ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 01:01:44 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.03 0.39 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 01:01:44 Nodes: 1 Procs: 1 Apr23-2024 01:01:44 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 01:01:45 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 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 01:01:44 Nodes: 1 Procs: 1 Apr23-2024 01:01:44 Nodes: 1 Procs: 1 0 Apr23-2024 01:01:45 Nodes: 1 Procs: 1 Apr23-2024 01:01:45 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 01:01:46 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.66 0.04 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 01:01:44 Nodes: 1 Procs: 1 Apr23-2024 01:01:44 Nodes: 1 Procs: 1 0 Apr23-2024 01:01:45 Nodes: 1 Procs: 1 Apr23-2024 01:01:45 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr23-2024 01:01:46 Nodes: 1 Procs: 1 Apr23-2024 01:01:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 01:01:47 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.02 0.48 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 01:01:44 Nodes: 1 Procs: 1 Apr23-2024 01:01:44 Nodes: 1 Procs: 1 0 Apr23-2024 01:01:45 Nodes: 1 Procs: 1 Apr23-2024 01:01:45 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr23-2024 01:01:46 Nodes: 1 Procs: 1 Apr23-2024 01:01:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr23-2024 01:01:47 Nodes: 1 Procs: 1 Apr23-2024 01:01:47 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 01:01:48 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 0.03 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 01:01:44 Nodes: 1 Procs: 1 Apr23-2024 01:01:44 Nodes: 1 Procs: 1 0 Apr23-2024 01:01:45 Nodes: 1 Procs: 1 Apr23-2024 01:01:45 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr23-2024 01:01:46 Nodes: 1 Procs: 1 Apr23-2024 01:01:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr23-2024 01:01:47 Nodes: 1 Procs: 1 Apr23-2024 01:01:47 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr23-2024 01:01:48 Nodes: 1 Procs: 1 Apr23-2024 01:01:49 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr23-2024 01:01:50 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2786.241500000006 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3.732843 0.201807 -3.765846 3.755788 -0.220942 -3.732772 -3.716778 0.201322 -3.726586 0.219406 -3.719775 -3.747694 -0.213941 3.744860 3.722911 0.210969 3.724191 3.729538 -0.212442 -3.725239 -0.002797 0.005355 -0.021389 -4.087762 3.979531 -1.119442 1 3 -3 0.124516 -2.532740 2.524504 Rho 0.4361414E+07 3,-3 2 3 -3 -0.106402 -2.538148 -2.519977 Rho 0.4361414E+07 3,-3 3 3 -3 0.139854 2.512737 -2.546050 Rho 0.4361414E+07 3,-3 4 3 -3 -0.109466 2.523296 2.537467 Rho 0.4361414E+07 3,-3 5 3 -3 2.532904 -2.526317 0.119887 Rho 0.4361414E+07 3,-3 6 3 -3 2.519158 2.531057 -0.122588 Rho 0.4361414E+07 3,-3 7 3 -3 -2.471628 2.452499 0.132874 Rho 0.4361413E+07 3,-3 8 3 -3 -2.531638 -2.518715 -0.121458 Rho 0.4361414E+07 3,-3 9 3 -3 -2.504801 -0.149611 -2.557424 Rho 0.4361414E+07 3,-3 10 3 -3 2.527114 -0.115803 2.522407 Rho 0.4361414E+07 3,-3 11 3 -3 2.531441 0.113393 -2.525151 Rho 0.4361414E+07 3,-3 12 3 -3 -2.537799 0.085048 2.567560 Rho 0.1240649E+06 3,-3 13 3 -3 0.930208 -0.930559 0.952412 Rho 0.3186620E+03 3,-3 14 3 -3 -0.952495 -0.948239 -0.964663 Rho 0.3186587E+03 3,-3 15 3 -3 0.952256 0.950969 -0.967290 Rho 0.3186582E+03 3,-3 16 3 -3 -0.968661 0.985155 0.895325 Rho 0.3186572E+03 3,-3 17 3 -3 -3.007905 -1.143532 1.152104 Rho 0.3189535E+03 3,-3 18 3 -3 3.001258 -1.148563 -1.148867 Rho 0.3188778E+03 3,-3 19 3 -3 -2.968600 1.134240 -1.115493 Rho 0.3189391E+03 3,-3 20 3 -3 2.990929 1.153253 1.147720 Rho 0.3188789E+03 3,-3 21 3 -3 1.141406 -1.145483 -2.999491 Rho 0.3188800E+03 3,-3 22 3 -3 1.140044 1.155908 3.008798 Rho 0.3188805E+03 3,-3 23 3 -3 -1.146925 1.142564 -2.998942 Rho 0.3188777E+03 3,-3 24 3 -3 -1.159918 -1.156771 3.025626 Rho 0.3189601E+03 3,-3 25 3 -3 -1.138353 2.965931 -1.116105 Rho 0.3189291E+03 3,-3 26 3 -3 -1.153927 -2.984809 1.152444 Rho 0.3188837E+03 3,-3 27 3 -3 1.134055 3.001766 1.141806 Rho 0.3188793E+03 3,-3 28 3 -3 1.151806 -3.005442 -1.146449 Rho 0.3188781E+03 3,-3 29 3 -3 3.417448 -1.512641 1.517613 Rho 0.3189850E+03 3,-3 30 3 -3 -3.422819 -1.507426 -1.521023 Rho 0.3189895E+03 3,-3 31 3 -3 3.415789 1.519221 -1.522120 Rho 0.3189871E+03 3,-3 32 3 -3 -3.406600 1.524449 1.505146 Rho 0.3190741E+03 3,-3 33 3 -3 1.507652 -1.507932 3.418007 Rho 0.3189868E+03 3,-3 34 3 -3 1.518731 1.519924 -3.441398 Rho 0.3189910E+03 3,-3 35 3 -3 -1.521123 1.519159 3.409752 Rho 0.3190489E+03 3,-3 36 3 -3 -1.521209 -1.530147 -3.443084 Rho 0.3189920E+03 3,-3 37 3 -3 -1.517411 -3.416423 -1.516913 Rho 0.3189872E+03 3,-3 38 3 -3 -1.531910 3.405065 1.502067 Rho 0.3190204E+03 3,-3 39 3 -3 1.517222 -3.418527 1.514408 Rho 0.3189854E+03 3,-3 40 3 -3 1.510462 3.423696 -1.525418 Rho 0.3189896E+03 3,-3 41 3 -3 -0.198018 -3.734071 3.722032 Rho 0.3193973E+03 3,-3 42 3 -3 0.217240 -3.738568 -3.717892 Rho 0.3193972E+03 3,-3 43 3 -3 -0.227043 3.729976 -3.714033 Rho 0.3194032E+03 3,-3 44 3 -3 0.194844 3.737876 3.724797 Rho 0.3194042E+03 3,-3 45 3 -3 3.733460 -3.723447 -0.202019 Rho 0.3193993E+03 3,-3 46 3 -3 3.715962 3.732843 0.201807 Rho 0.3193949E+03 3,-3 47 3 -3 -3.765846 3.755788 -0.220942 Rho 0.3186747E+03 3,-3 48 3 -3 -3.732772 -3.716778 0.201322 Rho 0.3193952E+03 3,-3 49 3 -3 -3.726586 0.219406 -3.719775 Rho 0.3194045E+03 3,-3 50 3 -3 -3.747694 -0.213941 3.744860 Rho 0.3195520E+03 3,-3 51 3 -3 3.722911 0.210969 3.724191 Rho 0.3193965E+03 3,-3 52 3 -3 3.729538 -0.212442 -3.725239 Rho 0.3193962E+03 3,-3 53 3 -3 -0.002797 0.005355 -0.021389 Rho 0.1943299E+04 3,-3 54 3 -3 -4.087762 3.979531 -1.119442 Rho 0.4473138E+00 3,-3 55 3 +1 -2.166386 -1.242517 -1.210339 Rho 0.2922707E-01 |GRAD(Rho)| 0.2288734E-16 GRAD(Rho)x -0.2059072E-16 GRAD(Rho)y 0.8061755E-17 GRAD(Rho)z -0.5904313E-17 Laplacian 0.1145773E+00 (-1/4)Del**2(Rho)) -0.2864433E-01 Diamond 0.1834683E-01 Metallicity 0.1667848E+01 Ellipticity -0.4621769E+01 Gb(Abramov) 0.2705862E-01 Vb(Abramov) -0.2547291E-01 Hb(Abramov) 0.1585711E-02 Ex_ueg -0.6649139E-02 Ec_ueg -0.1303808E-02 Delta_ex -0.7410406E-02 Delta_ec 0.1907052E-02 Delta_et -0.1748488E-01 Pxc 0.5099785E+01 Qxc -0.3885792E+01 3,+1 56 3 +3 -2.316402 -0.036273 -0.005513 Rho 0.5007435E-02 |GRAD(Rho)| 0.5108284E-17 GRAD(Rho)x 0.3234976E-17 GRAD(Rho)y -0.3907601E-17 GRAD(Rho)z 0.6001253E-18 Laplacian 0.2112580E-01 (-1/4)Del**2(Rho)) -0.5281451E-02 Diamond 0.2100677E-03 Metallicity 0.4780706E+00 Ellipticity -0.2884497E+00 Gb(Abramov) 0.3941785E-02 Vb(Abramov) -0.2602119E-02 Hb(Abramov) 0.1339666E-02 Ex_ueg -0.6327111E-03 Ec_ueg -0.1472328E-03 Delta_ex -0.7878611E-03 Delta_ec 0.1960402E-03 Delta_et -0.1254803E-02 Pxc 0.4297353E+01 Qxc -0.4018875E+01 3,+3 57 3 -1 -2.735965 0.530275 -1.790224 Rho 0.1249525E+00 |GRAD(Rho)| 0.1401168E-12 GRAD(Rho)x 0.3105719E-13 GRAD(Rho)y -0.9060682E-13 GRAD(Rho)z -0.1022672E-12 Laplacian 0.5214694E+00 (-1/4)Del**2(Rho)) -0.1303674E+00 Diamond 0.8612938E+00 Metallicity 0.4126920E+01 Ellipticity 0.1582199E-01 Gb(Abramov) 0.1765808E+00 Vb(Abramov) -0.2227943E+00 Hb(Abramov) -0.4621349E-01 Ex_ueg -0.4613655E-01 Ec_ueg -0.6859969E-02 Delta_ex -0.5373363E-01 Delta_ec 0.1411997E-01 Delta_et -0.1832569E+00 Pxc 0.6725475E+01 Qxc -0.3805506E+01 3,-1 58 3 -1 -2.892451 0.030838 0.054376 Rho 0.5805153E-02 |GRAD(Rho)| 0.1919699E-15 GRAD(Rho)x 0.6119451E-16 GRAD(Rho)y 0.1497585E-15 GRAD(Rho)z 0.1033445E-15 Laplacian 0.2389479E-01 (-1/4)Del**2(Rho)) -0.5973696E-02 Diamond 0.7834687E-03 Metallicity 0.5407536E+00 Ellipticity 0.3218642E+01 Gb(Abramov) 0.4520847E-02 Vb(Abramov) -0.3067998E-02 Hb(Abramov) 0.1452849E-02 Ex_ueg -0.7705543E-03 Ec_ueg -0.1817247E-03 Delta_ex -0.1301000E-02 Delta_ec 0.8914360E-03 Delta_et -0.5007801E-02 Pxc 0.4240229E+01 Qxc -0.1459443E+01 3,-1 59 3 +1 -2.878792 0.143939 0.172884 Rho 0.5790297E-02 |GRAD(Rho)| 0.7473355E-17 GRAD(Rho)x -0.1095071E-17 GRAD(Rho)y 0.6445815E-17 GRAD(Rho)z -0.3619851E-17 Laplacian 0.2438563E-01 (-1/4)Del**2(Rho)) -0.6096407E-02 Diamond 0.6894185E-03 Metallicity 0.5276111E+00 Ellipticity -0.3551232E+01 Gb(Abramov) 0.4600360E-02 Vb(Abramov) -0.3104313E-02 Hb(Abramov) 0.1496047E-02 Ex_ueg -0.7679262E-03 Ec_ueg -0.1810794E-03 Delta_ex -0.1245092E-02 Delta_ec 0.7633412E-03 Delta_et -0.4333875E-02 Pxc 0.4240825E+01 Qxc -0.1631109E+01 3,+1 60 3 -1 -2.979244 0.842269 1.998928 Rho 0.1198122E+00 |GRAD(Rho)| 0.1076599E-15 GRAD(Rho)x -0.5122855E-16 GRAD(Rho)y -0.8752900E-16 GRAD(Rho)z -0.3612426E-16 Laplacian 0.4740173E+00 (-1/4)Del**2(Rho)) -0.1185043E+00 Diamond 0.7310259E+00 Metallicity 0.4233055E+01 Ellipticity 0.4868703E-01 Gb(Abramov) 0.1626087E+00 Vb(Abramov) -0.2067132E+00 Hb(Abramov) -0.4410443E-01 Ex_ueg -0.4362341E-01 Ec_ueg -0.6540105E-02 Delta_ex -0.4817893E-01 Delta_ec 0.1264116E-01 Delta_et -0.1623450E+00 Pxc 0.6670139E+01 Qxc -0.3811273E+01 3,-1 61 3 +1 -1.660525 0.483168 -0.550118 Rho 0.9742568E-02 |GRAD(Rho)| 0.2229155E-15 GRAD(Rho)x 0.1537026E-15 GRAD(Rho)y -0.2388271E-16 GRAD(Rho)z 0.1596761E-15 Laplacian 0.4032722E-01 (-1/4)Del**2(Rho)) -0.1008181E-01 Diamond 0.1238219E-02 Metallicity 0.7594000E+00 Ellipticity -0.1396818E+01 Gb(Abramov) 0.7997225E-02 Vb(Abramov) -0.5912643E-02 Hb(Abramov) 0.2084581E-02 Ex_ueg -0.1536796E-02 Ec_ueg -0.3563874E-03 Delta_ex -0.1886037E-02 Delta_ec 0.5394189E-03 Delta_et -0.3828400E-02 Pxc 0.4312151E+01 Qxc -0.3496424E+01 3,+1 62 3 +1 -0.512503 0.514672 -1.681869 Rho 0.9220817E-02 |GRAD(Rho)| 0.1595387E-14 GRAD(Rho)x 0.1194991E-14 GRAD(Rho)y 0.6776584E-15 GRAD(Rho)z 0.8111934E-15 Laplacian 0.3685323E-01 (-1/4)Del**2(Rho)) -0.9213308E-02 Diamond 0.1051543E-02 Metallicity 0.7581466E+00 Ellipticity -0.1414497E+01 Gb(Abramov) 0.7306379E-02 Vb(Abramov) -0.5399449E-02 Hb(Abramov) 0.1906930E-02 Ex_ueg -0.1428053E-02 Ec_ueg -0.3328420E-03 Delta_ex -0.1700103E-02 Delta_ec 0.4943717E-03 Delta_et -0.3459199E-02 Pxc 0.4290482E+01 Qxc -0.3438918E+01 3,+1 63 3 +1 -2.150837 0.996887 1.435642 Rho 0.2762579E-01 |GRAD(Rho)| 0.1740661E-15 GRAD(Rho)x -0.7980205E-16 GRAD(Rho)y -0.8719230E-16 GRAD(Rho)z 0.1277817E-15 Laplacian 0.1080849E+00 (-1/4)Del**2(Rho)) -0.2702122E-01 Diamond 0.1272760E-01 Metallicity 0.1609556E+01 Ellipticity -0.2002629E+01 Gb(Abramov) 0.2526284E-01 Vb(Abramov) -0.2350446E-01 Hb(Abramov) 0.1758381E-02 Ex_ueg -0.6167908E-02 Ec_ueg -0.1221806E-02 Delta_ex -0.6572547E-02 Delta_ec 0.1241231E-02 Delta_et -0.1131859E-01 Pxc 0.5048190E+01 Qxc -0.5295184E+01 3,+1 64 3 -1 -2.718906 1.742078 -0.534832 Rho 0.1619968E+00 |GRAD(Rho)| 0.2531343E-15 GRAD(Rho)x 0.4542807E-16 GRAD(Rho)y -0.9562663E-16 GRAD(Rho)z -0.2299322E-15 Laplacian 0.6923457E+00 (-1/4)Del**2(Rho)) -0.1730864E+00 Diamond 0.1529536E+01 Metallicity 0.4791454E+01 Ellipticity 0.1624729E-01 Gb(Abramov) 0.2536136E+00 Vb(Abramov) -0.3341407E+00 Hb(Abramov) -0.8052714E-01 Ex_ueg -0.6522190E-01 Ec_ueg -0.9215850E-02 Delta_ex -0.7569441E-01 Delta_ec 0.1708023E-01 Delta_et -0.2293128E+00 Pxc 0.7077145E+01 Qxc -0.4431697E+01 3,-1 65 3 +1 -1.687919 -0.497610 0.509564 Rho 0.8672143E-02 |GRAD(Rho)| 0.6090836E-15 GRAD(Rho)x 0.1036977E-15 GRAD(Rho)y -0.3836835E-15 GRAD(Rho)z -0.4615372E-15 Laplacian 0.3423037E-01 (-1/4)Del**2(Rho)) -0.8557593E-02 Diamond 0.9161432E-03 Metallicity 0.7369063E+00 Ellipticity -0.1424790E+01 Gb(Abramov) 0.6756086E-02 Vb(Abramov) -0.4954579E-02 Hb(Abramov) 0.1801507E-02 Ex_ueg -0.1315892E-02 Ec_ueg -0.3082092E-03 Delta_ex -0.1562457E-02 Delta_ec 0.4734071E-03 Delta_et -0.3249374E-02 Pxc 0.4269478E+01 Qxc -0.3300450E+01 3,+1 66 3 -1 0.382886 -0.381511 0.382528 Rho 0.1425239E+00 |GRAD(Rho)| 0.5139404E-11 GRAD(Rho)x -0.2952985E-11 GRAD(Rho)y 0.2775525E-11 GRAD(Rho)z -0.3160667E-11 Laplacian 0.7709434E+00 (-1/4)Del**2(Rho)) -0.1927358E+00 Diamond 0.1786720E+01 Metallicity 0.3475924E+01 Ellipticity 0.2317914E-02 Gb(Abramov) 0.2401464E+00 Vb(Abramov) -0.2875570E+00 Hb(Abramov) -0.4741057E-01 Ex_ueg -0.5498388E-01 Ec_ueg -0.7966668E-02 Delta_ex -0.8514695E-01 Delta_ec 0.2585305E-01 Delta_et -0.3545752E+00 Pxc 0.6901741E+01 Qxc -0.3293497E+01 3,-1 67 3 +3 -1.101126 -1.056426 1.108526 Rho 0.4933739E-02 |GRAD(Rho)| 0.5878972E-15 GRAD(Rho)x -0.3222592E-15 GRAD(Rho)y -0.4907982E-15 GRAD(Rho)z -0.2982107E-16 Laplacian 0.1925107E-01 (-1/4)Del**2(Rho)) -0.4812768E-02 Diamond 0.1316760E-03 Metallicity 0.5118214E+00 Ellipticity -0.8995507E-01 Gb(Abramov) 0.3619058E-02 Vb(Abramov) -0.2425349E-02 Hb(Abramov) 0.1193710E-02 Ex_ueg -0.6203259E-03 Ec_ueg -0.1440624E-03 Delta_ex -0.6623449E-03 Delta_ec 0.8425193E-04 Delta_et -0.6670595E-03 Pxc 0.4305952E+01 Qxc -0.7861480E+01 3,+3 68 3 +1 0.173029 0.172305 -2.882944 Rho 0.5674142E-02 |GRAD(Rho)| 0.4554094E-12 GRAD(Rho)x 0.9361569E-13 GRAD(Rho)y -0.4345016E-12 GRAD(Rho)z 0.9920750E-13 Laplacian 0.2358012E-01 (-1/4)Del**2(Rho)) -0.5895030E-02 Diamond 0.6129901E-03 Metallicity 0.5275142E+00 Ellipticity -0.2616679E+01 Gb(Abramov) 0.4448306E-02 Vb(Abramov) -0.3001581E-02 Hb(Abramov) 0.1446725E-02 Ex_ueg -0.7474555E-03 Ec_ueg -0.1760383E-03 Delta_ex -0.1171136E-02 Delta_ec 0.6880922E-03 Delta_et -0.3903051E-02 Pxc 0.4245983E+01 Qxc -0.1702005E+01 3,+1 69 3 +1 -2.889822 -0.201141 -0.186026 Rho 0.5704647E-02 |GRAD(Rho)| 0.8991423E-17 GRAD(Rho)x 0.1018158E-17 GRAD(Rho)y -0.7422335E-17 GRAD(Rho)z 0.4971719E-17 Laplacian 0.2411227E-01 (-1/4)Del**2(Rho)) -0.6028067E-02 Diamond 0.6117912E-03 Metallicity 0.5205028E+00 Ellipticity -0.2167358E+01 Gb(Abramov) 0.4541649E-02 Vb(Abramov) -0.3055231E-02 Hb(Abramov) 0.1486418E-02 Ex_ueg -0.7528181E-03 Ec_ueg -0.1773615E-03 Delta_ex -0.1183617E-02 Delta_ec 0.6764019E-03 Delta_et -0.3854531E-02 Pxc 0.4244540E+01 Qxc -0.1749873E+01 3,+1 70 3 +1 -0.526569 -1.663759 0.507215 Rho 0.8959726E-02 |GRAD(Rho)| 0.1102425E-16 GRAD(Rho)x 0.3529158E-17 GRAD(Rho)y -0.2555967E-17 GRAD(Rho)z 0.1012651E-16 Laplacian 0.3580129E-01 (-1/4)Del**2(Rho)) -0.8950323E-02 Diamond 0.9891356E-03 Metallicity 0.7439419E+00 Ellipticity -0.1410994E+01 Gb(Abramov) 0.7076636E-02 Vb(Abramov) -0.5202948E-02 Hb(Abramov) 0.1873688E-02 Ex_ueg -0.1374394E-02 Ec_ueg -0.3211038E-03 Delta_ex -0.1642391E-02 Delta_ec 0.4855029E-03 Delta_et -0.3368150E-02 Pxc 0.4280218E+01 Qxc -0.3382865E+01 3,+1 71 3 -1 -1.708784 -1.699922 -0.538241 Rho 0.5020006E-01 |GRAD(Rho)| 0.2640087E-16 GRAD(Rho)x -0.2423192E-16 GRAD(Rho)y 0.8368686E-18 GRAD(Rho)z -0.1044603E-16 Laplacian 0.1944716E+00 (-1/4)Del**2(Rho)) -0.4861790E-01 Diamond 0.9626717E-01 Metallicity 0.2420643E+01 Ellipticity 0.7360936E-02 Gb(Abramov) 0.5202636E-01 Vb(Abramov) -0.5543482E-01 Hb(Abramov) -0.3408464E-02 Ex_ueg -0.1367700E-01 Ec_ueg -0.2425936E-02 Delta_ex -0.1590126E-01 Delta_ec 0.5575976E-02 Delta_et -0.5879600E-01 Pxc 0.5637823E+01 Qxc -0.2851744E+01 3,-1 72 3 +1 -1.747026 -1.726544 1.753162 Rho 0.1217913E-01 |GRAD(Rho)| 0.9399153E-16 GRAD(Rho)x -0.2859203E-16 GRAD(Rho)y -0.4464211E-16 GRAD(Rho)z -0.7761434E-16 Laplacian 0.6152851E-01 (-1/4)Del**2(Rho)) -0.1538213E-01 Diamond 0.2518346E-02 Metallicity 0.7220447E+00 Ellipticity -0.1242294E+01 Gb(Abramov) 0.1210585E-01 Vb(Abramov) -0.8829571E-02 Hb(Abramov) 0.3276279E-02 Ex_ueg -0.2069539E-02 Ec_ueg -0.4678448E-03 Delta_ex -0.3036892E-02 Delta_ec 0.7997878E-03 Delta_et -0.6017958E-02 Pxc 0.4423559E+01 Qxc -0.3797122E+01 3,+1 73 3 -1 -1.969150 -0.885392 -3.012368 Rho 0.1544396E+00 |GRAD(Rho)| 0.1833354E-15 GRAD(Rho)x -0.1029314E-15 GRAD(Rho)y 0.1345224E-15 GRAD(Rho)z -0.7014788E-16 Laplacian 0.6062732E+00 (-1/4)Del**2(Rho)) -0.1515683E+00 Diamond 0.1281153E+01 Metallicity 0.5052922E+01 Ellipticity 0.4568539E-01 Gb(Abramov) 0.2286893E+00 Vb(Abramov) -0.3058104E+00 Hb(Abramov) -0.7712103E-01 Ex_ueg -0.6119698E-01 Ec_ueg -0.8728316E-02 Delta_ex -0.6566114E-01 Delta_ec 0.1542047E-01 Delta_et -0.2064560E+00 Pxc 0.7011316E+01 Qxc -0.4258049E+01 3,-1 74 3 +1 -1.177470 -1.274384 -2.183312 Rho 0.2878247E-01 |GRAD(Rho)| 0.1623808E-14 GRAD(Rho)x -0.1021944E-14 GRAD(Rho)y 0.1182414E-14 GRAD(Rho)z 0.4407714E-15 Laplacian 0.1109585E+00 (-1/4)Del**2(Rho)) -0.2773963E-01 Diamond 0.1692023E-01 Metallicity 0.1678801E+01 Ellipticity -0.4010249E+01 Gb(Abramov) 0.2625464E-01 Vb(Abramov) -0.2476965E-01 Hb(Abramov) 0.1484991E-02 Ex_ueg -0.6514619E-02 Ec_ueg -0.1280978E-02 Delta_ex -0.7103872E-02 Delta_ec 0.1770397E-02 Delta_et -0.1618293E-01 Pxc 0.5085661E+01 Qxc -0.4012586E+01 3,+1 75 3 +1 -0.145386 -2.880719 -0.142068 Rho 0.5460894E-02 |GRAD(Rho)| 0.2258326E-12 GRAD(Rho)x -0.2072019E-12 GRAD(Rho)y -0.4480002E-13 GRAD(Rho)z 0.7785054E-13 Laplacian 0.2261817E-01 (-1/4)Del**2(Rho)) -0.5654541E-02 Diamond 0.5911545E-03 Metallicity 0.5159355E+00 Ellipticity -0.3414066E+01 Gb(Abramov) 0.4255924E-02 Vb(Abramov) -0.2857307E-02 Hb(Abramov) 0.1398617E-02 Ex_ueg -0.7102372E-03 Ec_ueg -0.1668006E-03 Delta_ex -0.1141748E-02 Delta_ec 0.7082500E-03 Delta_et -0.3951101E-02 Pxc 0.4258002E+01 Qxc -0.1612069E+01 3,+1 76 3 +1 -1.359331 1.101759 2.131077 Rho 0.2609368E-01 |GRAD(Rho)| 0.4112302E-15 GRAD(Rho)x -0.3001556E-15 GRAD(Rho)y -0.2808225E-15 GRAD(Rho)z 0.1247494E-16 Laplacian 0.1005105E+00 (-1/4)Del**2(Rho)) -0.2512764E-01 Diamond 0.1348767E-01 Metallicity 0.1573840E+01 Ellipticity -0.3509912E+01 Gb(Abramov) 0.2334290E-01 Vb(Abramov) -0.2155817E-01 Hb(Abramov) 0.1784734E-02 Ex_ueg -0.5716087E-02 Ec_ueg -0.1143935E-02 Delta_ex -0.6276407E-02 Delta_ec 0.1622021E-02 Delta_et -0.1448489E-01 Pxc 0.4996862E+01 Qxc -0.3869499E+01 3,+1 77 3 -1 -1.804953 -0.571478 2.791424 Rho 0.1413759E+00 |GRAD(Rho)| 0.1476491E-15 GRAD(Rho)x 0.8208766E-16 GRAD(Rho)y -0.1052218E-15 GRAD(Rho)z -0.6316833E-16 Laplacian 0.5970389E+00 (-1/4)Del**2(Rho)) -0.1492597E+00 Diamond 0.1114053E+01 Metallicity 0.4428293E+01 Ellipticity 0.1573390E-01 Gb(Abramov) 0.2096674E+00 Vb(Abramov) -0.2700752E+00 Hb(Abramov) -0.6040772E-01 Ex_ueg -0.5439417E-01 Ec_ueg -0.7893756E-02 Delta_ex -0.6305571E-01 Delta_ec 0.1512480E-01 Delta_et -0.1991098E+00 Pxc 0.6890785E+01 Qxc -0.4169028E+01 3,-1 78 3 +3 -0.064054 0.043945 2.308601 Rho 0.4583403E-02 |GRAD(Rho)| 0.2393821E-16 GRAD(Rho)x -0.1853212E-16 GRAD(Rho)y 0.4130788E-17 GRAD(Rho)z 0.1457859E-16 Laplacian 0.1878114E-01 (-1/4)Del**2(Rho)) -0.4695286E-02 Diamond 0.1609977E-03 Metallicity 0.4640213E+00 Ellipticity -0.2504420E+00 Gb(Abramov) 0.3493309E-02 Vb(Abramov) -0.2291333E-02 Hb(Abramov) 0.1201976E-02 Ex_ueg -0.5623014E-03 Ec_ueg -0.1290292E-03 Delta_ex -0.6799075E-03 Delta_ec 0.1657030E-03 Delta_et -0.1050279E-02 Pxc 0.4357938E+01 Qxc -0.4103169E+01 3,+3 79 3 -1 -1.726349 0.533020 1.703627 Rho 0.3963194E-01 |GRAD(Rho)| 0.5869519E-16 GRAD(Rho)x 0.3298431E-16 GRAD(Rho)y 0.1198848E-16 GRAD(Rho)z -0.4704717E-16 Laplacian 0.1571174E+00 (-1/4)Del**2(Rho)) -0.3927934E-01 Diamond 0.5801727E-01 Metallicity 0.2020526E+01 Ellipticity 0.1255254E-01 Gb(Abramov) 0.3941372E-01 Vb(Abramov) -0.3954809E-01 Hb(Abramov) -0.1343761E-03 Ex_ueg -0.9979577E-02 Ec_ueg -0.1850340E-02 Delta_ex -0.1220062E-01 Delta_ec 0.4683508E-02 Delta_et -0.4642946E-01 Pxc 0.5393375E+01 Qxc -0.2605016E+01 3,-1 80 3 +1 0.483111 0.556604 1.659983 Rho 0.8591171E-02 |GRAD(Rho)| 0.7983189E-13 GRAD(Rho)x 0.3596162E-13 GRAD(Rho)y 0.3729776E-13 GRAD(Rho)z 0.6073524E-13 Laplacian 0.3390783E-01 (-1/4)Del**2(Rho)) -0.8476957E-02 Diamond 0.8805650E-03 Metallicity 0.7323756E+00 Ellipticity -0.1402912E+01 Gb(Abramov) 0.6686024E-02 Vb(Abramov) -0.4895091E-02 Hb(Abramov) 0.1790933E-02 Ex_ueg -0.1299536E-02 Ec_ueg -0.3045851E-03 Delta_ex -0.1537096E-02 Delta_ec 0.4565295E-03 Delta_et -0.3136284E-02 Pxc 0.4266577E+01 Qxc -0.3366915E+01 3,+1 81 3 -1 -1.695365 -0.542332 -1.725774 Rho 0.5238057E-01 |GRAD(Rho)| 0.1721607E-15 GRAD(Rho)x -0.9404480E-16 GRAD(Rho)y 0.7695845E-16 GRAD(Rho)z -0.1219520E-15 Laplacian 0.2040501E+00 (-1/4)Del**2(Rho)) -0.5101253E-01 Diamond 0.1071823E+00 Metallicity 0.2476434E+01 Ellipticity 0.6899468E-02 Gb(Abramov) 0.5506321E-01 Vb(Abramov) -0.5911390E-01 Hb(Abramov) -0.4050681E-02 Ex_ueg -0.1447478E-01 Ec_ueg -0.2546880E-02 Delta_ex -0.1687221E-01 Delta_ec 0.5860194E-02 Delta_et -0.6247600E-01 Pxc 0.5683340E+01 Qxc -0.2879122E+01 3,-1 82 3 +1 -0.170058 -0.171875 -2.882211 Rho 0.5686706E-02 |GRAD(Rho)| 0.1696943E-16 GRAD(Rho)x -0.1788369E-17 GRAD(Rho)y -0.1686788E-16 GRAD(Rho)z -0.4875683E-18 Laplacian 0.2358488E-01 (-1/4)Del**2(Rho)) -0.5896219E-02 Diamond 0.6232245E-03 Metallicity 0.5293557E+00 Ellipticity -0.2842103E+01 Gb(Abramov) 0.4451012E-02 Vb(Abramov) -0.3005805E-02 Hb(Abramov) 0.1445207E-02 Ex_ueg -0.7496631E-03 Ec_ueg -0.1765832E-03 Delta_ex -0.1178373E-02 Delta_ec 0.6997972E-03 Delta_et -0.3967090E-02 Pxc 0.4245381E+01 Qxc -0.1683878E+01 3,+1 83 3 +3 0.001504 0.000459 -2.329997 Rho 0.5003316E-02 |GRAD(Rho)| 0.3933811E-17 GRAD(Rho)x 0.2597843E-17 GRAD(Rho)y -0.2690623E-17 GRAD(Rho)z 