb(Abramov) 0.2351203E+00 Vb(Abramov) -0.3089878E+00 Hb(Abramov) -0.7386754E-01 Ex_ueg -0.6118725E-01 Ec_ueg -0.8727133E-02 Delta_ex -0.6954798E-01 Delta_ec 0.1585899E-01 Delta_et -0.2110198E+00 Pxc 0.7011152E+01 Qxc -0.4385398E+01 3,-1 168 3 -1 -2.737439 1.885802 -0.550620 Rho 0.1119648E+00 |GRAD(Rho)| 0.3585117E-12 GRAD(Rho)x 0.6836673E-13 GRAD(Rho)y 0.2818572E-12 GRAD(Rho)z 0.2107442E-12 Laplacian 0.4634577E+00 (-1/4)Del**2(Rho)) -0.1158644E+00 Diamond 0.6600455E+00 Metallicity 0.3867282E+01 Ellipticity 0.1112549E-01 Gb(Abramov) 0.1519230E+00 Vb(Abramov) -0.1879816E+00 Hb(Abramov) -0.3605858E-01 Ex_ueg -0.3985602E-01 Ec_ueg -0.6055371E-02 Delta_ex -0.4637185E-01 Delta_ec 0.1258751E-01 Delta_et -0.1597619E+00 Pxc 0.6581928E+01 Qxc -0.3683958E+01 3,-1 169 3 -1 -0.866480 1.918275 3.031112 Rho 0.1527170E+00 |GRAD(Rho)| 0.3092457E-14 GRAD(Rho)x 0.2262039E-14 GRAD(Rho)y 0.1785586E-14 GRAD(Rho)z -0.1121675E-14 Laplacian 0.5983739E+00 (-1/4)Del**2(Rho)) -0.1495935E+00 Diamond 0.1230405E+01 Metallicity 0.5024806E+01 Ellipticity 0.6353478E-01 Gb(Abramov) 0.2250087E+00 Vb(Abramov) -0.3004239E+00 Hb(Abramov) -0.7541520E-01 Ex_ueg -0.6028854E-01 Ec_ueg -0.8617665E-02 Delta_ex -0.6446033E-01 Delta_ec 0.1496459E-01 Delta_et -0.1993461E+00 Pxc 0.6995925E+01 Qxc -0.4307523E+01 3,-1 170 3 -1 2.836264 -0.591323 -1.752452 Rho 0.1543828E+00 |GRAD(Rho)| 0.1774223E-13 GRAD(Rho)x -0.2160110E-14 GRAD(Rho)y 0.1214134E-13 GRAD(Rho)z -0.1275572E-13 Laplacian 0.6448529E+00 (-1/4)Del**2(Rho)) -0.1612132E+00 Diamond 0.1330131E+01 Metallicity 0.4747709E+01 Ellipticity 0.3185950E-01 Gb(Abramov) 0.2350411E+00 Vb(Abramov) -0.3088689E+00 Hb(Abramov) -0.7382784E-01 Ex_ueg -0.6116698E-01 Ec_ueg -0.8724665E-02 Delta_ex -0.6952688E-01 Delta_ec 0.1585650E-01 Delta_et -0.2109810E+00 Pxc 0.7010811E+01 Qxc -0.4384755E+01 3,-1 171 3 -1 3.084613 3.299253 0.054055 Rho 0.2398105E+00 |GRAD(Rho)| 0.7353156E-16 GRAD(Rho)x 0.2482823E-16 GRAD(Rho)y -0.4065758E-16 GRAD(Rho)z -0.5601259E-16 Laplacian 0.8542656E+00 (-1/4)Del**2(Rho)) -0.2135664E+00 Diamond 0.3035583E+01 Metallicity 0.7466788E+01 Ellipticity 0.1551771E-02 Gb(Abramov) 0.4081534E+00 Vb(Abramov) -0.6027404E+00 Hb(Abramov) -0.1945870E+00 Ex_ueg -0.1100380E+00 Ec_ueg -0.1442601E-01 Delta_ex -0.1032828E+00 Delta_ec 0.1903913E-01 Delta_et -0.2644383E+00 Pxc 0.7627747E+01 Qxc -0.5424763E+01 3,-1 172 3 -1 0.364203 -0.364222 0.364269 Rho 0.2017203E+00 |GRAD(Rho)| 0.5131939E-11 GRAD(Rho)x -0.3365921E-11 GRAD(Rho)y 0.2740037E-11 GRAD(Rho)z -0.2738534E-11 Laplacian 0.7143075E+00 (-1/4)Del**2(Rho)) -0.1785769E+00 Diamond 0.2291742E+01 Metallicity 0.6693356E+01 Ellipticity 0.5878577E-05 Gb(Abramov) 0.3182643E+00 Vb(Abramov) -0.4579518E+00 Hb(Abramov) -0.1396875E+00 Ex_ueg -0.8737446E-01 Ec_ueg -0.1183322E-01 Delta_ex -0.8413487E-01 Delta_ec 0.1948008E-01 Delta_et -0.2774220E+00 Pxc 0.7383828E+01 Qxc -0.4319022E+01 3,-1 173 3 -1 1.918168 -3.030981 0.866501 Rho 