ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 10:58:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.33 0.01 0.37 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 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 10:58:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.57 0.01 0.62 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 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 0 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 Apr18-2024 10:58:28 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 10:58:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.02 0.73 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 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 0 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 Apr18-2024 10:58:28 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr18-2024 10:58:29 Nodes: 1 Procs: 1 Apr18-2024 10:58:29 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 10:58:30 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.41 0.03 0.47 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 0 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 Apr18-2024 10:58:28 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr18-2024 10:58:29 Nodes: 1 Procs: 1 Apr18-2024 10:58:29 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr18-2024 10:58:30 Nodes: 1 Procs: 1 Apr18-2024 10:58:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 10:58:30 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) 1.18 0.04 1.27 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 0 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 Apr18-2024 10:58:28 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr18-2024 10:58:29 Nodes: 1 Procs: 1 Apr18-2024 10:58:29 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr18-2024 10:58:30 Nodes: 1 Procs: 1 Apr18-2024 10:58:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr18-2024 10:58:30 Nodes: 1 Procs: 1 Apr18-2024 10:58:31 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 10:58:33 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2138.7250999999987 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-3 -1.804646 2.516930 -1.903881 Rho 0.4361415E+07 3,-3 3 3 -3 1.700790 2.534655 1.881927 Rho 0.4361415E+07 3,-3 4 3 -3 1.697830 -2.603348 -1.684069 Rho 0.4361415E+07 3,-3 5 3 -3 1.713210 2.562032 -1.903373 Rho 0.4361415E+07 3,-3 6 3 -3 -1.774712 2.459516 1.834657 Rho 0.4361415E+07 3,-3 7 3 -3 -0.119629 0.076545 3.592113 Rho 0.4361415E+07 3,-3 8 3 -3 -0.120178 0.069535 -3.563253 Rho 0.4361415E+07 3,-3 9 3 -3 2.631379 -3.633281 -2.793578 Rho 0.3191523E+03 3,-3 10 3 -3 2.865325 3.780462 -2.476070 Rho 0.3191569E+03 3,-3 11 3 -3 -2.816063 3.757379 2.449652 Rho 0.3191646E+03 3,-3 12 3 -3 1.110635 -1.130085 -0.018443 Rho 0.3186664E+03 3,-3 13 3 -3 -1.605246 -0.855563 0.110206 Rho 0.3185739E+03 3,-3 14 3 -3 -0.125170 0.889034 -1.375570 Rho 0.3186978E+03 3,-3 15 3 -3 -0.061345 0.915906 1.352370 Rho 0.3186938E+03 3,-3 16 3 -3 -1.453689 -1.051047 3.293746 Rho 0.3192172E+03 3,-3 17 3 -3 1.229230 -1.155141 -2.871010 Rho 0.3188169E+03 3,-3 18 3 -3 -2.927640 1.135616 1.442789 Rho 0.3191516E+03 3,-3 19 3 -3 2.949227 1.187057 -1.278216 Rho 0.3189180E+03 3,-3 20 3 -3 -1.464667 -1.045443 -3.272237 Rho 0.3192141E+03 3,-3 21 3 -3 2.947387 1.198983 1.312129 Rho 0.3189189E+03 3,-3 22 3 -3 -3.135725 1.376187 -1.640992 Rho 0.3192134E+03 3,-3 23 3 -3 1.238289 -1.129456 2.895218 Rho 0.3188152E+03 3,-3 24 3 -3 -1.631625 2.998090 -0.036772 Rho 0.3188231E+03 3,-3 25 3 -3 0.128625 -3.362344 1.732465 Rho 0.3192151E+03 3,-3 26 3 -3 1.603228 3.008983 -0.006645 Rho 0.3188643E+03 3,-3 27 3 -3 0.111238 -3.385002 -1.700261 Rho 0.3192106E+03 3,-3 28 3 -3 3.502853 -1.422111 -1.342879 Rho 0.3190744E+03 3,-3 29 3 -3 0.152833 -0.113351 -5.310586 Rho 0.3191517E+03 3,-3 30 3 -3 1.438488 1.530201 -3.447740 Rho 0.3189624E+03 3,-3 31 3 -3 -1.293282 1.644923 3.565548 Rho 0.3188918E+03 3,-3 32 3 -3 3.477861 -1.396386 1.345707 Rho 0.3190575E+03 3,-3 33 3 -3 -1.255460 1.666602 -3.592631 Rho 0.3188845E+03 3,-3 34 3 -3 1.389498 1.566426 3.469018 Rho 0.3189561E+03 3,-3 35 3 -3 0.136965 -0.097639 5.341101 Rho 0.3191541E+03 3,-3 36 3 -3 0.008987 3.437802 2.083725 Rho 0.3189265E+03 3,-3 37 3 -3 2.275138 -3.405898 0.013832 Rho 0.3188929E+03 3,-3 38 3 -3 0.081499 3.467918 -2.135349 Rho 0.3189558E+03 3,-3 39 3 -3 2.648489 -3.608545 2.825172 Rho 0.3191547E+03 3,-3 40 3 -3 5.372845 0.256891 -0.002057 Rho 0.3192711E+03 3,-3 41 3 -3 -2.652751 3.940936 -2.542348 Rho 0.3191542E+03 3,-3 42 3 -3 2.795691 3.798874 2.468258 Rho 0.3191592E+03 3,-3 43 3 -3 3.651453 -0.133443 -0.016301 Rho 0.1240652E+06 3,-3 44 3 -3 -0.154029 -0.060542 -0.001772 Rho 0.1943367E+04 3,-3 45 3 -3 -2.204549 -0.213211 0.592522 Rho 0.4367130E+00 3,-3 46 3 +3 -1.928973 1.038632 -0.201464 Rho 0.4195232E-02 |GRAD(Rho)| 0.9525769E-12 GRAD(Rho)x -0.8408014E-12 GRAD(Rho)y -0.2996231E-12 GRAD(Rho)z 0.3326886E-12 Laplacian 0.1677660E-01 (-1/4)Del**2(Rho)) -0.4194149E-02 Diamond 0.1161616E-03 Metallicity 0.4482317E+00 Ellipticity -0.4467169E+00 Gb(Abramov) 0.3109424E-02 Vb(Abramov) -0.2024700E-02 Hb(Abramov) 0.1084725E-02 Ex_ueg -0.4997195E-03 Ec_ueg -0.1124464E-03 Delta_ex -0.5803796E-03 Delta_ec 0.1241827E-03 Delta_et -0.8056578E-03 Pxc 0.4444067E+01 Qxc -0.4673595E+01 3,+3 47 3 -1 -2.966038 1.294087 -0.101807 Rho 0.7112826E-02 |GRAD(Rho)| 0.2148726E-16 GRAD(Rho)x 0.9056476E-17 GRAD(Rho)y 0.1448426E-16 GRAD(Rho)z -0.1303414E-16 Laplacian 0.2745045E-01 (-1/4)Del**2(Rho)) -0.6862613E-02 Diamond 0.1252010E-02 Metallicity 0.6603902E+00 Ellipticity 0.3835999E+00 Gb(Abramov) 0.5330409E-02 Vb(Abramov) -0.3798205E-02 Hb(Abramov) 0.1532204E-02 Ex_ueg -0.1010279E-02 Ec_ueg -0.2389395E-03 Delta_ex -0.1593081E-02 Delta_ec 0.1095763E-02 Delta_et -0.6524489E-02 Pxc 0.4228178E+01 Qxc -0.1453855E+01 3,-1 48 3 -1 -2.321539 0.356369 -0.726878 Rho 0.6195371E-02 |GRAD(Rho)| 0.7196663E-17 GRAD(Rho)x -0.5061869E-17 GRAD(Rho)y 0.4987330E-17 GRAD(Rho)z -0.1138412E-17 Laplacian 0.2347203E-01 (-1/4)Del**2(Rho)) -0.5868008E-02 Diamond 0.8762952E-03 Metallicity 0.6135378E+00 Ellipticity 0.3326941E+00 Gb(Abramov) 0.4512046E-02 Vb(Abramov) -0.3156084E-02 Hb(Abramov) 0.1355962E-02 Ex_ueg -0.8403783E-03 Ec_ueg -0.1987117E-03 Delta_ex -0.1318941E-02 Delta_ec 0.9209474E-03 Delta_et -0.5261998E-02 Pxc 0.4229133E+01 Qxc -0.1432156E+01 3,-1 49 3 +1 -2.746599 1.553417 -0.090747 Rho 0.6842277E-02 |GRAD(Rho)| 0.2211753E-17 GRAD(Rho)x -0.1228198E-17 GRAD(Rho)y -0.6708501E-18 GRAD(Rho)z -0.1712701E-17 Laplacian 0.2971546E-01 (-1/4)Del**2(Rho)) -0.7428864E-02 Diamond 0.8758512E-03 Metallicity 0.5718716E+00 Ellipticity -0.1835930E+01 Gb(Abramov) 0.5660635E-02 Vb(Abramov) -0.3892407E-02 Hb(Abramov) 0.1768229E-02 Ex_ueg -0.9593696E-03 Ec_ueg -0.2270351E-03 Delta_ex -0.1461185E-02 Delta_ec 0.7381364E-03 Delta_et -0.4479396E-02 Pxc 0.4225644E+01 Qxc -0.1979560E+01 3,+1 50 3 +1 -2.594816 0.658790 -0.252129 Rho 0.5327695E-02 |GRAD(Rho)| 0.1508330E-14 GRAD(Rho)x 0.3178881E-15 GRAD(Rho)y -0.4302656E-15 GRAD(Rho)z 0.1410276E-14 Laplacian 0.2016574E-01 (-1/4)Del**2(Rho)) -0.5041434E-02 Diamond 0.3852275E-03 Metallicity 0.5553473E+00 Ellipticity -0.1708689E+01 Gb(Abramov) 0.3827581E-02 Vb(Abramov) -0.2613727E-02 Hb(Abramov) 0.1213854E-02 Ex_ueg -0.6872334E-03 Ec_ueg -0.1610420E-03 Delta_ex -0.9067285E-03 Delta_ec 0.4416327E-03 Delta_et -0.2522161E-02 Pxc 0.4267417E+01 Qxc -0.2053128E+01 3,+1 51 3 +1 -0.810268 1.624567 -0.013278 Rho 0.8833698E-02 |GRAD(Rho)| 0.2642546E-16 GRAD(Rho)x -0.5794764E-17 GRAD(Rho)y 0.1303584E-16 GRAD(Rho)z 0.2224393E-16 Laplacian 0.3498872E-01 (-1/4)Del**2(Rho)) -0.8747181E-02 Diamond 0.9374910E-03 Metallicity 0.7434573E+00 Ellipticity -0.1402416E+01 Gb(Abramov) 0.6915313E-02 Vb(Abramov) -0.5083445E-02 Hb(Abramov) 0.1831868E-02 Ex_ueg -0.1348679E-02 Ec_ueg -0.3154485E-03 Delta_ex -0.1594666E-02 Delta_ec 0.4661845E-03 Delta_et -0.3229451E-02 Pxc 0.4275432E+01 Qxc -0.3420676E+01 3,+1 52 3 +1 -1.941916 0.513921 -0.847913 Rho 0.5843117E-02 |GRAD(Rho)| 0.3704280E-17 GRAD(Rho)x 0.3469447E-17 GRAD(Rho)y 0.6234162E-18 GRAD(Rho)z -0.1138412E-17 Laplacian 0.2259623E-01 (-1/4)Del**2(Rho)) -0.5649057E-02 Diamond 0.5023479E-03 Metallicity 0.5780759E+00 Ellipticity -0.1808247E+01 Gb(Abramov) 0.4310302E-02 Vb(Abramov) -0.2971547E-02 Hb(Abramov) 0.1338755E-02 Ex_ueg -0.7772806E-03 Ec_ueg -0.1833741E-03 Delta_ex -0.1046921E-02 Delta_ec 0.5129297E-03 Delta_et -0.2997538E-02 Pxc 0.4238771E+01 Qxc -0.2041061E+01 3,+1 53 3 -1 -2.387901 1.742088 1.622090 Rho 0.2076932E+00 |GRAD(Rho)| 0.6340362E-15 GRAD(Rho)x 0.2818926E-15 GRAD(Rho)y 0.5506121E-15 GRAD(Rho)z 0.1391573E-15 Laplacian 0.8100959E+00 (-1/4)Del**2(Rho)) -0.2025240E+00 Diamond 0.2384738E+01 Metallicity 0.6196033E+01 Ellipticity 0.3069483E-01 Gb(Abramov) 0.3441569E+00 Vb(Abramov) -0.4857898E+00 Hb(Abramov) -0.1416329E+00 Ex_ueg -0.9084088E-01 Ec_ueg -0.1223449E-01 Delta_ex -0.9413049E-01 Delta_ec 0.1838920E-01 Delta_et -0.2518224E+00 Pxc 0.7424980E+01 Qxc -0.5118793E+01 3,-1 54 3 -1 -2.519954 1.899612 -1.762747 Rho 0.2217007E+00 |GRAD(Rho)| 0.8863944E-15 GRAD(Rho)x 0.5872581E-15 GRAD(Rho)y 0.6272652E-15 GRAD(Rho)z -0.2176265E-15 Laplacian 0.8689997E+00 (-1/4)Del**2(Rho)) -0.2172499E+00 Diamond 0.2759047E+01 Metallicity 0.6439794E+01 Ellipticity 0.8785505E-02 Gb(Abramov) 0.3780074E+00 Vb(Abramov) -0.5387649E+00 Hb(Abramov) -0.1607575E+00 Ex_ueg -0.9910018E-01 Ec_ueg -0.1318331E-01 Delta_ex -0.1026452E+00 Delta_ec 0.1927957E-01 Delta_et -0.2646572E+00 Pxc 0.7517092E+01 Qxc -0.5324039E+01 3,-1 55 3 +1 2.487119 1.784416 0.010072 Rho 0.1267691E-01 |GRAD(Rho)| 0.1629594E-11 GRAD(Rho)x -0.5187427E-12 GRAD(Rho)y 0.1333687E-11 GRAD(Rho)z 0.7795912E-12 Laplacian 0.6328192E-01 (-1/4)Del**2(Rho)) -0.1582048E-01 Diamond 0.2669991E-02 Metallicity 0.7505086E+00 Ellipticity -0.1253433E+01 Gb(Abramov) 0.1252589E-01 Vb(Abramov) -0.9231295E-02 Hb(Abramov) 0.3294592E-02 Ex_ueg -0.2183079E-02 Ec_ueg -0.4909069E-03 Delta_ex -0.3138845E-02 Delta_ec 0.7907054E-03 Delta_et -0.6031745E-02 Pxc 0.4447033E+01 Qxc -0.3969676E+01 3,+1 56 3 +1 0.700452 -0.573568 1.510651 Rho 0.8986720E-02 |GRAD(Rho)| 0.1248721E-16 GRAD(Rho)x -0.3110517E-17 GRAD(Rho)y 0.3447275E-17 GRAD(Rho)z 0.1159186E-16 Laplacian 0.3682592E-01 (-1/4)Del**2(Rho)) -0.9206479E-02 Diamond 0.1031695E-02 Metallicity 0.7268782E+00 Ellipticity -0.1396132E+01 Gb(Abramov) 0.7252984E-02 Vb(Abramov) -0.5299489E-02 Hb(Abramov) 0.1953495E-02 Ex_ueg -0.1379918E-02 Ec_ueg -0.3223161E-03 Delta_ex -0.1694972E-02 Delta_ec 0.5070340E-03 Delta_et -0.3513860E-02 Pxc 0.4281258E+01 Qxc -0.3342917E+01 3,+1 57 3 +1 2.411400 -1.011433 -0.442286 Rho 0.1971320E-01 |GRAD(Rho)| 0.3877239E-13 GRAD(Rho)x 0.3724214E-13 GRAD(Rho)y 0.2746899E-14 GRAD(Rho)z -0.1042957E-13 Laplacian 0.7124727E-01 (-1/4)Del**2(Rho)) -0.1781182E-01 Diamond 0.6329440E-02 Metallicity 0.1391363E+01 Ellipticity -0.2855757E+01 Gb(Abramov) 0.1600499E-01 Vb(Abramov) -0.1419817E-01 Hb(Abramov) 0.1806823E-02 Ex_ueg -0.3933037E-02 Ec_ueg -0.8264055E-03 Delta_ex -0.4102444E-02 Delta_ec 0.1104728E-02 Delta_et -0.9231442E-02 Pxc 0.4759209E+01 Qxc -0.3713534E+01 3,+1 58 3 +3 1.621313 -0.010979 -1.530425 Rho 0.4050150E-02 |GRAD(Rho)| 0.8544202E-16 GRAD(Rho)x 0.3209999E-16 GRAD(Rho)y -0.7916689E-16 GRAD(Rho)z 0.1591569E-17 Laplacian 0.1671754E-01 (-1/4)Del**2(Rho)) -0.4179384E-02 Diamond 0.1251226E-03 Metallicity 0.4241890E+00 Ellipticity -0.2845978E+00 Gb(Abramov) 0.3081731E-02 Vb(Abramov) -0.1984078E-02 Hb(Abramov) 0.1097653E-02 Ex_ueg -0.4768113E-03 Ec_ueg -0.1062687E-03 Delta_ex -0.5912232E-03 Delta_ec 0.1561807E-03 Delta_et -0.9484410E-03 Pxc 0.4486845E+01 Qxc -0.3785507E+01 3,+3 59 3 +1 1.526157 0.429015 -0.781545 Rho 0.6234199E-02 |GRAD(Rho)| 0.1188272E-15 GRAD(Rho)x 0.6415758E-16 GRAD(Rho)y -0.8113879E-16 GRAD(Rho)z 0.5848261E-16 Laplacian 0.2324770E-01 (-1/4)Del**2(Rho)) -0.5811925E-02 Diamond 0.4368968E-03 Metallicity 0.6259422E+00 Ellipticity -0.1459641E+01 Gb(Abramov) 0.4480938E-02 Vb(Abramov) -0.3149951E-02 Hb(Abramov) 0.1330987E-02 Ex_ueg -0.8474080E-03 Ec_ueg -0.2004060E-03 Delta_ex -0.1004533E-02 Delta_ec 0.3706240E-03 Delta_et -0.2291970E-02 Pxc 0.4228456E+01 Qxc -0.2710384E+01 3,+1 60 3 +1 1.568953 0.395451 0.753916 Rho 0.6247045E-02 |GRAD(Rho)| 0.1375824E-15 GRAD(Rho)x 0.1125539E-15 GRAD(Rho)y -0.5130646E-16 GRAD(Rho)z -0.6023441E-16 Laplacian 0.2341360E-01 (-1/4)Del**2(Rho)) -0.5853400E-02 Diamond 0.4375421E-03 Metallicity 0.6236429E+00 Ellipticity -0.1444679E+01 Gb(Abramov) 0.4510672E-02 Vb(Abramov) -0.3167944E-02 Hb(Abramov) 0.1342728E-02 Ex_ueg -0.8497371E-03 Ec_ueg -0.2009668E-03 Delta_ex -0.1009647E-02 Delta_ec 0.3687085E-03 Delta_et -0.2284918E-02 Pxc 0.4228247E+01 Qxc -0.2738333E+01 3,+1 61 3 +3 1.650064 -0.050235 1.499054 Rho 0.4071096E-02 |GRAD(Rho)| 0.1215975E-15 GRAD(Rho)x -0.5359322E-16 GRAD(Rho)y -0.9712950E-16 GRAD(Rho)z -0.4979530E-16 Laplacian 0.1671253E-01 (-1/4)Del**2(Rho)) -0.4178133E-02 Diamond 0.1201734E-03 Metallicity 0.4279796E+00 Ellipticity -0.3014486E+00 Gb(Abramov) 0.3083448E-02 Vb(Abramov) -0.1988763E-02 Hb(Abramov) 0.1094685E-02 Ex_ueg -0.4801020E-03 Ec_ueg -0.1071599E-03 Delta_ex -0.5847456E-03 Delta_ec 0.1435107E-03 Delta_et -0.8900990E-03 Pxc 0.4480238E+01 Qxc -0.4074580E+01 3,+3 62 3 +1 2.139556 -0.085857 -1.985793 Rho 0.4984884E-02 |GRAD(Rho)| 0.8634728E-15 GRAD(Rho)x 0.5684279E-15 GRAD(Rho)y -0.5331976E-15 GRAD(Rho)z 0.3717194E-15 Laplacian 0.2031029E-01 (-1/4)Del**2(Rho)) -0.5077572E-02 Diamond 0.4947401E-03 Metallicity 0.4935398E+00 Ellipticity -0.4238589E+01 Gb(Abramov) 0.3802712E-02 Vb(Abramov) -0.2527852E-02 Hb(Abramov) 0.1274860E-02 Ex_ueg -0.6289148E-03 Ec_ueg -0.1462623E-03 Delta_ex -0.1030686E-02 Delta_ec 0.6778850E-03 Delta_et -0.3662637E-02 Pxc 0.4299909E+01 Qxc -0.1520443E+01 3,+1 63 3 +1 1.646580 -2.263074 0.055431 Rho 0.3049848E-01 |GRAD(Rho)| 0.1128915E-15 GRAD(Rho)x -0.2094123E-16 GRAD(Rho)y 0.1108770E-15 GRAD(Rho)z -0.3497461E-17 Laplacian 0.1220238E+00 (-1/4)Del**2(Rho)) -0.3050596E-01 Diamond 0.2072015E-01 Metallicity 0.1681249E+01 Ellipticity -0.4620895E+01 Gb(Abramov) 0.2888532E-01 Vb(Abramov) -0.2726469E-01 Hb(Abramov) 0.1620633E-02 Ex_ueg -0.7037567E-02 Ec_ueg -0.1369348E-02 Delta_ex -0.7983492E-02 Delta_ec 0.2030882E-02 Delta_et -0.1880750E-01 Pxc 0.5139357E+01 Qxc -0.3931047E+01 3,+1 64 3 -1 1.387471 -1.821876 0.830070 Rho 0.5506783E-01 |GRAD(Rho)| 0.2181430E-14 GRAD(Rho)x 0.5826174E-15 GRAD(Rho)y -0.1390145E-14 GRAD(Rho)z 0.1576925E-14 Laplacian 0.2080106E+00 (-1/4)Del**2(Rho)) -0.5200265E-01 Diamond 0.1188113E+00 Metallicity 0.2640530E+01 Ellipticity 0.1127963E-01 Gb(Abramov) 0.5755418E-01 Vb(Abramov) -0.6310572E-01 Hb(Abramov) -0.5551538E-02 Ex_ueg -0.1547328E-01 Ec_ueg -0.2696862E-02 Delta_ex -0.1749072E-01 Delta_ec 0.6097040E-02 Delta_et -0.6588451E-01 Pxc 0.5737512E+01 Qxc -0.2868724E+01 3,-1 65 3 -1 -1.467971 -0.843639 1.723734 Rho 0.6508121E-02 |GRAD(Rho)| 0.1092749E-14 GRAD(Rho)x 0.2334016E-15 GRAD(Rho)y -0.3331482E-15 GRAD(Rho)z 0.1014217E-14 Laplacian 0.2459849E-01 (-1/4)Del**2(Rho)) -0.6149623E-02 Diamond 0.9730659E-03 Metallicity 0.6355221E+00 Ellipticity 0.2714708E+00 Gb(Abramov) 0.4751119E-02 Vb(Abramov) -0.3352615E-02 Hb(Abramov) 0.1398504E-02 Ex_ueg -0.8974133E-03 Ec_ueg -0.2123797E-03 Delta_ex -0.1389539E-02 Delta_ec 0.9556484E-03 Delta_et -0.5545941E-02 Pxc 0.4225513E+01 Qxc -0.1454027E+01 3,-1 66 3 -1 1.437618 -1.828840 -2.305652 Rho 0.1434619E+00 |GRAD(Rho)| 0.1916423E-12 GRAD(Rho)x -0.3694945E-13 GRAD(Rho)y 0.1478920E-12 GRAD(Rho)z -0.1161442E-12 Laplacian 0.5951715E+00 (-1/4)Del**2(Rho)) -0.1487929E+00 Diamond 0.1152237E+01 Metallicity 0.4551964E+01 Ellipticity 0.7091761E-02 Gb(Abramov) 0.2120786E+00 Vb(Abramov) -0.2753643E+00 Hb(Abramov) -0.6328569E-01 Ex_ueg -0.5546691E-01 Ec_ueg -0.8026307E-02 Delta_ex -0.6331650E-01 Delta_ec 0.1543751E-01 Delta_et -0.2045657E+00 Pxc 0.6910640E+01 Qxc -0.4101470E+01 3,-1 67 3 -1 1.378716 -1.830033 -0.833471 Rho 0.6020268E-01 |GRAD(Rho)| 0.2408883E-16 GRAD(Rho)x -0.1291090E-16 GRAD(Rho)y -0.1636298E-16 GRAD(Rho)z -0.1207615E-16 Laplacian 0.2312359E+00 (-1/4)Del**2(Rho)) -0.5780896E-01 Diamond 0.1492070E+00 Metallicity 0.2755821E+01 Ellipticity 0.1531208E-01 Gb(Abramov) 0.6509117E-01 