0.1219273E-17 Laplacian 0.2075915E-01 (-1/4)Del**2(Rho)) -0.5189787E-02 Diamond 0.2048470E-03 Metallicity 0.4858477E+00 Ellipticity -0.2502488E+00 Gb(Abramov) 0.3880099E-02 Vb(Abramov) -0.2570411E-02 Hb(Abramov) 0.1309688E-02 Ex_ueg -0.6320173E-03 Ec_ueg -0.1470555E-03 Delta_ex -0.7727762E-03 Delta_ec 0.1904113E-03 Delta_et -0.1221590E-02 Pxc 0.4297815E+01 Qxc -0.4058457E+01 3,+3 84 3 -1 -0.395859 -0.388659 -0.412007 Rho 0.1416765E+00 |GRAD(Rho)| 0.8855226E-15 GRAD(Rho)x -0.4799068E-15 GRAD(Rho)y -0.7261303E-15 GRAD(Rho)z -0.1630169E-15 Laplacian 0.7666110E+00 (-1/4)Del**2(Rho)) -0.1916527E+00 Diamond 0.1768359E+01 Metallicity 0.3460997E+01 Ellipticity 0.1079034E-02 Gb(Abramov) 0.2383201E+00 Vb(Abramov) -0.2849874E+00 Hb(Abramov) -0.4666734E-01 Ex_ueg -0.5454842E-01 Ec_ueg -0.7912838E-02 Delta_ex -0.8459975E-01 Delta_ec 0.2582496E-01 Delta_et -0.3539043E+00 Pxc 0.6893661E+01 Qxc -0.3275891E+01 3,-1 85 3 +1 -0.570543 -0.475776 1.674031 Rho 0.8168946E-02 |GRAD(Rho)| 0.9501215E-17 GRAD(Rho)x 0.9214492E-17 GRAD(Rho)y 0.2255746E-17 GRAD(Rho)z 0.5271045E-18 Laplacian 0.3201110E-01 (-1/4)Del**2(Rho)) -0.8002775E-02 Diamond 0.7923123E-03 Metallicity 0.7132732E+00 Ellipticity -0.1412486E+01 Gb(Abramov) 0.6286545E-02 Vb(Abramov) -0.4570314E-02 Hb(Abramov) 0.1716231E-02 Ex_ueg -0.1215084E-02 Ec_ueg -0.2857350E-03 Delta_ex -0.1440442E-02 Delta_ec 0.4449468E-03 Delta_et -0.3005717E-02 Pxc 0.4252487E+01 Qxc -0.3237334E+01 3,+1 86 3 -1 0.006009 -0.018484 2.912421 Rho 0.5380431E-02 |GRAD(Rho)| 0.5083799E-15 GRAD(Rho)x 0.3320953E-15 GRAD(Rho)y -0.3008506E-15 GRAD(Rho)z -0.2401077E-15 Laplacian 0.2180311E-01 (-1/4)Del**2(Rho)) -0.5450776E-02 Diamond 0.6432307E-03 Metallicity 0.5221436E+00 Ellipticity 0.4745335E+01 Gb(Abramov) 0.4108199E-02 Vb(Abramov) -0.2765621E-02 Hb(Abramov) 0.1342578E-02 Ex_ueg -0.6963183E-03 Ec_ueg -0.1633209E-03 Delta_ex -0.1168688E-02 Delta_ec 0.8099846E-03 Delta_et -0.4447307E-02 Pxc 0.4263499E+01 Qxc -0.1442852E+01 3,-1 87 3 +1 1.727173 1.739520 1.738121 Rho 0.1228620E-01 |GRAD(Rho)| 0.1652261E-16 GRAD(Rho)x -0.3373664E-17 GRAD(Rho)y 0.1222003E-16 GRAD(Rho)z -0.1059650E-16 Laplacian 0.6198247E-01 (-1/4)Del**2(Rho)) -0.1549562E-01 Diamond 0.2556127E-02 Metallicity 0.7272887E+00 Ellipticity -0.1244303E+01 Gb(Abramov) 0.1220871E-01 Vb(Abramov) -0.8921801E-02 Hb(Abramov) 0.3286908E-02 Ex_ueg -0.2093832E-02 Ec_ueg -0.4727970E-03 Delta_ex -0.3063174E-02 Delta_ec 0.7999675E-03 Delta_et -0.6036526E-02 Pxc 0.4428606E+01 Qxc -0.3829123E+01 3,+1 88 3 +1 2.164756 1.238249 -1.217433 Rho 0.2927178E-01 |GRAD(Rho)| 0.1940919E-13 GRAD(Rho)x 0.1786953E-13 GRAD(Rho)y 0.7443475E-14 GRAD(Rho)z 0.1411112E-14 Laplacian 0.1153466E+00 (-1/4)Del**2(Rho)) -0.2883664E-01 Diamond 0.1875115E-01 Metallicity 0.1660951E+01 Ellipticity -0.4985270E+01 Gb(Abramov) 0.2720714E-01 Vb(Abramov) -0.2557763E-01 Hb(Abramov) 0.1629503E-02 Ex_ueg -0.6662703E-02 Ec_ueg -0.1306106E-02 Delta_ex -0.7484554E-02 Delta_ec 0.1957907E-02 Delta_et -0.1795334E-01 Pxc 0.5101197E+01 Qxc -0.3822733E+01 3,+1 89 3 +3 -1.074736 1.070375 -1.132268 Rho 0.5389276E-02 |GRAD(Rho)| 0.2715006E-15 GRAD(Rho)x -0.1377565E-15 GRAD(Rho)y -0.6814959E-16 GRAD(Rho)z -0.2238109E-15 Laplacian 0.2187304E-01 (-1/4)Del**2(Rho)) -0.5468261E-02 Diamond 0.1671948E-03 Metallicity 0.5219009E+00 Ellipticity -0.1523213E+00 Gb(Abramov) 0.4121156E-02 Vb(Abramov) -0.2774050E-02 Hb(Abramov) 0.1347105E-02 Ex_ueg -0.6978450E-03 Ec_ueg -0.1637032E-03 Delta_ex -0.7698797E-03 Delta_ec 0.9322174E-04 Delta_et -0.7564063E-03 Pxc 0.4262867E+01 Qxc -0.8258585E+01 3,+3 90 3 +3 1.075285 1.094721 1.091794 Rho 0.5075597E-02 |GRAD(Rho)| 0.2907284E-15 GRAD(Rho)x 0.9767578E-16 GRAD(Rho)y 0.2169636E-15 GRAD(Rho)z 0.1670605E-15 Laplacian 0.1992231E-01 (-1/4)Del**2(Rho)) -0.4980578E-02 Diamond 0.1399329E-03 Metallicity 0.5185038E+00 Ellipticity -0.7166255E-01 Gb(Abramov) 0.3750793E-02 Vb(Abramov) -0.2521009E-02 Hb(Abramov) 0.1229784E-02 Ex_ueg -0.6442205E-03 Ec_ueg -0.1501675E-03 Delta_ex -0.6892827E-03 Delta_ec 0.8437763E-04 Delta_et -0.6794611E-03 Pxc 0.4290013E+01 Qxc -0.8169023E+01 3,+3 91 3 -1 -0.403077 0.412270 0.353835 Rho 0.1382766E+00 |GRAD(Rho)| 0.2716436E-12 GRAD(Rho)x 0.1680346E-12 GRAD(Rho)y -0.1569919E-12 GRAD(Rho)z -0.1445965E-12 Laplacian 0.7348954E+00 (-1/4)Del**2(Rho)) -0.1837239E+00 Diamond 0.1646947E+01 Metallicity 0.3467120E+01 Ellipticity 0.1412834E-01 Gb(Abramov) 0.2286480E+00 Vb(Abramov) -0.2735721E+00 Hb(Abramov) -0.4492415E-01 Ex_ueg -0.5281006E-01 Ec_ueg -0.7697325E-02 Delta_ex -0.8065679E-01 Delta_ec 0.2489743E-01 Delta_et -0.3395400E+00 Pxc 0.6860833E+01 Qxc -0.3239563E+01 3,-1 92 3 +1 -0.163157 0.148481 2.912308 Rho 0.5350823E-02 |GRAD(Rho)| 0.9973980E-17 GRAD(Rho)x -0.8447520E-17 GRAD(Rho)y -0.5160353E-17 GRAD(Rho)z 0.1220835E-17 Laplacian 0.2218023E-01 (-1/4)Del**2(Rho)) -0.5545058E-02 Diamond 0.5692889E-03 Metallicity 0.5085668E+00 Ellipticity -0.3183247E+01 Gb(Abramov) 0.4166711E-02 Vb(Abramov) -0.2788363E-02 Hb(Abramov) 0.1378347E-02 Ex_ueg -0.6912139E-03 Ec_ueg -0.1620412E-03 Delta_ex -0.1119637E-02 Delta_ec 0.7024757E-03 Delta_et -0.3891847E-02 Pxc 0.4265667E+01 Qxc -0.1593845E+01 3,+1 93 3 -1 0.563613 -2.771259 -1.784158 Rho 0.1465837E+00 |GRAD(Rho)| 0.6248548E-13 GRAD(Rho)x 0.5453401E-14 GRAD(Rho)y 0.3134640E-13 GRAD(Rho)z 0.5377824E-13 Laplacian 0.6201144E+00 (-1/4)Del**2(Rho)) -0.1550286E+00 Diamond 0.1227671E+01 Metallicity 0.4528460E+01 Ellipticity 0.9058746E-02 Gb(Abramov) 0.2203592E+00 Vb(Abramov) -0.2856898E+00 Hb(Abramov) -0.6533061E-01 Ex_ueg -0.5708199E-01 Ec_ueg -0.8225178E-02 Delta_ex -0.6627345E-01 Delta_ec 0.1592106E-01 Delta_et -0.2114701E+00 Pxc 0.6939909E+01 Qxc -0.4162627E+01 3,-1 94 3 +1 0.520836 -1.670813 -0.520038 Rho 0.8871205E-02 |GRAD(Rho)| 0.1071300E-15 GRAD(Rho)x -0.8918117E-16 GRAD(Rho)y 0.5846634E-16 GRAD(Rho)z -0.1025859E-16 Laplacian 0.3507510E-01 (-1/4)Del**2(Rho)) -0.8768774E-02 Diamond 0.9531136E-03 Metallicity 0.7468820E+00 Ellipticity -0.1414924E+01 Gb(Abramov) 0.6937389E-02 Vb(Abramov) -0.5106004E-02 Hb(Abramov) 0.1831385E-02 Ex_ueg -0.1356319E-02 Ec_ueg -0.3171308E-03 Delta_ex -0.1603736E-02 Delta_ec 0.4734015E-03 Delta_et -0.3277808E-02 Pxc 0.4276844E+01 Qxc -0.3387687E+01 3,+1 95 3 -1 0.557175 -1.792135 -2.759533 Rho 0.1431231E+00 |GRAD(Rho)| 0.4014321E-13 GRAD(Rho)x -0.3842801E-13 GRAD(Rho)y 0.2235964E-14 GRAD(Rho)z -0.1139148E-13 Laplacian 0.6044537E+00 (-1/4)Del**2(Rho)) -0.1511134E+00 Diamond 0.1160923E+01 Metallicity 0.4464434E+01 Ellipticity 0.8121954E-02 Gb(Abramov) 0.2131816E+00 Vb(Abramov) -0.2752498E+00 Hb(Abramov) -0.6206817E-01 Ex_ueg -0.5529231E-01 Ec_ueg -0.8004757E-02 Delta_ex -0.6420366E-01 Delta_ec 0.1557438E-01 Delta_et -0.2060660E+00 Pxc 0.6907431E+01 Qxc -0.4122389E+01 3,-1 96 3 +1 1.736021 -1.737539 -1.735874 Rho 0.1228669E-01 |GRAD(Rho)| 0.1708310E-16 GRAD(Rho)x -0.1510148E-16 GRAD(Rho)y 0.3540141E-17 GRAD(Rho)z -0.7158558E-17 Laplacian 0.6202929E-01 (-1/4)Del**2(Rho)) -0.1550732E-01 Diamond 0.2559148E-02 Metallicity 0.7267880E+00 Ellipticity -0.1242594E+01 Gb(Abramov) 0.1221664E-01 Vb(Abramov) -0.8925953E-02 Hb(Abramov) 0.3290685E-02 Ex_ueg -0.2093943E-02 Ec_ueg -0.4728197E-03 Delta_ex -0.3065786E-02 Delta_ec 0.8010471E-03 Delta_et -0.6044369E-02 Pxc 0.4428629E+01 Qxc -0.3827223E+01 3,+1 97 3 +1 1.211675 -1.209414 2.163452 Rho 0.2878588E-01 |GRAD(Rho)| 0.1922213E-14 GRAD(Rho)x 0.1341686E-14 GRAD(Rho)y 0.1376481E-14 GRAD(Rho)z -0.9080542E-17 Laplacian 0.1132302E+00 (-1/4)Del**2(Rho)) -0.2830755E-01 Diamond 0.1798121E-01 Metallicity 0.1645445E+01 Ellipticity -0.4837363E+01 Gb(Abramov) 0.2663479E-01 Vb(Abramov) -0.2496202E-01 Hb(Abramov) 0.1672763E-02 Ex_ueg -0.6515650E-02 Ec_ueg -0.1281153E-02 Delta_ex -0.7313595E-02 Delta_ec 0.1920999E-02 Delta_et -0.1754492E-01 Pxc 0.5085770E+01 Qxc -0.3807183E+01 3,+1 98 3 +3 -0.001380 -2.323238 -0.003223 Rho 0.4801174E-02 |GRAD(Rho)| 0.6910956E-14 GRAD(Rho)x -0.3366244E-14 GRAD(Rho)y 0.5033570E-14 GRAD(Rho)z -0.3330600E-14 Laplacian 0.1985905E-01 (-1/4)Del**2(Rho)) -0.4964762E-02 Diamond 0.1880184E-03 Metallicity 0.4741334E+00 Ellipticity -0.2424128E+00 Gb(Abramov) 0.3702168E-02 Vb(Abramov) -0.2439574E-02 Hb(Abramov) 0.1262594E-02 Ex_ueg -0.5982026E-03 Ec_ueg -0.1383666E-03 Delta_ex -0.7341461E-03 Delta_ec 0.1869380E-03 Delta_et -0.1180934E-02 Pxc 0.4323318E+01 Qxc -0.3927217E+01 3,+3 99 3 -1 0.521546 -1.697998 1.705026 Rho 0.4976158E-01 |GRAD(Rho)| 0.5095759E-16 GRAD(Rho)x 0.2099922E-16 GRAD(Rho)y -0.4347947E-16 GRAD(Rho)z 0.1628633E-16 Laplacian 0.1923708E+00 (-1/4)Del**2(Rho)) -0.4809271E-01 Diamond 0.9417041E-01 Metallicity 0.2411557E+01 Ellipticity 0.7899814E-02 Gb(Abramov) 0.5139152E-01 Vb(Abramov) -0.5469034E-01 Hb(Abramov) -0.3298815E-02 Ex_ueg -0.1351794E-01 Ec_ueg -0.2401699E-02 Delta_ex -0.1569767E-01 Delta_ec 0.5521755E-02 Delta_et -0.5809417E-01 Pxc 0.5628491E+01 Qxc -0.2842876E+01 3,-1 100 3 -1 0.859502 -1.975202 2.982034 Rho 0.1441694E+00 |GRAD(Rho)| 0.6622577E-15 GRAD(Rho)x 0.6154609E-15 GRAD(Rho)y 0.2098338E-15 GRAD(Rho)z 0.1255506E-15 Laplacian 0.5698861E+00 (-1/4)Del**2(Rho)) -0.1424715E+00 Diamond 0.1108347E+01 Metallicity 0.4793069E+01 Ellipticity 0.3703808E-01 Gb(Abramov) 0.2087937E+00 Vb(Abramov) -0.2751158E+00 Hb(Abramov) -0.6632214E-01 Ex_ueg -0.5583193E-01 Ec_ueg -0.8071324E-02 Delta_ex -0.6068381E-01 Delta_ec 0.1473622E-01 Delta_et -0.1953562E+00 Pxc 0.6917319E+01 Qxc -0.4118003E+01 3,-1 101 3 +1 0.118629 -0.130005 2.904413 Rho 0.5370438E-02 |GRAD(Rho)| 0.1238514E-14 GRAD(Rho)x 0.8901304E-15 GRAD(Rho)y -0.8610847E-15 GRAD(Rho)z -0.1081162E-16 Laplacian 0.2209823E-01 (-1/4)Del**2(Rho)) -0.5524557E-02 Diamond 0.5776570E-03 Metallicity 0.5135767E+00 Ellipticity -0.4146576E+01 Gb(Abramov) 0.4155918E-02 Vb(Abramov) -0.2787280E-02 Hb(Abramov) 0.1368638E-02 Ex_ueg -0.6945945E-03 Ec_ueg -0.1628889E-03 Delta_ex -0.1122771E-02 Delta_ec 0.7114458E-03 Delta_et -0.3941263E-02 Pxc 0.4264222E+01 Qxc -0.1578154E+01 3,+1 102 3 +1 0.512901 -0.513836 -1.680092 Rho 0.9194838E-02 |GRAD(Rho)| 0.1205017E-16 GRAD(Rho)x 0.2257851E-17 GRAD(Rho)y 0.1653789E-17 GRAD(Rho)z -0.1172065E-16 Laplacian 0.3668554E-01 (-1/4)Del**2(Rho)) -0.9171384E-02 Diamond 0.1041647E-02 Metallicity 0.7580394E+00 Ellipticity -0.1414046E+01 Gb(Abramov) 0.7272968E-02 Vb(Abramov) -0.5374551E-02 Hb(Abramov) 0.1898416E-02 Ex_ueg -0.1422691E-02 Ec_ueg -0.3316727E-03 Delta_ex -0.1690694E-02 Delta_ec 0.4913221E-03 