ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 17:06:51 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.02 0.38 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 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 17:06:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.03 0.61 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 0 Apr23-2024 17:06:52 Nodes: 1 Procs: 1 Apr23-2024 17:06:52 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 17:06:53 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.02 0.74 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 0 Apr23-2024 17:06:52 Nodes: 1 Procs: 1 Apr23-2024 17:06:52 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr23-2024 17:06:53 Nodes: 1 Procs: 1 Apr23-2024 17:06:53 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 17:06:54 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.41 0.03 0.47 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 0 Apr23-2024 17:06:52 Nodes: 1 Procs: 1 Apr23-2024 17:06:52 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr23-2024 17:06:53 Nodes: 1 Procs: 1 Apr23-2024 17:06:53 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr23-2024 17:06:54 Nodes: 1 Procs: 1 Apr23-2024 17:06:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 17:06:55 Hydrogen (TZP) kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.20 0.02 1.27 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 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 0 Apr23-2024 17:06:52 Nodes: 1 Procs: 1 Apr23-2024 17:06:52 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr23-2024 17:06:53 Nodes: 1 Procs: 1 Apr23-2024 17:06:53 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr23-2024 17:06:54 Nodes: 1 Procs: 1 Apr23-2024 17:06:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr23-2024 17:06:55 Nodes: 1 Procs: 1 Apr23-2024 17:06:56 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 17:06:57 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2786.241500000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Mo ADF 2019 Apr23-2024 17:06:53 1 1 Molybdenum TZP 3d t21.W ADF 2019 Apr23-2024 17:06:56 1 1 Tungsten TZP 4d t21.O ADF 2019 Apr23-2024 17:06:54 1 1 Oxygen TZP 1s t21.Si ADF 2019 Apr23-2024 17:06:52 1 1 Silicon TZP 1s t21.H ADF 2019 Apr23-2024 17:06:51 1 1 Hydrogen TZP 1 1 -16.58064948 0.20772885 0.00100000 F 0.09644195 0.00066667 F 0.20772885 0.09644195 0.13631842 0.01000000 F 0.04969169 0.00666667 F Cartesian 2786.241500000006 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Delta_ec 0.1523946E-01 Delta_et -0.2034171E+00 Pxc 0.6999006E+01 Qxc -0.4276562E+01 3,-1 57 3 +1 -2.149506 1.060048 1.355716 Rho 0.2924809E-01 |GRAD(Rho)| 0.3549867E-16 GRAD(Rho)x -0.3086886E-16 GRAD(Rho)y 0.1039015E-16 GRAD(Rho)z -0.1411786E-16 Laplacian 0.1121508E+00 (-1/4)Del**2(Rho)) -0.2803771E-01 Diamond 0.1567865E-01 Metallicity 0.1705977E+01 Ellipticity -0.2643262E+01 Gb(Abramov) 0.2666376E-01 Vb(Abramov) -0.2528980E-01 Hb(Abramov) 0.1373954E-02 Ex_ueg -0.6655517E-02 Ec_ueg -0.1304888E-02 Delta_ex -0.7052476E-02 Delta_ec 0.1505289E-02 Delta_et -0.1384456E-01 Pxc 0.5100449E+01 Qxc -0.4685131E+01 3,+1 58 3 -1 -3.157387 3.149590 -0.095054 Rho 0.1747317E+00 |GRAD(Rho)| 0.4562539E-15 GRAD(Rho)x -0.4140839E-15 GRAD(Rho)y 0.1859407E-15 GRAD(Rho)z -0.4613280E-16 Laplacian 0.6930749E+00 (-1/4)Del**2(Rho)) -0.1732687E+00 Diamond 0.1711099E+01 Metallicity 0.5429827E+01 Ellipticity 0.1147374E+00 Gb(Abramov) 0.2723157E+00 Vb(Abramov) -0.3713626E+00 Hb(Abramov) -0.9904695E-01 Ex_ueg -0.7214631E-01 Ec_ueg -0.1004508E-01 Delta_ex -0.7749959E-01 Delta_ec 0.1726439E-01 Delta_et -0.2352629E+00 Pxc 0.7182256E+01 Qxc -0.4488985E+01 3,-1 59 3 -1 -2.733910 0.534481 -1.787151 Rho 0.1259727E+00 |GRAD(Rho)| 0.2512600E-15 GRAD(Rho)x -0.1139869E-15 GRAD(Rho)y 0.1427217E-15 GRAD(Rho)z 0.1725372E-15 Laplacian 0.5266975E+00 (-1/4)Del**2(Rho)) -0.1316744E+00 Diamond 0.8794688E+00 Metallicity 0.4141708E+01 Ellipticity 0.1616320E-01 Gb(Abramov) 0.1786757E+00 Vb(Abramov) -0.2256771E+00 Hb(Abramov) -0.4700134E-01 Ex_ueg -0.4663949E-01 Ec_ueg -0.6923668E-02 Delta_ex -0.5439036E-01 Delta_ec 0.1425674E-01 Delta_et -0.1853296E+00 Pxc 0.6736240E+01 Qxc -0.3815064E+01 3,-1 60 3 +3 -2.315217 -0.048199 -0.025366 Rho 0.4981927E-02 |GRAD(Rho)| 0.3758510E-17 GRAD(Rho)x 0.3490124E-17 GRAD(Rho)y 0.1330370E-17 GRAD(Rho)z 0.4189777E-18 Laplacian 0.2106352E-01 (-1/4)Del**2(Rho)) -0.5265880E-02 Diamond 0.2120343E-03 Metallicity 0.4754204E+00 Ellipticity -0.3141098E+00 Gb(Abramov) 0.3927838E-02 Vb(Abramov) -0.2589795E-02 Hb(Abramov) 0.1338042E-02 Ex_ueg -0.6284174E-03 Ec_ueg -0.1461351E-03 Delta_ex -0.7882713E-03 Delta_ec 0.2021834E-03 Delta_et -0.1283326E-02 Pxc 0.4300249E+01 Qxc -0.3898793E+01 3,+3 61 3 +1 -2.870081 -0.200796 -0.184761 Rho 0.5593875E-02 |GRAD(Rho)| 0.1227175E-16 GRAD(Rho)x -0.4800948E-19 GRAD(Rho)y 0.2849114E-17 GRAD(Rho)z -0.1193634E-16 Laplacian 0.2373116E-01 (-1/4)Del**2(Rho)) -0.5932789E-02 Diamond 0.5847558E-03 Metallicity 0.5118572E+00 Ellipticity -0.2085935E+01 Gb(Abramov) 0.4461316E-02 Vb(Abramov) -0.2989843E-02 Hb(Abramov) 0.1471473E-02 Ex_ueg -0.7333907E-03 Ec_ueg -0.1725585E-03 Delta_ex -0.1158915E-02 Delta_ec 0.6633199E-03 Delta_et -0.3759195E-02 Pxc 0.4250099E+01 Qxc -0.1747143E+01 3,+1 62 3 -1 -1.982106 0.854503 2.981772 Rho 0.1447025E+00 |GRAD(Rho)| 0.3133365E-15 GRAD(Rho)x 0.1964710E-15 GRAD(Rho)y 0.2331712E-15 GRAD(Rho)z 0.7218076E-16 Laplacian 0.5740431E+00 (-1/4)Del**2(Rho)) -0.1435108E+00 Diamond 0.1119537E+01 Metallicity 0.4787722E+01 Ellipticity 0.3336372E-01 Gb(Abramov) 0.2101888E+00 Vb(Abramov) -0.2768668E+00 Hb(Abramov) -0.6667803E-01 Ex_ueg -0.5610737E-01 Ec_ueg -0.8105267E-02 Delta_ex -0.6116217E-01 Delta_ec 0.1479569E-01 Delta_et -0.1961764E+00 Pxc 0.6922335E+01 Qxc -0.4133783E+01 3,-1 63 3 +3 0.004930 -0.025131 2.285363 Rho 0.4396084E-02 |GRAD(Rho)| 0.3172244E-15 GRAD(Rho)x -0.1578350E-15 GRAD(Rho)y 0.1506104E-15 GRAD(Rho)z 0.2302954E-15 Laplacian 0.1780259E-01 (-1/4)Del**2(Rho)) -0.4450646E-02 Diamond 0.1404023E-03 Metallicity 0.4566394E+00 Ellipticity -0.2648031E+00 Gb(Abramov) 0.3305821E-02 Vb(Abramov) -0.2160996E-02 Hb(Abramov) 0.1144825E-02 Ex_ueg -0.5318710E-03 Ec_ueg -0.1210171E-03 Delta_ex -0.6334256E-03 Delta_ec 0.1495862E-03 Delta_et -0.9497214E-03 Pxc 0.4395007E+01 Qxc -0.4234520E+01 3,+3 64 3 -1 -1.716017 0.528537 1.691204 Rho 0.4464331E-01 |GRAD(Rho)| 0.2426512E-12 GRAD(Rho)x 0.1556378E-12 GRAD(Rho)y 0.8481715E-13 GRAD(Rho)z -0.1657182E-12 Laplacian 0.1708890E+00 (-1/4)Del**2(Rho)) -0.4272226E-01 Diamond 0.7186861E-01 Metallicity 0.2265477E+01 Ellipticity 0.1484433E-01 Gb(Abramov) 0.4461255E-01 Vb(Abramov) -0.4650284E-01 Hb(Abramov) -0.1890294E-02 Ex_ueg -0.1169662E-01 Ec_ueg -0.2120988E-02 Delta_ex -0.1355236E-01 Delta_ec 0.4882001E-02 Delta_et -0.4992457E-01 Pxc 0.5514701E+01 Qxc -0.2775985E+01 3,-1 65 3 +1 -1.653631 0.481261 -0.554375 Rho 0.9621791E-02 |GRAD(Rho)| 0.2259778E-16 GRAD(Rho)x 0.4333302E-17 GRAD(Rho)y -0.1814086E-16 GRAD(Rho)z -0.1275897E-16 Laplacian 0.3963791E-01 (-1/4)Del**2(Rho)) -0.9909479E-02 Diamond 0.1202547E-02 Metallicity 0.7567090E+00 Ellipticity -0.1402092E+01 Gb(Abramov) 0.7856085E-02 Vb(Abramov) -0.5802690E-02 Hb(Abramov) 0.2053394E-02 Ex_ueg -0.1511447E-02 Ec_ueg -0.3509267E-03 Delta_ex -0.1850194E-02 Delta_ec 0.5343963E-03 Delta_et -0.3777422E-02 Pxc 0.4307017E+01 Qxc -0.3462214E+01 3,+1 66 3 +1 -1.243364 -2.167052 -1.207497 Rho 0.2937170E-01 |GRAD(Rho)| 0.5399482E-16 GRAD(Rho)x 0.1132120E-16 GRAD(Rho)y -0.5038633E-16 GRAD(Rho)z -0.1576353E-16 Laplacian 0.1159837E+00 (-1/4)Del**2(Rho)) -0.2899591E-01 Diamond 0.1893774E-01 Metallicity 0.1661237E+01 Ellipticity -0.4972223E+01 Gb(Abramov) 0.2735879E-01 Vb(Abramov) -0.2572167E-01 Hb(Abramov) 0.1637125E-02 Ex_ueg -0.6693047E-02 Ec_ueg -0.1311245E-02 Delta_ex -0.7532312E-02 Delta_ec 0.1967822E-02 Delta_et -0.1805898E-01 Pxc 0.5104347E+01 Qxc -0.3827741E+01 3,+1 67 3 +1 -1.711425 1.714863 -1.731293 Rho 0.1257473E-01 |GRAD(Rho)| 0.7061462E-16 GRAD(Rho)x 0.2637290E-16 GRAD(Rho)y -0.1627205E-16 GRAD(Rho)z 0.6345168E-16 Laplacian 0.6382713E-01 (-1/4)Del**2(Rho)) -0.1595678E-01 Diamond 0.2725245E-02 Metallicity 0.7341288E+00 Ellipticity -0.1256902E+01 Gb(Abramov) 0.1259024E-01 Vb(Abramov) -0.9223706E-02 Hb(Abramov) 0.3366539E-02 Ex_ueg -0.2159650E-02 Ec_ueg -0.4861652E-03 Delta_ex -0.3175911E-02 Delta_ec 0.8275801E-03 Delta_et -0.6277391E-02 Pxc 0.4442214E+01 Qxc -0.3837587E+01 3,+1 68 3 +1 -0.483383 1.657558 -0.551167 Rho 0.9633999E-02 |GRAD(Rho)| 0.1332453E-16 GRAD(Rho)x 0.1234832E-16 GRAD(Rho)y -0.4997529E-17 GRAD(Rho)z -0.2947066E-18 Laplacian 0.3959884E-01 (-1/4)Del**2(Rho)) -0.9899710E-02 Diamond 0.1198124E-02 Metallicity 0.7590582E+00 Ellipticity -0.1400431E+01 Gb(Abramov) 0.7852216E-02 Vb(Abramov) -0.5804722E-02 Hb(Abramov) 0.2047494E-02 Ex_ueg -0.1514005E-02 Ec_ueg -0.3514783E-03 Delta_ex -0.1846913E-02 Delta_ec 0.5301906E-03 Delta_et -0.3751894E-02 Pxc 0.4307533E+01 Qxc -0.3483489E+01 3,+1 69 3 +1 -0.193967 -2.879904 -0.175124 Rho 0.5653042E-02 |GRAD(Rho)| 0.4428182E-14 GRAD(Rho)x -0.2971884E-14 GRAD(Rho)y -0.2910701E-15 GRAD(Rho)z -0.3269859E-14 Laplacian 0.2383204E-01 (-1/4)Del**2(Rho)) -0.5958009E-02 Diamond 0.6054935E-03 Metallicity 0.5187073E+00 Ellipticity -0.2268124E+01 Gb(Abramov) 0.4487083E-02 Vb(Abramov) -0.3016157E-02 Hb(Abramov) 0.1470926E-02 Ex_ueg -0.7437518E-03 Ec_ueg -0.1751232E-03 Delta_ex -0.1174129E-02 Delta_ec 0.6800361E-03 Delta_et -0.3859706E-02 Pxc 0.4247020E+01 Qxc -0.1726569E+01 3,+1 70 3 +1 -0.500582 -1.681714 0.506746 Rho 0.8684591E-02 |GRAD(Rho)| 