ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 19:37:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.01 0.41 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 Apr10-2024 19:37:16 Nodes: 1 Procs: 1 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 19:37:17 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 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 Apr10-2024 19:37:16 Nodes: 1 Procs: 1 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 0 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 19:37:18 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.04 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr10-2024 19:37:16 Nodes: 1 Procs: 1 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 0 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr10-2024 19:37:18 Nodes: 1 Procs: 1 Apr10-2024 19:37:19 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 19:37:20 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.02 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr10-2024 19:37:16 Nodes: 1 Procs: 1 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 0 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr10-2024 19:37:18 Nodes: 1 Procs: 1 Apr10-2024 19:37:19 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr10-2024 19:37:20 Nodes: 1 Procs: 1 Apr10-2024 19:37:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 19:37:20 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.02 1.41 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 Apr10-2024 19:37:16 Nodes: 1 Procs: 1 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 0 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr10-2024 19:37:18 Nodes: 1 Procs: 1 Apr10-2024 19:37:19 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr10-2024 19:37:20 Nodes: 1 Procs: 1 Apr10-2024 19:37:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr10-2024 19:37:20 Nodes: 1 Procs: 1 Apr10-2024 19:37:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 19:37:23 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2413.490361000002 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-0.6859148E-12 GRAD(Rho)y 0.8114171E-12 GRAD(Rho)z -0.1174777E-11 Laplacian 0.6254097E+00 (-1/4)Del**2(Rho)) -0.1563524E+00 Diamond 0.1354140E+01 Metallicity 0.5088856E+01 Ellipticity 0.6337625E-01 Gb(Abramov) 0.2368441E+00 Vb(Abramov) -0.3173358E+00 Hb(Abramov) -0.8049168E-01 Ex_ueg -0.6309414E-01 Ec_ueg -0.8958657E-02 Delta_ex -0.6807736E-01 Delta_ec 0.1574497E-01 Delta_et -0.2112751E+00 Pxc 0.7042812E+01 Qxc -0.4323753E+01 3,-1 56 3 -1 -0.212977 -1.321694 -3.370062 Rho 0.5530553E-02 |GRAD(Rho)| 0.7248135E-16 GRAD(Rho)x 0.3786515E-16 GRAD(Rho)y 0.4339614E-17 GRAD(Rho)z 0.6165180E-16 Laplacian 0.2192057E-01 (-1/4)Del**2(Rho)) -0.5480142E-02 Diamond 0.8900590E-03 Metallicity 0.5437204E+00 Ellipticity 0.5585490E-01 Gb(Abramov) 0.4150039E-02 Vb(Abramov) -0.2819935E-02 Hb(Abramov) 0.1330103E-02 Ex_ueg -0.7223424E-03 Ec_ueg -0.1698156E-03 Delta_ex -0.1358720E-02 Delta_ec 0.1131747E-02 Delta_et -0.6158861E-02 Pxc 0.4253686E+01 Qxc -0.1200551E+01 3,-1 57 3 -1 -2.988031 -0.936484 -2.050936 Rho 0.1212284E+00 |GRAD(Rho)| 0.6405630E-12 GRAD(Rho)x -0.2914058E-12 GRAD(Rho)y -0.4138537E-12 GRAD(Rho)z 0.3925925E-12 Laplacian 0.4659301E+00 (-1/4)Del**2(Rho)) -0.1164825E+00 Diamond 0.7388085E+00 Metallicity 0.4391703E+01 Ellipticity 0.2649873E-01 Gb(Abramov) 0.1629145E+00 Vb(Abramov) -0.2093464E+00 Hb(Abramov) -0.4643193E-01 Ex_ueg -0.4431229E-01 Ec_ueg -0.6628049E-02 Delta_ex -0.4762278E-01 Delta_ec 0.1262829E-01 Delta_et -0.1629072E+00 Pxc 0.6685570E+01 Qxc -0.3771119E+01 3,-1 58 3 +1 -0.633148 -1.692208 0.557275 Rho 0.8804183E-02 |GRAD(Rho)| 0.1411320E-16 GRAD(Rho)x 0.5161660E-17 GRAD(Rho)y -0.9303810E-17 GRAD(Rho)z 0.9272470E-17 Laplacian 0.3637949E-01 (-1/4)Del**2(Rho)) -0.9094873E-02 Diamond 0.1064797E-02 Metallicity 0.7110579E+00 Ellipticity -0.1455137E+01 Gb(Abramov) 0.7141079E-02 Vb(Abramov) -0.5187285E-02 Hb(Abramov) 0.1953794E-02 Ex_ueg -0.1342674E-02 Ec_ueg -0.3141251E-03 Delta_ex -0.1697893E-02 Delta_ec 0.5583821E-03 Delta_et -0.3802124E-02 Pxc 0.4274328E+01 Qxc -0.3040737E+01 3,+1 59 3 +1 -2.195253 -1.064397 -1.372883 Rho 0.2619771E-01 |GRAD(Rho)| 0.3133635E-16 GRAD(Rho)x -0.2627096E-16 GRAD(Rho)y -0.1688624E-16 GRAD(Rho)z 0.2580264E-17 Laplacian 0.1060617E+00 (-1/4)Del**2(Rho)) -0.2651544E-01 Diamond 0.1429874E-01 Metallicity 0.1501389E+01 Ellipticity -0.2894604E+01 Gb(Abramov) 0.2431195E-01 Vb(Abramov) -0.2210847E-01 Hb(Abramov) 0.2203483E-02 Ex_ueg -0.5746491E-02 Ec_ueg -0.1149204E-02 Delta_ex -0.6628930E-02 Delta_ec 0.1709395E-02 Delta_et -0.1528009E-01 Pxc 0.5000410E+01 Qxc -0.3877940E+01 3,+1 60 3 +1 -2.911386 -0.205583 -0.198596 Rho 0.5120713E-02 |GRAD(Rho)| 0.1605596E-15 GRAD(Rho)x -0.2210193E-16 GRAD(Rho)y -0.1213408E-15 GRAD(Rho)z -0.1027974E-15 Laplacian 0.2107988E-01 (-1/4)Del**2(Rho)) -0.5269970E-02 Diamond 0.4155888E-03 Metallicity 0.4973122E+00 Ellipticity -0.1641954E+01 Gb(Abramov) 0.3950117E-02 Vb(Abramov) -0.2630263E-02 Hb(Abramov) 0.1319853E-02 Ex_ueg -0.6518670E-03 Ec_ueg -0.1521113E-03 Delta_ex -0.9701456E-03 Delta_ec 0.5160137E-03 Delta_et -0.2882116E-02 Pxc 0.4285461E+01 Qxc -0.1880077E+01 3,+1 61 3 +3 -2.404986 0.018877 0.043548 Rho 0.4755249E-02 |GRAD(Rho)| 0.4121522E-15 GRAD(Rho)x 0.3061510E-15 GRAD(Rho)y 0.1948585E-15 GRAD(Rho)z 0.1953743E-15 Laplacian 0.1980903E-01 (-1/4)Del**2(Rho)) -0.4952257E-02 Diamond 0.2003273E-03 Metallicity 0.4677769E+00 Ellipticity -0.4333924E+00 Gb(Abramov) 0.3687596E-02 Vb(Abramov) -0.2422936E-02 Hb(Abramov) 0.1264660E-02 Ex_ueg -0.5905854E-03 Ec_ueg -0.1363954E-03 Delta_ex -0.7456043E-03 Delta_ec 0.2134363E-03 Delta_et -0.1308554E-02 Pxc 0.4329951E+01 Qxc -0.3493335E+01 3,+3 62 3 +3 -1.839987 1.837508 1.872691 Rho 0.1238171E-01 |GRAD(Rho)| 0.7399901E-14 GRAD(Rho)x 0.2865969E-14 GRAD(Rho)y -0.6221529E-14 GRAD(Rho)z -0.2799524E-14 Laplacian 0.5645131E-01 (-1/4)Del**2(Rho)) -0.1411283E-01 Diamond 0.1258759E-02 Metallicity 0.8089223E+00 Ellipticity -0.6633206E+00 Gb(Abramov) 0.1131125E-01 Vb(Abramov) -0.8509669E-02 Hb(Abramov) 0.2801579E-02 Ex_ueg -0.2115562E-02 Ec_ueg -0.4772186E-03 Delta_ex -0.2492295E-02 Delta_ec 0.1871543E-03 Delta_et -0.1826263E-02 Pxc 0.4433110E+01 Qxc -0.1331679E+02 3,+3 63 3 -1 -2.783493 -0.549944 1.851466 Rho 0.1434089E+00 |GRAD(Rho)| 0.4321068E-14 GRAD(Rho)x -0.6918565E-15 GRAD(Rho)y 0.2861630E-14 GRAD(Rho)z 0.3162916E-14 Laplacian 0.6006261E+00 (-1/4)Del**2(Rho)) -0.1501565E+00 Diamond 0.1156396E+01 Metallicity 0.4507847E+01 Ellipticity 0.9924501E-02 Gb(Abramov) 0.2129181E+00 Vb(Abramov) -0.2756797E+00 Hb(Abramov) -0.6276159E-01 Ex_ueg -0.5543957E-01 Ec_ueg -0.8022933E-02 Delta_ex -0.6382878E-01 Delta_ec 0.1546928E-01 Delta_et -0.2047380E+00 Pxc 0.6910138E+01 Qxc -0.4126164E+01 3,-1 64 3 -1 -2.772215 0.491815 -1.853449 Rho 0.6832255E-01 |GRAD(Rho)| 0.4769477E-13 GRAD(Rho)x 0.4304081E-14 GRAD(Rho)y -0.3013895E-13 GRAD(Rho)z -0.3671390E-13 Laplacian 0.2893067E+00 (-1/4)Del**2(Rho)) -0.7232668E-01 Diamond 0.2274273E+00 Metallicity 0.2719744E+01 Ellipticity 0.6785409E-02 Gb(Abramov) 0.8100280E-01 Vb(Abramov) -0.8967892E-01 Hb(Abramov) -0.8676121E-02 Ex_ueg -0.2062863E-01 Ec_ueg -0.3450261E-02 Delta_ex -0.2587561E-01 Delta_ec 0.8762995E-02 Delta_et -0.1001344E+00 Pxc 0.5978863E+01 Qxc -0.2952827E+01 3,-1 65 3 +1 -0.224566 -0.414857 -3.055737 Rho 0.3219218E-02 |GRAD(Rho)| 0.3550890E-17 GRAD(Rho)x -0.2002785E-17 GRAD(Rho)y 0.2930390E-17 GRAD(Rho)z -0.1024265E-18 Laplacian 0.1275546E-01 (-1/4)Del**2(Rho)) -0.3188864E-02 Diamond 0.1436198E-03 Metallicity 0.3791705E+00 Ellipticity -0.1550140E+01 Gb(Abramov) 0.2327430E-02 Vb(Abramov) -0.1465996E-02 Hb(Abramov) 0.8614343E-03 Ex_ueg -0.3510635E-03 Ec_ueg -0.7110233E-04 Delta_ex -0.5489891E-03 Delta_ec 0.3387793E-03 Delta_et -0.1637085E-02 Pxc 0.4937440E+01 Qxc -0.1620492E+01 3,+1 66 3 +1 -0.325068 -1.124173 -2.561652 Rho 0.3523828E-02 |GRAD(Rho)| 0.1967119E-17 GRAD(Rho)x 0.1458538E-17 GRAD(Rho)y -0.1306125E-17 GRAD(Rho)z 0.1904236E-18 Laplacian 0.1420427E-01 (-1/4)Del**2(Rho)) -0.3551068E-02 Diamond 0.1405094E-03 Metallicity 0.3958695E+00 Ellipticity -0.1292494E+01 Gb(Abramov) 0.2601672E-02 Vb(Abramov) -0.1652276E-02 Hb(Abramov) 0.9493961E-03 Ex_ueg -0.3960390E-03 Ec_ueg -0.8395093E-04 Delta_ex -0.5627850E-03 Delta_ec 0.2713654E-03 Delta_et -0.1399082E-02 Pxc 0.4717507E+01 Qxc -0.2073901E+01 3,+1 67 3 +3 -1.127833 -1.106781 1.177877 Rho 0.5053568E-02 |GRAD(Rho)| 0.1777370E-17 GRAD(Rho)x 0.2828428E-18 GRAD(Rho)y 0.4391336E-18 GRAD(Rho)z -0.1698883E-17 Laplacian 0.2079668E-01 (-1/4)Del**2(Rho)) -0.5199170E-02 Diamond 0.1563593E-03 Metallicity 0.4931163E+00 Ellipticity -0.1287366E+00 Gb(Abramov) 0.3893413E-02 Vb(Abramov) -0.2587655E-02 Hb(Abramov) 0.1305757E-02 Ex_ueg -0.6404952E-03 Ec_ueg -0.1492188E-03 Delta_ex -0.7288735E-03 Delta_ec 0.1063105E-03 Delta_et -0.8007261E-03 Pxc 0.4292323E+01 Qxc -0.6856081E+01 3,+3 68 3 +1 -1.726073 -0.508652 0.588751 Rho 0.9435981E-02 |GRAD(Rho)| 0.1777944E-13 GRAD(Rho)x 0.1167192E-13 GRAD(Rho)y 0.1337077E-13 GRAD(Rho)z -0.1047533E-14 Laplacian 0.3992547E-01 (-1/4)Del**2(Rho)) -0.9981369E-02 Diamond 0.1277784E-02 Metallicity 0.7272351E+00 Ellipticity -0.1450805E+01 Gb(Abramov) 0.7864046E-02 Vb(Abramov) -0.5746723E-02 Hb(Abramov) 0.2117323E-02 Ex_ueg -0.1472655E-02 Ec_ueg -0.3425377E-03 Delta_ex -0.1893447E-02 Delta_ec 0.6081853E-03 Delta_et -0.4220422E-02 Pxc 0.4299251E+01 Qxc -0.3113273E+01 3,+1 69 3 +3 0.029758 -0.061874 2.336715 Rho 0.4328274E-02 |GRAD(Rho)| 0.2621642E-14 GRAD(Rho)x 0.1503210E-14 GRAD(Rho)y -0.9259495E-15 GRAD(Rho)z -0.1938037E-14 Laplacian 0.1788522E-01 (-1/4)Del**2(Rho)) -0.4471304E-02 Diamond 0.1458141E-03 Metallicity 0.4429046E+00 Ellipticity -0.3672907E+00 Gb(Abramov) 0.3310930E-02 Vb(Abramov) -0.2150555E-02 Hb(Abramov) 0.1160375E-02 Ex_ueg -0.5209604E-03 Ec_ueg -0.1181212E-03 Delta_ex -0.6424947E-03 Delta_ec 0.1657658E-03 Delta_et -0.1024845E-02 Pxc 0.4410388E+01 Qxc -0.3875919E+01 3,+3 70 3 +1 2.957296 -0.097840 0.132511 Rho 0.4960078E-02 |GRAD(Rho)| 0.4740748E-17 GRAD(Rho)x 0.1164895E-17 GRAD(Rho)y 0.2779605E-17 GRAD(Rho)z 0.3659441E-17 Laplacian 0.2042470E-01 (-1/4)Del**2(Rho)) -0.5106175E-02 Diamond 0.4901660E-03 Metallicity 0.4867116E+00 Ellipticity -0.3465389E+01 Gb(Abramov) 0.3818322E-02 Vb(Abramov) -0.2530470E-02 Hb(Abramov) 0.1287853E-02 Ex_ueg -0.6247454E-03 Ec_ueg -0.1451952E-03 Delta_ex -0.1031727E-02 Delta_ec 0.6749386E-03 Delta_et -0.3643809E-02 Pxc 0.4302797E+01 Qxc -0.1528624E+01 3,+1 71 3 +1 1.660937 -0.548476 -0.568658 Rho 0.8354263E-02 |GRAD(Rho)| 0.2178187E-15 GRAD(Rho)x -0.1593151E-15 GRAD(Rho)y 0.2014625E-16 GRAD(Rho)z 0.1471660E-15 Laplacian 0.3475460E-01 (-1/4)Del**2(Rho)) -0.8688649E-02 Diamond 0.9300723E-03 Metallicity 0.6819950E+00 Ellipticity -0.1406639E+01 Gb(Abramov) 0.6780035E-02 Vb(Abramov) -0.4871421E-02 Hb(Abramov) 0.1908614E-02 Ex_ueg -0.1251976E-02 Ec_ueg -0.2939986E-03 Delta_ex -0.1593000E-02 Delta_ec 0.5191714E-03 Delta_et -0.3497453E-02 Pxc 0.4258441E+01 Qxc -0.3068351E+01 3,+1 72 3 +1 -0.556158 -0.573681 1.711235 Rho 0.8191963E-02 |GRAD(Rho)| 0.5460994E-17 GRAD(Rho)x -0.1213160E-17 GRAD(Rho)y 0.4159825E-18 GRAD(Rho)z -0.5308263E-17 Laplacian 0.3373941E-01 (-1/4)Del**2(Rho)) -0.8434853E-02 Diamond 0.8909469E-03 Metallicity 0.6799165E+00 Ellipticity -0.1423201E+01 Gb(Abramov) 0.6579068E-02 Vb(Abramov) -0.4723283E-02 Hb(Abramov) 0.1855785E-02 Ex_ueg -0.1219651E-02 Ec_ueg -0.2867605E-03 Delta_ex -0.1544603E-02 Delta_ec 0.5141617E-03 Delta_et -0.3438085E-02 Pxc 0.4253205E+01 Qxc -0.3004119E+01 3,+1 73 3 +1 1.291254 1.024698 -2.109911 Rho 0.2527486E-01 |GRAD(Rho)| 0.1297693E-16 GRAD(Rho)x 0.1121595E-16 GRAD(Rho)y -0.1401013E-17 GRAD(Rho)z -0.6374977E-17 Laplacian 0.1001000E+00 (-1/4)Del**2(Rho)) -0.2502500E-01 Diamond 0.1385901E-01 Metallicity 0.1498512E+01 Ellipticity -0.4616166E+01 Gb(Abramov) 0.2293338E-01 Vb(Abramov) -0.2084176E-01 Hb(Abramov) 0.2091623E-02 Ex_ueg -0.5478185E-02 Ec_ueg -0.1102563E-02 Delta_ex -0.6304740E-02 Delta_ec 0.1807256E-02 Delta_et -0.1597132E-01 Pxc 0.4968592E+01 Qxc -0.3488570E+01 3,+1 74 3 +3 -0.107216 -2.415105 -0.065826 Rho 0.3971984E-02 |GRAD(Rho)| 0.4356856E-16 GRAD(Rho)x -0.2917181E-16 GRAD(Rho)y 0.3218725E-16 GRAD(Rho)z -0.3347474E-17 Laplacian 0.1629143E-01 (-1/4)Del**2(Rho)) -0.4072857E-02 Diamond 0.1202487E-03 Metallicity 0.4213728E+00 Ellipticity -0.2293071E+00 Gb(Abramov) 0.3001270E-02 Vb(Abramov) -0.1929683E-02 Hb(Abramov) 0.1071587E-02 Ex_ueg -0.4645812E-03 Ec_ueg -0.1029449E-03 Delta_ex -0.5752150E-03 Delta_ec 0.1555631E-03 Delta_et -0.9355414E-03 Pxc 0.4512911E+01 Qxc -0.3697631E+01 3,+3 75 3 +3 -0.201614 -0.438229 -2.600804 Rho 0.3026840E-02 |GRAD(Rho)| 0.5896517E-17 GRAD(Rho)x -0.5068873E-17 GRAD(Rho)y 0.2983250E-17 GRAD(Rho)z 0.4191142E-18 Laplacian 0.1208531E-01 (-1/4)Del**2(Rho)) -0.3021327E-02 Diamond 0.8742944E-04 Metallicity 0.3611364E+00 Ellipticity -0.7519513E+00 Gb(Abramov) 0.2196070E-02 Vb(Abramov) -0.1370813E-02 Hb(Abramov) 0.8252572E-03 Ex_ueg -0.3233735E-03 Ec_ueg -0.6301371E-04 Delta_ex -0.4454489E-03 Delta_ec 0.1984576E-03 Delta_et -0.1001841E-02 Pxc 0.5131795E+01 Qxc -0.2244555E+01 3,+3 76 3 +1 -0.623841 0.490811 -1.683699 Rho 0.8839240E-02 |GRAD(Rho)| 0.2375840E-16 GRAD(Rho)x 0.1519055E-16 GRAD(Rho)y 0.1823818E-16 GRAD(Rho)z 0.1038151E-17 Laplacian 0.3756316E-01 (-1/4)Del**2(Rho)) -0.9390790E-02 Diamond 0.1135826E-02 Metallicity 0.6932277E+00 Ellipticity -0.1455617E+01 Gb(Abramov) 0.7345519E-02 Vb(Abramov) -0.5300249E-02 Hb(Abramov) 0.2045271E-02 Ex_ueg -0.1349807E-02 Ec_ueg -0.3156970E-03 Delta_ex -0.1768092E-02 Delta_ec 0.6001420E-03 Delta_et -0.4073317E-02 Pxc 0.4275640E+01 Qxc -0.2946123E+01 3,+1 77 3 +1 -1.734449 0.536651 -0.505194 Rho 0.9342482E-02 |GRAD(Rho)| 0.3378917E-15 GRAD(Rho)x -0.2226524E-15 GRAD(Rho)y -0.1417492E-16 GRAD(Rho)z -0.2537632E-15 Laplacian 0.3901704E-01 (-1/4)Del**2(Rho)) -0.9754261E-02 Diamond 0.1265332E-02 Metallicity 0.7319183E+00 Ellipticity -0.1494268E+01 Gb(Abramov) 0.7692727E-02 Vb(Abramov) -0.5631194E-02 Hb(Abramov) 0.2061533E-02 Ex_ueg -0.1453231E-02 Ec_ueg -0.3383220E-03 Delta_ex -0.1859233E-02 Delta_ec 0.6184479E-03 Delta_et -0.4262902E-02 Pxc 0.4295409E+01 Qxc -0.3006288E+01 3,+1 78 3 -1 -0.414467 0.333092 0.359343 Rho 0.1948945E+00 |GRAD(Rho)| 0.4766759E-15 GRAD(Rho)x -0.4006017E-15 GRAD(Rho)y 0.2576978E-15 GRAD(Rho)z -0.1816575E-16 Laplacian 0.6465356E+00 (-1/4)Del**2(Rho)) -0.1616339E+00 Diamond 0.1995621E+01 Metallicity 0.6982644E+01 Ellipticity 0.2824542E-02 Gb(Abramov) 0.2958612E+00 Vb(Abramov) -0.4300886E+00 Hb(Abramov) -0.1342274E+00 Ex_ueg -0.8345475E-01 Ec_ueg -0.1137708E-01 Delta_ex -0.7554329E-01 Delta_ec 0.1785329E-01 Delta_et -0.2533086E+00 Pxc 0.7335339E+01 Qxc -0.4231337E+01 3,-1 79 3 +1 0.122771 -0.131958 2.962262 Rho 0.5100258E-02 |GRAD(Rho)| 0.2658501E-14 GRAD(Rho)x 0.1627486E-14 GRAD(Rho)y -0.2012422E-14 GRAD(Rho)z -0.6075164E-15 Laplacian 0.2112201E-01 (-1/4)Del**2(Rho)) -0.5280502E-02 Diamond 0.4976253E-03 Metallicity 0.4930203E+00 Ellipticity -0.2593536E+01 Gb(Abramov) 0.3954234E-02 Vb(Abramov) -0.2627966E-02 Hb(Abramov) 0.1326268E-02 Ex_ueg -0.6483973E-03 Ec_ueg -0.1512298E-03 Delta_ex -0.1046727E-02 Delta_ec 0.6517716E-03 Delta_et -0.3566212E-02 Pxc 0.4287496E+01 Qxc -0.1605972E+01 3,+1 80 3 +1 2.020056 1.977911 -2.000654 Rho 0.1261739E-01 |GRAD(Rho)| 0.2371364E-16 GRAD(Rho)x 0.8428747E-17 GRAD(Rho)y -0.1561347E-16 GRAD(Rho)z -0.1573254E-16 Laplacian 0.5999981E-01 (-1/4)Del**2(Rho)) -0.1499995E-01 Diamond 0.2183669E-02 Metallicity 0.7853786E+00 Ellipticity -0.1174584E+01 Gb(Abramov) 0.1196341E-01 Vb(Abramov) -0.8926865E-02 Hb(Abramov) 0.3036544E-02 Ex_ueg -0.2169424E-02 Ec_ueg -0.4881443E-03 Delta_ex -0.2882715E-02 Delta_ec 0.5897112E-03 Delta_et -0.4617620E-02 Pxc 0.4444226E+01 Qxc -0.4888350E+01 3,+1 81 3 +3 1.102911 1.077849 1.069739 Rho 0.4492170E-02 |GRAD(Rho)| 0.2639638E-16 GRAD(Rho)x 0.2163077E-16 GRAD(Rho)y 0.1507722E-16 GRAD(Rho)z 0.1247419E-17 Laplacian 0.1839273E-01 (-1/4)Del**2(Rho)) -0.4598182E-02 Diamond 0.1238077E-03 Metallicity 0.4582059E+00 Ellipticity -0.2039548E+00 Gb(Abramov) 0.3416607E-02 Vb(Abramov) -0.2235032E-02 Hb(Abramov) 0.1181575E-02 Ex_ueg -0.5474275E-03 Ec_ueg -0.1251247E-03 Delta_ex -0.6306961E-03 Delta_ec 0.1056432E-03 Delta_et -0.7489890E-03 Pxc 0.4375056E+01 Qxc -0.5970059E+01 3,+3 82 3 +1 -0.578257 1.671486 -0.515487 Rho 0.8793666E-02 |GRAD(Rho)| 0.2235986E-12 GRAD(Rho)x -0.1652867E-12 GRAD(Rho)y 0.1482583E-12 GRAD(Rho)z -0.2638416E-13 Laplacian 0.3653520E-01 (-1/4)Del**2(Rho)) -0.9133801E-02 Diamond 0.1031191E-02 Metallicity 0.7066184E+00 Ellipticity -0.1409647E+01 Gb(Abramov) 0.7164886E-02 Vb(Abramov) -0.5195971E-02 Hb(Abramov) 0.1968915E-02 Ex_ueg -0.1340536E-02 Ec_ueg -0.3136536E-03 Delta_ex -0.1688719E-02 Delta_ec 0.5323272E-03 Delta_et -0.3644614E-02 Pxc 0.4273937E+01 Qxc -0.3172334E+01 3,+1 83 3 +1 0.542350 0.474810 1.676135 Rho 0.8246538E-02 |GRAD(Rho)| 0.3096541E-16 GRAD(Rho)x -0.1667510E-16 GRAD(Rho)y -0.8052165E-17 GRAD(Rho)z -0.2481855E-16 Laplacian 0.3449010E-01 (-1/4)Del**2(Rho)) -0.8622525E-02 Diamond 0.9384647E-03 Metallicity 0.6725194E+00 Ellipticity -0.1433021E+01 Gb(Abramov) 0.6714819E-02 Vb(Abramov) -0.4807114E-02 Hb(Abramov) 0.1907706E-02 Ex_ueg -0.1230497E-02 Ec_ueg -0.2891931E-03 Delta_ex -0.1590836E-02 Delta_ec 0.5421318E-03 Delta_et -0.3618895E-02 Pxc 0.4254933E+01 Qxc -0.2934408E+01 3,+1 84 3 +3 -1.158089 1.089506 -1.127355 Rho 0.5045379E-02 |GRAD(Rho)| 0.2126883E-17 GRAD(Rho)x 0.1277833E-17 GRAD(Rho)y -0.1417766E-17 GRAD(Rho)z 0.9384641E-18 Laplacian 0.2073885E-01 (-1/4)Del**2(Rho)) -0.5184713E-02 Diamond 0.1553111E-03 Metallicity 0.4931565E+00 Ellipticity -0.2752744E+00 Gb(Abramov) 0.3882621E-02 Vb(Abramov) -0.2580529E-02 Hb(Abramov) 0.1302092E-02 Ex_ueg -0.6391117E-03 Ec_ueg -0.1488662E-03 Delta_ex -0.7262774E-03 Delta_ec 0.1055763E-03 Delta_et -0.7960473E-03 Pxc 0.4293197E+01 Qxc -0.6879173E+01 3,+3 85 3 +1 -0.115480 2.961956 0.143591 Rho 0.5322988E-02 |GRAD(Rho)| 0.3568122E-17 GRAD(Rho)x -0.2758405E-17 GRAD(Rho)y -0.7081271E-18 GRAD(Rho)z -0.2149709E-17 Laplacian 0.2194329E-01 (-1/4)Del**2(Rho)) -0.5485822E-02 Diamond 0.5654560E-03 Metallicity 0.5096092E+00 Ellipticity -0.3444376E+01 Gb(Abramov) 0.4123152E-02 Vb(Abramov) -0.2760483E-02 Hb(Abramov) 0.1362670E-02 Ex_ueg -0.6864238E-03 Ec_ueg -0.1608387E-03 Delta_ex -0.1111837E-02 Delta_ec 0.7044043E-03 Delta_et -0.3892665E-02 Pxc 0.4267779E+01 Qxc -0.1578408E+01 3,+1 86 3 +1 1.299570 2.066977 -1.036588 Rho 0.2452761E-01 |GRAD(Rho)| 0.1810965E-16 GRAD(Rho)x 0.1320218E-16 GRAD(Rho)y 0.2754618E-17 GRAD(Rho)z 0.1208610E-16 Laplacian 0.9488262E-01 (-1/4)Del**2(Rho)) -0.2372065E-01 Diamond 0.1207679E-01 Metallicity 0.1503783E+01 Ellipticity -0.3732319E+01 Gb(Abramov) 0.2175889E-01 Vb(Abramov) -0.1979712E-01 Hb(Abramov) 0.1961765E-02 Ex_ueg -0.5263306E-02 Ec_ueg -0.1064959E-02 Delta_ex -0.5869966E-02 Delta_ec 0.1607862E-02 Delta_et -0.1412727E-01 Pxc 0.4942260E+01 Qxc -0.3650791E+01 3,+1 87 3 -1 1.686141 0.470145 -1.706622 Rho 0.3497257E-01 |GRAD(Rho)| 0.1177312E-14 GRAD(Rho)x 0.8177658E-15 GRAD(Rho)y -0.3526165E-15 GRAD(Rho)z -0.7700541E-15 Laplacian 0.1345493E+00 (-1/4)Del**2(Rho)) -0.3363732E-01 Diamond 0.4073686E-01 Metallicity 0.1915481E+01 Ellipticity 0.3293941E-01 Gb(Abramov) 0.3316348E-01 Vb(Abramov) -0.3268965E-01 Hb(Abramov) 0.4738347E-03 Ex_ueg -0.8446728E-02 Ec_ueg -0.1602837E-02 Delta_ex -0.1004938E-01 Delta_ec 0.3867962E-02 Delta_et -0.3705807E-01 Pxc 0.5269862E+01 Qxc -0.2598108E+01 3,-1 88 3 +1 2.085253 1.176868 -1.154367 Rho 0.2273432E-01 |GRAD(Rho)| 0.5579315E-15 GRAD(Rho)x 0.5320007E-15 GRAD(Rho)y 0.1444176E-15 GRAD(Rho)z -0.8606008E-16 Laplacian 0.8961279E-01 (-1/4)Del**2(Rho)) -0.2240320E-01 Diamond 0.1137038E-01 Metallicity 0.1402963E+01 Ellipticity -0.6192706E+01 Gb(Abramov) 0.2017394E-01 Vb(Abramov) -0.1794469E-01 Hb(Abramov) 0.2229255E-02 Ex_ueg -0.4756574E-02 Ec_ueg -0.9753313E-03 Delta_ex -0.5568128E-02 Delta_ec 0.1759737E-02 Delta_et -0.1510348E-01 Pxc 0.4876881E+01 Qxc -0.3164182E+01 3,+1 89 3 +1 1.762956 1.773467 1.756476 Rho 0.1232276E-01 |GRAD(Rho)| 0.1231452E-16 GRAD(Rho)x -0.8248077E-17 GRAD(Rho)y 0.8313371E-17 GRAD(Rho)z -0.3808481E-17 Laplacian 0.6180125E-01 (-1/4)Del**2(Rho)) -0.1545031E-01 Diamond 0.2552590E-02 Metallicity 0.7330431E+00 Ellipticity -0.1257605E+01 Gb(Abramov) 0.1218783E-01 Vb(Abramov) -0.8925352E-02 Hb(Abramov) 0.3262480E-02 Ex_ueg -0.2102145E-02 Ec_ueg -0.4744894E-03 Delta_ex -0.3054813E-02 Delta_ec 0.7944032E-03 Delta_et -0.6001335E-02 Pxc 0.4430330E+01 Qxc -0.3845419E+01 3,+1 90 3 -1 1.809838 2.798193 0.591054 Rho 0.1483717E+00 |GRAD(Rho)| 0.4482536E-15 GRAD(Rho)x -0.2355158E-15 GRAD(Rho)y 0.2297831E-16 GRAD(Rho)z 0.3807040E-15 Laplacian 0.6267006E+00 (-1/4)Del**2(Rho)) -0.1566752E+00 Diamond 0.1254025E+01 Metallicity 0.4572336E+01 Ellipticity 0.1282154E-01 Gb(Abramov) 0.2238453E+00 Vb(Abramov) -0.2910155E+00 Hb(Abramov) -0.6717018E-01 Ex_ueg -0.5801226E-01 Ec_ueg -0.8339360E-02 Delta_ex -0.6712717E-01 Delta_ec 0.1595399E-01 Delta_et -0.2120775E+00 Pxc 0.6956440E+01 Qxc -0.4207547E+01 3,-1 91 3 +1 0.525060 1.693616 0.524403 Rho 0.7811038E-02 |GRAD(Rho)| 0.1514549E-16 GRAD(Rho)x -0.9650461E-17 GRAD(Rho)y -0.1020151E-16 GRAD(Rho)z 0.5673068E-17 Laplacian 0.3231232E-01 (-1/4)Del**2(Rho)) -0.8078080E-02 Diamond 0.7999313E-03 Metallicity 0.6557822E+00 Ellipticity -0.1401870E+01 Gb(Abramov) 0.6268297E-02 Vb(Abramov) -0.4458513E-02 Hb(Abramov) 0.1809783E-02 Ex_ueg -0.1144625E-02 Ec_ueg -0.2698192E-03 Delta_ex -0.1462004E-02 Delta_ec 0.4925732E-03 Delta_et -0.3252549E-02 Pxc 0.4242194E+01 Qxc -0.2968096E+01 3,+1 92 3 -1 1.908064 -2.998626 0.808436 Rho 0.1350641E+00 |GRAD(Rho)| 0.3017461E-15 GRAD(Rho)x -0.1789882E-15 GRAD(Rho)y -0.2233321E-15 GRAD(Rho)z 0.9558597E-16 Laplacian 0.5301464E+00 (-1/4)Del**2(Rho)) -0.1325366E+00 Diamond 0.9597665E+00 Metallicity 0.4621511E+01 Ellipticity 0.2666742E-01 Gb(Abramov) 0.1904443E+00 Vb(Abramov) -0.2483520E+00 Hb(Abramov) -0.5790769E-01 Ex_ueg -0.5118056E-01 Ec_ueg -0.7494371E-02 Delta_ex -0.5563804E-01 Delta_ec 0.1405862E-01 Delta_et -0.1847767E+00 Pxc 0.6829200E+01 Qxc -0.3957575E+01 3,-1 93 3 +1 0.022548 -2.948002 0.097953 Rho 0.4467205E-02 |GRAD(Rho)| 0.9670934E-17 GRAD(Rho)x 0.3035766E-17 GRAD(Rho)y 0.8355133E-17 GRAD(Rho)z 0.3808260E-17 Laplacian 0.1825866E-01 (-1/4)Del**2(Rho)) -0.4564664E-02 Diamond 0.3383496E-03 Metallicity 0.4573032E+00 Ellipticity -0.1955127E+01 Gb(Abramov) 0.3391015E-02 Vb(Abramov) -0.2217366E-02 Hb(Abramov) 0.1173649E-02 Ex_ueg -0.5433749E-03 Ec_ueg -0.1240570E-03 Delta_ex -0.8586464E-03 Delta_ec 0.5217441E-03 Delta_et -0.2760871E-02 Pxc 0.4380042E+01 Qxc -0.1645723E+01 3,+1 94 3 +1 1.849992 -1.790704 -1.761151 Rho 0.1414390E-01 |GRAD(Rho)| 0.1204940E-16 GRAD(Rho)x -0.5105068E-17 GRAD(Rho)y -0.1076261E-16 GRAD(Rho)z -0.1814503E-17 Laplacian 0.6688802E-01 (-1/4)Del**2(Rho)) -0.1672200E-01 Diamond 0.3352390E-02 Metallicity 0.8522105E+00 Ellipticity -0.1378526E+01 Gb(Abramov) 0.1352311E-01 Vb(Abramov) -0.1032422E-01 Hb(Abramov) 0.3198890E-02 Ex_ueg -0.2526256E-02 Ec_ueg -0.5594219E-03 Delta_ex -0.3432971E-02 Delta_ec 0.8655194E-03 Delta_et -0.6755797E-02 Pxc 0.4515833E+01 Qxc -0.3966371E+01 3,+1 95 3 -1 2.734951 -1.825942 -0.612989 Rho 0.1393752E+00 |GRAD(Rho)| 0.2647097E-12 GRAD(Rho)x 0.8460241E-13 GRAD(Rho)y 0.1965719E-12 GRAD(Rho)z -0.1557984E-12 Laplacian 0.5780153E+00 (-1/4)Del**2(Rho)) -0.1445038E+00 Diamond 0.1079235E+01 Metallicity 0.4466660E+01 Ellipticity 0.1095178E-01 Gb(Abramov) 0.2039108E+00 Vb(Abramov) -0.2633178E+00 Hb(Abramov) -0.5940697E-01 Ex_ueg -0.5337022E-01 Ec_ueg -0.7766881E-02 Delta_ex -0.6104284E-01 Delta_ec 0.1506669E-01 Delta_et -0.1987147E+00 Pxc 0.6871512E+01 Qxc -0.4051510E+01 3,-1 96 3 -1 2.884785 -2.004788 0.790113 Rho 0.9952412E-01 |GRAD(Rho)| 0.6672577E-16 GRAD(Rho)x 0.4516380E-17 GRAD(Rho)y -0.5109980E-16 GRAD(Rho)z 0.4267013E-16 Laplacian 0.3982182E+00 (-1/4)Del**2(Rho)) -0.9955454E-01 Diamond 0.4929329E+00 Metallicity 0.3698617E+01 Ellipticity 0.3287925E-02 Gb(Abramov) 0.1277387E+00 Vb(Abramov) -0.1559229E+00 Hb(Abramov) -0.2818417E-01 Ex_ueg -0.3406352E-01 Ec_ueg -0.5296234E-02 Delta_ex -0.3877300E-01 Delta_ec 0.1113139E-01 Delta_et -0.1381621E+00 Pxc 0.6431649E+01 Qxc -0.3483211E+01 3,-1 97 3 +3 1.780428 -1.830798 1.835750 Rho 0.1163981E-01 |GRAD(Rho)| 0.1799732E-15 GRAD(Rho)x -0.1112469E-15 GRAD(Rho)y 0.8998132E-16 GRAD(Rho)z -0.1091689E-15 Laplacian 0.5308151E-01 (-1/4)Del**2(Rho)) -0.1327038E-01 Diamond 0.1070259E-02 Metallicity 0.7760919E+00 Ellipticity -0.5775194E+00 Gb(Abramov) 0.1056342E-01 Vb(Abramov) -0.7856470E-02 Hb(Abramov) 0.2706954E-02 Ex_ueg -0.1948257E-02 Ec_ueg -0.4429671E-03 Delta_ex -0.2296488E-02 Delta_ec 0.1679490E-03 Delta_et -0.1656769E-02 Pxc 0.4398199E+01 Qxc -0.1367373E+02 3,+3 98 3 +1 0.358518 -1.772717 -0.696922 Rho 0.7375231E-02 |GRAD(Rho)| 0.1410858E-16 GRAD(Rho)x -0.2519076E-17 GRAD(Rho)y -0.1222438E-16 GRAD(Rho)z -0.6578058E-17 Laplacian 0.3017689E-01 (-1/4)Del**2(Rho)) -0.7544222E-02 Diamond 0.8953567E-03 Metallicity 0.6381137E+00 Ellipticity -0.1802148E+01 Gb(Abramov) 0.5831827E-02 Vb(Abramov) -0.4119431E-02 Hb(Abramov) 0.1712395E-02 Ex_ueg -0.1060277E-02 Ec_ueg -0.2505184E-03 Delta_ex -0.1459209E-02 Delta_ec 0.6618019E-03 Delta_et -0.4146432E-02 Pxc 0.4232331E+01 Qxc -0.2204904E+01 3,+1 99 3 +1 1.974025 -2.020186 2.032483 Rho 0.1209807E-01 |GRAD(Rho)| 0.4367247E-14 GRAD(Rho)x -0.2511928E-14 GRAD(Rho)y 0.2407826E-14 GRAD(Rho)z -0.2639211E-14 Laplacian 0.5703556E-01 (-1/4)Del**2(Rho)) -0.1425889E-01 Diamond 0.1991557E-02 Metallicity 0.7703019E+00 Ellipticity -0.1188551E+01 Gb(Abramov) 0.1133654E-01 Vb(Abramov) -0.8414180E-02 Hb(Abramov) 0.2922355E-02 Ex_ueg -0.2051193E-02 Ec_ueg -0.4640982E-03 Delta_ex -0.2718239E-02 Delta_ec 0.5772450E-03 Delta_et -0.4461771E-02 Pxc 0.4419740E+01 Qxc -0.4708986E+01 3,+1 100 3 +3 0.929822 -1.141009 -1.262231 Rho 0.4229223E-02 |GRAD(Rho)| 0.1728167E-14 GRAD(Rho)x -0.1721341E-14 GRAD(Rho)y 0.4774923E-16 GRAD(Rho)z 0.1458298E-15 Laplacian 0.1739286E-01 (-1/4)Del**2(Rho)) -0.4348216E-02 Diamond 0.1361091E-03 Metallicity 0.4382039E+00 Ellipticity -0.4994940E+00 Gb(Abramov) 0.3216378E-02 Vb(Abramov) -0.2084541E-02 Hb(Abramov) 0.1131838E-02 Ex_ueg -0.5051253E-03 Ec_ueg -0.1138954E-03 Delta_ex -0.6196288E-03 Delta_ec 0.1584907E-03 Delta_et -0.9781783E-03 Pxc 0.4434993E+01 Qxc -0.3909560E+01 3,+3 101 3 +1 2.063608 -1.162538 1.204086 Rho 0.2389328E-01 |GRAD(Rho)| 0.4565361E-16 GRAD(Rho)x 0.4503351E-16 GRAD(Rho)y 0.1061120E-17 GRAD(Rho)z 0.7423584E-17 Laplacian 0.9727059E-01 (-1/4)Del**2(Rho)) -0.2431765E-01 Diamond 0.1393113E-01 Metallicity 0.1404185E+01 Ellipticity -0.1415631E+02 Gb(Abramov) 0.2190285E-01 Vb(Abramov) -0.1948804E-01 Hb(Abramov) 0.2414802E-02 Ex_ueg -0.5082601E-02 Ec_ueg -0.1033155E-02 Delta_ex -0.6205261E-02 Delta_ec 0.2057990E-02 Delta_et -0.1785829E-01 Pxc 0.4919494E+01 Qxc -0.3015204E+01 3,+1 102 3 +1 0.434008 -0.807339 -1.778853 Rho 0.5399696E-02 |GRAD(Rho)| 0.7923359E-17 GRAD(Rho)x 0.5403518E-17 GRAD(Rho)y 0.2762081E-17 GRAD(Rho)z -0.5094362E-17 Laplacian 0.2228817E-01 (-1/4)Del**2(Rho)) -0.5572043E-02 Diamond 0.4878510E-03 Metallicity 0.5138317E+00 Ellipticity -0.1815044E+01 Gb(Abramov) 0.4191878E-02 Vb(Abramov) -0.2811712E-02 Hb(Abramov) 0.1380166E-02 Ex_ueg -0.6996446E-03 Ec_ueg -0.1641537E-03 Delta_ex -0.1050608E-02 Delta_ec 0.5693627E-03 Delta_et -0.3217369E-02 Pxc 0.4262131E+01 Qxc -0.1845236E+01 3,+1 103 3 -1 2.952398 -0.859878 1.979510 Rho 0.1622058E+00 |GRAD(Rho)| 0.4213626E-12 GRAD(Rho)x -0.1187763E-12 GRAD(Rho)y 0.3022920E-12 GRAD(Rho)z 0.2684365E-12 Laplacian 0.6369527E+00 (-1/4)Del**2(Rho)) -0.1592382E+00 Diamond 0.1401525E+01 Metallicity 0.5219352E+01 Ellipticity 0.6290613E-01 Gb(Abramov) 0.2446788E+00 Vb(Abramov) -0.3301194E+00 Hb(Abramov) -0.8544061E-01 Ex_ueg -0.6533414E-01 Ec_ueg -0.9229384E-02 Delta_ex -0.6959046E-01 Delta_ec 0.1558325E-01 Delta_et -0.2089219E+00 Pxc 0.7078927E+01 Qxc -0.4465722E+01 3,-1 104 3 -1 2.817705 -0.573602 -1.803000 Rho 0.1422624E+00 |GRAD(Rho)| 0.1713604E-12 GRAD(Rho)x -0.1122854E-12 GRAD(Rho)y -0.4978197E-13 GRAD(Rho)z -0.1194912E-12 Laplacian 0.5875449E+00 (-1/4)Del**2(Rho)) -0.1468862E+00 Diamond 0.1120894E+01 Metallicity 0.4546973E+01 Ellipticity 0.1612982E-01 Gb(Abramov) 0.2092388E+00 Vb(Abramov) -0.2715913E+00 Hb(Abramov) -0.6235253E-01 Ex_ueg -0.5484940E-01 Ec_ueg -0.7950051E-02 Delta_ex -0.6232221E-01 Delta_ec 0.1517236E-01 Delta_et -0.2005912E+00 Pxc 0.6899252E+01 Qxc -0.4107614E+01 3,-1 