ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:23 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.03 0.79 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:33 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.06 0.05 1.42 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:44 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 1.30 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:54 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.04 0.96 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Jun10-2024 15:28:59 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:05 Hydrogen (TZP) c11-9 c11-9 c11-9 c11-9 c11-9 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.82 0.03 2.12 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 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0.3190716E+03 3,-3 15 3 -3 0.976762 0.901421 -1.017224 Rho 0.3190409E+03 3,-3 16 3 -3 -0.967155 0.960503 0.964607 Rho 0.3190258E+03 3,-3 17 3 -3 -2.985620 -1.136075 1.158380 Rho 0.3189374E+03 3,-3 18 3 -3 3.014012 -1.189954 -1.117584 Rho 0.3188872E+03 3,-3 19 3 -3 -2.993766 1.125221 -1.071208 Rho 0.3189937E+03 3,-3 20 3 -3 2.978170 1.205853 1.195886 Rho 0.3189139E+03 3,-3 21 3 -3 1.362053 -1.124821 -3.298006 Rho 0.3194883E+03 3,-3 22 3 -3 1.099492 1.140122 3.001739 Rho 0.3190250E+03 3,-3 23 3 -3 -1.169874 1.138984 -2.996142 Rho 0.3189074E+03 3,-3 24 3 -3 -1.167959 -1.151244 3.048479 Rho 0.3189322E+03 3,-3 25 3 -3 -1.130866 3.005398 -1.110840 Rho 0.3189306E+03 3,-3 26 3 -3 -1.176626 -2.999631 1.203669 Rho 0.3188758E+03 3,-3 27 3 -3 1.144416 3.049775 1.163917 Rho 0.3189859E+03 3,-3 28 3 -3 1.204281 -3.269931 -1.109429 Rho 0.3192405E+03 3,-3 29 3 -3 3.394527 -1.482584 1.556209 Rho 0.3191318E+03 3,-3 30 3 -3 -3.466183 -1.583769 -1.552915 Rho 0.3189145E+03 3,-3 31 3 -3 3.460609 1.575813 -1.452582 Rho 0.3190725E+03 3,-3 32 3 -3 -3.438532 1.501831 1.566890 Rho 0.3190273E+03 3,-3 33 3 -3 1.464871 -1.477359 3.439630 Rho 0.3190000E+03 3,-3 34 3 -3 1.560158 1.567680 -3.401664 Rho 0.3190829E+03 3,-3 35 3 -3 -1.536033 1.505666 3.474508 Rho 0.3191018E+03 3,-3 36 3 -3 -1.858507 -1.394926 -3.815242 Rho 0.3192834E+03 3,-3 37 3 -3 -1.590086 -3.665591 -1.289564 Rho 0.3187195E+03 3,-3 38 3 -3 -1.536884 3.368987 1.567969 Rho 0.3190310E+03 3,-3 39 3 -3 1.524901 -3.422762 1.601471 Rho 0.3189351E+03 3,-3 40 3 -3 1.486322 3.430279 -1.467945 Rho 0.3189971E+03 3,-3 41 3 -3 -0.233416 -3.733979 3.789690 Rho 0.3193047E+03 3,-3 42 3 -3 3.915237 -0.169961 -3.683076 Rho 0.3193858E+03 3,-3 43 3 -3 -0.220689 3.721051 -3.741081 Rho 0.3194467E+03 3,-3 44 3 -3 0.244372 3.753599 3.768515 Rho 0.3194183E+03 3,-3 45 3 -3 3.760481 -3.785921 -0.154033 Rho 0.3192622E+03 3,-3 46 3 -3 3.747951 3.799356 0.215396 Rho 0.3192937E+03 3,-3 47 3 -3 -3.750232 3.713623 -0.215400 Rho 0.3192728E+03 3,-3 48 3 -3 -3.878363 -3.646748 0.276031 Rho 0.3193069E+03 3,-3 49 3 -3 -3.916694 0.374496 -3.584582 Rho 0.3192528E+03 3,-3 50 3 -3 -3.765135 -0.211973 3.802397 Rho 0.3194354E+03 3,-3 51 3 -3 3.741953 0.216317 3.775142 Rho 0.3194291E+03 3,-3 52 3 -3 -0.618332 -3.440247 -1.305213 Rho 0.4398003E+00 3,-3 53 3 +1 -1.675523 0.491492 -0.542640 Rho 0.1016770E-01 |GRAD(Rho)| 0.4642229E-12 GRAD(Rho)x -0.3223189E-12 GRAD(Rho)y -0.2821728E-12 GRAD(Rho)z 0.1788628E-12 Laplacian 0.3871542E-01 (-1/4)Del**2(Rho)) -0.9678854E-02 Diamond 0.1319591E-02 Metallicity 0.8493767E+00 Ellipticity -0.1574752E+01 Gb(Abramov) 0.7822735E-02 Vb(Abramov) -0.5966616E-02 Hb(Abramov) 0.1856119E-02 Ex_ueg -0.1626854E-02 Ec_ueg -0.3756583E-03 Delta_ex -0.1852173E-02 Delta_ec 0.5560829E-03 Delta_et -0.3958400E-02 Pxc 0.4330675E+01 Qxc -0.3330750E+01 3,+1 54 3 +1 -2.174426 1.123368 1.342083 Rho 0.2671108E-01 |GRAD(Rho)| 0.1036114E-15 GRAD(Rho)x -0.5480269E-16 GRAD(Rho)y -0.3720736E-16 GRAD(Rho)z 0.7967187E-16 Laplacian 0.1060997E+00 (-1/4)Del**2(Rho)) -0.2652493E-01 Diamond 0.1572249E-01 Metallicity 0.1550189E+01 Ellipticity -0.4701894E+01 Gb(Abramov) 0.2453640E-01 Vb(Abramov) -0.2254786E-01 Hb(Abramov) 0.1988535E-02 Ex_ueg -0.5897125E-02 Ec_ueg -0.1175244E-02 Delta_ex -0.6768642E-02 Delta_ec 0.1892985E-02 Delta_et -0.1696405E-01 Pxc 0.5017786E+01 Qxc -0.3575644E+01 3,+1 55 3 +1 -1.093129 1.356805 2.192595 Rho 0.2426737E-01 |GRAD(Rho)| 0.3745902E-16 GRAD(Rho)x 0.2515701E-16 GRAD(Rho)y 0.1506726E-16 GRAD(Rho)z -0.2330838E-16 Laplacian 0.9467587E-01 (-1/4)Del**2(Rho)) -0.2366897E-01 Diamond 0.1185073E-01 Metallicity 0.1480512E+01 Ellipticity -0.3429906E+01 Gb(Abramov) 0.2161968E-01 Vb(Abramov) -0.1957038E-01 Hb(Abramov) 0.2049292E-02 Ex_ueg -0.5188981E-02 Ec_ueg -0.1051899E-02 Delta_ex -0.5837811E-02 Delta_ec 0.1599493E-02 Delta_et -0.1401823E-01 Pxc 0.4932967E+01 Qxc -0.3649789E+01 3,+1 56 3 -1 -3.285891 0.090539 -3.168381 Rho 0.2328464E+00 |GRAD(Rho)| 0.5612637E-14 GRAD(Rho)x 0.4364131E-14 GRAD(Rho)y -0.1981976E-14 GRAD(Rho)z 0.2920244E-14 Laplacian 0.8639485E+00 (-1/4)Del**2(Rho)) -0.2159871E+00 Diamond 0.2940220E+01 Metallicity 0.7029232E+01 Ellipticity 0.2258330E-01 Gb(Abramov) 0.3970287E+00 Vb(Abramov) -0.5780702E+00 Hb(Abramov) -0.1810415E+00 Ex_ueg -0.1057981E+00 Ec_ueg -0.1394601E-01 Delta_ex -0.1035287E+00 Delta_ec 0.1919628E-01 Delta_et -0.2653416E+00 Pxc 0.7586263E+01 Qxc -0.5393165E+01 3,-1 57 3 +1 -1.677188 -0.526153 0.544564 Rho 0.9548897E-02 |GRAD(Rho)| 0.1937854E-14 GRAD(Rho)x 0.4356722E-15 GRAD(Rho)y 0.1759402E-14 GRAD(Rho)z 0.6855462E-15 Laplacian 0.3646070E-01 (-1/4)Del**2(Rho)) -0.9115175E-02 Diamond 0.1162992E-02 Metallicity 0.8122883E+00 Ellipticity -0.1565125E+01 Gb(Abramov) 0.7310809E-02 Vb(Abramov) -0.5506442E-02 Hb(Abramov) 0.1804367E-02 Ex_ueg -0.1496199E-02 Ec_ueg -0.3476339E-03 Delta_ex -0.1725315E-02 Delta_ec 0.5393267E-03 Delta_et -0.3765863E-02 Pxc 0.4303951E+01 Qxc -0.3199016E+01 3,+1 58 3 -1 -3.295448 -3.126122 0.102450 Rho 0.2409138E+00 |GRAD(Rho)| 0.9978587E-15 GRAD(Rho)x 0.7716267E-15 GRAD(Rho)y 0.6323067E-15 GRAD(Rho)z -0.2241588E-16 Laplacian 0.8984272E+00 (-1/4)Del**2(Rho)) -0.2246068E+00 Diamond 0.3175033E+01 Metallicity 0.7154289E+01 Ellipticity 0.2378505E-02 Gb(Abramov) 0.4175549E+00 Vb(Abramov) -0.6105029E+00 Hb(Abramov) -0.1929481E+00 Ex_ueg -0.1107135E+00 Ec_ueg -0.1450231E-01 Delta_ex -0.1085660E+00 Delta_ec 0.1966375E-01 Delta_et -0.2716980E+00 Pxc 0.7634201E+01 Qxc -0.5521122E+01 3,-1 59 3 +1 -2.905757 0.222589 0.288464 Rho 0.6208267E-02 |GRAD(Rho)| 0.1204746E-16 GRAD(Rho)x -0.4294131E-18 GRAD(Rho)y -0.8821056E-17 GRAD(Rho)z 0.8194261E-17 Laplacian 0.2626513E-01 (-1/4)Del**2(Rho)) -0.6566283E-02 Diamond 0.6859969E-03 Metallicity 0.5501962E+00 Ellipticity -0.1870132E+01 Gb(Abramov) 0.4979646E-02 Vb(Abramov) -0.3393009E-02 Hb(Abramov) 0.1586637E-02 Ex_ueg -0.8427115E-03 Ec_ueg -0.1992744E-03 Delta_ex -0.1269583E-02 Delta_ec 0.6611866E-03 Delta_et -0.3896447E-02 Pxc 0.4228900E+01 Qxc -0.1920159E+01 3,+1 60 3 +1 -0.198942 2.939851 0.234557 Rho 0.5764776E-02 |GRAD(Rho)| 0.1010283E-15 GRAD(Rho)x -0.1729042E-16 GRAD(Rho)y 0.1177584E-16 GRAD(Rho)z -0.9883868E-16 Laplacian 0.2406856E-01 (-1/4)Del**2(Rho)) -0.6017140E-02 Diamond 0.6258419E-03 Metallicity 0.5306406E+00 Ellipticity -0.2325408E+01 Gb(Abramov) 0.4543583E-02 Vb(Abramov) -0.3070026E-02 Hb(Abramov) 0.1473557E-02 Ex_ueg -0.7634167E-03 Ec_ueg -0.1799713E-03 Delta_ex -0.1188983E-02 Delta_ec 0.6840555E-03 Delta_et -0.3906292E-02 Pxc 0.4241881E+01 Qxc -0.1738138E+01 3,+1 61 3 -1 -2.997472 1.955150 0.865736 Rho 0.1238403E+00 |GRAD(Rho)| 0.1442253E-14 GRAD(Rho)x 0.3127449E-15 GRAD(Rho)y 0.7615165E-15 GRAD(Rho)z -0.1184220E-14 Laplacian 0.4828404E+00 (-1/4)Del**2(Rho)) -0.1207101E+00 Diamond 0.7834733E+00 Metallicity 0.4391166E+01 Ellipticity 0.2596521E-01 Gb(Abramov) 0.1688164E+00 Vb(Abramov) -0.2169227E+00 Hb(Abramov) -0.4810631E-01 Ex_ueg -0.4558983E-01 Ec_ueg -0.6790609E-02 Delta_ex -0.4957655E-01 Delta_ec 0.1297520E-01 Delta_et -0.1679255E+00 Pxc 0.6713658E+01 Qxc -0.3820869E+01 3,-1 62 3 +1 0.548163 1.678656 0.474816 Rho 0.7444955E-02 |GRAD(Rho)| 0.1042226E-13 GRAD(Rho)x 0.4563962E-14 GRAD(Rho)y -0.6791668E-14 GRAD(Rho)z -0.6454994E-14 Laplacian 0.2894290E-01 (-1/4)Del**2(Rho)) -0.7235726E-02 Diamond 0.6458196E-03 Metallicity 0.6758358E+00 Ellipticity -0.1408774E+01 Gb(Abramov) 0.5638844E-02 Vb(Abramov) -0.4041963E-02 Hb(Abramov) 0.1596882E-02 Ex_ueg -0.1073663E-02 Ec_ueg -0.2536004E-03 Delta_ex -0.1280241E-02 Delta_ec 0.4164007E-03 Delta_et -0.2734278E-02 Pxc 0.4233678E+01 Qxc -0.3074541E+01 3,+1 63 3 -1 -3.046200 -2.009094 -0.875735 Rho 0.1488846E+00 |GRAD(Rho)| 0.1456646E-13 GRAD(Rho)x 0.5176334E-14 GRAD(Rho)y -0.7691466E-14 GRAD(Rho)z 0.1123515E-13 Laplacian 0.5806537E+00 (-1/4)Del**2(Rho)) -0.1451634E+00 Diamond 0.1170315E+01 Metallicity 0.4963396E+01 Ellipticity 0.6619928E-01 Gb(Abramov) 0.2168595E+00 Vb(Abramov) -0.2885557E+00 Hb(Abramov) -0.7169612E-01 Ex_ueg -0.5827981E-01 Ec_ueg -0.8372151E-02 Delta_ex -0.6228395E-01 Delta_ec 0.1483387E-01 Delta_et -0.1974311E+00 Pxc 0.6961151E+01 Qxc -0.4198767E+01 3,-1 64 3 +3 -1.121991 -1.093648 1.168665 Rho 0.5324014E-02 |GRAD(Rho)| 0.8989436E-17 GRAD(Rho)x -0.2604727E-17 GRAD(Rho)y -0.5990596E-17 GRAD(Rho)z 0.6175606E-17 Laplacian 0.2081230E-01 (-1/4)Del**2(Rho)) -0.5203075E-02 Diamond 0.1575867E-03 Metallicity 0.5374750E+00 Ellipticity -0.2219503E+00 Gb(Abramov) 0.3934804E-02 Vb(Abramov) -0.2666533E-02 Hb(Abramov) 0.1268271E-02 Ex_ueg -0.6866002E-03 Ec_ueg -0.1608830E-03 Delta_ex -0.7310251E-03 Delta_ec 0.9043594E-04 Delta_et -0.7271904E-03 Pxc 0.4267700E+01 Qxc -0.8083348E+01 3,+3 65 3 -1 -2.043343 -3.109029 -0.722025 Rho 0.1450270E+00 |GRAD(Rho)| 0.1770097E-15 GRAD(Rho)x 0.2579046E-16 GRAD(Rho)y 0.5610746E-17 GRAD(Rho)z -0.1750309E-15 Laplacian 0.5431522E+00 (-1/4)Del**2(Rho)) -0.1357881E+00 Diamond 0.1080003E+01 Metallicity 0.5078937E+01 Ellipticity 0.1160915E+00 Gb(Abramov) 0.2054685E+00 Vb(Abramov) -0.2751490E+00 Hb(Abramov) -0.6968048E-01 Ex_ueg -0.5627516E-01 Ec_ueg -0.8125932E-02 Delta_ex -0.5808860E-01 Delta_ec 0.1432402E-01 