0.1526184E+00 |GRAD(Rho)| 0.4367877E-14 GRAD(Rho)x 0.2496037E-14 GRAD(Rho)y 0.9586380E-15 GRAD(Rho)z -0.3453862E-14 Laplacian 0.5980016E+00 (-1/4)Del**2(Rho)) -0.1495004E+00 Diamond 0.1228692E+01 Metallicity 0.5022527E+01 Ellipticity 0.6345964E-01 Gb(Abramov) 0.2248119E+00 Vb(Abramov) -0.3001234E+00 Hb(Abramov) -0.7531151E-01 Ex_ueg -0.6023667E-01 Ec_ueg -0.8611340E-02 Delta_ex -0.6441001E-01 Delta_ec 0.1495780E-01 Delta_et -0.1992387E+00 Pxc 0.6995040E+01 Qxc -0.4306116E+01 3,-1 174 3 -1 1.752189 -2.836248 -0.591147 Rho 0.1543799E+00 |GRAD(Rho)| 0.3229349E-15 GRAD(Rho)x 0.8973128E-16 GRAD(Rho)y -0.6437450E-18 GRAD(Rho)z 0.3102173E-15 Laplacian 0.6448333E+00 (-1/4)Del**2(Rho)) -0.1612083E+00 Diamond 0.1330041E+01 Metallicity 0.4747703E+01 Ellipticity 0.3186459E-01 Gb(Abramov) 0.2350338E+00 Vb(Abramov) -0.3088592E+00 Hb(Abramov) -0.7382544E-01 Ex_ueg -0.6116543E-01 Ec_ueg -0.8724477E-02 Delta_ex -0.6952426E-01 Delta_ec 0.1585578E-01 Delta_et -0.2109700E+00 Pxc 0.7010784E+01 Qxc -0.4384790E+01 3,-1 175 3 -1 0.054074 3.084702 3.299298 Rho 0.2398112E+00 |GRAD(Rho)| 0.1238598E-14 GRAD(Rho)x -0.2471710E-15 GRAD(Rho)y -0.8507734E-15 GRAD(Rho)z -0.8655728E-15 Laplacian 0.8542778E+00 (-1/4)Del**2(Rho)) -0.2135694E+00 Diamond 0.3035629E+01 Metallicity 0.7466719E+01 Ellipticity 0.1552485E-02 Gb(Abramov) 0.4081568E+00 Vb(Abramov) -0.6027441E+00 Hb(Abramov) -0.1945873E+00 Ex_ueg -0.1100384E+00 Ec_ueg -0.1442606E-01 Delta_ex -0.1032843E+00 Delta_ec 0.1903931E-01 Delta_et -0.2644405E+00 Pxc 0.7627751E+01 Qxc -0.5424793E+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 88 152 145 146 92 142 151 86 93 121 139 143 161 85 133 127 82 160 84 167 130 169 78 175 97 165 174 148 173 164 104 147 154 157 155 171 126 168 76 136 159 166 120 135 119 150 118 149 59 138 68 58 71 115 69 158 62 117 72 114 106 134 163 105 101 108 110 170 103 111 128 107 172 141 153 124 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 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 2.473149 1.876358 2.006327 1.891942 2.009621 1.717178 2.473196 1.876080 2.006380 1.891866 2.010053 1.717186 2.473192 1.876276 2.006453 1.891881 2.009736 1.717180 2.473344 1.876242 2.006704 1.891634 2.009780 1.717181 2.473419 2.006380 1.876351 2.009626 1.891894 1.717170 2.473378 2.006413 1.876112 2.010007 1.891832 1.717183 2.473375 2.006569 1.876338 2.009654 1.891772 1.717177 2.473531 2.006720 1.876400 2.009591 1.891591 1.717173 2.473176 1.876236 2.006556 1.891880 2.009686 1.717179 2.473216 1.876112 2.006375 1.891892 2.009978 1.717182 2.473217 1.876343 2.006547 1.891855 2.009526 1.717179 2.473398 1.876339 2.006773 1.891600 2.009607 1.717177 1.558958 1.558962 1.558948 1.558950 2.474227 1.876993 2.006823 1.892698 2.010468 1.717190 2.474275 1.876721 2.006984 1.892630 2.010817 1.717196 2.474270 1.876918 2.006950 1.892637 2.010502 1.717192 2.474425 1.876877 2.007200 1.892387 2.010543 1.717192 2.474496 2.006877 1.876987 2.010391 1.892650 