105 3 +1 -2.130853 1.210601 1.197882 Rho 0.2529853E-01 |GRAD(Rho)| 0.4034050E-16 GRAD(Rho)x -0.2906063E-16 GRAD(Rho)y 0.2509686E-16 GRAD(Rho)z -0.1236865E-16 Laplacian 0.9988968E-01 (-1/4)Del**2(Rho)) -0.2497242E-01 Diamond 0.1409472E-01 Metallicity 0.1504012E+01 Ellipticity -0.5462776E+01 Gb(Abramov) 0.2290808E-01 Vb(Abramov) -0.2084375E-01 Hb(Abramov) 0.2064337E-02 Ex_ueg -0.5485027E-02 Ec_ueg -0.1103756E-02 Delta_ex -0.6319456E-02 Delta_ec 0.1850603E-02 Delta_et -0.1634831E-01 Pxc 0.4969418E+01 Qxc -0.3414809E+01 3,+1 106 3 -1 -1.773722 -1.669161 -0.477815 Rho 0.4863218E-01 |GRAD(Rho)| 0.7559184E-16 GRAD(Rho)x -0.4825335E-16 GRAD(Rho)y -0.5216579E-16 GRAD(Rho)z 0.2577733E-16 Laplacian 0.1933483E+00 (-1/4)Del**2(Rho)) -0.4833708E-01 Diamond 0.9463277E-01 Metallicity 0.2309293E+01 Ellipticity 0.1486741E-01 Gb(Abramov) 0.5082880E-01 Vb(Abramov) -0.5332052E-01 Hb(Abramov) -0.2491720E-02 Ex_ueg -0.1311042E-01 Ec_ueg -0.2339407E-02 Delta_ex -0.1581534E-01 Delta_ec 0.5781871E-02 Delta_et -0.6053289E-01 Pxc 0.5604166E+01 Qxc -0.2735333E+01 3,-1 107 3 -1 -2.102785 -0.906408 -3.219682 Rho 0.2251060E+00 |GRAD(Rho)| 0.2907924E-15 GRAD(Rho)x 0.1578869E-15 GRAD(Rho)y 0.1186659E-15 GRAD(Rho)z 0.2134252E-15 Laplacian 0.8568655E+00 (-1/4)Del**2(Rho)) -0.2142164E+00 Diamond 0.2776608E+01 Metallicity 0.6699035E+01 Ellipticity 0.2048442E-01 Gb(Abramov) 0.3819847E+00 Vb(Abramov) -0.5497531E+00 Hb(Abramov) -0.1677684E+00 Ex_ueg -0.1011349E+00 Ec_ueg -0.1341561E-01 Delta_ex -0.1016468E+00 Delta_ec 0.1898597E-01 Delta_et -0.2610515E+00 Pxc 0.7538599E+01 Qxc -0.5353785E+01 3,-1 108 3 +1 -1.786435 -1.730282 1.827763 Rho 0.1245737E-01 |GRAD(Rho)| 0.1538848E-16 GRAD(Rho)x -0.1296884E-16 GRAD(Rho)y 0.5304253E-17 GRAD(Rho)z -0.6362329E-17 Laplacian 0.6264734E-01 (-1/4)Del**2(Rho)) -0.1566184E-01 Diamond 0.2618498E-02 Metallicity 0.7363562E+00 Ellipticity -0.1251728E+01 Gb(Abramov) 0.1236334E-01 Vb(Abramov) -0.9064842E-02 Hb(Abramov) 0.3298497E-02 Ex_ueg -0.2132817E-02 Ec_ueg -0.4807239E-03 Delta_ex -0.3103384E-02 Delta_ec 0.8013987E-03 Delta_et -0.6073139E-02 Pxc 0.4436679E+01 Qxc -0.3872459E+01 3,+1 109 3 -1 -1.739008 -0.565614 -1.750784 Rho 0.4108099E-01 |GRAD(Rho)| 0.1001427E-15 GRAD(Rho)x 0.5285295E-16 GRAD(Rho)y 0.1301376E-16 GRAD(Rho)z 0.8405807E-16 Laplacian 0.1686282E+00 (-1/4)Del**2(Rho)) -0.4215704E-01 Diamond 0.6891132E-01 Metallicity 0.1998716E+01 Ellipticity 0.1992225E-01 Gb(Abramov) 0.4214802E-01 Vb(Abramov) -0.4213900E-01 Hb(Abramov) 0.9019351E-05 Ex_ueg -0.1046902E-01 Ec_ueg -0.1928146E-02 Delta_ex -0.1340914E-01 Delta_ec 0.5378225E-02 Delta_et -0.5388136E-01 Pxc 0.5429582E+01 Qxc -0.2493227E+01 3,-1 110 3 +1 -1.282366 2.105457 1.106507 Rho 0.2575241E-01 |GRAD(Rho)| 0.7470239E-16 GRAD(Rho)x 0.5126686E-16 GRAD(Rho)y -0.5432397E-16 GRAD(Rho)z -0.1030920E-17 Laplacian 0.1024978E+00 (-1/4)Del**2(Rho)) -0.2562446E-01 Diamond 0.1461356E-01 Metallicity 0.1509830E+01 Ellipticity -0.4791972E+01 Gb(Abramov) 0.2353107E-01 Vb(Abramov) -0.2143768E-01 Hb(Abramov) 0.2093388E-02 Ex_ueg -0.5616625E-02 Ec_ueg -0.1126671E-02 Delta_ex -0.6493338E-02 Delta_ec 0.1860345E-02 Delta_et -0.1651537E-01 Pxc 0.4985152E+01 Qxc -0.3490395E+01 3,+1 111 3 -1 -1.815727 -0.555958 2.839190 Rho 0.1501046E+00 |GRAD(Rho)| 0.5449668E-15 GRAD(Rho)x -0.5202544E-15 GRAD(Rho)y 0.1588627E-15 GRAD(Rho)z -0.3296652E-16 Laplacian 0.6295913E+00 (-1/4)Del**2(Rho)) -0.1573978E+00 Diamond 0.1274752E+01 Metallicity 0.4640282E+01 Ellipticity 0.1739231E-01 Gb(Abramov) 0.2266603E+00 Vb(Abramov) -0.2959227E+00 Hb(Abramov) -0.6926245E-01 Ex_ueg -0.5891742E-01 Ec_ueg -0.8450210E-02 Delta_ex -0.6760203E-01 Delta_ec 0.1593263E-01 Delta_et -0.2120257E+00 Pxc 0.6972302E+01 Qxc -0.4242994E+01 3,-1 112 3 -1 -0.622894 -2.770425 1.866607 Rho 0.1469273E+00 |GRAD(Rho)| 0.3189715E-13 GRAD(Rho)x -0.3092841E-13 GRAD(Rho)y 0.7604892E-14 GRAD(Rho)z 0.1739914E-14 Laplacian 0.6214691E+00 (-1/4)Del**2(Rho)) -0.1553673E+00 Diamond 0.1209112E+01 Metallicity 0.4536259E+01 Ellipticity 0.3443969E-01 Gb(Abramov) 0.2210426E+00 Vb(Abramov) -0.2867178E+00 Hb(Abramov) -0.6567528E-01 Ex_ueg -0.5726050E-01 Ec_ueg -0.8247109E-02 Delta_ex -0.6620333E-01 Delta_ec 0.1549496E-01 Delta_et -0.2048752E+00 Pxc 0.6943099E+01 Qxc -0.4272573E+01 3,-1 113 3 +1 -0.226268 -2.246197 -1.067311 Rho 0.7468102E-02 |GRAD(Rho)| 0.8170251E-17 GRAD(Rho)x 0.3925151E-17 GRAD(Rho)y 0.5515879E-17 GRAD(Rho)z 0.4573978E-17 Laplacian 0.3011625E-01 (-1/4)Del**2(Rho)) -0.7529061E-02 Diamond 0.9404183E-03 Metallicity 0.6528741E+00 Ellipticity -0.1920833E+01 Gb(Abramov) 0.5838629E-02 Vb(Abramov) -0.4148197E-02 Hb(Abramov) 0.1690432E-02 Ex_ueg -0.1078116E-02 Ec_ueg -0.2546241E-03 Delta_ex -0.1477608E-02 Delta_ec 0.6911606E-03 Delta_et -0.4329148E-02 Pxc 0.4234147E+01 Qxc -0.2137865E+01 3,+1 114 3 -1 0.088382 -1.969642 -1.015806 Rho 0.7938169E-02 |GRAD(Rho)| 0.6209480E-17 GRAD(Rho)x -0.4948366E-17 GRAD(Rho)y -0.3593114E-17 GRAD(Rho)z -0.1077426E-17 Laplacian 0.3118026E-01 (-1/4)Del**2(Rho)) -0.7795066E-02 Diamond 0.1568899E-02 Metallicity 0.6981262E+00 Ellipticity 0.6339116E+00 Gb(Abramov) 0.6103700E-02 Vb(Abramov) -0.4412335E-02 Hb(Abramov) 0.1691365E-02 Ex_ueg -0.1169532E-02 Ec_ueg -0.2754659E-03 Delta_ex -0.1807417E-02 Delta_ec 0.1173386E-02 Delta_et -0.7245395E-02 Pxc 0.4245651E+01 Qxc -0.1540342E+01 3,-1 115 3 -1 0.009817 -3.267566 -1.253233 Rho 0.3887660E-01 |GRAD(Rho)| 0.6587868E-16 GRAD(Rho)x 0.5494916E-16 GRAD(Rho)y 0.3407912E-16 GRAD(Rho)z 0.1261761E-16 Laplacian 0.1141446E+00 (-1/4)Del**2(Rho)) -0.2853615E-01 Diamond 0.6557646E-01 Metallicity 0.2693425E+01 Ellipticity 0.2292775E-02 Gb(Abramov) 0.3183410E-01 Vb(Abramov) -0.3513204E-01 Hb(Abramov) -0.3297945E-02 Ex_ueg -0.9726786E-02 Ec_ueg -0.1809934E-02 Delta_ex -0.1029943E-01 Delta_ec 0.6041547E-02 Delta_et -0.5983518E-01 Pxc 0.5374110E+01 Qxc -0.1704766E+01 3,-1 116 3 -1 -0.082929 -3.196744 3.216484 Rho 0.2344686E+00 |GRAD(Rho)| 0.1084656E-14 GRAD(Rho)x 0.1630505E-15 GRAD(Rho)y 0.8164584E-15 GRAD(Rho)z -0.6951904E-15 Laplacian 0.8376995E+00 (-1/4)Del**2(Rho)) -0.2094249E+00 Diamond 0.2897047E+01 Metallicity 0.7333864E+01 Ellipticity 0.2339427E-02 Gb(Abramov) 0.3955989E+00 Vb(Abramov) -0.5817728E+00 Hb(Abramov) -0.1861740E+00 Ex_ueg -0.1067820E+00 Ec_ueg -0.1405758E-01 Delta_ex -0.1006871E+00 Delta_ec 0.1879323E-01 Delta_et -0.2607798E+00 Pxc 0.7596042E+01 Qxc -0.5357625E+01 3,-1 117 3 -1 0.443898 -1.722648 1.678583 Rho 0.3681877E-01 |GRAD(Rho)| 0.1308580E-12 GRAD(Rho)x 0.3389971E-13 GRAD(Rho)y -0.2547320E-13 GRAD(Rho)z 0.1237972E-12 Laplacian 0.1505827E+00 (-1/4)Del**2(Rho)) -0.3764568E-01 Diamond 0.5152730E-01 Metallicity 0.1864748E+01 Ellipticity 0.1262461E-01 Gb(Abramov) 0.3679707E-01 Vb(Abramov) -0.3594847E-01 Hb(Abramov) 0.8486067E-03 Ex_ueg -0.9046436E-02 Ec_ueg -0.1700401E-02 Delta_ex -0.1156164E-01 Delta_ec 0.4631976E-02 Delta_et -0.4501994E-01 Pxc 0.5320176E+01 Qxc -0.2496050E+01 3,-1 118 3 -1 0.808360 -2.976999 2.003515 Rho 0.1355729E+00 |GRAD(Rho)| 0.4342685E-15 GRAD(Rho)x -0.3671109E-15 GRAD(Rho)y 0.1813193E-15 GRAD(Rho)z 0.1447139E-15 Laplacian 0.5346394E+00 (-1/4)Del**2(Rho)) -0.1336598E+00 Diamond 0.9500984E+00 Metallicity 0.4611481E+01 Ellipticity 0.5548072E-01 Gb(Abramov) 0.1918349E+00 Vb(Abramov) -0.2500099E+00 Hb(Abramov) -0.5817502E-01 Ex_ueg -0.5143779E-01 Ec_ueg -0.7526470E-02 Delta_ex -0.5590765E-01 Delta_ec 0.1371351E-01 Delta_et -0.1794692E+00 Pxc 0.6834251E+01 Qxc -0.4076829E+01 3,-1 119 3 -1 1.135135 -2.301566 -2.034135 Rho 0.4558620E-01 |GRAD(Rho)| 0.4965661E-16 GRAD(Rho)x -0.2797751E-17 GRAD(Rho)y -0.2905796E-16 GRAD(Rho)z 0.4016947E-16 Laplacian 0.1247218E+00 (-1/4)Del**2(Rho)) -0.3118046E-01 Diamond 0.8606887E-01 Metallicity 0.3214102E+01 Ellipticity 0.1612891E-01 Gb(Abramov) 0.3748983E-01 Vb(Abramov) -0.4379921E-01 Hb(Abramov) -0.6309376E-02 Ex_ueg -0.1202715E-01 Ec_ueg -0.2172388E-02 Delta_ex -0.1150843E-01 Delta_ec 0.6356896E-02 Delta_et -0.6597464E-01 Pxc 0.5536375E+01 Qxc -0.1810386E+01 3,-1 120 3 +1 0.300033 -1.488759 -1.688693 Rho 0.5513587E-02 |GRAD(Rho)| 0.6150378E-17 GRAD(Rho)x 0.3382520E-17 GRAD(Rho)y 0.4801195E-17 GRAD(Rho)z -0.1825991E-17 Laplacian 0.2212437E-01 (-1/4)Del**2(Rho)) -0.5531091E-02 Diamond 0.5400616E-03 Metallicity 0.5359604E+00 Ellipticity -0.2321386E+01 Gb(Abramov) 0.4181469E-02 Vb(Abramov) -0.2831846E-02 Hb(Abramov) 0.1349623E-02 Ex_ueg -0.7193894E-03 Ec_ueg -0.1690811E-03 Delta_ex -0.1081673E-02 Delta_ec 0.6262767E-03 Delta_et -0.3530579E-02 Pxc 0.4254701E+01 Qxc -0.1727149E+01 3,+1 121 3 +1 1.008906 -2.138967 1.299348 Rho 0.2512648E-01 |GRAD(Rho)| 0.5116506E-12 GRAD(Rho)x -0.3669974E-12 GRAD(Rho)y 0.1401202E-12 GRAD(Rho)z 0.3278195E-12 Laplacian 0.1007807E+00 (-1/4)Del**2(Rho)) -0.2519517E-01 Diamond 0.1395093E-01 Metallicity 0.1473857E+01 Ellipticity -0.4478801E+01 Gb(Abramov) 0.2298579E-01 Vb(Abramov) -0.2077642E-01 Hb(Abramov) 0.2209378E-02 Ex_ueg -0.5435347E-02 Ec_ueg -0.1095084E-02 Delta_ex -0.6349614E-02 Delta_ec 0.1840767E-02 Delta_et -0.1623903E-01 Pxc 0.4963405E+01 Qxc -0.3449440E+01 3,+1 122 3 -1 0.798410 -1.977837 2.992733 Rho 0.1304419E+00 |GRAD(Rho)| 0.2034155E-15 GRAD(Rho)x -0.9044957E-16 GRAD(Rho)y 0.7024952E-16 GRAD(Rho)z -0.1681123E-15 Laplacian 0.5171169E+00 (-1/4)Del**2(Rho)) -0.1292792E+00 Diamond 0.8789817E+00 Metallicity 0.4470810E+01 Ellipticity 0.4479216E-01 Gb(Abramov) 0.1825166E+00 Vb(Abramov) -0.2357541E+00 Hb(Abramov) -0.5323741E-01 Ex_ueg -0.4885862E-01 Ec_ueg -0.7203532E-02 Delta_ex -0.5359139E-01 Delta_ec 0.1342369E-01 Delta_et -0.1746906E+00 