Delta_et -0.1907093E+00 Pxc 0.6925379E+01 Qxc -0.4055329E+01 3,-1 66 3 -1 -3.015829 -0.950379 -2.070392 Rho 0.1301661E+00 |GRAD(Rho)| 0.2335603E-15 GRAD(Rho)x 0.6132519E-16 GRAD(Rho)y -0.1659507E-15 GRAD(Rho)z 0.1524795E-15 Laplacian 0.4968575E+00 (-1/4)Del**2(Rho)) -0.1242144E+00 Diamond 0.8634971E+00 Metallicity 0.4636724E+01 Ellipticity 0.3314526E-01 Gb(Abramov) 0.1788009E+00 Vb(Abramov) -0.2333874E+00 Hb(Abramov) -0.5458650E-01 Ex_ueg -0.4872094E-01 Ec_ueg -0.7186224E-02 Delta_ex -0.5171936E-01 Delta_ec 0.1335766E-01 Delta_et -0.1746285E+00 Pxc 0.6779769E+01 Qxc -0.3871889E+01 3,-1 67 3 +1 -2.887489 -0.299049 -0.281212 Rho 0.6004007E-02 |GRAD(Rho)| 0.2163282E-13 GRAD(Rho)x -0.1835328E-13 GRAD(Rho)y 0.8474358E-14 GRAD(Rho)z 0.7702029E-14 Laplacian 0.2487245E-01 (-1/4)Del**2(Rho)) -0.6218113E-02 Diamond 0.5415962E-03 Metallicity 0.5494942E+00 Ellipticity -0.1490147E+01 Gb(Abramov) 0.4714878E-02 Vb(Abramov) -0.3211644E-02 Hb(Abramov) 0.1503235E-02 Ex_ueg -0.8059472E-03 Ec_ueg -0.1903719E-03 Delta_ex -0.1135971E-02 Delta_ec 0.5230330E-03 Delta_et -0.3103267E-02 Pxc 0.4233541E+01 Qxc -0.2171892E+01 3,+1 68 3 -1 -2.913594 0.003833 0.052026 Rho 0.6361538E-02 |GRAD(Rho)| 0.1219487E-15 GRAD(Rho)x -0.7729555E-16 GRAD(Rho)y 0.5856726E-16 GRAD(Rho)z 0.7393760E-16 Laplacian 0.2525339E-01 (-1/4)Del**2(Rho)) -0.6313348E-02 Diamond 0.9553134E-03 Metallicity 0.5959781E+00 Ellipticity 0.9718684E+00 Gb(Abramov) 0.4836002E-02 Vb(Abramov) -0.3358655E-02 Hb(Abramov) 0.1477346E-02 Ex_ueg -0.8705650E-03 Ec_ueg -0.2059678E-03 Delta_ex -0.1411403E-02 Delta_ec 0.9648261E-03 Delta_et -0.5565589E-02 Pxc 0.4226704E+01 Qxc -0.1462858E+01 3,-1 69 3 -1 -1.803598 -1.730071 -0.558650 Rho 0.5397618E-01 |GRAD(Rho)| 0.1650594E-13 GRAD(Rho)x -0.1090382E-13 GRAD(Rho)y -0.1091231E-13 GRAD(Rho)z 0.5871492E-14 Laplacian 0.2147389E+00 (-1/4)Del**2(Rho)) -0.5368473E-01 Diamond 0.1202361E+00 Metallicity 0.2473846E+01 Ellipticity 0.1683057E-01 Gb(Abramov) 0.5792445E-01 Vb(Abramov) -0.6216417E-01 Hb(Abramov) -0.4239716E-02 Ex_ueg -0.1506565E-01 Ec_ueg -0.2635813E-02 Delta_ex -0.1799893E-01 Delta_ec 0.6356114E-02 Delta_et -0.6835449E-01 Pxc 0.5715751E+01 Qxc -0.2831750E+01 3,-1 70 3 +1 -0.583310 0.503357 -1.677659 Rho 0.9243084E-02 |GRAD(Rho)| 0.9366482E-12 GRAD(Rho)x -0.4100605E-12 GRAD(Rho)y -0.1150230E-12 GRAD(Rho)z -0.8342241E-12 Laplacian 0.3558949E-01 (-1/4)Del**2(Rho)) -0.8897371E-02 Diamond 0.1090748E-02 Metallicity 0.7882300E+00 Ellipticity -0.1541979E+01 Gb(Abramov) 0.7100443E-02 Vb(Abramov) -0.5303516E-02 Hb(Abramov) 0.1796928E-02 Ex_ueg -0.1432653E-02 Ec_ueg -0.3338445E-03 Delta_ex -0.1672254E-02 Delta_ec 0.5299683E-03 Delta_et -0.3666793E-02 Pxc 0.4291377E+01 Qxc -0.3155386E+01 3,+1 71 3 +3 -2.301184 -0.014979 0.033559 Rho 0.5355521E-02 |GRAD(Rho)| 0.1052665E-13 GRAD(Rho)x 0.7983430E-14 GRAD(Rho)y 0.5120338E-14 GRAD(Rho)z 0.4566976E-14 Laplacian 0.2198294E-01 (-1/4)Del**2(Rho)) -0.5495736E-02 Diamond 0.2284195E-03 Metallicity 0.5138821E+00 Ellipticity -0.4110578E+00 Gb(Abramov) 0.4134517E-02 Vb(Abramov) -0.2773299E-02 Hb(Abramov) 0.1361219E-02 Ex_ueg -0.6920232E-03 Ec_ueg -0.1622443E-03 Delta_ex -0.8247760E-03 Delta_ec 0.1872210E-03 Delta_et -0.1240449E-02 Pxc 0.4265317E+01 Qxc -0.4405360E+01 3,+3 72 3 -1 -3.001057 0.869285 2.051571 Rho 0.1416861E+00 |GRAD(Rho)| 0.9543993E-13 GRAD(Rho)x -0.6550468E-13 GRAD(Rho)y -0.2025101E-13 GRAD(Rho)z -0.6639136E-13 Laplacian 0.5530522E+00 (-1/4)Del**2(Rho)) -0.1382631E+00 Diamond 0.1035262E+01 Metallicity 0.4797987E+01 Ellipticity 0.6436826E-01 Gb(Abramov) 0.2027394E+00 Vb(Abramov) -0.2672158E+00 Hb(Abramov) -0.6447637E-01 Ex_ueg -0.5455334E-01 Ec_ueg -0.7913447E-02 Delta_ex -0.5844752E-01 Delta_ec 0.1401380E-01 Delta_et -0.1845661E+00 Pxc 0.6893752E+01 Qxc -0.4170713E+01 3,-1 73 3 +1 -2.248494 -1.206051 -1.362450 Rho 0.3113193E-01 |GRAD(Rho)| 0.3327169E-16 GRAD(Rho)x 0.2459453E-16 GRAD(Rho)y 0.8034982E-17 GRAD(Rho)z 0.2091778E-16 Laplacian 0.1298737E+00 (-1/4)Del**2(Rho)) -0.3246843E-01 Diamond 0.2422578E-01 Metallicity 0.1634689E+01 Ellipticity -0.6004805E+01 Gb(Abramov) 0.3049158E-01 Vb(Abramov) -0.2851474E-01 Hb(Abramov) 0.1976843E-02 Ex_ueg -0.7233132E-02 Ec_ueg -0.1402140E-02 Delta_ex -0.8669317E-02 Delta_ec 0.2384195E-02 Delta_et -0.2217275E-01 Pxc 0.5158638E+01 Qxc -0.3636160E+01 3,+1 74 3 -1 -2.767279 0.475802 -1.829314 Rho 0.8092319E-01 |GRAD(Rho)| 0.4391785E-16 GRAD(Rho)x 0.1176613E-16 GRAD(Rho)y -0.3060669E-16 GRAD(Rho)z 0.2921586E-16 Laplacian 0.3424044E+00 (-1/4)Del**2(Rho)) -0.8560110E-01 Diamond 0.3298652E+00 Metallicity 0.3046928E+01 Ellipticity 0.4357854E-02 Gb(Abramov) 0.1005375E+00 Vb(Abramov) -0.1154738E+00 Hb(Abramov) -0.1493636E-01 Ex_ueg -0.2585130E-01 Ec_ueg -0.4184761E-02 Delta_ex -0.3178915E-01 Delta_ec 0.9995742E-02 Delta_et -0.1187527E+00 Pxc 0.6177485E+01 Qxc -0.3180269E+01 3,-1 75 3 -1 -2.769956 1.750235 -0.540485 Rho 0.1859100E+00 |GRAD(Rho)| 0.1235214E-14 GRAD(Rho)x 0.2836002E-15 GRAD(Rho)y 0.9556700E-15 GRAD(Rho)z 0.7293970E-15 Laplacian 0.7636235E+00 (-1/4)Del**2(Rho)) -0.1909059E+00 Diamond 0.1976312E+01 Metallicity 0.5464767E+01 Ellipticity 0.1236812E-01 Gb(Abramov) 0.3011466E+00 Vb(Abramov) -0.4113873E+00 Hb(Abramov) -0.1102407E+00 Ex_ueg -0.7836496E-01 Ec_ueg -0.1078068E-01 Delta_ex -0.8631698E-01 Delta_ec 0.1798553E-01 Delta_et -0.2445493E+00 Pxc 0.7269017E+01 Qxc -0.4799247E+01 3,-1 76 3 -1 -1.729329 0.550268 1.759982 Rho 0.4128551E-01 |GRAD(Rho)| 0.1044154E-15 GRAD(Rho)x 0.3144144E-16 GRAD(Rho)y 0.3432696E-16 GRAD(Rho)z -0.9346479E-16 Laplacian 0.1712121E+00 (-1/4)Del**2(Rho)) -0.4280302E-01 Diamond 0.6831416E-01 Metallicity 0.1984914E+01 Ellipticity 0.1184288E-01 Gb(Abramov) 0.4269539E-01 Vb(Abramov) -0.4258777E-01 Hb(Abramov) 0.1076235E-03 Ex_ueg -0.1053858E-01 Ec_ueg -0.1939158E-02 Delta_ex -0.1351283E-01 Delta_ec 0.5249209E-02 Delta_et -0.5263315E-01 Pxc 0.5434615E+01 Qxc -0.2574261E+01 3,-1 77 3 -1 -1.717703 1.686860 0.510236 Rho 0.5089613E-01 |GRAD(Rho)| 0.1059331E-15 GRAD(Rho)x 0.2350389E-16 GRAD(Rho)y 0.7562607E-16 GRAD(Rho)z 0.7035689E-16 Laplacian 0.2036243E+00 (-1/4)Del**2(Rho)) -0.5090606E-01 Diamond 0.1048908E+00 Metallicity 0.2365511E+01 Ellipticity 0.2080283E-01 Gb(Abramov) 0.5400718E-01 Vb(Abramov) -0.5710830E-01 Hb(Abramov) -0.3101119E-02 Ex_ueg -0.1393044E-01 Ec_ueg -0.2464468E-02 Delta_ex -0.1680001E-01 Delta_ec 0.6002133E-02 Delta_et -0.6356585E-01 Pxc 0.5652512E+01 Qxc -0.2799007E+01 3,-1 78 3 +1 -2.027188 1.996268 2.068554 Rho 0.1226784E-01 |GRAD(Rho)| 0.1533946E-16 GRAD(Rho)x 0.8926291E-17 GRAD(Rho)y -0.1663440E-17 GRAD(Rho)z -0.1236339E-16 Laplacian 0.5743211E-01 (-1/4)Del**2(Rho)) -0.1435803E-01 Diamond 0.1892400E-02 Metallicity 0.7829583E+00 Ellipticity -0.1130182E+01 Gb(Abramov) 0.1144564E-01 Vb(Abramov) -0.8533254E-02 Hb(Abramov) 0.2912386E-02 Ex_ueg -0.2089661E-02 Ec_ueg -0.4719475E-03 Delta_ex -0.2704951E-02 Delta_ec 0.5051690E-03 Delta_et -0.3990875E-02 Pxc 0.4427741E+01 Qxc -0.5354547E+01 3,+1 79 3 +3 -1.913544 1.886788 1.959141 Rho 0.1217733E-01 |GRAD(Rho)| 0.2249931E-16 GRAD(Rho)x -0.1155970E-16 GRAD(Rho)y 0.1882478E-16 GRAD(Rho)z -0.4268488E-17 Laplacian 0.5613144E-01 (-1/4)Del**2(Rho)) -0.1403286E-01 Diamond 0.1359327E-02 Metallicity 0.7912741E+00 Ellipticity -0.7925428E+00 Gb(Abramov) 0.1120588E-01 Vb(Abramov) -0.8378900E-02 Hb(Abramov) 0.2826980E-02 Ex_ueg -0.2069130E-02 Ec_ueg -0.4677613E-03 Delta_ex -0.2504686E-02 Delta_ec 0.2552288E-03 Delta_et -0.2281560E-02 Pxc 0.4423474E+01 Qxc -0.9813493E+01 3,+3 80 3 +3 1.083144 1.080589 1.062269 Rho 0.4470343E-02 |GRAD(Rho)| 0.3776030E-15 GRAD(Rho)x -0.3106695E-15 GRAD(Rho)y -0.2128772E-15 GRAD(Rho)z -0.2741792E-16 Laplacian 0.1745112E-01 (-1/4)Del**2(Rho)) -0.4362779E-02 Diamond 0.1141489E-03 Metallicity 0.4790248E+00 Ellipticity -0.2652108E+00 Gb(Abramov) 0.3256833E-02 Vb(Abramov) -0.2150886E-02 Hb(Abramov) 0.1105947E-02 Ex_ueg -0.5438839E-03 Ec_ueg -0.1241912E-03 Delta_ex -0.5948812E-03 Delta_ec 0.9534001E-04 Delta_et -0.6862438E-03 Pxc 0.4379408E+01 Qxc -0.6239576E+01 3,+3 81 3 +1 -0.636714 -1.681821 0.486199 Rho 0.9186355E-02 |GRAD(Rho)| 0.8619880E-15 GRAD(Rho)x 0.6562260E-15 GRAD(Rho)y 0.5382475E-15 GRAD(Rho)z 0.1505997E-15 Laplacian 0.3525876E-01 (-1/4)Del**2(Rho)) -0.8814689E-02 Diamond 0.1017877E-02 Metallicity 0.7875017E+00 Ellipticity -0.1475940E+01 Gb(Abramov) 0.7033390E-02 Vb(Abramov) -0.5252091E-02 Hb(Abramov) 0.1781299E-02 Ex_ueg -0.1420941E-02 Ec_ueg -0.3312910E-03 Delta_ex -0.1631983E-02 Delta_ec 0.4854768E-03 Delta_et -0.3383326E-02 Pxc 0.4289102E+01 Qxc -0.3361608E+01 3,+1 82 3 +1 -0.045429 -2.259564 -1.047125 Rho 0.6330464E-02 |GRAD(Rho)| 0.1014210E-15 GRAD(Rho)x 0.2839894E-16 GRAD(Rho)y -0.8503411E-16 GRAD(Rho)z -0.4742275E-16 Laplacian 0.2468747E-01 (-1/4)Del**2(Rho)) -0.6171868E-02 Diamond 0.8125859E-03 Metallicity 0.6046849E+00 Ellipticity -0.6628300E+01 Gb(Abramov) 0.4736585E-02 Vb(Abramov) -0.3301301E-02 Hb(Abramov) 0.1435284E-02 Ex_ueg -0.8648998E-03 Ec_ueg -0.2046099E-03 Delta_ex -0.1300423E-02 Delta_ec 0.8037775E-03 Delta_et -0.4674579E-02 Pxc 0.4227068E+01 Qxc -0.1617889E+01 3,+1 83 3 -1 -1.846607 -2.755233 0.590017 Rho 0.1217739E+00 |GRAD(Rho)| 0.1726422E-15 GRAD(Rho)x 0.2125036E-16 GRAD(Rho)y -0.2202286E-16 GRAD(Rho)z -0.1699080E-15 Laplacian 0.5020731E+00 (-1/4)Del**2(Rho)) -0.1255183E+00 Diamond 0.7947490E+00 Metallicity 0.4106166E+01 Ellipticity 0.2293393E-01 Gb(Abramov) 0.1695787E+00 Vb(Abramov) -0.2136391E+00 Hb(Abramov) -0.4406039E-01 Ex_ueg -0.4457835E-01 Ec_ueg -0.6661961E-02 Delta_ex -0.5129714E-01 Delta_ec 0.1346030E-01 Delta_et -0.1735556E+00 Pxc 0.6691476E+01 Qxc -0.3810996E+01 3,-1 84 3 -1 -2.791720 -1.777001 0.575515 Rho 0.1542385E+00 |GRAD(Rho)| 0.2812335E-15 GRAD(Rho)x 0.2541099E-16 GRAD(Rho)y 0.2364103E-15 GRAD(Rho)z 0.1501891E-15 Laplacian 0.6483072E+00 (-1/4)Del**2(Rho)) -0.1620768E+00 Diamond 0.1346909E+01 Metallicity 0.4715058E+01 Ellipticity 0.2053268E-01 Gb(Abramov) 0.2354181E+00 Vb(Abramov) -0.3087594E+00 