ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:40:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 2.56 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 Jun06-2024 09:35:59 Nodes: 1 Procs: 1 Jun06-2024 09:36:02 Nodes: 1 Procs: 1 0 Jun06-2024 09:36:06 Nodes: 1 Procs: 1 Jun06-2024 09:36:08 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun06-2024 09:36:12 Nodes: 1 Procs: 1 Jun06-2024 09:36:14 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun06-2024 09:36:18 Nodes: 1 Procs: 1 Jun06-2024 09:36:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun06-2024 09:36:22 Nodes: 1 Procs: 1 Jun06-2024 09:36:25 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun06-2024 09:36:30 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 Jun11-2024 04:40:50 Nodes: 1 Procs: 1 Jun11-2024 04:40:52 Nodes: 1 Procs: 1 Hydrogen (TZP) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:40:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.06 1.93 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun06-2024 09:35:59 Nodes: 1 Procs: 1 Jun06-2024 09:36:02 Nodes: 1 Procs: 1 0 Jun06-2024 09:36:06 Nodes: 1 Procs: 1 Jun06-2024 09:36:08 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun06-2024 09:36:12 Nodes: 1 Procs: 1 Jun06-2024 09:36:14 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun06-2024 09:36:18 Nodes: 1 Procs: 1 Jun06-2024 09:36:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun06-2024 09:36:22 Nodes: 1 Procs: 1 Jun06-2024 09:36:25 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun06-2024 09:36:30 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 Jun11-2024 04:40:50 Nodes: 1 Procs: 1 Jun11-2024 04:40:52 Nodes: 1 Procs: 1 Hydrogen (TZP) 0 Jun11-2024 04:40:55 Nodes: 1 Procs: 1 Jun11-2024 04:40:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:41:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.46 0.04 2.11 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 Jun06-2024 09:35:59 Nodes: 1 Procs: 1 Jun06-2024 09:36:02 Nodes: 1 Procs: 1 0 Jun06-2024 09:36:06 Nodes: 1 Procs: 1 Jun06-2024 09:36:08 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun06-2024 09:36:12 Nodes: 1 Procs: 1 Jun06-2024 09:36:14 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun06-2024 09:36:18 Nodes: 1 Procs: 1 Jun06-2024 09:36:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun06-2024 09:36:22 Nodes: 1 Procs: 1 Jun06-2024 09:36:25 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun06-2024 09:36:30 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 Jun11-2024 04:40:50 Nodes: 1 Procs: 1 Jun11-2024 04:40:52 Nodes: 1 Procs: 1 Hydrogen (TZP) 0 Jun11-2024 04:40:55 Nodes: 1 Procs: 1 Jun11-2024 04:40:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:41:00 Nodes: 1 Procs: 1 Jun11-2024 04:41:02 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:41:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.91 0.05 1.53 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 Jun06-2024 09:35:59 Nodes: 1 Procs: 1 Jun06-2024 09:36:02 Nodes: 1 Procs: 1 0 Jun06-2024 09:36:06 Nodes: 1 Procs: 1 Jun06-2024 09:36:08 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun06-2024 09:36:12 Nodes: 1 Procs: 1 Jun06-2024 09:36:14 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun06-2024 09:36:18 Nodes: 1 Procs: 1 Jun06-2024 09:36:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun06-2024 09:36:22 Nodes: 1 Procs: 1 Jun06-2024 09:36:25 