1.717185 2.474459 2.006910 1.876747 2.010771 1.892586 1.717194 2.474452 2.007064 1.876973 2.010418 1.892528 1.717189 2.474610 2.007218 1.877042 2.010435 1.892354 1.717185 2.474256 1.876873 2.007161 1.892643 2.010450 1.717190 2.474293 1.876748 2.006979 1.892648 2.010744 1.717196 2.474299 1.876977 2.007153 1.892613 2.010372 1.717190 2.474476 1.876974 2.007376 1.892359 2.010371 1.717190 1.558959 1.558962 1.558948 1.558952 29 23 23 23 27 21 29 25 25 25 23 21 29 25 23 23 23 21 29 23 23 23 23 21 29 23 23 23 23 23 29 23 23 23 23 21 29 23 23 23 23 21 29 23 26 26 25 23 29 23 25 25 23 21 29 23 25 23 23 23 29 23 25 25 27 23 29 23 26 27 23 23 19 21 21 20 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 Mo Mo Mo Mo Mo Mo Mo Mo Mo 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 O O O O O O O O O O O O O O O O O P 2.3707 2.3707 2.3706 2.3706 2.3706 2.3707 2.3706 2.3706 2.3707 2.3707 2.3706 2.3706 -1.0465 -1.0464 -1.0464 -1.0464 -0.8947 -0.8948 -0.8947 -0.8948 -0.8947 -0.8948 -0.8947 -0.8948 -0.8948 -0.8948 -0.8947 -0.8948 -0.8848 -0.8848 -0.8848 -0.8848 -0.8848 -0.8848 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0.0399 0.0269 0.0269 0.0269 0.0269 0.0269 0.0269 0.0269 0.0269 0.0269 0.0269 0.0269 0.0269 0.0291 0.0291 0.0291 0.0291 0.0291 0.0291 0.0291 0.0291 0.0291 0.0291 0.0291 0.0291 0.0359 0.0359 0.0359 0.0359 0.0359 0.0359 0.0359 0.0359 0.0359 0.0359 0.0359 0.0359 0.8330 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 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 Mo Mo Mo Mo Mo Mo Mo Mo Mo 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 O O O O O O O O O O O O O O O O O P 3.182514 3.182476 3.182483 3.182467 3.182486 3.182462 3.182466 3.182459 3.182480 3.182481 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2.474809 2.474797 2.474824 2.474815 2.474830 2.474818 -0.925034 -0.925038 -0.925038 -0.925036 -0.975978 -0.976055 -0.975991 -0.975993 -0.975972 -0.976027 -0.975972 -0.975987 -0.976001 -0.976040 -0.975967 -0.975975 -0.940763 -0.940777 -0.940736 -0.940836 -0.940785 -0.940782 -0.940767 -0.940837 -0.940724 -0.940749 -0.940776 -0.940821 -0.628184 -0.628200 -0.628181 -0.628181 -0.628186 -0.628207 -0.628194 -0.628192 -0.628171 -0.628194 -0.628175 -0.628175 1.541921 0.00122584 -0.00116760 0.00055793 0.00178249 0.00519355 -0.00435519 0.00299888 -0.00500780 -0.00507238 -0.00018575 -347.8049 409.2715 -163.2173 -332.8332 -10.3149 -444.8989 Mar09-2023 12:00:50 Nodes: 1 Procs: 1 Mar09-2023 12:00:51 Nodes: 1 Procs: 1 0 Mar09-2023 12:00:51 Nodes: 1 Procs: 1 Mar09-2023 12:00:52 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar09-2023 12:00:53 Nodes: 1 Procs: 1 Mar09-2023 12:00:53 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar09-2023 12:00:54 Nodes: 1 Procs: 28 *** (NO TITLE) *** -3 -16.34888202 -16.34913521 -16.34933463 -16.34942455 -16.34951826 -16.34958580 -16.34964214 -16.34970722 -16.34973605 -16.34973335 GEOMETRY CONVERGED