ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 17:32:36 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.02 0.40 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 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 17:32:36 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.04 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 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 0 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 Apr21-2024 17:32:37 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 17:32:37 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.67 0.03 0.74 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 0 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 Apr21-2024 17:32:37 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr21-2024 17:32:37 Nodes: 1 Procs: 1 Apr21-2024 17:32:38 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 17:32:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.01 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 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 0 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 Apr21-2024 17:32:37 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr21-2024 17:32:37 Nodes: 1 Procs: 1 Apr21-2024 17:32:38 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr21-2024 17:32:38 Nodes: 1 Procs: 1 Apr21-2024 17:32:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 17:32:39 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 1.26 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 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 0 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 Apr21-2024 17:32:37 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr21-2024 17:32:37 Nodes: 1 Procs: 1 Apr21-2024 17:32:38 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr21-2024 17:32:38 Nodes: 1 Procs: 1 Apr21-2024 17:32:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr21-2024 17:32:39 Nodes: 1 Procs: 1 Apr21-2024 17:32:40 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 17:32:42 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2586.4021000000043 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677.624520 1.000000 298.150000 78167.7263 82976.6918 88913.0114 1 NOSYM 298.15 49.421 41.574 222.110 313.105 0.889 0.889 140.175 141.952 2.981 2.981 216.813 222.774 2586.4021000000043 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3.730327 0.224549 -3.738244 3.713197 -0.186424 -3.787056 -3.656719 0.225200 -3.753958 0.311984 -3.670195 -3.713753 -0.179773 3.800513 3.699019 0.178498 3.745551 -1.514386 -2.359355 -2.917899 -0.542904 -3.336603 -1.297425 1.092297 -1.932217 -2.405886 1 3 -3 0.105658 -2.568793 2.521917 Rho 0.1240649E+06 3,-3 2 3 -3 -0.058437 -0.023382 -0.010037 Rho 0.1943306E+04 3,-3 3 3 -3 0.124966 2.472169 -2.494488 Rho 0.4361414E+07 3,-3 4 3 -3 -0.109017 2.516918 2.522040 Rho 0.4361414E+07 3,-3 5 3 -3 2.430239 -2.563020 0.016547 Rho 0.4361414E+07 3,-3 6 3 -3 2.526104 2.505396 -0.097685 Rho 0.4361414E+07 3,-3 7 3 -3 -2.546293 2.494536 0.152937 Rho 0.4361414E+07 3,-3 8 3 -3 -2.577057 -2.453395 -0.119613 Rho 0.4361414E+07 3,-3 9 3 -3 -2.529922 -0.133526 -2.516553 Rho 0.4361414E+07 3,-3 10 3 -3 -2.504627 0.119628 2.588700 Rho 0.4361414E+07 3,-3 11 3 -3 2.521473 -0.182190 2.518198 Rho 0.4361414E+07 3,-3 12 3 -3 2.581623 0.101466 -2.543111 Rho 0.4361415E+07 3,-3 13 3 -3 0.927058 -0.974506 0.913483 Rho 0.3186719E+03 3,-3 14 3 -3 -1.115015 -0.894547 -0.899277 Rho 0.3186370E+03 3,-3 15 3 -3 0.918766 0.919651 -0.960817 Rho 0.3186663E+03 3,-3 16 3 -3 -0.949819 0.959802 0.993080 Rho 0.3186619E+03 3,-3 17 3 -3 -3.036413 -1.131136 1.211889 Rho 0.3188849E+03 3,-3 18 3 -3 3.055307 -1.128662 -1.128274 Rho 0.3188587E+03 3,-3 19 3 -3 -3.028198 1.136582 -1.119343 Rho 0.3188869E+03 3,-3 20 3 -3 2.988890 1.160704 1.169276 Rho 0.3188708E+03 3,-3 21 3 -3 1.318772 -1.225578 -3.087900 Rho 0.3187389E+03 3,-3 22 3 -3 1.122204 1.152714 2.982311 Rho 0.3188890E+03 3,-3 23 3 -3 -1.134042 1.067664 -3.004860 Rho 0.3188798E+03 3,-3 24 3 -3 -1.160710 -1.125551 3.053196 Rho 0.3189471E+03 3,-3 25 3 -3 -1.157247 2.948660 -1.155852 Rho 0.3188760E+03 3,-3 26 3 -3 -1.182232 -2.969579 1.181869 Rho 0.3189628E+03 3,-3 27 3 -3 1.121403 3.022449 1.120176 Rho 0.3188764E+03 3,-3 28 3 -3 1.156147 -3.046756 -1.165536 Rho 0.3191323E+03 3,-3 29 3 -3 3.392311 -1.513977 1.542774 Rho 0.3190171E+03 3,-3 30 3 -3 -3.523483 -1.514874 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3.713197 -0.186424 Rho 0.3193327E+03 3,-3 48 3 -3 -3.787056 -3.656719 0.225200 Rho 0.3193302E+03 3,-3 49 3 -3 -3.753958 0.311984 -3.670195 Rho 0.3193309E+03 3,-3 50 3 -3 -3.713753 -0.179773 3.800513 Rho 0.3193332E+03 3,-3 51 3 -3 3.699019 0.178498 3.745551 Rho 0.3193276E+03 3,-3 52 3 -3 -1.514386 -2.359355 -2.917899 Rho 0.4444308E+00 3,-3 53 3 -3 -0.542904 -3.336603 -1.297425 Rho 0.4322573E+00 3,-3 54 3 -3 1.092297 -1.932217 -2.405886 Rho 0.4280836E+00 3,-3 55 3 -1 -1.832045 -2.711575 0.570208 Rho 0.1276894E+00 |GRAD(Rho)| 0.1013901E-13 GRAD(Rho)x -0.8790210E-14 GRAD(Rho)y -0.4052744E-14 GRAD(Rho)z -0.3017782E-14 Laplacian 0.5379929E+00 (-1/4)Del**2(Rho)) -0.1344982E+00 Diamond 0.9087109E+00 Metallicity 0.4147260E+01 Ellipticity 0.1624332E-01 Gb(Abramov) 0.1826320E+00 Vb(Abramov) -0.2307658E+00 Hb(Abramov) -0.4813378E-01 Ex_ueg -0.4748883E-01 Ec_ueg -0.7031009E-02 Delta_ex -0.5568314E-01 Delta_ec 0.1442034E-01 Delta_et -0.1877197E+00 Pxc 0.6754199E+01 Qxc -0.3861429E+01 3,-1 56 3 -1 -1.808351 -1.636978 -0.502074 Rho 0.6417743E-01 |GRAD(Rho)| 0.5491193E-13 GRAD(Rho)x -0.4113561E-14 GRAD(Rho)y 0.5123744E-13 GRAD(Rho)z 0.1931640E-13 Laplacian 0.2513685E+00 (-1/4)Del**2(Rho)) -0.6284212E-01 Diamond 0.1743128E+00 Metallicity 0.2820154E+01 Ellipticity 0.1672633E-01 Gb(Abramov) 0.7143216E-01 Vb(Abramov) -0.8002220E-01 Hb(Abramov) -0.8590040E-02 Ex_ueg -0.1897703E-01 Ec_ueg -0.3212365E-02 Delta_ex -0.2190339E-01 Delta_ec 0.7221665E-02 Delta_et -0.8103465E-01 Pxc 0.5907493E+01 Qxc -0.3033011E+01 3,-1 57 3 +1 -0.556496 0.500248 -1.647667 Rho 0.9451280E-02 |GRAD(Rho)| 0.2263750E-12 GRAD(Rho)x 0.9013441E-13 GRAD(Rho)y 0.8001776E-13 GRAD(Rho)z 0.1916209E-12 Laplacian 0.3854638E-01 (-1/4)Del**2(Rho)) -0.9636594E-02 Diamond 0.1139022E-02 Metallicity 0.7552904E+00 Ellipticity -0.1404127E+01 Gb(Abramov) 0.7637467E-02 Vb(Abramov) -0.5638340E-02 Hb(Abramov) 0.1999127E-02 Ex_ueg -0.1475840E-02 Ec_ueg -0.3432278E-03 Delta_ex -0.1790112E-02 Delta_ec 0.5181216E-03 Delta_et -0.3647179E-02 Pxc 0.4299884E+01 Qxc -0.3455003E+01 3,+1 58 3 -1 -1.550150 -2.727606 -2.380601 Rho 0.3081278E-01 |GRAD(Rho)| 0.4030718E-16 GRAD(Rho)x 0.6911087E-17 GRAD(Rho)y 0.3442222E-16 GRAD(Rho)z -0.1979940E-16 Laplacian 0.9288248E-01 (-1/4)Del**2(Rho)) -0.2322062E-01 Diamond 0.3568360E-01 Metallicity 0.2246799E+01 Ellipticity 0.3210891E-01 Gb(Abramov) 0.2417576E-01 Vb(Abramov) -0.2513089E-01 Hb(Abramov) -0.9551377E-03 Ex_ueg -0.7134435E-02 Ec_ueg -0.1385607E-02 Delta_ex -0.7711829E-02 Delta_ec 0.4434678E-02 Delta_et -0.4097231E-01 Pxc 0.5148959E+01 Qxc -0.1738983E+01 3,-1 59 3 +1 -2.154937 -2.143707 -2.027392 Rho 0.1189626E-01 |GRAD(Rho)| 0.2242850E-16 GRAD(Rho)x 0.1724016E-17 GRAD(Rho)y 0.1228637E-16 GRAD(Rho)z -0.1868449E-16 Laplacian 0.5193617E-01 (-1/4)Del**2(Rho)) -0.1298404E-01 Diamond 0.1749963E-02 Metallicity 0.8225468E+00 Ellipticity -0.1242491E+01 Gb(Abramov) 0.1043603E-01 Vb(Abramov) -0.7888008E-02 Hb(Abramov) 0.2548017E-02 Ex_ueg -0.2005698E-02 Ec_ueg -0.4547821E-03 Delta_ex -0.2457452E-02 Delta_ec 0.5141551E-03 Delta_et -0.3970627E-02 Pxc 0.4410240E+01 Qxc -0.4779592E+01 3,+1 60 3 -1 -1.998971 -2.992274 -0.795622 Rho 0.1385345E+00 |GRAD(Rho)| 0.4543291E-15 GRAD(Rho)x -0.9726649E-16 GRAD(Rho)y 0.1810618E-15 GRAD(Rho)z 0.4051799E-15 Laplacian 0.5101959E+00 (-1/4)Del**2(Rho)) -0.1275490E+00 Diamond 0.9637703E+00 Metallicity 0.5009634E+01 Ellipticity 0.9855935E-01 Gb(Abramov) 0.1915283E+00 Vb(Abramov) -0.2555076E+00 Hb(Abramov) -0.6397929E-01 Ex_ueg -0.5294142E-01 Ec_ueg -0.7713646E-02 Delta_ex -0.5400153E-01 Delta_ec 0.1367556E-01 Delta_et -0.1809255E+00 Pxc 0.6863346E+01 Qxc -0.3948763E+01 3,-1 61 3 +3 0.031903 -0.062505 2.313749 Rho 0.4841550E-02 |GRAD(Rho)| 0.1292724E-13 GRAD(Rho)x -0.4319559E-14 GRAD(Rho)y -0.1018779E-13 GRAD(Rho)z -0.6683107E-14 Laplacian 0.2001724E-01 (-1/4)Del**2(Rho)) -0.5004311E-02 Diamond 0.1809412E-03 Metallicity 0.4769977E+00 Ellipticity -0.3645921E+00 Gb(Abramov) 0.3734048E-02 Vb(Abramov) -0.2463785E-02 Hb(Abramov) 0.1270263E-02 Ex_ueg -0.6049196E-03 Ec_ueg -0.1401004E-03 Delta_ex -0.7311692E-03 Delta_ec 0.1698357E-03 Delta_et -0.1100285E-02 Pxc 0.4317756E+01 Qxc -0.4305155E+01 3,+3 62 3 +1 -1.740288 -0.449317 0.607592 Rho 0.9528017E-02 |GRAD(Rho)| 0.2440766E-17 GRAD(Rho)x 0.1445812E-17 GRAD(Rho)y -0.1440059E-17 GRAD(Rho)z -0.1339103E-17 Laplacian 0.3851171E-01 (-1/4)Del**2(Rho)) -0.9627927E-02 Diamond 0.1124997E-02 Metallicity 0.7662278E+00 Ellipticity -0.1393063E+01 Gb(Abramov) 0.7648149E-02 Vb(Abramov) -0.5668371E-02 Hb(Abramov) 0.1979778E-02 Ex_ueg -0.1491838E-02 Ec_ueg -0.3466911E-03 Delta_ex -0.1782150E-02 Delta_ec 0.4996638E-03 Delta_et -0.3539216E-02 Pxc 0.4303077E+01 Qxc -0.3566699E+01 3,+1 63 3 +1 0.087984 -2.915694 0.120545 Rho 0.5271230E-02 |GRAD(Rho)| 0.1199908E-16 GRAD(Rho)x 0.4587742E-17 GRAD(Rho)y 0.5407247E-17 GRAD(Rho)z 0.9679469E-17 Laplacian 0.2134380E-01 (-1/4)Del**2(Rho)) -0.5335950E-02 Diamond 0.5193558E-03 Metallicity 0.5154596E+00 Ellipticity -0.2936851E+01 Gb(Abramov) 0.4015711E-02 Vb(Abramov) -0.2695472E-02 Hb(Abramov) 0.1320239E-02 Ex_ueg -0.6775390E-03 Ec_ueg -0.1586035E-03 Delta_ex -0.1059107E-02 Delta_ec 0.6488914E-03 Delta_et -0.3589671E-02 Pxc 0.4271904E+01 Qxc -0.1632180E+01 3,+1 64 3 +1 -1.758644 -1.719589 1.790145 Rho 0.1216380E-01 |GRAD(Rho)| 0.2883186E-12 GRAD(Rho)x 0.2465246E-12 GRAD(Rho)y -0.1114711E-12 GRAD(Rho)z 0.9963658E-13 Laplacian 0.6106875E-01 (-1/4)Del**2(Rho)) -0.1526719E-01 Diamond 0.2487081E-02 Metallicity 0.7259546E+00 Ellipticity -0.1253510E+01 Gb(Abramov) 0.1202534E-01 Vb(Abramov) -0.8783490E-02 Hb(Abramov) 0.3241848E-02 Ex_ueg -0.2066065E-02 Ec_ueg -0.4671357E-03 Delta_ex -0.3010889E-02 Delta_ec 0.7896913E-03 Delta_et -0.5943297E-02 Pxc 0.4422836E+01 Qxc -0.3812741E+01 3,+1 65 3 +3 -1.810935 -1.937229 -1.891212 Rho 0.1120946E-01 |GRAD(Rho)| 0.1682511E-16 GRAD(Rho)x -0.5560136E-17 GRAD(Rho)y -0.1414538E-16 GRAD(Rho)z 0.7216456E-17 Laplacian 0.4879115E-01 (-1/4)Del**2(Rho)) -0.1219779E-01 Diamond 0.1065910E-02 Metallicity 0.7929510E+00 Ellipticity -0.8183973E+00 Gb(Abramov) 0.9743899E-02 Vb(Abramov) -0.7290012E-02 Hb(Abramov) 0.2453888E-02 Ex_ueg -0.1852811E-02 Ec_ueg -0.4231988E-03 Delta_ex -0.2129476E-02 Delta_ec 0.2294297E-03 Delta_et -0.2013011E-02 Pxc 0.4378110E+01 Qxc -0.9281604E+01 3,+3 66 3 +1 -1.587482 -1.943933 -1.904742 Rho 0.1131136E-01 |GRAD(Rho)| 0.1537155E-15 GRAD(Rho)x 0.7579674E-16 GRAD(Rho)y -0.1203581E-15 GRAD(Rho)z 0.5828582E-16 Laplacian 0.4943597E-01 (-1/4)Del**2(Rho)) -0.1235899E-01 Diamond 0.1480345E-02 Metallicity 0.7945017E+00 Ellipticity -0.1160912E+01 Gb(Abramov) 0.9875868E-02 Vb(Abramov) -0.7392744E-02 Hb(Abramov) 0.2483124E-02 Ex_ueg -0.1875303E-02 Ec_ueg -0.4278730E-03 Delta_ex -0.2284182E-02 Delta_ec 0.4482956E-03 Delta_et -0.3466225E-02 Pxc 0.4382850E+01 Qxc -0.5095258E+01 3,+1 67 3 +3 -0.101554 -2.315420 -0.115637 Rho 0.4372484E-02 |GRAD(Rho)| 0.4583794E-15 GRAD(Rho)x 0.2497943E-15 GRAD(Rho)y 0.2890638E-15 GRAD(Rho)z 0.2532917E-15 Laplacian 0.1782074E-01 (-1/4)Del**2(Rho)) -0.4455185E-02 Diamond 0.1363193E-03 Metallicity 0.4520999E+00 Ellipticity -0.2993936E+00 Gb(Abramov) 0.3305821E-02 Vb(Abramov) -0.2156458E-02 Hb(Abramov) 0.1149364E-02 Ex_ueg -0.5280673E-03 Ec_ueg -0.1200090E-03 Delta_ex -0.6296360E-03 Delta_ec 0.1433895E-03 Delta_et -0.9189738E-03 Pxc 0.4400232E+01 Qxc -0.4391088E+01 3,+3 68 3 +3 -1.112160 -1.078318 1.157153 Rho 0.5144407E-02 |GRAD(Rho)| 0.1100579E-13 GRAD(Rho)x 0.5829307E-14 GRAD(Rho)y -0.6838982E-14 GRAD(Rho)z 0.6354131E-14 Laplacian 0.2021224E-01 (-1/4)Del**2(Rho)) -0.5053060E-02 Diamond 0.1437876E-03 Metallicity 0.5226660E+00 Ellipticity -0.1028473E+00 Gb(Abramov) 0.3808884E-02 Vb(Abramov) -0.2564708E-02 Hb(Abramov) 0.1244176E-02 Ex_ueg -0.6558917E-03 Ec_ueg -0.1531325E-03 Delta_ex -0.7012048E-03 Delta_ec 0.8428521E-04 Delta_et -0.6841934E-03 Pxc 0.4283165E+01 Qxc -0.8319429E+01 3,+3 69 3 +3 -1.126549 1.091328 -1.087960 Rho 0.5406665E-02 |GRAD(Rho)| 0.6810190E-17 GRAD(Rho)x -0.5670431E-18 GRAD(Rho)y -0.3827409E-17 GRAD(Rho)z -0.5604292E-17 Laplacian 0.2151922E-01 (-1/4)Del**2(Rho)) -0.5379804E-02 Diamond 0.1650475E-03 Metallicity 0.5333379E+00 Ellipticity -0.1847989E+00 Gb(Abramov) 0.4064745E-02 Vb(Abramov) -0.2749686E-02 Hb(Abramov) 0.1315059E-02 Ex_ueg -0.7008488E-03 Ec_ueg -0.1644550E-03 Delta_ex -0.7579650E-03 Delta_ec 0.9145749E-04 Delta_et -0.7432412E-03 Pxc 0.4261644E+01 Qxc -0.8287621E+01 3,+3 70 3 +1 -1.746083 1.680450 -1.743278 Rho 0.1202941E-01 |GRAD(Rho)| 0.4139837E-16 GRAD(Rho)x -0.3516362E-16 GRAD(Rho)y -0.8433396E-17 GRAD(Rho)z 0.2015497E-16 Laplacian 0.5992105E-01 (-1/4)Del**2(Rho)) -0.1498026E-01 Diamond 0.2391958E-02 Metallicity 0.7262855E+00 Ellipticity -0.1247431E+01 Gb(Abramov) 0.1180017E-01 Vb(Abramov) -0.8620069E-02 Hb(Abramov) 0.3180096E-02 Ex_ueg -0.2035685E-02 Ec_ueg -0.4609266E-03 Delta_ex -0.2942343E-02 Delta_ec 0.7689495E-03 Delta_et -0.5776065E-02 Pxc 0.4416506E+01 Qxc -0.3826445E+01 3,+1 71 3 +1 -0.547748 1.636689 -0.496421 Rho 0.9277498E-02 |GRAD(Rho)| 0.1309892E-15 GRAD(Rho)x 0.4570562E-16 GRAD(Rho)y -0.1003878E-15 GRAD(Rho)z 0.7065017E-16 Laplacian 0.3689643E-01 (-1/4)Del**2(Rho)) -0.9224107E-02 Diamond 0.1049003E-02 Metallicity 0.7650332E+00 Ellipticity -0.1409077E+01 Gb(Abramov) 0.7325530E-02 Vb(Abramov) -0.5426952E-02 Hb(Abramov) 0.1898578E-02 Ex_ueg -0.1439769E-02 Ec_ueg -0.3353942E-03 Delta_ex -0.1699639E-02 Delta_ec 0.4857766E-03 Delta_et -0.3411949E-02 Pxc 0.4292767E+01 Qxc -0.3498808E+01 3,+1 72 3 +1 -1.255702 1.214640 2.206350 Rho 0.2929188E-01 |GRAD(Rho)| 0.6765414E-16 GRAD(Rho)x -0.1185813E-16 GRAD(Rho)y -0.1056438E-16 GRAD(Rho)z -0.6576368E-16 Laplacian 0.1133827E+00 (-1/4)Del**2(Rho)) -0.2834567E-01 Diamond 0.1781301E-01 Metallicity 0.1691655E+01 Ellipticity -0.4222718E+01 Gb(Abramov) 0.2688896E-01 Vb(Abramov) -0.2543225E-01 Hb(Abramov) 0.1456709E-02 Ex_ueg -0.6668804E-02 Ec_ueg -0.1307139E-02 Delta_ex -0.7302537E-02 Delta_ec 0.1824680E-02 Delta_et -0.1674539E-01 Pxc 0.5101831E+01 Qxc -0.4002092E+01 3,+1 73 3 -1 -0.543438 1.721580 -2.751090 Rho 0.1347997E+00 |GRAD(Rho)| 0.8077146E-12 GRAD(Rho)x 0.5131227E-12 GRAD(Rho)y 0.6102126E-12 GRAD(Rho)z 0.1294164E-12 Laplacian 0.5698648E+00 (-1/4)Del**2(Rho)) -0.1424662E+00 Diamond 0.1023127E+01 Metallicity 0.4285380E+01 Ellipticity 0.1049903E-01 Gb(Abramov) 0.1967311E+00 Vb(Abramov) -0.2509960E+00 Hb(Abramov) -0.5426489E-01 Ex_ueg -0.5104698E-01 Ec_ueg -0.7477693E-02 Delta_ex -0.5970786E-01 Delta_ec 0.1499350E-01 Delta_et -0.1967597E+00 Pxc 0.6826569E+01 Qxc -0.3982249E+01 3,-1 74 3 +1 0.153667 2.881835 -0.181695 Rho 0.5835209E-02 |GRAD(Rho)| 0.5268850E-15 GRAD(Rho)x 0.3505331E-15 GRAD(Rho)y 0.5005449E-17 GRAD(Rho)z -0.3933310E-15 Laplacian 0.2424957E-01 (-1/4)Del**2(Rho)) -0.6062392E-02 Diamond 0.6693557E-03 Metallicity 0.5374481E+00 Ellipticity -0.3022348E+01 Gb(Abramov) 0.4584632E-02 Vb(Abramov) -0.3106871E-02 Hb(Abramov) 0.1477761E-02 Ex_ueg -0.7758783E-03 Ec_ueg -0.1830304E-03 Delta_ex -0.1222368E-02 Delta_ec 0.7275337E-03 Delta_et -0.4152710E-02 Pxc 0.4239067E+01 Qxc -0.1680154E+01 3,+1 75 3 -1 2.012245 0.827002 -2.995191 Rho 0.1465879E+00 |GRAD(Rho)| 0.4201930E-15 GRAD(Rho)x 0.6554002E-16 GRAD(Rho)y 0.3966147E-15 GRAD(Rho)z -0.1223251E-15 Laplacian 0.5777878E+00 (-1/4)Del**2(Rho)) -0.1444469E+00 Diamond 0.1149248E+01 Metallicity 0.4860431E+01 Ellipticity 0.3857641E-01 Gb(Abramov) 0.2133104E+00 Vb(Abramov) -0.2821738E+00 Hb(Abramov) -0.6886343E-01 Ex_ueg -0.5708418E-01 Ec_ueg -0.8225447E-02 Delta_ex -0.6180510E-01 Delta_ec 0.1493207E-01 Delta_et -0.1985515E+00 Pxc 0.6939948E+01 Qxc -0.4139085E+01 3,-1 76 3 +1 -0.205209 2.890493 0.173658 Rho 0.5784269E-02 |GRAD(Rho)| 0.7995525E-14 GRAD(Rho)x -0.5731465E-14 GRAD(Rho)y 0.4496851E-15 GRAD(Rho)z 0.5556664E-14 Laplacian 0.2420515E-01 (-1/4)Del**2(Rho)) -0.6051286E-02 Diamond 0.6277924E-03 Metallicity 0.5306232E+00 Ellipticity -0.2298080E+01 Gb(Abramov) 0.4569350E-02 Vb(Abramov) -0.3087413E-02 Hb(Abramov) 0.1481937E-02 Ex_ueg -0.7668604E-03 Ec_ueg -0.1808176E-03 Delta_ex -0.1193137E-02 Delta_ec 0.6818371E-03 Delta_et -0.3900198E-02 Pxc 0.4241071E+01 Qxc -0.1749886E+01 3,+1 77 3 +1 -1.232594 2.175335 1.234690 Rho 0.2980018E-01 |GRAD(Rho)| 0.6541567E-16 GRAD(Rho)x 0.6382737E-17 GRAD(Rho)y -0.6086165E-16 GRAD(Rho)z -0.2311558E-16 Laplacian 0.1166740E+00 (-1/4)Del**2(Rho)) -0.2916849E-01 Diamond 0.1901365E-01 Metallicity 0.1691755E+01 Ellipticity -0.4519314E+01 Gb(Abramov) 0.2766998E-01 Vb(Abramov) -0.2617147E-01 Hb(Abramov) 0.1498507E-02 Ex_ueg -0.6823549E-02 Ec_ueg -0.1333305E-02 Delta_ex -0.7570653E-02 Delta_ec 0.1914958E-02 Delta_et -0.1764049E-01 Pxc 0.5117770E+01 Qxc -0.3953431E+01 3,+1 78 3 +1 1.719019 1.754772 1.730643 Rho 0.1229859E-01 |GRAD(Rho)| 0.8122454E-17 GRAD(Rho)x 0.1490096E-17 GRAD(Rho)y -0.7429552E-17 GRAD(Rho)z 0.2925001E-17 Laplacian 0.6160628E-01 (-1/4)Del**2(Rho)) -0.1540157E-01 Diamond 0.2535600E-02 Metallicity 0.7329597E+00 Ellipticity -0.1256434E+01 Gb(Abramov) 0.1214917E-01 Vb(Abramov) -0.8896767E-02 Hb(Abramov) 0.3252402E-02 Ex_ueg -0.2096647E-02 Ec_ueg -0.4733703E-03 Delta_ex -0.3043009E-02 Delta_ec 0.7908542E-03 Delta_et -0.5972470E-02 Pxc 0.4429190E+01 Qxc -0.3847750E+01 3,+1 79 3 -1 -0.867655 1.999676 2.999542 Rho 0.1400849E+00 |GRAD(Rho)| 0.3325129E-09 GRAD(Rho)x 0.2437173E-09 GRAD(Rho)y 0.1662485E-09 GRAD(Rho)z -0.1533888E-09 Laplacian 0.5528060E+00 (-1/4)Del**2(Rho)) -0.1382015E+00 Diamond 0.1039624E+01 Metallicity 0.4710054E+01 Ellipticity 0.3877114E-01 Gb(Abramov) 0.2006238E+00 Vb(Abramov) -0.2630460E+00 Hb(Abramov) -0.6242225E-01 Ex_ueg -0.5373288E-01 Ec_ueg -0.7811857E-02 Delta_ex -0.5846511E-01 Delta_ec 0.1441409E-01 Delta_et -0.1903014E+00 Pxc 0.6878375E+01 Qxc -0.4056108E+01 3,-1 80 3 +1 0.499756 1.675527 0.495527 Rho 0.8699659E-02 |GRAD(Rho)| 0.9762031E-15 GRAD(Rho)x 0.6161187E-15 GRAD(Rho)y 0.7446576E-15 GRAD(Rho)z 0.1373144E-15 Laplacian 0.3483952E-01 (-1/4)Del**2(Rho)) -0.8709880E-02 Diamond 0.9136344E-03 Metallicity 0.7278548E+00 Ellipticity -0.1385271E+01 Gb(Abramov) 0.6863175E-02 Vb(Abramov) -0.5016469E-02 Hb(Abramov) 0.1846705E-02 Ex_ueg -0.1321462E-02 Ec_ueg -0.3094414E-03 Delta_ex -0.1581404E-02 Delta_ec 0.4637311E-03 Delta_et -0.3200449E-02 Pxc 0.4270477E+01 Qxc -0.3410175E+01 3,+1 81 3 -1 0.343476 0.367178 -0.403140 Rho 0.1370482E+00 |GRAD(Rho)| 0.1977814E-13 GRAD(Rho)x -0.1466085E-13 GRAD(Rho)y -0.1222684E-13 GRAD(Rho)z 0.5170975E-14 Laplacian 0.7187279E+00 (-1/4)Del**2(Rho)) -0.1796820E+00 Diamond 0.1581396E+01 Metallicity 0.3492778E+01 Ellipticity 0.4495440E-02 Gb(Abramov) 0.2243862E+00 Vb(Abramov) -0.2690904E+00 Hb(Abramov) -0.4470423E-01 Ex_ueg -0.5218547E-01 Ec_ueg -0.7619642E-02 Delta_ex -0.7858581E-01 Delta_ec 0.2415313E-01 Delta_et -0.3284158E+00 Pxc 0.6848809E+01 Qxc -0.3253649E+01 3,-1 82 3 -1 1.690037 -0.569307 1.684103 Rho 0.4848959E-01 |GRAD(Rho)| 0.3053486E-16 GRAD(Rho)x 0.1903325E-16 GRAD(Rho)y -0.2387108E-16 GRAD(Rho)z 0.5332072E-18 Laplacian 0.1849395E+00 (-1/4)Del**2(Rho)) -0.4623487E-01 Diamond 0.8717693E-01 Metallicity 0.2402505E+01 Ellipticity 0.1519846E-01 Gb(Abramov) 0.4933650E-01 Vb(Abramov) -0.5243813E-01 Hb(Abramov) -0.3101630E-02 Ex_ueg -0.1305919E-01 Ec_ueg -0.2331556E-02 Delta_ex -0.1498259E-01 Delta_ec 0.5291677E-02 Delta_et -0.5529657E-01 Pxc 0.5601065E+01 Qxc -0.2831350E+01 3,-1 83 3 +1 0.520759 0.470017 1.667687 Rho 0.8877454E-02 |GRAD(Rho)| 0.7059192E-14 GRAD(Rho)x -0.1482997E-14 GRAD(Rho)y -0.4831826E-14 GRAD(Rho)z -0.4928120E-14 Laplacian 0.3576424E-01 (-1/4)Del**2(Rho)) -0.8941059E-02 Diamond 0.9725917E-03 Metallicity 0.7333506E+00 Ellipticity -0.1395655E+01 Gb(Abramov) 0.7053528E-02 Vb(Abramov) -0.5165997E-02 Hb(Abramov) 0.1887531E-02 Ex_ueg -0.1357593E-02 Ec_ueg -0.3174112E-03 Delta_ex -0.1635461E-02 Delta_ec 0.4825621E-03 Delta_et -0.3341950E-02 Pxc 0.4277080E+01 Qxc -0.3389121E+01 3,+1 84 