0.2639711E-14 GRAD(Rho)x 0.3409865E-15 GRAD(Rho)y 0.1893191E-14 GRAD(Rho)z -0.1807658E-14 Laplacian 0.3426058E-01 (-1/4)Del**2(Rho)) -0.8565144E-02 Diamond 0.9214177E-03 Metallicity 0.7380188E+00 Ellipticity -0.1429211E+01 Gb(Abramov) 0.6763636E-02 Vb(Abramov) -0.4962127E-02 Hb(Abramov) 0.1801509E-02 Ex_ueg -0.1318411E-02 Ec_ueg -0.3087665E-03 Delta_ex -0.1565593E-02 Delta_ec 0.4759459E-03 Delta_et -0.3266251E-02 Pxc 0.4269929E+01 Qxc -0.3289436E+01 3,+1 71 3 +3 -1.054924 -1.078707 1.115783 Rho 0.4847450E-02 |GRAD(Rho)| 0.2126190E-17 GRAD(Rho)x 0.1843950E-17 GRAD(Rho)y 0.6123706E-18 GRAD(Rho)z -0.8634448E-18 Laplacian 0.1881205E-01 (-1/4)Del**2(Rho)) -0.4703012E-02 Diamond 0.1261241E-03 Metallicity 0.5085878E+00 Ellipticity -0.1081403E+00 Gb(Abramov) 0.3533991E-02 Vb(Abramov) -0.2364969E-02 Hb(Abramov) 0.1169022E-02 Ex_ueg -0.6059026E-03 Ec_ueg -0.1403539E-03 Delta_ex -0.6445862E-03 Delta_ec 0.8323350E-04 Delta_et -0.6543655E-03 Pxc 0.4316964E+01 Qxc -0.7744312E+01 3,+3 72 3 +1 -1.727482 -1.741008 1.760957 Rho 0.1221800E-01 |GRAD(Rho)| 0.4821229E-15 GRAD(Rho)x -0.3401705E-15 GRAD(Rho)y 0.3336685E-15 GRAD(Rho)z -0.7342939E-16 Laplacian 0.6189833E-01 (-1/4)Del**2(Rho)) -0.1547458E-01 Diamond 0.2548956E-02 Metallicity 0.7215522E+00 Ellipticity -0.1244007E+01 Gb(Abramov) 0.1217734E-01 Vb(Abramov) -0.8880101E-02 Hb(Abramov) 0.3297241E-02 Ex_ueg -0.2078349E-02 Ec_ueg -0.4696420E-03 Delta_ex -0.3058951E-02 Delta_ec 0.8067995E-03 Delta_et -0.6073769E-02 Pxc 0.4425391E+01 Qxc -0.3791464E+01 3,+1 73 3 -1 -0.866518 -1.987134 -3.010090 Rho 0.1434519E+00 |GRAD(Rho)| 0.2999928E-15 GRAD(Rho)x 0.2550586E-15 GRAD(Rho)y -0.1506092E-15 GRAD(Rho)z 0.4751516E-16 Laplacian 0.5663035E+00 (-1/4)Del**2(Rho)) -0.1415759E+00 Diamond 0.1096516E+01 Metallicity 0.4783448E+01 Ellipticity 0.3545707E-01 Gb(Abramov) 0.2072541E+00 Vb(Abramov) -0.2729322E+00 Hb(Abramov) -0.6567818E-01 Ex_ueg -0.5546173E-01 Ec_ueg -0.8025667E-02 Delta_ex -0.6024713E-01 Delta_ec 0.1469387E-01 Delta_et -0.1947200E+00 Pxc 0.6910545E+01 Qxc -0.4100153E+01 3,-1 74 3 +1 -0.173174 -0.185564 -2.866298 Rho 0.5750126E-02 |GRAD(Rho)| 0.1239890E-12 GRAD(Rho)x -0.8600411E-14 GRAD(Rho)y -0.1225966E-12 GRAD(Rho)z -0.1641264E-13 Laplacian 0.2383200E-01 (-1/4)Del**2(Rho)) -0.5957999E-02 Diamond 0.6235838E-03 Metallicity 0.5336399E+00 Ellipticity -0.2602913E+01 Gb(Abramov) 0.4501904E-02 Vb(Abramov) -0.3045809E-02 Hb(Abramov) 0.1456095E-02 Ex_ueg -0.7608310E-03 Ec_ueg -0.1793352E-03 Delta_ex -0.1181320E-02 Delta_ec 0.6856056E-03 Delta_et -0.3908556E-02 Pxc 0.4242507E+01 Qxc -0.1723032E+01 3,+1 75 3 +1 1.093181 -1.344826 2.133686 Rho 0.2584119E-01 |GRAD(Rho)| 0.8798894E-12 GRAD(Rho)x 0.6512350E-12 GRAD(Rho)y 0.5471676E-12 GRAD(Rho)z 0.2251798E-12 Laplacian 0.9989942E-01 (-1/4)Del**2(Rho)) -0.2497486E-01 Diamond 0.1343798E-01 Metallicity 0.1558013E+01 Ellipticity -0.3693244E+01 Gb(Abramov) 0.2313509E-01 Vb(Abramov) -0.2129533E-01 Hb(Abramov) 0.1839761E-02 Ex_ueg -0.5642459E-02 Ec_ueg -0.1131159E-02 Delta_ex -0.6243812E-02 Delta_ec 0.1651272E-02 Delta_et -0.1470338E-01 Pxc 0.4988208E+01 Qxc -0.3781214E+01 3,+1 76 3 +1 -1.670338 -0.520047 0.492905 Rho 0.8883693E-02 |GRAD(Rho)| 0.5895409E-13 GRAD(Rho)x 0.1295883E-13 GRAD(Rho)y 0.5583107E-13 GRAD(Rho)z 0.1380380E-13 Laplacian 0.3541667E-01 (-1/4)Del**2(Rho)) -0.8854168E-02 Diamond 0.9725729E-03 Metallicity 0.7414149E+00 Ellipticity -0.1416059E+01 Gb(Abramov) 0.6996881E-02 Vb(Abramov) -0.5139593E-02 Hb(Abramov) 0.1857287E-02 Ex_ueg -0.1358865E-02 Ec_ueg -0.3176911E-03 Delta_ex -0.1623530E-02 Delta_ec 0.4844282E-03 Delta_et -0.3349973E-02 Pxc 0.4277316E+01 Qxc -0.3351437E+01 3,+1 77 3 +1 -1.210311 -1.243075 -2.193467 Rho 0.2891669E-01 |GRAD(Rho)| 0.4463661E-15 GRAD(Rho)x 0.2925312E-15 GRAD(Rho)y -0.2196457E-15 GRAD(Rho)z -0.2557811E-15 Laplacian 0.1112754E+00 (-1/4)Del**2(Rho)) -0.2781884E-01 Diamond 0.1704630E-01 Metallicity 0.1687051E+01 Ellipticity -0.4037458E+01 Gb(Abramov) 0.2636786E-01 Vb(Abramov) -0.2491689E-01 Hb(Abramov) 0.1450978E-02 Ex_ueg -0.6555157E-02 Ec_ueg -0.1287865E-02 Delta_ex -0.7130354E-02 Delta_ec 0.1770416E-02 Delta_et -0.1620126E-01 Pxc 0.5089941E+01 Qxc -0.4027502E+01 3,+1 78 3 -1 -0.537403 1.778170 -2.767455 Rho 0.1418832E+00 |GRAD(Rho)| 0.2825218E-15 GRAD(Rho)x -0.1848700E-15 GRAD(Rho)y 0.1428436E-16 GRAD(Rho)z -0.2131609E-15 Laplacian 0.6010786E+00 (-1/4)Del**2(Rho)) -0.1502697E+00 Diamond 0.1143467E+01 Metallicity 0.4424867E+01 Ellipticity 0.8872100E-02 Gb(Abramov) 0.2110003E+00 Vb(Abramov) -0.2717310E+00 Hb(Abramov) -0.6073065E-01 Ex_ueg -0.5465456E-01 Ec_ueg -0.7925964E-02 Delta_ex -0.6372085E-01 Delta_ec 0.1554011E-01 Delta_et -0.2053885E+00 Pxc 0.6895635E+01 Qxc -0.4100413E+01 3,-1 79 3 +1 1.665896 -0.478888 -0.559395 Rho 0.9832372E-02 |GRAD(Rho)| 0.1538368E-11 GRAD(Rho)x -0.1157168E-12 GRAD(Rho)y 0.1241141E-11 GRAD(Rho)z -0.9015304E-12 Laplacian 0.4027591E-01 (-1/4)Del**2(Rho)) -0.1006898E-01 Diamond 0.1243089E-02 Metallicity 0.7720848E+00 Ellipticity -0.1403572E+01 Gb(Abramov) 0.8008335E-02 Vb(Abramov) -0.5947693E-02 Hb(Abramov) 0.2060641E-02 Ex_ueg -0.1555713E-02 Ec_ueg -0.3604518E-03 Delta_ex -0.1884654E-02 Delta_ec 0.5325705E-03 Delta_et -0.3793547E-02 Pxc 0.4316008E+01 Qxc -0.3538787E+01 3,+1 80 3 -1 -0.524736 1.709557 1.688912 Rho 0.4548810E-01 |GRAD(Rho)| 0.2657817E-15 GRAD(Rho)x 0.9247397E-16 GRAD(Rho)y 0.6266307E-16 GRAD(Rho)z 0.2411676E-15 Laplacian 0.1741114E+00 (-1/4)Del**2(Rho)) -0.4352784E-01 Diamond 0.7523752E-01 Metallicity 0.2294118E+01 Ellipticity 0.1525301E-01 Gb(Abramov) 0.4566156E-01 Vb(Abramov) -0.4779528E-01 Hb(Abramov) -0.2133720E-02 Ex_ueg -0.1199266E-01 Ec_ueg -0.2167034E-02 Delta_ex -0.1387929E-01 Delta_ec 0.4984042E-02 Delta_et -0.5122153E-01 Pxc 0.5534136E+01 Qxc -0.2784746E+01 3,-1 81 3 +3 0.040628 2.307127 -0.024565 Rho 0.5060142E-02 |GRAD(Rho)| 0.4732302E-17 GRAD(Rho)x -0.1141554E-17 GRAD(Rho)y 0.1102963E-17 GRAD(Rho)z -0.4458139E-17 Laplacian 0.2138542E-01 (-1/4)Del**2(Rho)) -0.5346356E-02 Diamond 0.2139829E-03 Metallicity 0.4805809E+00 Ellipticity -0.3104807E+00 Gb(Abramov) 0.3992463E-02 Vb(Abramov) -0.2638571E-02 Hb(Abramov) 0.1353893E-02 Ex_ueg -0.6416064E-03 Ec_ueg -0.1495019E-03 Delta_ex -0.7981294E-03 Delta_ec 0.1956522E-03 Delta_et -0.1259278E-02 Pxc 0.4291628E+01 Qxc -0.4079328E+01 3,+3 82 3 +1 -1.226527 1.211960 2.132660 Rho 0.2734989E-01 |GRAD(Rho)| 0.3066273E-10 GRAD(Rho)x -0.2287832E-10 GRAD(Rho)y -0.1862952E-10 GRAD(Rho)z 0.8350223E-11 Laplacian 0.1067884E+00 (-1/4)Del**2(Rho)) -0.2669711E-01 Diamond 0.1620251E-01 Metallicity 0.1602071E+01 Ellipticity -0.5385431E+01 Gb(Abramov) 0.2492652E-01 Vb(Abramov) -0.2315592E-01 Hb(Abramov) 0.1770594E-02 Ex_ueg -0.6085915E-02 Ec_ueg -0.1207740E-02 Delta_ex -0.6841620E-02 Delta_ec 0.1880307E-02 Delta_et -0.1695254E-01 Pxc 0.5039093E+01 Qxc -0.3638565E+01 3,+1 83 3 +1 -0.506317 0.506586 -1.682547 Rho 0.9462523E-02 |GRAD(Rho)| 0.9400729E-17 GRAD(Rho)x -0.6489752E-17 GRAD(Rho)y -0.4607570E-17 GRAD(Rho)z -0.5002711E-17 Laplacian 0.3783711E-01 (-1/4)Del**2(Rho)) -0.9459278E-02 Diamond 0.1118848E-02 Metallicity 0.7709746E+00 Ellipticity -0.1424595E+01 Gb(Abramov) 0.7521662E-02 Vb(Abramov) -0.5584047E-02 Hb(Abramov) 0.1937615E-02 Ex_ueg -0.1478181E-02 Ec_ueg -0.3437351E-03 Delta_ex -0.1757301E-02 Delta_ec 0.5078567E-03 Delta_et -0.3576597E-02 Pxc 0.4300350E+01 Qxc -0.3460230E+01 3,+1 84 3 +3 0.007331 -0.005156 -2.333894 Rho 0.5118554E-02 |GRAD(Rho)| 0.1081123E-11 GRAD(Rho)x 0.1081931E-12 GRAD(Rho)y -0.1068639E-11 GRAD(Rho)z -0.1230141E-12 Laplacian 0.2120463E-01 (-1/4)Del**2(Rho)) -0.5301158E-02 Diamond 0.2171989E-03 Metallicity 0.4940389E+00 Ellipticity -0.2557717E+00 Gb(Abramov) 0.3970602E-02 Vb(Abramov) -0.2640045E-02 Hb(Abramov) 0.1330556E-02 Ex_ueg -0.6515005E-03 Ec_ueg -0.1520182E-03 Delta_ex -0.7952500E-03 Delta_ec 0.1967107E-03 Delta_et -0.1265771E-02 Pxc 0.4285674E+01 Qxc -0.4042739E+01 3,+3 85 3 -1 -0.852711 1.974657 2.979669 Rho 0.1430080E+00 |GRAD(Rho)| 0.1816056E-13 GRAD(Rho)x -0.7882678E-14 GRAD(Rho)y -0.1467271E-13 GRAD(Rho)z -0.7237456E-14 Laplacian 0.5673798E+00 (-1/4)Del**2(Rho)) -0.1418449E+00 Diamond 0.1091363E+01 Metallicity 0.4749775E+01 Ellipticity 0.3186009E-01 Gb(Abramov) 0.2068519E+00 Vb(Abramov) -0.2718588E+00 Hb(Abramov) -0.6500694E-01 Ex_ueg -0.5523301E-01 Ec_ueg -0.7997436E-02 Delta_ex -0.6028256E-01 Delta_ec 0.1467314E-01 Delta_et -0.1942280E+00 Pxc 0.6906339E+01 Qxc -0.4108361E+01 3,-1 86 3 -1 -0.534685 2.741744 -1.787534 Rho 0.1300750E+00 |GRAD(Rho)| 0.6527318E-15 GRAD(Rho)x -0.1468281E-15 GRAD(Rho)y 0.8085438E-16 GRAD(Rho)z 0.6308430E-15 Laplacian 0.5446155E+00 (-1/4)Del**2(Rho)) -0.1361539E+00 Diamond 0.9434392E+00 Metallicity 0.4225191E+01 Ellipticity 0.1506407E-01 Gb(Abramov) 0.1866486E+00 Vb(Abramov) -0.2371433E+00 Hb(Abramov) -0.5049473E-01 Ex_ueg -0.4867548E-01 Ec_ueg -0.7180508E-02 Delta_ex -0.5665388E-01 Delta_ec 0.1459538E-01 Delta_et -0.1906987E+00 Pxc 0.6778836E+01 Qxc -0.3881631E+01 3,-1 87 3 +1 -0.125616 2.872443 0.140335 Rho 0.5887764E-02 |GRAD(Rho)| 0.6265283E-17 GRAD(Rho)x -0.6262205E-17 GRAD(Rho)y -0.1849247E-18 GRAD(Rho)z 0.6612167E-19 Laplacian 0.2462408E-01 (-1/4)Del**2(Rho)) -0.6156019E-02 Diamond 0.7386059E-03 Metallicity 0.5372427E+00 Ellipticity -0.6094805E+01 Gb(Abramov) 0.4655226E-02 Vb(Abramov) -0.3154432E-02 Hb(Abramov) 0.1500794E-02 Ex_ueg -0.7852095E-03 Ec_ueg -0.1853147E-03 Delta_ex -0.1281313E-02 Delta_ec 0.8063102E-03 Delta_et -0.4586621E-02 Pxc 0.4237168E+01 Qxc -0.1589107E+01 3,+1 88 3 +1 -1.057324 2.146812 1.360263 Rho 0.2943321E-01 |GRAD(Rho)| 0.2167755E-16 GRAD(Rho)x 0.8821186E-17 GRAD(Rho)y -0.1442562E-16 GRAD(Rho)z 0.1356483E-16 Laplacian 0.1132148E+00 (-1/4)Del**2(Rho)) -0.2830369E-01 Diamond 0.1582380E-01 Metallicity 0.1707810E+01 Ellipticity -0.2571783E+01 Gb(Abramov) 0.2692535E-01 Vb(Abramov) -0.2554700E-01 Hb(Abramov) 0.1378345E-02 Ex_ueg -0.6711741E-02 Ec_ueg -0.1314409E-02 Delta_ex -0.7119439E-02 Delta_ec 0.1497335E-02 Delta_et -0.1379288E-01 Pxc 0.5106282E+01 Qxc -0.4754740E+01 3,+1 89 3 -1 0.545692 -2.750530 -1.780754 Rho 0.1334034E+00 |GRAD(Rho)| 0.9699428E-10 GRAD(Rho)x 0.5388876E-10 GRAD(Rho)y -0.3647907E-10 GRAD(Rho)z 0.7192475E-10 Laplacian 0.5584807E+00 (-1/4)Del**2(Rho)) -0.1396202E+00 Diamond 0.9969989E+00 Metallicity 0.4297508E+01 Ellipticity 0.1587896E-01 Gb(Abramov) 0.1930833E+00 Vb(Abramov) -0.2465463E+00 Hb(Abramov) -0.5346308E-01 Ex_ueg -0.5034323E-01 Ec_ueg -0.7389717E-02 Delta_ex -0.5844700E-01 Delta_ec 0.1487158E-01 Delta_et -0.1951058E+00 Pxc 0.6812606E+01 Qxc -0.3930113E+01 3,-1 90 3 +1 0.492595 -1.659708 -0.549561 Rho 0.9762746E-02 |GRAD(Rho)| 0.3261934E-15 GRAD(Rho)x 0.1711481E-15 GRAD(Rho)y -0.2757067E-15 GRAD(Rho)z -0.3311021E-16 Laplacian 0.3984301E-01 (-1/4)Del**2(Rho)) -0.9960752E-02 Diamond 0.1214515E-02 Metallicity 0.7712841E+00 Ellipticity -0.1401999E+01 Gb(Abramov) 0.7920930E-02 Vb(Abramov) -0.5881107E-02 Hb(Abramov) 0.2039822E-02 Ex_ueg -0.1541042E-02 Ec_ueg -0.3573004E-03 Delta_ex -0.1859707E-02 Delta_ec 0.5245869E-03 Delta_et -0.3731907E-02 Pxc 0.4313015E+01 Qxc -0.3545088E+01 3,+1 91 3 +3 -0.031412 -2.317519 -0.000991 Rho 0.4985790E-02 |GRAD(Rho)| 0.6634126E-17 GRAD(Rho)x -0.4006196E-17 GRAD(Rho)y -0.2224412E-17 GRAD(Rho)z 0.4797292E-17 Laplacian 0.2093101E-01 (-1/4)Del**2(Rho)) -0.5232752E-02 Diamond 0.2085009E-03 Metallicity 0.4790487E+00 Ellipticity -0.2793386E+00 Gb(Abramov) 0.3906292E-02 Vb(Abramov) -0.2579832E-02 Hb(Abramov) 0.1326460E-02 Ex_ueg -0.6290672E-03 Ec_ueg -0.1463013E-03 Delta_ex -0.7812107E-03 Delta_ec 0.1968817E-03 Delta_et -0.1255254E-02 Pxc 0.4299805E+01 Qxc -0.3967920E+01 3,+3 92 3 +1 0.145136 -2.870766 0.175850 Rho 0.5718684E-02 |GRAD(Rho)| 0.2334231E-16 GRAD(Rho)x -0.1618337E-16 GRAD(Rho)y 0.1374399E-17 GRAD(Rho)z 0.1676523E-16 Laplacian 0.2404443E-01 (-1/4)Del**2(Rho)) -0.6011109E-02 Diamond 0.6660307E-03 Metallicity 0.5241136E+00 Ellipticity -0.3403085E+01 Gb(Abramov) 0.4532490E-02 Vb(Abramov) -0.3053871E-02 Hb(Abramov) 0.1478619E-02 Ex_ueg -0.7552891E-03 Ec_ueg -0.1779706E-03 Delta_ex -0.1222754E-02 Delta_ec 0.7492606E-03 Delta_et -0.4239479E-02 Pxc 0.4243898E+01 Qxc -0.1631948E+01 3,+1 93 3 -1 0.840998 -2.968085 2.008455 Rho 0.1195125E+00 |GRAD(Rho)| 0.1040470E-15 GRAD(Rho)x -0.6186729E-17 GRAD(Rho)y -0.1470788E-16 GRAD(Rho)z 0.1028162E-15 Laplacian 0.4757103E+00 (-1/4)Del**2(Rho)) -0.1189276E+00 Diamond 0.7322626E+00 Metallicity 0.4200419E+01 Ellipticity 0.4568516E-01 Gb(Abramov) 0.1625426E+00 Vb(Abramov) -0.2061577E+00 Hb(Abramov) -0.4361507E-01 Ex_ueg -0.4347797E-01 Ec_ueg -0.6521511E-02 Delta_ex -0.4833334E-01 Delta_ec 0.1271377E-01 Delta_et -0.1632393E+00 Pxc 0.6666855E+01 Qxc -0.3801651E+01 3,-1 94 3 +1 0.519618 -0.515381 -1.682689 Rho 0.9414467E-02 |GRAD(Rho)| 0.1397584E-14 GRAD(Rho)x -0.6396937E-15 GRAD(Rho)y -0.1178845E-14 GRAD(Rho)z -0.3928844E-15 Laplacian 0.3756493E-01 (-1/4)Del**2(Rho)) -0.9391232E-02 Diamond 0.1100979E-02 Metallicity 0.7699990E+00 Ellipticity -0.1422661E+01 Gb(Abramov) 0.7466028E-02 Vb(Abramov) -0.5540824E-02 Hb(Abramov) 0.1925204E-02 Ex_ueg -0.1468180E-02 Ec_ueg -0.3415674E-03 Delta_ex -0.1741528E-02 Delta_ec 0.5026890E-03 Delta_et -0.3536912E-02 Pxc 0.4298363E+01 Qxc -0.3464424E+01 3,+1 95 3 +3 1.080866 -1.080340 -1.127969 Rho 0.5467872E-02 |GRAD(Rho)| 0.7433284E-14 GRAD(Rho)x -0.3408197E-14 GRAD(Rho)y 0.4138923E-14 GRAD(Rho)z 0.5148516E-14 Laplacian 0.2193132E-01 (-1/4)Del**2(Rho)) -0.5482831E-02 Diamond 0.1682776E-03 Metallicity 0.5332271E+00 Ellipticity -0.1584327E+00 Gb(Abramov) 0.4142486E-02 Vb(Abramov) -0.2802142E-02 Hb(Abramov) 0.1340345E-02 Ex_ueg -0.7114475E-03 Ec_ueg -0.1671025E-03 Delta_ex -0.7728162E-03 Delta_ec 0.8945622E-04 Delta_et -0.7394333E-03 Pxc 0.4257552E+01 Qxc -0.8639043E+01 3,+3 96 3 +1 0.983655 -2.133053 1.449411 Rho 0.2731531E-01 |GRAD(Rho)| 0.8117627E-16 GRAD(Rho)x 0.1443563E-18 GRAD(Rho)y 0.6880996E-16 GRAD(Rho)z -0.4306688E-16 Laplacian 0.1077166E+00 (-1/4)Del**2(Rho)) -0.2692915E-01 Diamond 0.1236286E-01 Metallicity 0.1584920E+01 Ellipticity -0.1940768E+01 Gb(Abramov) 0.2506619E-01 Vb(Abramov) -0.2320324E-01 Hb(Abramov) 0.1862958E-02 Ex_ueg -0.6075657E-02 Ec_ueg -0.1205978E-02 Delta_ex -0.6517350E-02 Delta_ec 0.1215689E-02 Delta_et -0.1106618E-01 Pxc 0.5037948E+01 Qxc -0.5361033E+01 3,+1 97 3 +3 -1.072635 1.074465 -1.123438 Rho 0.5399888E-02 |GRAD(Rho)| 0.3484462E-17 GRAD(Rho)x 0.1117814E-17 GRAD(Rho)y 0.1908517E-17 GRAD(Rho)z -0.2692495E-17 Laplacian 0.2188052E-01 (-1/4)Del**2(Rho)) -0.5470130E-02 Diamond 0.1677561E-03 Metallicity 0.5234359E+00 Ellipticity -0.1744919E+00 Gb(Abramov) 0.4123964E-02 Vb(Abramov) -0.2777797E-02 Hb(Abramov) 0.1346166E-02 Ex_ueg -0.6996778E-03 Ec_ueg -0.1641620E-03 Delta_ex -0.7706102E-03 Delta_ec 0.9333147E-04 Delta_et -0.7573104E-03 Pxc 0.4262118E+01 Qxc -0.8256703E+01 3,+3 98 3 +3 1.077230 1.075482 1.096930 Rho 0.4988181E-02 |GRAD(Rho)| 0.3950524E-17 GRAD(Rho)x 0.2418118E-17 GRAD(Rho)y -0.2984330E-17 GRAD(Rho)z -0.9236439E-18 Laplacian 0.1946847E-01 (-1/4)Del**2(Rho)) -0.4867118E-02 Diamond 0.1341452E-03 Metallicity 0.5154481E+00 Ellipticity -0.9757739E-01 Gb(Abramov) 0.3662870E-02 Vb(Abramov) -0.2458622E-02 Hb(Abramov) 0.1204248E-02 Ex_ueg -0.6294694E-03 Ec_ueg -0.1464042E-03 Delta_ex -0.6709046E-03 Delta_ec 0.8348264E-04 Delta_et -0.6672181E-03 Pxc 0.4299531E+01 Qxc -0.8036456E+01 3,+3 99 3 -1 0.834971 -1.976992 2.998383 Rho 0.1335367E+00 |GRAD(Rho)| 0.2093753E-15 GRAD(Rho)x -0.1247239E-15 GRAD(Rho)y 0.1548986E-15 GRAD(Rho)z -0.6548581E-16 Laplacian 0.5262212E+00 (-1/4)Del**2(Rho)) -0.1315553E+00 Diamond 0.9210993E+00 Metallicity 0.4568556E+01 Ellipticity 0.4431255E-01 Gb(Abramov) 0.1878732E+00 Vb(Abramov) -0.2441910E+00 Hb(Abramov) -0.5631787E-01 Ex_ueg -0.5041027E-01 Ec_ueg -0.7398106E-02 Delta_ex -0.5485809E-01 Delta_ec 0.1360557E-01 Delta_et -0.1777571E+00 Pxc 0.6813943E+01 Qxc -0.4032033E+01 3,-1 100 3 -1 0.526783 -1.715959 1.711004 Rho 0.3872251E-01 |GRAD(Rho)| 0.1250687E-13 GRAD(Rho)x -0.4557413E-14 GRAD(Rho)y -0.7935347E-14 GRAD(Rho)z 0.8525373E-14 Laplacian 0.1537999E+00 (-1/4)Del**2(Rho)) -0.3844999E-01 Diamond 0.5513241E-01 Metallicity 0.1985772E+01 Ellipticity 0.2052816E-01 Gb(Abramov) 0.3835881E-01 Vb(Abramov) -0.3826763E-01 Hb(Abramov) 0.9117695E-04 Ex_ueg -0.9675416E-02 Ec_ueg -0.1801705E-02 Delta_ex -0.1188098E-01 Delta_ec 0.4596635E-02 Delta_et -0.4528434E-01 Pxc 0.5370146E+01 Qxc -0.2584712E+01 3,-1 101 3 -1 0.552698 -1.788764 -2.766373 Rho 0.1431558E+00 |GRAD(Rho)| 0.4413532E-09 GRAD(Rho)x 0.2910736E-09 GRAD(Rho)y 0.3176031E-09 GRAD(Rho)z -0.9590166E-10 Laplacian 0.6061007E+00 (-1/4)Del**2(Rho)) -0.1515252E+00 Diamond 0.1164604E+01 Metallicity 0.4453995E+01 Ellipticity 0.8895459E-02 Gb(Abramov) 0.2134988E+00 Vb(Abramov) -0.2754725E+00 Hb(Abramov) -0.6197367E-01 Ex_ueg -0.5530913E-01 Ec_ueg -0.8006834E-02 Delta_ex -0.6438430E-01 Delta_ec 0.1561971E-01 Delta_et -0.2066808E+00 Pxc 0.6907741E+01 Qxc -0.4121989E+01 3,-1 102 3 +1 1.718137 -1.721171 -1.724618 Rho 0.1250783E-01 |GRAD(Rho)| 0.5811399E-15 GRAD(Rho)x 0.1730614E-15 GRAD(Rho)y -0.3138453E-15 GRAD(Rho)z 0.4574653E-15 Laplacian 0.6341931E-01 (-1/4)Del**2(Rho)) -0.1585483E-01 Diamond 0.2686227E-02 Metallicity 0.7323099E+00 Ellipticity -0.1253449E+01 Gb(Abramov) 0.1250499E-01 Vb(Abramov) -0.9155158E-02 Hb(Abramov) 0.3349835E-02 Ex_ueg -0.2144343E-02 Ec_ueg -0.4830627E-03 Delta_ex -0.3150658E-02 Delta_ec 0.8213869E-03 Delta_et -0.6223009E-02 Pxc 0.4439058E+01 Qxc -0.3835779E+01 3,+1 103 3 +1 -0.510203 -0.539623 1.664087 Rho 0.7707822E-02 |GRAD(Rho)| 0.1336596E-16 GRAD(Rho)x 0.6820819E-17 GRAD(Rho)y 0.2971248E-17 GRAD(Rho)z -0.1110391E-16 Laplacian 0.2989190E-01 (-1/4)Del**2(Rho)) -0.7472974E-02 Diamond 0.6887695E-03 Metallicity 0.6933393E+00 Ellipticity -0.1408960E+01 Gb(Abramov) 0.5845534E-02 Vb(Abramov) -0.4218093E-02 Hb(Abramov) 0.1627440E-02 Ex_ueg -0.1124503E-02 Ec_ueg -0.2652401E-03 Delta_ex -0.1328248E-02 Delta_ec 0.4203186E-03 Delta_et -0.2793059E-02 Pxc 0.4239566E+01 Qxc -0.3160098E+01 3,+1 104 3 +1 1.232616 1.224111 -2.195815 Rho 0.2909618E-01 |GRAD(Rho)| 0.4303487E-16 GRAD(Rho)x 0.1287095E-16 GRAD(Rho)y 0.8063213E-17 GRAD(Rho)z -0.4026566E-16 Laplacian 0.1122774E+00 (-1/4)Del**2(Rho)) -0.2806934E-01 Diamond 0.1739614E-01 Metallicity 0.1689329E+01 Ellipticity -0.4102099E+01 Gb(Abramov) 0.2661595E-01 Vb(Abramov) -0.2516256E-01 Hb(Abramov) 0.1453388E-02 Ex_ueg -0.6609466E-02 Ec_ueg -0.1297082E-02 Delta_ex -0.7211016E-02 Delta_ec 0.1794092E-02 Delta_et -0.1644056E-01 Pxc 0.5095642E+01 Qxc -0.4019313E+01 3,+1 105 3 +1 0.187808 0.176330 -2.866586 Rho 0.5743896E-02 |GRAD(Rho)| 0.1335901E-12 GRAD(Rho)x -0.1327944E-12 GRAD(Rho)y 0.3917896E-15 GRAD(Rho)z 0.1455382E-13 Laplacian 0.2382668E-01 (-1/4)Del**2(Rho)) -0.5956670E-02 Diamond 0.6184949E-03 Metallicity 0.5327955E+00 Ellipticity -0.2513719E+01 Gb(Abramov) 0.4500061E-02 Vb(Abramov) -0.3043452E-02 Hb(Abramov) 0.1456609E-02 Ex_ueg -0.7597321E-03 Ec_ueg -0.1790648E-03 Delta_ex -0.1177678E-02 Delta_ec 0.6798851E-03 Delta_et -0.3877119E-02 Pxc 0.4242777E+01 Qxc -0.1732173E+01 3,+1 106 3 -1 1.708110 1.704705 -0.543143 Rho 0.4968233E-01 |GRAD(Rho)| 0.1286799E-15 GRAD(Rho)x 0.8924339E-16 GRAD(Rho)y 0.8397866E-16 GRAD(Rho)z 0.3926464E-16 Laplacian 