Delta_et -0.3436079E-02 Pxc 0.4289441E+01 Qxc -0.3441111E+01 3,+1 103 3 +3 1.095285 -1.097582 -1.089077 Rho 0.5149394E-02 |GRAD(Rho)| 0.4152818E-17 GRAD(Rho)x 0.3426011E-17 GRAD(Rho)y -0.5237938E-18 GRAD(Rho)z 0.2287791E-17 Laplacian 0.2021387E-01 (-1/4)Del**2(Rho)) -0.5053466E-02 Diamond 0.1437211E-03 Metallicity 0.5234686E+00 Ellipticity -0.1210809E-01 Gb(Abramov) 0.3809866E-02 Vb(Abramov) -0.2566266E-02 Hb(Abramov) 0.1243600E-02 Ex_ueg -0.6567396E-03 Ec_ueg -0.1533475E-03 Delta_ex -0.7012105E-03 Delta_ec 0.8386285E-04 Delta_et -0.6821789E-03 Pxc 0.4282689E+01 Qxc -0.8361396E+01 3,+3 104 3 +1 1.669956 -0.520751 -0.518496 Rho 0.8927697E-02 |GRAD(Rho)| 0.1395627E-16 GRAD(Rho)x -0.3996634E-17 GRAD(Rho)y -0.9129144E-17 GRAD(Rho)z 0.9770530E-17 Laplacian 0.3537418E-01 (-1/4)Del**2(Rho)) -0.8843545E-02 Diamond 0.9701897E-03 Metallicity 0.7484438E+00 Ellipticity -0.1415782E+01 Gb(Abramov) 0.6998846E-02 Vb(Abramov) -0.5154147E-02 Hb(Abramov) 0.1844699E-02 Ex_ueg -0.1367847E-02 Ec_ueg -0.3196659E-03 Delta_ex -0.1620291E-02 Delta_ec 0.4778881E-03 Delta_et -0.3313828E-02 Pxc 0.4278990E+01 Qxc -0.3390524E+01 3,+1 105 3 +1 2.882743 -0.145778 0.146894 Rho 0.5508439E-02 |GRAD(Rho)| 0.5331250E-17 GRAD(Rho)x 0.1157874E-17 GRAD(Rho)y -0.5151802E-17 GRAD(Rho)z -0.7351791E-18 Laplacian 0.2282371E-01 (-1/4)Del**2(Rho)) -0.5705928E-02 Diamond 0.6003114E-03 Metallicity 0.5187297E+00 Ellipticity -0.3332681E+01 Gb(Abramov) 0.4297258E-02 Vb(Abramov) -0.2888588E-02 Hb(Abramov) 0.1408670E-02 Ex_ueg -0.7184940E-03 Ec_ueg -0.1688582E-03 Delta_ex -0.1151462E-02 Delta_ec 0.7100063E-03 Delta_et -0.3973078E-02 Pxc 0.4255014E+01 Qxc -0.1621762E+01 3,+1 106 3 +1 1.665884 0.526920 0.507264 Rho 0.8973837E-02 |GRAD(Rho)| 0.3437552E-16 GRAD(Rho)x -0.5359994E-17 GRAD(Rho)y 0.2157592E-16 GRAD(Rho)z -0.2621882E-16 Laplacian 0.3574611E-01 (-1/4)Del**2(Rho)) -0.8936527E-02 Diamond 0.9862687E-03 Metallicity 0.7470471E+00 Ellipticity -0.1411182E+01 Gb(Abramov) 0.7070352E-02 Vb(Abramov) -0.5204178E-02 Hb(Abramov) 0.1866174E-02 Ex_ueg -0.1377281E-02 Ec_ueg -0.3217375E-03 Delta_ex -0.1639044E-02 Delta_ec 0.4821208E-03 Delta_et -0.3348214E-02 Pxc 0.4280761E+01 Qxc -0.3399654E+01 3,+1 107 3 -1 1.707643 0.527920 -1.713361 Rho 0.5143393E-01 |GRAD(Rho)| 0.1028905E-15 GRAD(Rho)x 0.5785362E-16 GRAD(Rho)y -0.5347870E-16 GRAD(Rho)z -0.6617741E-16 Laplacian 0.1996483E+00 (-1/4)Del**2(Rho)) -0.4991207E-01 Diamond 0.1022413E+00 Metallicity 0.2455258E+01 Ellipticity 0.8041124E-02 Gb(Abramov) 0.5369922E-01 Vb(Abramov) -0.5748636E-01 Hb(Abramov) -0.3787145E-02 Ex_ueg -0.1412705E-01 Ec_ueg -0.2494289E-02 Delta_ex -0.1642939E-01 Delta_ec 0.5730198E-02 Delta_et -0.6080336E-01 Pxc 0.5663758E+01 Qxc -0.2867159E+01 3,-1 108 3 +1 2.881751 0.154589 -0.153547 Rho 0.5503578E-02 |GRAD(Rho)| 0.9833981E-17 GRAD(Rho)x -0.5006644E-18 GRAD(Rho)y 0.9731404E-17 GRAD(Rho)z -0.1325247E-17 Laplacian 0.2282374E-01 (-1/4)Del**2(Rho)) -0.5705935E-02 Diamond 0.5947617E-03 Metallicity 0.5179664E+00 Ellipticity -0.3142475E+01 Gb(Abramov) 0.4296537E-02 Vb(Abramov) -0.2887139E-02 Hb(Abramov) 0.1409398E-02 Ex_ueg -0.7176487E-03 Ec_ueg -0.1686478E-03 Delta_ex -0.1147310E-02 Delta_ec 0.7029499E-03 Delta_et -0.3935406E-02 Pxc 0.4255311E+01 Qxc -0.1632137E+01 3,+1 109 3 -1 1.787141 -0.555902 -2.761834 Rho 0.1416447E+00 |GRAD(Rho)| 0.1905757E-11 GRAD(Rho)x 0.4750790E-12 GRAD(Rho)y 0.1481123E-11 GRAD(Rho)z 0.1101128E-11 Laplacian 0.5981582E+00 (-1/4)Del**2(Rho)) -0.1495395E+00 Diamond 0.1135221E+01 Metallicity 0.4434018E+01 Ellipticity 0.8127521E-02 Gb(Abramov) 0.2102032E+00 Vb(Abramov) -0.2708668E+00 Hb(Abramov) -0.6066365E-01 Ex_ueg -0.5453207E-01 Ec_ueg -0.7910815E-02 Delta_ex -0.6338103E-01 Delta_ec 0.1546341E-01 Delta_et -0.2043075E+00 Pxc 0.6893356E+01 Qxc -0.4098773E+01 3,-1 110 3 +3 2.321316 0.000981 -0.002323 Rho 0.4828133E-02 |GRAD(Rho)| 0.4093093E-17 GRAD(Rho)x -0.1870505E-17 GRAD(Rho)y 0.1861593E-17 GRAD(Rho)z 0.3128753E-17 Laplacian 0.1999339E-01 (-1/4)Del**2(Rho)) -0.4998347E-02 Diamond 0.1896785E-03 Metallicity 0.4753632E+00 Ellipticity -0.2468131E+00 Gb(Abramov) 0.3728236E-02 Vb(Abramov) -0.2458126E-02 Hb(Abramov) 0.1270111E-02 Ex_ueg -0.6026855E-03 Ec_ueg -0.1395242E-03 Delta_ex -0.7391442E-03 Delta_ec 0.1863670E-03 Delta_et -0.1181403E-02 Pxc 0.4319577E+01 Qxc -0.3966068E+01 3,+3 111 3 -1 1.695250 -0.517645 1.703744 Rho 0.5000863E-01 |GRAD(Rho)| 0.2434252E-15 GRAD(Rho)x 0.1582215E-15 GRAD(Rho)y -0.3028037E-16 GRAD(Rho)z 0.1824962E-15 Laplacian 0.1932714E+00 (-1/4)Del**2(Rho)) -0.4831786E-01 Diamond 0.9525461E-01 Metallicity 0.2420214E+01 Ellipticity 0.7305129E-02 Gb(Abramov) 0.5170183E-01 Vb(Abramov) -0.5508580E-01 Hb(Abramov) -0.3383970E-02 Ex_ueg -0.1360750E-01 Ec_ueg -0.2415351E-02 Delta_ex -0.1579115E-01 Delta_ec 0.5547689E-02 Delta_et -0.5844183E-01 Pxc 0.5633757E+01 Qxc -0.2846437E+01 3,-1 112 3 -1 1.785284 0.560109 2.765617 Rho 0.1381065E+00 |GRAD(Rho)| 0.1663703E-14 GRAD(Rho)x 0.1061678E-14 GRAD(Rho)y -0.9191730E-15 GRAD(Rho)z -0.8921154E-15 Laplacian 0.5849320E+00 (-1/4)Del**2(Rho)) -0.1462330E+00 Diamond 0.1081143E+01 Metallicity 0.4347083E+01 Ellipticity 0.6593673E-02 Gb(Abramov) 0.2034365E+00 Vb(Abramov) -0.2606400E+00 Hb(Abramov) -0.5720350E-01 Ex_ueg -0.5272345E-01 Ec_ueg -0.7686561E-02 Delta_ex -0.6164659E-01 Delta_ec 0.1529915E-01 Delta_et -0.2015337E+00 Pxc 0.6859173E+01 Qxc -0.4029413E+01 3,-1 113 3 -1 1.981419 0.859857 -2.993867 Rho 0.1366590E+00 |GRAD(Rho)| 0.2727881E-15 GRAD(Rho)x 0.3733721E-16 GRAD(Rho)y 0.2700341E-15 GRAD(Rho)z 0.1004242E-16 Laplacian 0.5407011E+00 (-1/4)Del**2(Rho)) -0.1351753E+00 Diamond 0.9870750E+00 Metallicity 0.4620829E+01 Ellipticity 0.3190274E-01 Gb(Abramov) 0.1942205E+00 Vb(Abramov) -0.2532657E+00 Hb(Abramov) -0.5904521E-01 Ex_ueg -0.5198798E-01 Ec_ueg -0.7595050E-02 Delta_ex -0.5684258E-01 Delta_ec 0.1418339E-01 Delta_et -0.1865395E+00 Pxc 0.6844981E+01 Qxc -0.4007686E+01 3,-1 114 3 +1 1.255531 1.193093 -2.184169 Rho 0.2908297E-01 |GRAD(Rho)| 0.6438453E-16 GRAD(Rho)x 0.7849220E-18 GRAD(Rho)y 0.3157652E-16 GRAD(Rho)z -0.5610414E-16 Laplacian 0.1129299E+00 (-1/4)Del**2(Rho)) -0.2823247E-01 Diamond 0.1768131E-01 Metallicity 0.1678298E+01 Ellipticity -0.4273619E+01 Gb(Abramov) 0.2671872E-01 Vb(Abramov) -0.2520498E-01 Hb(Abramov) 0.1513741E-02 Ex_ueg -0.6605466E-02 Ec_ueg -0.1296403E-02 Delta_ex -0.7269340E-02 Delta_ec 0.1835428E-02 Delta_et -0.1681377E-01 Pxc 0.5095224E+01 Qxc -0.3960570E+01 3,+1 115 3 +1 2.152907 -1.236222 1.196310 Rho 0.2807948E-01 |GRAD(Rho)| 0.6416777E-16 GRAD(Rho)x 0.6119608E-16 GRAD(Rho)y -0.1849703E-16 GRAD(Rho)z 0.5513786E-17 Laplacian 0.1088039E+00 (-1/4)Del**2(Rho)) -0.2720099E-01 Diamond 0.1646234E-01 Metallicity 0.1642922E+01 Ellipticity -0.4450179E+01 Gb(Abramov) 0.2558217E-01 Vb(Abramov) -0.2396336E-01 Hb(Abramov) 0.1618814E-02 Ex_ueg -0.6303335E-02 Ec_ueg -0.1244977E-02 Delta_ex -0.6959032E-02 Delta_ec 0.1806972E-02 Delta_et -0.1641134E-01 Pxc 0.5063015E+01 Qxc -0.3851211E+01 3,+1 116 3 -1 2.983742 0.861062 -1.979771 Rho 0.1440149E+00 |GRAD(Rho)| 0.1697874E-14 GRAD(Rho)x -0.8084218E-15 GRAD(Rho)y -0.1096643E-14 GRAD(Rho)z -0.1013214E-14 Laplacian 0.5681578E+00 (-1/4)Del**2(Rho)) -0.1420395E+00 Diamond 0.1103439E+01 Metallicity 0.4799066E+01 Ellipticity 0.3849681E-01 Gb(Abramov) 0.2083024E+00 Vb(Abramov) -0.2745654E+00 Hb(Abramov) -0.6626297E-01 Ex_ueg -0.5575217E-01 Ec_ueg -0.8061491E-02 Delta_ex -0.6048264E-01 Delta_ec 0.1469305E-01 Delta_et -0.1947479E+00 Pxc 0.6915863E+01 Qxc -0.4116412E+01 3,-1 117 3 +1 -0.475750 1.663753 -0.555420 Rho 0.9839105E-02 |GRAD(Rho)| 0.2044416E-12 GRAD(Rho)x 0.5583561E-13 GRAD(Rho)y -0.1493459E-12 GRAD(Rho)z 0.1279632E-12 Laplacian 0.4074147E-01 (-1/4)Del**2(Rho)) -0.1018537E-01 Diamond 0.1261990E-02 Metallicity 0.7641332E+00 Ellipticity -0.1395330E+01 Gb(Abramov) 0.8087409E-02 Vb(Abramov) -0.5989449E-02 Hb(Abramov) 0.2097960E-02 Ex_ueg -0.1557133E-02 Ec_ueg -0.3607567E-03 Delta_ex -0.1908041E-02 Delta_ec 0.5409825E-03 Delta_et -0.3852265E-02 Pxc 0.4316299E+01 Qxc -0.3526991E+01 3,+1 118 3 -1 2.978070 1.980847 -0.866073 Rho 0.1419952E+00 |GRAD(Rho)| 0.2111635E-13 GRAD(Rho)x -0.8773987E-14 GRAD(Rho)y -0.1659222E-13 GRAD(Rho)z -0.9675515E-14 Laplacian 0.5596737E+00 (-1/4)Del**2(Rho)) -0.1399184E+00 Diamond 0.1069549E+01 Metallicity 0.4758471E+01 Ellipticity 0.3518269E-01 Gb(Abramov) 0.2042453E+00 Vb(Abramov) -0.2685721E+00 Hb(Abramov) -0.6432683E-01 Ex_ueg -0.5471206E-01 Ec_ueg -0.7933074E-02 Delta_ex -0.5938403E-01 Delta_ec 0.1454032E-01 Delta_et -0.1923528E+00 Pxc 0.6896704E+01 Qxc -0.4084095E+01 3,-1 119 3 -1 1.970917 2.987706 -0.868199 Rho 0.1422783E+00 |GRAD(Rho)| 0.1783911E-11 GRAD(Rho)x 0.1251504E-11 GRAD(Rho)y 0.9185941E-13 GRAD(Rho)z 0.1267927E-11 Laplacian 0.5622249E+00 (-1/4)Del**2(Rho)) -0.1405562E+00 Diamond 0.1077398E+01 Metallicity 0.4752632E+01 Ellipticity 0.3525232E-01 Gb(Abramov) 0.2050395E+00 Vb(Abramov) -0.2695227E+00 Hb(Abramov) -0.6448325E-01 Ex_ueg -0.5485757E-01 Ec_ueg -0.7951060E-02 Delta_ex -0.5968794E-01 Delta_ec 0.1460714E-01 Delta_et -0.1933109E+00 Pxc 0.6899403E+01 Qxc -0.4086217E+01 3,-1 120 3 -1 -2.975811 -0.870503 -1.992983 Rho 0.1443889E+00 |GRAD(Rho)| 0.2086301E-15 GRAD(Rho)x -0.9100522E-16 GRAD(Rho)y 0.2599375E-16 GRAD(Rho)z -0.1859271E-15 Laplacian 0.5702657E+00 (-1/4)Del**2(Rho)) -0.1425664E+00 Diamond 0.1110820E+01 Metallicity 0.4802037E+01 Ellipticity 0.3790792E-01 Gb(Abramov) 0.2091458E+00 Vb(Abramov) -0.2757252E+00 Hb(Abramov) -0.6657941E-01 Ex_ueg -0.5594527E-01 Ec_ueg -0.8085295E-02 Delta_ex -0.6074370E-01 Delta_ec 0.1473506E-01 Delta_et -0.1953729E+00 Pxc 0.6919386E+01 Qxc -0.4122392E+01 3,-1 121 3 -1 -2.768317 -0.562753 1.815213 Rho 0.1341149E+00 |GRAD(Rho)| 0.1939309E-13 GRAD(Rho)x 0.3820071E-14 GRAD(Rho)y 0.1277060E-13 GRAD(Rho)z -0.1408583E-13 Laplacian 0.5651051E+00 (-1/4)Del**2(Rho)) -0.1412763E+00 Diamond 0.9895574E+00 Metallicity 0.4284949E+01 Ellipticity 0.1138134E-01 Gb(Abramov) 0.1950778E+00 Vb(Abramov) -0.2488793E+00 Hb(Abramov) -0.5380150E-01 Ex_ueg -0.5070153E-01 Ec_ueg -0.7434530E-02 Delta_ex -0.5891850E-01 Delta_ec 0.1449753E-01 Delta_et -0.1893446E+00 Pxc 0.6819735E+01 Qxc -0.4064036E+01 3,-1 122 3 -1 -0.008814 -0.009391 -2.894250 Rho 0.5721192E-02 |GRAD(Rho)| 0.2284724E-16 GRAD(Rho)x 0.1502701E-16 GRAD(Rho)y -0.1701931E-16 GRAD(Rho)z 0.2555063E-17 Laplacian 0.2315347E-01 (-1/4)Del**2(Rho)) -0.5788368E-02 Diamond 