Vb(Abramov) -0.7237337E-01 Hb(Abramov) -0.7282203E-02 Ex_ueg -0.1742634E-01 Ec_ueg -0.2986151E-02 Delta_ex -0.1989459E-01 Delta_ec 0.6779527E-02 Delta_et -0.7493813E-01 Pxc 0.5835720E+01 Qxc -0.2934511E+01 3,-1 68 3 -1 1.451173 -1.806265 2.331430 Rho 0.1418483E+00 |GRAD(Rho)| 0.5184823E-15 GRAD(Rho)x 0.1142952E-15 GRAD(Rho)y -0.4741623E-15 GRAD(Rho)z -0.1758711E-15 Laplacian 0.5890261E+00 (-1/4)Del**2(Rho)) -0.1472565E+00 Diamond 0.1124644E+01 Metallicity 0.4513554E+01 Ellipticity 0.6253172E-02 Gb(Abramov) 0.2089461E+00 Vb(Abramov) -0.2706356E+00 Hb(Abramov) -0.6168955E-01 Ex_ueg -0.5463661E-01 Ec_ueg -0.7923745E-02 Delta_ex -0.6248701E-01 Delta_ec 0.1531442E-01 Delta_et -0.2025779E+00 Pxc 0.6895302E+01 Qxc -0.4080273E+01 3,-1 69 3 -1 2.202749 -3.157505 -2.280498 Rho 0.2187309E+00 |GRAD(Rho)| 0.7242428E-15 GRAD(Rho)x -0.3420116E-15 GRAD(Rho)y 0.3149065E-15 GRAD(Rho)z 0.5553284E-15 Laplacian 0.8256556E+00 (-1/4)Del**2(Rho)) -0.2064139E+00 Diamond 0.2608784E+01 Metallicity 0.6627215E+01 Ellipticity 0.1982233E-01 Gb(Abramov) 0.3656008E+00 Vb(Abramov) -0.5247878E+00 Hb(Abramov) -0.1591869E+00 Ex_ueg -0.9733414E-01 Ec_ueg -0.1298125E-01 Delta_ex -0.9736278E-01 Delta_ec 0.1870687E-01 Delta_et -0.2578956E+00 Pxc 0.7498059E+01 Qxc -0.5204653E+01 3,-1 70 3 -1 2.220403 -3.135286 2.310613 Rho 0.2194924E+00 |GRAD(Rho)| 0.5675055E-15 GRAD(Rho)x -0.1826881E-16 GRAD(Rho)y -0.3201649E-15 GRAD(Rho)z -0.4682127E-15 Laplacian 0.8237386E+00 (-1/4)Del**2(Rho)) -0.2059346E+00 Diamond 0.2617345E+01 Metallicity 0.6681226E+01 Ellipticity 0.1940830E-01 Gb(Abramov) 0.3666057E+00 Vb(Abramov) -0.5272768E+00 Hb(Abramov) -0.1606711E+00 Ex_ueg -0.9778622E-01 Ec_ueg -0.1303301E-01 Delta_ex -0.9724632E-01 Delta_ec 0.1868477E-01 Delta_et -0.2577986E+00 Pxc 0.7502964E+01 Qxc -0.5204578E+01 3,-1 71 3 +1 0.666600 -0.572404 -1.522582 Rho 0.9445770E-02 |GRAD(Rho)| 0.6367686E-12 GRAD(Rho)x -0.2531369E-12 GRAD(Rho)y 0.4757314E-12 GRAD(Rho)z -0.3392278E-12 Laplacian 0.3898044E-01 (-1/4)Del**2(Rho)) -0.9745109E-02 Diamond 0.1157815E-02 Metallicity 0.7461544E+00 Ellipticity -0.1398137E+01 Gb(Abramov) 0.7708632E-02 Vb(Abramov) -0.5672155E-02 Hb(Abramov) 0.2036477E-02 Ex_ueg -0.1474693E-02 Ec_ueg -0.3429793E-03 Delta_ex -0.1812735E-02 Delta_ec 0.5288424E-03 Delta_et -0.3718070E-02 Pxc 0.4299656E+01 Qxc -0.3427742E+01 3,+1 72 3 -1 -0.948648 1.673813 -1.612467 Rho 0.4853106E-01 |GRAD(Rho)| 0.3085974E-16 GRAD(Rho)x 0.5515879E-17 GRAD(Rho)y -0.2376986E-16 GRAD(Rho)z 0.1889159E-16 Laplacian 0.1785023E+00 (-1/4)Del**2(Rho)) -0.4462558E-01 Diamond 0.8504980E-01 Metallicity 0.2492694E+01 Ellipticity 0.9894731E-02 Gb(Abramov) 0.4829004E-01 Vb(Abramov) -0.5195450E-01 Hb(Abramov) -0.3664459E-02 Ex_ueg -0.1307409E-01 Ec_ueg -0.2333839E-02 Delta_ex -0.1450052E-01 Delta_ec 0.5172261E-02 Delta_et -0.5407819E-01 Pxc 0.5601968E+01 Qxc -0.2803518E+01 3,-1 73 3 +1 -1.540941 0.578388 0.992141 Rho 0.1264156E-01 |GRAD(Rho)| 0.1296388E-16 GRAD(Rho)x 0.2032879E-18 GRAD(Rho)y 0.1095722E-16 GRAD(Rho)z 0.6925341E-17 Laplacian 0.5177923E-01 (-1/4)Del**2(Rho)) -0.1294481E-01 Diamond 0.1985700E-02 Metallicity 0.9129742E+00 Ellipticity -0.1361679E+01 Gb(Abramov) 0.1059958E-01 Vb(Abramov) -0.8254361E-02 Hb(Abramov) 0.2345223E-02 Ex_ueg -0.2174966E-02 Ec_ueg -0.4892659E-03 Delta_ex -0.2515005E-02 Delta_ec 0.5552354E-03 Delta_et -0.4303813E-02 Pxc 0.4445366E+01 Qxc -0.4529619E+01 3,+1 74 3 +3 -1.697462 -0.131847 1.850161 Rho 0.5083880E-02 |GRAD(Rho)| 0.1659107E-15 GRAD(Rho)x -0.7093393E-16 GRAD(Rho)y 0.1060180E-15 GRAD(Rho)z -0.1060892E-15 Laplacian 0.2007746E-01 (-1/4)Del**2(Rho)) -0.5019365E-02 Diamond 0.2331900E-03 Metallicity 0.5158972E+00 Ellipticity -0.6397824E+00 Gb(Abramov) 0.3777823E-02 Vb(Abramov) -0.2536281E-02 Hb(Abramov) 0.1241542E-02 Ex_ueg -0.6456226E-03 Ec_ueg -0.1505243E-03 Delta_ex -0.7783855E-03 Delta_ec 0.2339720E-03 Delta_et -0.1437740E-02 Pxc 0.4289160E+01 Qxc -0.3326832E+01 3,+3 75 3 +3 1.497605 0.980806 -0.010166 Rho 0.3980391E-02 |GRAD(Rho)| 0.2967310E-17 GRAD(Rho)x -0.1102225E-17 GRAD(Rho)y -0.1261156E-17 GRAD(Rho)z -0.2449391E-17 Laplacian 0.1510672E-01 (-1/4)Del**2(Rho)) -0.3776680E-02 Diamond 0.8696223E-04 Metallicity 0.4560220E+00 Ellipticity -0.2554017E+00 Gb(Abramov) 0.2804828E-02 Vb(Abramov) -0.1832976E-02 Hb(Abramov) 0.9718517E-03 Ex_ueg -0.4658928E-03 Ec_ueg -0.1033022E-03 Delta_ex -0.5023788E-03 Delta_ec 0.8838546E-04 Delta_et -0.6077069E-03 Pxc 0.4509997E+01 Qxc -0.5683953E+01 3,+3 76 3 -1 0.671697 0.860819 3.510751 Rho 0.9164252E-01 |GRAD(Rho)| 0.3091978E-15 GRAD(Rho)x -0.1455033E-15 GRAD(Rho)y -0.2727412E-15 GRAD(Rho)z 0.6654714E-17 Laplacian 0.3686193E+00 (-1/4)Del**2(Rho)) -0.9215483E-01 Diamond 0.4084048E+00 Metallicity 0.3482278E+01 Ellipticity 0.2078477E-01 Gb(Abramov) 0.1149213E+00 Vb(Abramov) -0.1376879E+00 Hb(Abramov) -0.2276651E-01 Ex_ueg -0.3051507E-01 Ec_ueg -0.4821630E-02 Delta_ex -0.3512368E-01 Delta_ec 0.1033179E-01 Delta_et -0.1259277E+00 Pxc 0.6328788E+01 Qxc -0.3399573E+01 3,-1 77 3 +1 0.659253 1.659788 -0.040749 Rho 0.7344953E-02 |GRAD(Rho)| 0.1319713E-16 GRAD(Rho)x -0.5681315E-17 GRAD(Rho)y -0.1138711E-16 GRAD(Rho)z -0.3495798E-17 Laplacian 0.2875141E-01 (-1/4)Del**2(Rho)) -0.7187853E-02 Diamond 0.6304454E-03 Metallicity 0.6651747E+00 Ellipticity -0.1398192E+01 Gb(Abramov) 0.5588765E-02 Vb(Abramov) -0.3989677E-02 Hb(Abramov) 0.1599088E-02 Ex_ueg -0.1054477E-02 Ec_ueg -0.2491807E-03 Delta_ex -0.1267829E-02 Delta_ec 0.4142281E-03 Delta_et -0.2709944E-02 Pxc 0.4231776E+01 Qxc -0.3060702E+01 3,+1 78 3 +1 -1.177987 -0.583033 1.723813 Rho 0.6203259E-02 |GRAD(Rho)| 0.2609274E-16 GRAD(Rho)x 0.9459664E-17 GRAD(Rho)y -0.2431323E-16 GRAD(Rho)z -0.4607859E-18 Laplacian 0.2393208E-01 (-1/4)Del**2(Rho)) -0.5983021E-02 Diamond 0.5536796E-03 Metallicity 0.6030212E+00 Ellipticity -0.1763719E+01 Gb(Abramov) 0.4589995E-02 Vb(Abramov) -0.3196970E-02 Hb(Abramov) 0.1393026E-02 Ex_ueg -0.8418053E-03 Ec_ueg -0.1990559E-03 Delta_ex -0.1107364E-02 Delta_ec 0.5145295E-03 Delta_et -0.3074603E-02 Pxc 0.4228990E+01 Qxc -0.2152188E+01 3,+1 79 3 +1 0.052317 2.086125 -2.908555 Rho 0.1225221E-01 |GRAD(Rho)| 0.2423652E-16 GRAD(Rho)x -0.5174010E-17 GRAD(Rho)y 0.1992532E-16 GRAD(Rho)z 0.1279142E-16 Laplacian 0.5637290E-01 (-1/4)Del**2(Rho)) -0.1409323E-01 Diamond 0.1911501E-02 Metallicity 0.7959760E+00 Ellipticity -0.1170710E+01 Gb(Abramov) 0.1126513E-01 Vb(Abramov) -0.8437032E-02 Hb(Abramov) 0.2828097E-02 Ex_ueg -0.2086111E-02 Ec_ueg -0.4712243E-03 Delta_ex -0.2670223E-02 Delta_ec 0.5245928E-03 Delta_et -0.4111000E-02 Pxc 0.4427003E+01 Qxc -0.5090087E+01 3,+1 80 3 +1 -0.062485 2.159459 -1.744221 Rho 0.2362513E-01 |GRAD(Rho)| 0.1255648E-16 GRAD(Rho)x 0.1131663E-16 GRAD(Rho)y -0.5430263E-17 GRAD(Rho)z 0.3337953E-18 Laplacian 0.8917654E-01 (-1/4)Del**2(Rho)) -0.2229414E-01 Diamond 0.1098374E-01 Metallicity 0.1503095E+01 Ellipticity -0.4317504E+01 Gb(Abramov) 0.2044779E-01 Vb(Abramov) -0.1860144E-01 Hb(Abramov) 0.1846346E-02 Ex_ueg -0.5006691E-02 Ec_ueg -0.1019744E-02 Delta_ex -0.5486005E-02 Delta_ec 0.1553818E-02 Delta_et -0.1351558E-01 Pxc 0.4909753E+01 Qxc -0.3530661E+01 3,+1 81 3 +3 -0.011647 2.254659 -0.035467 Rho 0.4508019E-02 |GRAD(Rho)| 0.1138495E-16 GRAD(Rho)x -0.2541800E-17 GRAD(Rho)y -0.5479383E-17 GRAD(Rho)z 0.9650528E-17 Laplacian 0.1864412E-01 (-1/4)Del**2(Rho)) -0.4661029E-02 Diamond 0.1489275E-03 Metallicity 0.4546887E+00 Ellipticity -0.2958994E+00 Gb(Abramov) 0.3460572E-02 Vb(Abramov) -0.2260116E-02 Hb(Abramov) 0.1200457E-02 Ex_ueg -0.5500042E-03 Ec_ueg -0.1258027E-03 Delta_ex -0.6642554E-03 Delta_ec 0.1505292E-03 Delta_et -0.9707181E-03 Pxc 0.4371960E+01 Qxc -0.4412801E+01 3,+3 82 3 +1 0.002876 2.155048 1.706901 Rho 0.2689385E-01 |GRAD(Rho)| 0.1462042E-12 GRAD(Rho)x -0.1428392E-12 GRAD(Rho)y 0.2896398E-13 GRAD(Rho)z 0.1156300E-13 Laplacian 0.1045677E+00 (-1/4)Del**2(Rho)) -0.2614192E-01 Diamond 0.1537430E-01 Metallicity 0.1590880E+01 Ellipticity -0.4874203E+01 Gb(Abramov) 0.2435939E-01 Vb(Abramov) -0.2257686E-01 Hb(Abramov) 0.1782530E-02 Ex_ueg -0.5950988E-02 Ec_ueg -0.1184531E-02 Delta_ex -0.6656695E-02 Delta_ec 0.1818640E-02 Delta_et -0.1633315E-01 Pxc 