ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 01:53:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 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 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 01:53:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.61 0.02 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 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 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 0 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 Mar03-2024 01:53:02 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 01:53:02 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.02 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 0 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 Mar03-2024 01:53:02 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar03-2024 01:53:02 Nodes: 1 Procs: 1 Mar03-2024 01:53:03 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 01:53:04 Hydrogen (TZP) kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 0 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 Mar03-2024 01:53:02 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar03-2024 01:53:02 Nodes: 1 Procs: 1 Mar03-2024 01:53:03 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar03-2024 01:53:04 Nodes: 1 Procs: 1 Mar03-2024 01:53:04 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 01:53:05 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 1819.341499999997 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0.935391 -0.901452 0.952212 Rho 0.3187028E+03 3,-3 14 3 -3 -0.909181 -0.973776 -1.005712 Rho 0.3186806E+03 3,-3 15 3 -3 0.970827 0.955510 -1.001036 Rho 0.3186854E+03 3,-3 16 3 -3 -1.002853 1.008218 0.819391 Rho 0.3186988E+03 3,-3 17 3 -3 -2.998858 -1.129147 1.115632 Rho 0.3190560E+03 3,-3 18 3 -3 2.997833 -1.204192 -1.103476 Rho 0.3190710E+03 3,-3 19 3 -3 -2.972909 1.137503 -1.162516 Rho 0.3191764E+03 3,-3 20 3 -3 3.002921 1.156473 1.100522 Rho 0.3190393E+03 3,-3 21 3 -3 1.203446 -1.139454 -3.036600 Rho 0.3190656E+03 3,-3 22 3 -3 1.142621 1.221756 3.027269 Rho 0.3190717E+03 3,-3 23 3 -3 -1.117236 1.112121 -3.003711 Rho 0.3190166E+03 3,-3 24 3 -3 -1.211063 -1.091346 3.053055 Rho 0.3190964E+03 3,-3 25 3 -3 -1.104618 3.025614 -1.182694 Rho 0.3192304E+03 3,-3 26 3 -3 -1.117247 -2.968427 1.158055 Rho 0.3190342E+03 3,-3 27 3 -3 1.131427 3.021228 1.172352 Rho 0.3190577E+03 3,-3 28 3 -3 1.180585 -3.009385 -1.112830 Rho 0.3190836E+03 3,-3 29 3 -3 3.429081 -1.502360 1.503293 Rho 0.3192187E+03 3,-3 30 3 -3 -3.406978 -1.518821 -1.534962 Rho 0.3191502E+03 3,-3 31 3 -3 3.456076 1.528832 -1.526062 Rho 0.3191765E+03 3,-3 32 3 -3 -3.446812 1.611770 1.494334 Rho 0.3191679E+03 3,-3 33 3 -3 1.542991 -1.482506 3.406337 Rho 0.3191290E+03 3,-3 34 3 -3 1.638089 1.459471 -3.539520 Rho 0.3191705E+03 3,-3 35 3 -3 -1.551459 1.508691 3.405126 Rho 0.3191368E+03 3,-3 36 3 -3 -1.486209 -1.585664 -3.514017 Rho 0.3191786E+03 3,-3 37 3 -3 -1.492788 -3.438375 -1.572445 Rho 0.3191603E+03 3,-3 38 3 -3 -1.519893 3.471292 1.499867 Rho 0.3191847E+03 3,-3 39 3 -3 1.502632 -3.389544 1.500358 Rho 0.3192405E+03 3,-3 40 3 -3 1.513741 3.399051 -1.603238 Rho 0.3191406E+03 3,-3 41 3 -3 -0.223031 -3.623628 3.786813 Rho 0.3195534E+03 3,-3 42 3 -3 0.364576 -3.745933 -3.702925 Rho 0.3195504E+03 3,-3 43 3 -3 -0.150746 3.611555 -3.860796 Rho 0.3195634E+03 3,-3 44 3 -3 0.077973 3.775373 3.780011 Rho 0.3195570E+03 3,-3 45 3 -3 3.821998 -3.810811 -0.157156 Rho 0.3188022E+03 3,-3 46 3 -3 3.643434 3.788818 0.181286 Rho 0.3195516E+03 3,-3 47 3 -3 -3.704105 3.780531 -0.251237 Rho 0.3187986E+03 3,-3 48 3 -3 -3.648859 -3.765762 0.173727 Rho 0.3195500E+03 3,-3 49 3 -3 -3.696154 0.141477 -3.768685 Rho 0.3195582E+03 3,-3 50 3 -3 -3.891355 -0.163800 3.615855 Rho 0.3195509E+03 3,-3 51 3 -3 3.722356 0.302694 3.698818 Rho 0.3195503E+03 3,-3 52 3 -3 3.900820 -0.284743 -3.604672 Rho 0.3195642E+03 3,-3 53 3 -3 0.006228 0.011836 -0.065821 Rho 0.1943313E+04 3,-3 54 3 -3 -4.346432 3.941870 0.474109 Rho 0.4493347E+00 3,-3 55 3 -3 3.618408 -4.764353 -0.030672 Rho 0.4470494E+00 3,-3 56 3 +1 -1.688027 -0.512040 0.436430 Rho 0.8431589E-02 |GRAD(Rho)| 0.8996386E-13 GRAD(Rho)x 0.6366904E-13 GRAD(Rho)y 0.1480681E-13 GRAD(Rho)z -0.6181026E-13 Laplacian 0.3319816E-01 (-1/4)Del**2(Rho)) -0.8299541E-02 Diamond 0.8765516E-03 Metallicity 0.7250170E+00 Ellipticity -0.1443633E+01 Gb(Abramov) 0.6535912E-02 Vb(Abramov) -0.4772283E-02 Hb(Abramov) 0.1763629E-02 Ex_ueg -0.1267450E-02 Ec_ueg -0.2974513E-03 Delta_ex -0.1514490E-02 Delta_ec 0.4768566E-03 Delta_et -0.3234820E-02 Pxc 0.4261035E+01 Qxc -0.3175986E+01 3,+1 57 3 +1 -0.503815 -1.657401 0.495459 Rho 0.8867807E-02 |GRAD(Rho)| 0.4421241E-14 GRAD(Rho)x 0.3750148E-14 GRAD(Rho)y 0.1734607E-14 GRAD(Rho)z 0.1573182E-14 Laplacian 0.3513737E-01 (-1/4)Del**2(Rho)) -0.8784343E-02 Diamond 0.9698764E-03 Metallicity 0.7450824E+00 Ellipticity -0.1430247E+01 Gb(Abramov) 0.6947072E-02 Vb(Abramov) -0.5109801E-02 Hb(Abramov) 0.1837271E-02 Ex_ueg -0.1355626E-02 Ec_ueg -0.3169784E-03 Delta_ex -0.1613161E-02 Delta_ec 0.4862655E-03 Delta_et -0.3356464E-02 Pxc 0.4276716E+01 Qxc -0.3317448E+01 3,+1 58 3 -1 -1.637660 -1.759721 -0.580405 Rho 0.4769834E-01 |GRAD(Rho)| 0.5522186E-15 GRAD(Rho)x -0.3405024E-15 GRAD(Rho)y -0.4141589E-15 GRAD(Rho)z 0.1321964E-15 Laplacian 0.1899623E+00 (-1/4)Del**2(Rho)) -0.4749058E-01 Diamond 0.9038171E-01 Metallicity 0.2275714E+01 Ellipticity 0.7412095E-02 Gb(Abramov) 0.4967288E-01 Vb(Abramov) -0.5185519E-01 Hb(Abramov) -0.2182307E-02 Ex_ueg -0.1277584E-01 Ec_ueg -0.2288047E-02 Delta_ex -0.1545492E-01 Delta_ec 0.5667069E-02 Delta_et -0.5902583E-01 Pxc 0.5583730E+01 Qxc -0.2727146E+01 3,-1 59 3 +1 1.422241 1.083189 -2.237495 Rho 0.2530788E-01 |GRAD(Rho)| 0.3093675E-15 GRAD(Rho)x 0.2489780E-15 GRAD(Rho)y -0.1501567E-15 GRAD(Rho)z -0.1056938E-15 Laplacian 0.9363006E-01 (-1/4)Del**2(Rho)) -0.2340752E-01 Diamond 0.1115425E-01 Metallicity 0.1605551E+01 Ellipticity -0.2809569E+01 Gb(Abramov) 0.2186867E-01 Vb(Abramov) -0.2032983E-01 Hb(Abramov) 0.1538843E-02 Ex_ueg -0.5487731E-02 Ec_ueg -0.1104228E-02 Delta_ex -0.5703497E-02 Delta_ec 0.1340906E-02 Delta_et -0.1192722E-01 Pxc 0.4969744E+01 Qxc -0.4253467E+01 3,+1 60 3 -1 -3.078375 -3.229506 0.013752 Rho 0.2391427E+00 |GRAD(Rho)| 0.2380757E-15 GRAD(Rho)x -0.1495657E-15 GRAD(Rho)y -0.1812786E-15 GRAD(Rho)z 0.3805550E-16 Laplacian 0.8755847E+00 (-1/4)Del**2(Rho)) -0.2188962E+00 Diamond 0.3080103E+01 Metallicity 0.7251205E+01 Ellipticity 0.1790832E-02 Gb(Abramov) 0.4104743E+00 Vb(Abramov) -0.6020524E+00 Hb(Abramov) -0.1915781E+00 Ex_ueg -0.1096296E+00 Ec_ueg -0.1437987E-01 Delta_ex -0.1056721E+00 Delta_ec 0.1933159E-01 Delta_et -0.2676055E+00 Pxc 0.7623825E+01 Qxc -0.5466289E+01 3,-1 61 3 -1 -1.918289 -3.032381 -0.913478 Rho 0.1605507E+00 |GRAD(Rho)| 0.9068173E-15 GRAD(Rho)x 0.4835677E-15 GRAD(Rho)y -0.7600528E-15 GRAD(Rho)z -0.1039208E-15 Laplacian 0.6210046E+00 (-1/4)Del**2(Rho)) -0.1552511E+00 Diamond 0.1361279E+01 Metallicity 0.5262659E+01 Ellipticity 0.7007634E-01 Gb(Abramov) 0.2396731E+00 Vb(Abramov) -0.3240950E+00 Hb(Abramov) -0.8442192E-01 Ex_ueg -0.6444678E-01 Ec_ueg -0.9122294E-02 Delta_ex -0.6778029E-01 Delta_ec 0.1542102E-01 Delta_et -0.2069756E+00 Pxc 0.7064756E+01 Qxc -0.4395318E+01 3,-1 62 3 +1 -1.045251 -2.196192 -1.392891 Rho 0.2731559E-01 |GRAD(Rho)| 0.1148859E-14 GRAD(Rho)x 0.6979502E-15 GRAD(Rho)y -0.4230770E-15 GRAD(Rho)z -0.8085468E-15 Laplacian 0.1059780E+00 (-1/4)Del**2(Rho)) -0.2649450E-01 Diamond 0.1512670E-01 Metallicity 0.1610948E+01 Ellipticity -0.3649453E+01 Gb(Abramov) 0.2477655E-01 Vb(Abramov) -0.2305859E-01 Hb(Abramov) 0.1717956E-02 Ex_ueg -0.6075738E-02 Ec_ueg -0.1205992E-02 Delta_ex -0.6698146E-02 Delta_ec 0.1706642E-02 Delta_et -0.1540763E-01 Pxc 0.5037958E+01 Qxc -0.3924751E+01 3,+1 63 3 -1 -1.728695 -2.780677 0.536807 Rho 0.1479215E+00 |GRAD(Rho)| 0.2638998E-15 GRAD(Rho)x 0.1493624E-15 GRAD(Rho)y 0.1292911E-16 GRAD(Rho)z 0.2171792E-15 Laplacian 0.6160243E+00 (-1/4)Del**2(Rho)) -0.1540061E+00 Diamond 0.1213981E+01 Metallicity 0.4628080E+01 Ellipticity 0.2350667E-01 Gb(Abramov) 0.2214628E+00 Vb(Abramov) -0.2889195E+00 Hb(Abramov) -0.6745672E-01 Ex_ueg -0.5777769E-01 Ec_ueg -0.8310594E-02 Delta_ex -0.6579043E-01 Delta_ec 0.1543690E-01 Delta_et -0.2045349E+00 Pxc 0.6952294E+01 Qxc -0.4261895E+01 3,-1 64 3 +3 0.062277 2.376568 -0.076072 Rho 0.4705834E-02 |GRAD(Rho)| 0.9244471E-13 GRAD(Rho)x 0.7900259E-13 GRAD(Rho)y 0.4250280E-13 GRAD(Rho)z 0.2231875E-13 Laplacian 0.1982839E-01 (-1/4)Del**2(Rho)) -0.4957097E-02 Diamond 0.1924116E-03 Metallicity 0.4592545E+00 Ellipticity -0.3169723E+00 Gb(Abramov) 0.3684159E-02 Vb(Abramov) -0.2411222E-02 Hb(Abramov) 0.1272937E-02 Ex_ueg -0.5824167E-03 Ec_ueg -0.1342757E-03 Delta_ex -0.7390568E-03 Delta_ec 0.2041337E-03 Delta_et -0.1259564E-02 Pxc 0.4337470E+01 Qxc -0.3620455E+01 3,+3 65 3 +1 -2.131468 -1.357071 -1.171881 Rho 0.2719601E-01 |GRAD(Rho)| 0.6840273E-16 GRAD(Rho)x -0.6433749E-16 GRAD(Rho)y -0.1085688E-16 GRAD(Rho)z -0.2053654E-16 Laplacian 0.1055765E+00 (-1/4)Del**2(Rho)) -0.2639412E-01 Diamond 0.1502157E-01 Metallicity 0.1605295E+01 Ellipticity -0.3715249E+01 Gb(Abramov) 0.2465780E-01 Vb(Abramov) -0.2292148E-01 Hb(Abramov) 0.1736316E-02 Ex_ueg -0.6040303E-02 Ec_ueg -0.1199903E-02 Delta_ex -0.6669031E-02 Delta_ec 0.1707643E-02 Delta_et -0.1539936E-01 Pxc 0.5033992E+01 Qxc -0.3905401E+01 3,+1 66 3 +1 -1.747149 -1.700841 1.749176 Rho 0.1141243E-01 |GRAD(Rho)| 0.8348736E-16 GRAD(Rho)x -0.4315985E-16 GRAD(Rho)y -0.3098721E-16 GRAD(Rho)z -0.6439844E-16 Laplacian 0.5606679E-01 (-1/4)Del**2(Rho)) -0.1401670E-01 Diamond 0.2114398E-02 Metallicity 0.7110024E+00 Ellipticity -0.1262667E+01 Gb(Abramov) 0.1100545E-01 Vb(Abramov) -0.7994201E-02 Hb(Abramov) 0.3011248E-02 Ex_ueg -0.1897678E-02 Ec_ueg -0.4325131E-03 Delta_ex -0.2725063E-02 Delta_ec 0.7372404E-03 Delta_et -0.5452965E-02 Pxc 0.4387562E+01 Qxc -0.3696302E+01 3,+1 67 3 +3 -1.104770 -1.021779 1.112944 Rho 0.4656497E-02 |GRAD(Rho)| 0.2239577E-17 GRAD(Rho)x 0.1988004E-17 GRAD(Rho)y -0.9978106E-18 GRAD(Rho)z -0.2606119E-18 Laplacian 0.1792604E-01 (-1/4)Del**2(Rho)) -0.4481511E-02 Diamond 0.1156893E-03 Metallicity 0.4991461E+00 Ellipticity -0.2455429E+00 Gb(Abramov) 0.3360495E-02 Vb(Abramov) -0.2239480E-02 Hb(Abramov) 0.1121015E-02 Ex_ueg -0.5742895E-03 Ec_ueg -0.1321606E-03 Delta_ex -0.6094150E-03 Delta_ec 0.8284323E-04 Delta_et -0.6365170E-03 Pxc 0.4345392E+01 Qxc -0.7356243E+01 3,+3 68 3 +1 -0.614419 -0.427368 1.662920 Rho 0.7311697E-02 |GRAD(Rho)| 0.7895849E-17 GRAD(Rho)x -0.6122424E-17 GRAD(Rho)y -0.8800893E-18 GRAD(Rho)z 0.4907729E-17 Laplacian 0.2813020E-01 (-1/4)Del**2(Rho)) -0.7032550E-02 Diamond 0.6142867E-03 Metallicity 0.6747413E+00 Ellipticity -0.1416001E+01 Gb(Abramov) 0.5479225E-02 Vb(Abramov) -0.3925901E-02 Hb(Abramov) 0.1553325E-02 Ex_ueg -0.1048116E-02 Ec_ueg -0.2477119E-03 Delta_ex -0.1239741E-02 Delta_ec 0.4065331E-03 Delta_et -0.2655410E-02 Pxc 0.4231188E+01 Qxc -0.3049546E+01 3,+1 69 3 +1 0.570250 -0.512033 -1.718952 Rho 0.8998349E-02 |GRAD(Rho)| 0.4302555E-17 GRAD(Rho)x 0.1843066E-17 GRAD(Rho)y -0.1533414E-17 GRAD(Rho)z -0.3572636E-17 Laplacian 0.3544195E-01 (-1/4)Del**2(Rho)) -0.8860487E-02 Diamond 0.9887891E-03 Metallicity 0.7568915E+00 Ellipticity -0.1432156E+01 Gb(Abramov) 0.7024729E-02 Vb(Abramov) -0.5188971E-02 Hb(Abramov) 0.1835758E-02 Ex_ueg -0.1382300E-02 Ec_ueg -0.3228384E-03 Delta_ex -0.1629314E-02 Delta_ec 0.4835212E-03 Delta_et -0.3355664E-02 Pxc 0.4281708E+01 Qxc -0.3369686E+01 3,+1 70 3 +1 0.205544 -2.908536 0.198482 Rho 0.5480255E-02 |GRAD(Rho)| 0.6068367E-17 GRAD(Rho)x -0.5954853E-17 GRAD(Rho)y 0.1157583E-17 GRAD(Rho)z -0.1574820E-18 Laplacian 0.2308879E-01 (-1/4)Del**2(Rho)) -0.5772196E-02 Diamond 0.5656594E-03 Metallicity 0.5084091E+00 Ellipticity -0.2206970E+01 Gb(Abramov) 0.4337237E-02 Vb(Abramov) -0.2902278E-02 Hb(Abramov) 0.1434959E-02 Ex_ueg -0.7135966E-03 Ec_ueg -0.1676383E-03 Delta_ex -0.1132891E-02 Delta_ec 0.6633149E-03 Delta_et -0.3728337E-02 Pxc 0.4256763E+01 Qxc -0.1707923E+01 3,+1 71 3 -1 -0.753317 -2.020605 -3.026257 Rho 0.1012456E+00 |GRAD(Rho)| 0.2205824E-15 GRAD(Rho)x -0.2126290E-15 GRAD(Rho)y -0.1461640E-16 GRAD(Rho)z 0.5684946E-16 Laplacian 0.3973926E+00 (-1/4)Del**2(Rho)) -0.9934815E-01 Diamond 0.5023788E+00 Metallicity 0.3813765E+01 Ellipticity 0.1714441E-01 Gb(Abramov) 0.1293805E+00 Vb(Abramov) -0.1594129E+00 Hb(Abramov) -0.3003236E-01 Ex_ueg -0.3485139E-01 Ec_ueg -0.5400570E-02 Delta_ex -0.3885058E-01 Delta_ec 0.1107194E-01 Delta_et -0.1378992E+00 Pxc 0.6453281E+01 Qxc -0.3508924E+01 3,-1 72 3 +1 -0.179744 -0.245797 -2.892957 Rho 0.5572896E-02 |GRAD(Rho)| 0.2152547E-16 GRAD(Rho)x 0.1991344E-16 GRAD(Rho)y 0.7558343E-17 GRAD(Rho)z -0.3109991E-17 Laplacian 0.2306346E-01 (-1/4)Del**2(Rho)) -0.5765865E-02 Diamond 0.5344455E-03 Metallicity 0.5233878E+00 Ellipticity -0.1929812E+01 Gb(Abramov) 0.4346874E-02 Vb(Abramov) -0.2927883E-02 Hb(Abramov) 0.1418991E-02 Ex_ueg -0.7297257E-03 Ec_ueg -0.1716496E-03 Delta_ex -0.1100543E-02 Delta_ec 0.6001982E-03 Delta_et -0.3417669E-02 Pxc 0.4251253E+01 Qxc -0.1833633E+01 3,+1 73 3 +1 -1.055644 -1.382523 -2.243272 Rho 0.2601466E-01 |GRAD(Rho)| 0.2720260E-13 GRAD(Rho)x 0.1531655E-13 GRAD(Rho)y -0.1937454E-13 GRAD(Rho)z -0.1140228E-13 Laplacian 0.9782139E-01 (-1/4)Del**2(Rho)) -0.2445535E-01 Diamond 0.1243768E-01 Metallicity 0.1608951E+01 Ellipticity -0.3041471E+01 Gb(Abramov) 0.2286148E-01 Vb(Abramov) -0.2126760E-01 Hb(Abramov) 0.1593873E-02 Ex_ueg -0.5693018E-02 Ec_ueg -0.1139935E-02 Delta_ex -0.6038150E-02 Delta_ec 0.1461973E-02 Delta_et -0.1307113E-01 Pxc 0.4994159E+01 Qxc -0.4130138E+01 3,+1 74 3 +1 0.564594 -1.674117 -0.503120 Rho 0.8792401E-02 |GRAD(Rho)| 0.2367861E-15 GRAD(Rho)x 0.2076030E-15 GRAD(Rho)y -0.8797154E-16 GRAD(Rho)z 0.7231625E-16 Laplacian 0.3508032E-01 (-1/4)Del**2(Rho)) -0.8770079E-02 Diamond 0.9587155E-03 Metallicity 0.7357475E+00 Ellipticity -0.1420744E+01 Gb(Abramov) 0.6922147E-02 Vb(Abramov) -0.5074214E-02 Hb(Abramov) 0.1847932E-02 Ex_ueg -0.1340278E-02 Ec_ueg -0.3135969E-03 Delta_ex -0.1607756E-02 Delta_ec 0.4867453E-03 Delta_et -0.3351410E-02 Pxc 0.4273890E+01 Qxc -0.3303075E+01 3,+1 75 3 +1 0.441316 0.643736 1.653703 Rho 0.7398087E-02 |GRAD(Rho)| 0.9732548E-17 GRAD(Rho)x 0.8725948E-17 GRAD(Rho)y -0.1445490E-17 GRAD(Rho)z 0.4060896E-17 Laplacian 0.2856231E-01 (-1/4)Del**2(Rho)) -0.7140576E-02 Diamond 0.6357020E-03 Metallicity 0.6776711E+00 Ellipticity -0.1420059E+01 Gb(Abramov) 0.5566878E-02 Vb(Abramov) -0.3993180E-02 Hb(Abramov) 0.1573698E-02 Ex_ueg -0.1064660E-02 Ec_ueg -0.2515285E-03 Delta_ex -0.1263529E-02 Delta_ec 0.4146851E-03 Delta_et -0.2715416E-02 Pxc 0.4232762E+01 Qxc -0.3046961E+01 3,+1 76 3 +3 0.049161 -2.311380 0.024269 Rho 0.4763189E-02 |GRAD(Rho)| 0.1020321E-16 GRAD(Rho)x 0.8901759E-17 GRAD(Rho)y 0.2123951E-17 GRAD(Rho)z -0.4511436E-17 Laplacian 0.1989403E-01 (-1/4)Del**2(Rho)) -0.4973506E-02 Diamond 0.1874043E-03 Metallicity 0.4670752E+00 Ellipticity -0.3529167E+00 Gb(Abramov) 0.3702838E-02 Vb(Abramov) -0.2432169E-02 Hb(Abramov) 0.1270669E-02 Ex_ueg -0.5919006E-03 Ec_ueg -0.1367361E-03 Delta_ex -0.7350119E-03 Delta_ec 0.1891693E-03 Delta_et -0.1190165E-02 Pxc 0.4328780E+01 Qxc -0.3885471E+01 3,+3 77 3 +3 -2.331453 -0.101197 -0.133826 Rho 0.4793170E-02 |GRAD(Rho)| 0.2609725E-16 GRAD(Rho)x 0.1464576E-16 GRAD(Rho)y -0.1983525E-16 GRAD(Rho)z -0.8551674E-17 Laplacian 0.2020980E-01 (-1/4)Del**2(Rho)) -0.5052450E-02 Diamond 0.1957025E-03 Metallicity 0.4646107E+00 Ellipticity -0.5655639E+00 Gb(Abramov) 0.3759537E-02 Vb(Abramov) -0.2466624E-02 Hb(Abramov) 0.1292913E-02 Ex_ueg -0.5968733E-03 Ec_ueg -0.1380229E-03 Delta_ex -0.7515055E-03 Delta_ec 0.1986521E-03 Delta_et -0.1243004E-02 Pxc 0.4324450E+01 Qxc -0.3783023E+01 3,+3 78 3 -1 0.481132 -1.609707 1.764766 Rho 0.4487138E-01 |GRAD(Rho)| 0.7907865E-14 GRAD(Rho)x -0.2900284E-14 GRAD(Rho)y -0.4630984E-14 GRAD(Rho)z 0.5716350E-14 Laplacian 0.1737455E+00 (-1/4)Del**2(Rho)) -0.4343636E-01 Diamond 0.7631520E-01 Metallicity 0.2247236E+01 Ellipticity 0.4095230E-01 Gb(Abramov) 0.4522620E-01 Vb(Abramov) -0.4701604E-01 Hb(Abramov) -0.1789840E-02 Ex_ueg -0.1177636E-01 Ec_ueg -0.2133408E-02 Delta_ex -0.1393287E-01 Delta_ec 0.5206726E-02 Delta_et -0.5336661E-01 Pxc 0.5519975E+01 Qxc -0.2675936E+01 3,-1 79 3 +3 0.049999 -0.025405 -2.365598 Rho 0.5005009E-02 |GRAD(Rho)| 0.7125209E-14 GRAD(Rho)x 0.3198077E-14 GRAD(Rho)y 0.3637906E-14 GRAD(Rho)z 0.5225567E-14 Laplacian 0.2062585E-01 (-1/4)Del**2(Rho)) -0.5156461E-02 Diamond 0.2063517E-03 Metallicity 0.4892636E+00 Ellipticity -0.3011691E+00 Gb(Abramov) 0.3858119E-02 Vb(Abramov) -0.2559777E-02 Hb(Abramov) 0.1298342E-02 Ex_ueg -0.6323025E-03 Ec_ueg -0.1471284E-03 Delta_ex -0.7704092E-03 Delta_ec 0.1937029E-03 Delta_et -0.1236541E-02 Pxc 0.4297625E+01 Qxc -0.3977273E+01 3,+3 80 3 +1 1.687462 -0.516999 -0.526820 Rho 0.8660511E-02 |GRAD(Rho)| 0.1159774E-15 GRAD(Rho)x 0.4771811E-16 GRAD(Rho)y -0.9899905E-16 GRAD(Rho)z 0.3705299E-16 Laplacian 0.3456700E-01 (-1/4)Del**2(Rho)) -0.8641751E-02 Diamond 0.9422259E-03 Metallicity 0.7280992E+00 Ellipticity -0.1433716E+01 Gb(Abramov) 0.6809843E-02 Vb(Abramov) -0.4977935E-02 Hb(Abramov) 0.1831908E-02 Ex_ueg -0.1313539E-02 Ec_ueg -0.3076883E-03 Delta_ex -0.1585661E-02 Delta_ec 0.4930178E-03 Delta_et -0.3370481E-02 Pxc 0.4269058E+01 Qxc -0.3216234E+01 3,+1 81 3 +3 1.015722 1.138944 1.111894 Rho 0.4756579E-02 |GRAD(Rho)| 0.4467686E-14 GRAD(Rho)x 0.2629784E-14 GRAD(Rho)y 0.2774562E-14 GRAD(Rho)z -0.2312200E-14 Laplacian 0.1820383E-01 (-1/4)Del**2(Rho)) -0.4550957E-02 Diamond 0.1205995E-03 Metallicity 0.5092623E+00 Ellipticity -0.2711692E+00 Gb(Abramov) 0.3420243E-02 Vb(Abramov) -0.2289530E-02 Hb(Abramov) 0.1130714E-02 Ex_ueg -0.5908057E-03 Ec_ueg -0.1364525E-03 Delta_ex -0.6221483E-03 Delta_ec 0.8350807E-04 Delta_et -0.6457893E-03 Pxc 0.4329754E+01 Qxc -0.7450158E+01 3,+3 82 3 +1 1.300867 -1.068756 2.170231 Rho 0.2723612E-01 |GRAD(Rho)| 0.3056134E-15 GRAD(Rho)x 0.1366331E-16 GRAD(Rho)y 0.2471654E-15 GRAD(Rho)z 0.1792265E-15 Laplacian 0.1070852E+00 (-1/4)Del**2(Rho)) -0.2677129E-01 Diamond 0.1627913E-01 Metallicity 0.1586570E+01 Ellipticity -0.5569113E+01 Gb(Abramov) 0.2492662E-01 Vb(Abramov) -0.2308194E-01 Hb(Abramov) 0.1844676E-02 Ex_ueg -0.6052183E-02 Ec_ueg -0.1201945E-02 Delta_ex -0.6865065E-02 Delta_ec 0.1907079E-02 Delta_et -0.1717291E-01 Pxc 0.5035323E+01 Qxc -0.3599780E+01 3,+1 83 3 +1 0.242964 0.165781 -2.915156 Rho 0.5663957E-02 |GRAD(Rho)| 0.1416121E-12 GRAD(Rho)x -0.2273030E-14 GRAD(Rho)y 0.1411509E-12 GRAD(Rho)z 0.1119135E-13 Laplacian 0.2319092E-01 (-1/4)Del**2(Rho)) -0.5797729E-02 Diamond 0.5945372E-03 Metallicity 0.5347636E+00 Ellipticity -0.2677339E+01 Gb(Abramov) 0.4381888E-02 Vb(Abramov) -0.2966048E-02 Hb(Abramov) 0.1415841E-02 Ex_ueg -0.7456671E-03 Ec_ueg -0.1755965E-03 Delta_ex -0.1145979E-02 Delta_ec 0.6670775E-03 Delta_et -0.3785978E-02 Pxc 0.4246480E+01 Qxc -0.1717910E+01 3,+1 84 3 +3 1.140735 -1.096753 -1.098629 Rho 0.5027336E-02 |GRAD(Rho)| 0.1217986E-15 GRAD(Rho)x 0.4706783E-16 GRAD(Rho)y -0.9408055E-16 GRAD(Rho)z -0.6138706E-16 Laplacian 0.1970064E-01 (-1/4)Del**2(Rho)) -0.4925159E-02 Diamond 0.1389465E-03 Metallicity 0.5160551E+00 Ellipticity -0.1958154E+00 Gb(Abramov) 0.3707048E-02 Vb(Abramov) -0.2488938E-02 Hb(Abramov) 0.1218111E-02 Ex_ueg -0.6360661E-03 Ec_ueg -0.1480894E-03 Delta_ex -0.6819870E-03 Delta_ec 0.8734090E-04 Delta_et -0.6904809E-03 Pxc 0.4295151E+01 Qxc -0.7808334E+01 3,+3 85 3 +1 1.671761 0.547158 0.477547 Rho 0.9020774E-02 |GRAD(Rho)| 0.4804918E-17 GRAD(Rho)x -0.2166543E-17 GRAD(Rho)y 0.4257636E-17 GRAD(Rho)z -0.5156190E-18 Laplacian 0.3557281E-01 (-1/4)Del**2(Rho)) -0.8893202E-02 Diamond 0.9863256E-03 Metallicity 0.7572420E+00 Ellipticity -0.1421692E+01 Gb(Abramov) 0.7051186E-02 Vb(Abramov) -0.5209170E-02 Hb(Abramov) 0.1842016E-02 Ex_ueg -0.1386895E-02 Ec_ueg -0.3238458E-03 Delta_ex -0.1632358E-02 Delta_ec 0.4781427E-03 Delta_et -0.3326349E-02 Pxc 0.4282577E+01 Qxc -0.3413957E+01 3,+1 86 3 +3 -1.060306 1.082150 -1.192091 Rho 0.5397151E-02 |GRAD(Rho)| 0.8502871E-12 GRAD(Rho)x 0.1168022E-13 GRAD(Rho)y -0.8500912E-12 GRAD(Rho)z -0.1402545E-13 Laplacian 0.2118122E-01 (-1/4)Del**2(Rho)) -0.5295306E-02 Diamond 0.1664713E-03 Metallicity 0.5402603E+00 Ellipticity -0.4546226E+00 Gb(Abramov) 0.4007011E-02 Vb(Abramov) -0.2718717E-02 Hb(Abramov) 0.1288295E-02 Ex_ueg -0.6992049E-03 Ec_ueg -0.1640437E-03 Delta_ex -0.7493893E-03 Delta_ec 0.9662138E-04 Delta_et -0.7653899E-03 Pxc 0.4262310E+01 Qxc -0.7755937E+01 3,+3 87 3 +1 0.191643 2.926343 -0.208418 Rho 0.5274002E-02 |GRAD(Rho)| 0.2806064E-12 GRAD(Rho)x 0.1882808E-12 GRAD(Rho)y 0.7424917E-13 GRAD(Rho)z -0.1943640E-12 Laplacian 0.2211001E-01 (-1/4)Del**2(Rho)) -0.5527503E-02 Diamond 0.5278267E-03 Metallicity 0.4980329E+00 Ellipticity -0.2360298E+01 Gb(Abramov) 0.4143815E-02 Vb(Abramov) -0.2760127E-02 Hb(Abramov) 0.1383688E-02 Ex_ueg -0.6780142E-03 Ec_ueg -0.1587232E-03 Delta_ex -0.1088114E-02 Delta_ec 0.6558903E-03 Delta_et -0.3635740E-02 Pxc 0.4271676E+01 Qxc -0.1658989E+01 3,+1 88 3 -1 0.461554 2.806768 1.836016 Rho 0.1046186E+00 |GRAD(Rho)| 0.2980821E-15 GRAD(Rho)x 0.1773551E-15 GRAD(Rho)y 0.1364502E-15 GRAD(Rho)z -0.1969250E-15 Laplacian 0.4334691E+00 (-1/4)Del**2(Rho)) -0.1083673E+00 Diamond 0.5702132E+00 Metallicity 0.3692634E+01 Ellipticity 0.1741353E-01 Gb(Abramov) 0.1389383E+00 Vb(Abramov) -0.1695093E+00 Hb(Abramov) -0.3057102E-01 Ex_ueg -0.3640799E-01 Ec_ueg -0.5605667E-02 Delta_ex -0.4270554E-01 Delta_ec 0.1199347E-01 Delta_et -0.1503410E+00 Pxc 0.6494854E+01 Qxc -0.3560733E+01 3,-1 89 3 -1 -1.760654 0.446134 -2.810392 Rho 0.1148791E+00 |GRAD(Rho)| 0.8432747E-15 GRAD(Rho)x -0.1408311E-15 GRAD(Rho)y 0.6769487E-15 GRAD(Rho)z -0.4827207E-15 Laplacian 0.4805492E+00 (-1/4)Del**2(Rho)) -0.1201373E+00 Diamond 0.7059846E+00 Metallicity 0.3892933E+01 Ellipticity 0.1408682E-01 Gb(Abramov) 0.1580393E+00 Vb(Abramov) -0.1959412E+00 Hb(Abramov) -0.3790197E-01 Ex_ueg -0.4124516E-01 Ec_ueg -0.6234871E-02 Delta_ex -0.4837688E-01 Delta_ec 0.1297754E-01 Delta_et -0.1654879E+00 Pxc 0.6615238E+01 Qxc -0.3727738E+01 3,-1 90 3 +1 -1.684376 1.721312 -1.774217 Rho 0.1195777E-01 |GRAD(Rho)| 0.3277959E-15 GRAD(Rho)x -0.2291692E-15 GRAD(Rho)y 0.3967053E-16 GRAD(Rho)z 0.2309933E-15 Laplacian 0.5806995E-01 (-1/4)Del**2(Rho)) -0.1451749E-01 Diamond 0.2385205E-02 Metallicity 0.7420138E+00 Ellipticity -0.1323309E+01 Gb(Abramov) 0.1147369E-01 Vb(Abramov) -0.8429888E-02 Hb(Abramov) 0.3043800E-02 Ex_ueg -0.2019538E-02 Ec_ueg -0.4576198E-03 Delta_ex -0.2871936E-02 Delta_ec 0.7898030E-03 Delta_et -0.5889341E-02 Pxc 0.4413134E+01 Qxc -0.3636269E+01 3,+1 91 3 +3 -0.123845 0.145167 2.295987 Rho 0.4055846E-02 |GRAD(Rho)| 0.2487162E-17 GRAD(Rho)x 0.1270487E-17 GRAD(Rho)y 0.2096247E-17 GRAD(Rho)z 0.4214076E-18 Laplacian 0.1632654E-01 (-1/4)Del**2(Rho)) -0.4081635E-02 Diamond 0.1159324E-03 Metallicity 0.4353663E+00 Ellipticity -0.3781561E+00 Gb(Abramov) 0.3017258E-02 Vb(Abramov) -0.1952880E-02 Hb(Abramov) 0.1064377E-02 Ex_ueg -0.4777056E-03 Ec_ueg -0.1065111E-03 Delta_ex -0.5696259E-03 Delta_ec 0.1382906E-03 Delta_et -0.8598337E-03 Pxc 0.4485033E+01 Qxc -0.4119049E+01 3,+3 92 3 +1 2.909173 0.180435 -0.202686 Rho 0.5493784E-02 |GRAD(Rho)| 0.1219948E-15 GRAD(Rho)x 0.2766120E-16 GRAD(Rho)y -0.7247576E-16 GRAD(Rho)z 0.9415340E-16 Laplacian 0.2298579E-01 (-1/4)Del**2(Rho)) -0.5746447E-02 Diamond 0.5716422E-03 Metallicity 0.5127902E+00 Ellipticity -0.2376870E+01 Gb(Abramov) 0.4322085E-02 Vb(Abramov) -0.2897723E-02 Hb(Abramov) 0.1424362E-02 Ex_ueg -0.7159463E-03 Ec_ueg -0.1682238E-03 Delta_ex -0.1133832E-02 Delta_ec 0.6700565E-03 Delta_et -0.3764737E-02 Pxc 0.4255915E+01 Qxc -0.1692143E+01 3,+1 93 3 -1 1.798009 0.524045 -1.699272 Rho 0.4522491E-01 |GRAD(Rho)| 0.1624309E-15 GRAD(Rho)x 0.1513095E-15 GRAD(Rho)y -0.1218182E-16 GRAD(Rho)z -0.5779983E-16 Laplacian 0.1787601E+00 (-1/4)Del**2(Rho)) -0.4469003E-01 Diamond 0.7901292E-01 Metallicity 0.2212952E+01 Ellipticity 0.2394099E-01 Gb(Abramov) 0.4627617E-01 Vb(Abramov) -0.4786231E-01 Hb(Abramov) -0.1586137E-02 Ex_ueg -0.1190023E-01 Ec_ueg -0.2152676E-02 Delta_ex -0.1434601E-01 Delta_ec 0.5326175E-02 Delta_et -0.5469864E-01 Pxc 0.5528110E+01 Qxc -0.2693492E+01 3,-1 94 3 -1 2.738071 0.634792 1.773337 Rho 0.1488005E+00 |GRAD(Rho)| 0.7049301E-15 GRAD(Rho)x 0.1874924E-15 GRAD(Rho)y 0.3405072E-15 GRAD(Rho)z -0.5880713E-15 Laplacian 0.6167467E+00 (-1/4)Del**2(Rho)) -0.1541867E+00 Diamond 0.1222923E+01 Metallicity 0.4668533E+01 Ellipticity 0.1645149E-01 Gb(Abramov) 0.2227620E+00 Vb(Abramov) -0.2913374E+00 Hb(Abramov) -0.6857536E-01 Ex_ueg -0.5823592E-01 Ec_ueg -0.8366774E-02 Delta_ex -0.6595204E-01 Delta_ec 0.1541128E-01 Delta_et -0.2043130E+00 Pxc 0.6960380E+01 Qxc -0.4279464E+01 3,-1 95 3 -1 1.765269 0.670795 2.782682 Rho 0.1675477E+00 |GRAD(Rho)| 0.1404340E-15 GRAD(Rho)x 0.5472510E-16 GRAD(Rho)y -0.1271769E-15 GRAD(Rho)z -0.2351363E-16 Laplacian 0.7012054E+00 (-1/4)Del**2(Rho)) -0.1753013E+00 Diamond 0.1600346E+01 Metallicity 0.5004169E+01 Ellipticity 0.2897161E-01 Gb(Abramov) 0.2630738E+00 Vb(Abramov) -0.3508463E+00 Hb(Abramov) -0.8777249E-01 Ex_ueg -0.6821863E-01 Ec_ueg -0.9576125E-02 Delta_ex -0.7720020E-01 Delta_ec 0.1695450E-01 Delta_et -0.2280136E+00 Pxc 0.7123824E+01 Qxc -0.4553374E+01 3,-1 96 3 -1 1.669927 1.750944 -0.547287 Rho 0.4820881E-01 |GRAD(Rho)| 0.1725509E-15 GRAD(Rho)x -0.1095993E-15 GRAD(Rho)y -0.1277432E-15 GRAD(Rho)z -0.3799345E-16 Laplacian 0.1898062E+00 (-1/4)Del**2(Rho)) -0.4745156E-01 Diamond 0.9152365E-01 Metallicity 0.2318356E+01 Ellipticity 0.1525685E-01 Gb(Abramov) 0.4996930E-01 Vb(Abramov) -0.5248705E-01 Hb(Abramov) -0.2517745E-02 Ex_ueg -0.1295847E-01 Ec_ueg -0.2316105E-02 Delta_ex -0.1547900E-01 Delta_ec 0.5653873E-02 Delta_et -0.5905135E-01 Pxc 0.5594938E+01 Qxc -0.2737770E+01 3,-1 97 3 +3 2.325568 0.001209 -0.024645 Rho 0.4776750E-02 |GRAD(Rho)| 0.5598796E-17 GRAD(Rho)x 0.3531613E-17 GRAD(Rho)y 0.3916510E-17 GRAD(Rho)z 0.1880206E-17 Laplacian 0.1986927E-01 (-1/4)Del**2(Rho)) -0.4967318E-02 Diamond 0.1875537E-03 Metallicity 0.4698782E+00 Ellipticity -0.3187502E+00 Gb(Abramov) 0.3700551E-02 Vb(Abramov) -0.2433784E-02 Hb(Abramov) 0.1266767E-02 Ex_ueg -0.5941486E-03 Ec_ueg -0.1373181E-03 Delta_ex -0.7342937E-03 Delta_ec 0.1883326E-03 Delta_et -0.1186523E-02 Pxc 0.4326804E+01 Qxc -0.3898919E+01 3,+3 98 3 -1 1.975016 -0.760840 2.975292 Rho 0.1203470E+00 |GRAD(Rho)| 0.1501857E-15 GRAD(Rho)x -0.1357963E-15 GRAD(Rho)y -0.1353897E-16 GRAD(Rho)z 0.6270416E-16 Laplacian 0.4673244E+00 (-1/4)Del**2(Rho)) -0.1168311E+00 Diamond 0.7275994E+00 Metallicity 0.4325674E+01 Ellipticity 0.3477663E-01 Gb(Abramov) 0.1621163E+00 Vb(Abramov) -0.2074014E+00 Hb(Abramov) -0.4528517E-01 Ex_ueg -0.4388327E-01 Ec_ueg -0.6573303E-02 Delta_ex -0.4758962E-01 Delta_ec 0.1252185E-01 Delta_et -0.1610567E+00 Pxc 0.6675984E+01 Qxc -0.3800526E+01 3,-1 99 3 +1 2.905350 -0.193433 0.180986 Rho 0.5504770E-02 |GRAD(Rho)| 0.6097429E-17 GRAD(Rho)x -0.1674400E-17 GRAD(Rho)y -0.3986712E-17 GRAD(Rho)z -0.4298971E-17 Laplacian 0.2332443E-01 (-1/4)Del**2(Rho)) -0.5831107E-02 Diamond 0.5880972E-03 Metallicity 0.5070305E+00 Ellipticity -0.2400592E+01 Gb(Abramov) 0.4380163E-02 Vb(Abramov) -0.2929219E-02 Hb(Abramov) 0.1450944E-02 Ex_ueg -0.7178558E-03 Ec_ueg -0.1686994E-03 Delta_ex -0.1156284E-02 Delta_ec 0.6893659E-03 Delta_et -0.3871455E-02 Pxc 0.4255238E+01 Qxc -0.1677315E+01 3,+1 100 3 +1 2.170910 -1.000548 1.407428 Rho 0.2540463E-01 |GRAD(Rho)| 0.4448729E-16 GRAD(Rho)x -0.3725992E-16 GRAD(Rho)y 0.2416303E-16 GRAD(Rho)z 0.2639260E-17 Laplacian 0.9700349E-01 (-1/4)Del**2(Rho)) -0.2425087E-01 Diamond 0.1103351E-01 Metallicity 0.1559603E+01 Ellipticity -0.2283757E+01 Gb(Abramov) 0.2247087E-01 Vb(Abramov) -0.2069087E-01 Hb(Abramov) 0.1780003E-02 Ex_ueg -0.5515721E-02 Ec_ueg -0.1109108E-02 Delta_ex -0.5853117E-02 Delta_ec 0.1278431E-02 Delta_et -0.1141036E-01 Pxc 0.4973113E+01 Qxc -0.4578360E+01 3,+1 101 3 +1 -0.487193 0.487255 -1.712264 Rho 0.9483548E-02 |GRAD(Rho)| 0.2679210E-17 GRAD(Rho)x -0.2624343E-17 GRAD(Rho)y 0.5189960E-18 GRAD(Rho)z 0.1470766E-18 Laplacian 0.3802796E-01 (-1/4)Del**2(Rho)) -0.9506991E-02 Diamond 0.1154388E-02 Metallicity 0.7699481E+00 Ellipticity -0.1447632E+01 Gb(Abramov) 0.7557976E-02 Vb(Abramov) -0.5608960E-02 Hb(Abramov) 0.1949015E-02 Ex_ueg -0.1482562E-02 Ec_ueg -0.3446838E-03 Delta_ex -0.1777648E-02 Delta_ec 0.5291188E-03 Delta_et -0.3713005E-02 Pxc 0.4301223E+01 Qxc -0.3359639E+01 3,+1 102 3 +1 1.766608 -1.748947 -1.744347 Rho 0.1211505E-01 |GRAD(Rho)| 0.1444531E-16 GRAD(Rho)x -0.1181280E-17 GRAD(Rho)y -0.5316449E-17 GRAD(Rho)z 0.1337934E-16 Laplacian 0.5960636E-01 (-1/4)Del**2(Rho)) -0.1490159E-01 Diamond 0.2424999E-02 Metallicity 0.7388042E+00 Ellipticity -0.1283349E+01 Gb(Abramov) 0.1176929E-01 Vb(Abramov) -0.8636983E-02 Hb(Abramov) 0.3132304E-02 Ex_ueg -0.2055033E-02 Ec_ueg -0.4648828E-03 Delta_ex -0.2938757E-02 Delta_ec 0.7762877E-03 Delta_et -0.5832473E-02 Pxc 0.4420540E+01 Qxc -0.3785654E+01 3,+1 103 3 -1 1.903777 -0.547535 -2.741430 Rho 0.1063515E+00 |GRAD(Rho)| 0.1679541E-12 GRAD(Rho)x 0.1319109E-12 GRAD(Rho)y 0.1003597E-12 GRAD(Rho)z 0.2712965E-13 Laplacian 0.4380259E+00 (-1/4)Del**2(Rho)) -0.1095065E+00 Diamond 0.5851471E+00 Metallicity 0.3755656E+01 Ellipticity 0.1196352E-01 Gb(Abramov) 0.1415491E+00 Vb(Abramov) -0.1735917E+00 Hb(Abramov) -0.3204261E-01 Ex_ueg -0.3721428E-01 Ec_ueg -0.5711381E-02 Delta_ex -0.4328029E-01 Delta_ec 0.1200239E-01 