0.7377922E-03 Metallicity 0.5446797E+00 Ellipticity 0.2969918E+01 Gb(Abramov) 0.4384380E-02 Vb(Abramov) -0.2980392E-02 Hb(Abramov) 0.1403988E-02 Ex_ueg -0.7557307E-03 Ec_ueg -0.1780794E-03 Delta_ex -0.1252080E-02 Delta_ec 0.8545675E-03 Delta_et -0.4782532E-02 Pxc 0.4243784E+01 Qxc -0.1465162E+01 3,-1 123 3 -1 -0.535265 1.722552 1.683682 Rho 0.4728225E-01 |GRAD(Rho)| 0.7232820E-09 GRAD(Rho)x 0.2481671E-09 GRAD(Rho)y 0.4645456E-09 GRAD(Rho)z 0.4957291E-09 Laplacian 0.1812970E+00 (-1/4)Del**2(Rho)) -0.4532424E-01 Diamond 0.8274999E-01 Metallicity 0.2349919E+01 Ellipticity 0.1090100E-01 Gb(Abramov) 0.4796754E-01 Vb(Abramov) -0.5061084E-01 Hb(Abramov) -0.2643301E-02 Ex_ueg -0.1262746E-01 Ec_ueg -0.2265207E-02 Delta_ex -0.1460204E-01 Delta_ec 0.5202679E-02 Delta_et -0.5401503E-01 Pxc 0.5574528E+01 Qxc -0.2806639E+01 3,-1 124 3 +1 0.511874 1.685817 0.487047 Rho 0.9061106E-02 |GRAD(Rho)| 0.1559423E-16 GRAD(Rho)x -0.1552012E-16 GRAD(Rho)y -0.1782129E-18 GRAD(Rho)z 0.1508008E-17 Laplacian 0.3611475E-01 (-1/4)Del**2(Rho)) -0.9028688E-02 Diamond 0.1007343E-02 Metallicity 0.7514450E+00 Ellipticity -0.1411854E+01 Gb(Abramov) 0.7149886E-02 Vb(Abramov) -0.5271084E-02 Hb(Abramov) 0.1878802E-02 Ex_ueg -0.1395169E-02 Ec_ueg -0.3256582E-03 Delta_ex -0.1659070E-02 Delta_ec 0.4853336E-03 Delta_et -0.3380267E-02 Pxc 0.4284150E+01 Qxc -0.3418412E+01 3,+1 125 3 -1 3.182937 -3.174492 -0.053552 Rho 0.2516813E+00 |GRAD(Rho)| 0.6592609E-13 GRAD(Rho)x -0.4477853E-13 GRAD(Rho)y 0.4520299E-13 GRAD(Rho)z 0.1725754E-13 Laplacian 0.9231338E+00 (-1/4)Del**2(Rho)) -0.2307835E+00 Diamond 0.3436511E+01 Metallicity 0.7489164E+01 Ellipticity 0.1047962E-02 Gb(Abramov) 0.4419182E+00 Vb(Abramov) -0.6530529E+00 Hb(Abramov) -0.2111347E+00 Ex_ueg -0.1173599E+00 Ec_ueg -0.1525034E-01 Delta_ex -0.1128273E+00 Delta_ec 0.1992045E-01 Delta_et -0.2754326E+00 Pxc 0.7695557E+01 Qxc -0.5663891E+01 3,-1 126 3 -1 -3.181825 -3.167240 0.052307 Rho 0.2508301E+00 |GRAD(Rho)| 0.1570238E-10 GRAD(Rho)x -0.1092013E-10 GRAD(Rho)y -0.1090057E-10 GRAD(Rho)z 0.2914287E-11 Laplacian 0.9246117E+00 (-1/4)Del**2(Rho)) -0.2311529E+00 Diamond 0.3424703E+01 Metallicity 0.7435094E+01 Ellipticity 0.1481858E-02 Gb(Abramov) 0.4405426E+00 Vb(Abramov) -0.6499322E+00 Hb(Abramov) -0.2093897E+00 Ex_ueg -0.1168309E+00 Ec_ueg -0.1519098E-01 Delta_ex -0.1128908E+00 Delta_ec 0.1994342E-01 Delta_et -0.2755950E+00 Pxc 0.7690812E+01 Qxc -0.5660551E+01 3,-1 127 3 -1 -2.987484 -1.969040 -0.865493 Rho 0.1428773E+00 |GRAD(Rho)| 0.3233755E-15 GRAD(Rho)x -0.1983683E-15 GRAD(Rho)y 0.1991273E-15 GRAD(Rho)z -0.1599063E-15 Laplacian 0.5644663E+00 (-1/4)Del**2(Rho)) -0.1411166E+00 Diamond 0.1086866E+01 Metallicity 0.4767025E+01 Ellipticity 0.3653379E-01 Gb(Abramov) 0.2061954E+00 Vb(Abramov) -0.2712743E+00 Hb(Abramov) -0.6507884E-01 Ex_ueg -0.5516575E-01 Ec_ueg -0.7989132E-02 Delta_ex -0.5998408E-01 Delta_ec 0.1464468E-01 Delta_et -0.1939179E+00 Pxc 0.6905100E+01 Qxc -0.4095964E+01 3,-1 128 3 -1 -2.768585 -1.782118 0.556218 Rho 0.1419085E+00 |GRAD(Rho)| 0.2399835E-15 GRAD(Rho)x -0.7342759E-16 GRAD(Rho)y 0.5514523E-16 GRAD(Rho)z 0.2217193E-15 Laplacian 0.5972909E+00 (-1/4)Del**2(Rho)) -0.1493227E+00 Diamond 0.1136619E+01 Metallicity 0.4454249E+01 Ellipticity 0.1075441E-01 Gb(Abramov) 0.2104019E+00 Vb(Abramov) -0.2714811E+00 Hb(Abramov) -0.6107920E-01 Ex_ueg -0.5466754E-01 Ec_ueg -0.7927570E-02 Delta_ex -0.6332329E-01 Delta_ec 0.1544370E-01 Delta_et -0.2041243E+00 Pxc 0.6895877E+01 Qxc -0.4100267E+01 3,-1 129 3 -1 -0.856947 -2.986952 -1.974687 Rho 0.1436072E+00 |GRAD(Rho)| 0.5886543E-15 GRAD(Rho)x 0.3008119E-15 GRAD(Rho)y 0.3766247E-15 GRAD(Rho)z -0.3379052E-15 Laplacian 0.5670495E+00 (-1/4)Del**2(Rho)) -0.1417624E+00 Diamond 0.1097373E+01 Metallicity 0.4785776E+01 Ellipticity 0.3765849E-01 Gb(Abramov) 0.2075821E+00 Vb(Abramov) -0.2734018E+00 Hb(Abramov) -0.6581970E-01 Ex_ueg -0.5554179E-01 Ec_ueg -0.8035545E-02 Delta_ex -0.6032113E-01 Delta_ec 0.1467137E-01 Delta_et -0.1943720E+00 Pxc 0.6912013E+01 Qxc -0.4111485E+01 3,-1 130 3 +1 -1.229250 -2.163136 -1.221839 Rho 0.2908797E-01 |GRAD(Rho)| 0.2172347E-15 GRAD(Rho)x -0.5648872E-16 GRAD(Rho)y -0.1998575E-15 GRAD(Rho)z -0.6369412E-16 Laplacian 0.1145235E+00 (-1/4)Del**2(Rho)) -0.2863088E-01 Diamond 0.1849697E-01 Metallicity 0.1655418E+01 Ellipticity -0.5031316E+01 Gb(Abramov) 0.2698660E-01 Vb(Abramov) -0.2534231E-01 Hb(Abramov) 0.1644283E-02 Ex_ueg -0.6606980E-02 Ec_ueg -0.1296660E-02 Delta_ex -0.7422134E-02 Delta_ec 0.1950360E-02 Delta_et -0.1785661E-01 Pxc 0.5095382E+01 Qxc -0.3805520E+01 3,+1 131 3 +1 0.141621 -2.880851 0.144354 Rho 0.5462427E-02 |GRAD(Rho)| 0.2751702E-15 GRAD(Rho)x 0.1918916E-15 GRAD(Rho)y -0.8058330E-18 GRAD(Rho)z 0.1972197E-15 Laplacian 0.2261670E-01 (-1/4)Del**2(Rho)) -0.5654175E-02 Diamond 0.5922982E-03 Metallicity 0.5162102E+00 Ellipticity -0.3479618E+01 Gb(Abramov) 0.4255907E-02 Vb(Abramov) -0.2857640E-02 Hb(Abramov) 0.1398268E-02 Ex_ueg -0.7105029E-03 Ec_ueg -0.1668669E-03 Delta_ex -0.1142528E-02 Delta_ec 0.7096169E-03 Delta_et -0.3958491E-02 Pxc 0.4257903E+01 Qxc -0.1610063E+01 3,+1 132 3 -1 0.000175 -2.887936 0.003291 Rho 0.5481407E-02 |GRAD(Rho)| 0.6352071E-15 GRAD(Rho)x 0.4485708E-15 GRAD(Rho)y 0.7352830E-16 GRAD(Rho)z 0.4436957E-15 Laplacian 0.2227439E-01 (-1/4)Del**2(Rho)) -0.5568597E-02 Diamond 0.6693453E-03 Metallicity 0.5271823E+00 Ellipticity 0.4358424E+01 Gb(Abramov) 0.4201675E-02 Vb(Abramov) -0.2834754E-02 Hb(Abramov) 0.1366921E-02 Ex_ueg -0.7137966E-03 Ec_ueg -0.1676882E-03 Delta_ex -0.1194413E-02 Delta_ec 0.8210229E-03 Delta_et -0.4535709E-02 Pxc 0.4256690E+01 Qxc -0.1454787E+01 3,-1 133 3 -1 -0.049215 -3.182990 3.172736 Rho 0.2509969E+00 |GRAD(Rho)| 0.3205746E-15 GRAD(Rho)x -0.7440337E-16 GRAD(Rho)y 0.2698579E-15 GRAD(Rho)z 0.1562335E-15 Laplacian 0.9254916E+00 (-1/4)Del**2(Rho)) -0.2313729E+00 Diamond 0.3430445E+01 Metallicity 0.7436262E+01 Ellipticity 0.1571886E-02 Gb(Abramov) 0.4410068E+00 Vb(Abramov) -0.6506408E+00 Hb(Abramov) -0.2096339E+00 Ex_ueg -0.1169346E+00 Ec_ueg -0.1520261E-01 Delta_ex -0.1130166E+00 Delta_ec 0.1995600E-01 Delta_et -0.2757608E+00 Pxc 0.7691744E+01 Qxc -0.5663291E+01 3,-1 134 3 -1 0.067776 -3.187916 -3.168527 Rho 0.2511244E+00 |GRAD(Rho)| 0.1440325E-14 GRAD(Rho)x 0.1359047E-15 GRAD(Rho)y -0.1104585E-14 GRAD(Rho)z -0.9143077E-15 Laplacian 0.9259233E+00 (-1/4)Del**2(Rho)) -0.2314808E+00 Diamond 0.3433192E+01 Metallicity 0.7439088E+01 Ellipticity 0.1662484E-02 Gb(Abramov) 0.4413216E+00 Vb(Abramov) -0.6511623E+00 Hb(Abramov) -0.2098408E+00 Ex_ueg -0.1170138E+00 Ec_ueg -0.1521150E-01 Delta_ex -0.1130797E+00 Delta_ec 0.1995370E-01 Delta_et -0.2756911E+00 Pxc 0.7692455E+01 Qxc -0.5667103E+01 3,-1 135 3 -1 0.865204 -2.986455 1.975200 Rho 0.1455602E+00 |GRAD(Rho)| 0.4205562E-09 GRAD(Rho)x 0.3030683E-09 GRAD(Rho)y -0.1857470E-09 GRAD(Rho)z -0.2247558E-09 Laplacian 0.5765556E+00 (-1/4)Del**2(Rho)) -0.1441389E+00 Diamond 0.1135024E+01 Metallicity 0.4814039E+01 Ellipticity 0.3718127E-01 Gb(Abramov) 0.2117410E+00 Vb(Abramov) -0.2793430E+00 Hb(Abramov) -0.6760206E-01 Ex_ueg -0.5655119E-01 Ec_ueg -0.8159909E-02 Delta_ex -0.6154536E-01 Delta_ec 0.1488663E-01 Delta_et -0.1976576E+00 Pxc 0.6930371E+01 Qxc -0.4134270E+01 3,-1 136 3 +1 1.239546 -2.153018 1.195167 Rho 0.2801781E-01 |GRAD(Rho)| 0.6673498E-10 GRAD(Rho)x 0.5014458E-10 GRAD(Rho)y -0.1692947E-10 GRAD(Rho)z -0.4065061E-10 Laplacian 0.1085380E+00 (-1/4)Del**2(Rho)) -0.2713451E-01 Diamond 0.1637318E-01 Metallicity 0.1640923E+01 Ellipticity -0.4435230E+01 Gb(Abramov) 0.2551061E-01 Vb(Abramov) -0.2388671E-01 Hb(Abramov) 0.1623897E-02 Ex_ueg -0.6284884E-02 Ec_ueg -0.1241824E-02 Delta_ex -0.6937979E-02 Delta_ec 0.1802685E-02 Delta_et -0.1636383E-01 Pxc 0.5061009E+01 Qxc -0.3848691E+01 3,+1 137 3 -1 1.702132 1.707742 -0.540207 Rho 0.5035089E-01 |GRAD(Rho)| 0.2831950E-15 GRAD(Rho)x 0.1477823E-15 GRAD(Rho)y 0.2238090E-15 GRAD(Rho)z 0.9093597E-16 Laplacian 0.1951186E+00 (-1/4)Del**2(Rho)) -0.4877965E-01 Diamond 0.9696441E-01 Metallicity 0.2424709E+01 Ellipticity 0.7100954E-02 Gb(Abramov) 0.5223251E-01 Vb(Abramov) -0.5568537E-01 Hb(Abramov) -0.3452863E-02 Ex_ueg -0.1373181E-01 Ec_ueg -0.2434279E-02 Delta_ex -0.1596554E-01 Delta_ec 0.5593026E-02 Delta_et -0.5902102E-01 Pxc 0.5641019E+01 Qxc -0.2854545E+01 3,-1 138 3 -1 2.766329 -1.788678 -0.555209 Rho 0.1427868E+00 |GRAD(Rho)| 0.2193423E-15 GRAD(Rho)x 0.8569263E-16 GRAD(Rho)y 0.1259572E-15 GRAD(Rho)z -0.1578056E-15 Laplacian 0.6052876E+00 (-1/4)Del**2(Rho)) -0.1513219E+00 Diamond 0.1161271E+01 Metallicity 0.4440835E+01 Ellipticity 0.8351091E-02 Gb(Abramov) 0.2128805E+00 Vb(Abramov) -0.2744391E+00 Hb(Abramov) -0.6155863E-01 Ex_ueg -0.5511912E-01 Ec_ueg -0.7983373E-02 Delta_ex -0.6427689E-01 Delta_ec 0.1564335E-01 Delta_et -0.2069887E+00 Pxc 0.6904240E+01 Qxc -0.4108896E+01 3,-1 139 3 -1 2.765871 -0.558266 -1.788089 Rho 0.1447324E+00 |GRAD(Rho)| 0.1687789E-13 GRAD(Rho)x -0.8395459E-14 GRAD(Rho)y -0.1567241E-14 GRAD(Rho)z 0.1455758E-13 Laplacian 0.6122009E+00 (-1/4)Del**2(Rho)) -0.1530502E+00 Diamond 0.1194206E+01 Metallicity 0.4490853E+01 Ellipticity 0.8668569E-02 Gb(Abramov) 0.2165878E+00 Vb(Abramov) -0.2801254E+00 Hb(Abramov) -0.6353761E-01 Ex_ueg -0.5612282E-01 Ec_ueg -0.8107170E-02 Delta_ex -0.6523057E-01 Delta_ec 0.1577755E-01 Delta_et -0.2091994E+00 Pxc 0.6922615E+01 Qxc -0.4134391E+01 3,-1 140 3 -1 -3.158198 3.139543 -0.088508 Rho 0.1696551E+00 |GRAD(Rho)| 0.1369969E-13 GRAD(Rho)x -0.5601259E-15 GRAD(Rho)y -0.9917766E-14 GRAD(Rho)z 0.9434280E-14 Laplacian 0.6750422E+00 (-1/4)Del**2(Rho)) -0.1687606E+00 Diamond 0.1610125E+01 Metallicity 0.5307548E+01 Ellipticity 0.1165662E+00 Gb(Abramov) 0.2617912E+00 Vb(Abramov) -0.3548218E+00 Hb(Abramov) -0.9303060E-01 Ex_ueg -0.6936511E-01 Ec_ueg -0.9713380E-02 Delta_ex -0.7494328E-01 Delta_ec 0.1696601E-01 Delta_et -0.2304440E+00 Pxc 0.7141192E+01 Qxc -0.4417261E+01 3,-1 141 3 +1 -1.718687 1.713891 -1.733219 Rho 0.1252939E-01 |GRAD(Rho)| 0.1699409E-16 GRAD(Rho)x 0.1466293E-17 GRAD(Rho)y -0.1288356E-16 GRAD(Rho)z -0.1098467E-16 Laplacian 0.6335866E-01 (-1/4)Del**2(Rho)) -0.1583966E-01 Diamond 0.2684346E-02 Metallicity 0.7351185E+00 Ellipticity -0.1255807E+01 Gb(Abramov) 0.1250045E-01 Vb(Abramov) -0.9161232E-02 Hb(Abramov) 0.3339217E-02 Ex_ueg -0.2149274E-02 Ec_ueg -0.4840625E-03 Delta_ex -0.3147536E-02 Delta_ec 0.8178425E-03 Delta_et -0.6200829E-02 Pxc 0.4440076E+01 Qxc -0.3848584E+01 