Pxc 0.6782592E+01 Qxc -0.3992299E+01 3,-1 123 3 -1 0.249076 -1.172230 -1.868649 Rho 0.5677717E-02 |GRAD(Rho)| 0.1219156E-16 GRAD(Rho)x 0.3603781E-17 GRAD(Rho)y 0.1158339E-16 GRAD(Rho)z 0.1213322E-17 Laplacian 0.2292887E-01 (-1/4)Del**2(Rho)) -0.5732218E-02 Diamond 0.7660225E-03 Metallicity 0.5430670E+00 Ellipticity 0.8662658E+00 Gb(Abramov) 0.4340308E-02 Vb(Abramov) -0.2948399E-02 Hb(Abramov) 0.1391910E-02 Ex_ueg -0.7480834E-03 Ec_ueg -0.1761933E-03 Delta_ex -0.1271756E-02 Delta_ec 0.9062275E-03 Delta_et -0.5039545E-02 Pxc 0.4245811E+01 Qxc -0.1403352E+01 3,-1 124 3 -1 1.963177 -0.847763 2.981795 Rho 0.1349940E+00 |GRAD(Rho)| 0.5846744E-13 GRAD(Rho)x -0.4604668E-13 GRAD(Rho)y -0.2271351E-13 GRAD(Rho)z -0.2796857E-13 Laplacian 0.5294271E+00 (-1/4)Del**2(Rho)) -0.1323568E+00 Diamond 0.9412214E+00 Metallicity 0.4623784E+01 Ellipticity 0.4130470E-01 Gb(Abramov) 0.1902360E+00 Vb(Abramov) -0.2481153E+00 Hb(Abramov) -0.5787927E-01 Ex_ueg -0.5114512E-01 Ec_ueg -0.7489947E-02 Delta_ex -0.5536476E-01 Delta_ec 0.1370059E-01 Delta_et -0.1793961E+00 Pxc 0.6828502E+01 Qxc -0.4041049E+01 3,-1 125 3 -1 1.930137 -0.620346 -2.833817 Rho 0.1562180E+00 |GRAD(Rho)| 0.9194968E-15 GRAD(Rho)x 0.6808248E-15 GRAD(Rho)y 0.6137940E-15 GRAD(Rho)z 0.7217398E-16 Laplacian 0.5980816E+00 (-1/4)Del**2(Rho)) -0.1495204E+00 Diamond 0.1295896E+01 Metallicity 0.5220808E+01 Ellipticity 0.1136114E+00 Gb(Abramov) 0.2297831E+00 Vb(Abramov) -0.3100459E+00 Hb(Abramov) -0.8026275E-01 Ex_ueg -0.6213835E-01 Ec_ueg -0.8842735E-02 Delta_ex -0.6509435E-01 Delta_ec 0.1541388E-01 Delta_et -0.2072821E+00 Pxc 0.7027051E+01 Qxc -0.4223099E+01 3,-1 126 3 -1 1.672200 -0.538444 1.665923 Rho 0.3244039E-01 |GRAD(Rho)| 0.7358851E-16 GRAD(Rho)x -0.5982763E-16 GRAD(Rho)y -0.2119303E-16 GRAD(Rho)z -0.3723949E-16 Laplacian 0.1322793E+00 (-1/4)Del**2(Rho)) -0.3306981E-01 Diamond 0.3778513E-01 Metallicity 0.1718956E+01 Ellipticity 0.4817634E-01 Gb(Abramov) 0.3152080E-01 Vb(Abramov) -0.2997179E-01 Hb(Abramov) 0.1549010E-02 Ex_ueg -0.7641286E-02 Ec_ueg -0.1470159E-02 Delta_ex -0.9823460E-02 Delta_ec 0.4027426E-02 Delta_et -0.3780028E-01 Pxc 0.5197592E+01 Qxc -0.2439141E+01 3,-1 127 3 +1 1.228356 -1.116385 2.099343 Rho 0.2213901E-01 |GRAD(Rho)| 0.2805125E-16 GRAD(Rho)x 0.1173857E-16 GRAD(Rho)y -0.4802748E-17 GRAD(Rho)z 0.2502024E-16 Laplacian 0.8672201E-01 (-1/4)Del**2(Rho)) -0.2168050E-01 Diamond 0.1054923E-01 Metallicity 0.1387013E+01 Ellipticity -0.5613333E+01 Gb(Abramov) 0.1946553E-01 Vb(Abramov) -0.1725055E-01 Hb(Abramov) 0.2214976E-02 Ex_ueg -0.4591232E-02 Ec_ueg -0.9457753E-03 Delta_ex -0.5343824E-02 Delta_ec 0.1689022E-02 Delta_et -0.1440075E-01 Pxc 0.4854464E+01 Qxc -0.3163857E+01 3,+1 128 3 +3 2.307164 0.005354 0.026547 Rho 0.4109687E-02 |GRAD(Rho)| 0.3097690E-15 GRAD(Rho)x -0.1493936E-15 GRAD(Rho)y -0.1866138E-15 GRAD(Rho)z 0.1970118E-15 Laplacian 0.1700401E-01 (-1/4)Del**2(Rho)) -0.4251002E-02 Diamond 0.1286906E-03 Metallicity 0.4273101E+00 Ellipticity -0.3231671E+00 Gb(Abramov) 0.3136751E-02 Vb(Abramov) -0.2022499E-02 Hb(Abramov) 0.1114251E-02 Ex_ueg -0.4861796E-03 Ec_ueg -0.1088025E-03 Delta_ex -0.6022252E-03 Delta_ec 0.1564500E-03 Delta_et -0.9567937E-03 Pxc 0.4468459E+01 Qxc -0.3849314E+01 3,+3 129 3 +1 1.674075 0.515514 0.544791 Rho 0.7371641E-02 |GRAD(Rho)| 0.1254965E-16 GRAD(Rho)x 0.1578410E-17 GRAD(Rho)y -0.5079905E-18 GRAD(Rho)z 0.1243962E-16 Laplacian 0.2998198E-01 (-1/4)Del**2(Rho)) -0.7495495E-02 Diamond 0.7047173E-03 Metallicity 0.6417410E+00 Ellipticity -0.1425387E+01 Gb(Abramov) 0.5798691E-02 Vb(Abramov) -0.4101887E-02 Hb(Abramov) 0.1696804E-02 Ex_ueg -0.1059589E-02 Ec_ueg -0.2503598E-03 Delta_ex -0.1347654E-02 Delta_ec 0.4754678E-03 Delta_et -0.3077530E-02 Pxc 0.4232264E+01 Qxc -0.2834375E+01 3,+1 130 3 -1 3.287727 -0.015132 -3.186448 Rho 0.2456417E+00 |GRAD(Rho)| 0.7232879E-15 GRAD(Rho)x 0.4362830E-15 GRAD(Rho)y -0.1161045E-15 GRAD(Rho)z -0.5650862E-15 Laplacian 0.8821011E+00 (-1/4)Del**2(Rho)) -0.2205253E+00 Diamond 0.3210713E+01 Metallicity 0.7526593E+01 Ellipticity 0.2438941E-02 Gb(Abramov) 0.4236508E+00 Vb(Abramov) -0.6267764E+00 Hb(Abramov) -0.2031256E+00 Ex_ueg -0.1136200E+00 Ec_ueg -0.1482998E-01 Delta_ex -0.1072382E+00 Delta_ec 0.1937471E-01 Delta_et -0.2686702E+00 Pxc 0.7661503E+01 Qxc -0.5534955E+01 3,-1 131 3 -1 2.789108 0.560534 1.819172 Rho 0.1247184E+00 |GRAD(Rho)| 0.6220798E-16 GRAD(Rho)x 0.1951225E-16 GRAD(Rho)y 0.1903452E-16 GRAD(Rho)z -0.5591773E-16 Laplacian 0.5236364E+00 (-1/4)Del**2(Rho)) -0.1309091E+00 Diamond 0.8448490E+00 Metallicity 0.4097017E+01 Ellipticity 0.1322418E-01 Gb(Abramov) 0.1766622E+00 Vb(Abramov) -0.2224153E+00 Hb(Abramov) -0.4575311E-01 Ex_ueg -0.4602134E-01 Ec_ueg -0.6845364E-02 Delta_ex -0.5370247E-01 Delta_ec 0.1377366E-01 Delta_et -0.1780004E+00 Pxc 0.6722994E+01 Qxc -0.3898925E+01 3,-1 132 3 -1 3.191968 0.018858 3.188976 Rho 0.2338466E+00 |GRAD(Rho)| 0.4173843E-13 GRAD(Rho)x -0.2845245E-13 GRAD(Rho)y -0.7893547E-14 GRAD(Rho)z -0.2949995E-13 Laplacian 0.8291541E+00 (-1/4)Del**2(Rho)) -0.2072885E+00 Diamond 0.2864349E+01 Metallicity 0.7376712E+01 Ellipticity 0.4553650E-02 Gb(Abramov) 0.3930437E+00 Vb(Abramov) -0.5787988E+00 Hb(Abramov) -0.1857551E+00 Ex_ueg -0.1064044E+00 Ec_ueg -0.1401478E-01 Delta_ex -0.9962425E-01 Delta_ec 0.1867505E-01 Delta_et -0.2593597E+00 Pxc 0.7592301E+01 Qxc -0.5334618E+01 3,-1 133 3 +3 1.826483 1.781513 -1.803207 Rho 0.1212990E-01 |GRAD(Rho)| 0.2470815E-16 GRAD(Rho)x -0.1231600E-16 GRAD(Rho)y -0.2057723E-16 GRAD(Rho)z 0.5948654E-17 Laplacian 0.5545778E-01 (-1/4)Del**2(Rho)) -0.1386445E-01 Diamond 0.1163058E-02 Metallicity 0.7956942E+00 Ellipticity -0.6119667E+00 Gb(Abramov) 0.1108161E-01 Vb(Abramov) -0.8298768E-02 Hb(Abramov) 0.2782839E-02 Ex_ueg -0.2058392E-02 Ec_ueg -0.4655691E-03 Delta_ex -0.2422628E-02 Delta_ec 0.1643591E-03 Delta_et -0.1660077E-02 Pxc 0.4421239E+01 Qxc -0.1473985E+02 3,+3 134 3 -1 3.004389 0.835839 -1.958222 Rho 0.1385257E+00 |GRAD(Rho)| 0.2815257E-15 GRAD(Rho)x -0.2669170E-16 GRAD(Rho)y -0.2675811E-15 GRAD(Rho)z -0.8333449E-16 Laplacian 0.5663808E+00 (-1/4)Del**2(Rho)) -0.1415952E+00 Diamond 0.1044416E+01 Metallicity 0.4512202E+01 Ellipticity 0.2531208E-01 Gb(Abramov) 0.2008811E+00 Vb(Abramov) -0.2601671E+00 Hb(Abramov) -0.5928594E-01 Ex_ueg -0.5293693E-01 Ec_ueg -0.7713088E-02 Delta_ex -0.5966606E-01 Delta_ec 0.1467934E-01 Delta_et -0.1932086E+00 Pxc 0.6863260E+01 Qxc -0.4064628E+01 3,-1 135 3 +1 -2.001283 2.008185 2.043302 Rho 0.1269313E-01 |GRAD(Rho)| 0.1511763E-16 GRAD(Rho)x -0.4082353E-17 GRAD(Rho)y -0.1225224E-16 GRAD(Rho)z 0.7858736E-17 Laplacian 0.5973261E-01 (-1/4)Del**2(Rho)) -0.1493315E-01 Diamond 0.2131890E-02 Metallicity 0.7968004E+00 Ellipticity -0.1166647E+01 Gb(Abramov) 0.1193856E-01 Vb(Abramov) -0.8943965E-02 Hb(Abramov) 0.2994594E-02 Ex_ueg -0.2186805E-02 Ec_ueg -0.4916601E-03 Delta_ex -0.2858489E-02 Delta_ec 0.5583241E-03 Delta_et -0.4405845E-02 Pxc 0.4447798E+01 Qxc -0.5119766E+01 3,+1 136 3 -1 -2.808900 -1.775835 0.596469 Rho 0.1383709E+00 |GRAD(Rho)| 0.5158597E-15 GRAD(Rho)x 0.8356149E-16 GRAD(Rho)y -0.4096929E-15 GRAD(Rho)z -0.3021265E-15 Laplacian 0.5824149E+00 (-1/4)Del**2(Rho)) -0.1456037E+00 Diamond 0.1074778E+01 Metallicity 0.4379808E+01 Ellipticity 0.1082524E-01 Gb(Abramov) 0.2033552E+00 Vb(Abramov) -0.2611067E+00 Hb(Abramov) -0.5775148E-01 Ex_ueg -0.5285806E-01 Ec_ueg -0.7703289E-02 Delta_ex -0.6136334E-01 Delta_ec 0.1514331E-01 Delta_et -0.1993719E+00 Pxc 0.6861752E+01 Qxc -0.4052173E+01 3,-1 137 3 -1 -2.010380 -3.072017 -0.716174 Rho 0.1535461E+00 |GRAD(Rho)| 0.1231823E-15 GRAD(Rho)x 0.4138942E-16 GRAD(Rho)y -0.9500322E-16 GRAD(Rho)z 0.6659712E-16 Laplacian 0.5776760E+00 (-1/4)Del**2(Rho)) -0.1444190E+00 Diamond 0.1232631E+01 Metallicity 0.5252027E+01 Ellipticity 0.1163800E+00 Gb(Abramov) 0.2226947E+00 Vb(Abramov) -0.3009705E+00 Hb(Abramov) -0.7827575E-01 Ex_ueg -0.6072538E-01 Ec_ueg -0.8670902E-02 Delta_ex -0.6267152E-01 Delta_ec 0.1506581E-01 Delta_et -0.2023778E+00 Pxc 0.7003351E+01 Qxc -0.4159850E+01 3,-1 138 3 -1 -1.867521 -2.750320 0.615969 Rho 0.1255814E+00 |GRAD(Rho)| 0.1743821E-15 GRAD(Rho)x -0.1735401E-15 GRAD(Rho)y 0.1675770E-16 GRAD(Rho)z -0.3482999E-17 Laplacian 0.5223100E+00 (-1/4)Del**2(Rho)) -0.1305775E+00 Diamond 0.8633900E+00 Metallicity 0.4154898E+01 Ellipticity 0.2268276E-01 Gb(Abramov) 0.1774744E+00 Vb(Abramov) -0.2243712E+00 Hb(Abramov) -0.4689687E-01 Ex_ueg -0.4644641E-01 Ec_ueg -0.6899226E-02 Delta_ex -0.5382782E-01 Delta_ec 0.1402438E-01 Delta_et -0.1819975E+00 Pxc 0.6732119E+01 Qxc -0.3838161E+01 3,-1 139 3 -1 -0.498618 1.684866 1.703456 Rho 0.4077807E-01 |GRAD(Rho)| 0.2661639E-16 GRAD(Rho)x -0.1880477E-16 GRAD(Rho)y -0.1599770E-16 GRAD(Rho)z -0.9944167E-17 Laplacian 0.1612597E+00 (-1/4)Del**2(Rho)) -0.4031492E-01 Diamond 0.6113841E-01 Metallicity 0.2064422E+01 Ellipticity 0.3395375E-01 Gb(Abramov) 0.4074778E-01 Vb(Abramov) -0.4118064E-01 Hb(Abramov) -0.4328592E-03 Ex_ueg -0.1036622E-01 Ec_ueg -0.1911849E-02 Delta_ex -0.1256797E-01 Delta_ec 0.4729138E-02 Delta_et -0.4723332E-01 Pxc 0.5422093E+01 Qxc -0.2657559E+01 3,-1 140 3 +1 -1.179289 1.195256 2.153615 Rho 0.2478740E-01 |GRAD(Rho)| 0.6851538E-15 GRAD(Rho)x -0.5870551E-16 GRAD(Rho)y 0.3234487E-15 GRAD(Rho)z 0.6011409E-15 Laplacian 0.9744548E-01 (-1/4)Del**2(Rho)) -0.2436137E-01 Diamond 0.1317599E-01 Metallicity 0.1490172E+01 Ellipticity -0.4705768E+01 Gb(Abramov) 0.2229135E-01 Vb(Abramov) -0.2022134E-01 Hb(Abramov) 0.2070017E-02 Ex_ueg -0.5337768E-02 Ec_ueg -0.1078016E-02 Delta_ex -0.6110505E-02 