Delta_et -0.1508303E+00 Pxc 0.6515811E+01 Qxc -0.3605972E+01 3,-1 104 3 -1 1.679848 -0.425501 1.716041 Rho 0.4523770E-01 |GRAD(Rho)| 0.6047192E-16 GRAD(Rho)x -0.2179649E-16 GRAD(Rho)y -0.1999061E-16 GRAD(Rho)z -0.5274601E-16 Laplacian 0.1753487E+00 (-1/4)Del**2(Rho)) -0.4383718E-01 Diamond 0.7785247E-01 Metallicity 0.2257068E+01 Ellipticity 0.2715187E-01 Gb(Abramov) 0.4571537E-01 Vb(Abramov) -0.4759356E-01 Hb(Abramov) -0.1878191E-02 Ex_ueg -0.1190472E-01 Ec_ueg -0.2153373E-02 Delta_ex -0.1408887E-01 Delta_ec 0.5252451E-02 Delta_et -0.5395124E-01 Pxc 0.5528403E+01 Qxc -0.2682343E+01 3,-1 105 3 -1 3.077265 3.241233 0.047344 Rho 0.2392081E+00 |GRAD(Rho)| 0.1437295E-15 GRAD(Rho)x 0.8370041E-16 GRAD(Rho)y -0.1051134E-15 GRAD(Rho)z 0.5102526E-16 Laplacian 0.8742601E+00 (-1/4)Del**2(Rho)) -0.2185650E+00 Diamond 0.3077706E+01 Metallicity 0.7265500E+01 Ellipticity 0.3323772E-02 Gb(Abramov) 0.4103741E+00 Vb(Abramov) -0.6021831E+00 Hb(Abramov) -0.1918090E+00 Ex_ueg -0.1096696E+00 Ec_ueg -0.1438439E-01 Delta_ex -0.1055264E+00 Delta_ec 0.1931272E-01 Delta_et -0.2673993E+00 Pxc 0.7624209E+01 Qxc -0.5464089E+01 3,-1 106 3 +1 0.494142 1.717125 0.476493 Rho 0.8390422E-02 |GRAD(Rho)| 0.3440763E-14 GRAD(Rho)x -0.3053633E-14 GRAD(Rho)y -0.1493624E-14 GRAD(Rho)z 0.5322276E-15 Laplacian 0.3272082E-01 (-1/4)Del**2(Rho)) -0.8180206E-02 Diamond 0.8504294E-03 Metallicity 0.7296175E+00 Ellipticity -0.1442309E+01 Gb(Abramov) 0.6448208E-02 Vb(Abramov) -0.4716209E-02 Hb(Abramov) 0.1731998E-02 Ex_ueg -0.1259206E-02 Ec_ueg -0.2956128E-03 Delta_ex -0.1487254E-02 Delta_ec 0.4635333E-03 Delta_et -0.3145644E-02 Pxc 0.4259647E+01 Qxc -0.3208515E+01 3,+1 107 3 -1 3.659848 -4.552501 -0.057418 Rho 0.3274206E+00 |GRAD(Rho)| 0.8299048E-15 GRAD(Rho)x -0.1442256E-15 GRAD(Rho)y 0.8150702E-15 GRAD(Rho)z 0.6001345E-16 Laplacian -0.1774263E+01 (-1/4)Del**2(Rho)) 0.4435656E+00 Diamond 0.6276196E+01 Metallicity -0.6040949E+01 Ellipticity 0.1200432E-02 Gb(Abramov) 0.1508825E+00 Vb(Abramov) -0.7453306E+00 Hb(Abramov) -0.5944481E+00 Ex_ueg -0.1666708E+00 Ec_ueg -0.2069224E-01 Delta_ex 0.1786257E+00 Delta_ec 0.6129064E-01 Delta_et -0.1470927E+01 Pxc 0.8054753E+01 Qxc 0.2914404E+01 3,-1 108 3 -1 -2.920055 -2.023663 -0.885371 Rho 0.1145608E+00 |GRAD(Rho)| 0.1000844E-15 GRAD(Rho)x -0.8321252E-17 GRAD(Rho)y 0.9488124E-16 GRAD(Rho)z -0.3074391E-16 Laplacian 0.4423461E+00 (-1/4)Del**2(Rho)) -0.1105865E+00 Diamond 0.6498921E+00 Metallicity 0.4209633E+01 Ellipticity 0.2761713E-01 Gb(Abramov) 0.1513125E+00 Vb(Abramov) -0.1920384E+00 Hb(Abramov) -0.4072595E-01 Ex_ueg -0.4109286E-01 Ec_ueg -0.6215237E-02 Delta_ex -0.4453306E-01 Delta_ec 0.1200949E-01 Delta_et -0.1531526E+00 Pxc 0.6611632E+01 Qxc -0.3708155E+01 3,-1 109 3 -1 -2.710156 -1.828425 0.502280 Rho 0.1010200E+00 |GRAD(Rho)| 0.1598536E-12 GRAD(Rho)x 0.2696302E-13 GRAD(Rho)y -0.1260346E-12 GRAD(Rho)z -0.9455924E-13 Laplacian 0.4233041E+00 (-1/4)Del**2(Rho)) -0.1058260E+00 Diamond 0.5334349E+00 Metallicity 0.3567029E+01 Ellipticity 0.1380754E-01 Gb(Abramov) 0.1334648E+00 Vb(Abramov) -0.1611035E+00 Hb(Abramov) -0.2763873E-01 Ex_ueg -0.3474789E-01 Ec_ueg -0.5386884E-02 Delta_ex -0.4135784E-01 Delta_ec 0.1179176E-01 Delta_et -0.1467900E+00 Pxc 0.6450462E+01 Qxc -0.3507350E+01 3,-1 110 3 -1 -3.093736 3.143285 -0.124534 Rho 0.1555484E+00 |GRAD(Rho)| 0.3491879E-13 GRAD(Rho)x -0.3272905E-13 GRAD(Rho)y 0.1268083E-14 GRAD(Rho)z 0.1210466E-13 Laplacian 0.5955299E+00 (-1/4)Del**2(Rho)) -0.1488825E+00 Diamond 0.1285109E+01 Metallicity 0.5205777E+01 Ellipticity 0.1402551E+00 Gb(Abramov) 0.2284298E+00 Vb(Abramov) -0.3079771E+00 Hb(Abramov) -0.7954732E-01 Ex_ueg -0.6178349E-01 Ec_ueg -0.8799632E-02 Delta_ex -0.6476134E-01 Delta_ec 0.1538790E-01 Delta_et -0.2068648E+00 Pxc 0.7021145E+01 Qxc -0.4208588E+01 3,-1 111 3 -1 -2.723178 0.454851 -1.861616 Rho 0.8586240E-01 |GRAD(Rho)| 0.3020642E-12 GRAD(Rho)x -0.1926745E-12 GRAD(Rho)y 0.2265434E-12 GRAD(Rho)z 0.5289060E-13 Laplacian 0.3555658E+00 (-1/4)Del**2(Rho)) -0.8889144E-01 Diamond 0.3719939E+00 Metallicity 0.3238657E+01 Ellipticity 0.9657097E-02 Gb(Abramov) 0.1072424E+00 Vb(Abramov) -0.1255934E+00 Hb(Abramov) -0.1835100E-01 Ex_ueg -0.2797622E-01 Ec_ueg -0.4476928E-02 Delta_ex -0.3354160E-01 Delta_ec 0.1040119E-01 Delta_et -0.1253249E+00 Pxc 0.6248978E+01 Qxc -0.3224786E+01 3,-1 112 3 +1 -0.154379 -2.881201 -0.178126 Rho 0.5531125E-02 |GRAD(Rho)| 0.7240539E-17 GRAD(Rho)x 0.6223551E-17 GRAD(Rho)y 0.3509881E-17 GRAD(Rho)z -0.1171983E-17 Laplacian 0.2302144E-01 (-1/4)Del**2(Rho)) -0.5755359E-02 Diamond 0.5948577E-03 Metallicity 0.5178093E+00 Ellipticity -0.2848237E+01 Gb(Abramov) 0.4333603E-02 Vb(Abramov) -0.2911846E-02 Hb(Abramov) 0.1421757E-02 Ex_ueg -0.7224420E-03 Ec_ueg -0.1698404E-03 Delta_ex -0.1151004E-02 Delta_ec 0.6958535E-03 Delta_et -0.3906880E-02 Pxc 0.4253653E+01 Qxc -0.1654089E+01 3,+1 113 3 +1 -1.397987 1.154214 2.080727 Rho 0.2314083E-01 |GRAD(Rho)| 0.9994847E-15 GRAD(Rho)x 0.9648867E-15 GRAD(Rho)y -0.1874488E-15 GRAD(Rho)z 0.1811804E-15 Laplacian 0.8707601E-01 (-1/4)Del**2(Rho)) -0.2176900E-01 Diamond 0.1028040E-01 Metallicity 0.1487121E+01 Ellipticity -0.3883100E+01 Gb(Abramov) 0.1990819E-01 Vb(Abramov) -0.1804738E-01 Hb(Abramov) 0.1860810E-02 Ex_ueg -0.4870315E-02 Ec_ueg -0.9955713E-03 Delta_ex -0.5310211E-02 Delta_ec 0.1486380E-02 Delta_et -0.1287094E-01 Pxc 0.4891980E+01 Qxc -0.3572579E+01 3,+1 114 3 -1 -0.004661 -2.899766 -0.021180 Rho 0.5563235E-02 |GRAD(Rho)| 0.8223676E-17 GRAD(Rho)x 0.6216325E-17 GRAD(Rho)y 0.1264488E-17 GRAD(Rho)z -0.5233281E-17 Laplacian 0.2261436E-01 (-1/4)Del**2(Rho)) -0.5653590E-02 Diamond 0.7139671E-03 Metallicity 0.5322404E+00 Ellipticity 0.2544656E+01 Gb(Abramov) 0.4270572E-02 Vb(Abramov) -0.2887553E-02 Hb(Abramov) 0.1383019E-02 Ex_ueg -0.7280394E-03 Ec_ueg -0.1712310E-03 Delta_ex -0.1232673E-02 Delta_ec 0.8633757E-03 Delta_et -0.4781077E-02 Pxc 0.4251796E+01 Qxc -0.1427736E+01 3,-1 115 3 -1 -0.101379 -3.040491 3.254748 Rho 0.2393983E+00 |GRAD(Rho)| 0.6932596E-15 GRAD(Rho)x -0.9753754E-16 GRAD(Rho)y -0.5750608E-15 GRAD(Rho)z 0.3747003E-15 Laplacian 0.8680097E+00 (-1/4)Del**2(Rho)) -0.2170024E+00 Diamond 0.3064104E+01 Metallicity 0.7327519E+01 Ellipticity 0.3200570E-02 Gb(Abramov) 0.4096832E+00 Vb(Abramov) -0.6023639E+00 Hb(Abramov) -0.1926807E+00 Ex_ueg -0.1097859E+00 Ec_ueg -0.1439753E-01 Delta_ex -0.1048230E+00 Delta_ec 0.1922236E-01 Delta_et -0.2663856E+00 Pxc 0.7625327E+01 Qxc -0.5453179E+01 3,-1 116 3 -1 -0.423300 -1.718357 -1.740305 Rho 0.4800307E-01 |GRAD(Rho)| 0.4863773E-16 GRAD(Rho)x -0.4448850E-16 GRAD(Rho)y 0.1940341E-16 GRAD(Rho)z 0.3147998E-17 Laplacian 0.1876528E+00 (-1/4)Del**2(Rho)) -0.4691320E-01 Diamond 0.9001646E-01 Metallicity 0.2328305E+01 Ellipticity 0.1230999E-01 Gb(Abramov) 0.4948017E-01 Vb(Abramov) -0.5204714E-01 Hb(Abramov) -0.2566973E-02 Ex_ueg -0.1288478E-01 Ec_ueg -0.2304792E-02 Delta_ex -0.1528950E-01 Delta_ec 0.5594434E-02 Delta_et -0.5836609E-01 Pxc 0.5590432E+01 Qxc -0.2732984E+01 3,-1 117 3 -1 0.221340 -3.177753 -3.159183 Rho 0.2386715E+00 |GRAD(Rho)| 0.2114540E-13 GRAD(Rho)x -0.3493977E-14 GRAD(Rho)y 0.1568824E-13 GRAD(Rho)z 0.1374042E-13 Laplacian 0.8732130E+00 (-1/4)Del**2(Rho)) -0.2183033E+00 Diamond 0.3065823E+01 Metallicity 0.7247037E+01 Ellipticity 0.2663052E-02 Gb(Abramov) 0.4092108E+00 Vb(Abramov) -0.6001183E+00 Hb(Abramov) -0.1909075E+00 Ex_ueg -0.1093417E+00 Ec_ueg -0.1434732E-01 Delta_ex -0.1053388E+00 Delta_ec 0.1930338E-01 Delta_et -0.2672533E+00 Pxc 0.7621050E+01 Qxc -0.5457013E+01 3,-1 118 3 +1 1.226832 2.160397 -1.301435 Rho 0.2866290E-01 |GRAD(Rho)| 0.7647307E-16 GRAD(Rho)x 0.4209428E-16 GRAD(Rho)y 0.6201241E-16 GRAD(Rho)z 0.1518761E-16 Laplacian 0.1152453E+00 (-1/4)Del**2(Rho)) -0.2881132E-01 Diamond 0.1935468E-01 Metallicity 0.1605179E+01 Ellipticity -0.8268252E+01 Gb(Abramov) 0.2691543E-01 Vb(Abramov) -0.2501955E-01 Hb(Abramov) 0.1895885E-02 Ex_ueg -0.6478560E-02 Ec_ueg -0.1274846E-02 Delta_ex -0.7540257E-02 Delta_ec 0.2142815E-02 Delta_et -0.1952684E-01 Pxc 0.5081836E+01 Qxc -0.3518856E+01 3,+1 119 3 -1 0.599759 1.644001 -1.826595 Rho 0.5099506E-01 |GRAD(Rho)| 0.2544136E-13 GRAD(Rho)x -0.5836368E-14 GRAD(Rho)y 0.1514147E-13 GRAD(Rho)z -0.1959427E-13 Laplacian 0.2036095E+00 (-1/4)Del**2(Rho)) -0.5090237E-01 Diamond 0.1059177E+00 Metallicity 0.2373351E+01 Ellipticity 0.5853758E-02 Gb(Abramov) 0.5406978E-01 Vb(Abramov) -0.5723719E-01 Hb(Abramov) -0.3167411E-02 Ex_ueg -0.1396655E-01 Ec_ueg -0.2469951E-02 Delta_ex -0.1683883E-01 Delta_ec 0.6058368E-02 Delta_et -0.6421105E-01 Pxc 0.5654588E+01 Qxc -0.2779433E+01 3,-1 120 3 -1 0.467640 1.874950 2.796644 Rho 0.1034531E+00 |GRAD(Rho)| 0.2275863E-12 GRAD(Rho)x 0.1591771E-12 GRAD(Rho)y -0.1550596E-12 GRAD(Rho)z 0.4913959E-13 Laplacian 0.4358322E+00 (-1/4)Del**2(Rho)) -0.1089581E+00 Diamond 0.5669487E+00 Metallicity 0.3604674E+01 Ellipticity 0.1626222E-01 Gb(Abramov) 0.1380984E+00 Vb(Abramov) -0.1672388E+00 Hb(Abramov) -0.2914037E-01 Ex_ueg -0.3586819E-01 Ec_ueg -0.5534697E-02 Delta_ex -0.4284751E-01 Delta_ec 0.1212747E-01 Delta_et -0.1517405E+00 Pxc 0.6480607E+01 Qxc -0.3533094E+01 3,-1 121 3 -1 0.988433 1.887124 -3.139557 Rho 0.1668333E+00 |GRAD(Rho)| 0.7169028E-13 GRAD(Rho)x 0.3496267E-13 GRAD(Rho)y -0.5636386E-13 GRAD(Rho)z 0.2720704E-13 Laplacian 0.6424494E+00 (-1/4)Del**2(Rho)) -0.1606123E+00 Diamond 0.1475931E+01 Metallicity 0.5423071E+01 Ellipticity 0.7540678E-01 Gb(Abramov) 0.2522436E+00 Vb(Abramov) -0.3438748E+00 Hb(Abramov) -0.9163125E-01 Ex_ueg -0.6783105E-01 Ec_ueg -0.9529654E-02 Delta_ex -0.7080434E-01 Delta_ec 0.1581633E-01 Delta_et -0.2133302E+00 Pxc 0.7117893E+01 Qxc -0.4476661E+01 3,-1 122 3 -1 1.968429 -2.964598 0.930981 Rho 0.1863068E+00 |GRAD(Rho)| 0.2888797E-14 GRAD(Rho)x -0.8183016E-16 GRAD(Rho)y -0.2825539E-14 GRAD(Rho)z 0.5956336E-15 Laplacian 0.7222731E+00 (-1/4)Del**2(Rho)) -0.1805683E+00 