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun06-2024 09:36:30 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 Jun11-2024 04:40:50 Nodes: 1 Procs: 1 Jun11-2024 04:40:52 Nodes: 1 Procs: 1 Hydrogen (TZP) 0 Jun11-2024 04:40:55 Nodes: 1 Procs: 1 Jun11-2024 04:40:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:41:00 Nodes: 1 Procs: 1 Jun11-2024 04:41:02 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 04:41:05 Nodes: 1 Procs: 1 Jun11-2024 04:41:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:41:09 Hydrogen (TZP) c1-46 c1-46 c1-46 c1-46 c1-46 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.45 0.06 2.87 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 Jun06-2024 09:35:59 Nodes: 1 Procs: 1 Jun06-2024 09:36:02 Nodes: 1 Procs: 1 0 Jun06-2024 09:36:06 Nodes: 1 Procs: 1 Jun06-2024 09:36:08 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun06-2024 09:36:12 Nodes: 1 Procs: 1 Jun06-2024 09:36:14 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun06-2024 09:36:18 Nodes: 1 Procs: 1 Jun06-2024 09:36:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun06-2024 09:36:22 Nodes: 1 Procs: 1 Jun06-2024 09:36:25 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun06-2024 09:36:30 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 Jun11-2024 04:40:50 Nodes: 1 Procs: 1 Jun11-2024 04:40:52 Nodes: 1 Procs: 1 Hydrogen (TZP) 0 Jun11-2024 04:40:55 Nodes: 1 Procs: 1 Jun11-2024 04:40:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:41:00 Nodes: 1 Procs: 1 Jun11-2024 04:41:02 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 04:41:05 Nodes: 1 Procs: 1 Jun11-2024 04:41:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun11-2024 04:41:09 Nodes: 1 Procs: 1 Jun11-2024 04:41:11 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:41:17 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2393.577600000001 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Mo ADF 2019.304 Jun11-2024 04:41:02 1 1 Molybdenum TZP 3d t21.W ADF 2019.304 Jun11-2024 04:41:11 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun11-2024 04:41:06 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun11-2024 04:40:57 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun11-2024 04:40:52 1 1 Hydrogen TZP 1 1 -15.89124987 0.23011294 0.00100000 F 0.10329640 0.00066667 F 0.23011294 0.10329640 0.12518332 0.01000000 F 0.04557880 0.00666667 F Cartesian 2393.577600000001 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2 2 -16.32748877 0.16953996 0.00100000 F 0.07138125 0.00066667 F 0.16953996 0.07138125 0.15535335 0.01000000 F 0.05644999 0.00666667 F Cartesian 2393.577600000001 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3.765720 0.189973 -3.843055 3.757030 -0.213733 -3.731323 -3.771575 0.197826 -3.759560 0.190856 -3.750785 -3.785549 -0.217411 3.746601 3.744584 0.241030 3.739590 3.768562 -0.241650 -3.739333 0.003590 -0.003820 -0.022297 -3.865652 4.375499 -0.975361 1 3 -3 0.076945 -2.546698 2.581503 Rho 0.1240647E+06 3,-3 2 3 -3 0.171241 2.516923 -2.644630 Rho 0.1240647E+06 3,-3 3 3 -3 -2.545990 -0.164319 -2.600271 Rho 0.1240647E+06 3,-3 4 3 -3 -2.595430 0.102168 2.563692 Rho 0.1240647E+06 3,-3 5 3 -3 2.544665 -0.091206 2.566858 Rho 0.1240647E+06 3,-3 6 3 -3 2.600007 0.059001 -2.527032 Rho 0.1240647E+06 3,-3 7 3 -3 -0.072300 -2.561474 -2.542017 Rho 0.4361414E+07 3,-3 8 3 -3 -0.140463 2.553330 2.556193 Rho 0.4361414E+07 3,-3 9 3 -3 2.560489 -2.578492 