0.1931679E+00 (-1/4)Del**2(Rho)) -0.4829197E-01 Diamond 0.9423828E-01 Metallicity 0.2395235E+01 Ellipticity 0.6837507E-02 Gb(Abramov) 0.5147308E-01 Vb(Abramov) -0.5465419E-01 Hb(Abramov) -0.3181112E-02 Ex_ueg -0.1348924E-01 Ec_ueg -0.2397322E-02 Delta_ex -0.1575123E-01 Delta_ec 0.5535582E-02 Delta_et -0.5821301E-01 Pxc 0.5626798E+01 Qxc -0.2845451E+01 3,-1 107 3 +1 1.730076 1.736627 1.745849 Rho 0.1233107E-01 |GRAD(Rho)| 0.2172227E-16 GRAD(Rho)x -0.1795796E-16 GRAD(Rho)y 0.1102240E-16 GRAD(Rho)z 0.5279725E-17 Laplacian 0.6238425E-01 (-1/4)Del**2(Rho)) -0.1559606E-01 Diamond 0.2589387E-02 Metallicity 0.7270087E+00 Ellipticity -0.1243883E+01 Gb(Abramov) 0.1228712E-01 Vb(Abramov) -0.8978178E-02 Hb(Abramov) 0.3308942E-02 Ex_ueg -0.2104034E-02 Ec_ueg -0.4748740E-03 Delta_ex -0.3087060E-02 Delta_ec 0.8070388E-03 Delta_et -0.6093859E-02 Pxc 0.4430722E+01 Qxc -0.3825170E+01 3,+1 108 3 +1 0.517571 1.674498 0.489592 Rho 0.8948523E-02 |GRAD(Rho)| 0.9854264E-17 GRAD(Rho)x 0.7390679E-17 GRAD(Rho)y 0.5259462E-17 GRAD(Rho)z -0.3849992E-17 Laplacian 0.3558490E-01 (-1/4)Del**2(Rho)) -0.8896224E-02 Diamond 0.9817532E-03 Metallicity 0.7469068E+00 Ellipticity -0.1415957E+01 Gb(Abramov) 0.7038258E-02 Vb(Abramov) -0.5180291E-02 Hb(Abramov) 0.1857966E-02 Ex_ueg -0.1372104E-02 Ec_ueg -0.3206008E-03 Delta_ex -0.1632058E-02 Delta_ec 0.4827769E-03 Delta_et -0.3348001E-02 Pxc 0.4279788E+01 Qxc -0.3380564E+01 3,+1 109 3 +1 1.267280 2.161972 -1.198135 Rho 0.2946416E-01 |GRAD(Rho)| 0.4201749E-16 GRAD(Rho)x -0.6654226E-17 GRAD(Rho)y 0.3961563E-16 GRAD(Rho)z -0.1232040E-16 Laplacian 0.1162628E+00 (-1/4)Del**2(Rho)) -0.2906569E-01 Diamond 0.1895938E-01 Metallicity 0.1665952E+01 Ellipticity -0.4798982E+01 Gb(Abramov) 0.2744747E-01 Vb(Abramov) -0.2582925E-01 Hb(Abramov) 0.1618220E-02 Ex_ueg -0.6721153E-02 Ec_ueg -0.1316001E-02 Delta_ex -0.7547568E-02 Delta_ec 0.1955995E-02 Delta_et -0.1796559E-01 Pxc 0.5107255E+01 Qxc -0.3858685E+01 3,+1 110 3 +3 2.335465 0.055520 -0.030476 Rho 0.5035103E-02 |GRAD(Rho)| 0.8460463E-17 GRAD(Rho)x -0.1737830E-17 GRAD(Rho)y 0.9413233E-18 GRAD(Rho)z 0.8226378E-17 Laplacian 0.2121517E-01 (-1/4)Del**2(Rho)) -0.5303794E-02 Diamond 0.2184466E-03 Metallicity 0.4804488E+00 Ellipticity -0.3107911E+00 Gb(Abramov) 0.3960563E-02 Vb(Abramov) -0.2617332E-02 Hb(Abramov) 0.1343231E-02 Ex_ueg -0.6373767E-03 Ec_ueg -0.1484237E-03 Delta_ex -0.7977487E-03 Delta_ec 0.2065674E-03 Delta_et -0.1310626E-02 Pxc 0.4294305E+01 Qxc -0.3861929E+01 3,+3 111 3 +1 2.166234 1.256918 -1.199675 Rho 0.2945664E-01 |GRAD(Rho)| 0.1162103E-13 GRAD(Rho)x 0.1043069E-13 GRAD(Rho)y 0.5103205E-14 GRAD(Rho)z -0.4543071E-15 Laplacian 0.1163221E+00 (-1/4)Del**2(Rho)) -0.2908053E-01 Diamond 0.1901803E-01 Metallicity 0.1664394E+01 Ellipticity -0.4896030E+01 Gb(Abramov) 0.2745393E-01 Vb(Abramov) -0.2582733E-01 Hb(Abramov) 0.1626600E-02 Ex_ueg -0.6718866E-02 Ec_ueg -0.1315614E-02 Delta_ex -0.7555757E-02 Delta_ec 0.1965662E-02 Delta_et -0.1805237E-01 Pxc 0.5107019E+01 Qxc -0.3843873E+01 3,+1 112 3 +1 2.875798 0.197244 -0.180371 Rho 0.5607826E-02 |GRAD(Rho)| 0.1761965E-16 GRAD(Rho)x 0.7926239E-18 GRAD(Rho)y -0.1209495E-16 GRAD(Rho)z -0.1278812E-16 Laplacian 0.2372509E-01 (-1/4)Del**2(Rho)) -0.5931273E-02 Diamond 0.5868197E-03 Metallicity 0.5141179E+00 Ellipticity -0.2114963E+01 Gb(Abramov) 0.4462411E-02 Vb(Abramov) -0.2993549E-02 Hb(Abramov) 0.1468862E-02 Ex_ueg -0.7358304E-03 Ec_ueg -0.1731631E-03 Delta_ex -0.1159407E-02 Delta_ec 0.6635050E-03 Delta_et -0.3762856E-02 Pxc 0.4249349E+01 Qxc -0.1747397E+01 3,+1 113 3 -1 2.760383 1.789053 0.560678 Rho 0.1425018E+00 |GRAD(Rho)| 0.5713031E-15 GRAD(Rho)x -0.1533943E-15 GRAD(Rho)y 0.3567025E-15 GRAD(Rho)z -0.4190712E-15 Laplacian 0.6036444E+00 (-1/4)Del**2(Rho)) -0.1509111E+00 Diamond 0.1154552E+01 Metallicity 0.4438123E+01 Ellipticity 0.9249161E-02 Gb(Abramov) 0.2122344E+00 Vb(Abramov) -0.2735577E+00 Hb(Abramov) -0.6132332E-01 Ex_ueg -0.5497252E-01 Ec_ueg -0.7965264E-02 Delta_ex -0.6406275E-01 Delta_ec 0.1559343E-01 Delta_et -0.2062347E+00 Pxc 0.6901531E+01 Qxc -0.4108317E+01 3,-1 114 3 -1 2.983608 1.972078 -0.862528 Rho 0.1415569E+00 |GRAD(Rho)| 0.2620192E-15 GRAD(Rho)x -0.1386830E-15 GRAD(Rho)y 0.1207666E-15 GRAD(Rho)z -0.1866454E-15 Laplacian 0.5581227E+00 (-1/4)Del**2(Rho)) -0.1395307E+00 Diamond 0.1063752E+01 Metallicity 0.4747177E+01 Ellipticity 0.3281158E-01 Gb(Abramov) 0.2034166E+00 Vb(Abramov) -0.2673025E+00 Hb(Abramov) -0.6388591E-01 Ex_ueg -0.5448705E-01 Ec_ueg -0.7905247E-02 Delta_ex -0.5918697E-01 Delta_ec 0.1453244E-01 Delta_et -0.1922041E+00 Pxc 0.6892517E+01 Qxc -0.4072748E+01 3,-1 115 3 -1 1.704919 0.537085 -1.725820 Rho 0.5231395E-01 |GRAD(Rho)| 0.1502350E-14 GRAD(Rho)x 0.1130395E-14 GRAD(Rho)y 0.7493086E-16 GRAD(Rho)z -0.9867362E-15 Laplacian 0.2045171E+00 (-1/4)Del**2(Rho)) -0.5112927E-01 Diamond 0.1071820E+00 Metallicity 0.2465544E+01 Ellipticity 0.8409970E-02 Gb(Abramov) 0.5509643E-01 Vb(Abramov) -0.5906359E-01 Hb(Abramov) -0.3967157E-02 Ex_ueg -0.1445024E-01 Ec_ueg -0.2543174E-02 Delta_ex -0.1690292E-01 Delta_ec 0.5869333E-02 Delta_et -0.6255157E-01 Pxc 0.5681971E+01 Qxc -0.2879871E+01 3,-1 116 3 -1 -3.166752 -3.178391 0.054330 Rho 0.2533853E+00 |GRAD(Rho)| 0.4838862E-15 GRAD(Rho)x 0.3961675E-15 GRAD(Rho)y 0.2171657E-15 GRAD(Rho)z -0.1733097E-15 Laplacian 0.9308709E+00 (-1/4)Del**2(Rho)) -0.2327177E+00 Diamond 0.3490393E+01 Metallicity 0.7510913E+01 Ellipticity 0.1588882E-02 Gb(Abramov) 0.4464656E+00 Vb(Abramov) -0.6602135E+00 Hb(Abramov) -0.2137479E+00 Ex_ueg -0.1184205E+00 Ec_ueg -0.1536930E-01 Delta_ex -0.1139592E+00 Delta_ec 0.2001779E-01 Delta_et -0.2766726E+00 Pxc 0.7705002E+01 Qxc -0.5692897E+01 3,-1 117 3 -1 -2.714782 1.752393 -0.541181 Rho 0.1631169E+00 |GRAD(Rho)| 0.4633279E-15 GRAD(Rho)x -0.5200782E-16 GRAD(Rho)y -0.2662258E-15 GRAD(Rho)z -0.3756218E-15 Laplacian 0.6978055E+00 (-1/4)Del**2(Rho)) -0.1744514E+00 Diamond 0.1554284E+01 Metallicity 0.4808875E+01 Ellipticity 0.1557809E-01 Gb(Abramov) 0.2561201E+00 Vb(Abramov) -0.3377888E+00 Hb(Abramov) -0.8166869E-01 Ex_ueg -0.6582388E-01 Ec_ueg -0.9288402E-02 Delta_ex -0.7642115E-01 Delta_ec 0.1718266E-01 Delta_et -0.2308774E+00 Pxc 0.7086675E+01 Qxc -0.4447574E+01 3,-1 118 3 -1 -1.750573 2.718509 -0.543521 Rho 0.1593726E+00 |GRAD(Rho)| 0.1220350E-14 GRAD(Rho)x -0.3654574E-15 GRAD(Rho)y -0.1161553E-14 GRAD(Rho)z 0.8055622E-16 Laplacian 0.6779578E+00 (-1/4)Del**2(Rho)) -0.1694895E+00 Diamond 0.1469121E+01 Metallicity 0.4761751E+01 Ellipticity 0.1569913E-01 Gb(Abramov) 0.2475041E+00 Vb(Abramov) -0.3255187E+00 Hb(Abramov) -0.7801461E-01 Ex_ueg -0.6381704E-01 Ec_ueg -0.9046171E-02 Delta_ex -0.7382544E-01 Delta_ec 0.1680255E-01 Delta_et -0.2251455E+00 Pxc 0.7054591E+01 Qxc -0.4393705E+01 3,-1 119 3 -1 -1.952933 2.941409 0.853540 Rho 0.1572519E+00 |GRAD(Rho)| 0.2577851E-15 GRAD(Rho)x 0.1750715E-15 GRAD(Rho)y 0.4826055E-16 GRAD(Rho)z 0.1829591E-15 Laplacian 0.6229916E+00 (-1/4)Del**2(Rho)) -0.1557479E+00 Diamond 0.1333816E+01 Metallicity 0.5067468E+01 Ellipticity 0.3229873E-01 Gb(Abramov) 0.2353732E+00 Vb(Abramov) -0.3149984E+00 Hb(Abramov) -0.7962527E-01 Ex_ueg -0.6268732E-01 Ec_ueg -0.8909347E-02 Delta_ex -0.6766503E-01 Delta_ec 0.1558215E-01 Delta_et -0.2086591E+00 Pxc 0.7036130E+01 Qxc -0.4342472E+01 3,-1 120 3 -1 -0.859429 -2.983685 -1.986588 Rho 0.1453364E+00 |GRAD(Rho)| 0.4638102E-15 GRAD(Rho)x -0.2867037E-15 GRAD(Rho)y -0.3511731E-15 GRAD(Rho)z 0.9797122E-16 Laplacian 0.5740288E+00 (-1/4)Del**2(Rho)) -0.1435072E+00 Diamond 0.1126684E+01 Metallicity 0.4822845E+01 Ellipticity 0.3805777E-01 Gb(Abramov) 0.2110236E+00 Vb(Abramov) -0.2785400E+00 Hb(Abramov) -0.6751642E-01 Ex_ueg -0.5643529E-01 Ec_ueg -0.8145645E-02 Delta_ex -0.6123932E-01 Delta_ec 0.1480325E-01 Delta_et -0.1964544E+00 Pxc 0.6928277E+01 Qxc -0.4136882E+01 3,-1 121 3 -1 0.024718 -2.884959 0.050241 Rho 0.5735765E-02 |GRAD(Rho)| 0.1133501E-14 GRAD(Rho)x 0.9661912E-15 GRAD(Rho)y 0.3007593E-15 GRAD(Rho)z 0.5107268E-15 Laplacian 0.2355503E-01 (-1/4)Del**2(Rho)) -0.5888758E-02 Diamond 0.7604924E-03 Metallicity 0.5376691E+00 Ellipticity 0.3162177E+01 Gb(Abramov) 0.4453539E-02 Vb(Abramov) -0.3018320E-02 Hb(Abramov) 0.1435219E-02 Ex_ueg -0.7582986E-03 Ec_ueg -0.1787119E-03 Delta_ex -0.1280068E-02 Delta_ec 0.8795129E-03 Delta_et -0.4922517E-02 Pxc 0.4243134E+01 Qxc -0.1455428E+01 3,-1 122 3 -1 -0.579271 -1.800010 2.803643 Rho 0.1385181E+00 |GRAD(Rho)| 0.3957840E-14 GRAD(Rho)x 0.2601164E-14 GRAD(Rho)y -0.2965605E-14 GRAD(Rho)z -0.3219267E-15 Laplacian 0.5869086E+00 (-1/4)Del**2(Rho)) -0.1467272E+00 Diamond 0.1071002E+01 Metallicity 0.4353984E+01 Ellipticity 0.1401822E-01 Gb(Abramov) 0.2042927E+00 Vb(Abramov) -0.2618583E+00 Hb(Abramov) -0.5756555E-01 Ex_ueg -0.5293306E-01 Ec_ueg -0.7712607E-02 Delta_ex -0.6170375E-01 Delta_ec 0.1499016E-01 Delta_et -0.1968445E+00 Pxc 0.6863186E+01 Qxc -0.4116284E+01 3,-1 123 3 -1 -0.563802 -2.760316 1.824753 Rho 0.1341416E+00 |GRAD(Rho)| 0.4826370E-13 GRAD(Rho)x 0.1701872E-14 GRAD(Rho)y -0.3552856E-13 GRAD(Rho)z -0.3262223E-13 Laplacian 0.5659167E+00 (-1/4)Del**2(Rho)) -0.1414792E+00 Diamond 0.9903522E+00 Metallicity 0.4280224E+01 Ellipticity 0.1110438E-01 Gb(Abramov) 0.1952465E+00 Vb(Abramov) -0.2490139E+00 Hb(Abramov) -0.5376735E-01 Ex_ueg -0.5071499E-01 Ec_ueg -0.7436213E-02 Delta_ex -0.5899599E-01 Delta_ec 0.1449983E-01 Delta_et -0.1893450E+00 Pxc 0.6820002E+01 Qxc -0.4068736E+01 3,-1 124 3 -1 0.543613 1.700124 -1.728129 Rho 0.5254754E-01 |GRAD(Rho)| 0.8556609E-16 GRAD(Rho)x 0.5413493E-16 GRAD(Rho)y -0.5020915E-16 GRAD(Rho)z 0.4324357E-16 Laplacian 0.2057695E+00 (-1/4)Del**2(Rho)) -0.5144236E-01 