Diamond 0.1897704E+01 Metallicity 0.5798195E+01 Ellipticity 0.5887521E-01 Gb(Abramov) 0.2948738E+00 Vb(Abramov) -0.4091794E+00 Hb(Abramov) -0.1143056E+00 Ex_ueg -0.7858806E-01 Ec_ueg -0.1080693E-01 Delta_ex -0.8186326E-01 Delta_ec 0.1731645E-01 Delta_et -0.2365015E+00 Pxc 0.7272008E+01 Qxc -0.4727485E+01 3,-1 123 3 -1 1.813857 -2.759033 -0.451921 Rho 0.1129603E+00 |GRAD(Rho)| 0.1556873E-14 GRAD(Rho)x -0.4430931E-15 GRAD(Rho)y -0.1251029E-14 GRAD(Rho)z -0.8139106E-15 Laplacian 0.4720154E+00 (-1/4)Del**2(Rho)) -0.1180039E+00 Diamond 0.6758830E+00 Metallicity 0.3853603E+01 Ellipticity 0.2681658E-01 Gb(Abramov) 0.1544592E+00 Vb(Abramov) -0.1909146E+00 Hb(Abramov) -0.3645538E-01 Ex_ueg -0.4032921E-01 Ec_ueg -0.6116619E-02 Delta_ex -0.4727547E-01 Delta_ec 0.1270179E-01 Delta_et -0.1613359E+00 Pxc 0.6593382E+01 Qxc -0.3721953E+01 3,-1 124 3 -1 3.189125 -3.227746 0.062218 Rho 0.1589388E+00 |GRAD(Rho)| 0.8737628E-16 GRAD(Rho)x 0.8337515E-16 GRAD(Rho)y -0.1951564E-16 GRAD(Rho)z -0.1738789E-16 Laplacian 0.6049671E+00 (-1/4)Del**2(Rho)) -0.1512418E+00 Diamond 0.1327416E+01 Metallicity 0.5312081E+01 Ellipticity 0.1282217E+00 Gb(Abramov) 0.2347293E+00 Vb(Abramov) -0.3182168E+00 Hb(Abramov) -0.8348751E-01 Ex_ueg -0.6358554E-01 Ec_ueg -0.9018161E-02 Delta_ex -0.6602399E-01 Delta_ec 0.1534553E-01 Delta_et -0.2064149E+00 Pxc 0.7050832E+01 Qxc -0.4302492E+01 3,-1 125 3 +1 -2.925540 -0.238355 -0.273402 Rho 0.5384460E-02 |GRAD(Rho)| 0.2701153E-15 GRAD(Rho)x -0.1868898E-15 GRAD(Rho)y 0.1313283E-15 GRAD(Rho)z 0.1441783E-15 Laplacian 0.2276049E-01 (-1/4)Del**2(Rho)) -0.5690122E-02 Diamond 0.4782070E-03 Metallicity 0.5008048E+00 Ellipticity -0.1643347E+01 Gb(Abramov) 0.4268355E-02 Vb(Abramov) -0.2846588E-02 Hb(Abramov) 0.1421767E-02 Ex_ueg -0.6970136E-03 Ec_ueg -0.1634950E-03 Delta_ex -0.1057021E-02 Delta_ec 0.5542588E-03 Delta_et -0.3142850E-02 Pxc 0.4263210E+01 Qxc -0.1907090E+01 3,+1 126 3 -1 -1.942220 -0.978423 -3.086097 Rho 0.1693484E+00 |GRAD(Rho)| 0.5969341E-11 GRAD(Rho)x 0.3289032E-11 GRAD(Rho)y -0.4161476E-11 GRAD(Rho)z -0.2738142E-11 Laplacian 0.6516820E+00 (-1/4)Del**2(Rho)) -0.1629205E+00 Diamond 0.1524639E+01 Metallicity 0.5481244E+01 Ellipticity 0.7113196E-01 Gb(Abramov) 0.2574482E+00 Vb(Abramov) -0.3519759E+00 Hb(Abramov) -0.9452768E-01 Ex_ueg -0.6919793E-01 Ec_ueg -0.9693385E-02 Delta_ex -0.7209364E-01 Delta_ec 0.1598719E-01 Delta_et -0.2160293E+00 Pxc 0.7138675E+01 Qxc -0.4509462E+01 3,-1 127 3 -1 -1.664862 -0.620943 -1.786207 Rho 0.4970565E-01 |GRAD(Rho)| 0.2230461E-16 GRAD(Rho)x 0.8028602E-17 GRAD(Rho)y 0.2023593E-16 GRAD(Rho)z -0.4852228E-17 Laplacian 0.1998630E+00 (-1/4)Del**2(Rho)) -0.4996576E-01 Diamond 0.1005776E+00 Metallicity 0.2316809E+01 Ellipticity 0.8209168E-02 Gb(Abramov) 0.5260403E-01 Vb(Abramov) -0.5524230E-01 Hb(Abramov) -0.2638270E-02 Ex_ueg -0.1349769E-01 Ec_ueg -0.2398610E-02 Delta_ex -0.1642990E-01 Delta_ec 0.5960937E-02 Delta_et -0.6276157E-01 Pxc 0.5627296E+01 Qxc -0.2756261E+01 3,-1 128 3 -1 -1.919178 -0.488097 2.736669 Rho 0.9662889E-01 |GRAD(Rho)| 0.2653654E-15 GRAD(Rho)x -0.1424608E-15 GRAD(Rho)y 0.2166609E-15 GRAD(Rho)z -0.5640731E-16 Laplacian 0.4058190E+00 (-1/4)Del**2(Rho)) -0.1014548E+00 Diamond 0.4868687E+00 Metallicity 0.3455088E+01 Ellipticity 0.1803169E-01 Gb(Abramov) 0.1260590E+00 Vb(Abramov) -0.1506633E+00 Hb(Abramov) -0.2460426E-01 Ex_ueg -0.3274872E-01 Ec_ueg -0.5121299E-02 Delta_ex -0.3928093E-01 Delta_ec 0.1148490E-01 Delta_et -0.1417834E+00 Pxc 0.6394613E+01 Qxc -0.3420224E+01 3,-1 129 3 -1 -2.844500 -0.521273 1.723915 Rho 0.1615374E+00 |GRAD(Rho)| 0.1158112E-13 GRAD(Rho)x 0.2940366E-14 GRAD(Rho)y -0.1119905E-13 GRAD(Rho)z -0.2403676E-15 Laplacian 0.6675673E+00 (-1/4)Del**2(Rho)) -0.1668918E+00 Diamond 0.1450279E+01 Metallicity 0.4945839E+01 Ellipticity 0.3162709E-01 Gb(Abramov) 0.2488312E+00 Vb(Abramov) -0.3307706E+00 Hb(Abramov) -0.8193941E-01 Ex_ueg -0.6497544E-01 Ec_ueg -0.9186119E-02 Delta_ex -0.7275792E-01 Delta_ec 0.1616677E-01 Delta_et -0.2161601E+00 Pxc 0.7073220E+01 Qxc -0.4500460E+01 3,-1 130 3 -1 -1.828954 0.587469 1.591501 Rho 0.3779235E-01 |GRAD(Rho)| 0.8810205E-14 GRAD(Rho)x 0.2627966E-14 GRAD(Rho)y -0.1344169E-14 GRAD(Rho)z -0.8301007E-14 Laplacian 0.1494311E+00 (-1/4)Del**2(Rho)) -0.3735778E-01 Diamond 0.5179988E-01 Metallicity 0.1962661E+01 Ellipticity 0.1331230E-01 Gb(Abramov) 0.3712530E-01 Vb(Abramov) -0.3689281E-01 Hb(Abramov) 0.2324842E-03 Ex_ueg -0.9366779E-02 Ec_ueg -0.1752122E-02 Delta_ex -0.1147290E-01 Delta_ec 0.4463998E-02 Delta_et -0.4368842E-01 Pxc 0.5345964E+01 Qxc -0.2570095E+01 3,-1 131 3 +1 -0.453079 1.701351 -0.648198 Rho 0.9369125E-02 |GRAD(Rho)| 0.1882478E-16 GRAD(Rho)x -0.1670178E-16 GRAD(Rho)y -0.3323045E-17 GRAD(Rho)z 0.8023740E-17 Laplacian 0.3792947E-01 (-1/4)Del**2(Rho)) -0.9482366E-02 Diamond 0.1125259E-02 Metallicity 0.7564871E+00 Ellipticity -0.1424843E+01 Gb(Abramov) 0.7517126E-02 Vb(Abramov) -0.5551885E-02 Hb(Abramov) 0.1965241E-02 Ex_ueg -0.1458760E-02 Ec_ueg -0.3395229E-03 Delta_ex -0.1764646E-02 Delta_ec 0.5225671E-03 Delta_et -0.3659846E-02 Pxc 0.4296499E+01 Qxc -0.3376880E+01 3,+1 132 3 +1 -1.094420 2.193705 1.325203 Rho 0.2737262E-01 |GRAD(Rho)| 0.3733568E-16 GRAD(Rho)x 0.3347856E-17 GRAD(Rho)y 0.2694203E-16 GRAD(Rho)z 0.2562951E-16 Laplacian 0.1066264E+00 (-1/4)Del**2(Rho)) -0.2665659E-01 Diamond 0.1422618E-01 Metallicity 0.1606729E+01 Ellipticity -0.2750743E+01 Gb(Abramov) 0.2490938E-01 Vb(Abramov) -0.2316217E-01 Hb(Abramov) 0.1747212E-02 Ex_ueg -0.6092660E-02 Ec_ueg -0.1208898E-02 Delta_ex -0.6643140E-02 Delta_ec 0.1538916E-02 Delta_et -0.1393114E-01 Pxc 0.5039845E+01 Qxc -0.4316767E+01 3,+1 133 3 -1 -0.953114 2.012852 2.997011 Rho 0.1598005E+00 |GRAD(Rho)| 0.9669872E-13 GRAD(Rho)x 0.6439642E-13 GRAD(Rho)y 0.6454317E-13 GRAD(Rho)z -0.3221681E-13 Laplacian 0.6217938E+00 (-1/4)Del**2(Rho)) -0.1554484E+00 Diamond 0.1350968E+01 Metallicity 0.5215111E+01 Ellipticity 0.6551361E-01 Gb(Abramov) 0.2387458E+00 Vb(Abramov) -0.3220431E+00 Hb(Abramov) -0.8329734E-01 Ex_ueg -0.6404558E-01 Ec_ueg -0.9073809E-02 Delta_ex -0.6774735E-01 Delta_ec 0.1538714E-01 Delta_et -0.2062164E+00 Pxc 0.7058290E+01 Qxc -0.4402855E+01 3,-1 134 3 -1 -0.457676 2.706373 -1.917238 Rho 0.7843346E-01 |GRAD(Rho)| 0.3413423E-13 GRAD(Rho)x 0.2105437E-13 GRAD(Rho)y -0.6920223E-14 GRAD(Rho)z -0.2596092E-13 Laplacian 0.3208203E+00 (-1/4)Del**2(Rho)) -0.8020508E-01 Diamond 0.2999191E+00 Metallicity 0.3086884E+01 Ellipticity 0.2516568E-01 Gb(Abramov) 0.9473401E-01 Vb(Abramov) -0.1092629E+00 Hb(Abramov) -0.1452893E-01 Ex_ueg -0.2479630E-01 Ec_ueg -0.4038361E-02 Delta_ex -0.2963109E-01 Delta_ec 0.9524615E-02 Delta_et -0.1124433E+00 Pxc 0.6140189E+01 Qxc -0.3111002E+01 3,-1 135 3 -1 -0.934734 3.051042 1.993743 Rho 0.1676170E+00 |GRAD(Rho)| 0.2621919E-15 GRAD(Rho)x -0.4342230E-16 GRAD(Rho)y 0.1146815E-15 GRAD(Rho)z 0.2317482E-15 Laplacian 0.6464618E+00 (-1/4)Del**2(Rho)) -0.1616155E+00 Diamond 0.1495032E+01 Metallicity 0.5431672E+01 Ellipticity 0.6775349E-01 Gb(Abramov) 0.2540507E+00 Vb(Abramov) -0.3464859E+00 Hb(Abramov) -0.9243521E-01 Ex_ueg -0.6825624E-01 Ec_ueg -0.9580632E-02 Delta_ex -0.7134280E-01 Delta_ec 0.1591895E-01 Delta_et -0.2148963E+00 Pxc 0.7124398E+01 Qxc -0.4481626E+01 3,-1 136 3 -1 -0.630957 -1.688328 2.841913 Rho 0.1738872E+00 |GRAD(Rho)| 0.1623190E-13 GRAD(Rho)x 0.2534350E-14 GRAD(Rho)y -0.1422435E-13 GRAD(Rho)z 0.7397261E-14 Laplacian 0.7194550E+00 (-1/4)Del**2(Rho)) -0.1798638E+00 Diamond 0.1712548E+01 Metallicity 0.5188662E+01 Ellipticity 0.3710857E-01 Gb(Abramov) 0.2754512E+00 Vb(Abramov) -0.3710386E+00 Hb(Abramov) -0.9558745E-01 Ex_ueg -0.7168172E-01 Ec_ueg -0.9989789E-02 Delta_ex -0.7991554E-01 Delta_ec 0.1716442E-01 Delta_et -0.2315944E+00 Pxc 0.7175498E+01 Qxc -0.4655884E+01 3,-1 137 3 +1 -0.176949 0.205988 2.961657 Rho 0.4897521E-02 |GRAD(Rho)| 0.6862680E-17 GRAD(Rho)x -0.6766866E-17 GRAD(Rho)y 0.9644881E-18 GRAD(Rho)z 0.6129096E-18 Laplacian 0.1997897E-01 (-1/4)Del**2(Rho)) -0.4994742E-02 Diamond 0.4412045E-03 Metallicity 0.4871550E+00 Ellipticity -0.2432991E+01 Gb(Abramov) 0.3735364E-02 Vb(Abramov) -0.2475985E-02 Hb(Abramov) 0.1259378E-02 Ex_ueg -0.6142617E-03 Ec_ueg -0.1425054E-03 Delta_ex -0.9780054E-03 Delta_ec 0.6088142E-03 Delta_et -0.3294098E-02 Pxc 0.4310446E+01 Qxc -0.1606410E+01 3,+1 138 3 -1 -1.697681 2.737817 -0.660655 Rho 0.1908455E+00 |GRAD(Rho)| 0.5727857E-14 GRAD(Rho)x -0.5159393E-14 GRAD(Rho)y 0.1302222E-14 GRAD(Rho)z 0.2119724E-14 Laplacian 0.7946231E+00 (-1/4)Del**2(Rho)) -0.1986558E+00 Diamond 0.2094398E+01 Metallicity 0.5485994E+01 Ellipticity 0.2353911E-01 Gb(Abramov) 0.3140746E+00 Vb(Abramov) -0.4294934E+00 Hb(Abramov) -0.1154188E+00 Ex_ueg -0.8115110E-01 Ec_ueg -0.1110775E-01 Delta_ex -0.9021923E-01 Delta_ec 0.1822376E-01 Delta_et -0.2471842E+00 Pxc 0.7305812E+01 Qxc -0.4950637E+01 3,-1 139 3 -1 0.035558 3.042816 -3.331242 Rho 0.2393003E+00 |GRAD(Rho)| 0.2708381E-14 GRAD(Rho)x 0.7068456E-15 GRAD(Rho)y -0.2007563E-14 GRAD(Rho)z 0.1674930E-14 Laplacian 0.8836150E+00 (-1/4)Del**2(Rho)) -0.2209037E+00 Diamond 0.3103610E+01 Metallicity 0.7193202E+01 Ellipticity 0.5097468E-02 Gb(Abramov) 0.4121034E+00 Vb(Abramov) -0.6033030E+00 Hb(Abramov) -0.1911996E+00 Ex_ueg -0.1097260E+00 Ec_ueg -0.1439076E-01 Delta_ex -0.1066211E+00 Delta_ec 0.1943631E-01 Delta_et -0.2687580E+00 Pxc 0.7624752E+01 Qxc -0.5485665E+01 3,-1 140 3 -1 2.758135 -1.822317 -0.447727 Rho 0.1219403E+00 |GRAD(Rho)| 0.5271045E-14 GRAD(Rho)x 0.2779434E-14 GRAD(Rho)y -0.4340095E-14 GRAD(Rho)z 0.1105547E-14 Laplacian 0.5185012E+00 (-1/4)Del**2(Rho)) -0.1296253E+00 Diamond 0.8084036E+00 Metallicity 0.3985125E+01 Ellipticity 0.3592157E-01 Gb(Abramov) 0.1725124E+00 Vb(Abramov) -0.2153994E+00 Hb(Abramov) -0.4288707E-01 Ex_ueg -0.4465957E-01 Ec_ueg -0.6672307E-02 Delta_ex -0.5281303E-01 Delta_ec 0.1357518E-01 