0.165830 Rho 0.4361414E+07 3,-3 10 3 -3 2.515655 2.550843 -0.110353 Rho 0.4361414E+07 3,-3 11 3 -3 -2.515760 2.489049 0.063189 Rho 0.4361413E+07 3,-3 12 3 -3 -2.538068 -2.570718 -0.113960 Rho 0.4361414E+07 3,-3 13 3 -3 0.965289 -0.967936 0.978113 Rho 0.3190400E+03 3,-3 14 3 -3 -0.969572 -0.998316 -0.988937 Rho 0.3190176E+03 3,-3 15 3 -3 0.981140 0.974573 -0.998051 Rho 0.3190285E+03 3,-3 16 3 -3 -1.003240 0.995692 0.925798 Rho 0.3190117E+03 3,-3 17 3 -3 -2.983799 -1.183110 1.164989 Rho 0.3189518E+03 3,-3 18 3 -3 3.024381 -1.168225 -1.164578 Rho 0.3189792E+03 3,-3 19 3 -3 -3.018069 1.115626 -1.091802 Rho 0.3189940E+03 3,-3 20 3 -3 2.991474 1.163869 1.118303 Rho 0.3189484E+03 3,-3 21 3 -3 1.133616 -1.128941 -3.010390 Rho 0.3189472E+03 3,-3 22 3 -3 1.147383 1.162393 2.991623 Rho 0.3189527E+03 3,-3 23 3 -3 -1.190079 1.157797 -2.968679 Rho 0.3190039E+03 3,-3 24 3 -3 -1.159985 -1.172471 3.021630 Rho 0.3190324E+03 3,-3 25 3 -3 -1.195657 2.979209 -1.101682 Rho 0.3190568E+03 3,-3 26 3 -3 -1.141155 -3.020831 1.145961 Rho 0.3189538E+03 3,-3 27 3 -3 1.118096 2.994397 1.148815 Rho 0.3188791E+03 3,-3 28 3 -3 1.180977 -2.985986 -1.161320 Rho 0.3188761E+03 3,-3 29 3 -3 3.426155 -1.499990 1.493256 Rho 0.3190580E+03 3,-3 30 3 -3 -3.409467 -1.531272 -1.508272 Rho 0.3190638E+03 3,-3 31 3 -3 3.379702 1.550186 -1.559385 Rho 0.3190667E+03 3,-3 32 3 -3 -3.403758 1.510648 1.515545 Rho 0.3190913E+03 3,-3 33 3 -3 1.540906 -1.522970 3.401598 Rho 0.3191291E+03 3,-3 34 3 -3 1.504790 1.521396 -3.477499 Rho 0.3191669E+03 3,-3 35 3 -3 -1.503604 1.474319 3.419893 Rho 0.3190524E+03 3,-3 36 3 -3 -1.518746 -1.534878 -3.437539 Rho 0.3190791E+03 3,-3 37 3 -3 -1.498386 -3.415888 -1.530748 Rho 0.3189956E+03 3,-3 38 3 -3 -1.557121 3.372963 1.528586 Rho 0.3190141E+03 3,-3 39 3 -3 1.529193 -3.421273 1.518715 Rho 0.3190598E+03 3,-3 40 3 -3 1.459137 3.417387 -1.526413 Rho 0.3190689E+03 3,-3 41 3 -3 -0.217976 -3.743450 3.767638 Rho 0.3195748E+03 3,-3 42 3 -3 0.250322 -3.748191 -3.746161 Rho 0.3194262E+03 3,-3 43 3 -3 -0.233088 3.728857 -3.782586 Rho 0.3195784E+03 3,-3 44 3 -3 0.169160 3.751596 3.751047 Rho 0.3194304E+03 3,-3 45 3 -3 3.760812 -3.767269 -0.162652 Rho 0.3194286E+03 3,-3 46 3 -3 3.698684 3.765720 0.189973 Rho 0.3194238E+03 3,-3 47 3 -3 -3.843055 3.757030 -0.213733 Rho 0.3186814E+03 3,-3 48 3 -3 -3.731323 -3.771575 0.197826 Rho 0.3194249E+03 3,-3 49 3 -3 -3.759560 0.190856 -3.750785 Rho 0.3195814E+03 3,-3 50 3 -3 -3.785549 -0.217411 3.746601 Rho 0.3195860E+03 3,-3 51 3 -3 3.744584 0.241030 3.739590 Rho 0.3195755E+03 3,-3 52 3 -3 3.768562 -0.241650 -3.739333 Rho 0.3195767E+03 3,-3 53 3 -3 0.003590 -0.003820 -0.022297 Rho 0.4276079E+05 3,-3 54 3 -3 -3.865652 4.375499 -0.975361 Rho 0.4431870E+00 3,-3 55 3 +1 -2.159961 -1.119011 -1.369687 Rho 0.2828364E-01 |GRAD(Rho)| 0.2501346E-16 GRAD(Rho)x -0.2413711E-16 GRAD(Rho)y -0.6177287E-17 GRAD(Rho)z 0.2216780E-17 Laplacian 0.1148114E+00 (-1/4)Del**2(Rho)) -0.2870285E-01 Diamond 0.1817485E-01 Metallicity 0.1575870E+01 Ellipticity -0.4304544E+01 Gb(Abramov) 0.2667389E-01 Vb(Abramov) -0.2464493E-01 Hb(Abramov) 0.2028959E-02 Ex_ueg -0.6364516E-02 Ec_ueg -0.1255420E-02 Delta_ex -0.7415610E-02 Delta_ec 0.2010240E-02 Delta_et -0.1827425E-01 Pxc 0.5069632E+01 Qxc -0.3688919E+01 3,+1 56 3 +1 0.517375 1.661122 0.507622 Rho 0.9099572E-02 |GRAD(Rho)| 0.7327523E-13 GRAD(Rho)x -0.2667366E-13 GRAD(Rho)y 0.6824774E-13 GRAD(Rho)z 0.1413306E-15 Laplacian 0.3525166E-01 (-1/4)Del**2(Rho)) -0.8812915E-02 Diamond 0.1007665E-02 Metallicity 0.7752977E+00 Ellipticity -0.1464786E+01 Gb(Abramov) 0.7014049E-02 Vb(Abramov) -0.5215183E-02 Hb(Abramov) 0.1798866E-02 Ex_ueg -0.1403071E-02 Ec_ueg -0.3273874E-03 Delta_ex -0.1628993E-02 Delta_ec 0.4876835E-03 Delta_et -0.3388624E-02 Pxc 0.4285660E+01 Qxc -0.3340267E+01 3,+1 57 3 +1 -0.488109 1.666998 -0.598615 Rho 0.9031751E-02 |GRAD(Rho)| 0.7458896E-17 GRAD(Rho)x -0.4856018E-17 GRAD(Rho)y -0.5012026E-17 GRAD(Rho)z 0.2633214E-17 Laplacian 0.3637856E-01 (-1/4)Del**2(Rho)) -0.9094639E-02 Diamond 0.1080432E-02 Metallicity 0.7419722E+00 Ellipticity -0.1471370E+01 Gb(Abramov) 0.7187754E-02 Vb(Abramov) -0.5280869E-02 Hb(Abramov) 0.1906885E-02 Ex_ueg -0.1389145E-02 Ec_ueg -0.3243390E-03 Delta_ex -0.1699437E-02 Delta_ec 0.5417939E-03 Delta_et -0.3726092E-02 Pxc 0.4283004E+01 Qxc -0.3136686E+01 3,+1 58 3 +1 -1.672856 0.464436 -0.574808 Rho 0.9174999E-02 |GRAD(Rho)| 0.1312505E-13 GRAD(Rho)x 0.8080877E-14 GRAD(Rho)y -0.1033406E-13 GRAD(Rho)z 0.4165535E-15 Laplacian 0.3664075E-01 (-1/4)Del**2(Rho)) -0.9160188E-02 Diamond 0.1078262E-02 Metallicity 0.7562385E+00 Ellipticity -0.1452947E+01 Gb(Abramov) 0.7261340E-02 Vb(Abramov) -0.5362492E-02 Hb(Abramov) 0.1898848E-02 Ex_ueg -0.1418599E-02 Ec_ueg -0.3307800E-03 Delta_ex -0.1704619E-02 Delta_ec 0.5209418E-03 Delta_et -0.3615979E-02 Pxc 0.4288649E+01 Qxc -0.3272188E+01 3,+1 59 3 +1 0.503370 0.565768 1.641633 Rho 0.8559535E-02 |GRAD(Rho)| 0.3305367E-12 GRAD(Rho)x 0.2886707E-12 GRAD(Rho)y 0.1608684E-12 GRAD(Rho)z -0.6711919E-14 Laplacian 0.3302016E-01 (-1/4)Del**2(Rho)) -0.8255040E-02 Diamond 0.8875135E-03 Metallicity 0.7474538E+00 Ellipticity -0.1468797E+01 Gb(Abramov) 0.6531736E-02 Vb(Abramov) -0.4808433E-02 Hb(Abramov) 0.1723303E-02 Ex_ueg -0.1293159E-02 Ec_ueg -0.3031700E-03 Delta_ex -0.1511004E-02 Delta_ec 0.4723487E-03 Delta_et -0.3218304E-02 Pxc 0.4265459E+01 Qxc -0.3198915E+01 3,+1 60 3 -1 -3.857983 4.238886 -0.809842 Rho 0.3274592E+00 |GRAD(Rho)| 0.1182878E-14 GRAD(Rho)x 0.5906211E-15 GRAD(Rho)y 0.4353029E-16 GRAD(Rho)z -0.1023949E-14 Laplacian -0.1823740E+01 (-1/4)Del**2(Rho)) 0.4559350E+00 Diamond 0.6408820E+01 Metallicity -0.5878218E+01 Ellipticity 0.1660365E-02 Gb(Abramov) 0.1427242E+00 Vb(Abramov) -0.7413834E+00 Hb(Abramov) -0.5986592E+00 Ex_ueg -0.1666971E+00 Ec_ueg -0.2069510E-01 Delta_ex 0.1837677E+00 Delta_ec 0.6272783E-01 Delta_et -0.1506509E+01 Pxc 0.8054908E+01 Qxc 0.2929604E+01 3,-1 61 3 -1 -2.905233 0.008520 0.074999 Rho 0.5700605E-02 |GRAD(Rho)| 0.5751435E-15 GRAD(Rho)x 0.5049640E-15 GRAD(Rho)y 0.2215838E-15 GRAD(Rho)z 0.1634073E-15 Laplacian 0.2312818E-01 (-1/4)Del**2(Rho)) -0.5782045E-02 Diamond 0.7520232E-03 Metallicity 0.5420092E+00 Ellipticity 0.2241032E+01 Gb(Abramov) 0.4377017E-02 Vb(Abramov) -0.2971989E-02 Hb(Abramov) 0.1405028E-02 Ex_ueg -0.7521071E-03 Ec_ueg -0.1771862E-03 Delta_ex -0.1264375E-02 Delta_ec 0.8795222E-03 Delta_et -0.4908015E-02 Pxc 0.4244728E+01 Qxc -0.1437570E+01 3,-1 62 3 +1 -0.104090 -2.883484 -0.128315 Rho 0.5296637E-02 |GRAD(Rho)| 0.8194836E-17 GRAD(Rho)x -0.7204690E-17 GRAD(Rho)y -0.1086899E-17 GRAD(Rho)z 0.3750525E-17 Laplacian 0.2155885E-01 (-1/4)Del**2(Rho)) -0.5389712E-02 Diamond 0.5621016E-03 Metallicity 0.5144241E+00 Ellipticity -0.5920123E+01 Gb(Abramov) 0.4055241E-02 Vb(Abramov) -0.2720770E-02 Hb(Abramov) 0.1334471E-02 Ex_ueg -0.6818968E-03 Ec_ueg -0.1597005E-03 Delta_ex -0.1100122E-02 Delta_ec 0.7077951E-03 