Hb(Abramov) -0.7334130E-01 Ex_ueg -0.6109075E-01 Ec_ueg -0.8715389E-02 Delta_ex -0.6999016E-01 Delta_ec 0.1613635E-01 Delta_et -0.2151491E+00 Pxc 0.7009526E+01 Qxc -0.4337421E+01 3,-1 85 3 +1 -1.738568 1.719456 -1.725898 Rho 0.1163966E-01 |GRAD(Rho)| 0.4935435E-15 GRAD(Rho)x 0.1872086E-15 GRAD(Rho)y 0.4054135E-15 GRAD(Rho)z 0.2101857E-15 Laplacian 0.5688636E-01 (-1/4)Del**2(Rho)) -0.1422159E-01 Diamond 0.2195787E-02 Metallicity 0.7241673E+00 Ellipticity -0.1281349E+01 Gb(Abramov) 0.1119753E-01 Vb(Abramov) -0.8173466E-02 Hb(Abramov) 0.3024061E-02 Ex_ueg -0.1948224E-02 Ec_ueg -0.4429601E-03 Delta_ex -0.2776753E-02 Delta_ec 0.7435767E-03 Delta_et -0.5530050E-02 Pxc 0.4398192E+01 Qxc -0.3734319E+01 3,+1 86 3 -1 -1.784716 2.746010 -0.558933 Rho 0.1508925E+00 |GRAD(Rho)| 0.2308791E-15 GRAD(Rho)x 0.1782428E-15 GRAD(Rho)y -0.3110305E-16 GRAD(Rho)z -0.1434128E-15 Laplacian 0.6221020E+00 (-1/4)Del**2(Rho)) -0.1555255E+00 Diamond 0.1269640E+01 Metallicity 0.4737303E+01 Ellipticity 0.1771448E-01 Gb(Abramov) 0.2264789E+00 Vb(Abramov) -0.2974323E+00 Hb(Abramov) -0.7095341E-01 Ex_ueg -0.5933015E-01 Ec_ueg -0.8500674E-02 Delta_ex -0.6690479E-01 Delta_ec 0.1575975E-01 Delta_et -0.2099633E+00 Pxc 0.6979464E+01 Qxc -0.4245294E+01 3,-1 87 3 -1 -1.997575 2.935431 0.864370 Rho 0.1226487E+00 |GRAD(Rho)| 0.1180966E-14 GRAD(Rho)x -0.7879575E-15 GRAD(Rho)y 0.5866211E-16 GRAD(Rho)z -0.8777023E-15 Laplacian 0.4860687E+00 (-1/4)Del**2(Rho)) -0.1215172E+00 Diamond 0.7737503E+00 Metallicity 0.4292271E+01 Ellipticity 0.2610375E-01 Gb(Abramov) 0.1679422E+00 Vb(Abramov) -0.2143673E+00 Hb(Abramov) -0.4642505E-01 Ex_ueg -0.4500586E-01 Ec_ueg -0.6716387E-02 Delta_ex -0.4971677E-01 Delta_ec 0.1295556E-01 Delta_et -0.1671626E+00 Pxc 0.6700903E+01 Qxc -0.3837486E+01 3,-1 88 3 -1 -1.818328 -0.531460 2.828339 Rho 0.1271167E+00 |GRAD(Rho)| 0.1728138E-13 GRAD(Rho)x -0.2555600E-14 GRAD(Rho)y 0.1329693E-13 GRAD(Rho)z -0.1073810E-13 Laplacian 0.5322520E+00 (-1/4)Del**2(Rho)) -0.1330630E+00 Diamond 0.8730985E+00 Metallicity 0.4160703E+01 Ellipticity 0.1879836E-01 Gb(Abramov) 0.1809813E+00 Vb(Abramov) -0.2288995E+00 Hb(Abramov) -0.4791826E-01 Ex_ueg -0.4720504E-01 Ec_ueg -0.6995175E-02 Delta_ex -0.5476791E-01 Delta_ec 0.1381429E-01 Delta_et -0.1788657E+00 Pxc 0.6748229E+01 Qxc -0.3964585E+01 3,-1 89 3 -1 -1.812854 0.489618 -2.831838 Rho 0.1279680E+00 |GRAD(Rho)| 0.5597006E-15 GRAD(Rho)x -0.3267514E-15 GRAD(Rho)y -0.4426797E-15 GRAD(Rho)z -0.1026299E-15 Laplacian 0.5301682E+00 (-1/4)Del**2(Rho)) -0.1325421E+00 Diamond 0.8971879E+00 Metallicity 0.4223787E+01 Ellipticity 0.1493725E-01 Gb(Abramov) 0.1816663E+00 Vb(Abramov) -0.2307905E+00 Hb(Abramov) -0.4912422E-01 Ex_ueg -0.4762706E-01 Ec_ueg -0.7048452E-02 Delta_ex -0.5489389E-01 Delta_ec 0.1418889E-01 Delta_et -0.1847486E+00 Pxc 0.6757095E+01 Qxc -0.3868793E+01 3,-1 90 3 +3 -1.116869 1.106363 -1.155542 Rho 0.5535293E-02 |GRAD(Rho)| 0.3610591E-17 GRAD(Rho)x 0.2635397E-20 GRAD(Rho)y 0.3588922E-17 GRAD(Rho)z -0.3949721E-18 Laplacian 0.2134863E-01 (-1/4)Del**2(Rho)) -0.5337158E-02 Diamond 0.1643059E-03 Metallicity 0.5590846E+00 Ellipticity -0.2560217E+00 Gb(Abramov) 0.4055425E-02 Vb(Abramov) -0.2773693E-02 Hb(Abramov) 0.1281732E-02 Ex_ueg -0.7231681E-03 Ec_ueg -0.1700209E-03 Delta_ex -0.7530268E-03 Delta_ec 0.8377629E-04 Delta_et -0.7040067E-03 Pxc 0.4253407E+01 Qxc -0.8988543E+01 3,+3 91 3 -1 -2.001294 0.875036 3.057077 Rho 0.1564999E+00 |GRAD(Rho)| 0.1475907E-13 GRAD(Rho)x 0.1187317E-13 GRAD(Rho)y 0.7139458E-14 GRAD(Rho)z -0.5087863E-14 Laplacian 0.6074446E+00 (-1/4)Del**2(Rho)) -0.1518611E+00 Diamond 0.1281418E+01 Metallicity 0.5155806E+01 Ellipticity 0.7190110E-01 Gb(Abramov) 0.2317352E+00 Vb(Abramov) -0.3116092E+00 Hb(Abramov) -0.7987404E-01 Ex_ueg -0.6228791E-01 Ec_ueg -0.8860890E-02 Delta_ex -0.6578859E-01 Delta_ec 0.1501592E-01 Delta_et -0.2004698E+00 Pxc 0.7029532E+01 Qxc -0.4381257E+01 3,-1 92 3 +1 -0.309059 -1.015781 -2.763912 Rho 0.3066652E-02 |GRAD(Rho)| 0.4216629E-17 GRAD(Rho)x 0.2999621E-17 GRAD(Rho)y 0.6130908E-18 GRAD(Rho)z 0.2899372E-17 Laplacian 0.1218029E-01 (-1/4)Del**2(Rho)) -0.3045072E-02 Diamond 0.1091656E-03 Metallicity 0.3662098E+00 Ellipticity -0.1307399E+01 Gb(Abramov) 0.2215904E-02 Vb(Abramov) -0.1386735E-02 Hb(Abramov) 0.8291680E-03 Ex_ueg -0.3290570E-03 Ec_ueg -0.6468597E-04 Delta_ex -0.4849599E-03 Delta_ec 0.2620121E-03 Delta_et -0.1278182E-02 Pxc 0.5086992E+01 Qxc -0.1850906E+01 3,+1 93 3 +1 -0.515544 1.626645 -0.579920 Rho 0.8960071E-02 |GRAD(Rho)| 0.2904070E-16 GRAD(Rho)x -0.6206349E-17 GRAD(Rho)y 0.2513332E-16 GRAD(Rho)z -0.1315902E-16 Laplacian 0.3426904E-01 (-1/4)Del**2(Rho)) -0.8567259E-02 Diamond 0.9518486E-03 Metallicity 0.7772553E+00 Ellipticity -0.1462440E+01 Gb(Abramov) 0.6821331E-02 Vb(Abramov) -0.5075402E-02 Hb(Abramov) 0.1745929E-02 Ex_ueg -0.1374465E-02 Ec_ueg -0.3211193E-03 Delta_ex -0.1574245E-02 Delta_ec 0.4685301E-03 Delta_et -0.3247267E-02 Pxc 0.4280231E+01 Qxc -0.3359967E+01 3,+1 94 3 +1 0.201143 2.978977 -0.167735 Rho 0.5731398E-02 |GRAD(Rho)| 0.2459195E-15 GRAD(Rho)x 0.1770660E-15 GRAD(Rho)y 0.3245081E-16 GRAD(Rho)z -0.1675439E-15 Laplacian 0.2371769E-01 (-1/4)Del**2(Rho)) -0.5929421E-02 Diamond 0.5980523E-03 Metallicity 0.5333044E+00 Ellipticity -0.2156185E+01 Gb(Abramov) 0.4479979E-02 Vb(Abramov) -0.3030536E-02 Hb(Abramov) 0.1449443E-02 Ex_ueg -0.7575289E-03 Ec_ueg -0.1785224E-03 Delta_ex -0.1159534E-02 Delta_ec 0.6549258E-03 Delta_et -0.3741955E-02 Pxc 0.4243327E+01 Qxc -0.1770481E+01 3,+1 95 3 +1 -1.761865 -1.727677 1.788266 Rho 0.1236424E-01 |GRAD(Rho)| 0.1414033E-16 GRAD(Rho)x 0.1129748E-16 GRAD(Rho)y -0.7528187E-17 GRAD(Rho)z 0.3955036E-17 Laplacian 0.6200266E-01 (-1/4)Del**2(Rho)) -0.1550066E-01 Diamond 0.2563927E-02 Metallicity 0.7347655E+00 Ellipticity -0.1256339E+01 Gb(Abramov) 0.1223200E-01 Vb(Abramov) -0.8963339E-02 Hb(Abramov) 0.3268663E-02 Ex_ueg -0.2111584E-02 Ec_ueg -0.4764098E-03 Delta_ex -0.3065048E-02 Delta_ec 0.7926205E-03 Delta_et -0.5996099E-02 Pxc 0.4432286E+01 Qxc -0.3866980E+01 3,+1 96 3 +1 -0.268186 -0.504109 -3.177306 Rho 0.3084857E-02 |GRAD(Rho)| 0.5791037E-17 GRAD(Rho)x 0.5389074E-17 GRAD(Rho)y -0.1638563E-17 GRAD(Rho)z -0.1345029E-17 Laplacian 0.1221522E-01 (-1/4)Del**2(Rho)) -0.3053805E-02 Diamond 0.1254908E-03 Metallicity 0.3687825E+00 Ellipticity -0.1463679E+01 Gb(Abramov) 0.2223569E-02 Vb(Abramov) -0.1393332E-02 Hb(Abramov) 0.8302368E-03 Ex_ueg -0.3316641E-03 Ec_ueg -0.6545093E-04 Delta_ex -0.5137004E-03 Delta_ec 0.3105466E-03 Delta_et -0.1488530E-02 Pxc 0.5067370E+01 Qxc -0.1654182E+01 3,+1 97 3 +3 -0.266403 -0.607631 -2.791905 Rho 0.2947106E-02 |GRAD(Rho)| 0.1919221E-15 GRAD(Rho)x -0.1072331E-15 GRAD(Rho)y 0.4211408E-16 GRAD(Rho)z 0.1534977E-15 Laplacian 0.1175230E-01 (-1/4)Del**2(Rho)) -0.2938074E-02 Diamond 0.8622178E-04 Metallicity 0.3552085E+00 Ellipticity -0.4184103E+00 Gb(Abramov) 0.2132654E-02 Vb(Abramov) -0.1327234E-02 Hb(Abramov) 0.8054198E-03 Ex_ueg -0.3120657E-03 Ec_ueg -0.5966718E-04 Delta_ex -0.4385462E-03 Delta_ec 0.2070788E-03 Delta_et -0.1026345E-02 Pxc 0.5230106E+01 Qxc -0.2117775E+01 3,+3 98 3 -1 -1.773098 -0.616843 -1.821737 Rho 0.5366969E-01 |GRAD(Rho)| 0.9426316E-16 GRAD(Rho)x 0.5478016E-16 GRAD(Rho)y -0.5148118E-16 GRAD(Rho)z 0.5687149E-16 Laplacian 0.2156958E+00 (-1/4)Del**2(Rho)) -0.5392396E-01 Diamond 0.1221005E+00 Metallicity 0.2439607E+01 Ellipticity 0.1577106E-01 Gb(Abramov) 0.5787485E-01 Vb(Abramov) -0.6182574E-01 Hb(Abramov) -0.3950890E-02 Ex_ueg -0.1495170E-01 Ec_ueg -0.2618703E-02 Delta_ex -0.1814169E-01 Delta_ec 0.6542955E-02 Delta_et -0.7031603E-01 Pxc 0.5709582E+01 Qxc -0.2772706E+01 3,-1 99 3 +1 -0.563504 -0.558930 1.662931 Rho 0.8157283E-02 |GRAD(Rho)| 0.1338791E-14 GRAD(Rho)x -0.3361779E-15 GRAD(Rho)y 0.1158710E-14 GRAD(Rho)z -0.5802891E-15 Laplacian 0.3185869E-01 (-1/4)Del**2(Rho)) -0.7964672E-02 Diamond 0.7930726E-03 Metallicity 0.7149809E+00 Ellipticity -0.1421193E+01 Gb(Abramov) 0.6258880E-02 Vb(Abramov) -0.4553087E-02 Hb(Abramov) 0.1705793E-02 Ex_ueg -0.1212772E-02 Ec_ueg -0.2852155E-03 Delta_ex -0.1435999E-02 Delta_ec 0.4480644E-03 Delta_et -0.3021290E-02 Pxc 0.4252125E+01 Qxc -0.3204894E+01 3,+1 100 3 -1 -2.760852 -0.519003 1.850788 Rho 0.1118544E+00 |GRAD(Rho)| 0.4083054E-12 GRAD(Rho)x -0.8117159E-13 GRAD(Rho)y -0.2646148E-12 GRAD(Rho)z -0.3001725E-12 Laplacian 0.4635847E+00 (-1/4)Del**2(Rho)) -0.1158962E+00 Diamond 0.6538280E+00 Metallicity 0.3859868E+01 Ellipticity 0.3948181E-02 Gb(Abramov) 0.1518215E+00 Vb(Abramov) -0.1877467E+00 Hb(Abramov) -0.3592528E-01 Ex_ueg -0.3980361E-01 Ec_ueg -0.6048582E-02 Delta_ex -0.4629104E-01 Delta_ec 0.1244613E-01 Delta_et -0.1577213E+00 Pxc 0.6580653E+01 Qxc -0.3719313E+01 3,-1 101 3 +1 -0.236982 0.198420 2.955673 Rho 0.5668190E-02 |GRAD(Rho)| 0.5601108E-12 GRAD(Rho)x -0.3858421E-12 GRAD(Rho)y 0.3749712E-12 GRAD(Rho)z 0.1557129E-12 Laplacian 0.2371039E-01 (-1/4)Del**2(Rho)) -0.5927597E-02 Diamond 0.5974045E-03 Metallicity 0.5236991E+00 Ellipticity -0.2201368E+01 Gb(Abramov) 0.4469111E-02 Vb(Abramov) -0.3010625E-02 Hb(Abramov) 0.1458486E-02 Ex_ueg -0.7464102E-03 Ec_ueg -0.1757801E-03 Delta_ex -0.1163137E-02 Delta_ec 0.6665051E-03 Delta_et -0.3790325E-02 Pxc 0.4246272E+01 Qxc -0.1745128E+01 3,+1 102 3 +1 0.323996 -1.923485 -0.734246 Rho 0.5995066E-02 |GRAD(Rho)| 0.4192385E-15 GRAD(Rho)x 0.8922527E-16 GRAD(Rho)y 0.2430031E-15 GRAD(Rho)z 0.3297716E-15 Laplacian 0.2336352E-01 (-1/4)Del**2(Rho)) -0.5840881E-02 Diamond 0.5714980E-03 Metallicity 0.5835322E+00 Ellipticity -0.2013396E+01 Gb(Abramov) 0.4461978E-02 Vb(Abramov) -0.3083074E-02 Hb(Abramov) 0.1378903E-02 Ex_ueg -0.8043475E-03 Ec_ueg -0.1899827E-03 Delta_ex -0.1113195E-02 Delta_ec 0.5743153E-03 Delta_et -0.3357061E-02 Pxc 0.4233793E+01 Qxc -0.1938300E+01 3,+1 103 3 -1 -0.026829 -0.009963 2.957102 Rho 0.5755451E-02 |GRAD(Rho)| 0.9637518E-12 GRAD(Rho)x 0.1034352E-12 GRAD(Rho)y 0.9503316E-12 GRAD(Rho)z 0.1224277E-12 Laplacian 0.2306000E-01 (-1/4)Del**2(Rho)) -0.5765001E-02 Diamond 