Diamond 0.1085728E+00 Metallicity 0.2468802E+01 Ellipticity 0.8772094E-02 Gb(Abramov) 0.5546174E-01 Vb(Abramov) -0.5948112E-01 Hb(Abramov) -0.4019378E-02 Ex_ueg -0.1453633E-01 Ec_ueg -0.2556169E-02 Delta_ex -0.1702891E-01 Delta_ec 0.5910754E-02 Delta_et -0.6306689E-01 Pxc 0.5686766E+01 Qxc -0.2881005E+01 3,-1 125 3 -1 0.563231 1.792439 2.779088 Rho 0.1472208E+00 |GRAD(Rho)| 0.4675094E-15 GRAD(Rho)x -0.2923280E-16 GRAD(Rho)y 0.4576417E-15 GRAD(Rho)z -0.9096456E-16 Laplacian 0.6237074E+00 (-1/4)Del**2(Rho)) -0.1559269E+00 Diamond 0.1242690E+01 Metallicity 0.4535036E+01 Ellipticity 0.7667721E-02 Gb(Abramov) 0.2218069E+00 Vb(Abramov) -0.2876869E+00 Hb(Abramov) -0.6588004E-01 Ex_ueg -0.5741304E-01 Ec_ueg -0.8265842E-02 Delta_ex -0.6674314E-01 Delta_ec 0.1602279E-01 Delta_et -0.2130136E+00 Pxc 0.6945819E+01 Qxc -0.4165513E+01 3,-1 126 3 +1 0.213204 2.878875 -0.205357 Rho 0.5743831E-02 |GRAD(Rho)| 0.3445766E-15 GRAD(Rho)x 0.3406278E-15 GRAD(Rho)y -0.4710451E-16 GRAD(Rho)z 0.2206667E-16 Laplacian 0.2439231E-01 (-1/4)Del**2(Rho)) -0.6098079E-02 Diamond 0.6089790E-03 Metallicity 0.5204307E+00 Ellipticity -0.2002361E+01 Gb(Abramov) 0.4594324E-02 Vb(Abramov) -0.3090569E-02 Hb(Abramov) 0.1503755E-02 Ex_ueg -0.7597206E-03 Ec_ueg -0.1790620E-03 Delta_ex -0.1186964E-02 Delta_ec 0.6626934E-03 Delta_et -0.3793675E-02 Pxc 0.4242780E+01 Qxc -0.1791121E+01 3,+1 127 3 -1 0.557896 2.760903 1.792678 Rho 0.1454152E+00 |GRAD(Rho)| 0.1713563E-15 GRAD(Rho)x -0.5267867E-16 GRAD(Rho)y -0.8009544E-16 GRAD(Rho)z -0.1420305E-15 Laplacian 0.6152632E+00 (-1/4)Del**2(Rho)) -0.1538158E+00 Diamond 0.1202773E+01 Metallicity 0.4503693E+01 Ellipticity 0.8340695E-02 Gb(Abramov) 0.2180004E+00 Vb(Abramov) -0.2821849E+00 Hb(Abramov) -0.6418458E-01 Ex_ueg -0.5647613E-01 Ec_ueg -0.8150672E-02 Delta_ex -0.6558858E-01 Delta_ec 0.1576012E-01 Delta_et -0.2089415E+00 Pxc 0.6929015E+01 Qxc -0.4161679E+01 3,-1 128 3 -1 0.873047 2.976070 -1.991697 Rho 0.1472364E+00 |GRAD(Rho)| 0.2327762E-15 GRAD(Rho)x -0.1916327E-15 GRAD(Rho)y -0.8978549E-16 GRAD(Rho)z -0.9695478E-16 Laplacian 0.5815066E+00 (-1/4)Del**2(Rho)) -0.1453766E+00 Diamond 0.1158849E+01 Metallicity 0.4865011E+01 Ellipticity 0.4078884E-01 Gb(Abramov) 0.2147943E+00 Vb(Abramov) -0.2842119E+00 Hb(Abramov) -0.6941761E-01 Ex_ueg -0.5742116E-01 Ec_ueg -0.8266839E-02 Delta_ex -0.6222978E-01 Delta_ec 0.1493997E-01 Delta_et -0.1986251E+00 Pxc 0.6945963E+01 Qxc -0.4165320E+01 3,-1 129 3 -1 -0.054553 3.173643 -3.179836 Rho 0.2537571E+00 |GRAD(Rho)| 0.5635021E-15 GRAD(Rho)x 0.2461139E-16 GRAD(Rho)y -0.1438736E-15 GRAD(Rho)z 0.5442695E-15 Laplacian 0.9391539E+00 (-1/4)Del**2(Rho)) -0.2347885E+00 Diamond 0.3521169E+01 Metallicity 0.7462883E+01 Ellipticity 0.3634805E-02 Gb(Abramov) 0.4485588E+00 Vb(Abramov) -0.6623291E+00 Hb(Abramov) -0.2137703E+00 Ex_ueg -0.1186522E+00 Ec_ueg -0.1539528E-01 Delta_ex -0.1149855E+00 Delta_ec 0.2012945E-01 Delta_et -0.2779465E+00 Pxc 0.7707053E+01 Qxc -0.5712303E+01 3,-1 130 3 -1 -0.064293 2.880454 0.077533 Rho 0.5890223E-02 |GRAD(Rho)| 0.4296174E-17 GRAD(Rho)x 0.3866352E-17 GRAD(Rho)y 0.1849819E-17 GRAD(Rho)z 0.2942880E-18 Laplacian 0.2432317E-01 (-1/4)Del**2(Rho)) -0.6080793E-02 Diamond 0.7930808E-03 Metallicity 0.5442677E+00 Ellipticity 0.5599586E+01 Gb(Abramov) 0.4605458E-02 Vb(Abramov) -0.3130124E-02 Hb(Abramov) 0.1475334E-02 Ex_ueg -0.7856469E-03 Ec_ueg -0.1854216E-03 Delta_ex -0.1312845E-02 Delta_ec 0.8805254E-03 Delta_et -0.4977436E-02 Pxc 0.4237083E+01 Qxc -0.1490979E+01 3,-1 131 3 -1 0.058568 3.186131 3.180524 Rho 0.2548389E+00 |GRAD(Rho)| 0.1699763E-12 GRAD(Rho)x -0.3038352E-13 GRAD(Rho)y -0.1194304E-12 GRAD(Rho)z -0.1170691E-12 Laplacian 0.9294231E+00 (-1/4)Del**2(Rho)) -0.2323558E+00 Diamond 0.3516526E+01 Metallicity 0.7594674E+01 Ellipticity 0.2260326E-02 Gb(Abramov) 0.4490149E+00 Vb(Abramov) -0.6656741E+00 Hb(Abramov) -0.2166591E+00 Ex_ueg -0.1193272E+00 Ec_ueg -0.1547091E-01 Delta_ex -0.1139902E+00 Delta_ec 0.2001716E-01 Delta_et -0.2769999E+00 Pxc 0.7713003E+01 Qxc -0.5694625E+01 3,-1 132 3 -1 1.978191 2.978658 -0.866190 Rho 0.1406280E+00 |GRAD(Rho)| 0.5152053E-15 GRAD(Rho)x -0.2085598E-15 GRAD(Rho)y 0.6849447E-16 GRAD(Rho)z -0.4660985E-15 Laplacian 0.5551057E+00 (-1/4)Del**2(Rho)) -0.1387764E+00 Diamond 0.1049508E+01 Metallicity 0.4720890E+01 Ellipticity 0.3201264E-01 Gb(Abramov) 0.2017090E+00 Vb(Abramov) -0.2646416E+00 Hb(Abramov) -0.6293257E-01 Ex_ueg -0.5401083E-01 Ec_ueg -0.7846298E-02 Delta_ex -0.5877112E-01 Delta_ec 0.1447393E-01 Delta_et -0.1912323E+00 Pxc 0.6883607E+01 Qxc -0.4060480E+01 3,-1 133 3 -1 1.784608 2.759078 0.553772 Rho 0.1407540E+00 |GRAD(Rho)| 0.1685812E-14 GRAD(Rho)x 0.1461179E-14 GRAD(Rho)y 0.4354563E-15 GRAD(Rho)z -0.7192326E-15 Laplacian 0.5951191E+00 (-1/4)Del**2(Rho)) -0.1487798E+00 Diamond 0.1122564E+01 Metallicity 0.4410056E+01 Ellipticity 0.9408183E-02 Gb(Abramov) 0.2085410E+00 Vb(Abramov) -0.2683023E+00 Hb(Abramov) -0.5976126E-01 Ex_ueg -0.5407538E-01 Ec_ueg -0.7854292E-02 Delta_ex -0.6297993E-01 Delta_ec 0.1544018E-01 Delta_et -0.2038733E+00 Pxc 0.6884819E+01 Qxc -0.4078964E+01 3,-1 134 3 -1 2.712470 -1.751747 -0.524281 Rho 0.1583592E+00 |GRAD(Rho)| 0.4750100E-15 GRAD(Rho)x -0.1138073E-15 GRAD(Rho)y -0.2047245E-15 GRAD(Rho)z 0.4132437E-15 Laplacian 0.6803025E+00 (-1/4)Del**2(Rho)) -0.1700756E+00 Diamond 0.1452976E+01 Metallicity 0.4695155E+01 Ellipticity 0.2589832E-01 Gb(Abramov) 0.2464723E+00 Vb(Abramov) -0.3228690E+00 Hb(Abramov) -0.7639670E-01 Ex_ueg -0.6327655E-01 Ec_ueg -0.8980753E-02 Delta_ex -0.7387119E-01 Delta_ec 0.1672294E-01 Delta_et -0.2234826E+00 Pxc 0.7045796E+01 Qxc -0.4417357E+01 3,-1 135 3 +1 2.157143 -1.042811 1.377344 Rho 0.3001077E-01 |GRAD(Rho)| 0.8350969E-14 GRAD(Rho)x 0.1431564E-14 GRAD(Rho)y 0.5237792E-15 GRAD(Rho)z -0.8210662E-14 Laplacian 0.1153538E+00 (-1/4)Del**2(Rho)) -0.2883845E-01 Diamond 0.1620119E-01 Metallicity 0.1731317E+01 Ellipticity -0.2474961E+01 Gb(Abramov) 0.2754705E-01 Vb(Abramov) -0.2625565E-01 Hb(Abramov) 0.1291399E-02 Ex_ueg -0.6887918E-02 Ec_ueg -0.1344163E-02 Delta_ex -0.7262586E-02 Delta_ec 0.1470641E-02 Delta_et -0.1360874E-01 Pxc 0.5124318E+01 Qxc -0.4938381E+01 3,+1 136 3 -1 2.980760 -0.849331 1.994335 Rho 0.1399228E+00 |GRAD(Rho)| 0.4010408E-13 GRAD(Rho)x 0.2781565E-13 GRAD(Rho)y 0.7404491E-14 GRAD(Rho)z -0.2792490E-13 Laplacian 0.5590164E+00 (-1/4)Del**2(Rho)) -0.1397541E+00 Diamond 0.1051665E+01 Metallicity 0.4648746E+01 Ellipticity 0.4196847E-01 Gb(Abramov) 0.2014496E+00 Vb(Abramov) -0.2631452E+00 Hb(Abramov) -0.6169553E-01 Ex_ueg -0.5364998E-01 Ec_ueg -0.7801580E-02 Delta_ex -0.5912520E-01 Delta_ec 0.1461567E-01 Delta_et -0.1930018E+00 Pxc 0.6876809E+01 Qxc -0.4045330E+01 3,-1 137 3 -1 2.745924 -0.544065 -1.779527 Rho 0.1293473E+00 |GRAD(Rho)| 0.2625272E-13 GRAD(Rho)x 0.6956651E-14 GRAD(Rho)y 0.2531333E-13 GRAD(Rho)z 0.2142519E-15 Laplacian 0.5388378E+00 (-1/4)Del**2(Rho)) -0.1347095E+00 Diamond 0.9274355E+00 Metallicity 0.4230749E+01 Ellipticity 0.1753251E-01 Gb(Abramov) 0.1847933E+00 Vb(Abramov) -0.2348771E+00 Hb(Abramov) -0.5008383E-01 Ex_ueg -0.4831272E-01 Ec_ueg -0.7134863E-02 Delta_ex -0.5598080E-01 Delta_ec 0.1446572E-01 Delta_et -0.1888386E+00 Pxc 0.6771359E+01 Qxc -0.3869895E+01 3,-1 138 3 -1 -2.969294 -0.871195 -1.988191 Rho 0.1465422E+00 |GRAD(Rho)| 0.7997855E-15 GRAD(Rho)x 0.4015343E-15 GRAD(Rho)y -0.6380801E-15 GRAD(Rho)z 0.2669848E-15 Laplacian 0.5791723E+00 (-1/4)Del**2(Rho)) -0.1447931E+00 Diamond 0.1147275E+01 Metallicity 0.4846293E+01 Ellipticity 0.4065007E-01 Gb(Abramov) 0.2134803E+00 Vb(Abramov) -0.2821676E+00 Hb(Abramov) -0.6868726E-01 Ex_ueg -0.5706045E-01 Ec_ueg -0.8222531E-02 Delta_ex -0.6190434E-01 Delta_ec 0.1489019E-01 Delta_et -0.1978121E+00 Pxc 0.6939523E+01 Qxc -0.4157392E+01 3,-1 139 3 -1 -2.761397 -0.559331 1.800278 Rho 0.1450073E+00 |GRAD(Rho)| 0.2029669E-15 GRAD(Rho)x 0.1321236E-15 GRAD(Rho)y -0.1539703E-15 GRAD(Rho)z 0.5664956E-17 Laplacian 0.6144190E+00 (-1/4)Del**2(Rho)) -0.1536048E+00 Diamond 0.1197899E+01 Metallicity 0.4488815E+01 Ellipticity 0.8232784E-02 Gb(Abramov) 0.2173204E+00 Vb(Abramov) -0.2810360E+00 Hb(Abramov) -0.6371564E-01 Ex_ueg -0.5626500E-01 Ec_ueg -0.8124681E-02 Delta_ex -0.6546217E-01 Delta_ec 0.1576468E-01 Delta_et -0.2089502E+00 Pxc 0.6925195E+01 Qxc -0.4152458E+01 3,-1 140 3 -1 -3.167899 0.052190 -3.178996 Rho 0.2539227E+00 |GRAD(Rho)| 0.4612598E-15 GRAD(Rho)x -0.3542088E-15 GRAD(Rho)y 0.2953096E-15 GRAD(Rho)z -0.9432559E-17 Laplacian 0.9395491E+00 (-1/4)Del**2(Rho)) -0.2348873E+00 Diamond 0.3525981E+01 Metallicity 0.7467859E+01 Ellipticity 0.4157237E-02 Gb(Abramov) 0.4489424E+00 Vb(Abramov) -0.6629974E+00 Hb(Abramov) -0.2140551E+00 Ex_ueg -0.1187555E+00 Ec_ueg -0.1540685E-01 Delta_ex -0.1150564E+00 Delta_ec 0.2013884E-01 Delta_et -0.2781022E+00 Pxc 0.7707966E+01 Qxc -0.5713161E+01 3,-1 141 3 -1 -3.199255 -0.051866 3.183768 Rho 0.2548078E+00 |GRAD(Rho)| 0.9143062E-16 GRAD(Rho)x 0.4477755E-16 GRAD(Rho)y -0.5152671E-16 GRAD(Rho)z -0.6082374E-16 Laplacian 0.9280339E+00 (-1/4)Del**2(Rho)) -0.2320085E+00 Diamond 0.3512498E+01 Metallicity 0.7604500E+01 Ellipticity 0.2492997E-02 Gb(Abramov) 0.4487237E+00 Vb(Abramov) -0.6654389E+00 Hb(Abramov) -0.2167152E+00 Ex_ueg -0.1193078E+00 Ec_ueg -0.1546874E-01 Delta_ex -0.1138247E+00 Delta_ec 0.2000328E-01 Delta_et -0.2768808E+00 Pxc 0.7712833E+01 Qxc -0.5690304E+01 3,-1 142 3 -1 0.002941 -0.008914 -2.881622 Rho 0.5795550E-02 |GRAD(Rho)| 0.1360146E-12 GRAD(Rho)x 0.1308439E-12 GRAD(Rho)y -0.2551696E-13 GRAD(Rho)z 0.2699500E-13 Laplacian 0.2339319E-01 (-1/4)Del**2(Rho)) -0.5848298E-02 Diamond 0.7556189E-03 Metallicity 0.5508265E+00 