Delta_ec 0.1767359E-02 Delta_et -0.1554116E-01 Pxc 0.4951474E+01 Qxc -0.3457421E+01 3,+1 141 3 +3 0.002095 2.313603 0.031967 Rho 0.4411787E-02 |GRAD(Rho)| 0.1208055E-15 GRAD(Rho)x 0.7691127E-16 GRAD(Rho)y 0.5702435E-16 GRAD(Rho)z -0.7366720E-16 Laplacian 0.1835707E-01 (-1/4)Del**2(Rho)) -0.4589266E-02 Diamond 0.1494007E-03 Metallicity 0.4454860E+00 Ellipticity -0.3103257E+00 Gb(Abramov) 0.3400253E-02 Vb(Abramov) -0.2211240E-02 Hb(Abramov) 0.1189013E-02 Ex_ueg -0.5344057E-03 Ec_ueg -0.1216881E-03 Delta_ex -0.6580592E-03 Delta_ec 0.1619295E-03 Delta_et -0.1017166E-02 Pxc 0.4391603E+01 Qxc -0.4063861E+01 3,+3 142 3 -1 1.659200 1.674288 -0.488923 Rho 0.3346309E-01 |GRAD(Rho)| 0.5199518E-16 GRAD(Rho)x 0.5491632E-17 GRAD(Rho)y 0.3310882E-16 GRAD(Rho)z 0.3971330E-16 Laplacian 0.1270566E+00 (-1/4)Del**2(Rho)) -0.3176414E-01 Diamond 0.3597347E-01 Metallicity 0.1884630E+01 Ellipticity 0.2288484E-01 Gb(Abramov) 0.3115337E-01 Vb(Abramov) -0.3054260E-01 Hb(Abramov) 0.6107724E-03 Ex_ueg -0.7964156E-02 Ec_ueg -0.1523582E-02 Delta_ex -0.9368326E-02 Delta_ec 0.3620156E-02 Delta_et -0.3426945E-01 Pxc 0.5227258E+01 Qxc -0.2587824E+01 3,-1 143 3 -1 0.442986 1.638969 -1.679757 Rho 0.4614829E-01 |GRAD(Rho)| 0.1178506E-15 GRAD(Rho)x 0.4760643E-16 GRAD(Rho)y -0.1020649E-15 GRAD(Rho)z 0.3471522E-16 Laplacian 0.1826777E+00 (-1/4)Del**2(Rho)) -0.4566943E-01 Diamond 0.8266516E-01 Metallicity 0.2239685E+01 Ellipticity 0.1204742E-01 Gb(Abramov) 0.4749381E-01 Vb(Abramov) -0.4931819E-01 Hb(Abramov) -0.1824381E-02 Ex_ueg -0.1222529E-01 Ec_ueg -0.2203098E-02 Delta_ex -0.1471895E-01 Delta_ec 0.5413948E-02 Delta_et -0.5589211E-01 Pxc 0.5549136E+01 Qxc -0.2718709E+01 3,-1 144 3 -1 1.981692 2.955536 -0.828743 Rho 0.1441012E+00 |GRAD(Rho)| 0.2092379E-15 GRAD(Rho)x 0.9351244E-17 GRAD(Rho)y -0.4153850E-16 GRAD(Rho)z 0.2048600E-15 Laplacian 0.5743176E+00 (-1/4)Del**2(Rho)) -0.1435794E+00 Diamond 0.1111823E+01 Metallicity 0.4752333E+01 Ellipticity 0.3079881E-01 Gb(Abramov) 0.2094425E+00 Vb(Abramov) -0.2753055E+00 Hb(Abramov) -0.6586306E-01 Ex_ueg -0.5579668E-01 Ec_ueg -0.8066979E-02 Delta_ex -0.6110125E-01 Delta_ec 0.1476796E-01 Delta_et -0.1955809E+00 Pxc 0.6916676E+01 Qxc -0.4137421E+01 3,-1 145 3 -1 2.979504 1.975285 -0.805271 Rho 0.1451838E+00 |GRAD(Rho)| 0.8836028E-12 GRAD(Rho)x 0.3714522E-12 GRAD(Rho)y -0.4927575E-12 GRAD(Rho)z -0.6324295E-12 Laplacian 0.5801647E+00 (-1/4)Del**2(Rho)) -0.1450412E+00 Diamond 0.1135419E+01 Metallicity 0.4763494E+01 Ellipticity 0.2527411E-01 Gb(Abramov) 0.2118446E+00 Vb(Abramov) -0.2786480E+00 Hb(Abramov) -0.6680342E-01 Ex_ueg -0.5635634E-01 Ec_ueg -0.8135927E-02 Delta_ex -0.6185856E-01 Delta_ec 0.1493055E-01 Delta_et -0.1980374E+00 Pxc 0.6926849E+01 Qxc -0.4143086E+01 3,-1 146 3 -1 2.788344 1.820002 0.597906 Rho 0.1514528E+00 |GRAD(Rho)| 0.8690894E-13 GRAD(Rho)x 0.6540877E-13 GRAD(Rho)y -0.5418734E-13 GRAD(Rho)z -0.1840075E-13 Laplacian 0.6351776E+00 (-1/4)Del**2(Rho)) -0.1587944E+00 Diamond 0.1301830E+01 Metallicity 0.4668530E+01 Ellipticity 0.1290508E-01 Gb(Abramov) 0.2294190E+00 Vb(Abramov) -0.3000436E+00 Hb(Abramov) -0.7062460E-01 Ex_ueg -0.5962405E-01 Ec_ueg -0.8536579E-02 Delta_ex -0.6837060E-01 Delta_ec 0.1607125E-01 Delta_et -0.2142112E+00 Pxc 0.6984537E+01 Qxc -0.4254218E+01 3,-1 147 3 -1 3.197144 3.207356 0.080815 Rho 0.2464875E+00 |GRAD(Rho)| 0.4499137E-14 GRAD(Rho)x 0.3918849E-14 GRAD(Rho)y 0.1459336E-15 GRAD(Rho)z -0.2205349E-14 Laplacian 0.8836655E+00 (-1/4)Del**2(Rho)) -0.2209164E+00 Diamond 0.3233371E+01 Metallicity 0.7556429E+01 Ellipticity 0.1216304E-02 Gb(Abramov) 0.4255008E+00 Vb(Abramov) -0.6300851E+00 Hb(Abramov) -0.2045844E+00 Ex_ueg -0.1141418E+00 Ec_ueg -0.1488872E-01 Delta_ex -0.1075437E+00 Delta_ec 0.1942234E-01 Delta_et -0.2695082E+00 Pxc 0.7666327E+01 Qxc -0.5537114E+01 3,-1 148 3 -1 -1.694943 0.494132 1.724138 Rho 0.4084218E-01 |GRAD(Rho)| 0.1039981E-15 GRAD(Rho)x -0.6789986E-16 GRAD(Rho)y -0.2353460E-16 GRAD(Rho)z 0.7517544E-16 Laplacian 0.1594807E+00 (-1/4)Del**2(Rho)) -0.3987017E-01 Diamond 0.6039109E-01 Metallicity 0.2092923E+01 Ellipticity 0.1327993E-01 Gb(Abramov) 0.4048765E-01 Vb(Abramov) -0.4110512E-01 Hb(Abramov) -0.6174760E-03 Ex_ueg -0.1038796E-01 Ec_ueg -0.1915297E-02 Delta_ex -0.1242277E-01 Delta_ec 0.4656543E-02 Delta_et -0.4652516E-01 Pxc 0.5423681E+01 Qxc -0.2667809E+01 3,-1 149 3 -1 -2.976899 0.863844 2.038052 Rho 0.1451410E+00 |GRAD(Rho)| 0.2541787E-15 GRAD(Rho)x -0.1185846E-16 GRAD(Rho)y 0.2163525E-15 GRAD(Rho)z -0.1328825E-15 Laplacian 0.5816242E+00 (-1/4)Del**2(Rho)) -0.1454061E+00 Diamond 0.1132316E+01 Metallicity 0.4749202E+01 Ellipticity 0.4314001E-01 Gb(Abramov) 0.2120312E+00 Vb(Abramov) -0.2786563E+00 Hb(Abramov) -0.6662510E-01 Ex_ueg -0.5633414E-01 Ec_ueg -0.8133194E-02 Delta_ex -0.6195188E-01 Delta_ec 0.1486597E-01 Delta_et -0.1969467E+00 Pxc 0.6926448E+01 Qxc -0.4167363E+01 3,-1 150 3 -1 -3.225762 0.025131 -3.211069 Rho 0.2261151E+00 |GRAD(Rho)| 0.3906639E-10 GRAD(Rho)x 0.2996538E-10 GRAD(Rho)y -0.1213150E-10 GRAD(Rho)z 0.2193367E-10 Laplacian 0.8238279E+00 (-1/4)Del**2(Rho)) -0.2059570E+00 Diamond 0.2719709E+01 Metallicity 0.7019818E+01 Ellipticity 0.1940099E-01 Gb(Abramov) 0.3782681E+00 Vb(Abramov) -0.5505792E+00 Hb(Abramov) -0.1723111E+00 Ex_ueg -0.1017399E+00 Ec_ueg -0.1348457E-01 Delta_ex -0.9804742E-01 Delta_ec 0.1859812E-01 Delta_et -0.2572976E+00 Pxc 0.7544908E+01 Qxc -0.5271899E+01 3,-1 151 3 -1 -3.196083 -0.042340 3.247662 Rho 0.2457278E+00 |GRAD(Rho)| 0.4591049E-15 GRAD(Rho)x 0.3661351E-15 GRAD(Rho)y 0.7995991E-16 GRAD(Rho)z -0.2651959E-15 Laplacian 0.8920755E+00 (-1/4)Del**2(Rho)) -0.2230189E+00 Diamond 0.3242342E+01 Metallicity 0.7446783E+01 Ellipticity 0.1577271E-02 Gb(Abramov) 0.4254748E+00 Vb(Abramov) -0.6279307E+00 Hb(Abramov) -0.2024559E+00 Ex_ueg -0.1136730E+00 Ec_ueg -0.1483596E-01 Delta_ex -0.1084295E+00 Delta_ec 0.1953606E-01 Delta_et -0.2706572E+00 Pxc 0.7661995E+01 Qxc -0.5550225E+01 3,-1 152 3 -1 -0.594316 -1.806556 2.823689 Rho 0.1249697E+00 |GRAD(Rho)| 0.7421915E-13 GRAD(Rho)x 0.4027425E-13 GRAD(Rho)y -0.6135225E-13 GRAD(Rho)z -0.1106201E-13 Laplacian 0.5185413E+00 (-1/4)Del**2(Rho)) -0.1296353E+00 Diamond 0.8366577E+00 Metallicity 0.4151175E+01 Ellipticity 0.6715240E-02 Gb(Abramov) 0.1761133E+00 Vb(Abramov) -0.2225914E+00 Hb(Abramov) -0.4647804E-01 Ex_ueg -0.4614500E-01 Ec_ueg -0.6861041E-02 Delta_ex -0.5318027E-01 Delta_ec 0.1358783E-01 Delta_et -0.1755777E+00 Pxc 0.6725656E+01 Qxc -0.3913816E+01 3,-1 153 3 -1 0.294419 -0.410927 0.330076 Rho 0.2007443E+00 |GRAD(Rho)| 0.1498607E-15 GRAD(Rho)x 0.1162114E-15 GRAD(Rho)y -0.6983151E-16 GRAD(Rho)z -0.6384906E-16 Laplacian 0.6986196E+00 (-1/4)Del**2(Rho)) -0.1746549E+00 Diamond 0.2230513E+01 Metallicity 0.6788563E+01 Ellipticity 0.5224305E-02 Gb(Abramov) 0.3140459E+00 Vb(Abramov) -0.4534369E+00 Hb(Abramov) -0.1393910E+00 Ex_ueg -0.8681126E-01 Ec_ueg -0.1176784E-01 Delta_ex -0.8220242E-01 Delta_ec 0.1910140E-01 Delta_et -0.2719369E+00 Pxc 0.7376991E+01 Qxc -0.4303475E+01 3,-1 154 3 -1 0.839544 1.931278 -2.951837 Rho 0.1311475E+00 |GRAD(Rho)| 0.3688602E-15 GRAD(Rho)x 0.1961322E-15 GRAD(Rho)y -0.2953231E-15 GRAD(Rho)z -0.1018540E-15 Laplacian 0.5206433E+00 (-1/4)Del**2(Rho)) -0.1301608E+00 Diamond 0.9003496E+00 Metallicity 0.4480633E+01 Ellipticity 0.2984667E-01 Gb(Abramov) 0.1839744E+00 Vb(Abramov) -0.2377879E+00 Hb(Abramov) -0.5381354E-01 Ex_ueg -0.4921131E-01 Ec_ueg -0.7247837E-02 Delta_ex -0.5414191E-01 Delta_ec 0.1370234E-01 Delta_et -0.1788607E+00 Pxc 0.6789792E+01 Qxc -0.3951289E+01 3,-1 155 3 -1 0.833800 2.926567 -1.961604 Rho 0.1374291E+00 |GRAD(Rho)| 0.1951250E-15 GRAD(Rho)x -0.9770017E-16 GRAD(Rho)y -0.1481901E-15 GRAD(Rho)z -0.8104411E-16 Laplacian 0.5502138E+00 (-1/4)Del**2(Rho)) -0.1375535E+00 Diamond 0.1006664E+01 Metallicity 0.4583666E+01 Ellipticity 0.3129632E-01 Gb(Abramov) 0.1967855E+00 Vb(Abramov) -0.2560175E+00 Hb(Abramov) -0.5923202E-01 Ex_ueg -0.5237894E-01 Ec_ueg -0.7643719E-02 Delta_ex -0.5787016E-01 Delta_ec 0.1432184E-01 Delta_et -0.1883423E+00 Pxc 0.6852547E+01 Qxc -0.4040694E+01 3,-1 156 3 -1 0.573766 2.797161 1.812072 Rho 0.1368889E+00 |GRAD(Rho)| 0.2661093E-15 GRAD(Rho)x -0.1934759E-15 GRAD(Rho)y -0.1130958E-15 GRAD(Rho)z 0.1434942E-15 Laplacian 0.5742723E+00 (-1/4)Del**2(Rho)) -0.1435681E+00 Diamond 0.1050073E+01 Metallicity 0.4362902E+01 Ellipticity 0.1052591E-01 Gb(Abramov) 0.2001076E+00 Vb(Abramov) -0.2566472E+00 Hb(Abramov) -0.5653955E-01 Ex_ueg -0.5210457E-01 Ec_ueg -0.7609570E-02 Delta_ex -0.6039184E-01 Delta_ec 0.1504975E-01 Delta_et -0.1979697E+00 Pxc 0.6847243E+01 Qxc -0.4012812E+01 3,-1 157 3 -1 2.013099 0.819761 -2.975274 Rho 0.1490485E+00 |GRAD(Rho)| 0.1277455E-13 GRAD(Rho)x 0.7748766E-14 GRAD(Rho)y -0.9402066E-14 GRAD(Rho)z 0.3840163E-14 Laplacian 0.5910693E+00 (-1/4)Del**2(Rho)) -0.1477673E+00 Diamond 0.1194329E+01 Metallicity 0.4884884E+01 Ellipticity 0.3578585E-01 Gb(Abramov) 0.2188159E+00 Vb(Abramov) -0.2898645E+00 Hb(Abramov) -0.7104860E-01 Ex_ueg -0.5836538E-01 Ec_ueg -0.8382634E-02 Delta_ex -0.6343283E-01 Delta_ec 0.1512178E-01 Delta_et -0.2013534E+00 Pxc 0.6962654E+01 Qxc -0.4194799E+01 3,-1 158 3 -1 -1.805277 0.481152 -2.841685 Rho 0.1202559E+00 |GRAD(Rho)| 0.2459243E-15 GRAD(Rho)x 0.1857442E-15 GRAD(Rho)y 0.1607194E-15 GRAD(Rho)z -0.1212951E-16 Laplacian 0.4990398E+00 (-1/4)Del**2(Rho)) -0.1247599E+00 Diamond 0.7791445E+00 Metallicity 0.4045652E+01 Ellipticity 0.1457225E-01 Gb(Abramov) 0.1672958E+00 Vb(Abramov) -0.2098317E+00 Hb(Abramov) -0.4253590E-01 Ex_ueg -0.4383895E-01 Ec_ueg -0.6567643E-02 