3 +1 -0.512808 -0.544018 1.698060 Rho 0.8511861E-02 |GRAD(Rho)| 0.6265712E-17 GRAD(Rho)x -0.5381580E-17 GRAD(Rho)y 0.1928636E-17 GRAD(Rho)z 0.2564782E-17 Laplacian 0.3360510E-01 (-1/4)Del**2(Rho)) -0.8401275E-02 Diamond 0.8698682E-03 Metallicity 0.7276382E+00 Ellipticity -0.1408181E+01 Gb(Abramov) 0.6619698E-02 Vb(Abramov) -0.4838121E-02 Hb(Abramov) 0.1781577E-02 Ex_ueg -0.1283565E-02 Ec_ueg -0.3010383E-03 Delta_ex -0.1523491E-02 Delta_ec 0.4590863E-03 Delta_et -0.3140772E-02 Pxc 0.4263792E+01 Qxc -0.3318528E+01 3,+1 85 3 +3 0.894811 -1.125535 -1.225422 Rho 0.4327050E-02 |GRAD(Rho)| 0.1966984E-16 GRAD(Rho)x 0.1416917E-16 GRAD(Rho)y 0.1788934E-17 GRAD(Rho)z -0.1352542E-16 Laplacian 0.1672963E-01 (-1/4)Del**2(Rho)) -0.4182408E-02 Diamond 0.1275417E-03 Metallicity 0.4732747E+00 Ellipticity -0.5691007E+00 Gb(Abramov) 0.3118177E-02 Vb(Abramov) -0.2053945E-02 Hb(Abramov) 0.1064231E-02 Ex_ueg -0.5207640E-03 Ec_ueg -0.1180690E-03 Delta_ex -0.5910321E-03 Delta_ec 0.1373673E-03 Delta_et -0.8738357E-03 Pxc 0.4410676E+01 Qxc -0.4302569E+01 3,+3 86 3 +3 -0.270986 -0.580277 -2.642944 Rho 0.3440327E-02 |GRAD(Rho)| 0.9875592E-17 GRAD(Rho)x -0.8409872E-17 GRAD(Rho)y -0.3089235E-17 GRAD(Rho)z -0.4154273E-17 Laplacian 0.1372544E-01 (-1/4)Del**2(Rho)) -0.3431359E-02 Diamond 0.1179997E-03 Metallicity 0.3936284E+00 Ellipticity -0.6427897E+00 Gb(Abramov) 0.2512686E-02 Vb(Abramov) -0.1594013E-02 Hb(Abramov) 0.9186731E-03 Ex_ueg -0.3835759E-03 Ec_ueg -0.8042380E-04 Delta_ex -0.5204467E-03 Delta_ec 0.2254747E-03 Delta_et -0.1179651E-02 Pxc 0.4769432E+01 Qxc -0.2308227E+01 3,+3 87 3 +1 0.393405 -0.787628 -1.754260 Rho 0.5497507E-02 |GRAD(Rho)| 0.8734496E-17 GRAD(Rho)x 0.4702727E-17 GRAD(Rho)y -0.1673737E-17 GRAD(Rho)z -0.7167593E-17 Laplacian 0.2152268E-01 (-1/4)Del**2(Rho)) -0.5380670E-02 Diamond 0.4564846E-03 Metallicity 0.5482683E+00 Ellipticity -0.1825565E+01 Gb(Abramov) 0.4078788E-02 Vb(Abramov) -0.2776907E-02 Hb(Abramov) 0.1301882E-02 Ex_ueg -0.7165933E-03 Ec_ueg -0.1683850E-03 Delta_ex -0.9969511E-03 Delta_ec 0.5116153E-03 Delta_et -0.2925090E-02 Pxc 0.4255684E+01 Qxc -0.1948634E+01 3,+1 88 3 +3 1.082171 1.075017 1.070879 Rho 0.4908710E-02 |GRAD(Rho)| 0.6768939E-17 GRAD(Rho)x 0.6621456E-17 GRAD(Rho)y 0.2997459E-18 GRAD(Rho)z -0.1372957E-17 Laplacian 0.1946872E-01 (-1/4)Del**2(Rho)) -0.4867179E-02 Diamond 0.1335445E-03 Metallicity 0.5018279E+00 Ellipticity -0.1326712E+00 Gb(Abramov) 0.3651867E-02 Vb(Abramov) -0.2436555E-02 Hb(Abramov) 0.1215312E-02 Ex_ueg -0.6161335E-03 Ec_ueg -0.1429863E-03 Delta_ex -0.6701295E-03 Delta_ec 0.8742028E-04 Delta_et -0.6850824E-03 Pxc 0.4309038E+01 Qxc -0.7665608E+01 3,+3 89 3 +1 1.315092 1.091797 -2.166452 Rho 0.2861913E-01 |GRAD(Rho)| 0.3962386E-16 GRAD(Rho)x 0.2870756E-16 GRAD(Rho)y 0.1017718E-16 GRAD(Rho)z -0.2534465E-16 Laplacian 0.1109006E+00 (-1/4)Del**2(Rho)) -0.2772515E-01 Diamond 0.1680228E-01 Metallicity 0.1663821E+01 Ellipticity -0.3913285E+01 Gb(Abramov) 0.2617171E-01 Vb(Abramov) -0.2461828E-01 Hb(Abramov) 0.1553435E-02 Ex_ueg -0.6465373E-02 Ec_ueg -0.1272603E-02 Delta_ex -0.7091290E-02 Delta_ec 0.1773225E-02 Delta_et -0.1618680E-01 Pxc 0.5080434E+01 Qxc -0.3999091E+01 3,+1 90 3 -1 1.689489 1.682484 -0.524002 Rho 0.4658235E-01 |GRAD(Rho)| 0.6136866E-16 GRAD(Rho)x 0.3361069E-16 GRAD(Rho)y 0.5020830E-16 GRAD(Rho)z 0.1074991E-16 Laplacian 0.1749773E+00 (-1/4)Del**2(Rho)) -0.4374432E-01 Diamond 0.7768737E-01 Metallicity 0.2375020E+01 Ellipticity 0.7990586E-02 Gb(Abramov) 0.4647848E-01 Vb(Abramov) -0.4921265E-01 Hb(Abramov) -0.2734164E-02 Ex_ueg -0.1237885E-01 Ec_ueg -0.2226848E-02 Delta_ex -0.1401286E-01 Delta_ec 0.4973321E-02 Delta_et -0.5142188E-01 Pxc 0.5558910E+01 Qxc -0.2817606E+01 3,-1 91 3 +1 1.679254 -0.517648 -0.538868 Rho 0.8601288E-02 |GRAD(Rho)| 0.1383990E-16 GRAD(Rho)x -0.4806065E-17 GRAD(Rho)y 0.1266992E-16 GRAD(Rho)z -0.2813843E-17 Laplacian 0.3440604E-01 (-1/4)Del**2(Rho)) -0.8601510E-02 Diamond 0.8838783E-03 Metallicity 0.7231876E+00 Ellipticity -0.1376769E+01 Gb(Abramov) 0.6771091E-02 Vb(Abramov) -0.4940672E-02 Hb(Abramov) 0.1830419E-02 Ex_ueg -0.1301576E-02 Ec_ueg -0.3050377E-03 Delta_ex -0.1555167E-02 Delta_ec 0.4543416E-03 Delta_et -0.3129740E-02 Pxc 0.4266936E+01 Qxc -0.3422902E+01 3,+1 92 3 +1 1.306017 2.136019 -1.126555 Rho 0.2863550E-01 |GRAD(Rho)| 0.2411949E-16 GRAD(Rho)x 0.1002154E-16 GRAD(Rho)y -0.2190084E-16 GRAD(Rho)z -0.1293064E-17 Laplacian 0.1088178E+00 (-1/4)Del**2(Rho)) -0.2720444E-01 Diamond 0.1579644E-01 Metallicity 0.1697284E+01 Ellipticity -0.3377005E+01 Gb(Abramov) 0.2583191E-01 Vb(Abramov) -0.2445938E-01 Hb(Abramov) 0.1372535E-02 Ex_ueg -0.6470305E-02 Ec_ueg -0.1273442E-02 Delta_ex -0.6895456E-02 Delta_ec 0.1626131E-02 Delta_et -0.1486157E-01 Pxc 0.5080959E+01 Qxc -0.4240406E+01 3,+1 93 3 -1 0.871169 1.925111 -2.971717 Rho 0.1353285E+00 |GRAD(Rho)| 0.1484530E-15 GRAD(Rho)x 0.2154852E-17 GRAD(Rho)y 0.4594307E-17 GRAD(Rho)z 0.1483663E-15 Laplacian 0.5343032E+00 (-1/4)Del**2(Rho)) -0.1335758E+00 Diamond 0.9627556E+00 Metallicity 0.4600524E+01 Ellipticity 0.3651035E-01 Gb(Abramov) 0.1914703E+00 Vb(Abramov) -0.2493648E+00 Hb(Abramov) -0.5789451E-01 Ex_ueg -0.5131416E-01 Ec_ueg -0.7511047E-02 Delta_ex -0.5602294E-01 Delta_ec 0.1402326E-01 Delta_et -0.1840997E+00 Pxc 0.6831826E+01 Qxc -0.3995000E+01 3,-1 94 3 -1 1.936562 -3.004831 0.831749 Rho 0.1282599E+00 |GRAD(Rho)| 0.2444021E-12 GRAD(Rho)x 0.1181144E-12 GRAD(Rho)y 0.9319351E-13 GRAD(Rho)z -0.1926041E-12 Laplacian 0.5007691E+00 (-1/4)Del**2(Rho)) -0.1251923E+00 Diamond 0.8550197E+00 Metallicity 0.4488766E+01 Ellipticity 0.2509286E-01 Gb(Abramov) 0.1771213E+00 Vb(Abramov) -0.2290503E+00 Hb(Abramov) -0.5192904E-01 Ex_ueg -0.4777193E-01 Ec_ueg -0.7066724E-02 Delta_ex -0.5194278E-01 Delta_ec 0.1351014E-01 Delta_et -0.1761854E+00 Pxc 0.6760123E+01 Qxc -0.3844724E+01 3,-1 95 3 +1 -0.159829 -2.151031 -1.063941 Rho 0.7472458E-02 |GRAD(Rho)| 0.2058494E-14 GRAD(Rho)x -0.9358427E-15 GRAD(Rho)y -0.1803279E-14 GRAD(Rho)z -0.3313322E-15 Laplacian 0.2931673E-01 (-1/4)Del**2(Rho)) -0.7329182E-02 Diamond 0.9957186E-03 Metallicity 0.6713311E+00 Ellipticity -0.2543815E+01 Gb(Abramov) 0.5706173E-02 Vb(Abramov) -0.4083163E-02 Hb(Abramov) 0.1623009E-02 Ex_ueg -0.1078954E-02 Ec_ueg -0.2548168E-03 Delta_ex -0.1481797E-02 Delta_ec 0.7499910E-03 Delta_et -0.4658461E-02 Pxc 0.4234236E+01 Qxc -0.1975753E+01 3,+1 96 3 +1 2.931173 -0.164600 0.193090 Rho 0.5539708E-02 |GRAD(Rho)| 0.6766902E-17 GRAD(Rho)x 0.2271769E-18 GRAD(Rho)y 0.4924200E-17 GRAD(Rho)z 0.4635904E-17 Laplacian 0.2298675E-01 (-1/4)Del**2(Rho)) -0.5746688E-02 Diamond 0.5828421E-03 Metallicity 0.5199325E+00 Ellipticity -0.2536068E+01 Gb(Abramov) 0.4329107E-02 Vb(Abramov) -0.2911526E-02 Hb(Abramov) 0.1417581E-02 Ex_ueg -0.7239371E-03 Ec_ueg -0.1702121E-03 Delta_ex -0.1139613E-02 Delta_ec 0.6769316E-03 Delta_et -0.3809835E-02 Pxc 0.4253148E+01 Qxc -0.1683498E+01 3,+1 97 3 +1 1.857591 -1.766275 -1.724186 Rho 0.1441854E-01 |GRAD(Rho)| 0.2036410E-16 GRAD(Rho)x -0.7860466E-17 GRAD(Rho)y -0.6247715E-17 GRAD(Rho)z -0.1771654E-16 Laplacian 0.6808222E-01 (-1/4)Del**2(Rho)) -0.1702056E-01 Diamond 0.3503538E-02 Metallicity 0.8645326E+00 Ellipticity -0.1387931E+01 Gb(Abramov) 0.1379951E-01 Vb(Abramov) -0.1057846E-01 Hb(Abramov) 0.3221048E-02 Ex_ueg -0.2591870E-02 Ec_ueg -0.5723373E-03 Delta_ex -0.3512245E-02 Delta_ec 0.8809144E-03 Delta_et -0.6907795E-02 Pxc 0.4528572E+01 Qxc -0.3987044E+01 3,+1 98 3 +1 2.145670 -1.344703 1.102330 Rho 0.2797855E-01 |GRAD(Rho)| 0.2735474E-16 GRAD(Rho)x -0.2964167E-18 GRAD(Rho)y -0.9966461E-17 GRAD(Rho)z -0.2547280E-16 Laplacian 0.1076894E+00 (-1/4)Del**2(Rho)) -0.2692234E-01 Diamond 0.1551814E-01 Metallicity 0.1649994E+01 Ellipticity -0.3463785E+01 Gb(Abramov) 0.2535184E-01 Vb(Abramov) -0.2378134E-01 Hb(Abramov) 0.1570498E-02 Ex_ueg -0.6273144E-02 Ec_ueg -0.1239818E-02 Delta_ex -0.6816103E-02 Delta_ec 0.1672500E-02 Delta_et -0.1519449E-01 Pxc 0.5059731E+01 Qxc -0.4075399E+01 3,+1 99 3 +1 0.180401 -0.193614 2.943139 Rho 0.5654352E-02 |GRAD(Rho)| 0.6800220E-17 GRAD(Rho)x 0.5177747E-17 GRAD(Rho)y 0.4165277E-17 GRAD(Rho)z 0.1443742E-17 Laplacian 0.2366562E-01 (-1/4)Del**2(Rho)) -0.5916405E-02 Diamond 0.5756582E-03 Metallicity 0.5225566E+00 Ellipticity -0.2002970E+01 Gb(Abramov) 0.4459546E-02 Vb(Abramov) -0.3002687E-02 Hb(Abramov) 0.1456859E-02 Ex_ueg -0.7439815E-03 Ec_ueg -0.1751800E-03 Delta_ex -0.1145656E-02 Delta_ec 0.6389910E-03 Delta_et -0.3642936E-02 Pxc 0.4246955E+01 Qxc -0.1792914E+01 3,+1 100 3 -1 2.938844 0.037701 -0.006283 Rho 0.5597835E-02 |GRAD(Rho)| 0.2609290E-17 GRAD(Rho)x -0.6209546E-18 GRAD(Rho)y -0.2231191E-17 GRAD(Rho)z -0.1201913E-17 Laplacian 0.2274594E-01 (-1/4)Del**2(Rho)) -0.5686485E-02 Diamond 0.7117937E-03 Metallicity 0.5346580E+00 Ellipticity 0.3697224E+01 Gb(Abramov) 0.4297711E-02 Vb(Abramov) -0.2908936E-02 Hb(Abramov) 0.1388774E-02 Ex_ueg -0.7340829E-03 Ec_ueg -0.1727301E-03 Delta_ex -0.1231398E-02 Delta_ec 0.8508092E-03 Delta_et -0.4726194E-02 Pxc 0.4249885E+01 Qxc -0.1447325E+01 3,-1 101 3 -1 3.265174 -0.022944 -3.175863 Rho 0.2438606E+00 |GRAD(Rho)| 0.5600986E-14 GRAD(Rho)x -0.4796510E-14 GRAD(Rho)y -0.2852644E-14 GRAD(Rho)z 0.4763984E-15 Laplacian 0.8941250E+00 (-1/4)Del**2(Rho)) -0.2235313E+00 Diamond 0.3210922E+01 Metallicity 0.7335860E+01 Ellipticity 0.3223562E-02 Gb(Abramov) 0.4223198E+00 Vb(Abramov) -0.6211084E+00 Hb(Abramov) -0.1987886E+00 Ex_ueg -0.1125228E+00 Ec_ueg -0.1470639E-01 Delta_ex -0.1084140E+00 Delta_ec 0.1954047E-01 Delta_et -0.2702759E+00 Pxc 0.7651285E+01 Qxc -0.5548179E+01 3,-1 102 3 +1 -2.295705 -1.147581 -1.240778 Rho 0.3207410E-01 |GRAD(Rho)| 0.2868561E-16 GRAD(Rho)x 0.2606757E-16 GRAD(Rho)y -0.1356202E-17 GRAD(Rho)z 0.1189566E-16 Laplacian 0.1266172E+00 (-1/4)Del**2(Rho)) -0.3165430E-01 Diamond 0.2146809E-01 Metallicity 0.1762157E+01 Ellipticity -0.3517522E+01 Gb(Abramov) 0.3039951E-01 Vb(Abramov) -0.2914471E-01 Hb(Abramov) 0.1254794E-02 Ex_ueg -0.7526464E-02 Ec_ueg -0.1451080E-02 Delta_ex -0.8275100E-02 Delta_ec 0.1887700E-02 Delta_et -0.1769427E-01 Pxc 0.5186803E+01 Qxc -0.4383695E+01 3,+1 103 3 -1 -1.988735 2.975874 0.870883 Rho 0.1454897E+00 |GRAD(Rho)| 0.2970411E-15 GRAD(Rho)x -0.1881091E-16 