Ellipticity 0.2672031E+01 Gb(Abramov) 0.4435765E-02 Vb(Abramov) -0.3023232E-02 Hb(Abramov) 0.1412533E-02 Ex_ueg -0.7688553E-03 Ec_ueg -0.1813076E-03 Delta_ex -0.1265902E-02 Delta_ec 0.8595174E-03 Delta_et -0.4830480E-02 Pxc 0.4240613E+01 Qxc -0.1472806E+01 3,-1 143 3 +1 0.528317 0.518034 1.648907 Rho 0.8127647E-02 |GRAD(Rho)| 0.1723161E-16 GRAD(Rho)x 0.9127056E-17 GRAD(Rho)y 0.6252941E-17 GRAD(Rho)z 0.1321083E-16 Laplacian 0.3179535E-01 (-1/4)Del**2(Rho)) -0.7948837E-02 Diamond 0.7731957E-03 Metallicity 0.7120726E+00 Ellipticity -0.1401216E+01 Gb(Abramov) 0.6242583E-02 Vb(Abramov) -0.4536329E-02 Hb(Abramov) 0.1706254E-02 Ex_ueg -0.1206901E-02 Ec_ueg -0.2838955E-03 Delta_ex -0.1424841E-02 Delta_ec 0.4346944E-03 Delta_et -0.2938699E-02 Pxc 0.4251214E+01 Qxc -0.3277799E+01 3,+1 144 3 +1 0.139586 -0.153165 2.921777 Rho 0.5240245E-02 |GRAD(Rho)| 0.3099180E-17 GRAD(Rho)x 0.1698967E-17 GRAD(Rho)y 0.1316937E-17 GRAD(Rho)z 0.2232511E-17 Laplacian 0.2173377E-01 (-1/4)Del**2(Rho)) -0.5433443E-02 Diamond 0.5407666E-03 Metallicity 0.5012612E+00 Ellipticity -0.2960411E+01 Gb(Abramov) 0.4076224E-02 Vb(Abramov) -0.2719006E-02 Hb(Abramov) 0.1357219E-02 Ex_ueg -0.6722341E-03 Ec_ueg -0.1572661E-03 Delta_ex -0.1091250E-02 Delta_ec 0.6858177E-03 Delta_et -0.3776827E-02 Pxc 0.4274500E+01 Qxc -0.1591166E+01 3,+1 145 3 -1 0.409333 -0.396431 0.345379 Rho 0.1394080E+00 |GRAD(Rho)| 0.4780955E-12 GRAD(Rho)x -0.2734533E-12 GRAD(Rho)y 0.2920939E-12 GRAD(Rho)z -0.2616863E-12 Laplacian 0.7426702E+00 (-1/4)Del**2(Rho)) -0.1856675E+00 Diamond 0.1678354E+01 Metallicity 0.3477738E+01 Ellipticity 0.1403843E-01 Gb(Abramov) 0.2313956E+00 Vb(Abramov) -0.2771236E+00 Hb(Abramov) -0.4572800E-01 Ex_ueg -0.5338700E-01 Ec_ueg -0.7768963E-02 Delta_ex -0.8163542E-01 Delta_ec 0.2506954E-01 Delta_et -0.3423784E+00 Pxc 0.6871831E+01 Qxc -0.3256359E+01 3,-1 146 3 -1 3.175582 3.174623 0.054416 Rho 0.2535483E+00 |GRAD(Rho)| 0.2737405E-15 GRAD(Rho)x 0.2223699E-15 GRAD(Rho)y 0.1175275E-15 GRAD(Rho)z 0.1080407E-15 Laplacian 0.9313023E+00 (-1/4)Del**2(Rho)) -0.2328256E+00 Diamond 0.3494176E+01 Metallicity 0.7515487E+01 Ellipticity 0.1352340E-02 Gb(Abramov) 0.4468500E+00 Vb(Abramov) -0.6608744E+00 Hb(Abramov) -0.2140244E+00 Ex_ueg -0.1185221E+00 Ec_ueg -0.1538069E-01 Delta_ex -0.1140287E+00 Delta_ec 0.2001835E-01 Delta_et -0.2766599E+00 Pxc 0.7705902E+01 Qxc -0.5696208E+01 3,-1 147 3 -1 3.146559 -3.151479 -0.013360 Rho 0.1729874E+00 |GRAD(Rho)| 0.7937161E-15 GRAD(Rho)x -0.6086440E-15 GRAD(Rho)y 0.4633067E-15 GRAD(Rho)z 0.2118599E-15 Laplacian 0.6837144E+00 (-1/4)Del**2(Rho)) -0.1709286E+00 Diamond 0.1673008E+01 Metallicity 0.5412891E+01 Ellipticity 0.1224099E+00 Gb(Abramov) 0.2681554E+00 Vb(Abramov) -0.3653822E+00 Hb(Abramov) -0.9722678E-01 Ex_ueg -0.7118761E-01 Ec_ueg -0.9930937E-02 Delta_ex -0.7630480E-01 Delta_ec 0.1715229E-01 Delta_et -0.2336721E+00 Pxc 0.7168267E+01 Qxc -0.4448665E+01 3,-1 148 3 -1 -1.968130 -2.984850 -0.863816 Rho 0.1425383E+00 |GRAD(Rho)| 0.8567813E-15 GRAD(Rho)x 0.8321252E-16 GRAD(Rho)y -0.8378172E-16 GRAD(Rho)z 0.8486050E-15 Laplacian 0.5631270E+00 (-1/4)Del**2(Rho)) -0.1407818E+00 Diamond 0.1081580E+01 Metallicity 0.4759480E+01 Ellipticity 0.3463822E-01 Gb(Abramov) 0.2055291E+00 Vb(Abramov) -0.2702765E+00 Hb(Abramov) -0.6474739E-01 Ex_ueg -0.5499128E-01 Ec_ueg -0.7967582E-02 Delta_ex -0.5981120E-01 Delta_ec 0.1462567E-01 Delta_et -0.1936127E+00 Pxc 0.6901878E+01 Qxc -0.4089467E+01 3,-1 149 3 -1 -1.781315 -2.762698 0.561594 Rho 0.1417878E+00 |GRAD(Rho)| 0.7879353E-13 GRAD(Rho)x -0.5915071E-13 GRAD(Rho)y -0.3189330E-14 GRAD(Rho)z -0.5195616E-13 Laplacian 0.5968609E+00 (-1/4)Del**2(Rho)) -0.1492152E+00 Diamond 0.1134516E+01 Metallicity 0.4451142E+01 Ellipticity 0.1148647E-01 Gb(Abramov) 0.2101732E+00 Vb(Abramov) -0.2711311E+00 Hb(Abramov) -0.6095794E-01 Ex_ueg -0.5460556E-01 Ec_ueg -0.7919904E-02 Delta_ex -0.6326324E-01 Delta_ec 0.1543339E-01 Delta_et -0.2039571E+00 Pxc 0.6894724E+01 Qxc -0.4099114E+01 3,-1 150 3 -1 -2.750294 -1.790903 0.559075 Rho 0.1404867E+00 |GRAD(Rho)| 0.2770673E-14 GRAD(Rho)x 0.5312658E-15 GRAD(Rho)y -0.2037040E-14 GRAD(Rho)z -0.1801348E-14 Laplacian 0.5959394E+00 (-1/4)Del**2(Rho)) -0.1489848E+00 Diamond 0.1122043E+01 Metallicity 0.4390055E+01 Ellipticity 0.9285066E-02 Gb(Abramov) 0.2083318E+00 Vb(Abramov) -0.2676788E+00 Hb(Abramov) -0.5934700E-01 Ex_ueg -0.5393850E-01 Ec_ueg -0.7837337E-02 Delta_ex -0.6304296E-01 Delta_ec 0.1547823E-01 Delta_et -0.2043370E+00 Pxc 0.6882247E+01 Qxc -0.4073008E+01 3,-1 151 3 -1 -1.681006 1.681325 0.505469 Rho 0.6299922E-01 |GRAD(Rho)| 0.2249056E-15 GRAD(Rho)x 0.1803604E-15 GRAD(Rho)y -0.1136379E-15 GRAD(Rho)z 0.7168736E-16 Laplacian 0.2401623E+00 (-1/4)Del**2(Rho)) -0.6004058E-01 Diamond 0.1596498E+00 Metallicity 0.2861982E+01 Ellipticity 0.8296191E-02 Gb(Abramov) 0.6866623E-01 Vb(Abramov) -0.7729188E-01 Hb(Abramov) -0.8625650E-02 Ex_ueg -0.1851393E-01 Ec_ueg -0.3145110E-02 Delta_ex -0.2074019E-01 Delta_ec 0.6745423E-02 Delta_et -0.7526290E-01 Pxc 0.5886575E+01 Qxc -0.3074705E+01 3,-1 152 3 -1 0.071485 -3.186267 -3.172640 Rho 0.2538806E+00 |GRAD(Rho)| 0.4445802E-15 GRAD(Rho)x 0.3374579E-16 GRAD(Rho)y 0.3855423E-15 GRAD(Rho)z 0.2187920E-15 Laplacian 0.9382532E+00 (-1/4)Del**2(Rho)) -0.2345633E+00 Diamond 0.3520928E+01 Metallicity 0.7476107E+01 Ellipticity 0.3427315E-02 Gb(Abramov) 0.4486456E+00 Vb(Abramov) -0.6627279E+00 Hb(Abramov) -0.2140823E+00 Ex_ueg -0.1187292E+00 Ec_ueg -0.1540391E-01 Delta_ex -0.1148952E+00 Delta_ec 0.2011661E-01 Delta_et -0.2778164E+00 Pxc 0.7707734E+01 Qxc -0.5711462E+01 3,-1 153 3 -1 -0.074827 -3.179897 3.207500 Rho 0.2442480E+00 |GRAD(Rho)| 0.1610980E-12 GRAD(Rho)x 0.2837581E-13 GRAD(Rho)y 0.1143138E-12 GRAD(Rho)z -0.1099077E-12 Laplacian 0.8698792E+00 (-1/4)Del**2(Rho)) -0.2174698E+00 Diamond 0.3161282E+01 Metallicity 0.7560303E+01 Ellipticity 0.1950210E-02 Gb(Abramov) 0.4190028E+00 Vb(Abramov) -0.6205358E+00 Hb(Abramov) -0.2015330E+00 Ex_ueg -0.1127612E+00 Ec_ueg -0.1473326E-01 Delta_ex -0.1056816E+00 Delta_ec 0.1929359E-01 Delta_et -0.2681991E+00 Pxc 0.7653514E+01 Qxc -0.5477552E+01 3,-1 154 3 -1 1.683146 -1.673254 0.512630 Rho 0.6948031E-01 |GRAD(Rho)| 0.4442908E-16 GRAD(Rho)x -0.8180644E-17 GRAD(Rho)y 0.3029329E-16 GRAD(Rho)z -0.3145372E-16 Laplacian 0.2667689E+00 (-1/4)Del**2(Rho)) -0.6669224E-01 Diamond 0.2028539E+00 Metallicity 0.3033291E+01 Ellipticity 0.9200008E-02 Gb(Abramov) 0.7817765E-01 Vb(Abramov) -0.8966307E-01 Hb(Abramov) -0.1148542E-01 Ex_ueg -0.2109603E-01 Ec_ueg -0.3517053E-02 Delta_ex -0.2363774E-01 Delta_ec 0.7498626E-02 Delta_et -0.8569037E-01 Pxc 0.5998213E+01 Qxc -0.3152276E+01 3,-1 155 3 -1 1.943412 -2.936190 0.877189 Rho 0.1622084E+00 |GRAD(Rho)| 0.6955911E-16 GRAD(Rho)x 0.2156207E-16 GRAD(Rho)y 0.5650049E-16 GRAD(Rho)z 0.3436921E-16 Laplacian 0.6450616E+00 (-1/4)Del**2(Rho)) -0.1612654E+00 Diamond 0.1441027E+01 Metallicity 0.5153880E+01 Ellipticity 0.4965739E-01 Gb(Abramov) 0.2460340E+00 Vb(Abramov) -0.3308026E+00 Hb(Abramov) -0.8476862E-01 Ex_ueg -0.6533556E-01 Ec_ueg -0.9229555E-02 Delta_ex -0.7067081E-01 Delta_ec 0.1612819E-01 Delta_et -0.2171380E+00 Pxc 0.7078950E+01 Qxc -0.4381820E+01 3,-1 156 3 -1 3.184662 -0.065260 -3.170412 Rho 0.2539837E+00 |GRAD(Rho)| 0.4676299E-14 GRAD(Rho)x -0.3317225E-14 GRAD(Rho)y 0.1201133E-14 GRAD(Rho)z 0.3069376E-14 Laplacian 0.9398457E+00 (-1/4)Del**2(Rho)) -0.2349614E+00 Diamond 0.3528143E+01 Metallicity 0.7468493E+01 Ellipticity 0.3746848E-02 Gb(Abramov) 0.4491089E+00 Vb(Abramov) -0.6632564E+00 Hb(Abramov) -0.2141475E+00 Ex_ueg -0.1187935E+00 Ec_ueg -0.1541112E-01 Delta_ex -0.1151002E+00 Delta_ec 0.2014396E-01 Delta_et -0.2781748E+00 Pxc 0.7708302E+01 Qxc -0.5713881E+01 3,-1 157 3 -1 3.182707 0.066634 3.197035 Rho 0.2544909E+00 |GRAD(Rho)| 0.3236512E-15 GRAD(Rho)x -0.3069376E-15 GRAD(Rho)y -0.9305165E-16 GRAD(Rho)z -0.4336809E-16 Laplacian 0.9284929E+00 (-1/4)Del**2(Rho)) -0.2321232E+00 Diamond 0.3507692E+01 Metallicity 0.7584990E+01 Ellipticity 0.2258215E-02 Gb(Abramov) 0.4481909E+00 Vb(Abramov) -0.6642585E+00 Hb(Abramov) -0.2160676E+00 Ex_ueg -0.1191100E+00 Ec_ueg -0.1544657E-01 Delta_ex -0.1138374E+00 Delta_ec 0.2000957E-01 Delta_et -0.2769091E+00 Pxc 0.7711092E+01 Qxc -0.5689151E+01 3,-1 158 3 -1 2.982051 0.863845 -1.985656 Rho 0.1462938E+00 |GRAD(Rho)| 0.3743445E-12 GRAD(Rho)x 0.1680329E-12 GRAD(Rho)y 0.2662719E-12 GRAD(Rho)z 0.2024797E-12 Laplacian 0.5781387E+00 (-1/4)Del**2(Rho)) -0.1445347E+00 Diamond 0.1143128E+01 Metallicity 0.4841254E+01 Ellipticity 0.4045035E-01 Gb(Abramov) 0.2129780E+00 Vb(Abramov) -0.2814212E+00 Hb(Abramov) -0.6844328E-01 Ex_ueg -0.5693156E-01 Ec_ueg -0.8206690E-02 Delta_ex -0.6177060E-01 Delta_ec 0.1487405E-01 Delta_et -0.1975585E+00 Pxc 0.6937214E+01 Qxc -0.4152910E+01 3,-1 159 3 -1 -0.858015 2.972502 1.976864 Rho 0.1342311E+00 |GRAD(Rho)| 0.3048628E-15 GRAD(Rho)x -0.1470585E-15 GRAD(Rho)y -0.3035766E-16 GRAD(Rho)z -0.2653178E-15 Laplacian 0.5370613E+00 (-1/4)Del**2(Rho)) -0.1342653E+00 Diamond 0.9622831E+00 Metallicity 0.4515209E+01 Ellipticity 0.3995139E-01 Gb(Abramov) 0.1905496E+00 Vb(Abramov) -0.2468338E+00 Hb(Abramov) -0.5628423E-01 Ex_ueg -0.5076011E-01 Ec_ueg -0.7441853E-02 Delta_ex -0.5624731E-01 Delta_ec 0.1420528E-01 Delta_et -0.1864077E+00 Pxc 0.6820897E+01 Qxc -0.3959605E+01 3,-1 160 3 +1 1.683707 0.524143 0.487947 Rho 0.8976497E-02 |GRAD(Rho)| 0.1282977E-16 GRAD(Rho)x 0.1236037E-16 GRAD(Rho)y 0.1016904E-17 GRAD(Rho)z 0.3284811E-17 Laplacian 0.3565661E-01 (-1/4)Del**2(Rho)) -0.8914151E-02 Diamond 0.9862545E-03 Metallicity 0.7492924E+00 Ellipticity -0.1416590E+01 Gb(Abramov) 0.7055985E-02 