Delta_et -0.1745388E+00 Pxc 0.6693273E+01 Qxc -0.3890411E+01 3,-1 141 3 -1 2.990378 -1.965395 0.931490 Rho 0.1809837E+00 |GRAD(Rho)| 0.5524907E-15 GRAD(Rho)x -0.1584833E-15 GRAD(Rho)y 0.2260019E-15 GRAD(Rho)z 0.4785939E-15 Laplacian 0.6926404E+00 (-1/4)Del**2(Rho)) -0.1731601E+00 Diamond 0.1749265E+01 Metallicity 0.5761089E+01 Ellipticity 0.5145217E-01 Gb(Abramov) 0.2817052E+00 Vb(Abramov) -0.3902503E+00 Hb(Abramov) -0.1085451E+00 Ex_ueg -0.7560859E-01 Ec_ueg -0.1045562E-01 Delta_ex -0.7786801E-01 Delta_ec 0.1661908E-01 Delta_et -0.2259685E+00 Pxc 0.7231383E+01 Qxc -0.4685458E+01 3,-1 142 3 +1 -1.661506 0.448458 -0.658237 Rho 0.9427179E-02 |GRAD(Rho)| 0.1747786E-16 GRAD(Rho)x 0.1556496E-16 GRAD(Rho)y -0.7078772E-17 GRAD(Rho)z -0.3619200E-17 Laplacian 0.3844547E-01 (-1/4)Del**2(Rho)) -0.9611366E-02 Diamond 0.1168354E-02 Metallicity 0.7540572E+00 Ellipticity -0.1436193E+01 Gb(Abramov) 0.7615498E-02 Vb(Abramov) -0.5619629E-02 Hb(Abramov) 0.1995869E-02 Ex_ueg -0.1470824E-02 Ec_ueg -0.3421407E-03 Delta_ex -0.1798711E-02 Delta_ec 0.5425789E-03 Delta_et -0.3795585E-02 Pxc 0.4298887E+01 Qxc -0.3315115E+01 3,+1 143 3 +1 -2.200285 1.106760 1.296550 Rho 0.2739749E-01 |GRAD(Rho)| 0.3312535E-16 GRAD(Rho)x -0.1735358E-16 GRAD(Rho)y -0.2419526E-16 GRAD(Rho)z 0.1451659E-16 Laplacian 0.1064377E+00 (-1/4)Del**2(Rho)) -0.2660943E-01 Diamond 0.1406268E-01 Metallicity 0.1612014E+01 Ellipticity -0.2688199E+01 Gb(Abramov) 0.2488875E-01 Vb(Abramov) -0.2316807E-01 Hb(Abramov) 0.1720679E-02 Ex_ueg -0.6100041E-02 Ec_ueg -0.1210165E-02 Delta_ex -0.6618029E-02 Delta_ec 0.1509392E-02 Delta_et -0.1367183E-01 Pxc 0.5040667E+01 Qxc -0.4384567E+01 3,+1 144 3 -1 -2.680924 1.743999 -0.648843 Rho 0.1850742E+00 |GRAD(Rho)| 0.6448581E-15 GRAD(Rho)x 0.2409639E-15 GRAD(Rho)y 0.3891744E-15 GRAD(Rho)z 0.4542265E-15 Laplacian 0.7681474E+00 (-1/4)Del**2(Rho)) -0.1920369E+00 Diamond 0.1957377E+01 Metallicity 0.5391939E+01 Ellipticity 0.1887734E-01 Gb(Abramov) 0.3005997E+00 Vb(Abramov) -0.4091626E+00 Hb(Abramov) -0.1085629E+00 Ex_ueg -0.7789559E-01 Ec_ueg -0.1072544E-01 Delta_ex -0.8657934E-01 Delta_ec 0.1784637E-01 Delta_et -0.2417100E+00 Pxc 0.7262697E+01 Qxc -0.4851369E+01 3,-1 145 3 -1 -1.665193 1.699110 0.378876 Rho 0.7685559E-01 |GRAD(Rho)| 0.2723305E-15 GRAD(Rho)x -0.2050701E-15 GRAD(Rho)y 0.1349662E-15 GRAD(Rho)z -0.1178740E-15 Laplacian 0.2842404E+00 (-1/4)Del**2(Rho)) -0.7106011E-01 Diamond 0.2492383E+00 Metallicity 0.3368111E+01 Ellipticity 0.2821479E-01 Gb(Abramov) 0.8726313E-01 Vb(Abramov) -0.1034662E+00 Hb(Abramov) -0.1620302E-01 Ex_ueg -0.2413343E-01 Ec_ueg -0.3945893E-02 Delta_ex -0.2588983E-01 Delta_ec 0.8039093E-02 Delta_et -0.9414293E-01 Pxc 0.6116088E+01 Qxc -0.3220492E+01 3,-1 146 3 -1 0.076873 0.008441 -2.922202 Rho 0.5702178E-02 |GRAD(Rho)| 0.3835245E-16 GRAD(Rho)x 0.5790513E-17 GRAD(Rho)y 0.3540013E-16 GRAD(Rho)z 0.1357242E-16 Laplacian 0.2282833E-01 (-1/4)Del**2(Rho)) -0.5707082E-02 Diamond 0.7290021E-03 Metallicity 0.5493810E+00 Ellipticity 0.2235247E+01 Gb(Abramov) 0.4327282E-02 Vb(Abramov) -0.2947482E-02 Hb(Abramov) 0.1379800E-02 Ex_ueg -0.7523838E-03 Ec_ueg -0.1772544E-03 Delta_ex -0.1237488E-02 Delta_ec 0.8492707E-03 Delta_et -0.4745805E-02 Pxc 0.4244654E+01 Qxc -0.1457119E+01 3,-1 147 3 -1 -0.411976 0.424596 0.294314 Rho 0.1323790E+00 |GRAD(Rho)| 0.9840152E-14 GRAD(Rho)x 0.6010913E-14 GRAD(Rho)y -0.6054916E-14 GRAD(Rho)z -0.4902601E-14 Laplacian 0.6755608E+00 (-1/4)Del**2(Rho)) -0.1688902E+00 Diamond 0.1418865E+01 Metallicity 0.3507362E+01 Ellipticity 0.1789667E-01 Gb(Abramov) 0.2113200E+00 Vb(Abramov) -0.2537497E+00 Hb(Abramov) -0.4242977E-01 Ex_ueg -0.4982843E-01 Ec_ueg -0.7325248E-02 Delta_ex -0.7320432E-01 Delta_ec 0.2272791E-01 Delta_et -0.3066406E+00 Pxc 0.6802285E+01 Qxc -0.3220900E+01 3,-1 148 3 -1 0.835203 -1.889712 3.025922 Rho 0.1478350E+00 |GRAD(Rho)| 0.2684266E-15 GRAD(Rho)x -0.1661133E-15 GRAD(Rho)y -0.1438465E-15 GRAD(Rho)z -0.1541668E-15 Laplacian 0.5682023E+00 (-1/4)Del**2(Rho)) -0.1420506E+00 Diamond 0.1130146E+01 Metallicity 0.5012706E+01 Ellipticity 0.5809760E-01 Gb(Abramov) 0.2133767E+00 Vb(Abramov) -0.2847028E+00 Hb(Abramov) -0.7132612E-01 Ex_ueg -0.5773264E-01 Ec_ueg -0.8305067E-02 Delta_ex -0.6078805E-01 Delta_ec 0.1444357E-01 Delta_et -0.1918239E+00 Pxc 0.6951496E+01 Qxc -0.4208658E+01 3,-1 149 3 -1 0.668090 -1.785191 -2.782168 Rho 0.1601143E+00 |GRAD(Rho)| 0.2250981E-15 GRAD(Rho)x -0.1691897E-15 GRAD(Rho)y -0.1131636E-15 GRAD(Rho)z 0.9611452E-16 Laplacian 0.6648888E+00 (-1/4)Del**2(Rho)) -0.1662222E+00 Diamond 0.1433206E+01 Metallicity 0.4893065E+01 Ellipticity 0.2516116E-01 Gb(Abramov) 0.2463708E+00 Vb(Abramov) -0.3265194E+00 Hb(Abramov) -0.8014860E-01 Ex_ueg -0.6421333E-01 Ec_ueg -0.9094087E-02 Delta_ex -0.7234289E-01 Delta_ec 0.1620405E-01 Delta_et -0.2166009E+00 Pxc 0.7060998E+01 Qxc -0.4464494E+01 3,-1 150 3 +1 1.008908 -2.125658 1.452449 Rho 0.2517654E-01 |GRAD(Rho)| 0.5381363E-16 GRAD(Rho)x -0.1429939E-18 GRAD(Rho)y -0.5294930E-16 GRAD(Rho)z 0.9605086E-17 Laplacian 0.9696204E-01 (-1/4)Del**2(Rho)) -0.2424051E-01 Diamond 0.1045024E-01 Metallicity 0.1536992E+01 Ellipticity -0.2070623E+01 Gb(Abramov) 0.2236992E-01 Vb(Abramov) -0.2049932E-01 Hb(Abramov) 0.1870593E-02 Ex_ueg -0.5449790E-02 Ec_ueg -0.1097607E-02 Delta_ex -0.5788509E-02 Delta_ec 0.1193035E-02 Delta_et -0.1065193E-01 Pxc 0.4965157E+01 Qxc -0.4851919E+01 3,+1 151 3 -1 0.910073 2.904267 -2.116444 Rho 0.1269189E+00 |GRAD(Rho)| 0.1906049E-15 GRAD(Rho)x -0.1573584E-15 GRAD(Rho)y -0.4186376E-16 GRAD(Rho)z 0.9907575E-16 Laplacian 0.4859412E+00 (-1/4)Del**2(Rho)) -0.1214853E+00 Diamond 0.8087031E+00 Metallicity 0.4545414E+01 Ellipticity 0.3525738E-01 Gb(Abramov) 0.1730237E+00 Vb(Abramov) -0.2245621E+00 Hb(Abramov) -0.5153840E-01 Ex_ueg -0.4710716E-01 Ec_ueg -0.6982809E-02 Delta_ex -0.5014642E-01 Delta_ec 0.1290729E-01 Delta_et -0.1676104E+00 Pxc 0.6746163E+01 Qxc -0.3885123E+01 3,-1 152 3 +1 2.193332 1.364735 -1.122733 Rho 0.2673260E-01 |GRAD(Rho)| 0.4250840E-16 GRAD(Rho)x 0.3728804E-16 GRAD(Rho)y -0.8090108E-18 GRAD(Rho)z -0.2039391E-16 Laplacian 0.1036926E+00 (-1/4)Del**2(Rho)) -0.2592314E-01 Diamond 0.1444509E-01 Metallicity 0.1588307E+01 Ellipticity -0.3601724E+01 Gb(Abramov) 0.2414441E-01 Vb(Abramov) -0.2236568E-01 Hb(Abramov) 0.1778731E-02 Ex_ueg -0.5903462E-02 Ec_ueg -0.1176338E-02 Delta_ex -0.6523357E-02 Delta_ec 0.1683748E-02 Delta_et -0.1512087E-01 Pxc 0.5018509E+01 Qxc -0.3874308E+01 3,+1 153 3 +1 1.733071 1.771614 1.738140 Rho 0.1194638E-01 |GRAD(Rho)| 0.2621009E-16 GRAD(Rho)x 0.7983472E-17 GRAD(Rho)y -0.1803731E-16 GRAD(Rho)z 0.1725945E-16 Laplacian 0.5893775E-01 (-1/4)Del**2(Rho)) -0.1473444E-01 Diamond 0.2365101E-02 Metallicity 0.7299285E+00 Ellipticity -0.1282347E+01 Gb(Abramov) 0.1161547E-01 Vb(Abramov) -0.8496508E-02 Hb(Abramov) 0.3118965E-02 Ex_ueg -0.2016974E-02 Ec_ueg -0.4570944E-03 Delta_ex -0.2898839E-02 Delta_ec 0.7743095E-03 Delta_et -0.5792512E-02 Pxc 0.4412598E+01 Qxc -0.3743772E+01 3,+1 154 3 -1 2.960844 -0.765657 1.990013 Rho 0.9184703E-01 |GRAD(Rho)| 0.7491960E-15 GRAD(Rho)x -0.2987604E-15 GRAD(Rho)y 0.5976631E-15 GRAD(Rho)z 0.3388742E-15 Laplacian 0.3692964E+00 (-1/4)Del**2(Rho)) -0.9232409E-01 Diamond 0.4167717E+00 Metallicity 0.3488832E+01 Ellipticity 0.2506714E-01 Gb(Abramov) 0.1152333E+00 Vb(Abramov) -0.1381424E+00 Hb(Abramov) -0.2290917E-01 Ex_ueg -0.3060590E-01 Ec_ueg -0.4833880E-02 Delta_ex -0.3533109E-01 Delta_ec 0.1056856E-01 Delta_et -0.1291111E+00 Pxc 0.6331540E+01 Qxc -0.3343036E+01 3,-1 155 3 -1 2.947267 2.028808 -0.845703 Rho 0.1000794E+00 |GRAD(Rho)| 0.1660523E-12 GRAD(Rho)x -0.6895623E-13 GRAD(Rho)y 0.1034095E-12 GRAD(Rho)z 0.1101130E-12 Laplacian 0.3894430E+00 (-1/4)Del**2(Rho)) -0.9736074E-01 Diamond 0.4865991E+00 Metallicity 0.3817193E+01 Ellipticity 0.1129227E-01 Gb(Abramov) 0.1268479E+00 Vb(Abramov) -0.1563351E+00 Hb(Abramov) -0.2948720E-01 Ex_ueg -0.3431718E-01 Ec_ueg -0.5329864E-02 Delta_ex -0.3798962E-01 Delta_ec 0.1091186E-01 Delta_et -0.1356352E+00 Pxc 0.6438658E+01 Qxc -0.3481497E+01 3,-1 156 3 -1 2.711994 1.838820 0.529754 Rho 0.1209046E+00 |GRAD(Rho)| 0.6906448E-12 GRAD(Rho)x 0.1900889E-12 GRAD(Rho)y -0.5140960E-12 GRAD(Rho)z 0.4201925E-12 Laplacian 0.4968937E+00 (-1/4)Del**2(Rho)) -0.1242234E+00 Diamond 0.7750322E+00 Metallicity 0.4099721E+01 Ellipticity 0.8819348E-02 Gb(Abramov) 0.1676958E+00 Vb(Abramov) -0.2111682E+00 Hb(Abramov) -0.4347241E-01 Ex_ueg -0.4415454E-01 Ec_ueg -0.6607929E-02 Delta_ex -0.5061788E-01 Delta_ec 0.1323063E-01 Delta_et -0.1701948E+00 Pxc 0.6682055E+01 Qxc -0.3825810E+01 3,-1 157 3 -1 2.913534 -0.015682 -0.005392 Rho 0.5558878E-02 |GRAD(Rho)| 0.1134217E-14 GRAD(Rho)x 0.9478126E-16 GRAD(Rho)y -0.6552570E-17 GRAD(Rho)z 0.1130231E-14 Laplacian 0.2267956E-01 (-1/4)Del**2(Rho)) -0.5669891E-02 Diamond 0.7207746E-03 Metallicity 0.5300178E+00 Ellipticity 0.2271611E+01 Gb(Abramov) 0.4280784E-02 Vb(Abramov) -0.2891678E-02 Hb(Abramov) 0.1389106E-02 Ex_ueg -0.7272794E-03 Ec_ueg -0.1710423E-03 Delta_ex -0.1240486E-02 Delta_ec 0.8737850E-03 Delta_et -0.4834957E-02 Pxc 0.4252043E+01 Qxc -0.1419669E+01 3,-1 158 3 -1 -2.922015 1.996774 0.758403 Rho 0.1011949E+00 |GRAD(Rho)| 0.7345429E-13 GRAD(Rho)x 0.3750351E-13 GRAD(Rho)y 0.3132194E-13 GRAD(Rho)z -0.5484483E-13 Laplacian 0.4023723E+00 (-1/4)Del**2(Rho)) -0.1005931E+00 Diamond 0.5054150E+00 Metallicity 0.3763419E+01 Ellipticity 0.3115318E-01 Gb(Abramov) 0.1301577E+00 Vb(Abramov) -0.1597223E+00 Hb(Abramov) -0.2956463E-01 Ex_ueg -0.3482810E-01 Ec_ueg -0.5397490E-02 Delta_ex -0.3928313E-01 Delta_ec 0.1112321E-01 Delta_et -0.1384137E+00 Pxc 0.6452647E+01 Qxc -0.3531637E+01 3,-1 159 3 -1 0.802420 -2.889938 2.039176 Rho 0.8486265E-01 |GRAD(Rho)| 0.2954557E-15 GRAD(Rho)x 0.2598087E-15 GRAD(Rho)y -0.9777471E-16 GRAD(Rho)z -0.1011611E-15 Laplacian 0.3428450E+00 (-1/4)Del**2(Rho)) -0.8571126E-01 