Delta_et -0.3899377E-02 Pxc 0.4269846E+01 Qxc -0.1554294E+01 3,+1 63 3 -1 -3.232670 -0.068430 3.197163 Rho 0.2456350E+00 |GRAD(Rho)| 0.4767167E-15 GRAD(Rho)x 0.2720263E-15 GRAD(Rho)y 0.1368534E-15 GRAD(Rho)z -0.3667856E-15 Laplacian 0.8667605E+00 (-1/4)Del**2(Rho)) -0.2166901E+00 Diamond 0.3179650E+01 Metallicity 0.7659451E+01 Ellipticity 0.1523453E-02 Gb(Abramov) 0.4210813E+00 Vb(Abramov) -0.6254725E+00 Hb(Abramov) -0.2043912E+00 Ex_ueg -0.1136158E+00 Ec_ueg -0.1482951E-01 Delta_ex -0.1055008E+00 Delta_ec 0.1926717E-01 Delta_et -0.2682200E+00 Pxc 0.7661464E+01 Qxc -0.5475678E+01 3,-1 64 3 -1 -3.195776 0.025358 -3.215850 Rho 0.2446222E+00 |GRAD(Rho)| 0.5069814E-15 GRAD(Rho)x 0.2037758E-15 GRAD(Rho)y 0.2293088E-16 GRAD(Rho)z -0.4636591E-15 Laplacian 0.8719801E+00 (-1/4)Del**2(Rho)) -0.2179950E+00 Diamond 0.3170681E+01 Metallicity 0.7561358E+01 Ellipticity 0.3140093E-02 Gb(Abramov) 0.4200531E+00 Vb(Abramov) -0.6221111E+00 Hb(Abramov) -0.2020581E+00 Ex_ueg -0.1129916E+00 Ec_ueg -0.1475922E-01 Delta_ex -0.1059581E+00 Delta_ec 0.1929355E-01 Delta_et -0.2680426E+00 Pxc 0.7655664E+01 Qxc -0.5491891E+01 3,-1 65 3 +1 -2.912691 -0.250340 -0.198101 Rho 0.5537033E-02 |GRAD(Rho)| 0.1266777E-16 GRAD(Rho)x 0.6575374E-18 GRAD(Rho)y 0.1033360E-16 GRAD(Rho)z -0.7297721E-17 Laplacian 0.2331233E-01 (-1/4)Del**2(Rho)) -0.5828082E-02 Diamond 0.5440878E-03 Metallicity 0.5122587E+00 Ellipticity -0.1891638E+01 Gb(Abramov) 0.4382969E-02 Vb(Abramov) -0.2937856E-02 Hb(Abramov) 0.1445113E-02 Ex_ueg -0.7234711E-03 Ec_ueg -0.1700962E-03 Delta_ex -0.1117854E-02 Delta_ec 0.6190517E-03 Delta_et -0.3512380E-02 Pxc 0.4253305E+01 Qxc -0.1805752E+01 3,+1 66 3 -1 -1.715952 -1.746359 -0.542069 Rho 0.4769581E-01 |GRAD(Rho)| 0.1188532E-15 GRAD(Rho)x -0.5921480E-16 GRAD(Rho)y -0.8551475E-16 GRAD(Rho)z 0.5750570E-16 Laplacian 0.1950316E+00 (-1/4)Del**2(Rho)) -0.4875789E-01 Diamond 0.9167002E-01 Metallicity 0.2216368E+01 Ellipticity 0.1268928E-01 Gb(Abramov) 0.5051617E-01 Vb(Abramov) -0.5227444E-01 Hb(Abramov) -0.1758277E-02 Ex_ueg -0.1277493E-01 Ec_ueg -0.2287908E-02 Delta_ex -0.1581587E-01 Delta_ec 0.5726774E-02 Delta_et -0.5962444E-01 Pxc 0.5583675E+01 Qxc -0.2761742E+01 3,-1 67 3 +1 -1.390075 1.070444 2.139553 Rho 0.2643495E-01 |GRAD(Rho)| 0.8710569E-16 GRAD(Rho)x -0.2414225E-16 GRAD(Rho)y -0.4623741E-18 GRAD(Rho)z 0.8369193E-16 Laplacian 0.1050649E+00 (-1/4)Del**2(Rho)) -0.2626621E-01 Diamond 0.1489684E-01 Metallicity 0.1538579E+01 Ellipticity -0.3738043E+01 Gb(Abramov) 0.2424625E-01 Vb(Abramov) -0.2222629E-01 Hb(Abramov) 0.2019962E-02 Ex_ueg -0.5815983E-02 Ec_ueg -0.1161230E-02 Delta_ex -0.6638616E-02 Delta_ec 0.1793289E-02 Delta_et -0.1604428E-01 Pxc 0.5008468E+01 Qxc -0.3701922E+01 3,+1 68 3 +1 -1.661894 -0.536090 0.527702 Rho 0.8659441E-02 |GRAD(Rho)| 0.1066148E-16 GRAD(Rho)x 0.3881052E-17 GRAD(Rho)y 0.8954346E-17 GRAD(Rho)z 0.4292363E-17 Laplacian 0.3363063E-01 (-1/4)Del**2(Rho)) -0.8407659E-02 Diamond 0.9225754E-03 Metallicity 0.7482175E+00 Ellipticity -0.1471507E+01 Gb(Abramov) 0.6653565E-02 Vb(Abramov) -0.4899472E-02 Hb(Abramov) 0.1754093E-02 Ex_ueg -0.1313323E-02 Ec_ueg -0.3076405E-03 Delta_ex -0.1545350E-02 Delta_ec 0.4844671E-03 Delta_et -0.3308077E-02 Pxc 0.4269019E+01 Qxc -0.3189794E+01 3,+1 69 3 +1 -2.892233 0.139156 0.210976 Rho 0.5675085E-02 |GRAD(Rho)| 0.1993909E-12 GRAD(Rho)x 0.5751350E-13 GRAD(Rho)y -0.1335323E-12 GRAD(Rho)z -0.1364481E-12 Laplacian 0.2383594E-01 (-1/4)Del**2(Rho)) -0.5958985E-02 Diamond 0.6386105E-03 Metallicity 0.5219972E+00 Ellipticity -0.2872636E+01 Gb(Abramov) 0.4491086E-02 Vb(Abramov) -0.3023186E-02 Hb(Abramov) 0.1467900E-02 Ex_ueg -0.7476211E-03 Ec_ueg -0.1760792E-03 Delta_ex -0.1198651E-02 Delta_ec 0.7219266E-03 Delta_et -0.4083851E-02 Pxc 0.4245938E+01 Qxc -0.1660350E+01 3,+1 70 3 -1 -3.184507 -3.221290 0.054316 Rho 0.2547441E+00 |GRAD(Rho)| 0.7400450E-15 GRAD(Rho)x 0.2141299E-15 GRAD(Rho)y 0.6975757E-15 GRAD(Rho)z -0.1233009E-15 Laplacian 0.9253022E+00 (-1/4)Del**2(Rho)) -0.2313256E+00 Diamond 0.3501958E+01 Metallicity 0.7623769E+01 Ellipticity 0.1689364E-02 Gb(Abramov) 0.4481458E+00 Vb(Abramov) -0.6649660E+00 Hb(Abramov) -0.2168202E+00 Ex_ueg -0.1192680E+00 Ec_ueg -0.1546428E-01 Delta_ex -0.1134864E+00 Delta_ec 0.1995343E-01 Delta_et -0.2762258E+00 Pxc 0.7712483E+01 Qxc -0.5687564E+01 3,-1 71 3 -1 -2.982526 -2.005974 -0.855350 Rho 0.1421929E+00 |GRAD(Rho)| 0.3453416E-15 GRAD(Rho)x 0.2400966E-15 GRAD(Rho)y -0.2209333E-15 GRAD(Rho)z 0.1131500E-15 Laplacian 0.5595763E+00 (-1/4)Del**2(Rho)) -0.1398941E+00 Diamond 0.1068529E+01 Metallicity 0.4770353E+01 Ellipticity 0.3723903E-01 Gb(Abramov) 0.2044868E+00 Vb(Abramov) -0.2690794E+00 Hb(Abramov) -0.6459268E-01 Ex_ueg -0.5481370E-01 Ec_ueg -0.7945638E-02 Delta_ex -0.5936577E-01 Delta_ec 0.1448276E-01 Delta_et -0.1915258E+00 Pxc 0.6898590E+01 Qxc -0.4099064E+01 3,-1 72 3 -1 -2.966987 1.956387 0.835695 Rho 0.1365207E+00 |GRAD(Rho)| 0.7126451E-12 GRAD(Rho)x -0.3110938E-12 GRAD(Rho)y -0.3632023E-12 GRAD(Rho)z 0.5283633E-12 Laplacian 0.5367342E+00 (-1/4)Del**2(Rho)) -0.1341836E+00 Diamond 0.9685598E+00 Metallicity 0.4647132E+01 Ellipticity 0.1600725E-01 Gb(Abramov) 0.1933838E+00 Vb(Abramov) -0.2525841E+00 Hb(Abramov) -0.5920025E-01 Ex_ueg -0.5191784E-01 Ec_ueg -0.7586313E-02 Delta_ex -0.5629784E-01 Delta_ec 0.1387947E-01 Delta_et -0.1821095E+00 Pxc 0.6843619E+01 Qxc -0.4056197E+01 3,-1 73 3 -1 -1.993264 2.937804 0.843411 Rho 0.1373657E+00 |GRAD(Rho)| 0.3653283E-15 GRAD(Rho)x 0.2702509E-15 GRAD(Rho)y -0.1538889E-16 GRAD(Rho)z 0.2453414E-15 Laplacian 0.5344872E+00 (-1/4)Del**2(Rho)) -0.1336218E+00 Diamond 0.9732007E+00 Metallicity 0.4714904E+01 Ellipticity 0.2564512E-01 Gb(Abramov) 0.1940835E+00 Vb(Abramov) -0.2545453E+00 Hb(Abramov) -0.6046173E-01 Ex_ueg -0.5234670E-01 Ec_ueg -0.7639708E-02 Delta_ex -0.5616331E-01 Delta_ec 0.1383108E-01 Delta_et -0.1817082E+00 Pxc 0.6851925E+01 Qxc -0.4060658E+01 3,-1 74 3 -1 -3.206945 3.175588 -0.112008 Rho 0.1758882E+00 |GRAD(Rho)| 0.5023317E-15 GRAD(Rho)x -0.2661987E-15 GRAD(Rho)y 0.4194778E-15 GRAD(Rho)z -0.7425430E-16 Laplacian 0.6885175E+00 (-1/4)Del**2(Rho)) -0.1721294E+00 Diamond 0.1716570E+01 Metallicity 0.5526191E+01 Ellipticity 0.1144254E+00 Gb(Abramov) 0.2732896E+00 Vb(Abramov) -0.3744498E+00 Hb(Abramov) -0.1011602E+00 Ex_ueg -0.7278367E-01 Ec_ueg -0.1012085E-01 Delta_ex -0.7714279E-01 Delta_ec 0.1716774E-01 Delta_et -0.2342560E+00 Pxc 0.7191461E+01 Qxc -0.4493475E+01 3,-1 75 3 -1 -2.759397 -1.828089 0.565657 Rho 0.1399225E+00 |GRAD(Rho)| 0.3946382E-14 GRAD(Rho)x -0.3891296E-14 GRAD(Rho)y -0.6527981E-15 GRAD(Rho)z 0.7479640E-16 Laplacian 0.5889532E+00 (-1/4)Del**2(Rho)) -0.1472383E+00 Diamond 0.1099233E+01 Metallicity 0.4412432E+01 Ellipticity 0.1015950E-01 Gb(Abramov) 0.2064387E+00 Vb(Abramov) -0.2656391E+00 Hb(Abramov) -0.5920040E-01 Ex_ueg -0.5364982E-01 Ec_ueg -0.7801560E-02 Delta_ex -0.6219587E-01 Delta_ec 0.1522767E-01 