3,+1 142 3 -1 -1.687075 1.686847 0.508518 Rho 0.7057582E-01 |GRAD(Rho)| 0.1084813E-15 GRAD(Rho)x -0.8969232E-16 GRAD(Rho)y 0.4983264E-16 GRAD(Rho)z -0.3521624E-16 Laplacian 0.2705965E+00 (-1/4)Del**2(Rho)) -0.6764912E-01 Diamond 0.2110115E+00 Metallicity 0.3069381E+01 Ellipticity 0.1015429E-01 Gb(Abramov) 0.7970624E-01 Vb(Abramov) -0.9176336E-01 Hb(Abramov) -0.1205712E-01 Ex_ueg -0.2154069E-01 Ec_ueg -0.3580388E-02 Delta_ex -0.2409711E-01 Delta_ec 0.7645070E-02 Delta_et -0.8771983E-01 Pxc 0.6016300E+01 Qxc -0.3151981E+01 3,-1 143 3 +1 -1.060824 2.167096 1.368226 Rho 0.3038540E-01 |GRAD(Rho)| 0.2852938E-16 GRAD(Rho)x -0.2073050E-16 GRAD(Rho)y 0.4806900E-17 GRAD(Rho)z 0.1900172E-16 Laplacian 0.1169037E+00 (-1/4)Del**2(Rho)) -0.2922592E-01 Diamond 0.1665345E-01 Metallicity 0.1744054E+01 Ellipticity -0.2471885E+01 Gb(Abramov) 0.2797921E-01 Vb(Abramov) -0.2673250E-01 Hb(Abramov) 0.1246708E-02 Ex_ueg -0.7002800E-02 Ec_ueg -0.1363504E-02 Delta_ex -0.7381586E-02 Delta_ec 0.1482855E-02 Delta_et -0.1375743E-01 Pxc 0.5135886E+01 Qxc -0.4977954E+01 3,+1 144 3 -1 -1.753518 2.708746 -0.533839 Rho 0.1560165E+00 |GRAD(Rho)| 0.5832807E-14 GRAD(Rho)x -0.4814318E-14 GRAD(Rho)y -0.6787783E-15 GRAD(Rho)z 0.3222303E-14 Laplacian 0.6646111E+00 (-1/4)Del**2(Rho)) -0.1661528E+00 Diamond 0.1404156E+01 Metallicity 0.4688094E+01 Ellipticity 0.1547632E-01 Gb(Abramov) 0.2405918E+00 Vb(Abramov) -0.3150309E+00 Hb(Abramov) -0.7443904E-01 Ex_ueg -0.6203150E-01 Ec_ueg -0.8829760E-02 Delta_ex -0.7199419E-01 Delta_ec 0.1656588E-01 Delta_et -0.2213823E+00 Pxc 0.7025276E+01 Qxc -0.4345932E+01 3,-1 145 3 +1 -0.145283 2.871682 0.157960 Rho 0.5976000E-02 |GRAD(Rho)| 0.9801677E-17 GRAD(Rho)x 0.8260358E-17 GRAD(Rho)y 0.1629329E-17 GRAD(Rho)z 0.5018430E-17 Laplacian 0.2504475E-01 (-1/4)Del**2(Rho)) -0.6261187E-02 Diamond 0.7390556E-03 Metallicity 0.5414780E+00 Ellipticity -0.4221022E+01 Gb(Abramov) 0.4739174E-02 Vb(Abramov) -0.3217161E-02 Hb(Abramov) 0.1522013E-02 Ex_ueg -0.8009385E-03 Ec_ueg -0.1891529E-03 Delta_ex -0.1286967E-02 Delta_ec 0.7843307E-03 Delta_et -0.4495148E-02 Pxc 0.4234345E+01 Qxc -0.1640848E+01 3,+1 146 3 -1 -1.957114 2.942341 0.863008 Rho 0.1543005E+00 |GRAD(Rho)| 0.2015112E-15 GRAD(Rho)x -0.7158445E-16 GRAD(Rho)y -0.3970890E-17 GRAD(Rho)z -0.1883259E-15 Laplacian 0.6095439E+00 (-1/4)Del**2(Rho)) -0.1523860E+00 Diamond 0.1277547E+01 Metallicity 0.5018264E+01 Ellipticity 0.3472872E-01 Gb(Abramov) 0.2290428E+00 Vb(Abramov) -0.3056997E+00 Hb(Abramov) -0.7665686E-01 Ex_ueg -0.6112347E-01 Ec_ueg -0.8719371E-02 Delta_ex -0.6591319E-01 Delta_ec 0.1535088E-01 Delta_et -0.2051270E+00 Pxc 0.7010078E+01 Qxc -0.4293773E+01 3,-1 147 3 +3 0.047254 2.317501 -0.032333 Rho 0.5158851E-02 |GRAD(Rho)| 0.1183224E-16 GRAD(Rho)x -0.6888421E-17 GRAD(Rho)y 0.6122735E-17 GRAD(Rho)z -0.7420495E-17 Laplacian 0.2182730E-01 (-1/4)Del**2(Rho)) -0.5456825E-02 Diamond 0.2240184E-03 Metallicity 0.4862596E+00 Ellipticity -0.3123969E+00 Gb(Abramov) 0.4080122E-02 Vb(Abramov) -0.2703419E-02 Hb(Abramov) 0.1376703E-02 Ex_ueg -0.6583483E-03 Ec_ueg -0.1537552E-03 Delta_ex -0.8185185E-03 Delta_ec 0.1993783E-03 Delta_et -0.1289579E-02 Pxc 0.4281795E+01 Qxc -0.4105355E+01 3,+3 148 3 -1 0.539829 1.698417 -1.721747 Rho 0.5220826E-01 |GRAD(Rho)| 0.4645984E-16 GRAD(Rho)x -0.2016362E-16 GRAD(Rho)y -0.4089221E-16 GRAD(Rho)z -0.8931539E-17 Laplacian 0.2032883E+00 (-1/4)Del**2(Rho)) -0.5082207E-01 Diamond 0.1062410E+00 Metallicity 0.2472100E+01 Ellipticity 0.6348105E-02 Gb(Abramov) 0.5482093E-01 Vb(Abramov) -0.5881978E-01 Hb(Abramov) -0.3998853E-02 Ex_ueg -0.1441133E-01 Ec_ueg -0.2537297E-02 Delta_ex -0.1679254E-01 Delta_ec 0.5833841E-02 Delta_et -0.6214098E-01 Pxc 0.5679795E+01 Qxc -0.2878471E+01 3,-1 149 3 +1 0.211526 2.884796 -0.207484 Rho 0.5835800E-02 |GRAD(Rho)| 0.1456793E-16 GRAD(Rho)x 0.9279977E-17 GRAD(Rho)y 0.4927515E-19 GRAD(Rho)z 0.1122962E-16 Laplacian 0.2476958E-01 (-1/4)Del**2(Rho)) -0.6192394E-02 Diamond 0.6266862E-03 Metallicity 0.5262539E+00 Ellipticity -0.1992005E+01 Gb(Abramov) 0.4671391E-02 Vb(Abramov) -0.3150388E-02 Hb(Abramov) 0.1521003E-02 Ex_ueg -0.7759831E-03 Ec_ueg -0.1830561E-03 Delta_ex -0.1205448E-02 Delta_ec 0.6660794E-03 Delta_et -0.3834087E-02 Pxc 0.4239045E+01 Qxc -0.1809766E+01 3,+1 150 3 +1 1.243975 2.166881 -1.212424 Rho 0.2916707E-01 |GRAD(Rho)| 0.1439467E-15 GRAD(Rho)x -0.8888695E-17 GRAD(Rho)y -0.2087745E-16 GRAD(Rho)z -0.1421471E-15 Laplacian 0.1140898E+00 (-1/4)Del**2(Rho)) -0.2852246E-01 Diamond 0.1816625E-01 Metallicity 0.1669248E+01 Ellipticity -0.4552972E+01 Gb(Abramov) 0.2695015E-01 Vb(Abramov) -0.2537784E-01 Hb(Abramov) 0.1572310E-02 Ex_ueg -0.6630945E-02 Ec_ueg -0.1300724E-02 Delta_ex -0.7370281E-02 Delta_ec 0.1890913E-02 Delta_et -0.1732942E-01 Pxc 0.5097887E+01 Qxc -0.3897737E+01 3,+1 151 3 -1 2.983011 -0.858620 1.976006 Rho 0.1447433E+00 |GRAD(Rho)| 0.1260499E-15 GRAD(Rho)x 0.7760177E-16 GRAD(Rho)y 0.9746978E-16 GRAD(Rho)z 0.1913617E-16 Laplacian 0.5732138E+00 (-1/4)Del**2(Rho)) -0.1433034E+00 Diamond 0.1121393E+01 Metallicity 0.4796901E+01 Ellipticity 0.3606212E-01 Gb(Abramov) 0.2101044E+00 Vb(Abramov) -0.2769053E+00 Hb(Abramov) -0.6680092E-01 Ex_ueg -0.5612846E-01 Ec_ueg -0.8107864E-02 Delta_ex -0.6111034E-01 Delta_ec 0.1483102E-01 Delta_et -0.1967784E+00 Pxc 0.6922718E+01 Qxc -0.4120442E+01 3,-1 152 3 -1 -1.980077 -2.978474 -0.862826 Rho 0.1423710E+00 |GRAD(Rho)| 0.8287125E-14 GRAD(Rho)x -0.4060662E-14 GRAD(Rho)y -0.7164069E-14 GRAD(Rho)z 0.9292832E-15 Laplacian 0.5616420E+00 (-1/4)Del**2(Rho)) -0.1404105E+00 Diamond 0.1076605E+01 Metallicity 0.4762735E+01 Ellipticity 0.3503534E-01 Gb(Abramov) 0.2050633E+00 Vb(Abramov) -0.2697162E+00 Hb(Abramov) -0.6465283E-01 Ex_ueg -0.5490526E-01 Ec_ueg -0.7956954E-02 Delta_ex -0.5962999E-01 Delta_ec 0.1457979E-01 Delta_et -0.1929470E+00 Pxc 0.6900287E+01 Qxc -0.4089906E+01 3,-1 153 3 -1 -1.793814 -2.751405 0.555534 Rho 0.1418644E+00 |GRAD(Rho)| 0.3383472E-15 GRAD(Rho)x -0.2191986E-15 GRAD(Rho)y 0.1867538E-16 GRAD(Rho)z -0.2570643E-15 Laplacian 0.6007429E+00 (-1/4)Del**2(Rho)) -0.1501857E+00 Diamond 0.1144334E+01 Metallicity 0.4426362E+01 Ellipticity 0.9248524E-02 Gb(Abramov) 0.2109199E+00 Vb(Abramov) -0.2716540E+00 Hb(Abramov) -0.6073415E-01 Ex_ueg -0.5464490E-01 Ec_ueg -0.7924770E-02 Delta_ex -0.6370130E-01 Delta_ec 0.1556425E-01 Delta_et -0.2057718E+00 Pxc 0.6895456E+01 Qxc -0.4092796E+01 3,-1 154 3 -1 -0.863839 2.977781 1.979577 Rho 0.1336311E+00 |GRAD(Rho)| 0.1007697E-14 GRAD(Rho)x 0.6180223E-15 GRAD(Rho)y -0.4959683E-15 GRAD(Rho)z 0.6225082E-15 Laplacian 0.5330670E+00 (-1/4)Del**2(Rho)) -0.1332667E+00 Diamond 0.9481517E+00 Metallicity 0.4515206E+01 Ellipticity 0.4270940E-01 Gb(Abramov) 0.1891323E+00 Vb(Abramov) -0.2449978E+00 Hb(Abramov) -0.5586554E-01 Ex_ueg -0.5045784E-01 Ec_ueg -0.7404056E-02 Delta_ex -0.5574718E-01 Delta_ec 0.1407641E-01 Delta_et -0.1845101E+00 Pxc 0.6814891E+01 Qxc -0.3960327E+01 3,-1 155 3 -1 -0.525543 -1.709094 -1.709933 Rho 0.5047831E-01 |GRAD(Rho)| 0.1177190E-15 GRAD(Rho)x -0.1462254E-16 GRAD(Rho)y 0.4035011E-16 GRAD(Rho)z 0.1096167E-15 Laplacian 0.1951557E+00 (-1/4)Del**2(Rho)) -0.4878893E-01 Diamond 0.9730335E-01 Metallicity 0.2434482E+01 Ellipticity 0.8912161E-02 Gb(Abramov) 0.5232191E-01 Vb(Abramov) -0.5585489E-01 Hb(Abramov) -0.3532985E-02 Ex_ueg -0.1377817E-01 Ec_ueg -0.2441330E-02 Delta_ex -0.1597826E-01 Delta_ec 0.5592953E-02 Delta_et -0.5905842E-01 Pxc 0.5643713E+01 Qxc -0.2856855E+01 3,-1 156 3 -1 -0.558073 -1.796529 2.774956 Rho 0.1368187E+00 |GRAD(Rho)| 0.3512292E-15 GRAD(Rho)x 0.3087943E-15 GRAD(Rho)y -0.1431418E-15 GRAD(Rho)z -0.8670907E-16 Laplacian 0.5769689E+00 (-1/4)Del**2(Rho)) -0.1442422E+00 Diamond 0.1054900E+01 Metallicity 0.4338804E+01 Ellipticity 0.8804658E-02 Gb(Abramov) 0.2004679E+00 Vb(Abramov) -0.2566936E+00 Hb(Abramov) -0.5622572E-01 Ex_ueg -0.5206899E-01 Ec_ueg -0.7605139E-02 Delta_ex -0.6067403E-01 Delta_ec 0.1513326E-01 Delta_et -0.1990741E+00 Pxc 0.6846553E+01 Qxc -0.4009316E+01 3,-1 157 3 -1 1.777764 2.765609 0.550087 Rho 0.1418641E+00 |GRAD(Rho)| 0.1790379E-15 GRAD(Rho)x 0.2900241E-16 GRAD(Rho)y -0.1261876E-15 GRAD(Rho)z -0.1236533E-15 Laplacian 0.5994017E+00 (-1/4)Del**2(Rho)) -0.1498504E+00 Diamond 0.1140253E+01 Metallicity 0.4436249E+01 Ellipticity 0.8731972E-02 Gb(Abramov) 0.2106959E+00 Vb(Abramov) -0.2715414E+00 Hb(Abramov) -0.6084549E-01 Ex_ueg -0.5464473E-01 Ec_ueg -0.7924749E-02 Delta_ex -0.6354271E-01 Delta_ec 0.1550033E-01 Delta_et -0.2048651E+00 Pxc 0.6895453E+01 Qxc -0.4099443E+01 3,-1 158 3 -1 2.890232 -0.001330 0.002441 Rho 0.5529963E-02 |GRAD(Rho)| 0.1763549E-16 GRAD(Rho)x 0.1397591E-17 GRAD(Rho)y 0.1214989E-16 GRAD(Rho)z 0.1270580E-16 Laplacian 0.2245420E-01 (-1/4)Del**2(Rho)) -0.5613549E-02 Diamond 0.6841055E-03 Metallicity 0.5307044E+00 Ellipticity 0.3940826E+01 Gb(Abramov) 0.4238889E-02 Vb(Abramov) -0.2864228E-02 Hb(Abramov) 0.1374661E-02 Ex_ueg -0.7222397E-03 Ec_ueg -0.1697901E-03 Delta_ex -0.1207085E-02 Delta_ec 0.8295541E-03 Delta_et -0.4594506E-02 Pxc 0.4253721E+01 Qxc -0.1455101E+01 3,-1 159 3 -1 3.179905 -0.061935 -3.174794 Rho 0.2509001E+00 |GRAD(Rho)| 0.5121005E-15 GRAD(Rho)x 0.3477036E-15 GRAD(Rho)y -0.1235719E-15 GRAD(Rho)z -0.3550762E-15 Laplacian 0.9267928E+00 (-1/4)Del**2(Rho)) -0.2316982E+00 Diamond 0.3431176E+01 Metallicity 0.7421050E+01 Ellipticity 0.1441122E-02 Gb(Abramov) 0.4410394E+00 Vb(Abramov) -0.6503807E+00 Hb(Abramov) -0.2093412E+00 Ex_ueg -0.1168744E+00 Ec_ueg -0.1519586E-01 Delta_ex -0.1131515E+00 Delta_ec 0.1996404E-01 Delta_et -0.2757645E+00 Pxc 0.7691203E+01 Qxc -0.5667767E+01 3,-1 160 3 -1 3.174369 0.060170 3.172965 Rho 0.2510603E+00 |GRAD(Rho)| 0.1339246E-13 GRAD(Rho)x -0.1186757E-13 GRAD(Rho)y 0.6087822E-14 GRAD(Rho)z -0.1207151E-14 Laplacian 0.9258426E+00 (-1/4)Del**2(Rho)) -0.2314607E+00 Diamond 0.3431846E+01 Metallicity 0.7436572E+01 Ellipticity 0.1425779E-02 Gb(Abramov) 0.4411861E+00 Vb(Abramov) -0.6509115E+00 Hb(Abramov) -0.2097254E+00 Ex_ueg -0.1169740E+00 Ec_ueg -0.1520703E-01 Delta_ex -0.1130623E+00 Delta_ec 0.1995358E-01 Delta_et -0.2756885E+00 Pxc 0.7692097E+01 Qxc -0.5666266E+01 3,-1 161 3 -1 -1.777847 0.538696 -2.776004 Rho 0.1446888E+00 |GRAD(Rho)| 0.2513144E-15 GRAD(Rho)x 0.2907017E-16 GRAD(Rho)y 0.2491090E-15 GRAD(Rho)z -0.1608007E-16 Laplacian 0.6131619E+00 (-1/4)Del**2(Rho)) -0.1532905E+00 Diamond 0.1194097E+01 Metallicity 0.4481566E+01 Ellipticity 0.9566606E-02 