Delta_ex -0.5084858E-01 Delta_ec 0.1344264E-01 Delta_et -0.1729903E+00 Pxc 0.6674989E+01 Qxc -0.3782633E+01 3,-1 159 3 -1 -0.593990 1.769771 -2.763798 Rho 0.1564377E+00 |GRAD(Rho)| 0.6454695E-12 GRAD(Rho)x 0.4205732E-12 GRAD(Rho)y 0.4775084E-12 GRAD(Rho)z 0.1083273E-12 Laplacian 0.6681817E+00 (-1/4)Del**2(Rho)) -0.1670454E+00 Diamond 0.1416765E+01 Metallicity 0.4684046E+01 Ellipticity 0.2129227E-01 Gb(Abramov) 0.2417717E+00 Vb(Abramov) -0.3164979E+00 Hb(Abramov) -0.7472625E-01 Ex_ueg -0.6225493E-01 Ec_ueg -0.8856887E-02 Delta_ex -0.7243387E-01 Delta_ec 0.1665171E-01 Delta_et -0.2226275E+00 Pxc 0.7028985E+01 Qxc -0.4349935E+01 3,-1 160 3 -1 -0.841923 1.984335 3.007686 Rho 0.1410503E+00 |GRAD(Rho)| 0.7200709E-12 GRAD(Rho)x -0.4900172E-12 GRAD(Rho)y -0.4166728E-12 GRAD(Rho)z 0.3236803E-12 Laplacian 0.5611178E+00 (-1/4)Del**2(Rho)) -0.1402795E+00 Diamond 0.1060744E+01 Metallicity 0.4693706E+01 Ellipticity 0.3309295E-01 Gb(Abramov) 0.2032581E+00 Vb(Abramov) -0.2662367E+00 Hb(Abramov) -0.6297860E-01 Ex_ueg -0.5422720E-01 Ec_ueg -0.7873090E-02 Delta_ex -0.5940817E-01 Delta_ec 0.1454362E-01 Delta_et -0.1920816E+00 Pxc 0.6887664E+01 Qxc -0.4084825E+01 3,-1 161 3 -1 -0.579114 2.763633 -1.776109 Rho 0.1494661E+00 |GRAD(Rho)| 0.5581943E-15 GRAD(Rho)x 0.3983630E-15 GRAD(Rho)y -0.1677871E-15 GRAD(Rho)z -0.3531789E-15 Laplacian 0.6219624E+00 (-1/4)Del**2(Rho)) -0.1554906E+00 Diamond 0.1252841E+01 Metallicity 0.4663947E+01 Ellipticity 0.1284538E-01 Gb(Abramov) 0.2245271E+00 Vb(Abramov) -0.2935635E+00 Hb(Abramov) -0.6903645E-01 Ex_ueg -0.5858351E-01 Ec_ueg -0.8409347E-02 Delta_ex -0.6671258E-01 Delta_ec 0.1575564E-01 Delta_et -0.2095451E+00 Pxc 0.6966476E+01 Qxc -0.4234202E+01 3,-1 162 3 -1 -0.836393 2.969462 1.989597 Rho 0.1572750E+00 |GRAD(Rho)| 0.1426393E-11 GRAD(Rho)x 0.1028982E-11 GRAD(Rho)y -0.5915113E-12 GRAD(Rho)z 0.7911442E-12 Laplacian 0.6219216E+00 (-1/4)Del**2(Rho)) -0.1554804E+00 Diamond 0.1332724E+01 Metallicity 0.5077426E+01 Ellipticity 0.4162211E-01 Gb(Abramov) 0.2352270E+00 Vb(Abramov) -0.3149736E+00 Hb(Abramov) -0.7974658E-01 Ex_ueg -0.6269958E-01 Ec_ueg -0.8910833E-02 Delta_ex -0.6756029E-01 Delta_ec 0.1557091E-01 Delta_et -0.2085525E+00 Pxc 0.7036332E+01 Qxc -0.4338879E+01 3,-1 163 3 +1 -1.767887 1.735746 -1.742151 Rho 0.1155167E-01 |GRAD(Rho)| 0.2226766E-15 GRAD(Rho)x 0.7794140E-16 GRAD(Rho)y -0.8323757E-16 GRAD(Rho)z -0.1912630E-15 Laplacian 0.5631595E-01 (-1/4)Del**2(Rho)) -0.1407899E-01 Diamond 0.2183137E-02 Metallicity 0.7223094E+00 Ellipticity -0.1296442E+01 Gb(Abramov) 0.1108089E-01 Vb(Abramov) -0.8082791E-02 Hb(Abramov) 0.2998098E-02 Ex_ueg -0.1928612E-02 Ec_ueg -0.4389124E-03 Delta_ex -0.2753119E-02 Delta_ec 0.7534129E-03 Delta_et -0.5579298E-02 Pxc 0.4394071E+01 Qxc -0.3654197E+01 3,+1 164 3 -1 0.565224 1.806305 2.767934 Rho 0.1492846E+00 |GRAD(Rho)| 0.1577927E-15 GRAD(Rho)x 0.4533320E-16 GRAD(Rho)y -0.1456897E-15 GRAD(Rho)z -0.4022390E-16 Laplacian 0.6259279E+00 (-1/4)Del**2(Rho)) -0.1564820E+00 Diamond 0.1257260E+01 Metallicity 0.4625024E+01 Ellipticity 0.1418494E-01 Gb(Abramov) 0.2249435E+00 Vb(Abramov) -0.2934050E+00 Hb(Abramov) -0.6846150E-01 Ex_ueg -0.5848869E-01 Ec_ueg -0.8397736E-02 Delta_ex -0.6710054E-01 Delta_ec 0.1582992E-01 Delta_et -0.2104262E+00 Pxc 0.6964816E+01 Qxc -0.4238843E+01 3,-1 165 3 -1 -0.071685 3.141112 -3.171142 Rho 0.2452257E+00 |GRAD(Rho)| 0.8696251E-15 GRAD(Rho)x -0.1451882E-15 GRAD(Rho)y 0.5898060E-15 GRAD(Rho)z -0.6223320E-15 Laplacian 0.8982887E+00 (-1/4)Del**2(Rho)) -0.2245722E+00 Diamond 0.3249671E+01 Metallicity 0.7370106E+01 Ellipticity 0.2318215E-02 Gb(Abramov) 0.4255682E+00 Vb(Abramov) -0.6265643E+00 Hb(Abramov) -0.2009961E+00 Ex_ueg -0.1133634E+00 Ec_ueg -0.1480110E-01 Delta_ex -0.1090889E+00 Delta_ec 0.1961750E-01 Delta_et -0.2714672E+00 Pxc 0.7659123E+01 Qxc -0.5560795E+01 3,-1 166 3 -1 0.067427 3.195885 3.206443 Rho 0.2447428E+00 |GRAD(Rho)| 0.6699288E-15 GRAD(Rho)x -0.1146544E-15 GRAD(Rho)y -0.3435837E-15 GRAD(Rho)z -0.5635683E-15 Laplacian 0.8886300E+00 (-1/4)Del**2(Rho)) -0.2221575E+00 Diamond 0.3214597E+01 Metallicity 0.7425781E+01 Ellipticity 0.5917444E-02 Gb(Abramov) 0.4230538E+00 Vb(Abramov) -0.6239501E+00 Hb(Abramov) -0.2008963E+00 Ex_ueg -0.1130659E+00 Ec_ueg -0.1476759E-01 Delta_ex -0.1078990E+00 Delta_ec 0.1948737E-01 Delta_et -0.2699680E+00 Pxc 0.7656356E+01 Qxc -0.5536870E+01 3,-1 167 3 -1 1.597463 -1.735273 0.413841 Rho 0.4270171E-01 |GRAD(Rho)| 0.4400336E-16 GRAD(Rho)x -0.2529812E-16 GRAD(Rho)y 0.2750824E-16 GRAD(Rho)z 0.2322924E-16 Laplacian 0.1669326E+00 (-1/4)Del**2(Rho)) -0.4173315E-01 Diamond 0.6801641E-01 Metallicity 0.2153512E+01 Ellipticity 0.7607426E-02 Gb(Abramov) 0.4280091E-01 Vb(Abramov) -0.4386867E-01 Hb(Abramov) -0.1067758E-02 Ex_ueg -0.1102331E-01 Ec_ueg -0.2015611E-02 Delta_ex -0.1319416E-01 Delta_ec 0.4954057E-02 Delta_et -0.5010214E-01 Pxc 0.5468966E+01 Qxc -0.2663305E+01 3,-1 168 3 -1 -1.982958 2.938515 0.838293 Rho 0.1176450E+00 |GRAD(Rho)| 0.2199349E-14 GRAD(Rho)x -0.1346247E-14 GRAD(Rho)y -0.8604703E-15 GRAD(Rho)z -0.1511405E-14 Laplacian 0.4724679E+00 (-1/4)Del**2(Rho)) -0.1181170E+00 Diamond 0.7144574E+00 Metallicity 0.4119678E+01 Ellipticity 0.1022456E-01 Gb(Abramov) 0.1598453E+00 Vb(Abramov) -0.2015736E+00 Hb(Abramov) -0.4172832E-01 Ex_ueg -0.4257451E-01 Ec_ueg -0.6405799E-02 Delta_ex -0.4783556E-01 Delta_ec 0.1269397E-01 Delta_et -0.1625681E+00 Pxc 0.6646244E+01 Qxc -0.3768369E+01 3,-1 169 3 -1 1.146118 -1.776116 -2.609505 Rho 0.3078428E+00 |GRAD(Rho)| 0.2886956E-14 GRAD(Rho)x -0.3751368E-15 GRAD(Rho)y 0.2116310E-14 GRAD(Rho)z -0.1927439E-14 Laplacian -0.1544784E+01 (-1/4)Del**2(Rho)) 0.3861959E+00 Diamond 0.5253502E+01 Metallicity -0.6260762E+01 Ellipticity 0.3343486E-02 Gb(Abramov) 0.1455162E+00 Vb(Abramov) -0.6772283E+00 Hb(Abramov) -0.5317121E+00 Ex_ueg -0.1535172E+00 Ec_ueg -0.1925511E-01 Delta_ex 0.1511265E+00 Delta_ec 0.5458359E-01 Delta_et -0.1272784E+01 Pxc 0.7972802E+01 Qxc 0.2768717E+01 3,-1 170 3 -1 -1.710555 1.658220 0.491841 Rho 0.4091303E-01 |GRAD(Rho)| 0.2241445E-16 GRAD(Rho)x 0.1754057E-16 GRAD(Rho)y -0.1179620E-16 GRAD(Rho)z -0.7455584E-17 Laplacian 0.1594323E+00 (-1/4)Del**2(Rho)) -0.3985807E-01 Diamond 0.6059999E-01 Metallicity 0.2099615E+01 Ellipticity 0.2041519E-01 Gb(Abramov) 0.4051981E-01 Vb(Abramov) -0.4118155E-01 Hb(Abramov) -0.6617410E-03 Ex_ueg -0.1041199E-01 Ec_ueg -0.1919108E-02 Delta_ex -0.1242914E-01 Delta_ec 0.4663597E-02 Delta_et -0.4661837E-01 Pxc 0.5425435E+01 Qxc -0.2665139E+01 3,-1 171 3 -1 -2.808726 1.783216 -0.558169 Rho 0.1953696E+00 |GRAD(Rho)| 0.1359710E-15 GRAD(Rho)x -0.3756761E-16 GRAD(Rho)y -0.1121607E-15 GRAD(Rho)z 0.6705790E-16 Laplacian 0.7966508E+00 (-1/4)Del**2(Rho)) -0.1991627E+00 Diamond 0.2180201E+01 Metallicity 0.5689930E+01 Ellipticity 0.2168693E-01 Gb(Abramov) 0.3216455E+00 Vb(Abramov) -0.4441282E+00 Hb(Abramov) -0.1224827E+00 Ex_ueg -0.8372615E-01 Ec_ueg -0.1140875E-01 Delta_ex -0.9113651E-01 Delta_ec 0.1840937E-01 Delta_et -0.2510433E+00 Pxc 0.7338766E+01 Qxc -0.4950551E+01 3,-1 172 3 -1 -2.991913 1.966424 0.871522 Rho 0.1364358E+00 |GRAD(Rho)| 0.9346881E-13 GRAD(Rho)x 0.2865232E-13 GRAD(Rho)y 0.5021531E-13 GRAD(Rho)z -0.7344308E-13 Laplacian 0.5360243E+00 (-1/4)Del**2(Rho)) -0.1340061E+00 Diamond 0.9780741E+00 Metallicity 0.4648461E+01 Ellipticity 0.2520476E-01 Gb(Abramov) 0.1931577E+00 Vb(Abramov) -0.2523093E+00 Hb(Abramov) -0.5915163E-01 Ex_ueg -0.5187476E-01 Ec_ueg -0.7580947E-02 Delta_ex -0.5634507E-01 Delta_ec 0.1409566E-01 Delta_et -0.1853964E+00 Pxc 0.6842781E+01 Qxc -0.3997336E+01 3,-1 173 3 -1 -0.467810 -0.392788 -0.373879 Rho 0.2082207E+00 |GRAD(Rho)| 0.2966285E-15 GRAD(Rho)x 0.2942912E-15 GRAD(Rho)y -0.2775118E-16 GRAD(Rho)z -0.2471887E-16 Laplacian 0.7796162E+00 (-1/4)Del**2(Rho)) -0.1949041E+00 Diamond 0.2554040E+01 Metallicity 0.6465552E+01 Ellipticity 0.3240809E-01 Gb(Abramov) 0.3399631E+00 Vb(Abramov) -0.4850221E+00 Hb(Abramov) -0.1450590E+00 Ex_ueg -0.9114868E-01 Ec_ueg -0.1227003E-01 Delta_ex -0.9226923E-01 Delta_ec 0.2057921E-01 Delta_et -0.2926454E+00 Pxc 0.7428560E+01 Qxc -0.4483614E+01 3,-1 174 3 -1 3.096802 -3.238716 -0.121934 Rho 0.2404132E+00 |GRAD(Rho)| 0.4256818E-15 GRAD(Rho)x 0.2341877E-16 GRAD(Rho)y 0.4248988E-15 GRAD(Rho)z -0.1084202E-16 Laplacian 0.8801877E+00 (-1/4)Del**2(Rho)) -0.2200469E+00 Diamond 0.3113930E+01 Metallicity 0.7277267E+01 Ellipticity 0.1055371E-01 Gb(Abramov) 0.4135880E+00 Vb(Abramov) -0.6071290E+00 Hb(Abramov) -0.1935410E+00 Ex_ueg -0.1104069E+00 Ec_ueg -0.1446768E-01 Delta_ex -0.1063632E+00 Delta_ec 0.1938208E-01 Delta_et -0.2682606E+00 Pxc 0.7631276E+01 Qxc -0.5487707E+01 3,-1 175 3 -1 -1.972023 0.858172 3.027191 Rho 0.1431343E+00 |GRAD(Rho)| 0.4482417E-13 GRAD(Rho)x -0.2688809E-13 GRAD(Rho)y -0.3267806E-13 GRAD(Rho)z -0.1477772E-13 Laplacian 0.5682572E+00 (-1/4)Del**2(Rho)) -0.1420643E+00 Diamond 0.1091195E+01 Metallicity 0.4749423E+01 Ellipticity 0.3465129E-01 Gb(Abramov) 0.2071635E+00 Vb(Abramov) -0.2722626E+00 Hb(Abramov) -0.6509916E-01 Ex_ueg -0.5529806E-01 Ec_ueg -0.8005467E-02 Delta_ex -0.6035682E-01 Delta_ec 0.1463559E-01 Delta_et -0.1936343E+00 Pxc 0.6907537E+01 Qxc -0.4123976E+01 3,-1 176 3 -1 1.732032 -2.846100 -0.647653 Rho 0.2052635E+00 |GRAD(Rho)| 0.1621053E-13 GRAD(Rho)x -0.1374421E-13 GRAD(Rho)y 0.8496865E-14 GRAD(Rho)z -0.1296597E-14 Laplacian 0.8011674E+00 (-1/4)Del**2(Rho)) -0.2002918E+00 Diamond 0.2331661E+01 Metallicity 0.6143411E+01 Ellipticity 0.3413452E-02 Gb(Abramov) 0.3386071E+00 Vb(Abramov) -0.4769223E+00 Hb(Abramov) -0.1383152E+00 