Diamond 0.3511519E+00 Metallicity 0.3293894E+01 Ellipticity 0.2536265E-01 Gb(Abramov) 0.1041948E+00 Vb(Abramov) -0.1226784E+00 Hb(Abramov) -0.1848355E-01 Ex_ueg -0.2754274E-01 Ec_ueg -0.4417609E-02 Delta_ex -0.3220283E-01 Delta_ec 0.9959163E-02 Delta_et -0.1196069E+00 Pxc 0.6234763E+01 Qxc -0.3233487E+01 3,-1 160 3 -1 -0.373180 -0.395401 -0.454946 Rho 0.1427806E+00 |GRAD(Rho)| 0.4244428E-15 GRAD(Rho)x -0.3404845E-15 GRAD(Rho)y -0.2514579E-15 GRAD(Rho)z -0.3147901E-16 Laplacian 0.7735570E+00 (-1/4)Del**2(Rho)) -0.1933892E+00 Diamond 0.1793636E+01 Metallicity 0.3474582E+01 Ellipticity 0.1538952E-02 Gb(Abramov) 0.2409173E+00 Vb(Abramov) -0.2884454E+00 Hb(Abramov) -0.4752806E-01 Ex_ueg -0.5511593E-01 Ec_ueg -0.7982979E-02 Delta_ex -0.8543872E-01 Delta_ec 0.2587315E-01 Delta_et -0.3548838E+00 Pxc 0.6904181E+01 Qxc -0.3302216E+01 3,-1 161 3 -1 2.123231 0.811623 -3.003970 Rho 0.1067785E+00 |GRAD(Rho)| 0.2888764E-15 GRAD(Rho)x -0.1858356E-15 GRAD(Rho)y 0.8174884E-16 GRAD(Rho)z -0.2055037E-15 Laplacian 0.4163795E+00 (-1/4)Del**2(Rho)) -0.1040949E+00 Diamond 0.5615377E+00 Metallicity 0.3977380E+01 Ellipticity 0.1742541E-01 Gb(Abramov) 0.1384007E+00 Vb(Abramov) -0.1727066E+00 Hb(Abramov) -0.3430586E-01 Ex_ueg -0.3741367E-01 Ec_ueg -0.5737470E-02 Delta_ex -0.4122121E-01 Delta_ec 0.1147213E-01 Delta_et -0.1443766E+00 Pxc 0.6520936E+01 Qxc -0.3593161E+01 3,-1 162 3 -1 2.835401 -0.588590 -1.734450 Rho 0.1460187E+00 |GRAD(Rho)| 0.2624426E-11 GRAD(Rho)x 0.3712554E-12 GRAD(Rho)y -0.1807150E-11 GRAD(Rho)z 0.1866545E-11 Laplacian 0.6069569E+00 (-1/4)Del**2(Rho)) -0.1517392E+00 Diamond 0.1183627E+01 Metallicity 0.4596947E+01 Ellipticity 0.4676573E-01 Gb(Abramov) 0.2174157E+00 Vb(Abramov) -0.2830922E+00 Hb(Abramov) -0.6567647E-01 Ex_ueg -0.5678886E-01 Ec_ueg -0.8189144E-02 Delta_ex -0.6467762E-01 Delta_ec 0.1536883E-01 Delta_et -0.2035157E+00 Pxc 0.6934651E+01 Qxc -0.4208364E+01 3,-1 163 3 -1 1.709234 -1.684674 0.598694 Rho 0.4879685E-01 |GRAD(Rho)| 0.1101627E-13 GRAD(Rho)x 0.7679665E-14 GRAD(Rho)y -0.7494698E-14 GRAD(Rho)z -0.2492059E-14 Laplacian 0.1845008E+00 (-1/4)Del**2(Rho)) -0.4612520E-01 Diamond 0.8734952E-01 Metallicity 0.2433705E+01 Ellipticity 0.1045780E-01 Gb(Abramov) 0.4945932E-01 Vb(Abramov) -0.5279345E-01 Hb(Abramov) -0.3334121E-02 Ex_ueg -0.1316965E-01 Ec_ueg -0.2348477E-02 Delta_ex -0.1495447E-01 Delta_ec 0.5249365E-02 Delta_et -0.5493619E-01 Pxc 0.5607739E+01 Qxc -0.2848815E+01 3,-1 164 3 -1 -3.343315 -0.007996 3.057650 Rho 0.2406374E+00 |GRAD(Rho)| 0.1145252E-13 GRAD(Rho)x 0.1014390E-13 GRAD(Rho)y -0.1934813E-14 GRAD(Rho)z -0.4951551E-14 Laplacian 0.8607762E+00 (-1/4)Del**2(Rho)) -0.2151940E+00 Diamond 0.3069072E+01 Metallicity 0.7452950E+01 Ellipticity 0.4397636E-02 Gb(Abramov) 0.4107678E+00 Vb(Abramov) -0.6063415E+00 Hb(Abramov) -0.1955737E+00 Ex_ueg -0.1105442E+00 Ec_ueg -0.1448319E-01 Delta_ex -0.1041510E+00 Delta_ec 0.1914254E-01 Delta_et -0.2658113E+00 Pxc 0.7632587E+01 Qxc -0.5440815E+01 3,-1 165 3 -1 -3.086329 0.936282 1.919284 Rho 0.1657984E+00 |GRAD(Rho)| 0.3919160E-15 GRAD(Rho)x -0.6455069E-16 GRAD(Rho)y -0.2525107E-15 GRAD(Rho)z 0.2926939E-15 Laplacian 0.6390950E+00 (-1/4)Del**2(Rho)) -0.1597737E+00 Diamond 0.1455329E+01 Metallicity 0.5395295E+01 Ellipticity 0.6900036E-01 Gb(Abramov) 0.2501869E+00 Vb(Abramov) -0.3406001E+00 Hb(Abramov) -0.9041316E-01 Ex_ueg -0.6727066E-01 Ec_ueg -0.9462397E-02 Delta_ex -0.7030834E-01 Delta_ec 0.1572831E-01 Delta_et -0.2119036E+00 Pxc 0.7109262E+01 Qxc -0.4470177E+01 3,-1 166 3 -1 -0.756622 -2.982980 -2.017788 Rho 0.1057431E+00 |GRAD(Rho)| 0.1986286E-13 GRAD(Rho)x 0.1536217E-13 GRAD(Rho)y 0.8610845E-14 GRAD(Rho)z -0.9186415E-14 Laplacian 0.4120619E+00 (-1/4)Del**2(Rho)) -0.1030155E+00 Diamond 0.5484360E+00 Metallicity 0.3954312E+01 Ellipticity 0.2338769E-01 Gb(Abramov) 0.1365695E+00 Vb(Abramov) -0.1701236E+00 Hb(Abramov) -0.3355406E-01 Ex_ueg -0.3693073E-01 Ec_ueg -0.5674244E-02 Delta_ex -0.4068805E-01 Delta_ec 0.1135558E-01 Delta_et -0.1426136E+00 Pxc 0.6508485E+01 Qxc -0.3583090E+01 3,-1 167 3 -1 -0.474273 1.709104 -2.853291 Rho 0.1490121E+00 |GRAD(Rho)| 0.1237243E-12 GRAD(Rho)x 0.8968500E-13 GRAD(Rho)y 0.8522999E-13 GRAD(Rho)z -0.3928708E-15 Laplacian 0.6247042E+00 (-1/4)Del**2(Rho)) -0.1561761E+00 Diamond 0.1235535E+01 Metallicity 0.4619995E+01 Ellipticity 0.2272291E-01 Gb(Abramov) 0.2243728E+00 Vb(Abramov) -0.2925696E+00 Hb(Abramov) -0.6819675E-01 Ex_ueg -0.5834639E-01 Ec_ueg -0.8380307E-02 Delta_ex -0.6677329E-01 Delta_ec 0.1550979E-01 Delta_et -0.2054384E+00 Pxc 0.6962321E+01 Qxc -0.4305234E+01 3,-1 168 3 -1 0.654455 -2.764504 -1.776677 Rho 0.1567955E+00 |GRAD(Rho)| 0.1981117E-15 GRAD(Rho)x -0.1708025E-15 GRAD(Rho)y -0.5477931E-16 GRAD(Rho)z -0.8410698E-16 Laplacian 0.6513627E+00 (-1/4)Del**2(Rho)) -0.1628407E+00 Diamond 0.1380465E+01 Metallicity 0.4823323E+01 Ellipticity 0.4002196E-01 Gb(Abramov) 0.2394660E+00 Vb(Abramov) -0.3160913E+00 Hb(Abramov) -0.7662531E-01 Ex_ueg -0.6244484E-01 Ec_ueg -0.8879935E-02 Delta_ex -0.7060895E-01 Delta_ec 0.1614890E-01 Delta_et -0.2157849E+00 Pxc 0.7032129E+01 Qxc -0.4372369E+01 3,-1 169 3 -1 1.934040 3.006071 -0.899541 Rho 0.1420231E+00 |GRAD(Rho)| 0.2272269E-13 GRAD(Rho)x 0.1979151E-13 GRAD(Rho)y 0.1028497E-13 GRAD(Rho)z 0.4340075E-14 Laplacian 0.5489122E+00 (-1/4)Del**2(Rho)) -0.1372280E+00 Diamond 0.1042958E+01 Metallicity 0.4853353E+01 Ellipticity 0.5910652E-01 Gb(Abramov) 0.2024881E+00 Vb(Abramov) -0.2677481E+00 Hb(Abramov) -0.6526001E-01 Ex_ueg -0.5472641E-01 Ec_ueg -0.7934848E-02 Delta_ex -0.5817776E-01 Delta_ec 0.1414005E-01 Delta_et -0.1868103E+00 Pxc 0.6896970E+01 Qxc -0.4114397E+01 3,-1 170 3 -1 3.144583 0.181685 3.160361 Rho 0.2390814E+00 |GRAD(Rho)| 0.5677442E-10 GRAD(Rho)x 0.4114228E-10 GRAD(Rho)y 0.8318391E-11 GRAD(Rho)z 0.3822894E-10 Laplacian 0.8674569E+00 (-1/4)Del**2(Rho)) -0.2168642E+00 Diamond 0.3055750E+01 Metallicity 0.7316021E+01 Ellipticity 0.5839354E-03 Gb(Abramov) 0.4090067E+00 Vb(Abramov) -0.6011492E+00 Hb(Abramov) -0.1921425E+00 Ex_ueg -0.1095922E+00 Ec_ueg -0.1437564E-01 Delta_ex -0.1047119E+00 Delta_ec 0.1920307E-01 Delta_et -0.2660418E+00 Pxc 0.7623464E+01 Qxc -0.5452870E+01 3,-1 171 3 -1 3.078285 0.861998 -1.949903 Rho 0.1656269E+00 |GRAD(Rho)| 0.1155236E-15 GRAD(Rho)x -0.7418653E-16 GRAD(Rho)y 0.8407988E-16 GRAD(Rho)z -0.2779623E-16 Laplacian 0.6416158E+00 (-1/4)Del**2(Rho)) -0.1604040E+00 Diamond 0.1454793E+01 Metallicity 0.5364833E+01 Ellipticity 0.7807453E-01 Gb(Abramov) 0.2503594E+00 Vb(Abramov) -0.3403148E+00 Hb(Abramov) -0.8995542E-01 Ex_ueg -0.6717787E-01 Ec_ueg -0.9451253E-02 Delta_ex -0.7052851E-01 Delta_ec 0.1572503E-01 Delta_et -0.2116473E+00 Pxc 0.7107827E+01 Qxc -0.4485112E+01 3,-1 172 3 -1 -2.954156 -0.940865 -2.038035 Rho 0.1551587E+00 |GRAD(Rho)| 0.1143359E-13 GRAD(Rho)x 0.4729331E-14 GRAD(Rho)y 0.6381506E-14 GRAD(Rho)z -0.8224161E-14 Laplacian 0.5955736E+00 (-1/4)Del**2(Rho)) -0.1488934E+00 Diamond 0.1255619E+01 Metallicity 0.5183679E+01 Ellipticity 0.6545856E-01 Gb(Abramov) 0.2278982E+00 Vb(Abramov) -0.3069030E+00 Hb(Abramov) -0.7900481E-01 Ex_ueg -0.6157722E-01 Ec_ueg -0.8774561E-02 Delta_ex -0.6448132E-01 Delta_ec 0.1496136E-01 Delta_et -0.2000294E+00 Pxc 0.7017697E+01 Qxc -0.4309857E+01 3,-1 173 3 -1 -3.131420 -0.060918 -3.240366 Rho 0.2391250E+00 |GRAD(Rho)| 0.4445163E-15 GRAD(Rho)x 0.3387590E-15 GRAD(Rho)y -0.1352000E-15 GRAD(Rho)z 0.2540828E-15 Laplacian 0.8815041E+00 (-1/4)Del**2(Rho)) -0.2203760E+00 Diamond 0.3092886E+01 Metallicity 0.7201626E+01 Ellipticity 0.2423219E-02 Gb(Abramov) 0.4114283E+00 Vb(Abramov) -0.6024805E+00 Hb(Abramov) -0.1910523E+00 Ex_ueg -0.1096188E+00 Ec_ueg -0.1437865E-01 Delta_ex -0.1063429E+00 Delta_ec 0.1938856E-01 Delta_et -0.2680669E+00 Pxc 0.7623721E+01 Qxc -0.5484827E+01 3,-1 174 3 -1 -1.919506 2.962279 0.762601 Rho 0.1019021E+00 |GRAD(Rho)| 0.4056917E-16 GRAD(Rho)x 0.3350524E-16 GRAD(Rho)y 0.5224499E-17 GRAD(Rho)z 0.2227019E-16 Laplacian 0.4003886E+00 (-1/4)Del**2(Rho)) -0.1000971E+00 Diamond 0.5071870E+00 Metallicity 0.3826223E+01 Ellipticity 0.2280884E-01 Gb(Abramov) 0.1305638E+00 Vb(Abramov) -0.1610304E+00 Hb(Abramov) -0.3046662E-01 Ex_ueg -0.3515303E-01 Ec_ueg -0.5440420E-02 Delta_ex -0.3915349E-01 Delta_ec 0.1105190E-01 Delta_et -0.1377147E+00 Pxc 0.6461455E+01 Qxc -0.3542694E+01 3,-1 175 3 -1 0.390414 -0.365394 0.354543 Rho 0.1390342E+00 |GRAD(Rho)| 0.3860859E-15 GRAD(Rho)x 0.2149361E-15 GRAD(Rho)y -0.2727976E-15 GRAD(Rho)z 0.1686602E-15 Laplacian 0.7292204E+00 (-1/4)Del**2(Rho)) -0.1823051E+00 Diamond 0.1627236E+01 Metallicity 0.3526067E+01 Ellipticity 0.5161367E-02 Gb(Abramov) 0.2286734E+00 Vb(Abramov) -0.2750417E+00 Hb(Abramov) -0.4636831E-01 Ex_ueg -0.5319622E-01 Ec_ueg -0.7745286E-02 Delta_ex -0.7993797E-01 Delta_ec 0.2432650E-01 Delta_et -0.3315713E+00 Pxc 0.6868205E+01 Qxc -0.3286045E+01 3,-1 176 3 -1 3.339152 -0.103763 -3.067471 Rho 0.2404910E+00 |GRAD(Rho)| 0.1802453E-14 GRAD(Rho)x 0.1507204E-14 GRAD(Rho)y -0.9713909E-15 GRAD(Rho)z -0.1832302E-15 Laplacian 0.8774118E+00 (-1/4)Del**2(Rho)) -0.2193529E+00 Diamond 0.3110998E+01 Metallicity 0.7304229E+01 Ellipticity 0.2755619E-02 Gb(Abramov) 0.4132693E+00 Vb(Abramov) -0.6071857E+00 Hb(Abramov) -0.1939164E+00 Ex_ueg -0.1104545E+00 Ec_ueg -0.1447306E-01 Delta_ex -0.1060668E+00 Delta_ec 0.1937292E-01 Delta_et -0.2683757E+00 Pxc 0.7631731E+01 Qxc -0.5475005E+01 3,-1 177 3 -1 -0.087924 3.231997 3.220566 Rho 0.2411092E+00 |GRAD(Rho)| 0.2773246E-15 GRAD(Rho)x -0.6613633E-16 GRAD(Rho)y -0.2490954E-15 GRAD(Rho)z -0.1024029E-15 Laplacian 0.8631417E+00 (-1/4)Del**2(Rho)) -0.2157854E+00 Diamond 0.3082995E+01 Metallicity 0.7456824E+01 Ellipticity 0.1589706E-02 Gb(Abramov) 0.4120359E+00 Vb(Abramov) -0.6082865E+00 Hb(Abramov) -0.1962505E+00 Ex_ueg -0.1108332E+00 Ec_ueg -0.1451582E-01 Delta_ex -0.1044812E+00 Delta_ec 0.1916727E-01 Delta_et -0.2660998E+00 Pxc 0.7635341E+01 Qxc -0.5451024E+01 3,-1 178 3 -1 0.404670 0.402438 -0.453420 Rho 0.1424904E+00 |GRAD(Rho)| 0.3888258E-15 GRAD(Rho)x 0.2515607E-15 GRAD(Rho)y 0.2277006E-15 GRAD(Rho)z -0.1898819E-15 Laplacian 0.7710408E+00 (-1/4)Del**2(Rho)) -0.1927602E+00 Diamond 0.1783366E+01 Metallicity 0.3474124E+01 Ellipticity 0.3282217E-02 Gb(Abramov) 0.2401189E+00 Vb(Abramov) -0.2874777E+00 Hb(Abramov) -0.4735873E-01 Ex_ueg -0.5496665E-01 Ec_ueg -0.7964540E-02 Delta_ex -0.8512032E-01 Delta_ec 0.2579909E-01 Delta_et -0.3537224E+00 Pxc 0.6901423E+01 Qxc -0.3299354E+01 3,-1 179 3 -1 1.735256 2.811127 0.574297 Rho 0.1599003E+00 |GRAD(Rho)| 0.1150947E-13 GRAD(Rho)x 0.8046135E-14 GRAD(Rho)y -0.1105663E-14 GRAD(Rho)z -0.8155071E-14 Laplacian 0.6771460E+00 (-1/4)Del**2(Rho)) -0.1692865E+00 Diamond 0.1453312E+01 Metallicity 0.4793798E+01 Ellipticity 0.3202849E-01 Gb(Abramov) 0.2481119E+00 Vb(Abramov) -0.3269373E+00 Hb(Abramov) -0.7882538E-01 Ex_ueg -0.6409894E-01 Ec_ueg -0.9080260E-02 Delta_ex -0.7361566E-01 Delta_ec 0.1644354E-01 Delta_et -0.2195985E+00 Pxc 0.7059152E+01 Qxc -0.4476874E+01 3,-1 180 3 -1 -4.202705 3.903590 0.315214 Rho 0.3290274E+00 |GRAD(Rho)| 0.4011942E-15 GRAD(Rho)x 0.9618483E-16 GRAD(Rho)y 0.1514074E-15 GRAD(Rho)z -0.3588608E-15 Laplacian -0.1781259E+01 (-1/4)Del**2(Rho)) 0.4453147E+00 Diamond 0.6329242E+01 Metallicity -0.6066520E+01 Ellipticity 0.7124944E-03 Gb(Abramov) 0.1533753E+00 Vb(Abramov) -0.7520652E+00 Hb(Abramov) -0.5986900E+00 Ex_ueg -0.1677624E+00 Ec_ueg -0.2081114E-01 Delta_ex 0.1797045E+00 Delta_ec 0.6147829E-01 Delta_et -0.1478601E+01 Pxc 0.8061178E+01 Qxc 0.2923055E+01 3,-1 181 3 -1 -2.087796 0.871413 2.915219 Rho 0.1086131E+00 |GRAD(Rho)| 0.1613838E-15 GRAD(Rho)x -0.4253799E-16 GRAD(Rho)y -0.1496944E-15 GRAD(Rho)z -0.4274128E-16 Laplacian 0.4210307E+00 (-1/4)Del**2(Rho)) -0.1052577E+00 Diamond 0.5783151E+00 Metallicity 0.4046719E+01 Ellipticity 0.1248324E-01 Gb(Abramov) 0.1411631E+00 Vb(Abramov) -0.1770686E+00 Hb(Abramov) -0.3590547E-01 Ex_ueg -0.3827318E-01 Ec_ueg -0.5849692E-02 Delta_ex -0.4182945E-01 Delta_ec 0.1152113E-01 Delta_et -0.1454135E+00 Pxc 0.6542769E+01 Qxc -0.3630672E+01 3,-1 182 3 -1 -0.635204 1.781299 1.668474 Rho 0.3769481E-01 |GRAD(Rho)| 0.1107071E-15 GRAD(Rho)x -0.8407067E-17 GRAD(Rho)y -0.5265316E-16 GRAD(Rho)z -0.9702074E-16 Laplacian 0.1505382E+00 (-1/4)Del**2(Rho)) -0.3763454E-01 Diamond 0.5193209E-01 Metallicity 0.1939854E+01 Ellipticity 0.1923939E-01 Gb(Abramov) 0.3725728E-01 Vb(Abramov) -0.3688002E-01 Hb(Abramov) 0.3772595E-03 Ex_ueg -0.9334559E-02 Ec_ueg -0.1746932E-02 Delta_ex -0.1154623E-01 Delta_ec 0.4489458E-02 Delta_et -0.4390618E-01 Pxc 0.5343402E+01 Qxc -0.2571854E+01 3,-1 183 3 -1 -0.567857 -2.670388 1.853916 Rho 0.1213602E+00 |GRAD(Rho)| 0.2175698E-15 GRAD(Rho)x -0.1412377E-15 GRAD(Rho)y -0.9281787E-16 GRAD(Rho)z -0.1370160E-15 Laplacian 0.5040536E+00 (-1/4)Del**2(Rho)) -0.1260134E+00 Diamond 0.7913800E+00 Metallicity 0.4066900E+01 Ellipticity 0.9188448E-02 Gb(Abramov) 0.1694229E+00 Vb(Abramov) -0.2128324E+00 Hb(Abramov) -0.4340951E-01 Ex_ueg -0.4437653E-01 Ec_ueg -0.6636240E-02 Delta_ex -0.5141479E-01 Delta_ec 0.1344758E-01 Delta_et -0.1731617E+00 Pxc 0.6686999E+01 Qxc -0.3823349E+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 78 136 183 148 159 115 116 149 168 71 166 117 119 167 134 121 151 139 182 120 88 133 135 177 163 140 123 141 122 124 96 156 179 155 169 105 145 144 138 158 174 110 58 109 63 108 61 60 127 111 89 172 126 173 130 129 128 165 181 164 104 94 95 154 98 170 93 162 103 171 161 176 175 160 178 147 157 146 114 107 180 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 18 21 26 45 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 20 23 28 55 54 2.412887 1.829971 1.973939 1.907536 2.122759 1.717706 2.382813 1.863812 1.872199 2.058623 2.043363 1.718706 2.354268 1.889676 2.149843 1.857640 1.970194 1.717294 2.483434 2.035054 2.033060 1.873770 1.856752 1.714960 2.372010 1.970076 2.002977 1.826292 1.813883 1.875151 2.380023 1.975734 1.861312 2.065102 1.923088 1.717861 2.182486 1.807676 1.795562 2.062946 2.059967 1.884592 2.382777 2.046426 1.893075 2.010092 1.874127 1.717840 2.364093 2.111763 1.994269 1.887947 1.852405 1.717577 2.483989 1.859224 2.063018 1.860695 2.030354 1.715817 2.409484 1.892609 1.844255 2.093072 1.990608 1.718286 2.406657 1.899389 2.027735 1.861352 2.036692 1.715597 1.653430 1.640976 1.641828 1.671713 3.229609 3.233611 3.230886 0.983204 0.982212 2.413544 1.830503 1.974455 1.908282 2.123237 1.717726 2.383431 1.864321 1.872673 2.059415 2.044116 1.718722 2.355052 1.890247 2.150339 1.858140 1.971029 1.717328 2.483952 2.035661 2.033602 1.874439 1.857240 1.714979 2.373148 1.970891 2.003789 1.827107 1.814783 1.876983 2.380768 1.976344 1.861794 2.065827 1.923902 1.717879 2.183135 1.808262 1.796268 2.063697 2.060861 1.886841 2.383534 2.046885 1.893730 2.010932 1.874732 1.717858 2.364948 2.112326 1.994971 1.888647 1.852887 1.717605 2.484451 1.859814 2.063468 1.861101 2.031163 1.715834 2.410075 1.893145 1.844688 2.093606 1.991483 1.718299 2.407227 1.899948 2.028328 1.862023 2.037430 1.715611 1.653458 1.640976 1.641833 1.671837 3.235735 3.242758 3.239802 0.983464 0.982438 27 24 26 23 29 24 27 23 23 26 25 22 27 23 25 23 25 22 29 25 25 27 23 21 27 23 23 26 22 25 27 24 23 25 23 23 29 24 23 27 25 24 27 24 25 24 24 22 27 28 24 23 23 21 29 25 28 23 25 22 27 27 23 25 25 21 27 25 24 23 24 20 22 22 20 20 35 35 35 19 21 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Si H H 2.4078 2.4032 2.3984 2.3744 2.5129 2.4085 2.5595 2.3950 2.3878 2.3764 2.4053 2.3865 -1.1457 -1.1611 -1.1586 -1.1439 -0.8925 -0.8864 -0.8506 -0.8995 -0.8912 -0.8898 -0.9049 -0.8835 -0.8370 -0.9013 -0.8900 -0.8857 -0.8465 -0.8714 -0.8659 -0.8859 -0.8939 -0.8682 -0.8769 -0.8689 -0.8764 -0.8710 -0.8373 -0.8819 -0.6574 -0.6593 -0.6508 -0.6554 -0.6646 -0.6572 -0.6668 -0.6577 -0.6534 -0.6594 -0.6599 -0.6512 1.9376 0.3013 0.3046 1.8832 1.8816 1.8876 1.8926 1.8893 1.8916 1.8757 1.8949 1.8913 1.8917 1.8811 1.8914 1.9007 1.8983 1.8987 1.9046 1.9490 1.9486 1.9594 1.9469 1.9494 1.9503 1.9452 1.9529 1.9649 1.9467 1.9487 1.9500 1.9632 1.9574 1.9599 1.9585 1.9564 1.9605 1.9569 1.9610 1.9585 1.9596 1.9653 1.9568 1.9867 1.9860 1.9866 1.9867 1.8828 1.9859 1.8835 1.9854 1.9857 1.9865 1.9864 1.9870 2.3103 0.5984 0.5966 6.0723 6.0757 6.0724 6.0790 6.0546 6.0693 6.0366 6.0731 6.0742 6.0784 6.0749 6.0767 5.2170 5.2339 5.2310 5.2102 4.9168 4.9111 4.8607 4.9249 4.9144 4.9114 4.9337 4.9017 4.8408 4.9276 4.9142 4.9080 4.8514 4.8837 4.8759 4.8967 4.9080 4.8759 4.8903 4.8767 4.8880 4.8805 4.8398 4.8954 4.6348 4.6376 4.6281 4.6323 4.7511 4.6354 4.7533 4.6365 4.6317 4.6367 4.6376 4.6279 7.1601 0.1002 0.0988 3.6367 3.6395 3.6415 3.6540 3.5432 3.6305 3.5283 3.6369 3.6467 3.6535 3.6387 3.6454 0.0281 0.0290 0.0289 0.0291 0.0267 0.0268 0.0304 0.0276 0.0274 0.0281 0.0260 0.0288 0.0313 0.0270 0.0271 0.0278 0.0319 0.0302 0.0301 0.0307 0.0296 0.0319 0.0297 0.0312 0.0300 0.0310 0.0322 0.0296 0.0359 0.0357 0.0361 0.0364 0.0308 0.0359 0.0299 0.0359 0.0360 0.0362 0.0358 0.0364 0.5920 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Si H H 3.180039 3.177686 3.176741 3.177653 3.214911 3.182303 3.211178 3.182207 3.179652 3.172300 3.182647 3.177388 -1.181827 -1.201341 -1.200199 -1.187133 -1.152422 -1.142748 -1.107749 -1.162146 -1.154950 -1.152529 -1.164543 -1.142500 -1.083906 -1.161500 -1.150284 -1.145846 -1.089565 -1.118705 -1.109473 -1.116379 -1.134117 -1.113784 -1.125518 -1.113458 -1.119496 -1.114311 -1.074471 -1.124001 -0.915974 -0.917520 -0.908323 -0.915778 -0.642038 -0.916373 -0.641018 -0.917915 -0.912028 -0.920124 -0.918229 -0.908878 1.761993 0.148619 0.153785 2.391930 2.389351 2.394351 2.394297 2.243279 2.393405 2.268033 2.393914 2.396148 2.386491 2.394174 2.393775 -0.925777 -0.958178 -0.957520 -0.919721 -0.902095 -0.847562 -0.830964 -0.888333 -0.896936 -0.898706 -0.900762 -0.891545 -0.803193 -0.891377 -0.899062 -0.858145 -0.825101 -0.881796 -0.883947 -0.862791 -0.897060 -0.877822 -0.892065 -0.882314 -0.891235 -0.859295 -0.816418 -0.884146 -0.652752 -0.654385 -0.643526 -0.649971 -0.701182 -0.656794 -0.728912 -0.658061 -0.647292 -0.655148 -0.655285 -0.643755 1.322301 0.459081 0.450394 2.461018 2.451292 2.457231 2.461770 2.578772 2.463722 2.521555 2.465200 2.459970 2.458009 2.457305 2.458145 -0.922285 -0.950334 -0.954469 -0.915672 -0.980162 -0.966515 -0.909679 -0.960584 -0.968107 -0.971897 -1.004644 -0.953926 -0.871673 -0.969230 -0.983098 -0.963990 -0.889036 -0.911680 -0.924112 -0.969614 -0.956373 -0.908344 -0.921109 -0.918209 -0.936812 -0.934887 -0.899732 -0.928994 -0.611840 -0.611665 -0.602554 -0.611884 -0.760027 -0.614003 -0.747272 -0.618365 -0.609291 -0.615160 -0.611225 -0.602769 1.319088 0.479368 0.468777 -0.71429421 -2.00378883 0.73206184 2.24973342 9.59640128 -57.37822796 -2.62146699 25.51319993 0.41366623 -35.10960121 -349.4639 410.3084 -171.9367 -331.2990 -5.2804 -447.6716 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 0 Mar03-2024 01:53:01 Nodes: 1 Procs: 1 Mar03-2024 01:53:02 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar03-2024 01:53:02 Nodes: 1 Procs: 1 Mar03-2024 01:53:03 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar03-2024 01:53:04 Nodes: 1 Procs: 1 Mar03-2024 01:53:04 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar03-2024 01:53:05 Nodes: 1 Procs: 24 *** (NO TITLE) *** -2 -16.40962970 -16.43588465 -16.44379491 -16.44783512 -16.44955768 -16.45023015 -16.45032412 -16.45043734 -16.45047534 -16.45051979 -16.45055514 -16.45058007 -16.45061184 -16.45065598 -16.45068128 -16.45079252 -16.45083391 -16.45082896 -16.45082396 -16.45093660 -16.45121855 -16.45120687 -16.45134929 -16.45151030 -16.45155553 -16.45157899 -16.45159608 -16.45161654 -16.45159979 -16.45161178 -16.45162830 GEOMETRY CONVERGED