0.7625525E-03 Metallicity 0.5523564E+00 Ellipticity 0.2150808E+01 Gb(Abramov) 0.4374056E-02 Vb(Abramov) -0.2983112E-02 Hb(Abramov) 0.1390944E-02 Ex_ueg -0.7617705E-03 Ec_ueg -0.1795664E-03 Delta_ex -0.1265204E-02 Delta_ec 0.8811025E-03 Delta_et -0.4929840E-02 Pxc 0.4242278E+01 Qxc -0.1435933E+01 3,-1 104 3 +1 0.536366 0.434254 1.653302 Rho 0.7836142E-02 |GRAD(Rho)| 0.5139023E-17 GRAD(Rho)x 0.4396312E-17 GRAD(Rho)y -0.1704499E-17 GRAD(Rho)z -0.2043692E-17 Laplacian 0.3069874E-01 (-1/4)Del**2(Rho)) -0.7674685E-02 Diamond 0.7410196E-03 Metallicity 0.6939525E+00 Ellipticity -0.1429301E+01 Gb(Abramov) 0.6004101E-02 Vb(Abramov) -0.4333517E-02 Hb(Abramov) 0.1670584E-02 Ex_ueg -0.1149533E-02 Ec_ueg -0.2709337E-03 Delta_ex -0.1378730E-02 Delta_ec 0.4476777E-03 Delta_et -0.2974231E-02 Pxc 0.4242858E+01 Qxc -0.3079738E+01 3,+1 105 3 +1 0.579635 -1.614359 -1.717543 Rho 0.3037637E-02 |GRAD(Rho)| 0.1902054E-17 GRAD(Rho)x 0.1429690E-17 GRAD(Rho)y 0.8343957E-18 GRAD(Rho)z 0.9367924E-18 Laplacian 0.1171797E-01 (-1/4)Del**2(Rho)) -0.2929493E-02 Diamond 0.7927302E-04 Metallicity 0.3746743E+00 Ellipticity -0.1130873E+01 Gb(Abramov) 0.2135930E-02 Vb(Abramov) -0.1342366E-02 Hb(Abramov) 0.7935635E-03 Ex_ueg -0.3249124E-03 Ec_ueg -0.6346715E-04 Delta_ex -0.4215881E-03 Delta_ec 0.1733961E-03 Delta_et -0.8913482E-03 Pxc 0.5119379E+01 Qxc -0.2431359E+01 3,+1 106 3 +1 0.005672 -3.073097 0.039098 Rho 0.5114306E-02 |GRAD(Rho)| 0.1253502E-12 GRAD(Rho)x -0.1224053E-12 GRAD(Rho)y 0.2162703E-13 GRAD(Rho)z 0.1618312E-13 Laplacian 0.2017728E-01 (-1/4)Del**2(Rho)) -0.5044321E-02 Diamond 0.4987329E-03 Metallicity 0.5184756E+00 Ellipticity -0.4205088E+01 Gb(Abramov) 0.3798773E-02 Vb(Abramov) -0.2553226E-02 Hb(Abramov) 0.1245547E-02 Ex_ueg -0.6507797E-03 Ec_ueg -0.1518352E-03 Delta_ex -0.1019911E-02 Delta_ec 0.6573721E-03 Delta_et -0.3585520E-02 Pxc 0.4286093E+01 Qxc -0.1551497E+01 3,+1 107 3 -1 -0.240138 -1.232550 -3.511443 Rho 0.4253290E-02 |GRAD(Rho)| 0.1160686E-17 GRAD(Rho)x 0.4492050E-18 GRAD(Rho)y 0.6255290E-18 GRAD(Rho)z 0.8684013E-18 Laplacian 0.1641006E-01 (-1/4)Del**2(Rho)) -0.4102515E-02 Diamond 0.4887697E-03 Metallicity 0.4688617E+00 Ellipticity 0.1752035E+00 Gb(Abramov) 0.3055595E-02 Vb(Abramov) -0.2008676E-02 Hb(Abramov) 0.1046920E-02 Ex_ueg -0.5089617E-03 Ec_ueg -0.1149217E-03 Delta_ex -0.9994601E-03 Delta_ec 0.8886957E-03 Delta_et -0.4444574E-02 Pxc 0.4428768E+01 Qxc -0.1124637E+01 3,-1 108 3 +3 -0.098391 -2.410915 -0.181074 Rho 0.4016432E-02 |GRAD(Rho)| 0.7401675E-14 GRAD(Rho)x -0.6087167E-14 GRAD(Rho)y 0.3838532E-14 GRAD(Rho)z 0.1731144E-14 Laplacian 0.1628075E-01 (-1/4)Del**2(Rho)) -0.4070188E-02 Diamond 0.1097178E-03 Metallicity 0.4295426E+00 Ellipticity -0.3237127E+00 Gb(Abramov) 0.3004845E-02 Vb(Abramov) -0.1939502E-02 Hb(Abramov) 0.1065343E-02 Ex_ueg -0.4715260E-03 Ec_ueg -0.1048346E-03 Delta_ex -0.5611795E-03 Delta_ec 0.1282037E-03 Delta_et -0.8101219E-03 Pxc 0.4497811E+01 Qxc -0.4377250E+01 3,+3 109 3 -1 -0.837605 2.973011 2.010784 Rho 0.1365883E+00 |GRAD(Rho)| 0.1494158E-15 GRAD(Rho)x 0.6570265E-16 GRAD(Rho)y 0.2259206E-16 GRAD(Rho)z 0.1322794E-15 Laplacian 0.5296790E+00 (-1/4)Del**2(Rho)) -0.1324197E+00 Diamond 0.9501542E+00 Metallicity 0.4712913E+01 Ellipticity 0.4963471E-01 Gb(Abramov) 0.1922936E+00 Vb(Abramov) -0.2521675E+00 Hb(Abramov) -0.5987387E-01 Ex_ueg -0.5195208E-01 Ec_ueg -0.7590579E-02 Delta_ex -0.5549405E-01 Delta_ec 0.1356960E-01 Delta_et -0.1778037E+00 Pxc 0.6844284E+01 Qxc -0.4089586E+01 3,-1 110 3 -1 -0.501377 1.734930 1.714047 Rho 0.4116585E-01 |GRAD(Rho)| 0.7603237E-16 GRAD(Rho)x -0.1038642E-16 GRAD(Rho)y -0.3661660E-16 GRAD(Rho)z -0.6581997E-16 Laplacian 0.1705928E+00 (-1/4)Del**2(Rho)) -0.4264821E-01 Diamond 0.6796029E-01 Metallicity 0.1982504E+01 Ellipticity 0.4482411E-01 Gb(Abramov) 0.4252385E-01 Vb(Abramov) -0.4239949E-01 Hb(Abramov) 0.1243612E-03 Ex_ueg -0.1049787E-01 Ec_ueg -0.1932714E-02 Delta_ex -0.1346332E-01 Delta_ec 0.5246398E-02 Delta_et -0.5256581E-01 Pxc 0.5431673E+01 Qxc -0.2566203E+01 3,-1 111 3 +1 2.213368 0.979553 -1.458135 Rho 0.2347567E-01 |GRAD(Rho)| 0.6167524E-15 GRAD(Rho)x 0.2294769E-15 GRAD(Rho)y -0.5315919E-15 GRAD(Rho)z -0.2124474E-15 Laplacian 0.8947953E-01 (-1/4)Del**2(Rho)) -0.2236988E-01 Diamond 0.9212976E-02 Metallicity 0.1482243E+01 Ellipticity -0.2199957E+01 Gb(Abramov) 0.2043952E-01 Vb(Abramov) -0.1850916E-01 Hb(Abramov) 0.1930360E-02 Ex_ueg -0.4964502E-02 Ec_ueg -0.1012277E-02 Delta_ex -0.5293158E-02 Delta_ec 0.1198019E-02 Delta_et -0.1050093E-01 Pxc 0.4904293E+01 Qxc -0.4418258E+01 3,+1 112 3 -1 0.431878 0.399659 -0.529011 Rho 0.1812377E+00 |GRAD(Rho)| 0.1983359E-15 GRAD(Rho)x 0.1595946E-15 GRAD(Rho)y 0.8326673E-16 GRAD(Rho)z -0.8326673E-16 Laplacian 0.4775282E+00 (-1/4)Del**2(Rho)) -0.1193820E+00 Diamond 0.1239854E+01 Metallicity 0.8375840E+01 Ellipticity 0.4099463E-02 Gb(Abramov) 0.2462422E+00 Vb(Abramov) -0.3731023E+00 Hb(Abramov) -0.1268601E+00 Ex_ueg -0.7575008E-01 Ec_ueg -0.1047234E-01 Delta_ex -0.5394999E-01 Delta_ec 0.1189326E-01 Delta_et -0.1630702E+00 Pxc 0.7233345E+01 Qxc -0.4536183E+01 3,-1 113 3 -1 -0.504200 0.427246 0.425041 Rho 0.1797216E+00 |GRAD(Rho)| 0.1962616E-16 GRAD(Rho)x 0.1387779E-16 GRAD(Rho)y 0.0000000E+00 GRAD(Rho)z -0.1387779E-16 Laplacian 0.4718372E+00 (-1/4)Del**2(Rho)) -0.1179593E+00 Diamond 0.1209613E+01 Metallicity 0.8359006E+01 Ellipticity 0.4928728E-02 Gb(Abramov) 0.2429766E+00 Vb(Abramov) -0.3679939E+00 Hb(Abramov) -0.1250173E+00 Ex_ueg -0.7490635E-01 Ec_ueg -0.1037256E-01 Delta_ex -0.5317025E-01 Delta_ec 0.1173292E-01 Delta_et -0.1605904E+00 Pxc 0.7221590E+01 Qxc -0.4531714E+01 3,-1 114 3 -1 -0.592712 -2.766852 1.833729 Rho 0.1529032E+00 |GRAD(Rho)| 0.2833447E-15 GRAD(Rho)x -0.1918225E-15 GRAD(Rho)y 0.4292085E-16 GRAD(Rho)z -0.2040740E-15 Laplacian 0.6410281E+00 (-1/4)Del**2(Rho)) -0.1602570E+00 Diamond 0.1321601E+01 Metallicity 0.4699990E+01 Ellipticity 0.2366680E-01 Gb(Abramov) 0.2323724E+00 Vb(Abramov) -0.3044878E+00 Hb(Abramov) -0.7211539E-01 Ex_ueg -0.6038657E-01 Ec_ueg -0.8629617E-02 Delta_ex -0.6909119E-01 Delta_ec 0.1605342E-01 Delta_et -0.2139500E+00 Pxc 0.6997596E+01 Qxc -0.4303831E+01 3,-1 115 3 -1 0.018754 -2.200328 -1.028012 Rho 0.6333743E-02 |GRAD(Rho)| 0.1441925E-16 GRAD(Rho)x -0.4918817E-17 GRAD(Rho)y -0.1349015E-16 GRAD(Rho)z -0.1317523E-17 Laplacian 0.2460192E-01 (-1/4)Del**2(Rho)) -0.6150481E-02 Diamond 0.8824811E-03 Metallicity 0.6073114E+00 Ellipticity 0.5686018E+01 Gb(Abramov) 0.4722864E-02 Vb(Abramov) -0.3295246E-02 Hb(Abramov) 0.1427617E-02 Ex_ueg -0.8654971E-03 Ec_ueg -0.2047531E-03 Delta_ex -0.1344926E-02 Delta_ec 0.8882581E-03 Delta_et -0.5133721E-02 Pxc 0.4227027E+01 Qxc -0.1514117E+01 3,-1 116 3 -1 -0.562783 1.774126 -2.776365 Rho 0.1382340E+00 |GRAD(Rho)| 0.2389108E-15 GRAD(Rho)x 0.9610097E-16 GRAD(Rho)y 0.2152954E-15 GRAD(Rho)z 0.3861115E-16 Laplacian 0.5901850E+00 (-1/4)Del**2(Rho)) -0.1475462E+00 Diamond 0.1060666E+01 Metallicity 0.4315022E+01 Ellipticity 0.2965482E-01 Gb(Abramov) 0.2044751E+00 Vb(Abramov) -0.2614039E+00 Hb(Abramov) -0.5692881E-01 Ex_ueg -0.5278836E-01 Ec_ueg -0.7694628E-02 Delta_ex -0.6186540E-01 Delta_ec 0.1481046E-01 Delta_et -0.1938638E+00 Pxc 0.6860417E+01 Qxc -0.4177142E+01 3,-1 117 3 +1 1.643694 -0.585007 -0.557448 Rho 0.8772545E-02 |GRAD(Rho)| 0.7153090E-17 GRAD(Rho)x -0.3254327E-18 GRAD(Rho)y 0.2750177E-17 GRAD(Rho)z -0.6595250E-17 Laplacian 0.3497965E-01 (-1/4)Del**2(Rho)) -0.8744913E-02 Diamond 0.9514145E-03 Metallicity 0.7350897E+00 Ellipticity -0.1417765E+01 Gb(Abramov) 0.6901325E-02 Vb(Abramov) -0.5057736E-02 Hb(Abramov) 0.1843589E-02 Ex_ueg -0.1336244E-02 Ec_ueg -0.3127068E-03 Delta_ex -0.1601516E-02 Delta_ec 0.4840892E-03 Delta_et -0.3332226E-02 Pxc 0.4273153E+01 Qxc -0.3308307E+01 3,+1 118 3 +3 0.077605 2.261393 -0.023891 Rho 0.4571577E-02 |GRAD(Rho)| 0.4092622E-16 GRAD(Rho)x 0.3040501E-17 GRAD(Rho)y 0.4076109E-16 GRAD(Rho)z 0.2060265E-17 Laplacian 0.1865316E-01 (-1/4)Del**2(Rho)) -0.4663290E-02 Diamond 0.1491188E-03 Metallicity 0.4651977E+00 Ellipticity -0.3663175E+00 Gb(Abramov) 0.3470418E-02 Vb(Abramov) -0.2277547E-02 Hb(Abramov) 0.1192871E-02 Ex_ueg -0.5603677E-03 Ec_ueg -0.1285229E-03 Delta_ex -0.6641301E-03 Delta_ec 0.1454775E-03 Delta_et -0.9493203E-03 Pxc 0.4360063E+01 Qxc -0.4565175E+01 3,+3 119 3 -1 -0.830242 2.001928 3.005530 Rho 0.1015650E+00 |GRAD(Rho)| 0.1683213E-13 GRAD(Rho)x 0.9000257E-14 GRAD(Rho)y 0.1344658E-13 GRAD(Rho)z 0.4637400E-14 Laplacian 0.3962571E+00 (-1/4)Del**2(Rho)) -0.9906426E-01 Diamond 0.4987619E+00 Metallicity 0.3844824E+01 Ellipticity 0.2629318E-01 Gb(Abramov) 0.1295236E+00 Vb(Abramov) -0.1599830E+00 Hb(Abramov) -0.3045936E-01 Ex_ueg -0.3499806E-01 Ec_ueg -0.5419953E-02 Delta_ex -0.3869954E-01 Delta_ec 0.1091033E-01 Delta_et -0.1358177E+00 Pxc 0.6457263E+01 Qxc -0.3547056E+01 3,-1 120 3 +1 1.245454 -2.229270 1.166718 Rho 0.2983880E-01 |GRAD(Rho)| 0.1249613E-15 GRAD(Rho)x 0.5106399E-16 GRAD(Rho)y -0.1128042E-15 GRAD(Rho)z -0.1682257E-16 Laplacian 0.1221669E+00 (-1/4)Del**2(Rho)) -0.3054172E-01 Diamond 0.2180944E-01 Metallicity 0.1619180E+01 Ellipticity -0.7818845E+01 Gb(Abramov) 0.2860324E-01 Vb(Abramov) -0.2666476E-01 Hb(Abramov) 0.1938482E-02 Ex_ueg -0.6835340E-02 Ec_ueg -0.1335295E-02 Delta_ex -0.8089847E-02 Delta_ec 0.2290755E-02 Delta_et -0.2108092E-01 Pxc 0.5118973E+01 Qxc -0.3531519E+01 3,+1 121 3 -1 -0.583004 -1.796293 2.803959 Rho 0.1434774E+00 |GRAD(Rho)| 0.2442813E-15 GRAD(Rho)x 0.2369659E-15 GRAD(Rho)y 0.4617346E-16 GRAD(Rho)z 0.3726267E-16 Laplacian 0.5981852E+00 (-1/4)Del**2(Rho)) -0.1495463E+00 Diamond 0.1149382E+01 Metallicity 0.4529843E+01 Ellipticity 0.9969778E-02 Gb(Abramov) 0.2126011E+00 Vb(Abramov) -0.2756559E+00 Hb(Abramov) -0.6305477E-01 Ex_ueg -0.5547486E-01 Ec_ueg -0.8027287E-02 Delta_ex -0.6354535E-01 Delta_ec 0.1534846E-01 Delta_et -0.2030324E+00 Pxc 0.6910786E+01 Qxc -0.4140176E+01 3,-1 122 3 +1 1.656200 0.475969 0.543440 Rho 0.7366126E-02 |GRAD(Rho)| 0.1304101E-16 GRAD(Rho)x 0.1084419E-16 