Ex_ueg -0.8942675E-01 Ec_ueg -0.1207103E-01 Delta_ex -0.9285324E-01 Delta_ec 0.1832069E-01 Delta_et -0.2509597E+00 Pxc 0.7408381E+01 Qxc -0.5068217E+01 3,-1 177 3 -1 -3.219112 3.161787 -0.067989 Rho 0.2417732E+00 |GRAD(Rho)| 0.2401945E-10 GRAD(Rho)x -0.1634114E-10 GRAD(Rho)y 0.1723315E-10 GRAD(Rho)z -0.3594339E-11 Laplacian 0.8799183E+00 (-1/4)Del**2(Rho)) -0.2199796E+00 Diamond 0.3134415E+01 Metallicity 0.7348256E+01 Ellipticity 0.9625345E-02 Gb(Abramov) 0.4160641E+00 Vb(Abramov) -0.6121486E+00 Hb(Abramov) -0.1960845E+00 Ex_ueg -0.1112404E+00 Ec_ueg -0.1456177E-01 Delta_ex -0.1064887E+00 Delta_ec 0.1934580E-01 Delta_et -0.2678159E+00 Pxc 0.7639206E+01 Qxc -0.5504489E+01 3,-1 178 3 -1 0.290483 0.321248 -0.387645 Rho 0.1973246E+00 |GRAD(Rho)| 0.9500870E-12 GRAD(Rho)x -0.5839475E-12 GRAD(Rho)y -0.5388658E-12 GRAD(Rho)z 0.5208592E-12 Laplacian 0.6660959E+00 (-1/4)Del**2(Rho)) -0.1665240E+00 Diamond 0.2088132E+01 Metallicity 0.6919027E+01 Ellipticity 0.3729437E-02 Gb(Abramov) 0.3030466E+00 Vb(Abramov) -0.4395692E+00 Hb(Abramov) -0.1365226E+00 Ex_ueg -0.8484506E-01 Ec_ueg -0.1153917E-01 Delta_ex -0.7807650E-01 Delta_ec 0.1835217E-01 Delta_et -0.2608632E+00 Pxc 0.7352784E+01 Qxc -0.4254348E+01 3,-1 179 3 -1 -1.811157 2.766039 -0.568295 Rho 0.1343259E+00 |GRAD(Rho)| 0.2882435E-13 GRAD(Rho)x 0.2473583E-13 GRAD(Rho)y -0.1452256E-13 GRAD(Rho)z -0.2842100E-14 Laplacian 0.5580883E+00 (-1/4)Del**2(Rho)) -0.1395221E+00 Diamond 0.9982642E+00 Metallicity 0.4350204E+01 Ellipticity 0.1037652E-01 Gb(Abramov) 0.1941730E+00 Vb(Abramov) -0.2488238E+00 Hb(Abramov) -0.5465089E-01 Ex_ueg -0.5080790E-01 Ec_ueg -0.7447825E-02 Delta_ex -0.5843011E-01 Delta_ec 0.1470657E-01 Delta_et -0.1929065E+00 Pxc 0.6821844E+01 Qxc -0.3973062E+01 3,-1 180 3 -1 1.811843 0.545974 2.758047 Rho 0.1208585E+00 |GRAD(Rho)| 0.4051481E-15 GRAD(Rho)x 0.3142560E-15 GRAD(Rho)y -0.2084175E-15 GRAD(Rho)z -0.1481562E-15 Laplacian 0.5063253E+00 (-1/4)Del**2(Rho)) -0.1265813E+00 Diamond 0.7836325E+00 Metallicity 0.4020798E+01 Ellipticity 0.7333774E-02 Gb(Abramov) 0.1692139E+00 Vb(Abramov) -0.2118464E+00 Hb(Abramov) -0.4263255E-01 Ex_ueg -0.4413211E-01 Ec_ueg -0.6605067E-02 Delta_ex -0.5149759E-01 Delta_ec 0.1334659E-01 Delta_et -0.1714474E+00 Pxc 0.6681554E+01 Qxc -0.3858482E+01 3,-1 181 3 -1 -0.780751 -3.418226 -1.284195 Rho 0.3114447E+00 |GRAD(Rho)| 0.8720558E-16 GRAD(Rho)x 0.8004631E-16 GRAD(Rho)y -0.3032759E-16 GRAD(Rho)z -0.1666248E-16 Laplacian -0.1608476E+01 (-1/4)Del**2(Rho)) 0.4021190E+00 Diamond 0.5457663E+01 Metallicity -0.6130560E+01 Ellipticity 0.2129816E-02 Gb(Abramov) 0.1427898E+00 Vb(Abramov) -0.6876986E+00 Hb(Abramov) -0.5449088E+00 Ex_ueg -0.1559168E+00 Ec_ueg -0.1951791E-01 Delta_ex 0.1584183E+00 Delta_ec 0.5623026E-01 Delta_et -0.1319587E+01 Pxc 0.7988399E+01 Qxc 0.2817315E+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 77 117 152 112 122 118 116 153 173 178 78 143 159 161 154 155 165 139 164 156 160 162 166 167 95 176 96 92 174 142 146 90 145 144 147 170 171 179 172 168 177 106 136 138 55 137 54 109 64 158 57 107 150 148 63 111 149 175 151 126 131 180 103 124 132 87 104 125 134 157 130 123 114 56 169 119 115 181 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 14 21 21 28 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 21 28 36 52 52 53 53 2.478210 1.962298 1.895779 1.954704 1.939294 1.725624 1.561816 1.543773 1.569384 1.575007 2.404139 1.894007 1.914862 1.975881 1.956879 1.735428 2.454640 1.915623 1.948181 1.946342 1.905491 1.736258 2.436350 1.942234 1.801991 2.088048 1.964831 1.743030 2.545931 1.909253 1.916405 1.934743 1.938416 1.733782 2.458063 1.814743 1.956192 1.960476 2.020269 1.740947 2.377824 1.943650 1.983888 1.902078 1.921333 1.734703 2.422087 2.209509 1.974457 1.984521 1.740617 1.739657 2.458200 1.930954 1.912958 1.935146 1.941053 1.734730 2.532114 1.961148 1.975634 1.868358 1.941386 1.726865 2.523796 1.934742 1.912865 1.951473 1.925066 1.735096 3.278853 3.087879 3.151436 1.005845 1.696535 1.744850 1.003761 2.479258 1.962833 1.896422 1.955507 1.940081 1.725639 1.561847 1.543876 1.569432 1.575016 2.405472 1.894415 1.915308 1.976500 1.957476 1.735432 2.455795 1.916070 1.948538 1.946887 1.906026 1.736263 2.437436 1.942612 1.802102 2.088586 1.965438 1.743048 2.546923 1.909676 1.916853 1.935304 1.939045 1.733783 2.458583 1.815076 1.956515 1.961027 2.020841 1.740959 2.379402 1.944098 1.984360 1.902711 1.922680 1.734711 2.423607 2.210051 1.974999 1.985296 1.740665 1.739693 2.459249 1.931406 1.913483 1.935799 1.941632 1.734732 2.533121 1.961740 1.976260 1.868990 1.942087 1.726878 2.524725 1.935251 1.914167 1.952042 1.925630 1.735099 3.338522 3.090295 3.154396 1.005940 1.701909 1.745888 1.003887 29 23 25 28 25 23 21 21 21 22 28 23 23 23 23 22 29 23 23 23 23 22 27 25 22 25 24 22 29 23 28 23 26 20 27 23 23 23 25 21 27 23 25 27 27 22 27 25 23 24 23 24 29 24 25 25 23 20 29 25 23 23 26 21 29 25 27 23 23 21 37 33 33 18 24 25 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 P W W W W W W Mo W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.3317 2.3238 2.4862 2.4865 2.4116 2.4852 2.4666 2.4625 2.2612 2.4766 2.3204 2.4676 -1.0420 -0.9876 -1.0492 -1.0564 -0.9539 -0.9719 -0.9071 -0.9304 -0.7663 -0.9308 -0.9430 -0.9245 -0.9596 -0.9199 -0.9580 -0.8978 -0.9046 -0.9529 -0.9672 -0.9712 -0.9048 -0.9669 -0.9660 -0.6994 -0.7784 -0.9699 -0.9372 -0.9681 -0.7035 -0.7813 -0.7773 -0.7849 -0.7994 -0.7787 -0.7985 -0.7728 -0.7330 -0.7789 -0.7096 0.2979 0.3251 1.9412 2.5075 2.0891 2.0856 2.1145 2.0842 2.0894 2.1103 1.9957 2.0868 1.9530 2.0962 1.8958 1.8987 1.8944 1.8925 1.9334 1.9317 1.9460 1.9361 1.8784 1.9360 1.9354 1.9362 1.9330 1.9379 1.9335 1.9580 1.9520 1.9441 1.9418 1.9427 1.9463 1.9431 1.9425 1.9751 1.8794 1.9433 1.9464 1.9427 1.9787 1.9667 1.9682 1.9666 1.9643 1.9687 1.9652 1.9678 1.9725 1.9679 1.9781 0.5412 0.5224 6.0842 7.3415 6.0917 6.0882 6.1096 6.0918 6.0913 6.1024 6.0832 6.0924 6.0847 6.1043 5.1064 5.0497 5.1159 5.1244 4.9907 5.0098 4.9314 4.9659 4.8560 4.9677 4.9795 4.9599 4.9961 4.9534 4.9940 4.9066 4.9239 4.9780 4.9932 4.9962 4.9306 4.9924 4.9908 4.6922 4.8680 4.9959 4.9612 4.9934 4.6907 4.7785 4.7730 4.7823 4.8001 4.7736 4.7982 4.7688 4.7287 4.7748 4.6976 0.1609 0.1524 3.6428 0.8272 3.3034 3.3102 3.3354 3.3093 3.3235 3.2955 3.6600 3.3148 3.6419 3.3030 0.0398 0.0392 0.0390 0.0395 0.0299 0.0303 0.0297 0.0284 0.0319 0.0271 0.0281 0.0283 0.0305 0.0287 0.0305 0.0332 0.0286 0.0309 0.0322 0.0323 0.0279 0.0315 0.0327 0.0321 0.0310 0.0307 0.0296 0.0320 0.0341 0.0361 0.0362 0.0360 0.0350 0.0364 0.0352 0.0362 0.0318 0.0363 0.0339 0.0000 0.0000 0.0000 0.0000 14.0295 14.0295 14.0288 14.0294 14.0292 14.0293 0.0000 14.0294 0.0000 14.0290 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 P W W W W W W Mo W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 3.183996 2.005130 2.522640 2.516455 2.492528 2.515391 2.500943 2.536289 3.159704 2.516031 3.180237 2.517063 -1.092651 -1.019970 -1.032931 -1.038560 -0.950967 -0.959314 -0.997633 -1.065497 -0.614402 -1.066778 -1.061157 -1.062898 -0.957488 -1.074162 -0.953764 -0.755630 -1.065116 -1.046534 -0.945167 -0.945930 -1.164828 -0.937949 -0.943123 -0.971793 -0.601859 -0.950728 -1.056693 -0.943046 -0.971631 -0.817013 -0.807907 -0.817352 -0.837345 -0.808259 -0.834061 -0.801568 -1.004175 -0.809594 -0.979027 0.052634 0.065464 2.370262 1.570762 1.952471 1.946443 1.922398 1.945775 1.937309 1.970202 2.349194 1.945268 2.369909 1.945914 -0.842335 -0.779217 -0.752076 -0.757032 -0.705815 -0.722366 -0.804817 -0.818041 -0.739883 -0.819016 -0.809954 -0.817147 -0.721953 -0.815840 -0.717461 -0.621329 -0.866490 -0.843045 -0.758374 -0.769272 -0.937224 -0.749799 -0.762467 -0.761520 -0.756514 -0.785102 -0.851861 -0.766328 -0.742492 -0.704459 -0.703528 -0.714100 -0.729290 -0.703038 -0.730276 -0.682257 -0.790046 -0.704918 -0.749096 0.288010 0.291863 2.460509 1.537082 2.054972 2.049521 2.017299 2.049924 2.035491 2.075668 2.437204 2.047911 2.459751 2.047684 -0.867953 -0.835331 -0.808204 -0.816039 -0.792991 -0.804953 -0.856629 -0.894043 -0.776503 -0.897936 -0.897238 -0.884039 -0.794567 -0.916801 -0.794208 -0.727878 -0.900872 -0.883272 -0.803668 -0.811192 -0.976941 -0.799251 -0.793225 -0.749718 -0.777593 -0.820132 -0.909580 -0.806789 -0.698722 -0.685979 -0.670430 -0.681554 -0.691395 -0.669023 -0.698401 -0.661252 -0.779179 -0.671033 -0.709411 0.370601 0.370306 2.23416058 -2.69401053 0.30554482 3.51319283 -14.05919198 4.87123747 -0.85722217 6.63649794 6.73292893 7.42269404 -377.9885 403.9318 -66.7061 -384.6613 -29.4966 -454.9206 Apr10-2024 19:37:16 Nodes: 1 Procs: 1 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 0 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 Apr10-2024 19:37:17 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr10-2024 19:37:18 Nodes: 1 Procs: 1 Apr10-2024 19:37:19 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr10-2024 19:37:20 Nodes: 1 Procs: 1 Apr10-2024 19:37:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr10-2024 19:37:20 Nodes: 1 Procs: 1 Apr10-2024 19:37:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr10-2024 19:37:23 Nodes: 1 Procs: 24 *** (NO TITLE) *** -5 -16.04760503 -16.50435587 -16.20718583 -16.51154783 -16.64689442 -16.67705347 -16.69273950 -16.69385625 -16.70084185 -16.70358185 -16.70630272 -16.70677878 -16.70893536 -16.71360422 -16.71402635 -16.71545014 -16.71680944 -16.71740664 -16.71767232 -16.71782373 -16.71790458 -16.71793712 -16.71797382 -16.71800069 -16.71801328 -16.71802472 GEOMETRY CONVERGED