Vb(Abramov) -0.5197819E-02 Hb(Abramov) 0.1858166E-02 Ex_ueg -0.1377826E-02 Ec_ueg -0.3218569E-03 Delta_ex -0.1635939E-02 Delta_ec 0.4824767E-03 Delta_et -0.3349630E-02 Pxc 0.4280863E+01 Qxc -0.3390712E+01 3,+1 161 3 -1 1.787490 -0.548507 -2.766511 Rho 0.1422717E+00 |GRAD(Rho)| 0.4757582E-13 GRAD(Rho)x 0.3588136E-13 GRAD(Rho)y 0.3032164E-13 GRAD(Rho)z 0.7522310E-14 Laplacian 0.6023736E+00 (-1/4)Del**2(Rho)) -0.1505934E+00 Diamond 0.1149067E+01 Metallicity 0.4435522E+01 Ellipticity 0.8886334E-02 Gb(Abramov) 0.2117223E+00 Vb(Abramov) -0.2728512E+00 Hb(Abramov) -0.6112892E-01 Ex_ueg -0.5485418E-01 Ec_ueg -0.7950641E-02 Delta_ex -0.6389393E-01 Delta_ec 0.1555110E-01 Delta_et -0.2055920E+00 Pxc 0.6899340E+01 Qxc -0.4108644E+01 3,-1 162 3 -1 1.721992 -0.523961 1.691790 Rho 0.4548079E-01 |GRAD(Rho)| 0.8311566E-16 GRAD(Rho)x 0.4029929E-16 GRAD(Rho)y 0.9412654E-17 GRAD(Rho)z 0.7208039E-16 Laplacian 0.1746097E+00 (-1/4)Del**2(Rho)) -0.4365243E-01 Diamond 0.7550148E-01 Metallicity 0.2286958E+01 Ellipticity 0.1063920E-01 Gb(Abramov) 0.4574016E-01 Vb(Abramov) -0.4782790E-01 Hb(Abramov) -0.2087734E-02 Ex_ueg -0.1199009E-01 Ec_ueg -0.2166635E-02 Delta_ex -0.1392164E-01 Delta_ec 0.5003999E-02 Delta_et -0.5142569E-01 Pxc 0.5533969E+01 Qxc -0.2782103E+01 3,-1 163 3 -1 1.791009 0.567329 2.783839 Rho 0.1436406E+00 |GRAD(Rho)| 0.3835956E-12 GRAD(Rho)x 0.2772559E-12 GRAD(Rho)y -0.2500345E-12 GRAD(Rho)z -0.8807669E-13 Laplacian 0.6103405E+00 (-1/4)Del**2(Rho)) -0.1525851E+00 Diamond 0.1181467E+01 Metallicity 0.4448052E+01 Ellipticity 0.8259667E-02 Gb(Abramov) 0.2148412E+00 Vb(Abramov) -0.2770972E+00 Hb(Abramov) -0.6225605E-01 Ex_ueg -0.5555905E-01 Ec_ueg -0.8037674E-02 Delta_ex -0.6492984E-01 Delta_ec 0.1579027E-01 Delta_et -0.2092022E+00 Pxc 0.6912329E+01 Qxc -0.4112015E+01 3,-1 164 3 -1 1.983890 0.870634 -3.011563 Rho 0.1460409E+00 |GRAD(Rho)| 0.3550284E-13 GRAD(Rho)x 0.2040879E-13 GRAD(Rho)y -0.2574316E-13 GRAD(Rho)z 0.1346190E-13 Laplacian 0.5749404E+00 (-1/4)Del**2(Rho)) -0.1437351E+00 Diamond 0.1137185E+01 Metallicity 0.4854165E+01 Ellipticity 0.3794920E-01 Gb(Abramov) 0.2121090E+00 Vb(Abramov) -0.2804830E+00 Hb(Abramov) -0.6837394E-01 Ex_ueg -0.5680036E-01 Ec_ueg -0.8190558E-02 Delta_ex -0.6143119E-01 Delta_ec 0.1484858E-01 Delta_et -0.1972819E+00 Pxc 0.6934858E+01 Qxc -0.4137175E+01 3,-1 165 3 -1 2.940935 -1.938378 0.879913 Rho 0.1515140E+00 |GRAD(Rho)| 0.3990985E-15 GRAD(Rho)x -0.3517558E-15 GRAD(Rho)y -0.8829471E-16 GRAD(Rho)z -0.1665877E-15 Laplacian 0.5979416E+00 (-1/4)Del**2(Rho)) -0.1494854E+00 Diamond 0.1231343E+01 Metallicity 0.4962600E+01 Ellipticity 0.4208673E-01 Gb(Abramov) 0.2232963E+00 Vb(Abramov) -0.2971072E+00 Hb(Abramov) -0.7381090E-01 Ex_ueg -0.5965620E-01 Ec_ueg -0.8540505E-02 Delta_ex -0.6442037E-01 Delta_ec 0.1521946E-01 Delta_et -0.2030842E+00 Pxc 0.6985090E+01 Qxc -0.4232764E+01 3,-1 166 3 -1 -2.973248 -1.975672 -0.861598 Rho 0.1411301E+00 |GRAD(Rho)| 0.1824573E-13 GRAD(Rho)x 0.1669135E-13 GRAD(Rho)y 0.6795955E-14 GRAD(Rho)z 0.2849676E-14 Laplacian 0.5563880E+00 (-1/4)Del**2(Rho)) -0.1390970E+00 Diamond 0.1056458E+01 Metallicity 0.4738071E+01 Ellipticity 0.3211751E-01 Gb(Abramov) 0.2025732E+00 Vb(Abramov) -0.2660495E+00 Hb(Abramov) -0.6347625E-01 Ex_ueg -0.5426811E-01 Ec_ueg -0.7878154E-02 Delta_ex -0.5895809E-01 Delta_ec 0.1449507E-01 Delta_et -0.1916160E+00 Pxc 0.6888429E+01 Qxc -0.4067459E+01 3,-1 167 3 -1 -1.697143 -1.709611 -0.541474 Rho 0.4969868E-01 |GRAD(Rho)| 0.9488722E-09 GRAD(Rho)x 0.6298435E-09 GRAD(Rho)y 0.6303085E-09 GRAD(Rho)z -0.3261392E-09 Laplacian 0.1933133E+00 (-1/4)Del**2(Rho)) -0.4832833E-01 Diamond 0.9439148E-01 Metallicity 0.2394746E+01 Ellipticity 0.7124199E-02 Gb(Abramov) 0.5150790E-01 Vb(Abramov) -0.5468748E-01 Hb(Abramov) -0.3179572E-02 Ex_ueg -0.1349517E-01 Ec_ueg -0.2398225E-02 Delta_ex -0.1576614E-01 Delta_ec 0.5542839E-02 Delta_et -0.5829518E-01 Pxc 0.5627148E+01 Qxc -0.2844417E+01 3,-1 168 3 +1 -2.155190 -1.261729 -1.197743 Rho 0.2942067E-01 |GRAD(Rho)| 0.1185715E-14 GRAD(Rho)x 0.1469980E-15 GRAD(Rho)y 0.8789615E-15 GRAD(Rho)z -0.7821376E-15 Laplacian 0.1161724E+00 (-1/4)Del**2(Rho)) -0.2904309E-01 Diamond 0.1895062E-01 Metallicity 0.1663149E+01 Ellipticity -0.4861105E+01 Gb(Abramov) 0.2741256E-01 Vb(Abramov) -0.2578203E-01 Hb(Abramov) 0.1630531E-02 Ex_ueg -0.6707928E-02 Ec_ueg -0.1313763E-02 Delta_ex -0.7542581E-02 Delta_ec 0.1961421E-02 Delta_et -0.1800838E-01 Pxc 0.5105888E+01 Qxc -0.3845468E+01 3,+1 169 3 -1 -1.773608 0.536184 -2.768837 Rho 0.1435670E+00 |GRAD(Rho)| 0.8087285E-15 GRAD(Rho)x -0.6616344E-15 GRAD(Rho)y -0.4639166E-15 GRAD(Rho)z 0.3260738E-16 Laplacian 0.6082699E+00 (-1/4)Del**2(Rho)) -0.1520675E+00 Diamond 0.1172498E+01 Metallicity 0.4459380E+01 Ellipticity 0.8908443E-02 Gb(Abramov) 0.2143994E+00 Vb(Abramov) -0.2767314E+00 Hb(Abramov) -0.6233195E-01 Ex_ueg -0.5552107E-01 Ec_ueg -0.8032989E-02 Delta_ex -0.6465673E-01 Delta_ec 0.1565881E-01 Delta_et -0.2072734E+00 Pxc 0.6911633E+01 Qxc -0.4129097E+01 3,-1 170 3 -1 -0.386205 -0.396849 -0.426904 Rho 0.1431983E+00 |GRAD(Rho)| 0.2065058E-15 GRAD(Rho)x -0.7576434E-16 GRAD(Rho)y -0.1466819E-15 GRAD(Rho)z -0.1240517E-15 Laplacian 0.7822246E+00 (-1/4)Del**2(Rho)) -0.1955562E+00 Diamond 0.1830785E+01 Metallicity 0.3452855E+01 Ellipticity 0.4705843E-03 Gb(Abramov) 0.2429086E+00 Vb(Abramov) -0.2902611E+00 Hb(Abramov) -0.4735245E-01 Ex_ueg -0.5533107E-01 Ec_ueg -0.8009541E-02 Delta_ex -0.8656711E-01 Delta_ec 0.2634830E-01 Delta_et -0.3619453E+00 Pxc 0.6908144E+01 Qxc -0.3285491E+01 3,-1 171 3 -1 -0.390830 0.393569 0.348341 Rho 0.1391349E+00 |GRAD(Rho)| 0.1217609E-14 GRAD(Rho)x 0.8119227E-15 GRAD(Rho)y -0.5272850E-15 GRAD(Rho)z -0.7384607E-15 Laplacian 0.7388989E+00 (-1/4)Del**2(Rho)) -0.1847247E+00 Diamond 0.1666148E+01 Metallicity 0.3484080E+01 Ellipticity 0.1049229E-01 Gb(Abramov) 0.2304158E+00 Vb(Abramov) -0.2761068E+00 Hb(Abramov) -0.4569104E-01 Ex_ueg -0.5324756E-01 Ec_ueg -0.7751659E-02 Delta_ex -0.8118723E-01 Delta_ec 0.2495771E-01 Delta_et -0.3407236E+00 Pxc 0.6869182E+01 Qxc -0.3252992E+01 3,-1 172 3 -1 0.881521 1.974484 -3.013672 Rho 0.1454603E+00 |GRAD(Rho)| 0.1520963E-15 GRAD(Rho)x 0.9229271E-17 GRAD(Rho)y -0.8192503E-16 GRAD(Rho)z 0.1278139E-15 Laplacian 0.5728635E+00 (-1/4)Del**2(Rho)) -0.1432159E+00 Diamond 0.1127818E+01 Metallicity 0.4839524E+01 Ellipticity 0.3775727E-01 Gb(Abramov) 0.2109934E+00 Vb(Abramov) -0.2787709E+00 Hb(Abramov) -0.6777749E-01 Ex_ueg -0.5649945E-01 Ec_ueg -0.8153542E-02 Delta_ex -0.6115129E-01 Delta_ec 0.1481217E-01 Delta_et -0.1966892E+00 Pxc 0.6929437E+01 Qxc -0.4128448E+01 3,-1 173 3 -1 -0.529270 -1.707178 -1.724229 Rho 0.5188012E-01 |GRAD(Rho)| 0.6749909E-16 GRAD(Rho)x -0.4233725E-16 GRAD(Rho)y -0.4371452E-16 GRAD(Rho)z -0.2920146E-16 Laplacian 0.2026152E+00 (-1/4)Del**2(Rho)) -0.5065381E-01 Diamond 0.1049890E+00 Metallicity 0.2454385E+01 Ellipticity 0.8768423E-02 Gb(Abramov) 0.5448986E-01 Vb(Abramov) -0.5832591E-01 Hb(Abramov) -0.3836053E-02 Ex_ueg -0.1429068E-01 Ec_ueg -0.2519060E-02 Delta_ex -0.1671029E-01 Delta_ec 0.5815112E-02 Delta_et -0.6184149E-01 Pxc 0.5673021E+01 Qxc -0.2873597E+01 3,-1 174 3 -1 -1.806595 -0.562263 2.790489 Rho 0.1427536E+00 |GRAD(Rho)| 0.2493427E-14 GRAD(Rho)x -0.2209807E-14 GRAD(Rho)y -0.2257580E-15 GRAD(Rho)z -0.1132680E-14 Laplacian 0.6026460E+00 (-1/4)Del**2(Rho)) -0.1506615E+00 Diamond 0.1158543E+01 Metallicity 0.4458575E+01 Ellipticity 0.9673556E-02 Gb(Abramov) 0.2123969E+00 Vb(Abramov) -0.2741323E+00 Hb(Abramov) -0.6173542E-01 Ex_ueg -0.5510206E-01 Ec_ueg -0.7981266E-02 Delta_ex -0.6402109E-01 Delta_ec 0.1562656E-01 Delta_et -0.2068671E+00 Pxc 0.6903925E+01 Qxc -0.4096942E+01 3,-1 175 3 -1 2.762049 0.564491 1.804376 Rho 0.1435219E+00 |GRAD(Rho)| 0.1446747E-13 GRAD(Rho)x 0.7376410E-14 GRAD(Rho)y -0.9181431E-15 GRAD(Rho)z 0.1241182E-13 Laplacian 0.6066680E+00 (-1/4)Del**2(Rho)) -0.1516670E+00 Diamond 0.1168782E+01 Metallicity 0.4468814E+01 Ellipticity 0.7692661E-02 Gb(Abramov) 0.2140733E+00 Vb(Abramov) -0.2764795E+00 Hb(Abramov) -0.6240626E-01 Ex_ueg -0.5549781E-01 Ec_ueg -0.8030119E-02 Delta_ex -0.6447953E-01 Delta_ec 0.1561523E-01 Delta_et -0.2066794E+00 Pxc 0.6911207E+01 Qxc -0.4129271E+01 3,-1 176 3 -1 1.975097 -0.847013 2.991855 Rho 0.1439472E+00 |GRAD(Rho)| 0.6362554E-15 GRAD(Rho)x 0.3480289E-15 GRAD(Rho)y 0.2247822E-15 GRAD(Rho)z -0.4828765E-15 Laplacian 0.5691853E+00 (-1/4)Del**2(Rho)) -0.1422963E+00 Diamond 0.1105142E+01 Metallicity 0.4786651E+01 Ellipticity 0.3338063E-01 Gb(Abramov) 0.2083847E+00 Vb(Abramov) -0.2744730E+00 Hb(Abramov) -0.6608835E-01 Ex_ueg -0.5571723E-01 Ec_ueg -0.8057183E-02 Delta_ex -0.6058856E-01 Delta_ec 0.1472755E-01 Delta_et -0.1952050E+00 Pxc 0.6915225E+01 Qxc -0.4113961E+01 3,-1 177 3 -1 -4.077395 3.898077 -0.903689 Rho 0.3277381E+00 |GRAD(Rho)| 0.1131393E-14 GRAD(Rho)x 0.5834469E-15 GRAD(Rho)y 0.8120968E-15 GRAD(Rho)z 0.5292804E-15 Laplacian -0.1824150E+01 (-1/4)Del**2(Rho)) 0.4560376E+00 Diamond 0.6415155E+01 Metallicity -0.5885240E+01 Ellipticity 0.2310209E-02 Gb(Abramov) 0.1432900E+00 Vb(Abramov) -0.7426177E+00 Hb(Abramov) -0.5993276E+00 Ex_ueg -0.1668864E+00 Ec_ueg -0.2071573E-01 Delta_ex 0.1838760E+00 Delta_ec 0.6273175E-01 Delta_et -0.1507168E+01 Pxc 0.8056026E+01 Qxc 0.2931148E+01 3,-1 178 3 -1 -2.983727 0.857958 1.978764 Rho 0.1388878E+00 |GRAD(Rho)| 0.2674085E-12 GRAD(Rho)x -0.1147518E-12 GRAD(Rho)y 0.1929453E-12 GRAD(Rho)z -0.1452977E-12 Laplacian 0.5548735E+00 (-1/4)Del**2(Rho)) -0.1387184E+00 Diamond 0.1034585E+01 Metallicity 0.4625860E+01 Ellipticity 0.4218552E-01 Gb(Abramov) 0.1994276E+00 Vb(Abramov) -0.2601367E+00 