Gb(Abramov) 0.2166905E+00 Vb(Abramov) -0.2800906E+00 Hb(Abramov) -0.6340006E-01 Ex_ueg -0.5610029E-01 Ec_ueg -0.8104395E-02 Delta_ex -0.6531195E-01 Delta_ec 0.1577455E-01 Delta_et -0.2090874E+00 Pxc 0.6922206E+01 Qxc -0.4140338E+01 3,-1 162 3 -1 -1.988669 0.842330 2.990779 Rho 0.1325196E+00 |GRAD(Rho)| 0.6074539E-16 GRAD(Rho)x 0.2291732E-16 GRAD(Rho)y 0.5568733E-16 GRAD(Rho)z 0.7982438E-17 Laplacian 0.5212578E+00 (-1/4)Del**2(Rho)) -0.1303145E+00 Diamond 0.9045844E+00 Metallicity 0.4553662E+01 Ellipticity 0.4436915E-01 Gb(Abramov) 0.1857776E+00 Vb(Abramov) -0.2412408E+00 Hb(Abramov) -0.5546319E-01 Ex_ueg -0.4989901E-01 Ec_ueg -0.7334093E-02 Delta_ex -0.5424613E-01 Delta_ec 0.1351295E-01 Delta_et -0.1763566E+00 Pxc 0.6803706E+01 Qxc -0.4014381E+01 3,-1 163 3 -1 2.758005 0.559623 1.786160 Rho 0.1440179E+00 |GRAD(Rho)| 0.2107053E-15 GRAD(Rho)x -0.1314392E-15 GRAD(Rho)y -0.7789993E-16 GRAD(Rho)z -0.1450934E-15 Laplacian 0.6097268E+00 (-1/4)Del**2(Rho)) -0.1524317E+00 Diamond 0.1180920E+01 Metallicity 0.4472037E+01 Ellipticity 0.8177798E-02 Gb(Abramov) 0.2152345E+00 Vb(Abramov) -0.2780373E+00 Hb(Abramov) -0.6280280E-01 Ex_ueg -0.5575370E-01 Ec_ueg -0.8061680E-02 Delta_ex -0.6487365E-01 Delta_ec 0.1570637E-01 Delta_et -0.2080469E+00 Pxc 0.6915891E+01 Qxc -0.4130402E+01 3,-1 164 3 -1 -0.555627 -2.757563 1.789731 Rho 0.1433923E+00 |GRAD(Rho)| 0.2711443E-12 GRAD(Rho)x 0.1810833E-12 GRAD(Rho)y 0.3293618E-13 GRAD(Rho)z 0.1991062E-12 Laplacian 0.6079542E+00 (-1/4)Del**2(Rho)) -0.1519886E+00 Diamond 0.1171596E+01 Metallicity 0.4452649E+01 Ellipticity 0.8093435E-02 Gb(Abramov) 0.2141177E+00 Vb(Abramov) -0.2762468E+00 Hb(Abramov) -0.6212910E-01 Ex_ueg -0.5543100E-01 Ec_ueg -0.8021874E-02 Delta_ex -0.6461897E-01 Delta_ec 0.1568214E-01 Delta_et -0.2076026E+00 Pxc 0.6909980E+01 Qxc -0.4120546E+01 3,-1 165 3 -1 0.556685 1.790180 2.772594 Rho 0.1500469E+00 |GRAD(Rho)| 0.1472287E-13 GRAD(Rho)x 0.7476116E-15 GRAD(Rho)y -0.1268774E-13 GRAD(Rho)z -0.7431359E-14 Laplacian 0.6346263E+00 (-1/4)Del**2(Rho)) -0.1586566E+00 Diamond 0.1290220E+01 Metallicity 0.4600518E+01 Ellipticity 0.1025972E-01 Gb(Abramov) 0.2274215E+00 Vb(Abramov) -0.2961863E+00 Hb(Abramov) -0.6876488E-01 Ex_ueg -0.5888722E-01 Ec_ueg -0.8446515E-02 Delta_ex -0.6819463E-01 Delta_ec 0.1616588E-01 Delta_et -0.2153596E+00 Pxc 0.6971776E+01 Qxc -0.4218430E+01 3,-1 166 3 -1 0.874164 1.972162 -3.005730 Rho 0.1513808E+00 |GRAD(Rho)| 0.2501534E-15 GRAD(Rho)x -0.1992221E-15 GRAD(Rho)y 0.1299552E-15 GRAD(Rho)z 0.7745269E-16 Laplacian 0.5943962E+00 (-1/4)Del**2(Rho)) -0.1485991E+00 Diamond 0.1226410E+01 Metallicity 0.4984886E+01 Ellipticity 0.4312371E-01 Gb(Abramov) 0.2225243E+00 Vb(Abramov) -0.2964495E+00 Hb(Abramov) -0.7392522E-01 Ex_ueg -0.5958628E-01 Ec_ueg -0.8531966E-02 Delta_ex -0.6406057E-01 Delta_ec 0.1519682E-01 Delta_et -0.2029068E+00 Pxc 0.6983886E+01 Qxc -0.4215393E+01 3,-1 167 3 -1 1.793592 -2.765561 -0.553687 Rho 0.1415242E+00 |GRAD(Rho)| 0.3250351E-15 GRAD(Rho)x -0.2786671E-15 GRAD(Rho)y -0.1659371E-15 GRAD(Rho)z -0.2138589E-16 Laplacian 0.5999240E+00 (-1/4)Del**2(Rho)) -0.1499810E+00 Diamond 0.1139720E+01 Metallicity 0.4414703E+01 Ellipticity 0.8117134E-02 Gb(Abramov) 0.2103409E+00 Vb(Abramov) -0.2707008E+00 Hb(Abramov) -0.6035991E-01 Ex_ueg -0.5447024E-01 Ec_ueg -0.7903168E-02 Delta_ex -0.6357983E-01 Delta_ec 0.1555670E-01 Delta_et -0.2056073E+00 Pxc 0.6892204E+01 Qxc -0.4086975E+01 3,-1 168 3 -1 1.698838 -1.695876 0.531062 Rho 0.4716028E-01 |GRAD(Rho)| 0.1119820E-15 GRAD(Rho)x 0.1001312E-15 GRAD(Rho)y -0.4545475E-16 GRAD(Rho)z -0.2115613E-16 Laplacian 0.1800249E+00 (-1/4)Del**2(Rho)) -0.4500623E-01 Diamond 0.8142168E-01 Metallicity 0.2356357E+01 Ellipticity 0.6454916E-02 Gb(Abramov) 0.4767927E-01 Vb(Abramov) -0.5035232E-01 Hb(Abramov) -0.2673049E-02 Ex_ueg -0.1258404E-01 Ec_ueg -0.2258516E-02 Delta_ex -0.1446872E-01 Delta_ec 0.5128049E-02 Delta_et -0.5319501E-01 Pxc 0.5571819E+01 Qxc -0.2821486E+01 3,-1 169 3 -1 -0.856963 -1.990826 -2.992006 Rho 0.1342703E+00 |GRAD(Rho)| 0.4829167E-15 GRAD(Rho)x 0.3408054E-15 GRAD(Rho)y -0.2929650E-15 GRAD(Rho)z 0.1767250E-15 Laplacian 0.5321805E+00 (-1/4)Del**2(Rho)) -0.1330451E+00 Diamond 0.9512534E+00 Metallicity 0.4558837E+01 Ellipticity 0.2900796E-01 Gb(Abramov) 0.1897853E+00 Vb(Abramov) -0.2465254E+00 Hb(Abramov) -0.5674014E-01 Ex_ueg -0.5077988E-01 Ec_ueg -0.7444323E-02 Delta_ex -0.5570982E-01 Delta_ec 0.1402121E-01 Delta_et -0.1838966E+00 Pxc 0.6821289E+01 Qxc -0.3973254E+01 3,-1 170 3 -1 -0.544679 1.779430 -2.771034 Rho 0.1418939E+00 |GRAD(Rho)| 0.2923670E-12 GRAD(Rho)x 0.1951090E-12 GRAD(Rho)y 0.2116114E-12 GRAD(Rho)z 0.5129911E-13 Laplacian 0.6011078E+00 (-1/4)Del**2(Rho)) -0.1502769E+00 Diamond 0.1145277E+01 Metallicity 0.4425206E+01 Ellipticity 0.9279264E-02 Gb(Abramov) 0.2110190E+00 Vb(Abramov) -0.2717611E+00 Hb(Abramov) -0.6074209E-01 Ex_ueg -0.5466003E-01 Ec_ueg -0.7926640E-02 Delta_ex -0.6374282E-01 Delta_ec 0.1557220E-01 Delta_et -0.2058819E+00 Pxc 0.6895737E+01 Qxc -0.4093372E+01 3,-1 171 3 -1 -0.538037 2.737817 -1.784185 Rho 0.1297660E+00 |GRAD(Rho)| 0.2720441E-15 GRAD(Rho)x -0.2061204E-15 GRAD(Rho)y 0.7497936E-16 GRAD(Rho)z 0.1609363E-15 Laplacian 0.5414732E+00 (-1/4)Del**2(Rho)) -0.1353683E+00 Diamond 0.9333324E+00 Metallicity 0.4232895E+01 Ellipticity 0.1619390E-01 Gb(Abramov) 0.1857455E+00 Vb(Abramov) -0.2361227E+00 Hb(Abramov) -0.5037721E-01 Ex_ueg -0.4852134E-01 Ec_ueg -0.7161119E-02 Delta_ex -0.5627085E-01 Delta_ec 0.1447649E-01 Delta_et -0.1889923E+00 Pxc 0.6775665E+01 Qxc -0.3887051E+01 3,-1 172 3 -1 -0.056070 2.885616 0.066247 Rho 0.5983738E-02 |GRAD(Rho)| 0.2165373E-16 GRAD(Rho)x 0.1443966E-16 GRAD(Rho)y 0.1022885E-17 GRAD(Rho)z 0.1610385E-16 Laplacian 0.2462565E-01 (-1/4)Del**2(Rho)) -0.6156413E-02 Diamond 0.8241872E-03 Metallicity 0.5518822E+00 Ellipticity 0.3739565E+01 Gb(Abramov) 0.4670545E-02 Vb(Abramov) -0.3184676E-02 Hb(Abramov) 0.1485869E-02 Ex_ueg -0.8023217E-03 Ec_ueg -0.1894897E-03 Delta_ex -0.1336084E-02 Delta_ec 0.8967701E-03 Delta_et -0.5091732E-02 Pxc 0.4234118E+01 Qxc -0.1489885E+01 3,-1 173 3 -1 -0.057848 3.171601 -3.178025 Rho 0.2510498E+00 |GRAD(Rho)| 0.6991288E-12 GRAD(Rho)x 0.1484980E-12 GRAD(Rho)y -0.4947733E-12 GRAD(Rho)z 0.4710932E-12 Laplacian 0.9309654E+00 (-1/4)Del**2(Rho)) -0.2327414E+00 Diamond 0.3447126E+01 Metallicity 0.7395132E+01 Ellipticity 0.2144460E-02 Gb(Abramov) 0.4420198E+00 Vb(Abramov) -0.6512982E+00 Hb(Abramov) -0.2092784E+00 Ex_ueg -0.1169674E+00 Ec_ueg -0.1520629E-01 Delta_ex -0.1136689E+00 Delta_ec 0.2003262E-01 Delta_et -0.2766310E+00 Pxc 0.7692038E+01 Qxc -0.5674190E+01 3,-1 174 3 -1 0.054438 3.181019 3.180241 Rho 0.2517592E+00 |GRAD(Rho)| 0.1073747E-13 GRAD(Rho)x -0.5766031E-14 GRAD(Rho)y 0.9050378E-14 GRAD(Rho)z -0.3699298E-15 Laplacian 0.9235658E+00 (-1/4)Del**2(Rho)) -0.2308915E+00 Diamond 0.3442516E+01 Metallicity 0.7489527E+01 Ellipticity 0.1833474E-02 Gb(Abramov) 0.4421389E+00 Vb(Abramov) -0.6533864E+00 Hb(Abramov) -0.2112475E+00 Ex_ueg -0.1174083E+00 Ec_ueg -0.1525578E-01 Delta_ex -0.1129048E+00 Delta_ec 0.1995566E-01 Delta_et -0.2760522E+00 Pxc 0.7695991E+01 Qxc -0.5657785E+01 3,-1 175 3 -1 0.551925 2.762335 1.789850 Rho 0.1434558E+00 |GRAD(Rho)| 0.5443811E-15 GRAD(Rho)x 0.2501797E-16 GRAD(Rho)y -0.1785613E-15 GRAD(Rho)z 0.5136543E-15 Laplacian 0.6059965E+00 (-1/4)Del**2(Rho)) -0.1514991E+00 Diamond 0.1166543E+01 Metallicity 0.4470331E+01 Ellipticity 0.8496839E-02 Gb(Abramov) 0.2138746E+00 Vb(Abramov) -0.2762501E+00 Hb(Abramov) -0.6237549E-01 Ex_ueg -0.5546372E-01 Ec_ueg -0.8025913E-02 Delta_ex -0.6439775E-01 Delta_ec 0.1559407E-01 Delta_et -0.2063731E+00 Pxc 0.6910581E+01 Qxc -0.4129632E+01 3,-1 176 3 -1 1.972681 -0.855434 2.980784 Rho 0.1425092E+00 |GRAD(Rho)| 0.1101319E-12 GRAD(Rho)x 0.6255340E-13 GRAD(Rho)y 0.7424825E-13 GRAD(Rho)z -0.5199321E-13 Laplacian 0.5633659E+00 (-1/4)Del**2(Rho)) -0.1408415E+00 Diamond 0.1081033E+01 Metallicity 0.4755842E+01 Ellipticity 0.3507985E-01 Gb(Abramov) 0.2055309E+00 Vb(Abramov) -0.2702204E+00 Hb(Abramov) -0.6468946E-01 Ex_ueg -0.5497630E-01 Ec_ueg -0.7965732E-02 Delta_ex -0.5982570E-01 Delta_ec 0.1461850E-01 Delta_et -0.1934819E+00 Pxc 0.6901601E+01 Qxc -0.4092464E+01 3,-1 177 3 -1 0.392048 0.396483 -0.413081 Rho 0.1416528E+00 |GRAD(Rho)| 0.6545996E-11 GRAD(Rho)x -0.3826638E-11 GRAD(Rho)y -0.3698065E-11 GRAD(Rho)z 0.3811983E-11 Laplacian 0.7670822E+00 (-1/4)Del**2(Rho)) -0.1917705E+00 Diamond 0.1769359E+01 Metallicity 0.3457906E+01 Ellipticity 0.2995704E-03 Gb(Abramov) 0.2383678E+00 Vb(Abramov) -0.2849650E+00 Hb(Abramov) -0.4659724E-01 Ex_ueg -0.5453625E-01 Ec_ueg -0.7911332E-02 Delta_ex -0.8465141E-01 Delta_ec 0.2584695E-01 Delta_et -0.3542021E+00 Pxc 0.6893434E+01 Qxc -0.3275102E+01 3,-1 178 3 -1 2.754606 1.793229 0.552825 Rho 0.1422354E+00 |GRAD(Rho)| 0.2187590E-13 GRAD(Rho)x -0.3280992E-14 GRAD(Rho)y 0.1632364E-13 GRAD(Rho)z -0.1418904E-13 Laplacian 0.6017071E+00 (-1/4)Del**2(Rho)) -0.1504268E+00 Diamond 0.1149361E+01 Metallicity 0.4438546E+01 Ellipticity 0.9019905E-02 Gb(Abramov) 0.2115639E+00 Vb(Abramov) -0.2727010E+00 Hb(Abramov) -0.6113709E-01 Ex_ueg -0.5483551E-01 Ec_ueg -0.7948333E-02 Delta_ex -0.6383977E-01 Delta_ec 0.1557146E-01 Delta_et -0.2059312E+00 Pxc 0.6898994E+01 Qxc -0.4099792E+01 3,-1 179 3 -1 0.868034 2.980007 -1.990227 Rho 0.1453455E+00 |GRAD(Rho)| 0.7240978E-13 GRAD(Rho)x -0.1758245E-13 GRAD(Rho)y 0.4884609E-13 GRAD(Rho)z 0.5047865E-13 Laplacian 0.5742710E+00 (-1/4)Del**2(Rho)) -0.1435677E+00 Diamond 0.1127560E+01 Metallicity 0.4821314E+01 Ellipticity 0.3903940E-01 Gb(Abramov) 0.2110760E+00 Vb(Abramov) -0.2785843E+00 Hb(Abramov) -0.6750828E-01 Ex_ueg -0.5644000E-01 Ec_ueg -0.8146225E-02 Delta_ex -0.6126938E-01 Delta_ec 0.1481513E-01 Delta_et -0.1966267E+00 Pxc 0.6928363E+01 Qxc -0.4135594E+01 3,-1 180 3 -1 -0.860330 1.977719 2.983491 Rho 0.1442061E+00 |GRAD(Rho)| 0.7370020E-16 GRAD(Rho)x 0.3136055E-16 GRAD(Rho)y 0.5244828E-16 GRAD(Rho)z -0.4119968E-16 Laplacian 0.5700851E+00 (-1/4)Del**2(Rho)) -0.1425213E+00 Diamond 0.1108910E+01 Metallicity 0.4793430E+01 Ellipticity 0.3637108E-01 Gb(Abramov) 0.2088751E+00 Vb(Abramov) -0.2752290E+00 Hb(Abramov) -0.6635387E-01 Ex_ueg -0.5585089E-01 Ec_ueg -0.8073661E-02 Delta_ex -0.6070706E-01 Delta_ec 0.1473739E-01 Delta_et -0.1953724E+00 Pxc 0.6917665E+01 Qxc -0.4119255E+01 3,-1 181 3 -1 -2.952259 1.944395 0.866032 Rho 0.1593498E+00 |GRAD(Rho)| 