GRAD(Rho)y 0.1589847E-15 GRAD(Rho)z -0.2502068E-15 Laplacian 0.5745908E+00 (-1/4)Del**2(Rho)) -0.1436477E+00 Diamond 0.1127699E+01 Metallicity 0.4826602E+01 Ellipticity 0.4385581E-01 Gb(Abramov) 0.2113202E+00 Vb(Abramov) -0.2789927E+00 Hb(Abramov) -0.6767248E-01 Ex_ueg -0.5651469E-01 Ec_ueg -0.8155417E-02 Delta_ex -0.6129934E-01 Delta_ec 0.1478582E-01 Delta_et -0.1961918E+00 Pxc 0.6929712E+01 Qxc -0.4145819E+01 3,-1 104 3 -1 -0.858458 2.984471 1.969924 Rho 0.1354361E+00 |GRAD(Rho)| 0.1895722E-13 GRAD(Rho)x -0.8806391E-14 GRAD(Rho)y -0.7094802E-14 GRAD(Rho)z -0.1521472E-13 Laplacian 0.5323960E+00 (-1/4)Del**2(Rho)) -0.1330990E+00 Diamond 0.9609903E+00 Metallicity 0.4623129E+01 Ellipticity 0.3213979E-01 Gb(Abramov) 0.1912883E+00 Vb(Abramov) -0.2494776E+00 Hb(Abramov) -0.5818931E-01 Ex_ueg -0.5136861E-01 Ec_ueg -0.7517841E-02 Delta_ex -0.5584231E-01 Delta_ec 0.1398590E-01 Delta_et -0.1836625E+00 Pxc 0.6832895E+01 Qxc -0.3992757E+01 3,-1 105 3 +3 -0.014555 2.290496 0.005326 Rho 0.4985725E-02 |GRAD(Rho)| 0.1105155E-16 GRAD(Rho)x 0.5968506E-17 GRAD(Rho)y 0.1996879E-17 GRAD(Rho)z 0.9084393E-17 Laplacian 0.2074260E-01 (-1/4)Del**2(Rho)) -0.5185651E-02 Diamond 0.1962374E-03 Metallicity 0.4833894E+00 Ellipticity -0.2466333E+00 Gb(Abramov) 0.3874882E-02 Vb(Abramov) -0.2564113E-02 Hb(Abramov) 0.1310769E-02 Ex_ueg -0.6290563E-03 Ec_ueg -0.1462986E-03 Delta_ex -0.7644981E-03 Delta_ec 0.1778301E-03 Delta_et -0.1157178E-02 Pxc 0.4299812E+01 Qxc -0.4299037E+01 3,+3 106 3 +3 2.306720 0.006624 0.004747 Rho 0.4672674E-02 |GRAD(Rho)| 0.5187836E-17 GRAD(Rho)x -0.2688403E-17 GRAD(Rho)y 0.3587145E-17 GRAD(Rho)z 0.2611231E-17 Laplacian 0.1941306E-01 (-1/4)Del**2(Rho)) -0.4853264E-02 Diamond 0.1686169E-03 Metallicity 0.4635840E+00 Ellipticity -0.2526628E+00 Gb(Abramov) 0.3610492E-02 Vb(Abramov) -0.2367720E-02 Hb(Abramov) 0.1242772E-02 Ex_ueg -0.5769512E-03 Ec_ueg -0.1328539E-03 Delta_ex -0.7040295E-03 Delta_ec 0.1672583E-03 Delta_et -0.1070822E-02 Pxc 0.4342748E+01 Qxc -0.4209234E+01 3,+3 107 3 -1 1.719816 0.506624 -1.721492 Rho 0.4435716E-01 |GRAD(Rho)| 0.9608047E-16 GRAD(Rho)x -0.6969980E-16 GRAD(Rho)y 0.5671288E-16 GRAD(Rho)z 0.3401536E-16 Laplacian 0.1665332E+00 (-1/4)Del**2(Rho)) -0.4163330E-01 Diamond 0.6905265E-01 Metallicity 0.2299951E+01 Ellipticity 0.1392523E-01 Gb(Abramov) 0.4371463E-01 Vb(Abramov) -0.4579595E-01 Hb(Abramov) -0.2081327E-02 Ex_ueg -0.1159676E-01 Ec_ueg -0.2105418E-02 Delta_ex -0.1316663E-01 Delta_ec 0.4724016E-02 Delta_et -0.4822081E-01 Pxc 0.5508056E+01 Qxc -0.2787169E+01 3,-1 108 3 +1 1.662098 0.505975 0.513276 Rho 0.8391642E-02 |GRAD(Rho)| 0.7916355E-17 GRAD(Rho)x 0.7214835E-17 GRAD(Rho)y -0.1083739E-18 GRAD(Rho)z -0.3256238E-17 Laplacian 0.3340026E-01 (-1/4)Del**2(Rho)) -0.8350065E-02 Diamond 0.8446468E-03 Metallicity 0.7149488E+00 Ellipticity -0.1390963E+01 Gb(Abramov) 0.6561688E-02 Vb(Abramov) -0.4773311E-02 Hb(Abramov) 0.1788377E-02 Ex_ueg -0.1259450E-02 Ec_ueg -0.2956673E-03 Delta_ex -0.1507198E-02 Delta_ec 0.4535306E-03 Delta_et -0.3093835E-02 Pxc 0.4259687E+01 Qxc -0.3323256E+01 3,+1 109 3 -1 0.515976 1.661294 -1.693853 Rho 0.5803511E-01 |GRAD(Rho)| 0.9042886E-15 GRAD(Rho)x 0.2548167E-15 GRAD(Rho)y -0.6432749E-15 GRAD(Rho)z 0.5822403E-15 Laplacian 0.2238455E+00 (-1/4)Del**2(Rho)) -0.5596139E-01 Diamond 0.1354421E+00 Metallicity 0.2678034E+01 Ellipticity 0.8263252E-02 Gb(Abramov) 0.6228534E-01 Vb(Abramov) -0.6860929E-01 Hb(Abramov) -0.6323954E-02 Ex_ueg -0.1659483E-01 Ec_ueg -0.2863615E-02 Delta_ex -0.1900949E-01 Delta_ec 0.6440408E-02 Delta_et -0.7048011E-01 Pxc 0.5795064E+01 Qxc -0.2951596E+01 3,-1 110 3 -1 0.548301 1.784393 2.751619 Rho 0.1573441E+00 |GRAD(Rho)| 0.5142886E-14 GRAD(Rho)x -0.3274751E-14 GRAD(Rho)y 0.3904808E-14 GRAD(Rho)z -0.6911924E-15 Laplacian 0.6617842E+00 (-1/4)Del**2(Rho)) -0.1654460E+00 Diamond 0.1418846E+01 Metallicity 0.4775083E+01 Ellipticity 0.1685367E-01 Gb(Abramov) 0.2419671E+00 Vb(Abramov) -0.3184882E+00 Hb(Abramov) -0.7652109E-01 Ex_ueg -0.6273632E-01 Ec_ueg -0.8915289E-02 Delta_ex -0.7189798E-01 Delta_ec 0.1656628E-01 Delta_et -0.2218949E+00 Pxc 0.7036937E+01 Qxc -0.4340020E+01 3,-1 111 3 +1 -2.175557 1.182330 1.305683 Rho 0.2872904E-01 |GRAD(Rho)| 0.5914914E-16 GRAD(Rho)x 0.5708569E-16 GRAD(Rho)y -0.1503411E-16 GRAD(Rho)z -0.3717697E-17 Laplacian 0.1103188E+00 (-1/4)Del**2(Rho)) -0.2757969E-01 Diamond 0.1680350E-01 Metallicity 0.1683316E+01 Ellipticity -0.4097857E+01 Gb(Abramov) 0.2612401E-01 Vb(Abramov) -0.2466834E-01 Hb(Abramov) 0.1455675E-02 Ex_ueg -0.6498501E-02 Ec_ueg -0.1278238E-02 Delta_ex -0.7061503E-02 Delta_ec 0.1764040E-02 Delta_et -0.1611733E-01 Pxc 0.5083953E+01 Qxc -0.4003028E+01 3,+1 112 3 -1 0.865628 2.946335 -1.970312 Rho 0.1490510E+00 |GRAD(Rho)| 0.3869182E-12 GRAD(Rho)x -0.2708063E-12 GRAD(Rho)y -0.2324331E-12 GRAD(Rho)z -0.1494808E-12 Laplacian 0.5886003E+00 (-1/4)Del**2(Rho)) -0.1471501E+00 Diamond 0.1190218E+01 Metallicity 0.4905509E+01 Ellipticity 0.4978926E-01 Gb(Abramov) 0.2184077E+00 Vb(Abramov) -0.2896654E+00 Hb(Abramov) -0.7125764E-01 Ex_ueg -0.5836666E-01 Ec_ueg -0.8382791E-02 Delta_ex -0.6317670E-01 Delta_ec 0.1507388E-01 Delta_et -0.2007509E+00 Pxc 0.6962676E+01 Qxc -0.4191137E+01 3,-1 113 3 +1 2.934988 0.155450 -0.125026 Rho 0.5583672E-02 |GRAD(Rho)| 0.2838452E-17 GRAD(Rho)x 0.1056912E-17 GRAD(Rho)y -0.6997816E-18 GRAD(Rho)z 0.2539696E-17 Laplacian 0.2321380E-01 (-1/4)Del**2(Rho)) -0.5803451E-02 Diamond 0.6364907E-03 Metallicity 0.5216751E+00 Ellipticity -0.3753346E+01 Gb(Abramov) 0.4373553E-02 Vb(Abramov) -0.2943655E-02 Hb(Abramov) 0.1429898E-02 Ex_ueg -0.7316077E-03 Ec_ueg -0.1721164E-03 Delta_ex -0.1186033E-02 Delta_ec 0.7431386E-03 Delta_et -0.4166923E-02 Pxc 0.4250656E+01 Qxc -0.1595978E+01 3,+1 114 3 -1 1.977129 2.960293 -0.857013 Rho 0.1350045E+00 |GRAD(Rho)| 0.1170850E-14 GRAD(Rho)x -0.9674472E-15 GRAD(Rho)y -0.3831570E-15 GRAD(Rho)z -0.5367749E-15 Laplacian 0.5326859E+00 (-1/4)Del**2(Rho)) -0.1331715E+00 Diamond 0.9586211E+00 Metallicity 0.4596093E+01 Ellipticity 0.2892900E-01 Gb(Abramov) 0.1907924E+00 Vb(Abramov) -0.2484133E+00 Hb(Abramov) -0.5762093E-01 Ex_ueg -0.5115042E-01 Ec_ueg -0.7490609E-02 Delta_ex -0.5583863E-01 Delta_ec 0.1402039E-01 Delta_et -0.1840538E+00 Pxc 0.6828607E+01 Qxc -0.3982673E+01 3,-1 115 3 -1 1.773913 2.764592 0.551215 Rho 0.1435693E+00 |GRAD(Rho)| 0.1605773E-15 GRAD(Rho)x -0.1109274E-15 GRAD(Rho)y 0.7712066E-16 GRAD(Rho)z -0.8679038E-16 Laplacian 0.6063359E+00 (-1/4)Del**2(Rho)) -0.1515840E+00 Diamond 0.1169763E+01 Metallicity 0.4473722E+01 Ellipticity 0.8907202E-02 Gb(Abramov) 0.2140801E+00 Vb(Abramov) -0.2765762E+00 Hb(Abramov) -0.6249611E-01 Ex_ueg -0.5552225E-01 Ec_ueg -0.8033134E-02 Delta_ex -0.6446166E-01 Delta_ec 0.1562726E-01 Delta_et -0.2068957E+00 Pxc 0.6911655E+01 Qxc -0.4124949E+01 3,-1 116 3 -1 3.015729 0.854919 -1.970331 Rho 0.1351091E+00 |GRAD(Rho)| 0.2493441E-15 GRAD(Rho)x 0.2053005E-15 GRAD(Rho)y -0.8874195E-16 GRAD(Rho)z -0.1102227E-15 Laplacian 0.5457586E+00 (-1/4)Del**2(Rho)) -0.1364397E+00 Diamond 0.9807021E+00 Metallicity 0.4491798E+01 Ellipticity 0.2638302E-01 Gb(Abramov) 0.1931030E+00 Vb(Abramov) -0.2497663E+00 Hb(Abramov) -0.5666334E-01 Ex_ueg -0.5120329E-01 Ec_ueg -0.7497209E-02 Delta_ex -0.5719267E-01 Delta_ec 0.1431356E-01 Delta_et -0.1878312E+00 Pxc 0.6829647E+01 Qxc -0.3995699E+01 3,-1 117 3 +1 2.154757 1.162078 -1.258535 Rho 0.2686997E-01 |GRAD(Rho)| 0.9332195E-16 GRAD(Rho)x -0.8759971E-16 GRAD(Rho)y -0.2201697E-16 GRAD(Rho)z 0.2346340E-16 Laplacian 0.1032487E+00 (-1/4)Del**2(Rho)) -0.2581217E-01 Diamond 0.1478061E-01 Metallicity 0.1608819E+01 Ellipticity -0.4379424E+01 Gb(Abramov) 0.2412930E-01 Vb(Abramov) -0.2244643E-01 Hb(Abramov) 0.1682872E-02 Ex_ueg -0.5943942E-02 Ec_ueg -0.1183317E-02 Delta_ex -0.6533564E-02 Delta_ec 0.1728560E-02 Delta_et -0.1553250E-01 Pxc 0.5023118E+01 Qxc -0.3779773E+01 3,+1 118 3 -1 2.990421 1.971240 -0.837784 Rho 0.1489754E+00 |GRAD(Rho)| 0.1009674E-15 GRAD(Rho)x -0.1565317E-16 GRAD(Rho)y 0.4744740E-16 GRAD(Rho)z 0.8773906E-16 Laplacian 0.5911204E+00 (-1/4)Del**2(Rho)) -0.1477801E+00 Diamond 0.1195539E+01 Metallicity 0.4880466E+01 Ellipticity 0.3744110E-01 Gb(Abramov) 0.2187260E+00 Vb(Abramov) -0.2896720E+00 Hb(Abramov) -0.7094593E-01 Ex_ueg -0.5832718E-01 Ec_ueg -0.8377955E-02 Delta_ex -0.6344889E-01 Delta_ec 0.1515743E-01 Delta_et -0.2018878E+00 Pxc 0.6961983E+01 Qxc -0.4185992E+01 3,-1 119 3 -1 -1.787243 -0.509292 -1.669841 Rho 0.6334905E-01 |GRAD(Rho)| 0.1247040E-15 GRAD(Rho)x -0.9309654E-16 GRAD(Rho)y 0.2040841E-16 GRAD(Rho)z -0.8042154E-16 Laplacian 0.2480785E+00 (-1/4)Del**2(Rho)) -0.6201964E-01 Diamond 0.1700191E+00 Metallicity 0.2796345E+01 Ellipticity 0.1679597E-01 Gb(Abramov) 0.7025114E-01 Vb(Abramov) -0.7848265E-01 Hb(Abramov) -0.8231506E-02 Ex_ueg -0.1865113E-01 Ec_ueg -0.3165062E-02 Delta_ex -0.2157589E-01 Delta_ec 0.7184089E-02 Delta_et -0.8038457E-01 Pxc 0.5892817E+01 Qxc -0.3003288E+01 3,-1 120 3 -1 -2.144275 -0.937877 -3.021954 Rho 0.1493871E+00 |GRAD(Rho)| 0.1330404E-14 GRAD(Rho)x -0.4212803E-15 GRAD(Rho)y -0.1245613E-14 GRAD(Rho)z 0.2023528E-15 Laplacian 0.5676841E+00 (-1/4)Del**2(Rho)) -0.1419210E+00 Diamond 0.1170354E+01 Metallicity 0.5105382E+01 Ellipticity 0.1233032E+00 Gb(Abramov) 0.2153742E+00 Vb(Abramov) -0.2888274E+00 Hb(Abramov) -0.7345317E-01 Ex_ueg -0.5854222E-01 Ec_ueg -0.8404291E-02 Delta_ex -0.6115887E-01 Delta_ec 0.1487564E-01 Delta_et -0.1989602E+00 Pxc 0.6965753E+01 Qxc -0.4111344E+01 3,-1 121 3 -1 -3.040167 -0.864004 -1.956076 Rho 0.1277830E+00 |GRAD(Rho)| 0.4468587E-15 GRAD(Rho)x 0.2251617E-15 GRAD(Rho)y 0.3530162E-15 GRAD(Rho)z -0.1560912E-15 Laplacian 0.4909216E+00 (-1/4)Del**2(Rho)) -0.1227304E+00 Diamond 0.8338653E+00 Metallicity 0.4550470E+01 Ellipticity 0.1306161E-01 Gb(Abramov) 0.1749004E+00 Vb(Abramov) -0.2270704E+00 Hb(Abramov) -0.5217002E-01 Ex_ueg -0.4753526E-01 Ec_ueg -0.7036868E-02 Delta_ex -0.5086860E-01 Delta_ec 0.1324294E-01 Delta_et -0.1725685E+00 Pxc 0.6755172E+01 Qxc -0.3841186E+01 3,-1 122 3 -1 0.510112 -1.741558 1.690237 Rho 0.4510358E-01 |GRAD(Rho)| 0.3957027E-12 GRAD(Rho)x -0.2384551E-12 GRAD(Rho)y -0.1182843E-12 GRAD(Rho)z 0.2927946E-12 Laplacian 0.1771198E+00 (-1/4)Del**2(Rho)) -0.4427994E-01 Diamond 0.7780749E-01 Metallicity 0.2223470E+01 Ellipticity 0.4424765E-02 Gb(Abramov) 0.4592914E-01 Vb(Abramov) -0.4757834E-01 Hb(Abramov) -0.1649203E-02 Ex_ueg -0.1185768E-01 Ec_ueg -0.2146061E-02 Delta_ex -0.1419518E-01 Delta_ec 0.5260187E-02 Delta_et -0.5397904E-01 Pxc 0.5525324E+01 Qxc -0.2698608E+01 3,-1 123 3 +1 -0.323421 -1.229804 -2.518420 Rho 0.3933174E-02 |GRAD(Rho)| 0.6534231E-12 GRAD(Rho)x -0.6262130E-12 GRAD(Rho)y -0.1707317E-12 GRAD(Rho)z 0.7529739E-13 Laplacian 0.1568991E-01 (-1/4)Del**2(Rho)) -0.3922477E-02 Diamond 0.1743427E-03 Metallicity 0.4304256E+00 Ellipticity -0.1283563E+01 Gb(Abramov) 0.2896374E-02 Vb(Abramov) -0.1870271E-02 Hb(Abramov) 0.1026103E-02 Ex_ueg -0.4585387E-03 Ec_ueg -0.1012958E-03 Delta_ex -0.6294195E-03 Delta_ec 0.2869488E-03 Delta_et -0.1535121E-02 Pxc 0.4526728E+01 Qxc -0.2193491E+01 3,+1 124 3 +1 -2.926589 0.146750 0.189453 Rho 0.5575012E-02 |GRAD(Rho)| 0.5848913E-17 GRAD(Rho)x 0.6594853E-18 GRAD(Rho)y -0.3119599E-18 GRAD(Rho)z -0.5803236E-17 Laplacian 0.2319503E-01 (-1/4)Del**2(Rho)) -0.5798758E-02 Diamond 0.6081682E-03 Metallicity 0.5207483E+00 Ellipticity -0.2985256E+01 Gb(Abramov) 0.4369121E-02 Vb(Abramov) -0.2939484E-02 Hb(Abramov) 0.1429637E-02 Ex_ueg -0.7300951E-03 Ec_ueg -0.1717412E-03 Delta_ex -0.1163447E-02 Delta_ec 0.7045664E-03 Delta_et -0.3963697E-02 Pxc 0.4251135E+01 Qxc -0.1651296E+01 3,+1 125 3 -1 -2.772144 -0.544374 1.850431 Rho 0.1420780E+00 |GRAD(Rho)| 0.3437181E-12 GRAD(Rho)x -0.9003745E-13 GRAD(Rho)y -0.2218996E-12 GRAD(Rho)z -0.2465684E-12 Laplacian 0.5971967E+00 (-1/4)Del**2(Rho)) -0.1492992E+00 Diamond 0.1140806E+01 Metallicity 0.4463824E+01 Ellipticity 0.1041516E-01 Gb(Abramov) 0.2106070E+00 Vb(Abramov) -0.2719148E+00 Hb(Abramov) -0.6130781E-01 Ex_ueg -0.5475462E-01 Ec_ueg -0.7938335E-02 Delta_ex -0.6336102E-01 Delta_ec 0.1548907E-01 Delta_et -0.2048714E+00 Pxc 0.6897494E+01 Qxc -0.4090692E+01 3,-1 126 3 +3 -2.428187 0.094014 0.138815 Rho 0.5095363E-02 |GRAD(Rho)| 0.1185536E-13 GRAD(Rho)x 0.8664380E-14 GRAD(Rho)y 0.5807746E-14 GRAD(Rho)z 0.5634544E-14 Laplacian 0.2152429E-01 (-1/4)Del**2(Rho)) -0.5381072E-02 Diamond 0.2317134E-03 Metallicity 0.4830324E+00 Ellipticity -0.1678348E+00 Gb(Abramov) 0.4020587E-02 Vb(Abramov) -0.2660102E-02 Hb(Abramov) 0.1360485E-02 Ex_ueg -0.6475678E-03 Ec_ueg -0.1510190E-03 Delta_ex -0.8177001E-03 Delta_ec 0.2200408E-03 Delta_et -0.1386477E-02 Pxc 0.4287990E+01 Qxc -0.3716130E+01 3,+3 127 3 -1 -0.242057 -1.413423 -3.254618 Rho 0.5560257E-02 |GRAD(Rho)| 0.5991368E-16 GRAD(Rho)x 0.4790818E-16 GRAD(Rho)y 0.3030345E-16 GRAD(Rho)z 0.1939473E-16 Laplacian 0.2167934E-01 (-1/4)Del**2(Rho)) -0.5419835E-02 Diamond 0.8394483E-03 Metallicity 0.5547005E+00 Ellipticity 0.1140330E+00 Gb(Abramov) 0.4114288E-02 Vb(Abramov) -0.2808740E-02 Hb(Abramov) 0.1305548E-02 Ex_ueg -0.7275199E-03 Ec_ueg -0.1711021E-03 Delta_ex -0.1306912E-02 Delta_ec 0.1051427E-02 Delta_et -0.5747861E-02 Pxc 0.4251965E+01 Qxc -0.1242988E+01 3,-1 128 3 +1 -0.582885 -1.647333 0.533148 Rho 0.9077154E-02 |GRAD(Rho)| 0.1635553E-16 GRAD(Rho)x -0.1234340E-16 GRAD(Rho)y 0.8016809E-17 GRAD(Rho)z -0.7132653E-17 Laplacian 0.3592140E-01 (-1/4)Del**2(Rho)) -0.8980350E-02 Diamond 0.1013871E-02 Metallicity 0.7577212E+00 Ellipticity -0.1430474E+01 Gb(Abramov) 0.7121000E-02 Vb(Abramov) -0.5261651E-02 Hb(Abramov) 0.1859350E-02 Ex_ueg -0.1398464E-02 Ec_ueg -0.3263795E-03 Delta_ex -0.1654919E-02 Delta_ec 0.4898462E-03 Delta_et -0.3407279E-02 Pxc 0.4284779E+01 Qxc -0.3378447E+01 3,+1 129 3 -1 -1.581207 -2.192692 -3.051240 Rho 0.3200342E+00 |GRAD(Rho)| 0.7886854E-15 GRAD(Rho)x 0.2376779E-15 GRAD(Rho)y 0.6235289E-15 GRAD(Rho)z 0.4204113E-15 Laplacian -0.1626539E+01 (-1/4)Del**2(Rho)) 0.4066348E+00 Diamond 0.5683596E+01 Metallicity -0.6343700E+01 Ellipticity 0.8937128E-03 Gb(Abramov) 0.1588383E+00 Vb(Abramov) -0.7243114E+00 Hb(Abramov) -0.5654731E+00 Ex_ueg -0.1616765E+00 Ec_ueg -0.2014751E-01 Delta_ex 0.1619881E+00 Delta_ec 0.5673793E-01 Delta_et -0.1346935E+01 Pxc 0.8024638E+01 Qxc 0.2855024E+01 3,-1 130 3 -1 0.028484 -1.974799 -1.015953 Rho 0.7576553E-02 |GRAD(Rho)| 0.2349232E-16 GRAD(Rho)x -0.1984090E-16 GRAD(Rho)y 0.1252846E-16 GRAD(Rho)z 0.1124860E-17 Laplacian 0.2893050E-01 (-1/4)Del**2(Rho)) -0.7232626E-02 Diamond 0.1278859E-02 Metallicity 0.6961614E+00 Ellipticity 0.1304648E+01 Gb(Abramov) 0.5660930E-02 Vb(Abramov) -0.4089234E-02 Hb(Abramov) 0.1571696E-02 Ex_ueg -0.1099041E-02 Ec_ueg -0.2594236E-03 Delta_ex -0.1614864E-02 Delta_ec 0.1004651E-02 Delta_et -0.6142892E-02 Pxc 0.4236473E+01 Qxc -0.1607388E+01 3,-1 131 3 -1 -0.558650 -1.803665 2.785349 Rho 0.1158387E+00 |GRAD(Rho)| 0.5368860E-12 GRAD(Rho)x -0.3406309E-12 GRAD(Rho)y 0.3926122E-12 GRAD(Rho)z 0.1344354E-12 Laplacian 0.4841365E+00 (-1/4)Del**2(Rho)) -0.1210341E+00 Diamond 0.7154671E+00 Metallicity 0.3918036E+01 Ellipticity 0.3644626E-02 Gb(Abramov) 0.1597254E+00 Vb(Abramov) -0.1984167E+00 Hb(Abramov) -0.3869130E-01 Ex_ueg -0.4170520E-01 Ec_ueg -0.6294116E-02 Delta_ex -0.4879296E-01 Delta_ec 0.1297548E-01 Delta_et -0.1655938E+00 Pxc 0.6626062E+01 Qxc -0.3760398E+01 3,-1 132 3 -1 -0.558855 2.709500 -1.776837 Rho 0.1493250E+00 |GRAD(Rho)| 0.2151132E-15 GRAD(Rho)x -0.4656648E-16 GRAD(Rho)y 0.2024748E-16 GRAD(Rho)z -0.2090342E-15 Laplacian 0.6316238E+00 (-1/4)Del**2(Rho)) -0.1579059E+00 Diamond 0.1271711E+01 Metallicity 0.4585383E+01 Ellipticity 0.1471092E-01 Gb(Abramov) 0.2259472E+00 Vb(Abramov) -0.2939884E+00 Hb(Abramov) -0.6804121E-01 Ex_ueg -0.5850977E-01 Ec_ueg -0.8400318E-02 Delta_ex -0.6774167E-01 Delta_ec 0.1601937E-01 Delta_et -0.2130596E+00 Pxc 0.6965185E+01 Qxc -0.4228734E+01 3,-1 133 3 -1 0.007921 2.894617 -0.038566 Rho 0.5863255E-02 |GRAD(Rho)| 0.3899092E-17 GRAD(Rho)x 0.3743635E-17 GRAD(Rho)y -0.3087551E-18 GRAD(Rho)z -0.1045364E-17 Laplacian 0.2376643E-01 (-1/4)Del**2(Rho)) -0.5941608E-02 Diamond 0.7853278E-03 Metallicity 0.5527733E+00 Ellipticity 0.2795750E+01 Gb(Abramov) 0.4508466E-02 Vb(Abramov) -0.3075324E-02 Hb(Abramov) 0.1433142E-02 Ex_ueg -0.7808544E-03 Ec_ueg -0.1842493E-03 Delta_ex -0.1293077E-02 Delta_ec 0.8807039E-03 Delta_et -0.4964515E-02 Pxc 0.4238033E+01 Qxc -0.1468231E+01 3,-1 134 3 -1 0.545424 2.770837 1.771524 Rho 0.1425863E+00 |GRAD(Rho)| 0.4255257E-09 GRAD(Rho)x 0.2709700E-09 GRAD(Rho)y 0.1049327E-09 GRAD(Rho)z -0.3108642E-09 Laplacian 0.5995234E+00 (-1/4)Del**2(Rho)) -0.1498808E+00 Diamond 0.1150516E+01 Metallicity 0.4473047E+01 Ellipticity 0.8931018E-02 Gb(Abramov) 0.2116579E+00 Vb(Abramov) -0.2734349E+00 Hb(Abramov) -0.6177705E-01 Ex_ueg -0.5501598E-01 Ec_ueg -0.7970633E-02 Delta_ex -0.6366688E-01 Delta_ec 0.1554238E-01 Delta_et -0.2057005E+00 Pxc 0.6902335E+01 Qxc -0.4096340E+01 3,-1 135 3 -1 -0.052672 3.110790 -3.159873 Rho 0.2432076E+00 |GRAD(Rho)| 0.1253345E-14 GRAD(Rho)x 0.1173649E-15 GRAD(Rho)y -0.7822519E-15 GRAD(Rho)z 0.9722041E-15 Laplacian 0.9149954E+00 (-1/4)Del**2(Rho)) -0.2287489E+00 Diamond 0.3256594E+01 Metallicity 0.7136571E+01 Ellipticity 0.1767393E-02 Gb(Abramov) 0.4245797E+00 Vb(Abramov) -0.6204105E+00 Hb(Abramov) -0.1958308E+00 Ex_ueg -0.1121213E+00 Ec_ueg -0.1466113E-01 Delta_ex -0.1107690E+00 Delta_ec 0.1983816E-01 Delta_et -0.2735850E+00 Pxc 0.7647519E+01 Qxc -0.5583633E+01 3,-1 136 3 -1 0.069851 3.177991 3.165825 Rho 0.2423841E+00 |GRAD(Rho)| 0.2949969E-15 GRAD(Rho)x 0.1720087E-15 GRAD(Rho)y -0.2333203E-15 GRAD(Rho)z -0.5475221E-16 Laplacian 0.9071202E+00 (-1/4)Del**2(Rho)) -0.2267801E+00 Diamond 0.3219433E+01 Metallicity 0.7157946E+01 Ellipticity 0.2679277E-02 Gb(Abramov) 0.4217333E+00 Vb(Abramov) -0.6166865E+00 Hb(Abramov) -0.1949532E+00 Ex_ueg -0.1116153E+00 Ec_ueg -0.1460407E-01 Delta_ex -0.1097392E+00 Delta_ec 0.1972523E-01 Delta_et -0.2721767E+00 Pxc 0.7642753E+01 Qxc -0.5563392E+01 3,-1 137 3 +1 1.138103 -2.188139 1.273289 Rho 0.2777997E-01 |GRAD(Rho)| 0.4248226E-16 GRAD(Rho)x -0.7917900E-17 GRAD(Rho)y -0.4020564E-16 GRAD(Rho)z 0.1120516E-16 Laplacian 0.1088397E+00 (-1/4)Del**2(Rho)) -0.2720992E-01 Diamond 0.1661789E-01 Metallicity 0.1613290E+01 Ellipticity -0.4896382E+01 Gb(Abramov) 0.2545619E-01 Vb(Abramov) -0.2370247E-01 Hb(Abramov) 0.1753727E-02 Ex_ueg -0.6213851E-02 Ec_ueg -0.1229675E-02 Delta_ex -0.6978173E-02 Delta_ec 0.1873571E-02 Delta_et -0.1696252E-01 Pxc 0.5053247E+01 Qxc -0.3724532E+01 3,+1 138 3 -1 1.909267 -0.613829 -2.805568 Rho 0.1568596E+00 |GRAD(Rho)| 0.6509135E-14 GRAD(Rho)x 0.4864544E-14 GRAD(Rho)y 0.4170194E-14 GRAD(Rho)z 0.1146530E-14 Laplacian 0.6018139E+00 (-1/4)Del**2(Rho)) -0.1504535E+00 Diamond 0.1312155E+01 Metallicity 0.5223996E+01 Ellipticity 0.1126063E+00 Gb(Abramov) 0.2312970E+00 Vb(Abramov) -0.3121406E+00 Hb(Abramov) -0.8084356E-01 Ex_ueg -0.6247888E-01 Ec_ueg -0.8884064E-02 Delta_ex -0.6558292E-01 Delta_ec 0.1552337E-01 Delta_et -0.2089426E+00 Pxc 0.7032691E+01 Qxc -0.4224785E+01 3,-1 139 3 -1 1.949017 -0.881024 2.999682 Rho 0.1491268E+00 |GRAD(Rho)| 0.2561046E-15 GRAD(Rho)x 0.2021766E-15 GRAD(Rho)y 0.1404313E-15 GRAD(Rho)z -0.7066288E-16 Laplacian 0.5852899E+00 (-1/4)Del**2(Rho)) -0.1463225E+00 Diamond 0.1188351E+01 Metallicity 0.4937438E+01 Ellipticity 0.4224945E-01 Gb(Abramov) 0.2179580E+00 Vb(Abramov) -0.2895936E+00 Hb(Abramov) -0.7163555E-01 Ex_ueg -0.5840626E-01 Ec_ueg -0.8387641E-02 Delta_ex -0.6287042E-01 Delta_ec 0.1506076E-01 Delta_et -0.2007576E+00 Pxc 0.6963371E+01 Qxc -0.4174451E+01 3,-1 140 3 +1 1.114124 -1.315551 2.158585 Rho 0.2633193E-01 |GRAD(Rho)| 0.4992550E-16 GRAD(Rho)x 0.1045941E-16 GRAD(Rho)y -0.5902758E-17 GRAD(Rho)z 0.4845941E-16 Laplacian 0.1002396E+00 (-1/4)Del**2(Rho)) -0.2505990E-01 Diamond 0.1344805E-01 Metallicity 0.1602181E+01 Ellipticity -0.3505064E+01 Gb(Abramov) 0.2339835E-01 Vb(Abramov) -0.2173680E-01 Hb(Abramov) 0.1661549E-02 Ex_ueg -0.5785780E-02 Ec_ueg -0.1156006E-02 Delta_ex -0.6257343E-02 Delta_ec 0.1586370E-02 Delta_et -0.1420360E-01 Pxc 0.5004975E+01 Qxc -0.3944441E+01 3,+1 141 3 +1 0.319748 -1.743889 -0.689797 Rho 0.7057740E-02 |GRAD(Rho)| 0.1026350E-12 GRAD(Rho)x 0.9744000E-13 GRAD(Rho)y -0.2913639E-13 GRAD(Rho)z 0.1380097E-13 Laplacian 0.2710341E-01 (-1/4)Del**2(Rho)) -0.6775852E-02 Diamond 0.7322712E-03 Metallicity 0.6602352E+00 Ellipticity -0.1840760E+01 Gb(Abramov) 0.5262844E-02 Vb(Abramov) -0.3749836E-02 Hb(Abramov) 0.1513008E-02 Ex_ueg -0.9998602E-03 Ec_ueg -0.2365129E-03 Delta_ex -0.1282694E-02 Delta_ec 0.5677700E-03 Delta_et -0.3527731E-02 Pxc 0.4227508E+01 Qxc -0.2259179E+01 3,+1 142 3 -1 0.201032 -1.140560 -1.862824 Rho 0.5766947E-02 |GRAD(Rho)| 0.1018096E-13 GRAD(Rho)x -0.6439981E-14 GRAD(Rho)y -0.5917512E-14 GRAD(Rho)z -0.5211676E-14 Laplacian 0.2254471E-01 (-1/4)Del**2(Rho)) -0.5636179E-02 Diamond 0.7382329E-03 Metallicity 0.5668634E+00 Ellipticity 0.5660197E+00 Gb(Abramov) 0.4289943E-02 Vb(Abramov) -0.2943707E-02 Hb(Abramov) 0.1346236E-02 Ex_ueg -0.7638001E-03 Ec_ueg -0.1800655E-03 Delta_ex -0.1230260E-02 Delta_ec 0.8486922E-03 Delta_et -0.4755553E-02 Pxc 0.4241790E+01 Qxc -0.1449596E+01 3,-1 143 3 -1 2.815689 -0.555639 -1.786994 Rho 0.1426038E+00 |GRAD(Rho)| 0.3858176E-15 GRAD(Rho)x -0.1948853E-16 GRAD(Rho)y 0.3137139E-15 GRAD(Rho)z -0.2237387E-15 Laplacian 0.5912350E+00 (-1/4)Del**2(Rho)) -0.1478087E+00 Diamond 0.1133644E+01 Metallicity 0.4536680E+01 Ellipticity 0.1602615E-01 Gb(Abramov) 0.2102993E+00 Vb(Abramov) -0.2727899E+00 Hb(Abramov) -0.6249059E-01 Ex_ueg -0.5502497E-01 Ec_ueg -0.7971744E-02 Delta_ex -0.6277649E-01 Delta_ec 0.1530549E-01 Delta_et -0.2025232E+00 Pxc 0.6902501E+01 Qxc -0.4101568E+01 3,-1 144 3 -1 2.972726 -0.894167 1.985531 Rho 0.1743124E+00 |GRAD(Rho)| 0.1884668E-15 GRAD(Rho)x -0.4404571E-16 GRAD(Rho)y -0.1817936E-15 GRAD(Rho)z -0.2303930E-16 Laplacian 0.6813675E+00 (-1/4)Del**2(Rho)) -0.1703419E+00 Diamond 0.1655964E+01 Metallicity 0.5501051E+01 Ellipticity 0.5733216E-01 Gb(Abramov) 0.2697378E+00 Vb(Abramov) -0.3691337E+00 Hb(Abramov) -0.9939594E-01 Ex_ueg -0.7191556E-01 Ec_ueg -0.1001762E-01 Delta_ex -0.7597041E-01 Delta_ec 0.1667199E-01 Delta_et -0.2262555E+00 Pxc 0.7178905E+01 Qxc -0.4556768E+01 3,-1 145 3 -1 3.157992 0.012048 3.181769 Rho 0.2429347E+00 |GRAD(Rho)| 0.5980684E-14 GRAD(Rho)x -0.5172403E-14 GRAD(Rho)y 0.2973343E-14 GRAD(Rho)z -0.4172010E-15 Laplacian 0.9006607E+00 (-1/4)Del**2(Rho)) -0.2251652E+00 Diamond 0.3215388E+01 Metallicity 0.7236598E+01 Ellipticity 0.3376676E-02 Gb(Abramov) 0.4216818E+00 Vb(Abramov) -0.6181983E+00 Hb(Abramov) -0.1965166E+00 Ex_ueg -0.1119535E+00 Ec_ueg -0.1464221E-01 Delta_ex -0.1090756E+00 Delta_ec 0.1966623E-01 Delta_et -0.2718087E+00 Pxc 0.7645941E+01 Qxc -0.5546342E+01 3,-1 146 3 -1 -3.190570 3.153527 -0.029413 Rho 0.2433375E+00 |GRAD(Rho)| 0.1611479E-13 GRAD(Rho)x -0.1082608E-13 GRAD(Rho)y -0.1193555E-13 GRAD(Rho)z -0.1580767E-15 Laplacian 0.9053657E+00 (-1/4)Del**2(Rho)) -0.2263414E+00 Diamond 0.3232702E+01 Metallicity 0.7218895E+01 Ellipticity 0.2418453E-02 Gb(Abramov) 0.4232168E+00 Vb(Abramov) -0.6200921E+00 Hb(Abramov) -0.1968754E+00 Ex_ueg -0.1122011E+00 Ec_ueg -0.1467013E-01 Delta_ex -0.1096620E+00 Delta_ec 0.1970377E-01 Delta_et -0.2720888E+00 Pxc 0.7648269E+01 Qxc -0.5565533E+01 3,-1 147 3 -1 -1.715559 1.694382 0.567219 Rho 0.5216388E-01 |GRAD(Rho)| 0.6017647E-12 GRAD(Rho)x -0.3395032E-12 GRAD(Rho)y 0.4277619E-12 GRAD(Rho)z -0.2527410E-12 Laplacian 0.1994003E+00 (-1/4)Del**2(Rho)) -0.4985007E-01 Diamond 0.1036070E+00 Metallicity 0.2516733E+01 Ellipticity 0.9204252E-02 Gb(Abramov) 0.5414327E-01 Vb(Abramov) -0.5843647E-01 Hb(Abramov) -0.4293196E-02 Ex_ueg -0.1439500E-01 Ec_ueg -0.2534830E-02 Delta_ex -0.1644820E-01 Delta_ec 0.5687284E-02 Delta_et -0.6055499E-01 Pxc 0.5678881E+01 Qxc -0.2892101E+01 3,-1 148 3 -1 -0.423768 0.383290 0.404868 Rho 0.1349341E+00 |GRAD(Rho)| 0.6554876E-15 GRAD(Rho)x -0.4012919E-15 GRAD(Rho)y 0.4252001E-15 GRAD(Rho)z 0.2963675E-15 Laplacian 0.7043407E+00 (-1/4)Del**2(Rho)) -0.1760852E+00 Diamond 0.1521089E+01 Metallicity 0.3472959E+01 Ellipticity 0.3294235E-02 Gb(Abramov) 0.2193129E+00 Vb(Abramov) -0.2625406E+00 Hb(Abramov) -0.4322771E-01 Ex_ueg -0.5111486E-01 Ec_ueg -0.7486169E-02 Delta_ex -0.7674070E-01 Delta_ec 0.2375004E-01 Delta_et -0.3219165E+00 Pxc 0.6827906E+01 Qxc -0.3231182E+01 3,-1 149 3 -1 -1.696989 0.535157 1.757072 Rho 0.5061202E-01 |GRAD(Rho)| 0.9926855E-16 GRAD(Rho)x -0.8750232E-16 GRAD(Rho)y -0.3384532E-16 GRAD(Rho)z 0.3243586E-16 Laplacian 0.1925949E+00 (-1/4)Del**2(Rho)) -0.4814872E-01 Diamond 0.9608623E-01 Metallicity 0.2477752E+01 Ellipticity 0.9054076E-02 Gb(Abramov) 0.5198258E-01 Vb(Abramov) -0.5581644E-01 Hb(Abramov) -0.3833857E-02 Ex_ueg -0.1382685E-01 Ec_ueg -0.2448732E-02 Delta_ex -0.1576704E-01 Delta_ec 0.5497759E-02 Delta_et -0.5808616E-01 Pxc 0.5646535E+01 Qxc -0.2867903E+01 3,-1 150 3 -1 0.823812 -1.990604 2.992480 Rho 0.1269576E+00 |GRAD(Rho)| 0.3428588E-15 GRAD(Rho)x 0.1854867E-15 GRAD(Rho)y 0.1365553E-15 GRAD(Rho)z 0.2539676E-15 Laplacian 0.4976044E+00 (-1/4)Del**2(Rho)) -0.1244011E+00 Diamond 0.8210576E+00 Metallicity 0.4441127E+01 Ellipticity 0.4374500E-01 Gb(Abramov) 0.1750143E+00 Vb(Abramov) -0.2256274E+00 Hb(Abramov) -0.5061316E-01 Ex_ueg -0.4712628E-01 Ec_ueg -0.6985224E-02 Delta_ex -0.5126219E-01 Delta_ec 0.1305268E-01 Delta_et -0.1692148E+00 Pxc 0.6746567E+01 Qxc -0.3927332E+01 3,-1 151 3 +1 0.262435 -1.499588 -1.647222 Rho 0.5524610E-02 |GRAD(Rho)| 0.1596505E-15 GRAD(Rho)x 0.9573505E-16 GRAD(Rho)y -0.1259030E-15 GRAD(Rho)z 0.2171454E-16 Laplacian 0.2149966E-01 (-1/4)Del**2(Rho)) -0.5374915E-02 Diamond 0.4868094E-03 Metallicity 0.5533725E+00 Ellipticity -0.2081996E+01 Gb(Abramov) 0.4078998E-02 Vb(Abramov) -0.2783082E-02 Hb(Abramov) 0.1295917E-02 Ex_ueg -0.7213076E-03 Ec_ueg -0.1695583E-03 Delta_ex -0.1019516E-02 Delta_ec 0.5513866E-03 Delta_et -0.3135645E-02 Pxc 0.4254039E+01 Qxc -0.1849004E+01 3,+1 152 3 -1 2.748444 -1.795509 -0.592121 Rho 0.1406305E+00 |GRAD(Rho)| 0.3166172E-15 GRAD(Rho)x -0.1501146E-15 GRAD(Rho)y -0.2358411E-15 GRAD(Rho)z 0.1486306E-15 Laplacian 0.5840369E+00 (-1/4)Del**2(Rho)) -0.1460092E+00 Diamond 0.1103967E+01 Metallicity 0.4487164E+01 Ellipticity 0.1040314E-01 Gb(Abramov) 0.2065341E+00 Vb(Abramov) -0.2670589E+00 Hb(Abramov) -0.6052482E-01 Ex_ueg -0.5401209E-01 Ec_ueg -0.7846454E-02 Delta_ex -0.6183158E-01 Delta_ec 0.1522312E-01 Delta_et -0.2011207E+00 Pxc 0.6883631E+01 Qxc -0.4061689E+01 3,-1 153 3 -1 2.921533 -1.998933 0.820783 Rho 0.1001027E+00 |GRAD(Rho)| 0.1442363E-15 GRAD(Rho)x -0.7140827E-16 GRAD(Rho)y -0.6247376E-16 GRAD(Rho)z 0.1086371E-15 Laplacian 0.3992805E+00 (-1/4)Del**2(Rho)) -0.9982011E-01 Diamond 0.4975251E+00 Metallicity 0.3724585E+01 Ellipticity 0.1624775E-02 Gb(Abramov) 0.1285115E+00 Vb(Abramov) -0.1572029E+00 Hb(Abramov) -0.2869137E-01 Ex_ueg -0.3432779E-01 Ec_ueg -0.5331272E-02 Delta_ex -0.3892564E-01 Delta_ec 0.1114102E-01 Delta_et -0.1384341E+00 Pxc 0.6438951E+01 Qxc -0.3493902E+01 3,-1 154 3 -1 1.774969 0.524751 2.749172 Rho 0.1236063E+00 |GRAD(Rho)| 0.2329877E-15 GRAD(Rho)x 0.1207937E-15 GRAD(Rho)y -0.1987478E-15 GRAD(Rho)z -0.1383713E-16 Laplacian 0.5228969E+00 (-1/4)Del**2(Rho)) -0.1307242E+00 Diamond 0.8454686E+00 Metallicity 0.4042016E+01 Ellipticity 0.1213241E-01 Gb(Abramov) 0.1752144E+00 Vb(Abramov) -0.2197046E+00 Hb(Abramov) -0.4449017E-01 Ex_ueg -0.4547498E-01 Ec_ueg -0.6776023E-02 Delta_ex -0.5365132E-01 Delta_ec 0.1403312E-01 Delta_et -0.1815159E+00 Pxc 0.6711160E+01 Qxc -0.3823192E+01 3,-1 155 3 -1 -2.982649 0.860932 2.025564 Rho 0.1316061E+00 |GRAD(Rho)| 0.2003050E-15 GRAD(Rho)x 0.2929379E-16 GRAD(Rho)y -0.1429114E-15 GRAD(Rho)z -0.1372600E-15 Laplacian 0.5198205E+00 (-1/4)Del**2(Rho)) -0.1299551E+00 Diamond 0.9050849E+00 Metallicity 0.4513911E+01 Ellipticity 0.3058620E-01 Gb(Abramov) 0.1844044E+00 Vb(Abramov) -0.2388536E+00 Hb(Abramov) -0.5444927E-01 Ex_ueg -0.4944089E-01 Ec_ueg -0.7276652E-02 Delta_ex -0.5413010E-01 Delta_ec 0.1371967E-01 Delta_et -0.1792832E+00 Pxc 0.6794456E+01 Qxc -0.3945438E+01 3,-1 156 3 -1 -2.787039 1.765048 -0.523528 Rho 0.1462883E+00 |GRAD(Rho)| 0.4042527E-14 GRAD(Rho)x -0.6738588E-15 GRAD(Rho)y -0.2682289E-14 GRAD(Rho)z -0.2948434E-14 Laplacian 0.6172749E+00 (-1/4)Del**2(Rho)) -0.1543187E+00 Diamond 0.1213063E+01 Metallicity 0.4534026E+01 Ellipticity 0.1492007E-01 Gb(Abramov) 0.2194933E+00 Vb(Abramov) -0.2846680E+00 Hb(Abramov) -0.6517461E-01 Ex_ueg -0.5692870E-01 Ec_ueg -0.8206339E-02 Delta_ex -0.6587533E-01 Delta_ec 0.1574514E-01 Delta_et -0.2088273E+00 Pxc 0.6937163E+01 Qxc -0.4183851E+01 3,-1 157 3 -1 -3.004587 1.963247 0.896750 Rho 0.1503328E+00 |GRAD(Rho)| 0.7074447E-14 GRAD(Rho)x -0.5956796E-14 GRAD(Rho)y 0.3667558E-14 GRAD(Rho)z -0.1055173E-14 Laplacian 0.5896559E+00 (-1/4)Del**2(Rho)) -0.1474140E+00 Diamond 0.1206293E+01 Metallicity 0.4967115E+01 Ellipticity 0.4537686E-01 Gb(Abramov) 0.2203130E+00 Vb(Abramov) -0.2932121E+00 Hb(Abramov) -0.7289905E-01 Ex_ueg -0.5903690E-01 Ec_ueg -0.8464824E-02 Delta_ex -0.6343915E-01 Delta_ec 0.1509757E-01 Delta_et -0.2013756E+00 Pxc 0.6974380E+01 Qxc -0.4201944E+01 3,-1 158 3 -1 -2.781300 0.539618 -1.768950 Rho 0.1355320E+00 |GRAD(Rho)| 0.1162631E-15 GRAD(Rho)x 0.6896203E-16 GRAD(Rho)y -0.9096456E-16 GRAD(Rho)z -0.2206351E-16 Laplacian 0.5753187E+00 (-1/4)Del**2(Rho)) -0.1438297E+00 Diamond 0.1039962E+01 Metallicity 0.4283259E+01 Ellipticity 0.8196539E-02 Gb(Abramov) 0.1985631E+00 Vb(Abramov) -0.2532965E+00 Hb(Abramov) -0.5473339E-01 Ex_ueg -0.5141708E-01 Ec_ueg -0.7523888E-02 Delta_ex -0.6036172E-01 Delta_ec 0.1512336E-01 Delta_et -0.1986463E+00 Pxc 0.6833845E+01 Qxc -0.3991289E+01 3,-1 159 3 -1 -0.762421 -3.370126 -1.322025 Rho 0.3115388E+00 |GRAD(Rho)| 0.5013353E-13 GRAD(Rho)x -0.4307083E-13 GRAD(Rho)y 0.3638476E-14 GRAD(Rho)z -0.2539757E-13 Laplacian -0.1595030E+01 (-1/4)Del**2(Rho)) 0.3987574E+00 Diamond 0.5400840E+01 Metallicity -0.6185356E+01 Ellipticity 0.3260312E-02 Gb(Abramov) 0.1452378E+00 Vb(Abramov) -0.6892331E+00 Hb(Abramov) -0.5439953E+00 Ex_ueg -0.1559797E+00 Ec_ueg -0.1952478E-01 Delta_ex 0.1571622E+00 Delta_ec 0.5567180E-01 Delta_et -0.1306957E+01 Pxc 0.7988804E+01 Qxc 0.2823013E+01 3,-1 160 3 -1 3.111640 -3.203559 -0.106945 Rho 0.2386322E+00 |GRAD(Rho)| 0.8039800E-15 GRAD(Rho)x -0.7853961E-15 GRAD(Rho)y 0.6602791E-16 GRAD(Rho)z 0.1586730E-15 Laplacian 0.8896254E+00 (-1/4)Del**2(Rho)) -0.2224063E+00 Diamond 0.3106724E+01 Metallicity 0.7111391E+01 Ellipticity 0.1205167E-01 Gb(Abramov) 0.4118740E+00 Vb(Abramov) -0.6013416E+00 