0.5023917E+01 Qxc -0.3660259E+01 3,+1 83 3 +1 0.017687 2.066219 2.874394 Rho 0.1242826E-01 |GRAD(Rho)| 0.2773664E-15 GRAD(Rho)x -0.2378373E-15 GRAD(Rho)y 0.5408099E-16 GRAD(Rho)z -0.1320635E-15 Laplacian 0.5763465E-01 (-1/4)Del**2(Rho)) -0.1440866E-01 Diamond 0.1918649E-02 Metallicity 0.7972845E+00 Ellipticity -0.1135524E+01 Gb(Abramov) 0.1152041E-01 Vb(Abramov) -0.8632156E-02 Hb(Abramov) 0.2888254E-02 Ex_ueg -0.2126174E-02 Ec_ueg -0.4793749E-03 Delta_ex -0.2720206E-02 Delta_ec 0.4996511E-03 Delta_et -0.3966052E-02 Pxc 0.4435305E+01 Qxc -0.5444211E+01 3,+1 84 3 +1 -0.014250 2.975750 -0.268080 Rho 0.5697122E-02 |GRAD(Rho)| 0.5486246E-17 GRAD(Rho)x -0.4806593E-17 GRAD(Rho)y 0.1131612E-17 GRAD(Rho)z -0.2390610E-17 Laplacian 0.2354515E-01 (-1/4)Del**2(Rho)) -0.5886287E-02 Diamond 0.6182679E-03 Metallicity 0.5318685E+00 Ellipticity -0.2593202E+01 Gb(Abramov) 0.4445980E-02 Vb(Abramov) -0.3005673E-02 Hb(Abramov) 0.1440307E-02 Ex_ueg -0.7514945E-03 Ec_ueg -0.1770351E-03 Delta_ex -0.1172575E-02 Delta_ec 0.6910384E-03 Delta_et -0.3922770E-02 Pxc 0.4244890E+01 Qxc -0.1696831E+01 3,+1 85 3 +1 -0.017482 2.970233 0.191745 Rho 0.5724715E-02 |GRAD(Rho)| 0.1354869E-16 GRAD(Rho)x 0.1229155E-16 GRAD(Rho)y 0.5467725E-18 GRAD(Rho)z 0.5673253E-17 Laplacian 0.2363043E-01 (-1/4)Del**2(Rho)) -0.5907607E-02 Diamond 0.6448147E-03 Metallicity 0.5342339E+00 Ellipticity -0.3115906E+01 Gb(Abramov) 0.4464412E-02 Vb(Abramov) -0.3021217E-02 Hb(Abramov) 0.1443195E-02 Ex_ueg -0.7563513E-03 Ec_ueg -0.1782323E-03 Delta_ex -0.1193674E-02 Delta_ec 0.7215812E-03 Delta_et -0.4090084E-02 Pxc 0.4243626E+01 Qxc -0.1654247E+01 3,+1 86 3 -1 0.695991 0.838636 -3.485954 Rho 0.8826610E-01 |GRAD(Rho)| 0.2049997E-15 GRAD(Rho)x -0.9429510E-16 GRAD(Rho)y -0.1819190E-15 GRAD(Rho)z 0.6229080E-17 Laplacian 0.3539806E+00 (-1/4)Del**2(Rho)) -0.8849514E-01 Diamond 0.3744827E+00 Metallicity 0.3406358E+01 Ellipticity 0.1973958E-01 Gb(Abramov) 0.1092378E+00 Vb(Abramov) -0.1299804E+00 Hb(Abramov) -0.2074264E-01 Ex_ueg -0.2902532E-01 Ec_ueg -0.4619917E-02 Delta_ex -0.3343227E-01 Delta_ec 0.9990847E-02 Delta_et -0.1208091E+00 Pxc 0.6282648E+01 Qxc -0.3346290E+01 3,-1 87 3 +1 2.167596 -0.091408 2.003367 Rho 0.5159563E-02 |GRAD(Rho)| 0.4398343E-15 GRAD(Rho)x 0.1791009E-15 GRAD(Rho)y -0.3087547E-15 GRAD(Rho)z -0.2569973E-15 Laplacian 0.2098123E-01 (-1/4)Del**2(Rho)) -0.5245306E-02 Diamond 0.5139944E-03 Metallicity 0.5059845E+00 Ellipticity -0.3198603E+01 Gb(Abramov) 0.3939212E-02 Vb(Abramov) -0.2633117E-02 Hb(Abramov) 0.1306095E-02 Ex_ueg -0.6584695E-03 Ec_ueg -0.1537859E-03 Delta_ex -0.1052731E-02 Delta_ec 0.6664127E-03 Delta_et -0.3651166E-02 Pxc 0.4281728E+01 Qxc -0.1579699E+01 3,+1 88 3 +3 0.028304 1.924837 -2.689319 Rho 0.1201952E-01 |GRAD(Rho)| 0.2102099E-16 GRAD(Rho)x -0.1923396E-16 GRAD(Rho)y -0.4806831E-17 GRAD(Rho)z 0.6987916E-17 Laplacian 0.5414675E-01 (-1/4)Del**2(Rho)) -0.1353669E-01 Diamond 0.1216361E-02 Metallicity 0.8026374E+00 Ellipticity -0.6856405E+00 Gb(Abramov) 0.1083530E-01 Vb(Abramov) -0.8133913E-02 Hb(Abramov) 0.2701387E-02 Ex_ueg -0.2033455E-02 Ec_ueg -0.4604703E-03 Delta_ex -0.2386409E-02 Delta_ec 0.2095438E-03 Delta_et -0.1950598E-02 Pxc 0.4416040E+01 Qxc -0.1138859E+02 3,+3 89 3 +1 0.650681 1.217367 -2.383067 Rho 0.2461223E-01 |GRAD(Rho)| 0.1552573E-15 GRAD(Rho)x 0.9199515E-16 GRAD(Rho)y 0.1032429E-15 GRAD(Rho)z -0.7058773E-16 Laplacian 0.9378872E-01 (-1/4)Del**2(Rho)) -0.2344718E-01 Diamond 0.1235438E-01 Metallicity 0.1530080E+01 Ellipticity -0.4897080E+01 Gb(Abramov) 0.2161080E-01 Vb(Abramov) -0.1977441E-01 Hb(Abramov) 0.1836385E-02 Ex_ueg -0.5287531E-02 Ec_ueg -0.1069210E-02 Delta_ex -0.5847559E-02 Delta_ec 0.1660620E-02 Delta_et -0.1458581E-01 Pxc 0.4945268E+01 Qxc -0.3521310E+01 3,+1 90 3 +1 2.405121 -1.002358 0.417154 Rho 0.1968902E-01 |GRAD(Rho)| 0.1671374E-14 GRAD(Rho)x 0.1579722E-14 GRAD(Rho)y 0.5449758E-15 GRAD(Rho)z -0.3120479E-16 Laplacian 0.7124279E-01 (-1/4)Del**2(Rho)) -0.1781070E-01 Diamond 0.6334522E-02 Metallicity 0.1388606E+01 Ellipticity -0.2863638E+01 Gb(Abramov) 0.1599581E-01 Vb(Abramov) -0.1418091E-01 Hb(Abramov) 0.1814892E-02 Ex_ueg -0.3926605E-02 Ec_ueg -0.8252243E-03 Delta_ex -0.4103258E-02 Delta_ec 0.1108967E-02 Delta_et -0.9262282E-02 Pxc 0.4758227E+01 Qxc -0.3700072E+01 3,+1 91 3 -1 -0.804903 3.002904 -2.019650 Rho 0.9124924E-01 |GRAD(Rho)| 0.3279098E-15 GRAD(Rho)x -0.2872797E-15 GRAD(Rho)y -0.1518307E-15 GRAD(Rho)z 0.4407578E-16 Laplacian 0.3677707E+00 (-1/4)Del**2(Rho)) -0.9194269E-01 Diamond 0.4053839E+00 Metallicity 0.3465384E+01 Ellipticity 0.1799011E-01 Gb(Abramov) 0.1143979E+00 Vb(Abramov) -0.1368531E+00 Hb(Abramov) -0.2245523E-01 Ex_ueg -0.3034059E-01 Ec_ueg -0.4798084E-02 Delta_ex -0.3500865E-01 Delta_ec 0.1031866E-01 Delta_et -0.1256568E+00 Pxc 0.6323481E+01 Qxc -0.3392750E+01 3,-1 92 3 -1 2.365950 -0.663914 -0.018090 Rho 0.2214567E-01 |GRAD(Rho)| 0.1528239E-13 GRAD(Rho)x 0.2623989E-14 GRAD(Rho)y -0.1029408E-13 GRAD(Rho)z 0.1098626E-13 Laplacian 0.8319953E-01 (-1/4)Del**2(Rho)) -0.2079988E-01 Diamond 0.1266373E-01 Metallicity 0.1446462E+01 Ellipticity 0.1018406E+00 Gb(Abramov) 0.1888096E-01 Vb(Abramov) -0.1696204E-01 Hb(Abramov) 0.1918922E-02 Ex_ueg -0.4593074E-02 Ec_ueg -0.9461055E-03 Delta_ex -0.5451271E-02 Delta_ec 0.2199075E-02 Delta_et -0.1859362E-01 Pxc 0.4854717E+01 Qxc -0.2478893E+01 3,-1 93 3 -1 3.554100 -0.816933 -0.717212 Rho 0.1686278E+00 |GRAD(Rho)| 0.1609387E-15 GRAD(Rho)x 0.1169177E-15 GRAD(Rho)y -0.4203994E-16 GRAD(Rho)z 0.1022945E-15 Laplacian 0.6439661E+00 (-1/4)Del**2(Rho)) -0.1609915E+00 Diamond 0.1492162E+01 Metallicity 0.5507638E+01 Ellipticity 0.4849787E-01 Gb(Abramov) 0.2551082E+00 Vb(Abramov) -0.3492249E+00 Hb(Abramov) -0.9411667E-01 Ex_ueg -0.6880562E-01 Ec_ueg -0.9646438E-02 Delta_ex -0.7110686E-01 Delta_ec 0.1571291E-01 Delta_et -0.2119374E+00 Pxc 0.7132749E+01 Qxc -0.4525378E+01 3,-1 94 3 -1 3.539777 -0.802081 0.703571 Rho 0.1643119E+00 |GRAD(Rho)| 0.4448792E-11 GRAD(Rho)x -0.5056502E-12 GRAD(Rho)y -0.3009141E-11 GRAD(Rho)z 0.3237459E-11 Laplacian 0.6297087E+00 (-1/4)Del**2(Rho)) -0.1574272E+00 Diamond 0.1414061E+01 Metallicity 0.5394133E+01 Ellipticity 0.4435848E-01 Gb(Abramov) 0.2464820E+00 Vb(Abramov) -0.3355368E+00 Hb(Abramov) -0.8905479E-01 Ex_ueg -0.6646764E-01 Ec_ueg -0.9365887E-02 Delta_ex -0.6908104E-01 Delta_ec 0.1546279E-01 Delta_et -0.2079144E+00 Pxc 0.7096780E+01 Qxc -0.4467566E+01 3,-1 95 3 -1 -1.696386 2.731460 0.837508 Rho 0.1356923E+00 |GRAD(Rho)| 0.1652631E-15 GRAD(Rho)x -0.9874710E-17 GRAD(Rho)y 0.7531139E-16 GRAD(Rho)z -0.1467739E-15 Laplacian 0.5630523E+00 (-1/4)Del**2(Rho)) -0.1407631E+00 Diamond 0.1018364E+01 Metallicity 0.4385204E+01 Ellipticity 0.9539853E-02 Gb(Abramov) 0.1967212E+00 Vb(Abramov) -0.2526793E+00 Hb(Abramov) -0.5595810E-01 Ex_ueg -0.5149819E-01 Ec_ueg -0.7534005E-02 Delta_ex -0.5908172E-01 Delta_ec 0.1477900E-01 Delta_et -0.1941244E+00 Pxc 0.6835434E+01 Qxc -0.3997681E+01 3,-1 96 3 +1 -1.848932 -0.232018 1.864104 Rho 0.5109466E-02 |GRAD(Rho)| 0.2972943E-16 GRAD(Rho)x 0.2317482E-16 GRAD(Rho)y 0.4351208E-17 GRAD(Rho)z 0.1810618E-16 Laplacian 0.1965963E-01 (-1/4)Del**2(Rho)) -0.4914906E-02 Diamond 0.2967506E-03 Metallicity 0.5312886E+00 Ellipticity -0.1281316E+01 Gb(Abramov) 0.3711810E-02 Vb(Abramov) -0.2508713E-02 Hb(Abramov) 0.1203097E-02 Ex_ueg -0.6499587E-03 Ec_ueg -0.1516266E-03 Delta_ex -0.8234503E-03 Delta_ec 0.3367827E-03 Delta_et -0.1954793E-02 Pxc 0.4286574E+01 Qxc -0.2445049E+01 3,+1 97 3 +3 0.007052 1.931386 2.706139 Rho 0.1230968E-01 |GRAD(Rho)| 0.7873926E-17 GRAD(Rho)x 0.3631243E-17 GRAD(Rho)y 0.4406852E-18 GRAD(Rho)z -0.6972702E-17 Laplacian 0.5617673E-01 (-1/4)Del**2(Rho)) -0.1404418E-01 Diamond 0.1355012E-02 Metallicity 0.8050100E+00 Ellipticity -0.7795727E+00 Gb(Abramov) 0.1124707E-01 Vb(Abramov) -0.8449964E-02 Hb(Abramov) 0.2797110E-02 Ex_ueg -0.2099169E-02 Ec_ueg -0.4738837E-03 Delta_ex -0.2507336E-02 Delta_ec 0.2424027E-03 Delta_et -0.2197883E-02 Pxc 0.4429713E+01 Qxc -0.1034368E+02 3,+3 98 3 +1 -0.688080 1.215154 2.445907 Rho 0.2769459E-01 |GRAD(Rho)| 0.5546278E-13 GRAD(Rho)x 0.4782021E-13 GRAD(Rho)y 0.2358566E-13 GRAD(Rho)z -0.1526643E-13 Laplacian 0.1038505E+00 (-1/4)Del**2(Rho)) -0.2596262E-01 Diamond 0.1476985E-01 Metallicity 0.1682143E+01 Ellipticity -0.3861002E+01 Gb(Abramov) 0.2458722E-01 Vb(Abramov) -0.2321182E-01 Hb(Abramov) 0.1375399E-02 Ex_ueg -0.6188401E-02 Ec_ueg -0.1225317E-02 Delta_ex -0.6556229E-02 Delta_ec 0.1615271E-02 Delta_et -0.1463953E-01 Pxc 0.5050449E+01 Qxc -0.4058904E+01 3,+1 99 3 -1 1.556604 2.000747 -2.719193 Rho 0.1699955E+00 |GRAD(Rho)| 0.2099936E-11 GRAD(Rho)x -0.2990493E-12 GRAD(Rho)y -0.1126584E-11 GRAD(Rho)z -0.1746742E-11 Laplacian 0.6569905E+00 (-1/4)Del**2(Rho)) -0.1642476E+00 Diamond 0.1548312E+01 Metallicity 0.5471627E+01 Ellipticity 0.4015764E-01 Gb(Abramov) 0.2592820E+00 Vb(Abramov) -0.3543164E+00 Hb(Abramov) -0.9503441E-01 Ex_ueg -0.6955072E-01 Ec_ueg -0.9735572E-02 Delta_ex -0.7278561E-01 Delta_ec 0.1616471E-01 Delta_et -0.2186993E+00 Pxc 0.7143979E+01 Qxc -0.4502746E+01 3,-1 100 3 -1 1.524003 2.008096 2.720343 Rho 0.1667623E+00 |GRAD(Rho)| 0.2836328E-15 GRAD(Rho)x 0.1928592E-15 GRAD(Rho)y -0.1475599E-15 GRAD(Rho)z 0.1465570E-15 Laplacian 0.6485251E+00 (-1/4)Del**2(Rho)) -0.1621313E+00 Diamond 0.1492155E+01 Metallicity 0.5368459E+01 Ellipticity 0.4393551E-01 Gb(Abramov) 0.2531534E+00 Vb(Abramov) -0.3441755E+00 Hb(Abramov) -0.9102210E-01 Ex_ueg -0.6779261E-01 Ec_ueg -0.9525043E-02 Delta_ex -0.7149254E-01 Delta_ec 0.1601438E-01 Delta_et -0.2161165E+00 Pxc 0.7117303E+01 Qxc -0.4464272E+01 3,-1 101 3 -1 0.777873 1.699473 -1.621738 Rho 0.3490623E-01 |GRAD(Rho)| 0.4922483E-16 GRAD(Rho)x -0.2878017E-16 GRAD(Rho)y -0.3910317E-16 GRAD(Rho)z -0.8107270E-17 Laplacian 0.1269068E+00 (-1/4)Del**2(Rho)) -0.3172670E-01 Diamond 0.3722728E-01 Metallicity 0.2024416E+01 Ellipticity 0.2470627E-01 Gb(Abramov) 0.3185581E-01 Vb(Abramov) -0.3198491E-01 Hb(Abramov) -0.1291081E-03 Ex_ueg -0.8425369E-02 Ec_ueg -0.1599343E-02 Delta_ex -0.9397811E-02 Delta_ec 0.3512049E-02 Delta_et -0.3362657E-01 Pxc 0.5268018E+01 Qxc -0.2675877E+01 3,-1 102 3 -1 2.635783 -1.974547 -1.493873 Rho 0.7879786E-01 |GRAD(Rho)| 0.2102659E-15 GRAD(Rho)x -0.3462332E-16 GRAD(Rho)y -0.2073825E-15 GRAD(Rho)z -0.2341623E-17 Laplacian 0.3142067E+00 (-1/4)Del**2(Rho)) -0.7855166E-01 Diamond 0.2894396E+00 Metallicity 0.3176302E+01 Ellipticity 0.1673755E-01 Gb(Abramov) 0.9395174E-01 Vb(Abramov) -0.1093518E+00 Hb(Abramov) -0.1540008E-01 Ex_ueg -0.2495002E-01 Ec_ueg -0.4059751E-02 Delta_ex -0.2891061E-01 Delta_ec 0.9069710E-02 Delta_et -0.1069896E+00 Pxc 0.6145703E+01 Qxc -0.3187601E+01 3,-1 103 3 +1 2.925038 -2.009831 0.001096 Rho 0.1179651E-01 |GRAD(Rho)| 0.1276490E-16 GRAD(Rho)x -0.1207991E-16 GRAD(Rho)y -0.2900820E-17 GRAD(Rho)z 0.2933181E-17 Laplacian 0.5449692E-01 (-1/4)Del**2(Rho)) -0.1362423E-01 Diamond 0.1834917E-02 Metallicity 0.7729721E+00 Ellipticity -0.1197777E+01 Gb(Abramov) 0.1083801E-01 Vb(Abramov) -0.8051793E-02 Hb(Abramov) 0.2786219E-02 Ex_ueg -0.1983306E-02 Ec_ueg -0.4501834E-03 Delta_ex -0.2578563E-02 Delta_ec 0.5499838E-03 Delta_et -0.4228771E-02 Pxc 0.4405552E+01 Qxc -0.4688435E+01 3,+1 104 3 -1 4.569436 0.074002 -0.008686 Rho 0.2119408E+00 |GRAD(Rho)| 0.2179978E-13 GRAD(Rho)x -0.4644885E-14 GRAD(Rho)y -0.1187459E-13 GRAD(Rho)z -0.1768191E-13 Laplacian 0.7514181E+00 (-1/4)Del**2(Rho)) -0.1878545E+00 Diamond 0.2308335E+01 Metallicity 0.6909117E+01 Ellipticity 0.1314688E-02 Gb(Abramov) 0.3415545E+00 Vb(Abramov) -0.4952545E+00 Hb(Abramov) -0.1537000E+00 Ex_ueg -0.9332640E-01 Ec_ueg -0.1252107E-01 Delta_ex -0.8803184E-01 Delta_ec 0.1742940E-01 Delta_et -0.2407708E+00 Pxc 0.7453549E+01 Qxc -0.5050767E+01 3,-1 105 3 -1 -1.710305 2.757740 -0.907929 Rho 0.1416770E+00 |GRAD(Rho)| 0.2569346E-13 GRAD(Rho)x -0.5523407E-14 GRAD(Rho)y 0.6301925E-18 GRAD(Rho)z -0.2509275E-13 Laplacian 0.5846431E+00 (-1/4)Del**2(Rho)) -0.1461608E+00 Diamond 0.1113842E+01 Metallicity 0.4538243E+01 Ellipticity 0.6731472E-02 Gb(Abramov) 0.2079927E+00 Vb(Abramov) -0.2698246E+00 Hb(Abramov) -0.6183192E-01 Ex_ueg -0.5454865E-01 Ec_ueg -0.7912867E-02 Delta_ex -0.6199504E-01 Delta_ec 0.1518930E-01 Delta_et -0.2008534E+00 Pxc 0.6893665E+01 Qxc -0.4081493E+01 3,-1 106 3 -1 0.793437 3.001272 1.981745 Rho 0.1494428E+00 |GRAD(Rho)| 0.1310594E-14 GRAD(Rho)x 0.1295920E-14 GRAD(Rho)y -0.1870520E-15 GRAD(Rho)z 0.5709002E-16 Laplacian 0.5814223E+00 (-1/4)Del**2(Rho)) -0.1453556E+00 Diamond 0.1174797E+01 Metallicity 0.4987845E+01 Ellipticity 0.4042949E-01 Gb(Abramov) 0.2177389E+00 Vb(Abramov) -0.2901222E+00 Hb(Abramov) -0.7238333E-01 Ex_ueg -0.5857131E-01 Ec_ueg -0.8407853E-02 Delta_ex -0.6240021E-01 Delta_ec 0.1479783E-01 Delta_et -0.1969600E+00 Pxc 0.6966262E+01 Qxc -0.4216848E+01 3,-1 107 3 -1 -0.015439 2.967215 -0.006564 Rho 0.5750127E-02 |GRAD(Rho)| 0.1862879E-16 GRAD(Rho)x 0.1858732E-16 GRAD(Rho)y -0.1069729E-17 GRAD(Rho)z 0.6318105E-18 Laplacian 0.2317235E-01 (-1/4)Del**2(Rho)) -0.5793087E-02 Diamond 0.7481891E-03 Metallicity 0.5488313E+00 Ellipticity 0.3080071E+01 Gb(Abramov) 0.4391962E-02 Vb(Abramov) -0.2990838E-02 Hb(Abramov) 0.1401124E-02 Ex_ueg -0.7608312E-03 Ec_ueg -0.1793353E-03 Delta_ex -0.1257954E-02 Delta_ec 0.8618301E-03 Delta_et -0.4828359E-02 Pxc 0.4242507E+01 Qxc -0.1459631E+01 3,-1 108 3 -1 2.632783 -1.950409 1.508049 Rho 0.8455162E-01 |GRAD(Rho)| 0.1292415E-14 GRAD(Rho)x -0.7191920E-15 GRAD(Rho)y -0.8696843E-15 GRAD(Rho)z 0.6298791E-15 Laplacian 0.3396009E+00 (-1/4)Del**2(Rho)) -0.8490023E-01 Diamond 0.3419949E+00 Metallicity 0.3305072E+01 Ellipticity 0.1743926E-01 Gb(Abramov) 0.1033670E+00 Vb(Abramov) -0.1218339E+00 Hb(Abramov) -0.1846681E-01 Ex_ueg -0.2740823E-01 Ec_ueg -0.4399172E-02 Delta_ex -0.3177968E-01 Delta_ec 0.9708576E-02 Delta_et -0.1163561E+00 Pxc 0.6230315E+01 Qxc -0.3273362E+01 3,-1 109 3 -1 2.359175 1.827658 -1.557783 Rho 0.1364007E+00 |GRAD(Rho)| 0.8612733E-16 GRAD(Rho)x -0.9107298E-17 GRAD(Rho)y -0.8558421E-16 GRAD(Rho)z 0.3211949E-17 Laplacian 0.5719341E+00 (-1/4)Del**2(Rho)) -0.1429835E+00 Diamond 0.1035337E+01 Metallicity 0.4354732E+01 Ellipticity 0.1372345E-01 Gb(Abramov) 0.1990982E+00 Vb(Abramov) -0.2552128E+00 Hb(Abramov) -0.5611465E-01 Ex_ueg -0.5185697E-01 Ec_ueg -0.7578730E-02 Delta_ex -0.6002629E-01 Delta_ec 0.1488063E-01 Delta_et -0.1953957E+00 Pxc 0.6842435E+01 Qxc -0.4033855E+01 3,-1 110 3 -1 2.354407 1.819199 1.563797 Rho 0.1505749E+00 |GRAD(Rho)| 0.8743101E-13 GRAD(Rho)x -0.4960550E-13 GRAD(Rho)y 0.6361548E-13 GRAD(Rho)z 0.3371269E-13 Laplacian 0.6255171E+00 (-1/4)Del**2(Rho)) -0.1563793E+00 Diamond 0.1269544E+01 Metallicity 0.4694919E+01 Ellipticity 0.2216405E-01 Gb(Abramov) 0.2266175E+00 Vb(Abramov) -0.2968558E+00 Hb(Abramov) -0.7023825E-01 Ex_ueg -0.5916366E-01 Ec_ueg -0.8480324E-02 Delta_ex -0.6719916E-01 Delta_ec 0.1578666E-01 Delta_et -0.2101030E+00 Pxc 0.6976580E+01 Qxc -0.4256706E+01 3,-1 111 3 -1 3.264978 0.564532 -0.670379 Rho 0.1270813E+00 |GRAD(Rho)| 0.1604432E-15 GRAD(Rho)x 0.5849948E-16 GRAD(Rho)y -0.4422867E-16 GRAD(Rho)z 0.1427013E-15 Laplacian 0.5283424E+00 (-1/4)Del**2(Rho)) -0.1320856E+00 Diamond 0.8671380E+00 Metallicity 0.4189550E+01 Ellipticity 0.1378120E-01 Gb(Abramov) 0.1802869E+00 Vb(Abramov) -0.2284883E+00 Hb(Abramov) -0.4820133E-01 Ex_ueg -0.4718755E-01 Ec_ueg -0.6992966E-02 Delta_ex -0.5437120E-01 Delta_ec 0.1373019E-01 Delta_et -0.1777990E+00 Pxc 0.6747860E+01 Qxc -0.3959974E+01 3,-1 112 3 -1 3.265486 0.568054 0.671733 Rho 0.1120000E+00 |GRAD(Rho)| 0.3874587E-14 GRAD(Rho)x 0.1918052E-14 GRAD(Rho)y -0.2452099E-14 GRAD(Rho)z -0.2306667E-14 Laplacian 0.4620208E+00 (-1/4)Del**2(Rho)) -0.1155052E+00 Diamond 0.6523126E+00 Metallicity 0.3881343E+01 Ellipticity 0.9910240E-02 Gb(Abramov) 0.1517227E+00 Vb(Abramov) -0.1879402E+00 Hb(Abramov) -0.3621748E-01 Ex_ueg -0.3987273E-01 Ec_ueg -0.6057537E-02 Delta_ex -0.4614423E-01 Delta_ec 0.1239173E-01 Delta_et -0.1570561E+00 Pxc 0.6582335E+01 Qxc -0.3723792E+01 3,-1 113 3 -1 -0.824855 2.961916 1.960149 Rho 0.1104018E+00 |GRAD(Rho)| 0.1506914E-15 GRAD(Rho)x 0.1266890E-15 GRAD(Rho)y -0.8137615E-16 GRAD(Rho)z -0.5975817E-17 Laplacian 0.4387713E+00 (-1/4)Del**2(Rho)) -0.1096928E+00 Diamond 0.6104079E+00 Metallicity 0.3990265E+01 Ellipticity 0.2556888E-01 Gb(Abramov) 