Hb(Abramov) -0.6070918E-01 Ex_ueg -0.5312151E-01 Ec_ueg -0.7736011E-02 Delta_ex -0.5858117E-01 Delta_ec 0.1453310E-01 Delta_et -0.1916912E+00 Pxc 0.6866783E+01 Qxc -0.4030879E+01 3,-1 179 3 -1 -1.691753 -0.545855 -1.727781 Rho 0.5221050E-01 |GRAD(Rho)| 0.1188403E-15 GRAD(Rho)x 0.6961467E-16 GRAD(Rho)y -0.4964397E-16 GRAD(Rho)z 0.8253658E-16 Laplacian 0.2040740E+00 (-1/4)Del**2(Rho)) -0.5101849E-01 Diamond 0.1066743E+00 Metallicity 0.2462760E+01 Ellipticity 0.9124398E-02 Gb(Abramov) 0.5495337E-01 Vb(Abramov) -0.5888826E-01 Hb(Abramov) -0.3934884E-02 Ex_ueg -0.1441215E-01 Ec_ueg -0.2537422E-02 Delta_ex -0.1685830E-01 Delta_ec 0.5857586E-02 Delta_et -0.6239500E-01 Pxc 0.5679842E+01 Qxc -0.2878029E+01 3,-1 180 3 -1 1.746071 -2.718062 -0.526572 Rho 0.1569657E+00 |GRAD(Rho)| 0.4183196E-15 GRAD(Rho)x -0.2772576E-15 GRAD(Rho)y -0.1862049E-15 GRAD(Rho)z -0.2518873E-15 Laplacian 0.6692493E+00 (-1/4)Del**2(Rho)) -0.1673123E+00 Diamond 0.1419449E+01 Metallicity 0.4702909E+01 Ellipticity 0.2295415E-01 Gb(Abramov) 0.2426840E+00 Vb(Abramov) -0.3180557E+00 Hb(Abramov) -0.7537167E-01 Ex_ueg -0.6253524E-01 Ec_ueg -0.8890901E-02 Delta_ex -0.7256015E-01 Delta_ec 0.1657485E-01 Delta_et -0.2214751E+00 Pxc 0.7033622E+01 Qxc -0.4377725E+01 3,-1 181 3 -1 -1.970222 -0.885316 -3.015112 Rho 0.1485620E+00 |GRAD(Rho)| 0.6712118E-14 GRAD(Rho)x -0.3480248E-14 GRAD(Rho)y 0.4741704E-14 GRAD(Rho)z 0.3233674E-14 Laplacian 0.5848075E+00 (-1/4)Del**2(Rho)) -0.1462019E+00 Diamond 0.1180855E+01 Metallicity 0.4910358E+01 Ellipticity 0.3967392E-01 Gb(Abramov) 0.2171185E+00 Vb(Abramov) -0.2880351E+00 Hb(Abramov) -0.7091662E-01 Ex_ueg -0.5811149E-01 Ec_ueg -0.8351525E-02 Delta_ex -0.6274897E-01 Delta_ec 0.1504231E-01 Delta_et -0.2003573E+00 Pxc 0.6958190E+01 Qxc -0.4171498E+01 3,-1 182 3 -1 0.398922 0.392606 -0.428442 Rho 0.1430763E+00 |GRAD(Rho)| 0.2060779E-15 GRAD(Rho)x -0.4722222E-16 GRAD(Rho)y 0.1012934E-16 GRAD(Rho)z 0.2003386E-15 Laplacian 0.7818716E+00 (-1/4)Del**2(Rho)) -0.1954679E+00 Diamond 0.1828162E+01 Metallicity 0.3449508E+01 Ellipticity 0.1470649E-03 Gb(Abramov) 0.2426900E+00 Vb(Abramov) -0.2899120E+00 Hb(Abramov) -0.4722206E-01 Ex_ueg -0.5526820E-01 Ec_ueg -0.8001781E-02 Delta_ex -0.8651197E-01 Delta_ec 0.2634276E-01 Delta_et -0.3618099E+00 Pxc 0.6906987E+01 Qxc -0.3284089E+01 3,-1 183 3 -1 4.020490 -4.236933 0.293395 Rho 0.3275658E+00 |GRAD(Rho)| 0.1381524E-12 GRAD(Rho)x -0.3684221E-13 GRAD(Rho)y 0.1228988E-12 GRAD(Rho)z -0.5123108E-13 Laplacian -0.1815846E+01 (-1/4)Del**2(Rho)) 0.4539614E+00 Diamond 0.6381309E+01 Metallicity -0.5906975E+01 Ellipticity 0.2535335E-02 Gb(Abramov) 0.1442822E+00 Vb(Abramov) -0.7425257E+00 Hb(Abramov) -0.5982436E+00 Ex_ueg -0.1667694E+00 Ec_ueg -0.2070298E-01 Delta_ex 0.1830034E+00 Delta_ec 0.6244220E-01 Delta_et -0.1499902E+01 Pxc 0.8055335E+01 Qxc 0.2930766E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 100 122 123 99 93 153 173 101 89 73 120 152 124 78 86 172 128 129 80 125 127 85 159 131 154 134 180 165 155 147 106 113 133 114 132 146 151 117 118 56 119 58 167 150 149 166 148 116 179 59 169 138 181 140 64 139 174 178 62 141 162 175 163 136 176 157 115 137 161 158 164 156 145 170 182 171 142 130 121 183 177 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 21 25 26 45 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 23 27 28 55 54 2.472865 1.917906 1.932008 1.945791 1.988282 1.710211 2.367128 1.930086 1.958937 1.940912 1.936602 1.722308 2.361257 1.933508 1.968758 1.935661 1.931474 1.722464 2.425453 1.918166 1.923838 1.941968 1.965335 1.721133 2.239098 1.890595 1.894362 1.921693 1.894460 1.863099 2.385358 1.931415 1.936374 1.946902 1.949491 1.722982 2.282334 1.879262 1.888760 1.917060 1.906059 1.858139 2.385020 1.936826 1.934012 1.948085 1.943983 1.723222 2.364258 1.981683 1.928850 1.933246 1.927268 1.722202 2.433122 1.924719 1.930689 1.952039 1.937304 1.721186 2.424365 1.929046 1.927499 1.949201 1.940043 1.721632 2.363558 1.972020 1.932496 1.933933 1.934127 1.722105 1.650305 1.638971 1.639235 1.651485 3.231128 3.209589 3.221132 0.981395 0.981080 2.473396 1.918395 1.932526 1.946633 1.988791 1.710220 2.367762 1.930498 1.959279 1.941531 1.937267 1.722311 2.361898 1.933917 1.969096 1.936271 1.932091 1.722468 2.425991 1.918501 1.924194 1.942595 1.965691 1.721139 2.239901 1.891087 1.894848 1.922438 1.895175 1.865290 2.386027 1.931817 1.936725 1.947552 1.950109 1.722988 2.282873 1.879786 1.889246 1.917769 1.906783 1.859954 2.385691 1.937212 1.934412 1.948731 1.944598 1.723228 2.364921 1.982014 1.929226 1.933877 1.927827 1.722204 2.433659 1.925071 1.931102 1.952458 1.937965 1.721188 2.424908 1.929402 1.927889 1.949594 1.940646 1.721637 2.364211 1.972362 1.932867 1.934555 1.934737 1.722109 1.650365 1.638970 1.639238 1.651514 3.240418 3.223972 3.230420 0.981664 0.981352 29 27 25 26 27 20 27 25 23 25 27 22 27 25 23 25 23 22 27 23 23 23 23 24 25 23 25 26 23 23 27 26 23 25 23 24 27 23 23 23 23 23 27 25 23 25 23 23 27 25 23 23 23 21 27 23 25 25 26 20 27 23 26 23 23 22 27 23 23 23 25 20 25 20 20 22 35 35 35 17 18 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 Mo W W W W W W W W W W 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 O Si H H 2.4118 2.5290 2.5290 2.5294 2.6342 2.5304 2.6456 2.5274 2.5304 2.5287 2.5186 2.5293 -1.1640 -1.1780 -1.1778 -1.1675 -0.9447 -0.9249 -0.9254 -0.9470 -0.9477 -0.9467 -0.9479 -0.9132 -0.9268 -0.9136 -0.9469 -0.9261 -0.9292 -0.9381 -0.9386 -0.9282 -0.9054 -0.9355 -0.9421 -0.9358 -0.9387 -0.9263 -0.8999 -0.9384 -0.6406 -0.7212 -0.7217 -0.7219 -0.6792 -0.7272 -0.6735 -0.7269 -0.7202 -0.7219 -0.7229 -0.7206 2.5059 0.2983 0.3041 1.9342 2.0879 2.0885 2.0870 2.0827 2.0905 2.0779 2.0883 2.0883 2.0822 2.0856 2.0887 1.8951 1.8925 1.8923 1.8952 1.9361 1.9406 1.9407 1.9355 1.9355 1.9359 1.9354 1.9406 1.9397 1.9400 1.9355 1.9392 1.9526 1.9497 1.9496 1.9508 1.9512 1.9507 1.9486 1.9507 1.9495 1.9515 1.9533 1.9496 1.9894 1.9770 1.9770 1.9778 1.8777 1.9764 1.8771 1.9762 1.9772 1.9777 1.9775 1.9772 2.2825 0.6026 0.5975 6.0519 6.0821 6.0832 6.0821 6.0873 6.0819 6.0876 6.0804 6.0825 6.0803 6.0871 6.0823 5.2385 5.2553 5.2551 5.2422 4.9780 4.9530 4.9530 4.9810 4.9819 4.9795 4.9822 4.9433 4.9554 4.9451 4.9808 4.9553 4.9417 4.9546 4.9550 4.9427 4.9229 4.9499 4.9598 4.9502 4.9552 4.9402 4.9141 4.9548 4.6141 4.7053 4.7057 4.7050 4.7697 4.7121 4.7647 4.7120 4.7041 4.7052 4.7064 4.7045 6.6138 0.0991 0.0984 3.6022 3.2717 3.2700 3.2721 3.1643 3.2679 3.1574 3.2746 3.2696 3.2795 3.2794 3.2705 0.0304 0.0302 0.0303 0.0300 0.0306 0.0313 0.0318 0.0306 0.0303 0.0313 0.0303 0.0293 0.0316 0.0285 0.0306 0.0317 0.0348 0.0339 0.0339 0.0347 0.0312 0.0349 0.0337 0.0350 0.0340 0.0346 0.0325 0.0339 0.0371 0.0389 0.0389 0.0391 0.0317 0.0387 0.0317 0.0387 0.0390 0.0391 0.0390 0.0390 0.5977 0.0000 0.0000 0.0000 14.0293 14.0293 14.0293 14.0315 14.0292 14.0315 14.0292 14.0292 14.0293 14.0293 14.0292 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 Mo W W W W W W W W W W 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 O Si H H 3.189433 2.530168 2.530452 2.529081 2.582815 2.529234 2.581453 2.527931 2.529791 2.527417 2.527715 2.529541 -1.094357 -1.072632 -1.072936 -1.062767 -0.929636 -0.909530 -0.909596 -0.933027 -0.933468 -0.930356 -0.933579 -1.047584 -0.914422 -1.046383 -0.932435 -0.914052 -0.892576 -0.902999 -0.903178 -0.892583 -1.016199 -0.897195 -0.906719 -0.897195 -0.903292 -0.888310 -0.989676 -0.903105 -0.903685 -0.740314 -0.740560 -0.740930 -0.503140 -0.748141 -0.502329 -0.747924 -0.738955 -0.740674 -0.742028 -0.739103 1.768481 0.168049 0.166010 2.374705 1.952658 1.951255 1.951712 1.831955 1.948784 1.832656 1.953030 1.951239 1.956001 1.950658 1.952865 -0.808154 -0.785254 -0.782486 -0.762845 -0.694933 -0.652120 -0.658337 -0.695472 -0.694026 -0.695453 -0.694755 -0.797905 -0.661739 -0.795556 -0.696402 -0.656626 -0.693227 -0.731920 -0.732235 -0.693907 -0.818007 -0.728293 -0.729126 -0.728545 -0.728829 -0.691186 -0.778687 -0.733331 -0.656086 -0.619284 -0.619715 -0.620438 -0.641887 -0.631119 -0.635415 -0.628655 -0.617442 -0.617835 -0.618257 -0.618106 1.334552 0.448208 0.453316 2.455285 2.042567 2.043082 2.041318 2.030080 2.043382 2.041917 2.048468 2.042135 2.047539 2.047319 2.043221 -0.841081 -0.828143 -0.827035 -0.815829 -0.773599 -0.732146 -0.759125 -0.771398 -0.776298 -0.769618 -0.771051 -0.870030 -0.760608 -0.869610 -0.772785 -0.735963 -0.760878 -0.766984 -0.765433 -0.736818 -0.855251 -0.758637 -0.765736 -0.758549 -0.760435 -0.733545 -0.843806 -0.767111 -0.617380 -0.587359 -0.587601 -0.588648 -0.639268 -0.599086 -0.630890 -0.596630 -0.585248 -0.585336 -0.582595 -0.586351 1.290948 0.450680 0.465953 -0.59068850 -1.57264227 -0.47782363 1.74654861 16.11629235 -69.48746238 14.76422928 21.65922974 -18.73069775 -37.77552210 -421.4465 409.4219 -58.9758 -390.1154 -5.4729 -466.5887 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 Apr23-2024 17:06:51 Nodes: 1 Procs: 1 0 Apr23-2024 17:06:52 Nodes: 1 Procs: 1 Apr23-2024 17:06:52 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr23-2024 17:06:53 Nodes: 1 Procs: 1 Apr23-2024 17:06:53 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr23-2024 17:06:54 Nodes: 1 Procs: 1 Apr23-2024 17:06:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr23-2024 17:06:55 Nodes: 1 Procs: 1 Apr23-2024 17:06:56 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr23-2024 17:06:57 Nodes: 1 Procs: 28 *** (NO TITLE) *** -2 -16.58064948 -17.01085484 -17.01147122 -17.13177718 -17.14240653 -17.14460346 -17.14508819 -17.14540773 -17.14641482 -17.14654092 -17.14674913 -17.14680180 -17.14681845 -17.14682070 GEOMETRY CONVERGED