Hb(Abramov) -0.1894676E+00 Ex_ueg -0.1093177E+00 Ec_ueg -0.1434462E-01 Delta_ex -0.1072277E+00 Delta_ec 0.1951293E-01 Delta_et -0.2694763E+00 Pxc 0.7620819E+01 Qxc -0.5495211E+01 3,-1 161 3 +1 -0.295817 -0.562603 -3.006956 Rho 0.3551190E-02 |GRAD(Rho)| 0.6626745E-17 GRAD(Rho)x -0.6384087E-17 GRAD(Rho)y -0.1599728E-17 GRAD(Rho)z -0.7733411E-18 Laplacian 0.1403508E-01 (-1/4)Del**2(Rho)) -0.3508771E-02 Diamond 0.1585044E-03 Metallicity 0.4058399E+00 Ellipticity -0.1395557E+01 Gb(Abramov) 0.2576514E-02 Vb(Abramov) -0.1644257E-02 Hb(Abramov) 0.9322571E-03 Ex_ueg -0.4001446E-03 Ec_ueg -0.8510753E-04 Delta_ex -0.5836988E-03 Delta_ec 0.3157911E-03 Delta_et -0.1599203E-02 Pxc 0.4701636E+01 Qxc -0.1848370E+01 3,+1 162 3 -1 -0.525937 1.705365 1.723690 Rho 0.5557877E-01 |GRAD(Rho)| 0.1031529E-15 GRAD(Rho)x 0.5846772E-16 GRAD(Rho)y 0.5902973E-16 GRAD(Rho)z 0.6113545E-16 Laplacian 0.2153799E+00 (-1/4)Del**2(Rho)) -0.5384496E-01 Diamond 0.1231137E+00 Metallicity 0.2589741E+01 Ellipticity 0.1066792E-01 Gb(Abramov) 0.5913739E-01 Vb(Abramov) -0.6442982E-01 Hb(Abramov) -0.5292427E-02 Ex_ueg -0.1566500E-01 Ec_ueg -0.2725491E-02 Delta_ex -0.1809828E-01 Delta_ec 0.6214919E-02 Delta_et -0.6727923E-01 Pxc 0.5747586E+01 Qxc -0.2912069E+01 3,-1 163 3 -1 3.168412 3.167981 0.075602 Rho 0.2445684E+00 |GRAD(Rho)| 0.2581839E-12 GRAD(Rho)x -0.1769015E-12 GRAD(Rho)y -0.1817793E-12 GRAD(Rho)z -0.4817785E-13 Laplacian 0.9012944E+00 (-1/4)Del**2(Rho)) -0.2253236E+00 Diamond 0.3245296E+01 Metallicity 0.7312744E+01 Ellipticity 0.1410042E-02 Gb(Abramov) 0.4248380E+00 Vb(Abramov) -0.6243525E+00 Hb(Abramov) -0.1995144E+00 Ex_ueg -0.1129585E+00 Ec_ueg -0.1475548E-01 Delta_ex -0.1093524E+00 Delta_ec 0.1965516E-01 Delta_et -0.2717700E+00 Pxc 0.7655355E+01 Qxc -0.5563546E+01 3,-1 164 3 -1 -3.158441 -0.041074 3.243885 Rho 0.2435195E+00 |GRAD(Rho)| 0.1900173E-11 GRAD(Rho)x 0.1321939E-11 GRAD(Rho)y 0.3320773E-12 GRAD(Rho)z -0.1323955E-11 Laplacian 0.9033979E+00 (-1/4)Del**2(Rho)) -0.2258495E+00 Diamond 0.3231726E+01 Metallicity 0.7243642E+01 Ellipticity 0.2499240E-02 Gb(Abramov) 0.4232285E+00 Vb(Abramov) -0.6206074E+00 Hb(Abramov) -0.1973790E+00 Ex_ueg -0.1123130E+00 Ec_ueg -0.1468275E-01 Delta_ex -0.1094615E+00 Delta_ec 0.1968585E-01 Delta_et -0.2719798E+00 Pxc 0.7649319E+01 Qxc -0.5560416E+01 3,-1 165 3 -1 -2.804574 -1.746490 0.590697 Rho 0.1427760E+00 |GRAD(Rho)| 0.2861255E-14 GRAD(Rho)x 0.3584982E-15 GRAD(Rho)y -0.2011317E-14 GRAD(Rho)z -0.2003213E-14 Laplacian 0.5992364E+00 (-1/4)Del**2(Rho)) -0.1498091E+00 Diamond 0.1150688E+01 Metallicity 0.4485114E+01 Ellipticity 0.1194002E-01 Gb(Abramov) 0.2118579E+00 Vb(Abramov) -0.2739067E+00 Hb(Abramov) -0.6204878E-01 Ex_ueg -0.5511357E-01 Ec_ueg -0.7982687E-02 Delta_ex -0.6364516E-01 Delta_ec 0.1550873E-01 Delta_et -0.2052509E+00 Pxc 0.6904137E+01 Qxc -0.4103828E+01 3,-1 166 3 +1 -1.732418 0.585971 -0.416473 Rho 0.9927940E-02 |GRAD(Rho)| 0.2568801E-12 GRAD(Rho)x 0.7733204E-13 GRAD(Rho)y 0.5826694E-13 GRAD(Rho)z -0.2379330E-12 Laplacian 0.4033969E-01 (-1/4)Del**2(Rho)) -0.1008492E-01 Diamond 0.1232899E-02 Metallicity 0.7833921E+00 Ellipticity -0.1391951E+01 Gb(Abramov) 0.8040023E-02 Vb(Abramov) -0.5995123E-02 Hb(Abramov) 0.2044899E-02 Ex_ueg -0.1575907E-02 Ec_ueg -0.3647808E-03 Delta_ex -0.1881682E-02 Delta_ec 0.5143287E-03 Delta_et -0.3688185E-02 Pxc 0.4320148E+01 Qxc -0.3658520E+01 3,+1 167 3 -1 0.348258 -0.416939 0.371642 Rho 0.1391994E+00 |GRAD(Rho)| 0.5353955E-11 GRAD(Rho)x -0.3132155E-11 GRAD(Rho)y 0.3157273E-11 GRAD(Rho)z -0.2980950E-11 Laplacian 0.7363675E+00 (-1/4)Del**2(Rho)) -0.1840919E+00 Diamond 0.1652437E+01 Metallicity 0.3498760E+01 Ellipticity 0.3336174E-02 Gb(Abramov) 0.2300768E+00 Vb(Abramov) -0.2760617E+00 Hb(Abramov) -0.4598491E-01 Ex_ueg -0.5328049E-01 Ec_ueg -0.7755746E-02 Delta_ex -0.8081940E-01 Delta_ec 0.2469428E-01 Delta_et -0.3368816E+00 Pxc 0.6869808E+01 Qxc -0.3272798E+01 3,-1 168 3 -1 0.850047 -3.005268 1.995601 Rho 0.1443425E+00 |GRAD(Rho)| 0.4291743E-15 GRAD(Rho)x -0.3947580E-15 GRAD(Rho)y 0.1665741E-15 GRAD(Rho)z 0.2469270E-16 Laplacian 0.5650039E+00 (-1/4)Del**2(Rho)) -0.1412510E+00 Diamond 0.1085968E+01 Metallicity 0.4844165E+01 Ellipticity 0.6853741E-01 Gb(Abramov) 0.2082078E+00 Vb(Abramov) -0.2751647E+00 Hb(Abramov) -0.6695685E-01 Ex_ueg -0.5592133E-01 Ec_ueg -0.8082344E-02 Delta_ex -0.6002985E-01 Delta_ec 0.1433483E-01 Delta_et -0.1894835E+00 Pxc 0.6918950E+01 Qxc -0.4187692E+01 3,-1 169 3 -1 -1.803945 2.720983 -0.540436 Rho 0.1323129E+00 |GRAD(Rho)| 0.1757271E-15 GRAD(Rho)x 0.1603399E-15 GRAD(Rho)y 0.3455894E-18 GRAD(Rho)z -0.7190971E-16 Laplacian 0.5567899E+00 (-1/4)Del**2(Rho)) -0.1391975E+00 Diamond 0.9770305E+00 Metallicity 0.4251986E+01 Ellipticity 0.9990551E-02 Gb(Abramov) 0.1914426E+00 Vb(Abramov) -0.2436878E+00 Hb(Abramov) -0.5224514E-01 Ex_ueg -0.4979523E-01 Ec_ueg -0.7321088E-02 Delta_ex -0.5807027E-01 Delta_ec 0.1470430E-01 Delta_et -0.1923690E+00 Pxc 0.6801617E+01 Qxc -0.3949203E+01 3,-1 170 3 -1 -1.783408 -0.547175 2.818986 Rho 0.1591745E+00 |GRAD(Rho)| 0.1599872E-15 GRAD(Rho)x 0.7592126E-16 GRAD(Rho)y 0.6245005E-16 GRAD(Rho)z 0.1262215E-15 Laplacian 0.6669534E+00 (-1/4)Del**2(Rho)) -0.1667383E+00 Diamond 0.1447511E+01 Metallicity 0.4830291E+01 Ellipticity 0.2234064E-01 Gb(Abramov) 0.2453914E+00 Vb(Abramov) -0.3240444E+00 Hb(Abramov) -0.7865301E-01 Ex_ueg -0.6371126E-01 Ec_ueg -0.9033375E-02 Delta_ex -0.7264515E-01 Delta_ec 0.1660725E-01 Delta_et -0.2226765E+00 Pxc 0.7052875E+01 Qxc -0.4374304E+01 3,-1 171 3 -1 2.756871 1.783931 0.578029 Rho 0.1527865E+00 |GRAD(Rho)| 0.3108275E-13 GRAD(Rho)x -0.4290839E-14 GRAD(Rho)y 0.2246811E-13 GRAD(Rho)z -0.2104542E-13 Laplacian 0.6466351E+00 (-1/4)Del**2(Rho)) -0.1616588E+00 Diamond 0.1341461E+01 Metallicity 0.4653313E+01 Ellipticity 0.1385950E-01 Gb(Abramov) 0.2331473E+00 Vb(Abramov) -0.3046359E+00 Hb(Abramov) -0.7148856E-01 Ex_ueg -0.6032515E-01 Ec_ueg -0.8622129E-02 Delta_ex -0.6977495E-01 Delta_ec 0.1636218E-01 Delta_et -0.2184374E+00 Pxc 0.6996549E+01 Qxc -0.4264405E+01 3,-1 172 3 -1 -3.191670 0.106039 -3.139401 Rho 0.2417709E+00 |GRAD(Rho)| 0.2589518E-15 GRAD(Rho)x -0.7968886E-16 GRAD(Rho)y 0.1081221E-15 GRAD(Rho)z -0.2213941E-15 Laplacian 0.9213660E+00 (-1/4)Del**2(Rho)) -0.2303415E+00 Diamond 0.3248021E+01 Metallicity 0.7017584E+01 Ellipticity 0.4261975E-02 Gb(Abramov) 0.4229678E+00 Vb(Abramov) -0.6155940E+00 Hb(Abramov) -0.1926263E+00 Ex_ueg -0.1112390E+00 Ec_ueg -0.1456161E-01 Delta_ex -0.1113253E+00 Delta_ec 0.1993715E-01 Delta_et -0.2745723E+00 Pxc 0.7639193E+01 Qxc -0.5583813E+01 3,-1 173 3 -1 -1.781855 0.507831 -2.761197 Rho 0.1525675E+00 |GRAD(Rho)| 0.3203195E-15 GRAD(Rho)x -0.2271404E-15 GRAD(Rho)y -0.2257851E-15 GRAD(Rho)z -0.5739495E-17 Laplacian 0.6435997E+00 (-1/4)Del**2(Rho)) -0.1608999E+00 Diamond 0.1337017E+01 Metallicity 0.4664093E+01 Ellipticity 0.1404398E-01 Gb(Abramov) 0.2323420E+00 Vb(Abramov) -0.3037841E+00 Hb(Abramov) -0.7144207E-01 Ex_ueg -0.6020987E-01 Ec_ueg -0.8608071E-02 Delta_ex -0.6946331E-01 Delta_ec 0.1636338E-01 Delta_et -0.2185809E+00 Pxc 0.6994583E+01 Qxc -0.4245047E+01 3,-1 174 3 -1 -1.978456 0.887893 3.030526 Rho 0.1434785E+00 |GRAD(Rho)| 0.1890998E-15 GRAD(Rho)x -0.8979904E-16 GRAD(Rho)y -0.2714571E-16 GRAD(Rho)z -0.1641889E-15 Laplacian 0.5664610E+00 (-1/4)Del**2(Rho)) -0.1416152E+00 Diamond 0.1094325E+01 Metallicity 0.4783595E+01 Ellipticity 0.4201710E-01 Gb(Abramov) 0.2073152E+00 Vb(Abramov) -0.2730151E+00 Hb(Abramov) -0.6569991E-01 Ex_ueg -0.5547543E-01 Ec_ueg -0.8027358E-02 Delta_ex -0.6023764E-01 Delta_ec 0.1464560E-01 Delta_et -0.1939751E+00 Pxc 0.6910796E+01 Qxc -0.4113021E+01 3,-1 175 3 -1 1.134574 -2.288995 -1.988300 Rho 0.4892798E-01 |GRAD(Rho)| 0.4595161E-16 GRAD(Rho)x -0.2067444E-16 GRAD(Rho)y -0.3995647E-16 GRAD(Rho)z 0.9359415E-17 Laplacian 0.1290347E+00 (-1/4)Del**2(Rho)) -0.3225868E-01 Diamond 0.9948091E-01 Metallicity 0.3495442E+01 Ellipticity 0.1565089E-01 Gb(Abramov) 0.4029884E-01 Vb(Abramov) -0.4833900E-01 Hb(Abramov) -0.8040164E-02 Ex_ueg -0.1321685E-01 Ec_ueg -0.2355703E-02 Delta_ex -0.1215912E-01 Delta_ec 0.6694352E-02 Delta_et -0.7094998E-01 Pxc 0.5610578E+01 Qxc -0.1816326E+01 3,-1 176 3 -1 1.143386 -1.772917 -2.557078 Rho 0.3059977E+00 |GRAD(Rho)| 0.6513762E-13 GRAD(Rho)x 0.5211226E-13 GRAD(Rho)y -0.1338450E-13 GRAD(Rho)z -0.3671617E-13 Laplacian -0.1522868E+01 (-1/4)Del**2(Rho)) 0.3807171E+00 Diamond 0.5162630E+01 Metallicity -0.6287543E+01 Ellipticity 0.3141821E-02 Gb(Abramov) 0.1451511E+00 Vb(Abramov) -0.6710193E+00 Hb(Abramov) -0.5258682E+00 Ex_ueg -0.1522916E+00 Ec_ueg -0.1912077E-01 Delta_ex 0.1485484E+00 Delta_ec 0.5395506E-01 Delta_et -0.1254514E+01 Pxc 0.7964718E+01 Qxc 0.2753187E+01 3,-1 177 3 -1 1.649157 -1.733720 0.462772 Rho 0.5251360E-01 |GRAD(Rho)| 0.1609647E-15 GRAD(Rho)x -0.1067981E-16 GRAD(Rho)y 0.1405672E-15 GRAD(Rho)z 0.7769452E-16 Laplacian 0.1991882E+00 (-1/4)Del**2(Rho)) -0.4979705E-01 Diamond 0.1055065E+00 Metallicity 0.2547627E+01 Ellipticity 0.9287709E-02 Gb(Abramov) 0.5434209E-01 Vb(Abramov) -0.5888713E-01 Hb(Abramov) -0.4545039E-02 Ex_ueg -0.1452382E-01 Ec_ueg -0.2554281E-02 Delta_ex -0.1650168E-01 Delta_ec 0.5757671E-02 Delta_et -0.6143555E-01 Pxc 0.5686070E+01 Qxc -0.2866034E+01 3,-1 178 3 -1 -0.499768 -0.382248 -0.377544 Rho 0.1452104E+00 |GRAD(Rho)| 0.5086144E-16 GRAD(Rho)x 0.2953355E-16 GRAD(Rho)y -0.1733545E-16 GRAD(Rho)z -0.3760502E-16 Laplacian 0.7955261E+00 (-1/4)Del**2(Rho)) -0.1988815E+00 Diamond 0.1871083E+01 Metallicity 0.3475000E+01 Ellipticity 0.2816193E-01 Gb(Abramov) 0.2477732E+00 Vb(Abramov) -0.2966649E+00 Hb(Abramov) -0.4889171E-01 Ex_ueg -0.5637007E-01 Ec_ueg -0.8137617E-02 Delta_ex -0.8808926E-01 Delta_ec 0.2630056E-01 Delta_et -0.3616006E+00 Pxc 0.6927098E+01 Qxc -0.3349330E+01 3,-1 179 3 -1 2.753580 0.531394 1.797999 Rho 0.1326490E+00 |GRAD(Rho)| 0.2620880E-15 GRAD(Rho)x 0.9149989E-16 GRAD(Rho)y 0.1540109E-15 GRAD(Rho)z -0.1913075E-15 Laplacian 0.5594770E+00 (-1/4)Del**2(Rho)) -0.1398693E+00 Diamond 0.9876854E+00 Metallicity 0.4249499E+01 Ellipticity 0.1040187E-01 Gb(Abramov) 0.1923086E+00 Vb(Abramov) -0.2447479E+00 Hb(Abramov) -0.5243930E-01 Ex_ueg -0.4996400E-01 Ec_ueg -0.7342235E-02 Delta_ex -0.5842078E-01 