GRAD(Rho)y 0.6811116E-17 GRAD(Rho)z 0.2465825E-17 Laplacian 0.2863063E-01 (-1/4)Del**2(Rho)) -0.7157659E-02 Diamond 0.6449305E-03 Metallicity 0.6711931E+00 Ellipticity -0.1429464E+01 Gb(Abramov) 0.5572468E-02 Vb(Abramov) -0.3987276E-02 Hb(Abramov) 0.1585191E-02 Ex_ueg -0.1058532E-02 Ec_ueg -0.2501161E-03 Delta_ex -0.1271533E-02 Delta_ec 0.4269982E-03 Delta_et -0.2783581E-02 Pxc 0.4232162E+01 Qxc -0.2977841E+01 3,+1 123 3 -1 -0.060115 3.148488 -3.195385 Rho 0.2302355E+00 |GRAD(Rho)| 0.7381860E-15 GRAD(Rho)x -0.1045713E-15 GRAD(Rho)y 0.5904023E-15 GRAD(Rho)z -0.4305909E-15 Laplacian 0.8401032E+00 (-1/4)Del**2(Rho)) -0.2100258E+00 Diamond 0.2830341E+01 Metallicity 0.7094160E+01 Ellipticity 0.4154487E-03 Gb(Abramov) 0.3883433E+00 Vb(Abramov) -0.5666608E+00 Hb(Abramov) -0.1783175E+00 Ex_ueg -0.1042193E+00 Ec_ueg -0.1376673E-01 Delta_ex -0.1004315E+00 Delta_ec 0.1882650E-01 Delta_et -0.2605201E+00 Pxc 0.7570372E+01 Qxc -0.5334578E+01 3,-1 124 3 -1 -0.011602 2.958617 0.047393 Rho 0.5834247E-02 |GRAD(Rho)| 0.3656969E-17 GRAD(Rho)x -0.3542210E-17 GRAD(Rho)y -0.9088292E-18 GRAD(Rho)z 0.1420338E-19 Laplacian 0.2330836E-01 (-1/4)Del**2(Rho)) -0.5827090E-02 Diamond 0.7874133E-03 Metallicity 0.5589970E+00 Ellipticity 0.1864517E+01 Gb(Abramov) 0.4427614E-02 Vb(Abramov) -0.3028138E-02 Hb(Abramov) 0.1399476E-02 Ex_ueg -0.7757077E-03 Ec_ueg -0.1829886E-03 Delta_ex -0.1283870E-02 Delta_ec 0.8938778E-03 Delta_et -0.5021032E-02 Pxc 0.4239103E+01 Qxc -0.1436292E+01 3,-1 125 3 +1 -1.073798 2.139884 1.381828 Rho 0.2802712E-01 |GRAD(Rho)| 0.4104439E-16 GRAD(Rho)x -0.1724711E-16 GRAD(Rho)y 0.3687804E-16 GRAD(Rho)z 0.5214338E-17 Laplacian 0.1131467E+00 (-1/4)Del**2(Rho)) -0.2828667E-01 Diamond 0.1759264E-01 Metallicity 0.1574958E+01 Ellipticity -0.4232828E+01 Gb(Abramov) 0.2628283E-01 Vb(Abramov) -0.2427899E-01 Hb(Abramov) 0.2003839E-02 Ex_ueg -0.6287670E-02 Ec_ueg -0.1242300E-02 Delta_ex -0.7281379E-02 Delta_ec 0.1965209E-02 Delta_et -0.1782773E-01 Pxc 0.5061313E+01 Qxc -0.3705142E+01 3,+1 126 3 +1 1.576236 -1.991000 -1.991019 Rho 0.6624402E-02 |GRAD(Rho)| 0.3708473E-14 GRAD(Rho)x 0.2529442E-14 GRAD(Rho)y 0.2708972E-14 GRAD(Rho)z 0.1271555E-15 Laplacian 0.2946698E-01 (-1/4)Del**2(Rho)) -0.7366745E-02 Diamond 0.9242989E-03 Metallicity 0.5464142E+00 Ellipticity -0.2099046E+01 Gb(Abramov) 0.5582046E-02 Vb(Abramov) -0.3797347E-02 Hb(Abramov) 0.1784699E-02 Ex_ueg -0.9188557E-03 Ec_ueg -0.2174736E-03 Delta_ex -0.1498111E-02 Delta_ec 0.8378024E-03 Delta_et -0.4984767E-02 Pxc 0.4225138E+01 Qxc -0.1788144E+01 3,+1 127 3 +3 0.013894 -0.057270 2.261172 Rho 0.4543677E-02 |GRAD(Rho)| 0.4103453E-15 GRAD(Rho)x -0.2478066E-15 GRAD(Rho)y 0.2512790E-15 GRAD(Rho)z -0.2093656E-15 Laplacian 0.1853691E-01 (-1/4)Del**2(Rho)) -0.4634228E-02 Diamond 0.1467014E-03 Metallicity 0.4633632E+00 Ellipticity -0.3236521E+00 Gb(Abramov) 0.3447374E-02 Vb(Abramov) -0.2260520E-02 Hb(Abramov) 0.1186854E-02 Ex_ueg -0.5558126E-03 Ec_ueg -0.1273285E-03 Delta_ex -0.6586629E-03 Delta_ec 0.1440814E-03 Delta_et -0.9397098E-03 Pxc 0.4365185E+01 Qxc -0.4571463E+01 3,+3 128 3 +1 0.145529 -0.176665 2.967727 Rho 0.5704499E-02 |GRAD(Rho)| 0.1329532E-16 GRAD(Rho)x 0.1262521E-16 GRAD(Rho)y 0.4050390E-17 GRAD(Rho)z 0.9818455E-18 Laplacian 0.2356726E-01 (-1/4)Del**2(Rho)) -0.5891816E-02 Diamond 0.6216006E-03 Metallicity 0.5325167E+00 Ellipticity -0.2568125E+01 Gb(Abramov) 0.4450792E-02 Vb(Abramov) -0.3009769E-02 Hb(Abramov) 0.1441024E-02 Ex_ueg -0.7527922E-03 Ec_ueg -0.1773551E-03 Delta_ex -0.1175286E-02 Delta_ec 0.6940140E-03 Delta_et -0.3940185E-02 Pxc 0.4244547E+01 Qxc -0.1693461E+01 3,+1 129 3 -1 0.007136 -3.387677 -1.225895 Rho 0.3050444E-01 |GRAD(Rho)| 0.2840280E-16 GRAD(Rho)x 0.2755570E-16 GRAD(Rho)y 0.5235792E-17 GRAD(Rho)z 0.4470939E-17 Laplacian 0.9737003E-01 (-1/4)Del**2(Rho)) -0.2434251E-01 Diamond 0.3960323E-01 Metallicity 0.2107623E+01 Ellipticity 0.6948956E-02 Gb(Abramov) 0.2477914E-01 Vb(Abramov) -0.2521578E-01 Hb(Abramov) -0.4366360E-03 Ex_ueg -0.7039403E-02 Ec_ueg -0.1369656E-02 Delta_ex -0.8292041E-02 Delta_ec 0.5050697E-02 Delta_et -0.4651320E-01 Pxc 0.5139540E+01 Qxc -0.1641762E+01 3,-1 130 3 -1 -0.087919 -3.185798 3.224266 Rho 0.2407294E+00 |GRAD(Rho)| 0.1130385E-15 GRAD(Rho)x 0.2881267E-16 GRAD(Rho)y -0.1387779E-16 GRAD(Rho)z -0.1084202E-15 Laplacian 0.8882507E+00 (-1/4)Del**2(Rho)) -0.2220627E+00 Diamond 0.3142229E+01 Metallicity 0.7227025E+01 Ellipticity 0.2004977E-02 Gb(Abramov) 0.4155172E+00 Vb(Abramov) -0.6089717E+00 Hb(Abramov) -0.1934545E+00 Ex_ueg -0.1106005E+00 Ec_ueg -0.1448955E-01 Delta_ex -0.1073468E+00 Delta_ec 0.1950274E-01 Delta_et -0.2697233E+00 Pxc 0.7633125E+01 Qxc -0.5504191E+01 3,-1 131 3 -1 0.490448 -1.764746 1.697660 Rho 0.4972718E-01 |GRAD(Rho)| 0.7233413E-16 GRAD(Rho)x -0.5813949E-16 GRAD(Rho)y 0.7251449E-17 GRAD(Rho)z 0.4241983E-16 Laplacian 0.1997867E+00 (-1/4)Del**2(Rho)) -0.4994667E-01 Diamond 0.9972077E-01 Metallicity 0.2319368E+01 Ellipticity 0.1346285E-01 Gb(Abramov) 0.5260524E-01 Vb(Abramov) -0.5526380E-01 Hb(Abramov) -0.2658563E-02 Ex_ueg -0.1350549E-01 Ec_ueg -0.2399799E-02 Delta_ex -0.1638731E-01 Delta_ec 0.5890613E-02 Delta_et -0.6200914E-01 Pxc 0.5627757E+01 Qxc -0.2781936E+01 3,-1 132 3 -1 0.847841 -2.992878 2.036942 Rho 0.1425061E+00 |GRAD(Rho)| 0.1889155E-15 GRAD(Rho)x 0.1515715E-15 GRAD(Rho)y -0.1076613E-15 GRAD(Rho)z 0.3352895E-16 Laplacian 0.5637709E+00 (-1/4)Del**2(Rho)) -0.1409427E+00 Diamond 0.1072946E+01 Metallicity 0.4752256E+01 Ellipticity 0.5420487E-01 Gb(Abramov) 0.2055944E+00 Vb(Abramov) -0.2702462E+00 Hb(Abramov) -0.6465173E-01 Ex_ueg -0.5497473E-01 Ec_ueg -0.7965538E-02 Delta_ex -0.5977415E-01 Delta_ec 0.1446083E-01 Delta_et -0.1910380E+00 Pxc 0.6901572E+01 Qxc -0.4133521E+01 3,-1 133 3 -1 0.557940 1.809881 2.761237 Rho 0.1475326E+00 |GRAD(Rho)| 0.2580947E-11 GRAD(Rho)x 0.1546327E-11 GRAD(Rho)y -0.1976196E-11 GRAD(Rho)z 0.6039957E-12 Laplacian 0.6083275E+00 (-1/4)Del**2(Rho)) -0.1520819E+00 Diamond 0.1187374E+01 Metallicity 0.4666120E+01 Ellipticity 0.2174633E-01 Gb(Abramov) 0.2196600E+00 Vb(Abramov) -0.2872380E+00 Hb(Abramov) -0.6757809E-01 Ex_ueg -0.5757525E-01 Ec_ueg -0.8285755E-02 Delta_ex -0.6484838E-01 Delta_ec 0.1511483E-01 Delta_et -0.1998766E+00 Pxc 0.6948704E+01 Qxc -0.4290380E+01 3,-1 134 3 -1 0.884016 1.990127 -2.990541 Rho 0.1497811E+00 |GRAD(Rho)| 0.1478769E-15 GRAD(Rho)x 0.1382358E-16 GRAD(Rho)y -0.1468823E-15 GRAD(Rho)z -0.1010341E-16 Laplacian 0.5855631E+00 (-1/4)Del**2(Rho)) -0.1463908E+00 Diamond 0.1167223E+01 Metallicity 0.4971276E+01 Ellipticity 0.8437970E-01 Gb(Abramov) 0.2188854E+00 Vb(Abramov) -0.2913799E+00 Hb(Abramov) -0.7249457E-01 Ex_ueg -0.5874819E-01 Ec_ueg -0.8429504E-02 Delta_ex -0.6268832E-01 Delta_ec 0.1455346E-01 Delta_et -0.1929847E+00 Pxc 0.6969353E+01 Qxc -0.4307450E+01 3,-1 135 3 -1 0.535927 1.663185 -1.760224 Rho 0.4646684E-01 |GRAD(Rho)| 0.2129001E-15 GRAD(Rho)x -0.6850760E-16 GRAD(Rho)y 0.1648644E-15 GRAD(Rho)z -0.1159866E-15 Laplacian 0.1921721E+00 (-1/4)Del**2(Rho)) -0.4804303E-01 Diamond 0.8986751E-01 Metallicity 0.2153582E+01 Ellipticity 0.1719519E-01 Gb(Abramov) 0.4927278E-01 Vb(Abramov) -0.5050254E-01 Hb(Abramov) -0.1229756E-02 Ex_ueg -0.1233794E-01 Ec_ueg -0.2220525E-02 Delta_ex -0.1560994E-01 Delta_ec 0.5872279E-02 Delta_et -0.6077388E-01 Pxc 0.5556316E+01 Qxc -0.2658242E+01 3,-1 136 3 -1 0.839955 2.965241 -1.976330 Rho 0.1202636E+00 |GRAD(Rho)| 0.5288087E-15 GRAD(Rho)x -0.1631453E-15 GRAD(Rho)y -0.5010911E-15 GRAD(Rho)z -0.4393052E-16 Laplacian 0.4653945E+00 (-1/4)Del**2(Rho)) -0.1163486E+00 Diamond 0.7173865E+00 Metallicity 0.4338596E+01 Ellipticity 0.4127710E-01 Gb(Abramov) 0.1616973E+00 Vb(Abramov) -0.2070461E+00 Hb(Abramov) -0.4534873E-01 Ex_ueg -0.4384272E-01 Ec_ueg -0.6568125E-02 Delta_ex -0.4729692E-01 Delta_ec 0.1231446E-01 Delta_et -0.1581100E+00 Pxc 0.6675074E+01 Qxc -0.3840764E+01 3,-1 137 3 -1 0.583347 2.808373 1.802584 Rho 0.1549530E+00 |GRAD(Rho)| 0.1423850E-13 GRAD(Rho)x 0.2480573E-14 GRAD(Rho)y -0.5936861E-14 GRAD(Rho)z -0.1270178E-13 Laplacian 0.6429392E+00 (-1/4)Del**2(Rho)) -0.1607348E+00 Diamond 0.1335413E+01 Metallicity 0.4791186E+01 Ellipticity 0.2645855E-01 Gb(Abramov) 0.2355083E+00 Vb(Abramov) -0.3102817E+00 Hb(Abramov) -0.7477346E-01 Ex_ueg -0.6146835E-01 Ec_ueg -0.8761325E-02 Delta_ex -0.6941586E-01 Delta_ec 0.1585165E-01 Delta_et -0.2111566E+00 Pxc 0.7015874E+01 Qxc -0.4379094E+01 3,-1 138 3 -1 0.817334 -1.965166 3.008913 Rho 0.1389882E+00 |GRAD(Rho)| 0.5023577E-16 GRAD(Rho)x 0.2783689E-16 GRAD(Rho)y 0.4082021E-16 GRAD(Rho)z -0.9080193E-17 Laplacian 0.5464731E+00 (-1/4)Del**2(Rho)) -0.1366183E+00 Diamond 0.1012377E+01 Metallicity 0.4702630E+01 Ellipticity 0.4014813E-01 Gb(Abramov) 0.1981564E+00 Vb(Abramov) -0.2596945E+00 Hb(Abramov) -0.6153812E-01 Ex_ueg -0.5317273E-01 Ec_ueg -0.7742370E-02 Delta_ex -0.5762247E-01 Delta_ec 0.1416428E-01 Delta_et -0.1865496E+00 Pxc 0.6867758E+01 Qxc -0.4068154E+01 3,-1 139 3 +3 0.775458 -1.448136 -1.534146 Rho 0.2993655E-02 |GRAD(Rho)| 0.2447815E-14 GRAD(Rho)x 0.2402457E-14 GRAD(Rho)y 0.2737495E-15 GRAD(Rho)z 0.3808721E-15 Laplacian 0.1171423E-01 (-1/4)Del**2(Rho)) -0.2928558E-02 Diamond 0.6142563E-04 Metallicity 0.3657932E+00 Ellipticity -0.8358713E+00 Gb(Abramov) 0.2130913E-02 Vb(Abramov) -0.1333268E-02 Hb(Abramov) 0.7976449E-03 Ex_ueg -0.3186550E-03 Ec_ueg -0.6162047E-04 Delta_ex -0.3901175E-03 Delta_ec 0.1198512E-03 Delta_et -0.6608767E-03 Pxc 0.5171252E+01 Qxc -0.3255016E+01 3,+3 140 3 -1 0.404615 -0.546488 0.398237 Rho 0.1790110E+00 |GRAD(Rho)| 0.1533244E-15 GRAD(Rho)x 0.5898060E-16 GRAD(Rho)y 0.2775558E-16 GRAD(Rho)z -0.1387779E-15 Laplacian 0.4707680E+00 (-1/4)Del**2(Rho)) -0.1176920E+00 Diamond 0.1206787E+01 Metallicity 0.8322856E+01 Ellipticity 0.6129413E-02 Gb(Abramov) 0.2417169E+00 Vb(Abramov) -0.3657419E+00 Hb(Abramov) -0.1240249E+00 Ex_ueg -0.7451173E-01 Ec_ueg -0.1032584E-01 Delta_ex -0.5304158E-01 Delta_ec 0.1179766E-01 Delta_et -0.1616327E+00 Pxc 0.7216049E+01 Qxc -0.4495940E+01 3,-1 141 3 -1 1.363505 -2.128629 -2.140716 Rho 0.6794266E-02 |GRAD(Rho)| 0.7819263E-17 GRAD(Rho)x 0.5337198E-17 GRAD(Rho)y 0.3333788E-17 GRAD(Rho)z 0.4641233E-17 Laplacian 0.2787593E-01 (-1/4)Del**2(Rho)) -0.6968981E-02 Diamond 0.1282845E-02 Metallicity 0.6024969E+00 Ellipticity 0.7336570E+00 Gb(Abramov) 0.5345786E-02 Vb(Abramov) -0.3722590E-02 Hb(Abramov) 0.1623196E-02 Ex_ueg -0.9504045E-03 Ec_ueg -0.2249262E-03 Delta_ex -0.1657976E-02 Delta_ec 0.1209034E-02 Delta_et -0.7069656E-02 Pxc 0.4225406E+01 Qxc -0.1371323E+01 3,-1 142 3 -1 2.919110 -2.033363 0.823856 Rho 0.8170071E-01 |GRAD(Rho)| 0.5484774E-16 GRAD(Rho)x -0.5056109E-16 GRAD(Rho)y -0.1463673E-17 GRAD(Rho)z 0.2120632E-16 Laplacian 0.3234245E+00 (-1/4)Del**2(Rho)) -0.8085614E-01 Diamond 0.3125068E+00 Metallicity 0.3277555E+01 Ellipticity 0.1335075E-02 Gb(Abramov) 0.9807249E-01 Vb(Abramov) -0.1152888E+00 Hb(Abramov) -0.1721635E-01 Ex_ueg -0.2618301E-01 Ec_ueg -0.4230603E-02 Delta_ex -0.3003156E-01 Delta_ec 0.9314882E-02 Delta_et -0.1108071E+00 Pxc 0.6188954E+01 Qxc -0.3224040E+01 3,-1 143 3 +1 1.371985 -1.069865 2.126804 Rho 0.2486023E-01 |GRAD(Rho)| 0.1078388E-15 GRAD(Rho)x -0.4255393E-16 GRAD(Rho)y 0.2118559E-16 GRAD(Rho)z -0.9679640E-16 Laplacian 0.9651582E-01 (-1/4)Del**2(Rho)) -0.2412896E-01 Diamond 0.1174254E-01 Metallicity 0.1511901E+01 Ellipticity -0.2811089E+01 Gb(Abramov) 0.2216607E-01 Vb(Abramov) -0.2020318E-01 Hb(Abramov) 0.1962887E-02 Ex_ueg -0.5358691E-02 Ec_ueg -0.1081680E-02 Delta_ex -0.5908038E-02 Delta_ec 0.1484713E-02 Delta_et -0.1312398E-01 Pxc 0.4954045E+01 Qxc -0.3979246E+01 3,+1 144 3 +1 1.205099 2.138591 -1.246247 Rho 0.2585213E-01 |GRAD(Rho)| 0.1222269E-14 GRAD(Rho)x 0.1188685E-14 GRAD(Rho)y -0.2843982E-15 GRAD(Rho)z 0.9350303E-17 Laplacian 0.1029070E+00 (-1/4)Del**2(Rho)) -0.2572676E-01 Diamond 0.1521830E-01 Metallicity 0.1513545E+01 Ellipticity -0.6446230E+01 Gb(Abramov) 0.2364094E-01 Vb(Abramov) -0.2155512E-01 Hb(Abramov) 0.2085817E-02 Ex_ueg -0.5645645E-02 Ec_ueg -0.1131713E-02 Delta_ex -0.6574567E-02 Delta_ec 0.1954593E-02 Delta_et -0.1735191E-01 Pxc 0.4988585E+01 Qxc -0.3363649E+01 3,+1 145 3 +1 1.721288 1.779696 1.772260 Rho 0.1218620E-01 |GRAD(Rho)| 0.3229095E-14 GRAD(Rho)x 0.1533843E-14 GRAD(Rho)y -0.2610611E-14 GRAD(Rho)z 0.1122090E-14 Laplacian 0.6056151E-01 (-1/4)Del**2(Rho)) -0.1514038E-01 Diamond 0.2460638E-02 Metallicity 0.7342830E+00 Ellipticity -0.1263696E+01 Gb(Abramov) 0.1194647E-01 Vb(Abramov) -0.8752567E-02 Hb(Abramov) 0.3193906E-02 Ex_ueg -0.2071140E-02 Ec_ueg -0.4681714E-03 Delta_ex -0.2983930E-02 Delta_ec 0.7770574E-03 Delta_et -0.5855486E-02 Pxc 0.4423892E+01 Qxc -0.3840038E+01 3,+1 146 3 +1 2.147556 -1.376735 1.099472 Rho 0.2555938E-01 |GRAD(Rho)| 0.4916416E-16 GRAD(Rho)x 0.4348368E-16 GRAD(Rho)y -0.2247195E-16 GRAD(Rho)z -0.4614784E-17 Laplacian 0.1017389E+00 (-1/4)Del**2(Rho)) -0.2543472E-01 Diamond 0.1470499E-01 Metallicity 0.1502138E+01 Ellipticity -0.5493914E+01 Gb(Abramov) 0.2332423E-01 Vb(Abramov) -0.2121373E-01 Hb(Abramov) 0.2110495E-02 Ex_ueg -0.5560562E-02 Ec_ueg -0.1116919E-02 Delta_ex -0.6469226E-02 Delta_ec 0.1912261E-02 Delta_et -0.1693117E-01 Pxc 0.4978483E+01 Qxc -0.3383025E+01 3,+1 147 3 -1 1.723311 -0.596964 1.693508 Rho 0.3514264E-01 |GRAD(Rho)| 0.7932807E-16 GRAD(Rho)x -0.5715704E-16 GRAD(Rho)y -0.3754299E-16 GRAD(Rho)z -0.4020622E-16 Laplacian 0.1444761E+00 (-1/4)Del**2(Rho)) -0.3611903E-01 Diamond 0.4564313E-01 Metallicity 0.1798351E+01 Ellipticity 0.4411837E-01 Gb(Abramov) 0.3490513E-01 Vb(Abramov) -0.3369124E-01 Hb(Abramov) 0.1213897E-02 Ex_ueg -0.8501539E-02 Ec_ueg -0.1611795E-02 Delta_ex -0.1091488E-01 Delta_ec 0.4351607E-02 Delta_et -0.4175366E-01 Pxc 0.5274577E+01 Qxc -0.2508241E+01 3,-1 148 3 -1 3.005795 0.800499 -1.994341 Rho 0.7273094E-01 |GRAD(Rho)| 0.1660219E-15 GRAD(Rho)x -0.3589217E-16 GRAD(Rho)y -0.1291420E-15 GRAD(Rho)z -0.9796614E-16 Laplacian 0.2942529E+00 (-1/4)Del**2(Rho)) -0.7356323E-01 Diamond 0.2463874E+00 Metallicity 0.2967730E+01 Ellipticity 0.3091959E-02 Gb(Abramov) 0.8542811E-01 Vb(Abramov) -0.9729300E-01 Hb(Abramov) -0.1186489E-01 Ex_ueg -0.2242215E-01 Ec_ueg -0.3705361E-02 Delta_ex -0.2660202E-01 Delta_ec 0.8654168E-02 Delta_et -0.1002608E+00 Pxc 0.6051273E+01 Qxc -0.3073897E+01 3,-1 149 3 -1 1.797225 0.530458 2.762972 Rho 0.1096547E+00 |GRAD(Rho)| 0.3281386E-13 GRAD(Rho)x 0.2555029E-13 GRAD(Rho)y -0.2037149E-13 GRAD(Rho)z -0.2989040E-14 Laplacian 0.4514872E+00 (-1/4)Del**2(Rho)) -0.1128718E+00 Diamond 0.6205675E+00 Metallicity 0.3834243E+01 Ellipticity 0.1183384E-01 Gb(Abramov) 0.1473775E+00 Vb(Abramov) -0.1818832E+00 Hb(Abramov) -0.3450571E-01 Ex_ueg -0.3876334E-01 Ec_ueg -0.5913520E-02 Delta_ex -0.4485416E-01 Delta_ec 0.1214551E-01 Delta_et -0.1533083E+00 Pxc 0.6555038E+01 Qxc -0.3693065E+01 3,-1 150 3 -1 1.727947 0.415973 -1.781964 Rho 0.4145000E-01 |GRAD(Rho)| 0.5374936E-16 GRAD(Rho)x -0.2837454E-16 GRAD(Rho)y 0.2967019E-16 GRAD(Rho)z 0.3469235E-16 Laplacian 0.1668277E+00 (-1/4)Del**2(Rho)) -0.4170692E-01 Diamond 0.6773148E-01 Metallicity 0.2050624E+01 Ellipticity 0.2227813E-01 Gb(Abramov) 0.4205882E-01 Vb(Abramov) -0.4241071E-01 Hb(Abramov) -0.3518926E-03 Ex_ueg -0.1059460E-01 Ec_ueg -0.1948020E-02 Delta_ex -0.1322434E-01 Delta_ec 0.5194299E-02 Delta_et -0.5214935E-01 Pxc 0.5438650E+01 Qxc -0.2545933E+01 3,-1 151 3 +1 2.926519 -0.068163 0.111188 Rho 0.4802095E-02 |GRAD(Rho)| 0.9269060E-17 GRAD(Rho)x -0.1415405E-17 GRAD(Rho)y 0.5206393E-17 GRAD(Rho)z 0.7536948E-17 Laplacian 0.1936221E-01 (-1/4)Del**2(Rho)) -0.4840553E-02 Diamond 0.4703049E-03 Metallicity 0.4864551E+00 Ellipticity -0.1222252E+02 Gb(Abramov) 0.3619488E-02 Vb(Abramov) -0.2398422E-02 Hb(Abramov) 0.1221066E-02 Ex_ueg -0.5983557E-03 Ec_ueg -0.1384061E-03 Delta_ex -0.9969993E-03 Delta_ec 0.6842920E-03 Delta_et -0.3641177E-02 Pxc 0.4323188E+01 Qxc -0.1456979E+01 3,+1 152 3 -1 2.020446 0.801578 -3.003725 Rho 0.1041516E+00 |GRAD(Rho)| 0.1930026E-15 GRAD(Rho)x 0.1754713E-16 GRAD(Rho)y 0.1909280E-15 GRAD(Rho)z -0.2210417E-16 Laplacian 0.3914735E+00 (-1/4)Del**2(Rho)) -0.9786838E-01 Diamond 0.5142968E+00 Metallicity 0.4058393E+01 Ellipticity 0.2621101E-01 Gb(Abramov) 0.1314436E+00 Vb(Abramov) -0.1650189E+00 Hb(Abramov) -0.3357527E-01 Ex_ueg -0.3619148E-01 Ec_ueg -0.5577221E-02 Delta_ex -0.3856173E-01 Delta_ec 0.1090298E-01 Delta_et -0.1366324E+00 Pxc 0.6489161E+01 Qxc -0.3536807E+01 3,-1 153 3 +1 1.452968 0.972833 -2.200411 Rho 0.2682831E-01 |GRAD(Rho)| 0.5391027E-16 GRAD(Rho)x 0.2282995E-16 GRAD(Rho)y 0.2389767E-16 GRAD(Rho)z -0.4259121E-16 Laplacian 0.1055827E+00 (-1/4)Del**2(Rho)) -0.2639567E-01 Diamond 0.1392668E-01 Metallicity 0.1569192E+01 Ellipticity -0.2659093E+01 Gb(Abramov) 0.2450043E-01 Vb(Abramov) -0.2260518E-01 Hb(Abramov) 0.1895245E-02 Ex_ueg -0.5931659E-02 Ec_ueg -0.1181200E-02 Delta_ex -0.6564223E-02 Delta_ec 0.1563653E-02 Delta_et -0.1408268E-01 Pxc 0.5021722E+01 Qxc -0.4198006E+01 3,+1 154 3 +3 1.966185 1.911819 -1.929153 Rho 0.1169487E-01 |GRAD(Rho)| 0.6257229E-15 GRAD(Rho)x -0.3741682E-15 GRAD(Rho)y -0.3602164E-15 GRAD(Rho)z 0.3489576E-15 Laplacian 0.5360500E-01 (-1/4)Del**2(Rho)) -0.1340125E-01 Diamond 0.1363305E-02 Metallicity 0.7745814E+00 Ellipticity -0.8424189E+00 Gb(Abramov) 0.1066423E-01 Vb(Abramov) -0.7927203E-02 Hb(Abramov) 0.2737024E-02 Ex_ueg -0.1960555E-02 Ec_ueg -0.4455017E-03 Delta_ex -0.2404720E-02 Delta_ec 0.3166081E-03 Delta_et -0.2654437E-02 Pxc 0.4400781E+01 Qxc -0.7595258E+01 3,+3 155 3 -1 1.747153 1.691385 -0.577311 Rho 0.4004712E-01 |GRAD(Rho)| 0.8161549E-16 GRAD(Rho)x 0.4739488E-16 GRAD(Rho)y 0.6237191E-16 GRAD(Rho)z 0.2290324E-16 Laplacian 0.1581144E+00 (-1/4)Del**2(Rho)) -0.3952861E-01 Diamond 0.5803725E-01 Metallicity 0.2042963E+01 Ellipticity 0.2455965E-01 Gb(Abramov) 0.3981165E-01 Vb(Abramov) -0.4009469E-01 Hb(Abramov) -0.2830429E-03 Ex_ueg -0.1011921E-01 Ec_ueg -0.1872594E-02 Delta_ex -0.1224132E-01 Delta_ec 0.4590691E-02 Delta_et -0.4562325E-01 Pxc 0.5403849E+01 Qxc -0.2666552E+01 3,-1 156 3 +3 2.331395 -0.020720 0.050601 Rho 0.4157434E-02 |GRAD(Rho)| 0.3503977E-17 GRAD(Rho)x 0.5518103E-18 GRAD(Rho)y 0.3381567E-17 GRAD(Rho)z 0.7337323E-18 Laplacian 0.1711746E-01 (-1/4)Del**2(Rho)) -0.4279365E-02 Diamond 0.1404635E-03 Metallicity 0.4327290E+00 Ellipticity -0.2644593E+00 Gb(Abramov) 0.3161544E-02 Vb(Abramov) -0.2043724E-02 Hb(Abramov) 0.1117821E-02 Ex_ueg -0.4937254E-03 Ec_ueg -0.1108359E-03 Delta_ex -0.6185532E-03 Delta_ec 0.1763011E-03 Delta_et -0.1054770E-02 Pxc 0.4454562E+01 Qxc -0.3508504E+01 3,+3 157 3 -1 1.940789 -3.047231 0.859525 Rho 0.1322525E+00 |GRAD(Rho)| 0.4681243E-15 GRAD(Rho)x -0.8039359E-16 GRAD(Rho)y -0.9547755E-17 GRAD(Rho)z -0.4610705E-15 Laplacian 0.5085420E+00 (-1/4)Del**2(Rho)) -0.1271355E+00 Diamond 0.8971619E+00 Metallicity 0.4651853E+01 Ellipticity 0.2714403E-01 Gb(Abramov) 0.1833263E+00 Vb(Abramov) -0.2395171E+00 Hb(Abramov) -0.5619078E-01 Ex_ueg -0.4976494E-01 Ec_ueg -0.7317290E-02 Delta_ex -0.5309469E-01 Delta_ec 0.1354274E-01 Delta_et -0.1773705E+00 Pxc 0.6801006E+01 Qxc -0.3920528E+01 3,-1 158 3 -1 1.762381 -2.988619 -0.587459 Rho 0.2238893E+00 |GRAD(Rho)| 0.4471899E-12 GRAD(Rho)x 0.3192280E-12 GRAD(Rho)y 0.1334179E-12 GRAD(Rho)z 0.2833230E-12 Laplacian 0.8691693E+00 (-1/4)Del**2(Rho)) -0.2172923E+00 Diamond 0.2796571E+01 Metallicity 0.6544819E+01 Ellipticity 0.1997969E-01 Gb(Abramov) 0.3818847E+00 Vb(Abramov) -0.5464771E+00 Hb(Abramov) -0.1645924E+00 Ex_ueg -0.1004067E+00 Ec_ueg -0.1333254E-01 Delta_ex -0.1029519E+00 Delta_ec 0.1927217E-01 Delta_et -0.2648537E+00 Pxc 0.7530953E+01 Qxc -0.5341997E+01 3,-1 159 3 +1 1.997764 -1.998071 2.024742 Rho 0.1197893E-01 |GRAD(Rho)| 0.4502709E-15 GRAD(Rho)x -0.2708831E-15 GRAD(Rho)y 0.2404579E-15 GRAD(Rho)z -0.2674813E-15 Laplacian 0.5630717E-01 (-1/4)Del**2(Rho)) -0.1407679E-01 Diamond 0.1763254E-02 Metallicity 0.7675022E+00 Ellipticity -0.1097063E+01 Gb(Abramov) 0.1118519E-01 Vb(Abramov) -0.8293587E-02 Hb(Abramov) 0.2891603E-02 Ex_ueg -0.2024304E-02 