0.1460791E+00 Vb(Abramov) -0.1824654E+00 Hb(Abramov) -0.3638629E-01 Ex_ueg -0.3911588E-01 Ec_ueg -0.5959351E-02 Delta_ex -0.4369645E-01 Delta_ec 0.1184846E-01 Delta_et -0.1498380E+00 Pxc 0.6563782E+01 Qxc -0.3687942E+01 3,-1 114 3 -1 -2.425708 0.250336 0.877509 Rho 0.4044195E-01 |GRAD(Rho)| 0.9598731E-17 GRAD(Rho)x 0.3676729E-17 GRAD(Rho)y 0.5831481E-17 GRAD(Rho)z -0.6679156E-17 Laplacian 0.1171472E+00 (-1/4)Del**2(Rho)) -0.2928680E-01 Diamond 0.6689912E-01 Metallicity 0.2802860E+01 Ellipticity 0.2977143E-01 Gb(Abramov) 0.3320567E-01 Vb(Abramov) -0.3712453E-01 Hb(Abramov) -0.3918866E-02 Ex_ueg -0.1025245E-01 Ec_ueg -0.1893786E-02 Delta_ex -0.1042560E-01 Delta_ec 0.5782384E-02 Delta_et -0.5791677E-01 Pxc 0.5413734E+01 Qxc -0.1802993E+01 3,-1 115 3 -1 0.027712 -0.027105 -4.504639 Rho 0.2190879E+00 |GRAD(Rho)| 0.3483979E-12 GRAD(Rho)x -0.6012454E-13 GRAD(Rho)y 0.4378031E-13 GRAD(Rho)z 0.3403666E-12 Laplacian 0.8234054E+00 (-1/4)Del**2(Rho)) -0.2058514E+00 Diamond 0.2609475E+01 Metallicity 0.6663412E+01 Ellipticity 0.1987892E-01 Gb(Abramov) 0.3658463E+00 Vb(Abramov) -0.5258412E+00 Hb(Abramov) -0.1599949E+00 Ex_ueg -0.9754601E-01 Ec_ueg -0.1300551E-01 Delta_ex -0.9715456E-01 Delta_ec 0.1867614E-01 Delta_et -0.2576095E+00 Pxc 0.7500360E+01 Qxc -0.5202070E+01 3,-1 116 3 -1 -0.845511 -0.530066 -3.404022 Rho 0.2228011E+00 |GRAD(Rho)| 0.8098702E-13 GRAD(Rho)x 0.6183536E-13 GRAD(Rho)y 0.4993179E-13 GRAD(Rho)z -0.1555963E-13 Laplacian 0.8716657E+00 (-1/4)Del**2(Rho)) -0.2179164E+00 Diamond 0.2785976E+01 Metallicity 0.6473293E+01 Ellipticity 0.8726088E-02 Gb(Abramov) 0.3803838E+00 Vb(Abramov) -0.5428511E+00 Hb(Abramov) -0.1624673E+00 Ex_ueg -0.9975654E-01 Ec_ueg -0.1325831E-01 Delta_ex -0.1031039E+00 Delta_ec 0.1933133E-01 Delta_et -0.2655115E+00 Pxc 0.7524078E+01 Qxc -0.5333511E+01 3,-1 117 3 -1 -0.756408 -0.380178 0.048022 Rho 0.1394115E+00 |GRAD(Rho)| 0.3955266E-15 GRAD(Rho)x -0.3590346E-15 GRAD(Rho)y -0.1641806E-15 GRAD(Rho)z 0.2408725E-16 Laplacian 0.7076154E+00 (-1/4)Del**2(Rho)) -0.1769039E+00 Diamond 0.1587108E+01 Metallicity 0.3650176E+01 Ellipticity 0.8509454E-01 Gb(Abramov) 0.2255576E+00 Vb(Abramov) -0.2742113E+00 Hb(Abramov) -0.4865374E-01 Ex_ueg -0.5338879E-01 Ec_ueg -0.7769185E-02 Delta_ex -0.7764997E-01 Delta_ec 0.2364933E-01 Delta_et -0.3226087E+00 Pxc 0.6871865E+01 Qxc -0.3283390E+01 3,-1 118 3 -1 0.842152 -3.024250 -1.690605 Rho 0.2239557E+00 |GRAD(Rho)| 0.9852488E-14 GRAD(Rho)x -0.1398296E-14 GRAD(Rho)y -0.7947581E-14 GRAD(Rho)z 0.5652631E-14 Laplacian 0.8687174E+00 (-1/4)Del**2(Rho)) -0.2171793E+00 Diamond 0.2801906E+01 Metallicity 0.6551464E+01 Ellipticity 0.9518556E-02 Gb(Abramov) 0.3819267E+00 Vb(Abramov) -0.5466740E+00 Hb(Abramov) -0.1647473E+00 Ex_ueg -0.1004465E+00 Ec_ueg -0.1333708E-01 Delta_ex -0.1029401E+00 Delta_ec 0.1932084E-01 Delta_et -0.2657741E+00 Pxc 0.7531371E+01 Qxc -0.5327930E+01 3,-1 119 3 -1 0.860134 -3.002470 1.720414 Rho 0.2237096E+00 |GRAD(Rho)| 0.6375332E-15 GRAD(Rho)x -0.6207057E-15 GRAD(Rho)y -0.1122149E-15 GRAD(Rho)z -0.9263237E-16 Laplacian 0.8727579E+00 (-1/4)Del**2(Rho)) -0.2181895E+00 Diamond 0.2806389E+01 Metallicity 0.6509191E+01 Ellipticity 0.1001447E-01 Gb(Abramov) 0.3821658E+00 Vb(Abramov) -0.5461422E+00 Hb(Abramov) -0.1639763E+00 Ex_ueg -0.1002993E+00 Ec_ueg -0.1332028E-01 Delta_ex -0.1033611E+00 Delta_ec 0.1936650E-01 Delta_et -0.2661824E+00 Pxc 0.7529820E+01 Qxc -0.5337110E+01 3,-1 120 3 -1 0.802558 1.697863 1.592355 Rho 0.4244786E-01 |GRAD(Rho)| 0.2115518E-13 GRAD(Rho)x 0.2099544E-13 GRAD(Rho)y -0.1987858E-14 GRAD(Rho)z -0.1667753E-14 Laplacian 0.1596184E+00 (-1/4)Del**2(Rho)) -0.3990461E-01 Diamond 0.6282568E-01 Metallicity 0.2229923E+01 Ellipticity 0.1169973E-01 Gb(Abramov) 0.4143377E-01 Vb(Abramov) -0.4296294E-01 Hb(Abramov) -0.1529164E-02 Ex_ueg -0.1093603E-01 Ec_ueg -0.2001882E-02 Delta_ex -0.1250697E-01 Delta_ec 0.4575844E-02 Delta_et -0.4617821E-01 Pxc 0.5462872E+01 Qxc -0.2733259E+01 3,-1 121 3 +1 -0.759384 1.302153 -2.411131 Rho 0.2831918E-01 |GRAD(Rho)| 0.6975839E-16 GRAD(Rho)x -0.3741243E-17 GRAD(Rho)y 0.5231151E-16 GRAD(Rho)z -0.4599719E-16 Laplacian 0.1087471E+00 (-1/4)Del**2(Rho)) -0.2718679E-01 Diamond 0.1623512E-01 Metallicity 0.1667234E+01 Ellipticity -0.4029980E+01 Gb(Abramov) 0.2567898E-01 Vb(Abramov) -0.2417117E-01 Hb(Abramov) 0.1507808E-02 Ex_ueg -0.6375183E-02 Ec_ueg -0.1257239E-02 Delta_ex -0.6933435E-02 Delta_ec 0.1738281E-02 Delta_et -0.1582891E-01 Pxc 0.5070780E+01 Qxc -0.3988674E+01 3,+1 122 3 -1 0.834148 3.032809 -2.019954 Rho 0.1683137E+00 |GRAD(Rho)| 0.8972990E-09 GRAD(Rho)x -0.7857919E-09 GRAD(Rho)y 0.4205310E-09 GRAD(Rho)z -0.1040689E-09 Laplacian 0.6551705E+00 (-1/4)Del**2(Rho)) -0.1637926E+00 Diamond 0.1525325E+01 Metallicity 0.5396653E+01 Ellipticity 0.3904103E-01 Gb(Abramov) 0.2565171E+00 Vb(Abramov) -0.3492415E+00 Hb(Abramov) -0.9272446E-01 Ex_ueg -0.6863478E-01 Ec_ueg -0.9625982E-02 Delta_ex -0.7240086E-01 Delta_ec 0.1615563E-01 Delta_et -0.2183056E+00 Pxc 0.7130159E+01 Qxc -0.4481463E+01 3,-1 123 3 -1 -2.260486 3.284661 -2.248812 Rho 0.2201936E+00 |GRAD(Rho)| 0.2347333E-14 GRAD(Rho)x -0.2336618E-14 GRAD(Rho)y 0.1367721E-15 GRAD(Rho)z -0.1774297E-15 Laplacian 0.8199912E+00 (-1/4)Del**2(Rho)) -0.2049978E+00 Diamond 0.2619563E+01 Metallicity 0.6747535E+01 Ellipticity 0.1858227E-01 Gb(Abramov) 0.3672035E+00 Vb(Abramov) -0.5294092E+00 Hb(Abramov) -0.1622057E+00 Ex_ueg -0.9820298E-01 Ec_ueg -0.1308071E-01 Delta_ex -0.9690832E-01 Delta_ec 0.1862668E-01 Delta_et -0.2572169E+00 Pxc 0.7507466E+01 Qxc -0.5202662E+01 3,-1 124 3 -1 -2.334934 3.158648 2.167076 Rho 0.2211008E+00 |GRAD(Rho)| 0.2318055E-12 GRAD(Rho)x 0.1345443E-12 GRAD(Rho)y -0.1695553E-12 GRAD(Rho)z -0.8296152E-13 Laplacian 0.8345761E+00 (-1/4)Del**2(Rho)) -0.2086440E+00 Diamond 0.2668724E+01 Metallicity 0.6675204E+01 Ellipticity 0.1204975E-01 Gb(Abramov) 0.3712196E+00 Vb(Abramov) -0.5337951E+00 Hb(Abramov) -0.1625756E+00 Ex_ueg -0.9874283E-01 Ec_ueg -0.1314246E-01 Delta_ex -0.9867364E-01 Delta_ec 0.1882287E-01 Delta_et -0.2595395E+00 Pxc 0.7513268E+01 Qxc -0.5242220E+01 3,-1 125 3 -1 -0.899083 1.657644 1.566263 Rho 0.5368430E-01 |GRAD(Rho)| 0.2283005E-15 GRAD(Rho)x -0.1667003E-15 GRAD(Rho)y 0.1542743E-15 GRAD(Rho)z 0.2305539E-16 Laplacian 0.2014886E+00 (-1/4)Del**2(Rho)) -0.5037214E-01 Diamond 0.1097105E+00 Metallicity 0.2612813E+01 Ellipticity 0.1888507E-01 Gb(Abramov) 0.5551692E-01 Vb(Abramov) -0.6066171E-01 Hb(Abramov) -0.5144783E-02 Ex_ueg -0.1495713E-01 Ec_ueg -0.2619518E-02 Delta_ex -0.1677582E-01 Delta_ec 0.5804727E-02 Delta_et -0.6228192E-01 Pxc 0.5709877E+01 Qxc -0.2890027E+01 3,-1 126 3 -1 -1.501230 2.056387 -2.789197 Rho 0.1344798E+00 |GRAD(Rho)| 0.1020228E-13 GRAD(Rho)x -0.3346715E-14 GRAD(Rho)y 0.2833190E-14 GRAD(Rho)z 0.9211897E-14 Laplacian 0.5183303E+00 (-1/4)Del**2(Rho)) -0.1295826E+00 Diamond 0.9317884E+00 Metallicity 0.4692833E+01 Ellipticity 0.3797956E-01 Gb(Abramov) 0.1877400E+00 Vb(Abramov) -0.2458973E+00 Hb(Abramov) -0.5815737E-01 Ex_ueg -0.5088556E-01 Ec_ueg -0.7457529E-02 Delta_ex -0.5432135E-01 Delta_ec 0.1372432E-01 Delta_et -0.1801895E+00 Pxc 0.6823381E+01 Qxc -0.3958036E+01 3,-1 127 3 -1 -1.507190 2.018832 2.743139 Rho 0.1331077E+00 |GRAD(Rho)| 0.4244110E-15 GRAD(Rho)x -0.1574838E-15 GRAD(Rho)y 0.2669102E-15 GRAD(Rho)z -0.2899699E-15 Laplacian 0.5168909E+00 (-1/4)Del**2(Rho)) -0.1292227E+00 Diamond 0.9142226E+00 Metallicity 0.4626149E+01 Ellipticity 0.4329503E-01 Gb(Abramov) 0.1857824E+00 Vb(Abramov) -0.2423421E+00 Hb(Abramov) -0.5655968E-01 Ex_ueg -0.5019448E-01 Ec_ueg -0.7371099E-02 Delta_ex -0.5399462E-01 Delta_ec 0.1364472E-01 Delta_et -0.1787056E+00 Pxc 0.6809633E+01 Qxc -0.3957181E+01 3,-1 128 3 -1 1.998556 -3.013202 -0.775357 Rho 0.1361188E+00 |GRAD(Rho)| 0.9464943E-16 GRAD(Rho)x 0.1316628E-16 GRAD(Rho)y 0.1481969E-16 GRAD(Rho)z 0.9255021E-16 Laplacian 0.5238921E+00 (-1/4)Del**2(Rho)) -0.1309730E+00 Diamond 0.9572547E+00 Metallicity 0.4737705E+01 Ellipticity 0.4454507E-01 Gb(Abramov) 0.1907340E+00 Vb(Abramov) -0.2504949E+00 Hb(Abramov) -0.5976092E-01 Ex_ueg -0.5171412E-01 Ec_ueg -0.7560928E-02 Delta_ex -0.5508398E-01 Delta_ec 0.1386501E-01 