Delta_ec 0.1482795E-01 Delta_et -0.1941834E+00 Pxc 0.6805012E+01 Qxc -0.3939910E+01 3,-1 180 3 -1 0.022477 -3.233309 -1.254283 Rho 0.4076320E-01 |GRAD(Rho)| 0.9379043E-17 GRAD(Rho)x -0.5162276E-17 GRAD(Rho)y 0.3994356E-17 GRAD(Rho)z 0.6735166E-17 Laplacian 0.1177958E+00 (-1/4)Del**2(Rho)) -0.2944895E-01 Diamond 0.7218882E-01 Metallicity 0.2824428E+01 Ellipticity 0.2624764E-02 Gb(Abramov) 0.3349537E-01 Vb(Abramov) -0.3754180E-01 Hb(Abramov) -0.4046422E-02 Ex_ueg -0.1036119E-01 Ec_ueg -0.1911050E-02 Delta_ex -0.1073886E-01 Delta_ec 0.6238219E-02 Delta_et -0.6266103E-01 Pxc 0.5421724E+01 Qxc -0.1721463E+01 3,-1 181 3 -1 -0.074345 -3.199981 3.171182 Rho 0.2327586E+00 |GRAD(Rho)| 0.1872311E-13 GRAD(Rho)x 0.3970850E-14 GRAD(Rho)y 0.1322423E-13 GRAD(Rho)z -0.1264543E-13 Laplacian 0.8528613E+00 (-1/4)Del**2(Rho)) -0.2132153E+00 Diamond 0.2905919E+01 Metallicity 0.7116136E+01 Ellipticity 0.2453181E-02 Gb(Abramov) 0.3950217E+00 Vb(Abramov) -0.5768281E+00 Hb(Abramov) -0.1818064E+00 Ex_ueg -0.1057449E+00 Ec_ueg -0.1393997E-01 Delta_ex -0.1022164E+00 Delta_ec 0.1899904E-01 Delta_et -0.2628115E+00 Pxc 0.7585731E+01 Qxc -0.5380082E+01 3,-1 182 3 -1 1.740486 -2.816844 -0.615670 Rho 0.2039670E+00 |GRAD(Rho)| 0.5166457E-15 GRAD(Rho)x -0.3655388E-15 GRAD(Rho)y -0.1506499E-15 GRAD(Rho)z -0.3325790E-15 Laplacian 0.8017311E+00 (-1/4)Del**2(Rho)) -0.2004328E+00 Diamond 0.2317408E+01 Metallicity 0.6074598E+01 Ellipticity 0.3537203E-02 Gb(Abramov) 0.3365466E+00 Vb(Abramov) -0.4726604E+00 Hb(Abramov) -0.1361138E+00 Ex_ueg -0.8867439E-01 Ec_ueg -0.1198393E-01 Delta_ex -0.9277951E-01 Delta_ec 0.1838734E-01 Delta_et -0.2518382E+00 Pxc 0.7399444E+01 Qxc -0.5045836E+01 3,-1 183 3 -1 -0.577153 -2.760979 1.809868 Rho 0.1450385E+00 |GRAD(Rho)| 0.1541976E-14 GRAD(Rho)x 0.9500864E-15 GRAD(Rho)y -0.1598859E-16 GRAD(Rho)z 0.1214401E-14 Laplacian 0.6108635E+00 (-1/4)Del**2(Rho)) -0.1527159E+00 Diamond 0.1173445E+01 Metallicity 0.4516559E+01 Ellipticity 0.2677279E-01 Gb(Abramov) 0.2167690E+00 Vb(Abramov) -0.2808221E+00 Hb(Abramov) -0.6405310E-01 Ex_ueg -0.5628112E-01 Ec_ueg -0.8126666E-02 Delta_ex -0.6490102E-01 Delta_ec 0.1534099E-01 Delta_et -0.2026147E+00 Pxc 0.6925487E+01 Qxc -0.4230563E+01 3,-1 184 3 -1 -3.064993 -1.942828 -0.847813 Rho 0.1572372E+00 |GRAD(Rho)| 0.1660291E-13 GRAD(Rho)x 0.7410508E-14 GRAD(Rho)y -0.9051055E-14 GRAD(Rho)z 0.1178216E-13 Laplacian 0.6208254E+00 (-1/4)Del**2(Rho)) -0.1552063E+00 Diamond 0.1337661E+01 Metallicity 0.5084357E+01 Ellipticity 0.7178248E-01 Gb(Abramov) 0.2349916E+00 Vb(Abramov) -0.3147769E+00 Hb(Abramov) -0.7978529E-01 Ex_ueg -0.6267951E-01 Ec_ueg -0.8908399E-02 Delta_ex -0.6750895E-01 Delta_ec 0.1567250E-01 Delta_et -0.2102233E+00 Pxc 0.7036001E+01 Qxc -0.4307479E+01 3,-1 185 3 -1 -3.230747 -3.103582 0.065002 Rho 0.2411678E+00 |GRAD(Rho)| 0.2551743E-10 GRAD(Rho)x -0.1773142E-10 GRAD(Rho)y -0.1764559E-10 GRAD(Rho)z 0.5036753E-11 Laplacian 0.9206396E+00 (-1/4)Del**2(Rho)) -0.2301599E+00 Diamond 0.3236605E+01 Metallicity 0.6993949E+01 Ellipticity 0.1622031E-02 Gb(Abramov) 0.4217277E+00 Vb(Abramov) -0.6132955E+00 Hb(Abramov) -0.1915678E+00 Ex_ueg -0.1108692E+00 Ec_ueg -0.1451988E-01 Delta_ex -0.1111694E+00 Delta_ec 0.1994475E-01 Delta_et -0.2746985E+00 Pxc 0.7635683E+01 Qxc -0.5573869E+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 81 122 131 183 150 168 181 167 178 81 148 109 73 132 93 112 135 162 110 134 79 104 136 177 152 182 153 94 160 90 171 115 118 114 163 147 156 169 157 103 146 56 165 55 184 60 185 119 158 173 121 120 172 149 125 170 155 174 164 82 179 154 144 139 145 107 143 138 116 75 101 142 130 100 127 176 133 180 175 129 58 159 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 18 21 21 25 28 28 36 37 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 20 36 54 27 53 54 52 52 53 2.409048 1.992208 1.901320 1.967133 1.915508 1.727995 1.651885 1.632799 1.657775 1.663568 2.322192 1.954025 1.913912 1.965120 1.926665 1.738131 2.338649 1.894415 1.932542 1.951528 1.965877 1.739477 2.363773 1.938739 1.804059 2.086970 1.986674 1.745608 2.417255 1.904614 1.929692 1.926409 1.966151 1.736336 2.368538 1.922230 1.961786 1.923668 1.936887 1.738116 2.274961 1.931909 1.976319 1.905879 1.966443 1.740972 2.279626 1.952856 1.905198 1.991429 1.932996 1.740010 2.381034 1.934637 1.890063 1.976328 1.942067 1.737849 2.396881 1.959957 1.988799 1.866406 1.926600 1.738708 2.436837 1.933742 1.911187 1.963866 1.933286 1.737534 3.289829 3.140235 3.244124 3.188911 1.007856 3.221490 1.728636 1.668754 0.995057 1.885021 1.005076 2.409634 1.992798 1.901903 1.967929 1.916206 1.728012 1.651891 1.632865 1.657787 1.663583 2.322834 1.954377 1.914344 1.965715 1.927219 1.738142 2.339238 1.894813 1.932924 1.952047 1.966466 1.739488 2.364355 1.939094 1.804171 2.087486 1.987224 1.745622 2.417861 1.904979 1.930063 1.926984 1.966719 1.736345 2.369211 1.922634 1.962121 1.924181 1.937463 1.738124 2.275736 1.932335 1.976724 1.906370 1.967539 1.740986 2.280219 1.953170 1.905544 1.991980 1.934188 1.740020 2.381669 1.935059 1.890507 1.976909 1.942647 1.737855 2.397720 1.960363 1.989188 1.866831 1.927098 1.738718 2.437352 1.934241 1.912348 1.964413 1.933832 1.737539 3.335177 3.141311 3.250394 3.192098 1.007948 3.228739 1.729178 1.672817 0.995175 1.894357 1.005202 27 28 23 26 23 21 21 21 21 24 27 25 28 25 25 25 27 27 28 23 25 23 27 25 23 25 26 23 27 23 23 25 23 25 27 23 23 23 26 22 27 23 25 23 25 21 27 23 23 24 24 21 27 27 23 23 25 22 27 24 24 25 23 23 27 27 23 23 23 22 35 33 35 35 18 35 25 23 22 27 17 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 Mo Si 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 H H H 2.3508 2.4353 2.4940 2.5033 2.4222 2.4912 2.4841 2.4906 2.5179 2.4841 2.4698 2.4703 -1.1623 -1.1191 -1.1677 -1.1761 -0.9531 -0.9711 -0.9537 -0.9601 -0.7680 -0.9559 -0.9586 -0.9236 -0.9570 -0.9264 -0.9582 -0.9016 -0.9521 -0.9691 -0.9661 -0.9623 -0.9289 -0.9644 -0.9669 -0.7788 -0.8346 -0.9644 -0.9296 -0.9618 -0.7030 -0.7833 -0.7780 -0.7853 -0.8026 -0.7799 -0.7816 -0.7818 -0.7800 -0.7818 -0.7850 0.2941 0.3325 0.2938 1.9499 2.3049 2.0980 2.0903 2.1195 2.0941 2.0983 2.1101 2.1055 2.0930 2.0989 2.1031 1.8962 1.8942 1.8949 1.8945 1.9345 1.9324 1.9335 1.9334 1.8792 1.9342 1.9347 1.9370 1.9333 1.9381 1.9337 1.9567 1.9476 1.9443 1.9440 1.9446 1.9457 1.9447 1.9445 1.8802 1.8817 1.9445 1.9474 1.9447 1.9778 1.9657 1.9675 1.9659 1.9637 1.9678 1.9669 1.9655 1.9657 1.9671 1.9662 0.5654 0.5148 0.5395 6.0750 6.6662 6.0916 6.0860 6.1091 6.0922 6.0923 6.0949 6.0872 6.0902 6.0967 6.1047 5.2377 5.1967 5.2445 5.2522 4.9879 5.0080 4.9901 4.9962 4.8567 4.9919 4.9933 4.9579 4.9937 4.9598 4.9939 4.9115 4.9726 4.9906 4.9893 4.9850 4.9523 4.9876 4.9894 4.8669 4.9211 4.9875 4.9516 4.9840 4.6917 4.7819 4.7747 4.7840 4.8045 4.7761 4.7790 4.7811 4.7790 4.7789 4.7832 0.1405 0.1526 0.1668 3.6243 0.5935 3.2864 3.2904 3.3200 3.2928 3.2956 3.2746 3.2594 3.3030 3.3051 3.2925 0.0284 0.0282 0.0283 0.0294 0.0307 0.0307 0.0301 0.0305 0.0321 0.0298 0.0306 0.0287 0.0301 0.0285 0.0306 0.0334 0.0319 0.0341 0.0327 0.0327 0.0309 0.0322 0.0330 0.0317 0.0318 0.0324 0.0306 0.0331 0.0336 0.0357 0.0358 0.0355 0.0345 0.0360 0.0357 0.0352 0.0353 0.0358 0.0357 0.0000 0.0000 0.0000 0.0000 0.0000 14.0299 14.0300 14.0292 14.0298 14.0297 14.0298 14.0300 14.0297 14.0296 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 Mo Si 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 H H H 3.183941 1.769411 2.525107 2.521654 2.494193 2.519570 2.519095 2.536419 2.545048 2.515985 2.515782 2.518000 -1.109654 -1.026240 -1.070579 -1.074502 -0.948579 -0.957909 -0.953684 -0.952614 -0.617205 -0.954428 -0.944118 -1.051613 -0.952872 -1.072348 -0.954799 -0.752811 -0.938532 -0.932917 -0.943031 -0.940228 -1.046700 -0.935368 -0.941732 -0.599782 -0.580061 -0.942222 -1.059558 -0.937541 -0.971434 -0.819582 -0.808613 -0.818432 -0.841242 -0.809941 -0.813591 -0.813999 -0.811291 -0.812967 -0.816828 0.059004 0.058487 0.047849 2.364516 1.347001 1.942003 1.937153 1.915758 1.938414 1.936661 1.950213 1.951457 1.941111 1.943119 1.943446 -0.814356 -0.732597 -0.759049 -0.762213 -0.704525 -0.719585 -0.710556 -0.713778 -0.737298 -0.718773 -0.694195 -0.813990 -0.714320 -0.811208 -0.711423 -0.623575 -0.782975 -0.770761 -0.766756 -0.775162 -0.852395 -0.754132 -0.768821 -0.756916 -0.761562 -0.776248 -0.856497 -0.770852 -0.746253 -0.707260 -0.706990 -0.718370 -0.737020 -0.707993 -0.712575 -0.700375 -0.701614 -0.708791 -0.710123 0.335407 0.271874 0.273751 2.450507 1.304742 2.039130 2.036575 2.002442 2.037650 2.034243 2.070123 2.078391 2.040640 2.040502 2.040950 -0.844608 -0.811362 -0.806103 -0.812468 -0.785559 -0.799914 -0.788020 -0.791332 -0.775763 -0.794266 -0.774380 -0.880612 -0.793038 -0.909890 -0.786326 -0.706465 -0.817952 -0.814659 -0.810125 -0.808226 -0.886220 -0.796786 -0.801664 -0.807538 -0.815648 -0.809583 -0.899881 -0.805252 -0.708731 -0.686993 -0.675029 -0.685399 -0.703316 -0.674988 -0.680729 -0.684560 -0.698970 -0.675337 -0.675699 0.451176 0.328505 0.327813 -0.03050368 -2.80849607 -1.96419798 3.42733925 -17.99415283 2.52208297 -1.78572985 11.69935879 10.71043529 6.29479404 -390.9534 408.8926 -52.9897 -398.9786 -29.4874 -463.5165 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 0 Apr21-2024 17:32:36 Nodes: 1 Procs: 1 Apr21-2024 17:32:37 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr21-2024 17:32:37 Nodes: 1 Procs: 1 Apr21-2024 17:32:38 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr21-2024 17:32:38 Nodes: 1 Procs: 1 Apr21-2024 17:32:39 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr21-2024 17:32:39 Nodes: 1 Procs: 1 Apr21-2024 17:32:40 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr21-2024 17:32:42 Nodes: 1 Procs: 28 *** (NO TITLE) *** -5 -16.48168632 -16.88992913 -16.73521020 -16.74546639 -16.91722553 -16.97460186 -17.01309043 -17.01694332 -17.01740138 -17.01956557 -17.02096306 -17.02363518 -17.02567728 -17.02511136 -17.02738098 -17.03014961 -17.03069019 -17.03178752 -17.03256314 -17.03307260 -17.03348335 -17.03356566 -17.03370636 -17.03374899 -17.03380443 -17.03383703 -17.03385344 -17.03386538 -17.03387916 -17.03388925 -17.03390590 -17.03391850 GEOMETRY CONVERGED