Ec_ueg -0.4585965E-03 Delta_ex -0.2625241E-02 Delta_ec 0.4787270E-03 Delta_et -0.3782056E-02 Pxc 0.4414130E+01 Qxc -0.5483795E+01 3,+1 160 3 +3 1.925066 -1.927629 1.945516 Rho 0.1195195E-01 |GRAD(Rho)| 0.1767527E-13 GRAD(Rho)x -0.1086107E-13 GRAD(Rho)y 0.8923965E-14 GRAD(Rho)z -0.1071518E-13 Laplacian 0.5575403E-01 (-1/4)Del**2(Rho)) -0.1393851E-01 Diamond 0.1424294E-02 Metallicity 0.7722094E+00 Ellipticity -0.8678843E+00 Gb(Abramov) 0.1108625E-01 Vb(Abramov) -0.8233984E-02 Hb(Abramov) 0.2852261E-02 Ex_ueg -0.2018228E-02 Ec_ueg -0.4573515E-03 Delta_ex -0.2505956E-02 Delta_ec 0.3100042E-03 Delta_et -0.2640816E-02 Pxc 0.4412860E+01 Qxc -0.8083621E+01 3,+3 161 3 -1 1.640404 -1.824016 0.452558 Rho 0.4953331E-01 |GRAD(Rho)| 0.5926686E-12 GRAD(Rho)x -0.3779430E-12 GRAD(Rho)y 0.4042169E-12 GRAD(Rho)z 0.2121883E-12 Laplacian 0.1964005E+00 (-1/4)Del**2(Rho)) -0.4910012E-01 Diamond 0.9832639E-01 Metallicity 0.2344046E+01 Ellipticity 0.1741197E-01 Gb(Abramov) 0.5191557E-01 Vb(Abramov) -0.5473102E-01 Hb(Abramov) -0.2815451E-02 Ex_ueg -0.1343532E-01 Ec_ueg -0.2389093E-02 Delta_ex -0.1612927E-01 Delta_ec 0.5854455E-02 Delta_et -0.6158355E-01 Pxc 0.5623608E+01 Qxc -0.2755042E+01 3,-1 162 3 +1 2.038528 1.995864 -1.998691 Rho 0.1172284E-01 |GRAD(Rho)| 0.2142688E-12 GRAD(Rho)x 0.5005106E-13 GRAD(Rho)y -0.1989181E-12 GRAD(Rho)z -0.6194839E-13 Laplacian 0.5411440E-01 (-1/4)Del**2(Rho)) -0.1352860E-01 Diamond 0.1691121E-02 Metallicity 0.7703508E+00 Ellipticity -0.1113605E+01 Gb(Abramov) 0.1075603E-01 Vb(Abramov) -0.7983456E-02 Hb(Abramov) 0.2772572E-02 Ex_ueg -0.1966809E-02 Ec_ueg -0.4467896E-03 Delta_ex -0.2521736E-02 Delta_ec 0.4847709E-03 Delta_et -0.3783534E-02 Pxc 0.4402093E+01 Qxc -0.5201912E+01 3,+1 163 3 -1 1.991631 3.001362 -0.854591 Rho 0.1489406E+00 |GRAD(Rho)| 0.4780968E-13 GRAD(Rho)x 0.3739744E-13 GRAD(Rho)y 0.2124151E-13 GRAD(Rho)z 0.2088050E-13 Laplacian 0.5806660E+00 (-1/4)Del**2(Rho)) -0.1451665E+00 Diamond 0.1172249E+01 Metallicity 0.4966401E+01 Ellipticity 0.4151458E-01 Gb(Abramov) 0.2169368E+00 Vb(Abramov) -0.2887072E+00 Hb(Abramov) -0.7177034E-01 Ex_ueg -0.5830902E-01 Ec_ueg -0.8375730E-02 Delta_ex -0.6230490E-01 Delta_ec 0.1485759E-01 Delta_et -0.1978137E+00 Pxc 0.6961664E+01 Qxc -0.4193473E+01 3,-1 164 3 -1 1.821968 2.798008 0.541965 Rho 0.1132350E+00 |GRAD(Rho)| 0.5249136E-13 GRAD(Rho)x 0.4548728E-13 GRAD(Rho)y 0.2567623E-13 GRAD(Rho)z -0.5194446E-14 Laplacian 0.4771339E+00 (-1/4)Del**2(Rho)) -0.1192835E+00 Diamond 0.6923519E+00 Metallicity 0.3827723E+01 Ellipticity 0.1383228E-01 Gb(Abramov) 0.1556197E+00 Vb(Abramov) -0.1919559E+00 Hb(Abramov) -0.3633620E-01 Ex_ueg -0.4046000E-01 Ec_ueg -0.6133529E-02 Delta_ex -0.4791912E-01 Delta_ec 0.1301710E-01 Delta_et -0.1656932E+00 Pxc 0.6596528E+01 Qxc -0.3681244E+01 3,-1 165 3 +1 2.921703 0.141967 -0.107708 Rho 0.4783764E-02 |GRAD(Rho)| 0.2456505E-15 GRAD(Rho)x 0.2894502E-16 GRAD(Rho)y 0.2275053E-15 GRAD(Rho)z -0.8802100E-16 Laplacian 0.1937895E-01 (-1/4)Del**2(Rho)) -0.4844737E-02 Diamond 0.4336131E-03 Metallicity 0.4829468E+00 Ellipticity -0.3502305E+01 Gb(Abramov) 0.3619783E-02 Vb(Abramov) -0.2394829E-02 Hb(Abramov) 0.1224954E-02 Ex_ueg -0.5953122E-03 Ec_ueg -0.1376192E-03 Delta_ex -0.9629958E-03 Delta_ec 0.6238856E-03 Delta_et -0.3337967E-02 Pxc 0.4325793E+01 Qxc -0.1543545E+01 3,+1 166 3 -1 2.722367 -1.877400 -0.588703 Rho 0.1368954E+00 |GRAD(Rho)| 0.4932196E-15 GRAD(Rho)x 0.8025807E-16 GRAD(Rho)y -0.4843538E-15 GRAD(Rho)z 0.4717635E-16 Laplacian 0.5598584E+00 (-1/4)Del**2(Rho)) -0.1399646E+00 Diamond 0.1020914E+01 Metallicity 0.4475584E+01 Ellipticity 0.7257716E-02 Gb(Abramov) 0.1977136E+00 Vb(Abramov) -0.2554627E+00 Hb(Abramov) -0.5774903E-01 Ex_ueg -0.5210790E-01 Ec_ueg -0.7609984E-02 Delta_ex -0.5884452E-01 Delta_ec 0.1461435E-01 Delta_et -0.1921290E+00 Pxc 0.6847307E+01 Qxc -0.4026489E+01 3,-1 167 3 -1 2.996842 -0.856443 2.006254 Rho 0.1716418E+00 |GRAD(Rho)| 0.4061587E-15 GRAD(Rho)x 0.3672735E-16 GRAD(Rho)y -0.3316574E-15 GRAD(Rho)z -0.2315585E-15 Laplacian 0.6645727E+00 (-1/4)Del**2(Rho)) -0.1661432E+00 Diamond 0.1563214E+01 Metallicity 0.5496791E+01 Ellipticity 0.6717076E-01 Gb(Abramov) 0.2629712E+00 Vb(Abramov) -0.3597992E+00 Hb(Abramov) -0.9682800E-01 Ex_ueg -0.7045026E-01 Ec_ueg -0.9843009E-02 Delta_ex -0.7362676E-01 Delta_ec 0.1599554E-01 Delta_et -0.2157725E+00 Pxc 0.7157390E+01 Qxc -0.4602955E+01 3,-1 168 3 -1 2.774089 -0.652963 -1.819851 Rho 0.1331715E+00 |GRAD(Rho)| 0.2368628E-14 GRAD(Rho)x -0.7292310E-15 GRAD(Rho)y -0.2243512E-14 GRAD(Rho)z -0.2127747E-15 Laplacian 0.5421544E+00 (-1/4)Del**2(Rho)) -0.1355386E+00 Diamond 0.9459996E+00 Metallicity 0.4414105E+01 Ellipticity 0.8880147E-02 Gb(Abramov) 0.1900726E+00 Vb(Abramov) -0.2446067E+00 Hb(Abramov) -0.5453406E-01 Ex_ueg -0.5022659E-01 Ec_ueg -0.7375118E-02 Delta_ex -0.5648309E-01 Delta_ec 0.1402945E-01 Delta_et -0.1832219E+00 Pxc 0.6810275E+01 Qxc -0.4026037E+01 3,-1 169 3 -1 2.779963 1.831496 0.562300 Rho 0.1376474E+00 |GRAD(Rho)| 0.8083810E-16 GRAD(Rho)x 0.2612250E-17 GRAD(Rho)y -0.4456071E-16 GRAD(Rho)z -0.6739672E-16 Laplacian 0.5755756E+00 (-1/4)Del**2(Rho)) -0.1438939E+00 Diamond 0.1054284E+01 Metallicity 0.4393300E+01 Ellipticity 0.1221097E-01 Gb(Abramov) 0.2012908E+00 Vb(Abramov) -0.2586877E+00 Hb(Abramov) -0.5739689E-01 Ex_ueg -0.5248991E-01 Ec_ueg -0.7657523E-02 Delta_ex -0.6055214E-01 Delta_ec 0.1496046E-01 Delta_et -0.1967570E+00 Pxc 0.6854685E+01 Qxc -0.4047478E+01 3,-1 170 3 -1 3.044880 2.017807 -0.853051 Rho 0.1882507E+00 |GRAD(Rho)| 0.1954790E-13 GRAD(Rho)x -0.8401672E-14 GRAD(Rho)y 0.1119520E-13 GRAD(Rho)z 0.1364550E-13 Laplacian 0.7296829E+00 (-1/4)Del**2(Rho)) -0.1824207E+00 Diamond 0.1935726E+01 Metallicity 0.5839468E+01 Ellipticity 0.4793747E-01 Gb(Abramov) 0.2991538E+00 Vb(Abramov) -0.4158869E+00 Hb(Abramov) -0.1167331E+00 Ex_ueg -0.7968327E-01 Ec_ueg -0.1093562E-01 Delta_ex -0.8288008E-01 Delta_ec 0.1737343E-01 Delta_et -0.2372885E+00 Pxc 0.7286578E+01 Qxc -0.4770509E+01 3,-1 171 3 -1 3.217004 3.224579 0.042825 Rho 0.2397749E+00 |GRAD(Rho)| 0.5904102E-15 GRAD(Rho)x -0.3905296E-15 GRAD(Rho)y -0.4253325E-15 GRAD(Rho)z -0.1231383E-15 Laplacian 0.8732979E+00 (-1/4)Del**2(Rho)) -0.2183245E+00 Diamond 0.3086185E+01 Metallicity 0.7302254E+01 Ellipticity 0.3470169E-02 Gb(Abramov) 0.4112598E+00 Vb(Abramov) -0.6041951E+00 Hb(Abramov) -0.1929353E+00 Ex_ueg -0.1100162E+00 Ec_ueg -0.1442355E-01 Delta_ex -0.1054920E+00 Delta_ec 0.1930740E-01 Delta_et -0.2674774E+00 Pxc 0.7627538E+01 Qxc -0.5463809E+01 3,-1 172 3 -1 3.276445 -0.112258 -3.183610 Rho 0.2227305E+00 |GRAD(Rho)| 0.5804220E-15 GRAD(Rho)x -0.4478297E-15 GRAD(Rho)y 0.6405602E-16 GRAD(Rho)z 0.3636414E-15 Laplacian 0.8095262E+00 (-1/4)Del**2(Rho)) -0.2023816E+00 Diamond 0.2627271E+01 Metallicity 0.6966509E+01 Ellipticity 0.1582028E-01 Gb(Abramov) 0.3699032E+00 Vb(Abramov) -0.5374248E+00 Hb(Abramov) -0.1675216E+00 Ex_ueg -0.9971445E-01 Ec_ueg -0.1325350E-01 Delta_ex -0.9598634E-01 Delta_ec 0.1838414E-01 Delta_et -0.2542515E+00 Pxc 0.7523631E+01 Qxc -0.5221149E+01 3,-1 173 3 -1 3.202244 0.047788 3.199113 Rho 0.2298686E+00 |GRAD(Rho)| 0.3273101E-15 GRAD(Rho)x -0.2916504E-15 GRAD(Rho)y 0.3022214E-17 GRAD(Rho)z 0.1485357E-15 Laplacian 0.8199654E+00 (-1/4)Del**2(Rho)) -0.2049914E+00 Diamond 0.2770998E+01 Metallicity 0.7249093E+01 Ellipticity 0.4312920E-02 Gb(Abramov) 0.3843278E+00 Vb(Abramov) -0.5636642E+00 Hb(Abramov) -0.1793364E+00 Ex_ueg -0.1039979E+00 Ec_ueg -0.1374157E-01 Delta_ex -0.9806123E-01 Delta_ec 0.1852264E-01 Delta_et -0.2568756E+00 Pxc 0.7568123E+01 Qxc -0.5294129E+01 3,-1 174 3 -1 -3.193569 3.147750 -0.081928 Rho 0.2359962E+00 |GRAD(Rho)| 0.4248525E-15 GRAD(Rho)x 0.2307182E-15 GRAD(Rho)y -0.3514983E-15 GRAD(Rho)z 0.6097282E-16 Laplacian 0.8739426E+00 (-1/4)Del**2(Rho)) -0.2184856E+00 Diamond 0.3015981E+01 Metallicity 0.7106221E+01 Ellipticity 0.6636588E-02 Gb(Abramov) 0.4044250E+00 Vb(Abramov) -0.5903643E+00 Hb(Abramov) -0.1859393E+00 Ex_ueg -0.1077106E+00 Ec_ueg -0.1416278E-01 Delta_ex -0.1050570E+00 Delta_ec 0.1927640E-01 Delta_et -0.2663047E+00 Pxc 0.7605186E+01 Qxc -0.5450034E+01 3,-1 175 3 -1 -3.199275 -0.036255 3.253865 Rho 0.2298428E+00 |GRAD(Rho)| 0.5456662E-12 GRAD(Rho)x 0.3835736E-12 GRAD(Rho)y 0.1268402E-12 GRAD(Rho)z -0.3667894E-12 Laplacian 0.8306103E+00 (-1/4)Del**2(Rho)) -0.2076526E+00 Diamond 0.2798354E+01 Metallicity 0.7154852E+01 Ellipticity 0.1100061E-02 Gb(Abramov) 0.3860557E+00 Vb(Abramov) -0.5644587E+00 Hb(Abramov) -0.1784031E+00 Ex_ueg -0.1039823E+00 Ec_ueg -0.1373980E-01 Delta_ex -0.9928493E-01 Delta_ec 0.1868075E-01 Delta_et -0.2587237E+00 Pxc 0.7567965E+01 Qxc -0.5314824E+01 3,-1 176 3 -1 -2.171949 -0.864734 -3.292234 Rho 0.2321032E+00 |GRAD(Rho)| 0.1035538E-13 GRAD(Rho)x -0.3286542E-14 GRAD(Rho)y -0.9533390E-14 GRAD(Rho)z -0.2355212E-14 Laplacian 0.8969519E+00 (-1/4)Del**2(Rho)) -0.2242380E+00 Diamond 0.3004282E+01 Metallicity 0.6734611E+01 Ellipticity 0.1654771E-01 Gb(Abramov) 0.4011845E+00 Vb(Abramov) -0.5781311E+00 Hb(Abramov) -0.1769466E+00 Ex_ueg -0.1053481E+00 Ec_ueg -0.1389494E-01 Delta_ex -0.1071908E+00 Delta_ec 0.1958518E-01 Delta_et -0.2691407E+00 Pxc 0.7581758E+01 Qxc -0.5473056E+01 3,-1 177 3 -1 -0.835354 -3.488506 -1.300638 Rho 0.3182395E+00 |GRAD(Rho)| 0.8762086E-16 GRAD(Rho)x -0.5842876E-16 GRAD(Rho)y -0.4361775E-16 GRAD(Rho)z 0.4858999E-16 Laplacian -0.1652963E+01 (-1/4)Del**2(Rho)) 0.4132406E+00 Diamond 0.5682147E+01 Metallicity -0.6184060E+01 Ellipticity 0.2455663E-02 Gb(Abramov) 0.1504237E+00 Vb(Abramov) -0.7140881E+00 Hb(Abramov) -0.5636644E+00 Ex_ueg -0.1604688E+00 Ec_ueg -0.2001562E-01 Delta_ex 0.1644572E+00 Delta_ec 0.5730160E-01 Delta_et -0.1358470E+01 Pxc 0.8017177E+01 Qxc 0.2870027E+01 3,-1 178 3 -1 -0.560942 -0.527609 -0.543682 Rho 0.1870616E+00 |GRAD(Rho)| 0.4918032E-12 GRAD(Rho)x 0.3008253E-12 GRAD(Rho)y 0.2709465E-12 GRAD(Rho)z 0.2792176E-12 Laplacian 0.5004679E+00 (-1/4)Del**2(Rho)) -0.1251170E+00 Diamond 0.1331783E+01 Metallicity 0.8424510E+01 