0.2049776E-13 GRAD(Rho)x 0.7379053E-14 GRAD(Rho)y 0.1184819E-13 GRAD(Rho)z -0.1501094E-13 Laplacian 0.6272964E+00 (-1/4)Del**2(Rho)) -0.1568241E+00 Diamond 0.1365824E+01 Metallicity 0.5145087E+01 Ellipticity 0.4025498E-01 Gb(Abramov) 0.2390283E+00 Vb(Abramov) -0.3212326E+00 Hb(Abramov) -0.8220423E-01 Ex_ueg -0.6380484E-01 Ec_ueg -0.9044695E-02 Delta_ex -0.6836805E-01 Delta_ec 0.1565777E-01 Delta_et -0.2100820E+00 Pxc 0.7054394E+01 Qxc -0.4366397E+01 3,-1 182 3 -1 1.980497 -2.982866 0.861030 Rho 0.1429610E+00 |GRAD(Rho)| 0.5610438E-13 GRAD(Rho)x 0.4500507E-13 GRAD(Rho)y -0.2266831E-13 GRAD(Rho)z -0.2466561E-13 Laplacian 0.5668716E+00 (-1/4)Del**2(Rho)) -0.1417179E+00 Diamond 0.1092019E+01 Metallicity 0.4751430E+01 Ellipticity 0.3399931E-01 Gb(Abramov) 0.2067057E+00 Vb(Abramov) -0.2716936E+00 Hb(Abramov) -0.6498782E-01 Ex_ueg -0.5520882E-01 Ec_ueg -0.7994450E-02 Delta_ex -0.6024566E-01 Delta_ec 0.1470031E-01 Delta_et -0.1946616E+00 Pxc 0.6905894E+01 Qxc -0.4098258E+01 3,-1 183 3 -1 -4.014911 3.928088 -0.922661 Rho 0.3293270E+00 |GRAD(Rho)| 0.5888676E-15 GRAD(Rho)x 0.1762318E-15 GRAD(Rho)y 0.5433723E-15 GRAD(Rho)z 0.1430173E-15 Laplacian -0.1811272E+01 (-1/4)Del**2(Rho)) 0.4528181E+00 Diamond 0.6410548E+01 Metallicity -0.5975051E+01 Ellipticity 0.2149618E-02 Gb(Abramov) 0.1490565E+00 Vb(Abramov) -0.7509311E+00 Hb(Abramov) -0.6018746E+00 Ex_ueg -0.1679661E+00 Ec_ueg -0.2083333E-01 Delta_ex 0.1829104E+00 Delta_ec 0.6231264E-01 Delta_et -0.1499986E+01 Pxc 0.8062372E+01 Qxc 0.2935366E+01 3,-1 184 3 -1 3.167017 3.181593 0.052000 Rho 0.2509074E+00 |GRAD(Rho)| 0.1671788E-13 GRAD(Rho)x -0.1282243E-13 GRAD(Rho)y -0.8405819E-14 GRAD(Rho)z 0.6664455E-14 Laplacian 0.9250528E+00 (-1/4)Del**2(Rho)) -0.2312632E+00 Diamond 0.3426627E+01 Metallicity 0.7435365E+01 Ellipticity 0.1241965E-02 Gb(Abramov) 0.4407632E+00 Vb(Abramov) -0.6502632E+00 Hb(Abramov) -0.2095000E+00 Ex_ueg -0.1168789E+00 Ec_ueg -0.1519636E-01 Delta_ex -0.1129488E+00 Delta_ec 0.1994227E-01 Delta_et -0.2755391E+00 Pxc 0.7691244E+01 Qxc -0.5663790E+01 3,-1 185 3 -1 -3.166162 0.049303 -3.186271 Rho 0.2511254E+00 |GRAD(Rho)| 0.2690679E-15 GRAD(Rho)x 0.1271769E-15 GRAD(Rho)y -0.1896270E-15 GRAD(Rho)z -0.1423557E-15 Laplacian 0.9317619E+00 (-1/4)Del**2(Rho)) -0.2329405E+00 Diamond 0.3450968E+01 Metallicity 0.7392523E+01 Ellipticity 0.2849200E-02 Gb(Abramov) 0.4422966E+00 Vb(Abramov) -0.6516528E+00 Hb(Abramov) -0.2093561E+00 Ex_ueg -0.1170144E+00 Ec_ueg -0.1521157E-01 Delta_ex -0.1137734E+00 Delta_ec 0.2004469E-01 Delta_et -0.2767837E+00 Pxc 0.7692460E+01 Qxc -0.5675984E+01 3,-1 186 3 -1 -3.185499 -0.073945 3.197513 Rho 0.2414891E+00 |GRAD(Rho)| 0.3409787E-12 GRAD(Rho)x 0.2411634E-12 GRAD(Rho)y 0.6167506E-13 GRAD(Rho)z -0.2330297E-12 Laplacian 0.8644652E+00 (-1/4)Del**2(Rho)) -0.2161163E+00 Diamond 0.3095582E+01 Metallicity 0.7464971E+01 Ellipticity 0.9209737E-03 Gb(Abramov) 0.4129612E+00 Vb(Abramov) -0.6098060E+00 Hb(Abramov) -0.1968449E+00 Ex_ueg -0.1110661E+00 Ec_ueg -0.1454211E-01 Delta_ex -0.1046950E+00 Delta_ec 0.1920658E-01 Delta_et -0.2667440E+00 Pxc 0.7637554E+01 Qxc -0.5450997E+01 3,-1 187 3 -1 2.985419 -1.975092 0.862934 Rho 0.1438028E+00 |GRAD(Rho)| 0.3906338E-09 GRAD(Rho)x 0.1723985E-09 GRAD(Rho)y 0.2086614E-09 GRAD(Rho)z 0.2816628E-09 Laplacian 0.5699446E+00 (-1/4)Del**2(Rho)) -0.1424861E+00 Diamond 0.1105478E+01 Metallicity 0.4772280E+01 Ellipticity 0.3519011E-01 Gb(Abramov) 0.2083214E+00 Vb(Abramov) -0.2741566E+00 Hb(Abramov) -0.6583524E-01 Ex_ueg -0.5564268E-01 Ec_ueg -0.8047989E-02 Delta_ex -0.6065659E-01 Delta_ec 0.1475450E-01 Delta_et -0.1955409E+00 Pxc 0.6913861E+01 Qxc -0.4111057E+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 82 83 99 156 164 100 135 133 155 95 93 169 129 134 148 170 171 166 179 173 123 165 175 180 154 174 168 138 167 187 182 125 137 178 157 118 119 184 142 64 144 181 146 140 71 128 153 127 152 126 81 57 161 120 73 185 79 121 77 60 162 186 111 163 112 151 176 160 107 139 109 116 113 159 66 84 177 91 58 158 122 86 172 132 183 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 17 18 21 22 25 26 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 19 20 23 24 27 28 54 2.384868 1.947867 1.929076 1.939496 1.935082 1.726643 2.379640 1.930408 1.920425 1.967199 1.941250 1.726485 2.364657 1.933464 1.970772 1.920579 1.936518 1.726403 2.408470 1.911328 1.929546 1.939574 1.967973 1.725561 2.410015 1.930621 1.934063 1.939999 1.942250 1.725712 2.380205 1.932509 1.933589 1.945880 1.944789 1.726808 2.234579 1.882341 1.897679 1.902257 1.914456 1.870494 2.381403 1.933887 1.933432 1.943114 1.944693 1.726924 2.363123 1.985585 1.925743 1.939212 1.912518 1.726266 2.463485 1.932336 1.910627 1.988822 1.949255 1.714431 2.383027 1.927535 1.943654 1.937384 1.944074 1.726556 2.371137 1.925466 1.934417 1.940230 1.960465 1.726793 1.641561 1.643481 1.643485 1.653259 3.214310 3.251581 3.235988 3.261686 3.203637 3.256031 0.980302 2.385553 1.948281 1.929435 1.940134 1.935654 1.726647 2.380262 1.930812 1.920822 1.967830 1.941900 1.726488 2.365344 1.933877 1.971130 1.921130 1.937111 1.726406 2.409142 1.911686 1.929899 1.940155 1.968325 1.725567 2.410710 1.931025 1.934462 1.940594 1.942852 1.725715 2.380868 1.932860 1.933997 1.946475 1.945381 1.726813 2.235143 1.882852 1.898209 1.902893 1.915161 1.872238 2.382072 1.934337 1.933777 1.943712 1.945282 1.726927 2.363817 1.985908 1.926123 1.939816 1.913085 1.726268 2.463999 1.932854 1.911132 1.989335 1.950061 1.714443 2.383707 1.927899 1.943996 1.938003 1.944675 1.726562 2.371759 1.925860 1.934821 1.940828 1.961067 1.726798 1.641563 1.643483 1.643486 1.653316 3.223530 3.260184 3.244521 3.270525 3.215378 3.264830 0.980551 27 25 23 26 23 21 27 25 27 25 27 21 27 27 27 23 23 20 31 23 23 23 23 22 27 25 25 23 23 21 27 23 25 23 23 22 25 23 24 23 26 23 27 27 23 23 23 21 27 26 23 23 25 21 27 28 25 23 23 21 27 23 23 25 23 25 27 26 25 23 23 22 21 23 20 23 35 35 35 35 35 35 19 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 W W W W W W W W W Mo 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 2.5178 2.5167 2.5209 2.5071 2.5131 2.5192 2.6284 2.5169 2.5202 2.3994 2.5194 2.5162 -1.1690 -1.1765 -1.1766 -1.1687 -0.9168 -0.9497 -0.9279 -0.9508 -0.9497 -0.9489 -0.9515 -0.9144 -0.9320 -0.9484 -0.9494 -0.9492 -0.9465 -0.9446 -0.9467 -0.9013 -0.9460 -0.9438 -0.9124 -0.9433 -0.9472 -0.9312 -0.9464 -0.9450 -0.7399 -0.7402 -0.7374 -0.7373 -0.7393 -0.7417 -0.6913 -0.7412 -0.7362 -0.6571 -0.7404 -0.7409 2.4867 0.2952 2.0884 2.0921 2.0891 2.0888 2.0923 2.0915 2.0768 2.0893 2.0895 1.9342 2.0914 2.0929 1.8927 1.8928 1.8926 1.8964 1.9393 1.9350 1.9401 1.9350 1.9351 1.9354 1.9348 1.9403 1.9392 1.9357 1.9350 1.9350 1.9480 1.9481 1.9481 1.9515 1.9479 1.9488 1.9500 1.9490 1.9482 1.9512 1.9481 1.9482 1.9739 1.9742 1.9743 1.9752 1.9747 1.9739 1.8761 1.9738 1.9744 1.9866 1.9740 1.9741 2.2856 0.6043 6.0834 6.0862 6.0848 6.0891 6.0879 6.0851 6.0934 6.0833 6.0843 6.0564 6.0850 6.0863 5.2473 5.2538 5.2541 5.2417 4.9490 4.9838 4.9564 4.9853 4.9843 4.9825 4.9862 4.9453 4.9619 4.9822 4.9840 4.9832 4.9645 4.9627 4.9651 4.9180 4.9645 4.9609 4.9313 4.9601 4.9656 4.9460 4.9643 4.9630 4.7280 4.7280 4.7250 4.7240 4.7265 4.7299 4.7838 4.7295 4.7238 4.6344 4.7284 4.7289 6.6299 0.1005 3.2810 3.2755 3.2758 3.2856 3.2773 3.2748 3.1697 3.2811 3.2767 3.6100 3.2747 3.2752 0.0290 0.0298 0.0300 0.0307 0.0285 0.0309 0.0314 0.0306 0.0304 0.0310 0.0305 0.0289 0.0310 0.0305 0.0305 0.0310 0.0340 0.0337 0.0335 0.0318 0.0336 0.0340 0.0311 0.0342 0.0335 0.0340 0.0340 0.0338 0.0380 0.0380 0.0381 0.0382 0.0381 0.0379 0.0314 0.0379 0.0381 0.0362 0.0380 0.0379 0.5978 0.0000 14.0294 14.0294 14.0294 14.0294 14.0294 14.0294 14.0317 14.0294 14.0294 0.0000 14.0295 14.0294 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 W W W W W W W W W Mo 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 2.527215 2.526723 2.527446 2.524429 2.526757 2.527089 2.578085 2.525872 2.527329 3.186734 2.528732 2.527431 -1.073719 -1.073096 -1.073415 -1.096388 -1.052350 -0.937155 -0.916145 -0.938145 -0.939069 -0.936265 -0.938351 -1.055605 -0.921942 -0.935302 -0.938562 -0.936811 -0.912861 -0.912771 -0.913838 -1.000919 -0.913403 -0.910246 -1.025070 -0.909331 -0.914076 -0.898001 -0.912680 -0.912711 -0.762828 -0.763360 -0.758948 -0.758994 -0.761644 -0.765115 -0.517879 -0.764656 -0.757821 -0.921454 -0.763608 -0.764234 1.766815 0.158112 1.952996 1.946497 1.948003 1.950416 1.946554 1.945438 1.826063 1.949906 1.948870 2.374530 1.947757 1.946241 -0.782456 -0.779139 -0.776436 -0.799852 -0.798472 -0.698867 -0.662186 -0.699673 -0.700556 -0.701517 -0.697411 -0.804761 -0.663888 -0.697860 -0.698609 -0.699546 -0.740966 -0.738721 -0.744161 -0.790421 -0.738959 -0.743913 -0.825520 -0.743441 -0.742756 -0.702814 -0.740197 -0.742520 -0.647044 -0.649654 -0.642764 -0.638836 -0.648075 -0.652774 -0.655226 -0.649987 -0.640711 -0.679006 -0.650627 -0.651091 1.335670 0.442473 2.049019 2.041687 2.041234 2.041574 2.041915 2.042089 2.022998 2.047115 2.041019 2.450754 2.042976 2.042054 -0.831933 -0.823792 -0.821848 -0.839776 -0.873553 -0.774779 -0.762758 -0.776607 -0.776946 -0.776609 -0.773472 -0.877654 -0.764722 -0.777460 -0.776299 -0.774429 -0.775110 -0.771440 -0.777757 -0.829099 -0.770379 -0.773792 -0.867776 -0.772840 -0.777336 -0.745327 -0.773894 -0.776450 -0.614176 -0.617185 -0.610188 -0.602883 -0.615141 -0.620077 -0.648391 -0.617323 -0.608255 -0.639952 -0.617896 -0.618662 1.291679 0.447847 -8.08173666 6.79576545 -1.32016712 10.64141611 10.76367320 -31.86662095 6.71295011 4.75062975 -10.19279181 -15.51430295 -417.2505 411.9457 -57.8520 -394.1343 -10.8600 -468.1512 Apr23-2024 01:01:44 Nodes: 1 Procs: 1 Apr23-2024 01:01:44 Nodes: 1 Procs: 1 0 Apr23-2024 01:01:45 Nodes: 1 Procs: 1 Apr23-2024 01:01:45 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr23-2024 01:01:46 Nodes: 1 Procs: 1 Apr23-2024 01:01:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr23-2024 01:01:47 Nodes: 1 Procs: 1 Apr23-2024 01:01:47 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr23-2024 01:01:48 Nodes: 1 Procs: 1 Apr23-2024 01:01:49 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr23-2024 01:01:50 Nodes: 1 Procs: 28 *** (NO TITLE) *** -3 -16.62557461 -17.06745891 -16.76603080 -17.17760388 -17.20003663 -17.20281595 -17.20312972 -17.20380965 -17.20393683 -17.20411419 -17.20418861 -17.20423052 -17.20423825 -17.20424080 GEOMETRY CONVERGED