Delta_et -0.1824551E+00 Pxc 0.6839652E+01 Qxc -0.3972877E+01 3,-1 129 3 -1 2.007111 -3.003640 0.803285 Rho 0.1351176E+00 |GRAD(Rho)| 0.7506863E-15 GRAD(Rho)x 0.1473770E-15 GRAD(Rho)y -0.8027162E-16 GRAD(Rho)z -0.7316874E-15 Laplacian 0.5191987E+00 (-1/4)Del**2(Rho)) -0.1297997E+00 Diamond 0.9405150E+00 Metallicity 0.4722072E+01 Ellipticity 0.4237453E-01 Gb(Abramov) 0.1886870E+00 Vb(Abramov) -0.2475743E+00 Hb(Abramov) -0.5888733E-01 Ex_ueg -0.5120756E-01 Ec_ueg -0.7497742E-02 Delta_ex -0.5449568E-01 Delta_ec 0.1376948E-01 Delta_et -0.1809928E+00 Pxc 0.6829731E+01 Qxc -0.3957716E+01 3,-1 130 3 -1 -0.115739 0.342024 0.555835 Rho 0.1331919E+00 |GRAD(Rho)| 0.4505915E-15 GRAD(Rho)x 0.5577075E-16 GRAD(Rho)y 0.4039230E-15 GRAD(Rho)z 0.1917511E-15 Laplacian 0.6745716E+00 (-1/4)Del**2(Rho)) -0.1686429E+00 Diamond 0.1414545E+01 Metallicity 0.3548527E+01 Ellipticity 0.4041616E-02 Gb(Abramov) 0.2121676E+00 Vb(Abramov) -0.2556923E+00 Hb(Abramov) -0.4352468E-01 Ex_ueg -0.5023682E-01 Ec_ueg -0.7376399E-02 Delta_ex -0.7305069E-01 Delta_ec 0.2239994E-01 Delta_et -0.3021970E+00 Pxc 0.6810480E+01 Qxc -0.3261199E+01 3,-1 131 3 -1 -0.091194 0.489165 2.429867 Rho 0.4915787E-01 |GRAD(Rho)| 0.2534255E-15 GRAD(Rho)x 0.3204551E-17 GRAD(Rho)y 0.7606250E-16 GRAD(Rho)z -0.2417203E-15 Laplacian 0.1811273E+00 (-1/4)Del**2(Rho)) -0.4528181E-01 Diamond 0.8775592E-01 Metallicity 0.2509676E+01 Ellipticity 0.1140160E-01 Gb(Abramov) 0.4912833E-01 Vb(Abramov) -0.5297484E-01 Hb(Abramov) -0.3846513E-02 Ex_ueg -0.1329972E-01 Ec_ueg -0.2368377E-02 Delta_ex -0.1475875E-01 Delta_ec 0.5242769E-02 Delta_et -0.5499716E-01 Pxc 0.5615541E+01 Qxc -0.2815067E+01 3,-1 132 3 -1 -0.120534 0.472977 -2.423927 Rho 0.5583711E-01 |GRAD(Rho)| 0.3305952E-13 GRAD(Rho)x -0.9404173E-15 GRAD(Rho)y -0.7965515E-14 GRAD(Rho)z -0.3207177E-13 Laplacian 0.2095778E+00 (-1/4)Del**2(Rho)) -0.5239445E-01 Diamond 0.1214880E+00 Metallicity 0.2682087E+01 Ellipticity 0.1226241E-01 Gb(Abramov) 0.5835071E-01 Vb(Abramov) -0.6430697E-01 Hb(Abramov) -0.5956261E-02 Ex_ueg -0.1576216E-01 Ec_ueg -0.2739981E-02 Delta_ex -0.1766630E-01 Delta_ec 0.6109230E-02 Delta_et -0.6623763E-01 Pxc 0.5752653E+01 Qxc -0.2891739E+01 3,-1 133 3 +1 0.581949 1.131287 2.471608 Rho 0.2544507E-01 |GRAD(Rho)| 0.3174407E-15 GRAD(Rho)x 0.2634628E-15 GRAD(Rho)y -0.9786065E-16 GRAD(Rho)z -0.1475779E-15 Laplacian 0.9660561E-01 (-1/4)Del**2(Rho)) -0.2415140E-01 Diamond 0.1249938E-01 Metallicity 0.1570183E+01 Ellipticity -0.3507467E+01 Gb(Abramov) 0.2242129E-01 Vb(Abramov) -0.2069117E-01 Hb(Abramov) 0.1730116E-02 Ex_ueg -0.5527429E-02 Ec_ueg -0.1111149E-02 Delta_ex -0.5989406E-02 Delta_ec 0.1554800E-02 Delta_et -0.1380233E-01 Pxc 0.4974518E+01 Qxc -0.3852203E+01 3,+1 134 3 -1 1.653961 2.782922 -0.891761 Rho 0.1366127E+00 |GRAD(Rho)| 0.1535591E-15 GRAD(Rho)x 0.8141003E-16 GRAD(Rho)y -0.9262475E-16 GRAD(Rho)z -0.9150666E-16 Laplacian 0.5692354E+00 (-1/4)Del**2(Rho)) -0.1423088E+00 Diamond 0.1033484E+01 Metallicity 0.4386719E+01 Ellipticity 0.1414012E-01 Gb(Abramov) 0.1989174E+00 Vb(Abramov) -0.2555259E+00 Hb(Abramov) -0.5660855E-01 Ex_ueg -0.5196448E-01 Ec_ueg -0.7592124E-02 Delta_ex -0.5977807E-01 Delta_ec 0.1482717E-01 Delta_et -0.1947855E+00 Pxc 0.6844525E+01 Qxc -0.4031657E+01 3,-1 135 3 -1 1.647529 2.770647 0.874433 Rho 0.1372735E+00 |GRAD(Rho)| 0.1562821E-15 GRAD(Rho)x -0.1344157E-16 GRAD(Rho)y -0.2997141E-16 GRAD(Rho)z 0.1527912E-15 Laplacian 0.5753592E+00 (-1/4)Del**2(Rho)) -0.1438398E+00 Diamond 0.1050805E+01 Metallicity 0.4375074E+01 Ellipticity 0.1178506E-01 Gb(Abramov) 0.2007782E+00 Vb(Abramov) -0.2577165E+00 Hb(Abramov) -0.5693835E-01 Ex_ueg -0.5229989E-01 Ec_ueg -0.7633882E-02 Delta_ex -0.6049340E-01 Delta_ec 0.1497180E-01 Delta_et -0.1968379E+00 Pxc 0.6851021E+01 Qxc -0.4040488E+01 3,-1 136 3 +3 2.626174 -1.819517 -0.001797 Rho 0.1132400E-01 |GRAD(Rho)| 0.1284897E-16 GRAD(Rho)x 0.1140854E-16 GRAD(Rho)y 0.5300343E-17 GRAD(Rho)z 0.2616810E-17 Laplacian 0.5069275E-01 (-1/4)Del**2(Rho)) -0.1267319E-01 Diamond 0.9951700E-03 Metallicity 0.7762482E+00 Ellipticity -0.5878046E+00 Gb(Abramov) 0.1008838E-01 Vb(Abramov) -0.7503575E-02 Hb(Abramov) 0.2584806E-02 Ex_ueg -0.1878098E-02 Ec_ueg -0.4284532E-03 Delta_ex -0.2179018E-02 Delta_ec 0.1669681E-03 Delta_et -0.1622910E-02 Pxc 0.4383439E+01 Qxc -0.1305050E+02 3,+3 137 3 -1 0.594309 -0.564794 3.209253 Rho 0.1380364E+00 |GRAD(Rho)| 0.2268606E-15 GRAD(Rho)x 0.2021088E-15 GRAD(Rho)y 0.1003158E-15 GRAD(Rho)z 0.2354752E-16 Laplacian 0.5716480E+00 (-1/4)Del**2(Rho)) -0.1429120E+00 Diamond 0.1058682E+01 Metallicity 0.4444341E+01 Ellipticity 0.4949686E-02 Gb(Abramov) 0.2011329E+00 Vb(Abramov) -0.2593539E+00 Hb(Abramov) -0.5822095E-01 Ex_ueg -0.5268780E-01 Ec_ueg -0.7682129E-02 Delta_ex -0.6026961E-01 Delta_ec 0.1500789E-01 Delta_et -0.1977913E+00 Pxc 0.6858489E+01 Qxc -0.4015861E+01 3,-1 138 3 -1 2.333756 3.218885 -2.212698 Rho 0.2226524E+00 |GRAD(Rho)| 0.6844943E-11 GRAD(Rho)x 0.4450814E-11 GRAD(Rho)y 0.4706496E-11 GRAD(Rho)z -0.2211875E-11 Laplacian 0.8133871E+00 (-1/4)Del**2(Rho)) -0.2033468E+00 Diamond 0.2639578E+01 Metallicity 0.6929389E+01 Ellipticity 0.4132524E-03 Gb(Abramov) 0.3704094E+00 Vb(Abramov) -0.5374719E+00 Hb(Abramov) -0.1670626E+00 Ex_ueg -0.9966783E-01 Ec_ueg -0.1324818E-01 Delta_ex -0.9644062E-01 Delta_ec 0.1848302E-01 Delta_et -0.2556513E+00 Pxc 0.7523136E+01 Qxc -0.5217795E+01 3,-1 139 3 -1 2.290133 3.215977 2.198502 Rho 0.2223517E+00 |GRAD(Rho)| 0.5875611E-14 GRAD(Rho)x -0.5852523E-14 GRAD(Rho)y 0.1335195E-15 GRAD(Rho)z -0.5029343E-15 Laplacian 0.8217122E+00 (-1/4)Del**2(Rho)) -0.2054280E+00 Diamond 0.2656793E+01 Metallicity 0.6843751E+01 Ellipticity 0.9895924E-03 Gb(Abramov) 0.3712684E+00 Vb(Abramov) -0.5371088E+00 Hb(Abramov) -0.1658404E+00 Ex_ueg -0.9948838E-01 Ec_ueg -0.1322768E-01 Delta_ex -0.9736141E-01 Delta_ec 0.1862184E-01 Delta_et -0.2573229E+00 Pxc 0.7521229E+01 Qxc -0.5228344E+01 3,-1 140 3 -1 -0.737887 0.910582 3.560080 Rho 0.1379502E+00 |GRAD(Rho)| 0.1545532E-12 GRAD(Rho)x -0.2520183E-13 GRAD(Rho)y -0.1510083E-12 GRAD(Rho)z -0.2116749E-13 Laplacian 0.5305484E+00 (-1/4)Del**2(Rho)) -0.1326371E+00 Diamond 0.9826785E+00 Metallicity 0.4783644E+01 Ellipticity 0.3985583E-01 Gb(Abramov) 0.1941729E+00 Vb(Abramov) -0.2557086E+00 Hb(Abramov) -0.6153574E-01 Ex_ueg -0.5264393E-01 Ec_ueg -0.7676675E-02 Delta_ex -0.5593742E-01 Delta_ec 0.1394786E-01 Delta_et -0.1838370E+00 Pxc 0.6857647E+01 Qxc -0.4010466E+01 3,-1 141 3 -1 0.366298 -0.504938 -0.010868 Rho 0.1376931E+00 |GRAD(Rho)| 0.4617535E-15 GRAD(Rho)x -0.2913307E-15 GRAD(Rho)y 0.3576187E-15 GRAD(Rho)z -0.2125131E-16 Laplacian 0.7178387E+00 (-1/4)Del**2(Rho)) -0.1794597E+00 Diamond 0.1578729E+01 Metallicity 0.3524573E+01 Ellipticity 0.1853206E-01 Gb(Abramov) 0.2250596E+00 Vb(Abramov) -0.2706595E+00 Hb(Abramov) -0.4559990E-01 Ex_ueg -0.5251313E-01 Ec_ueg -0.7660411E-02 Delta_ex -0.7846504E-01 Delta_ec 0.2390643E-01 Delta_et -0.3250685E+00 Pxc 0.6855132E+01 Qxc -0.3282174E+01 3,-1 142 3 -1 0.589477 -0.580877 -3.182689 Rho 0.1365491E+00 |GRAD(Rho)| 0.1002255E-15 GRAD(Rho)x 0.3058805E-16 GRAD(Rho)y -0.9326849E-16 GRAD(Rho)z -0.2026103E-16 Laplacian 0.5666865E+00 (-1/4)Del**2(Rho)) -0.1416716E+00 Diamond 0.1036692E+01 Metallicity 0.4403030E+01 Ellipticity 0.4429103E-02 Gb(Abramov) 0.1984118E+00 Vb(Abramov) -0.2551520E+00 Hb(Abramov) -0.5674020E-01 Ex_ueg -0.5193221E-01 Ec_ueg -0.7588104E-02 Delta_ex -0.5959864E-01 Delta_ec 0.1493199E-01 Delta_et -0.1964875E+00 Pxc 0.6843898E+01 Qxc -0.3991340E+01 3,-1 143 3 -1 0.019300 -0.015880 4.534737 Rho 0.2201498E+00 |GRAD(Rho)| 0.1875732E-14 GRAD(Rho)x -0.3503735E-15 GRAD(Rho)y 0.2600323E-15 GRAD(Rho)z -0.1824279E-14 Laplacian 0.8194860E+00 (-1/4)Del**2(Rho)) -0.2048715E+00 Diamond 0.2617421E+01 Metallicity 0.6749457E+01 Ellipticity 0.1903644E-01 Gb(Abramov) 0.3670429E+00 Vb(Abramov) -0.5292143E+00 Hb(Abramov) -0.1621714E+00 Ex_ueg -0.9817693E-01 Ec_ueg -0.1307773E-01 Delta_ex -0.9684421E-01 Delta_ec 0.1861730E-01 Delta_et -0.2570886E+00 Pxc 0.7507185E+01 Qxc -0.5201839E+01 3,-1 144 3 -1 -0.142228 0.329378 -0.568928 Rho 0.1338514E+00 |GRAD(Rho)| 0.7333299E-14 GRAD(Rho)x -0.9681536E-16 GRAD(Rho)y -0.4025136E-14 GRAD(Rho)z 0.6129126E-14 Laplacian 0.6776795E+00 (-1/4)Del**2(Rho)) -0.1694199E+00 Diamond 0.1427088E+01 Metallicity 0.3561453E+01 Ellipticity 0.8254071E-02 Gb(Abramov) 0.2135101E+00 Vb(Abramov) -0.2576003E+00 Hb(Abramov) -0.4409020E-01 Ex_ueg -0.5056878E-01 Ec_ueg -0.7417932E-02 Delta_ex -0.7344184E-01 Delta_ec 0.2242862E-01 Delta_et -0.3028095E+00 Pxc 0.6817099E+01 Qxc -0.3274469E+01 3,-1 145 3 -1 -0.839539 -0.529480 3.428818 Rho 0.2220432E+00 |GRAD(Rho)| 0.2025627E-13 GRAD(Rho)x -0.7076588E-14 GRAD(Rho)y 0.1223555E-13 GRAD(Rho)z -0.1450965E-13 Laplacian 0.8709163E+00 (-1/4)Del**2(Rho)) -0.2177291E+00 Diamond 0.2769467E+01 Metallicity 0.6442176E+01 Ellipticity 0.8069585E-02 Gb(Abramov) 0.3789276E+00 Vb(Abramov) -0.5401260E+00 Hb(Abramov) -0.1611985E+00 Ex_ueg -0.9930438E-01 Ec_ueg -0.1320665E-01 Delta_ex -0.1029080E+00 Delta_ec 0.1930498E-01 Delta_et -0.2649905E+00 Pxc 0.7519270E+01 Qxc -0.5330647E+01 3,-1 146 3 -1 -0.718340 0.918967 -3.561018 Rho 0.1374702E+00 |GRAD(Rho)| 0.2493259E-15 GRAD(Rho)x 0.1559218E-15 GRAD(Rho)y -0.1942755E-15 GRAD(Rho)z -0.1043285E-16 Laplacian 0.5317809E+00 (-1/4)Del**2(Rho)) -0.1329452E+00 Diamond 0.9813684E+00 Metallicity 0.4744908E+01 Ellipticity 0.4472934E-01 Gb(Abramov) 0.1937656E+00 Vb(Abramov) -0.2545861E+00 Hb(Abramov) -0.6082041E-01 Ex_ueg -0.5239980E-01 Ec_ueg -0.7646314E-02 Delta_ex -0.5602590E-01 Delta_ec 0.1400246E-01 Delta_et -0.1844768E+00 Pxc 0.6852949E+01 Qxc -0.4001146E+01 3,-1 147 3 -1 -2.068796 -0.355633 0.484261 Rho 0.3139662E+00 |GRAD(Rho)| 0.6779898E-15 GRAD(Rho)x 0.6749023E-15 GRAD(Rho)y -0.1626727E-17 GRAD(Rho)z 0.6460998E-16 Laplacian -0.1574301E+01 (-1/4)Del**2(Rho)) 0.3935753E+00 Diamond 0.5379363E+01 Metallicity -0.6348387E+01 Ellipticity 0.6204810E-02 Gb(Abramov) 0.1540445E+00 Vb(Abramov) -0.7016644E+00 Hb(Abramov) -0.5476198E+00 Ex_ueg -0.1576022E+00 Ec_ueg -0.1970230E-01 Delta_ex 0.1555986E+00 Delta_ec 0.5493910E-01 Delta_et -0.1293918E+01 Pxc 0.7999176E+01 Qxc 0.2832202E+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 64 68 119 108 129 70 69 72 54 105 126 91 123 120 110 135 100 106 139 67 66 118 102 128 138 101 109 134 99 122 124 125 53 95 127 113 131 145 137 140 76 143 92 111 112 93 94 104 132 142 116 115 86 146 141 65 48 117 147 144 130 47 114 107 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 15 16 19 19 25 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 17 23 36 45 36 36 23 45 27 2.339463 1.934469 1.769059 2.155046 1.967856 1.777315 1.778562 2.397873 1.772619 1.935858 1.968893 2.124970 1.776152 2.450694 1.913817 1.949670 1.885001 1.928366 1.772242 2.299916 1.930211 1.768762 2.183997 1.964750 1.771983 2.541090 1.951695 1.951778 1.877556 1.880671 1.774001 2.356047 1.798754 1.952635 1.972643 2.049552 2.392566 1.772062 1.945262 1.959075 2.124232 1.776271 2.729296 1.956853 2.008929 1.855413 1.865536 1.765149 2.336142 1.949343 1.770739 1.777964 2.139235 1.959681 1.656374 3.193135 3.223316 1.658502 1.002202 1.670284 1.672047 3.100142 1.750756 3.235011 2.340214 1.934865 1.769091 2.155466 1.968326 1.777329 1.778577 2.398670 1.772667 1.936260 1.969375 2.125422 1.776169 2.451255 1.914296 1.950076 1.885381 1.928815 1.772244 2.300570 1.930608 1.768781 2.184400 1.965218 1.771986 2.541540 1.952200 1.952234 1.877926 1.881050 1.774014 2.356733 1.798905 1.952961 1.973063 2.049982 2.393342 1.772110 1.945588 1.959533 2.124663 1.776287 2.730311 1.957534 2.009577 1.855902 1.866098 1.765186 2.336840 1.949667 1.770775 1.777979 2.139683 1.960134 1.656410 3.207411 3.236812 1.658671 1.002299 1.670297 1.672055 3.105705 1.754805 3.236395 31 26 24 25 23 23 22 27 22 25 24 29 22 27 23 23 27 27 21 27 24 22 25 23 21 29 25 26 23 24 23 27 22 23 23 24 27 22 23 23 27 23 31 23 23 22 23 22 27 23 22 22 27 23 21 35 35 21 17 21 21 35 23 35 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 W O W W W W W O O W Mo W O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H 2.3302 -0.9016 2.3123 2.3946 2.3314 2.3677 2.3131 -0.9010 -0.8953 2.3147 2.1513 2.3237 -1.1500 -0.8496 -1.1462 -1.1535 -0.8475 -0.9916 -0.8909 -0.9507 -0.8508 -0.9494 -0.8507 -0.9920 -0.9879 -0.8506 -0.9775 -0.8540 -0.9313 -0.9021 -0.9976 -1.0127 -0.9404 -1.0190 -1.0029 2.1487 -0.9005 -1.0124 -1.0200 -0.9996 -0.8995 -0.8367 -0.9005 -0.8987 0.2765 2.1393 1.9462 2.1423 2.1061 2.1378 2.1128 2.1395 1.9468 1.9474 2.1389 2.0009 2.1391 1.8979 1.8587 1.8983 1.8979 1.9514 1.9277 1.9489 1.9296 1.9516 1.9292 1.9509 1.9274 1.9265 1.9516 1.9271 1.9515 1.9428 1.9463 1.9356 1.9334 1.9413 1.9335 1.9352 2.3436 1.9468 1.9334 1.9353 1.9350 1.9465 1.9578 1.9470 1.9465 0.5698 6.1124 4.9262 6.1219 6.0971 6.1114 6.1055 6.1269 4.9240 4.9182 6.1208 6.1368 6.1173 5.2254 4.9586 5.2209 5.2271 4.8654 5.0350 4.9114 4.9950 4.8686 4.9939 4.8691 5.0356 5.0327 4.8684 5.0220 4.8719 4.9621 4.9265 5.0337 5.0486 4.9730 5.0547 5.0396 6.9326 4.9242 5.0513 5.0540 5.0363 4.9236 4.8511 4.9240 4.9221 0.1537 3.3887 0.0292 3.3941 3.3719 3.3900 3.3839 3.3908 0.0301 0.0297 3.3961 3.7111 3.3904 0.0267 0.0323 0.0269 0.0284 0.0307 0.0290 0.0306 0.0260 0.0306 0.0263 0.0306 0.0289 0.0287 0.0306 0.0285 0.0306 0.0264 0.0292 0.0282 0.0308 0.0261 0.0308 0.0280 0.5751 0.0295 0.0277 0.0307 0.0283 0.0294 0.0277 0.0295 0.0301 0.0000 14.0294 0.0000 14.0293 14.0303 14.0295 14.0301 14.0297 0.0000 0.0000 14.0294 0.0000 14.0295 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 W O W W W W W O O W Mo W O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H 2.480693 -0.964155 2.474151 2.494231 2.481637 2.486834 2.478985 -0.963983 -0.959280 2.474147 3.151810 2.479440 -1.066617 -0.644786 -1.054607 -1.053725 -0.916473 -1.001731 -0.875662 -1.125795 -0.920745 -1.110466 -0.919076 -1.002200 -1.005541 -0.918274 -1.008748 -0.919635 -1.146471 -0.966340 -1.022968 -1.018078 -1.148037 -1.017192 -1.025751 1.791158 -0.964760 -1.029294 -1.013084 -1.024131 -0.961891 -1.126770 -0.964244 -0.962264 0.029688 1.947834 -0.894852 1.933884 1.917194 1.949265 1.914752 1.918270 -0.896442 -0.889735 1.933852 2.328837 1.941712 -0.725417 -0.775244 -0.698200 -0.694584 -0.828784 -0.716448 -0.797920 -0.847309 -0.831274 -0.857637 -0.833045 -0.717284 -0.733479 -0.829066 -0.745095 -0.830128 -0.957413 -0.901007 -0.875206 -0.843888 -0.956803 -0.837032 -0.876123 1.422610 -0.895760 -0.875768 -0.834437 -0.875045 -0.892080 -0.942226 -0.896609 -0.895765 0.288896 2.039823 -0.868603 2.029085 2.038176 2.039680 2.029785 2.017042 -0.863632 -0.861483 2.017647 2.423840 2.029067 -0.808096 -0.765141 -0.788957 -0.778661 -0.836099 -0.807490 -0.857193 -0.942719 -0.829524 -0.943617 -0.840190 -0.808558 -0.824702 -0.825767 -0.845193 -0.828276 -0.972626 -0.877542 -0.894809 -0.892885 -0.975535 -0.896918 -0.899115 1.379840 -0.870264 -0.906459 -0.906588 -0.895151 -0.865005 -0.911665 -0.870168 -0.860615 0.375262 -23.01556066 -16.84969869 1.00464602 28.54185859 54.88978079 63.94241067 -2.54288291 -3.08944260 3.93841963 -51.80033819 -309.4744 352.4727 18.9127 -365.7383 -101.2315 -405.0588 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 0 Apr18-2024 10:58:27 Nodes: 1 Procs: 1 Apr18-2024 10:58:28 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr18-2024 10:58:29 Nodes: 1 Procs: 1 Apr18-2024 10:58:29 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr18-2024 10:58:30 Nodes: 1 Procs: 1 Apr18-2024 10:58:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr18-2024 10:58:30 Nodes: 1 Procs: 1 Apr18-2024 10:58:31 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr18-2024 10:58:33 Nodes: 1 Procs: 28 *** (NO TITLE) *** -9 -14.73651487 -14.82308354 -14.83809912 -14.84329812 -14.84042063 -14.84666372 -14.84638241 -14.84875670 -14.84906487 -14.84974688 -14.85007302 -14.85013698 -14.85039543 -14.85053259 -14.85114562 -14.85272355 -14.85744158 -14.86196405 -14.86491726 -14.86424853 -14.86808697 -14.86855160 -14.86992392 -14.87174404 -14.87330829 -14.87456193 -14.87617067 -14.87892904 -14.88022241 -14.88259150 -14.88358235 -14.88424315 -14.88504314 -14.88530498 -14.88539933 -14.88547320 -14.88547310 -14.88548109 -14.88559009 -14.88561467 -14.88563053 -14.88563884 GEOMETRY CONVERGED