Ellipticity 0.2550141E-01 Gb(Abramov) 0.2590862E+00 Vb(Abramov) -0.3930554E+00 Hb(Abramov) -0.1339692E+00 Ex_ueg -0.7901288E-01 Ec_ueg -0.1085687E-01 Delta_ex -0.5685918E-01 Delta_ec 0.1212420E-01 Delta_et -0.1660889E+00 Pxc 0.7277683E+01 Qxc -0.4689725E+01 3,-1 179 3 -1 -0.538012 2.742656 -1.796963 Rho 0.1167988E+00 |GRAD(Rho)| 0.4776662E-12 GRAD(Rho)x 0.2941471E-12 GRAD(Rho)y -0.5990194E-13 GRAD(Rho)z -0.3715566E-12 Laplacian 0.4825710E+00 (-1/4)Del**2(Rho)) -0.1206427E+00 Diamond 0.7129971E+00 Metallicity 0.3985194E+01 Ellipticity 0.2099203E-02 Gb(Abramov) 0.1605593E+00 Vb(Abramov) -0.2004758E+00 Hb(Abramov) -0.3991654E-01 Ex_ueg -0.4216671E-01 Ec_ueg -0.6353451E-02 Delta_ex -0.4862964E-01 Delta_ec 0.1272821E-01 Delta_et -0.1623893E+00 Pxc 0.6636820E+01 Qxc -0.3820620E+01 3,-1 180 3 -1 0.105379 3.203598 3.191781 Rho 0.2279773E+00 |GRAD(Rho)| 0.1851596E-10 GRAD(Rho)x 0.3136698E-11 GRAD(Rho)y 0.1258085E-10 GRAD(Rho)z 0.1321833E-10 Laplacian 0.8220936E+00 (-1/4)Del**2(Rho)) -0.2055234E+00 Diamond 0.2743325E+01 Metallicity 0.7131449E+01 Ellipticity 0.3148116E-02 Gb(Abramov) 0.3812956E+00 Vb(Abramov) -0.5570677E+00 Hb(Abramov) -0.1757722E+00 Ex_ueg -0.1028586E+00 Ec_ueg -0.1361198E-01 Delta_ex -0.9806319E-01 Delta_ec 0.1853985E-01 Delta_et -0.2566992E+00 Pxc 0.7556475E+01 Qxc -0.5289319E+01 3,-1 181 3 -1 1.979284 -0.844979 2.994482 Rho 0.1292215E+00 |GRAD(Rho)| 0.2321781E-15 GRAD(Rho)x -0.1280443E-15 GRAD(Rho)y -0.1892678E-15 GRAD(Rho)z -0.4109804E-16 Laplacian 0.5019037E+00 (-1/4)Del**2(Rho)) -0.1254759E+00 Diamond 0.8448342E+00 Metallicity 0.4534723E+01 Ellipticity 0.4103805E-01 Gb(Abramov) 0.1784837E+00 Vb(Abramov) -0.2314915E+00 Hb(Abramov) -0.5300778E-01 Ex_ueg -0.4825009E-01 Ec_ueg -0.7126977E-02 Delta_ex -0.5191248E-01 Delta_ec 0.1308626E-01 Delta_et -0.1700956E+00 Pxc 0.6770063E+01 Qxc -0.3966945E+01 3,-1 182 3 -1 1.909611 -0.621643 -2.977276 Rho 0.2262049E+00 |GRAD(Rho)| 0.2638040E-15 GRAD(Rho)x -0.2201473E-15 GRAD(Rho)y -0.1362300E-15 GRAD(Rho)z -0.5068645E-16 Laplacian 0.8551541E+00 (-1/4)Del**2(Rho)) -0.2137885E+00 Diamond 0.2799846E+01 Metallicity 0.6767147E+01 Ellipticity 0.1672338E-01 Gb(Abramov) 0.3836487E+00 Vb(Abramov) -0.5535089E+00 Hb(Abramov) -0.1698602E+00 Ex_ueg -0.1017938E+00 Ec_ueg -0.1349071E-01 Delta_ex -0.1016443E+00 Delta_ec 0.1904981E-01 Delta_et -0.2625195E+00 Pxc 0.7545468E+01 Qxc -0.5335712E+01 3,-1 183 3 -1 2.773032 0.568480 1.826442 Rho 0.1300053E+00 |GRAD(Rho)| 0.1285500E-11 GRAD(Rho)x 0.3043143E-12 GRAD(Rho)y 0.8431406E-12 GRAD(Rho)z -0.9214210E-12 Laplacian 0.5472526E+00 (-1/4)Del**2(Rho)) -0.1368132E+00 Diamond 0.9222434E+00 Metallicity 0.4201073E+01 Ellipticity 0.1823046E-01 Gb(Abramov) 0.1870024E+00 Vb(Abramov) -0.2371917E+00 Hb(Abramov) -0.5018928E-01 Ex_ueg -0.4864068E-01 Ec_ueg -0.7176131E-02 Delta_ex -0.5661766E-01 Delta_ec 0.1412655E-01 Delta_et -0.1835677E+00 Pxc 0.6778120E+01 Qxc -0.4007889E+01 3,-1 184 3 -1 3.146904 -3.270176 -0.075095 Rho 0.2347930E+00 |GRAD(Rho)| 0.6732748E-14 GRAD(Rho)x 0.3758712E-14 GRAD(Rho)y -0.9452075E-15 GRAD(Rho)z -0.5505321E-14 Laplacian 0.8684082E+00 (-1/4)Del**2(Rho)) -0.2171020E+00 Diamond 0.2983496E+01 Metallicity 0.7090842E+01 Ellipticity 0.1444847E-01 Gb(Abramov) 0.4013074E+00 Vb(Abramov) -0.5855128E+00 Hb(Abramov) -0.1842054E+00 Ex_ueg -0.1069790E+00 Ec_ueg -0.1407991E-01 Delta_ex -0.1042800E+00 Delta_ec 0.1923208E-01 Delta_et -0.2658542E+00 Pxc 0.7597989E+01 Qxc -0.5422190E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 131 121 114 138 132 130 140 178 112 113 135 116 179 134 136 123 110 133 137 119 109 180 161 166 158 142 157 184 155 169 164 170 163 171 77 75 86 61 87 174 69 84 83 63 65 58 98 74 89 66 176 56 76 100 88 72 91 175 147 183 149 167 181 173 150 168 182 148 152 172 115 68 141 107 103 124 129 177 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 17 21 21 22 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 19 28 36 24 27 52 52 2.371950 1.931497 1.905632 1.954484 1.944228 1.742139 1.715724 1.695823 1.710632 1.713956 2.381361 1.917909 1.990633 1.901042 1.989688 1.732136 2.426882 1.897856 1.876563 2.058577 1.940221 1.736372 2.373537 1.950052 1.768011 2.169467 1.975439 1.751760 2.461384 1.945994 2.024026 1.836870 1.927169 1.743880 2.363828 1.833048 1.912359 2.001233 2.006245 1.749797 2.337938 1.902054 1.996620 1.926900 1.945918 1.741539 2.333423 2.160621 1.973595 1.981007 1.755420 1.755130 2.428560 2.008122 1.954388 1.923288 1.883821 1.732987 2.498842 1.943960 2.016579 1.847216 1.959941 1.733372 2.428071 1.936735 1.739769 2.195584 2.051121 1.745627 3.197205 3.175624 3.068592 3.272994 3.223954 3.217669 1.840993 0.997663 2.373670 1.931943 1.906175 1.955107 1.944869 1.742146 1.715739 1.695880 1.710651 1.713967 2.383113 1.918458 1.991282 1.901771 1.990521 1.732158 2.428644 1.898453 1.877018 2.059272 1.940983 1.736385 2.375222 1.950515 1.768073 2.170040 1.976025 1.751779 2.463165 1.946421 2.024405 1.837197 1.927753 1.743891 2.365294 1.833329 1.912793 2.001818 2.006827 1.749808 2.340044 1.902603 1.997025 1.927568 1.947231 1.741555 2.335685 2.161017 1.974011 1.981635 1.755438 1.755152 2.430181 2.008804 1.955043 1.924038 1.884430 1.733006 2.500273 1.944499 2.017269 1.847749 1.960681 1.733391 2.429797 1.937258 1.739858 2.196437 2.051805 1.745667 3.203585 3.180962 3.082407 3.275881 3.227724 3.222180 1.844281 0.997780 30 27 28 29 27 22 22 21 22 23 30 27 23 27 29 23 30 29 28 29 28 21 29 27 24 29 26 23 31 23 27 23 26 21 30 23 27 26 30 22 30 29 27 28 27 23 30 28 27 26 21 24 30 28 29 28 29 21 32 23 28 24 23 21 29 27 22 29 27 23 35 35 33 35 35 35 27 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 W As Mo Mo W W W W W 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 H 2.4573 2.4482 2.3127 2.3272 2.3723 2.4215 2.4336 2.4574 2.3877 2.3102 2.3085 2.2068 -1.1241 -1.0319 -1.1148 -1.1143 -0.9306 -0.9647 -0.9323 -0.9382 -0.6851 -0.9081 -0.9398 -0.9285 -0.9357 -0.9609 -0.9184 -0.8249 -0.8928 -0.9901 -0.9301 -0.9315 -0.9385 -0.9096 -0.9016 -0.7962 -0.8011 -0.9423 -0.9821 -0.9365 -0.8003 -0.7563 -0.7202 -0.7407 -0.8258 -0.8073 -0.8220 -0.7963 -0.8282 -0.7289 -0.7331 0.3202 2.0906 0.8312 1.9531 1.9405 2.1231 2.0980 2.0956 2.1101 2.1236 1.9468 1.9665 1.9891 1.9361 1.9468 1.9396 1.9359 1.9351 1.9357 1.9411 1.9348 1.9818 1.9404 1.9351 1.9347 1.9351 1.9312 1.9404 1.9650 1.9529 1.9402 1.9493 1.9462 1.9428 1.9473 1.9481 1.9586 1.8769 1.9460 1.9418 1.9432 1.9640 1.9699 1.9750 1.9724 1.9598 1.9627 1.9606 1.9639 1.9576 1.9739 1.9741 0.5378 6.0958 1.1703 6.0868 6.0772 6.1104 6.1003 6.0974 6.1004 6.0954 6.0854 6.0757 6.1101 5.1509 5.0477 5.1384 5.1412 4.9680 5.0017 4.9611 4.9764 4.6697 4.9425 4.9776 4.9660 4.9730 4.9995 4.9501 4.8264 4.9119 5.0182 4.9512 4.9562 4.9665 4.9352 4.9257 4.8046 4.8941 4.9688 5.0089 4.9637 4.8014 4.7557 4.7123 4.7361 4.8326 4.8098 4.8277 4.7975 4.8377 4.7223 4.7263 0.1420 3.3267 10.5502 3.6473 3.6551 3.3658 3.3511 3.3437 3.3029 3.3648 3.6577 3.6493 3.6940 0.0371 0.0373 0.0368 0.0372 0.0275 0.0273 0.0302 0.0271 0.0336 0.0252 0.0271 0.0277 0.0277 0.0301 0.0279 0.0334 0.0281 0.0317 0.0296 0.0292 0.0292 0.0271 0.0278 0.0330 0.0301 0.0275 0.0313 0.0296 0.0350 0.0307 0.0329 0.0321 0.0334 0.0348 0.0337 0.0348 0.0329 0.0327 0.0327 0.0000 14.0296 0.0000 0.0000 0.0000 14.0284 14.0291 14.0296 14.0292 14.0285 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 W As Mo Mo W W W W W 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 H 2.510673 2.313415 3.172172 3.172386 2.474281 2.498850 2.495883 2.524346 2.492505 3.173557 3.167323 3.132348 -1.123712 -1.032641 -1.170071 -1.168082 -1.065750 -1.101763 -0.957219 -1.084201 -0.975189 -1.191241 -1.087309 -1.077790 -1.075031 -0.964287 -1.093102 -0.803997 -1.076355 -0.955368 -1.010605 -1.069864 -1.065323 -1.159541 -1.161457 -0.844895 -0.619738 -1.076559 -0.959202 -1.055553 -0.836132 -1.034215 -0.991869 -1.013478 -0.869950 -0.844465 -0.863397 -0.831438 -0.873636 -1.001693 -1.006105 0.064479 1.938876 1.704509 2.365253 2.368229 1.922280 1.952201 1.935080 1.959168 1.946473 2.362952 2.362525 2.341094 -0.782621 -0.710033 -0.849464 -0.844252 -0.819739 -0.832724 -0.737307 -0.820350 -0.767096 -0.930346 -0.819288 -0.823081 -0.825493 -0.721449 -0.838184 -0.665117 -0.881251 -0.772662 -0.862898 -0.875527 -0.862751 -0.948923 -0.951490 -0.743480 -0.806396 -0.881643 -0.784897 -0.861443 -0.735668 -0.819948 -0.768562 -0.789158 -0.771766 -0.734620 -0.756828 -0.723241 -0.785053 -0.778283 -0.784905 0.309302 2.044428 1.674835 2.456814 2.453649 2.007758 2.050103 2.033232 2.064926 2.036091 2.449897 2.451399 2.414235 -0.825814 -0.774697 -0.872827 -0.871382 -0.908523 -0.915677 -0.801461 -0.920045 -0.774452 -1.003172 -0.920600 -0.898665 -0.901278 -0.833128 -0.912327 -0.733844 -0.899751 -0.806235 -0.891324 -0.916010 -0.894205 -0.996083 -0.977330 -0.723690 -0.810617 -0.929290 -0.836080 -0.893347 -0.695087 -0.788881 -0.730213 -0.747864 -0.736118 -0.698802 -0.716754 -0.704168 -0.771151 -0.740148 -0.751207 0.384882 1.69698034 -0.14422890 1.72637064 2.42505667 -18.68879377 3.18712351 -7.70660499 7.68022050 8.20949706 11.00857327 -353.6793 408.2991 -85.5469 -373.1243 -42.7111 -446.7625 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Jun10-2024 15:28:38 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Jun10-2024 15:28:49 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Jun10-2024 15:28:59 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:05 Nodes: 1 Procs: 1 Jun10-2024 15:29:11 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:30 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -15.82711351 -16.23085553 -16.07704961 -16.15763966 -16.31045814 -16.34822211 -16.38828807 -16.39252510 -16.39472787 -16.39480465 -16.39827315 -16.40384967 -16.40765195 -16.40984754 -16.41073831 -16.41514730 -16.41558127 -16.41682401 -16.41735970 -16.41780302 -16.41786930 -16.41800262 -16.41803868 -16.41810243 -16.41813968 -16.41816998 -16.41819159 -16.41820716 -16.41821925 GEOMETRY CONVERGED