Delta_et -0.2007325E+00 Pxc 0.6876807E+01 Qxc -0.4084397E+01 3,-1 76 3 +1 0.180589 0.214632 -2.879497 Rho 0.5322386E-02 |GRAD(Rho)| 0.3166174E-15 GRAD(Rho)x 0.2001055E-15 GRAD(Rho)y 0.2436848E-15 GRAD(Rho)z -0.2867154E-16 Laplacian 0.2198920E-01 (-1/4)Del**2(Rho)) -0.5497301E-02 Diamond 0.5007943E-03 Metallicity 0.5084493E+00 Ellipticity -0.2089874E+01 Gb(Abramov) 0.4130717E-02 Vb(Abramov) -0.2764133E-02 Hb(Abramov) 0.1366584E-02 Ex_ueg -0.6863204E-03 Ec_ueg -0.1608127E-03 Delta_ex -0.1057959E-02 Delta_ec 0.6055736E-03 Delta_et -0.3385881E-02 Pxc 0.4267825E+01 Qxc -0.1747037E+01 3,+1 77 3 +1 -1.293844 -1.179166 -2.188211 Rho 0.2801640E-01 |GRAD(Rho)| 0.4539434E-16 GRAD(Rho)x -0.1935543E-16 GRAD(Rho)y 0.4449843E-17 GRAD(Rho)z -0.4081926E-16 Laplacian 0.1142457E+00 (-1/4)Del**2(Rho)) -0.2856142E-01 Diamond 0.1888406E-01 Metallicity 0.1558813E+01 Ellipticity -0.7069938E+01 Gb(Abramov) 0.2646126E-01 Vb(Abramov) -0.2436111E-01 Hb(Abramov) 0.2100153E-02 Ex_ueg -0.6284464E-02 Ec_ueg -0.1241752E-02 Delta_ex -0.7456770E-02 Delta_ec 0.2172518E-02 Delta_et -0.1967964E-01 Pxc 0.5060964E+01 Qxc -0.3432317E+01 3,+1 78 3 +3 -2.307129 -0.069090 -0.018921 Rho 0.4826839E-02 |GRAD(Rho)| 0.1248650E-16 GRAD(Rho)x 0.6952485E-17 GRAD(Rho)y 0.3066212E-17 GRAD(Rho)z -0.9908277E-17 Laplacian 0.2001659E-01 (-1/4)Del**2(Rho)) -0.5004147E-02 Diamond 0.1878834E-03 Metallicity 0.4746001E+00 Ellipticity -0.3861568E+00 Gb(Abramov) 0.3731926E-02 Vb(Abramov) -0.2459705E-02 Hb(Abramov) 0.1272221E-02 Ex_ueg -0.6024701E-03 Ec_ueg -0.1394686E-03 Delta_ex -0.7380571E-03 Delta_ec 0.1832017E-03 Delta_et -0.1165899E-02 Pxc 0.4319754E+01 Qxc -0.4028659E+01 3,+3 79 3 +1 -0.582346 -0.504229 1.661773 Rho 0.8084679E-02 |GRAD(Rho)| 0.6034306E-17 GRAD(Rho)x -0.2909922E-18 GRAD(Rho)y 0.5231439E-17 GRAD(Rho)z -0.2993361E-17 Laplacian 0.3108529E-01 (-1/4)Del**2(Rho)) -0.7771322E-02 Diamond 0.7880371E-03 Metallicity 0.7219319E+00 Ellipticity -0.1470695E+01 Gb(Abramov) 0.6115942E-02 Vb(Abramov) -0.4460562E-02 Hb(Abramov) 0.1655380E-02 Ex_ueg -0.1198401E-02 Ec_ueg -0.2819825E-03 Delta_ex -0.1409525E-02 Delta_ec 0.4577867E-03 Delta_et -0.3062684E-02 Pxc 0.4249912E+01 Qxc -0.3079000E+01 3,+1 80 3 -1 -0.838208 -2.004616 -2.997726 Rho 0.1279056E+00 |GRAD(Rho)| 0.1291673E-15 GRAD(Rho)x 0.8473040E-16 GRAD(Rho)y 0.9746300E-16 GRAD(Rho)z 0.2432679E-17 Laplacian 0.5036692E+00 (-1/4)Del**2(Rho)) -0.1259173E+00 Diamond 0.8489306E+00 Metallicity 0.4442393E+01 Ellipticity 0.2322945E-01 Gb(Abramov) 0.1771739E+00 Vb(Abramov) -0.2284305E+00 Hb(Abramov) -0.5125660E-01 Ex_ueg -0.4759607E-01 Ec_ueg -0.7044542E-02 Delta_ex -0.5210816E-01 Delta_ec 0.1341716E-01 Delta_et -0.1745710E+00 Pxc 0.6756447E+01 Qxc -0.3883696E+01 3,-1 81 3 +1 -0.199895 -0.165208 -2.871843 Rho 0.5374813E-02 |GRAD(Rho)| 0.3842122E-17 GRAD(Rho)x -0.1572284E-17 GRAD(Rho)y -0.3503558E-17 GRAD(Rho)z -0.1220885E-18 Laplacian 0.2215087E-01 (-1/4)Del**2(Rho)) -0.5537717E-02 Diamond 0.5406433E-03 Metallicity 0.5130520E+00 Ellipticity -0.2644684E+01 Gb(Abramov) 0.4165334E-02 Vb(Abramov) -0.2792951E-02 Hb(Abramov) 0.1372383E-02 Ex_ueg -0.6953491E-03 Ec_ueg -0.1630780E-03 Delta_ex -0.1092716E-02 Delta_ec 0.6543882E-03 Delta_et -0.3649096E-02 Pxc 0.4263904E+01 Qxc -0.1669829E+01 3,+1 82 3 +1 -1.728258 -1.762901 1.758460 Rho 0.1216503E-01 |GRAD(Rho)| 0.8684351E-12 GRAD(Rho)x -0.7323765E-12 GRAD(Rho)y 0.3235878E-12 GRAD(Rho)z -0.3362961E-12 Laplacian 0.6156825E-01 (-1/4)Del**2(Rho)) -0.1539206E-01 Diamond 0.2521321E-02 Metallicity 0.7201861E+00 Ellipticity -0.1248680E+01 Gb(Abramov) 0.1210890E-01 Vb(Abramov) -0.8825737E-02 Hb(Abramov) 0.3283163E-02 Ex_ueg -0.2066343E-02 Ec_ueg -0.4671925E-03 Delta_ex -0.3039442E-02 Delta_ec 0.8030157E-03 Delta_et -0.6038470E-02 Pxc 0.4422894E+01 Qxc -0.3785034E+01 3,+1 83 3 -1 -1.990541 -0.889794 -3.022741 Rho 0.1472898E+00 |GRAD(Rho)| 0.1978069E-15 GRAD(Rho)x 0.1468010E-15 GRAD(Rho)y -0.1308632E-15 GRAD(Rho)z 0.2125714E-16 Laplacian 0.5747019E+00 (-1/4)Del**2(Rho)) -0.1436755E+00 Diamond 0.1130488E+01 Metallicity 0.4925593E+01 Ellipticity 0.6155920E-01 Gb(Abramov) 0.2137315E+00 Vb(Abramov) -0.2837875E+00 Hb(Abramov) -0.7005599E-01 Ex_ueg -0.5744895E-01 Ec_ueg -0.8270251E-02 Delta_ex -0.6135089E-01 Delta_ec 0.1448503E-01 Delta_et -0.1919654E+00 Pxc 0.6946458E+01 Qxc -0.4235469E+01 3,-1 84 3 +3 -1.097359 -1.097317 1.128108 Rho 0.5060813E-02 |GRAD(Rho)| 0.1498806E-13 GRAD(Rho)x -0.7084108E-14 GRAD(Rho)y 0.9813837E-14 GRAD(Rho)z -0.8840015E-14 Laplacian 0.1956700E-01 (-1/4)Del**2(Rho)) -0.4891750E-02 Diamond 0.1408041E-03 Metallicity 0.5253589E+00 Ellipticity -0.1375195E+00 Gb(Abramov) 0.3689487E-02 Vb(Abramov) -0.2487225E-02 Hb(Abramov) 0.1202263E-02 Ex_ueg -0.6417198E-03 Ec_ueg -0.1495308E-03 Delta_ex -0.6800170E-03 Delta_ec 0.8926006E-04 Delta_et -0.6992544E-03 Pxc 0.4291557E+01 Qxc -0.7618379E+01 3,+3 85 3 -1 -1.972603 -3.001528 -0.865574 Rho 0.1404350E+00 |GRAD(Rho)| 0.4070758E-15 GRAD(Rho)x 0.2416009E-15 GRAD(Rho)y -0.1065296E-15 GRAD(Rho)z -0.3098243E-15 Laplacian 0.5522909E+00 (-1/4)Del**2(Rho)) -0.1380727E+00 Diamond 0.1039169E+01 Metallicity 0.4734101E+01 Ellipticity 0.3214473E-01 Gb(Abramov) 0.2009902E+00 Vb(Abramov) -0.2639077E+00 Hb(Abramov) -0.6291747E-01 Ex_ueg -0.5391201E-01 Ec_ueg -0.7834056E-02 Delta_ex -0.5841773E-01 Delta_ec 0.1434133E-01 Delta_et -0.1893082E+00 Pxc 0.6881749E+01 Qxc -0.4073383E+01 3,-1 86 3 +1 -0.522602 -1.679083 0.527687 Rho 0.8800605E-02 |GRAD(Rho)| 0.6108889E-16 GRAD(Rho)x -0.4661226E-16 GRAD(Rho)y -0.3899702E-16 GRAD(Rho)z 0.6195311E-17 Laplacian 0.3431304E-01 (-1/4)Del**2(Rho)) -0.8578261E-02 Diamond 0.9491001E-03 Metallicity 0.7533697E+00 Ellipticity -0.1457780E+01 Gb(Abramov) 0.6795941E-02 Vb(Abramov) -0.5013621E-02 Hb(Abramov) 0.1782320E-02 Ex_ueg -0.1341946E-02 Ec_ueg -0.3139646E-03 Delta_ex -0.1577404E-02 Delta_ec 0.4840254E-03 Delta_et -0.3326995E-02 Pxc 0.4274195E+01 Qxc -0.3258928E+01 3,+1 87 3 -1 -1.790430 -2.793445 0.557067 Rho 0.1417873E+00 |GRAD(Rho)| 0.5536367E-12 GRAD(Rho)x -0.4146597E-12 GRAD(Rho)y 0.7840888E-13 GRAD(Rho)z -0.3583614E-12 Laplacian 0.5947031E+00 (-1/4)Del**2(Rho)) -0.1486758E+00 Diamond 0.1126194E+01 Metallicity 0.4467265E+01 Ellipticity 0.1168405E-01 Gb(Abramov) 0.2098129E+00 Vb(Abramov) -0.2709499E+00 Hb(Abramov) -0.6113708E-01 Ex_ueg -0.5460529E-01 Ec_ueg -0.7919872E-02 Delta_ex -0.6298920E-01 Delta_ec 0.1529679E-01 Delta_et -0.2019809E+00 Pxc 0.6894719E+01 Qxc -0.4117806E+01 3,-1 88 3 +1 -1.763962 1.717054 -1.721042 Rho 0.1226445E-01 |GRAD(Rho)| 0.3911112E-16 GRAD(Rho)x -0.3179293E-16 GRAD(Rho)y -0.4344209E-17 GRAD(Rho)z -0.2236107E-16 Laplacian 0.6154116E-01 (-1/4)Del**2(Rho)) -0.1538529E-01 Diamond 0.2586765E-02 Metallicity 0.7303438E+00 Ellipticity -0.1288036E+01 Gb(Abramov) 0.1212962E-01 Vb(Abramov) -0.8873948E-02 Hb(Abramov) 0.3255672E-02 Ex_ueg -0.2088890E-02 Ec_ueg -0.4717905E-03 Delta_ex -0.3055378E-02 Delta_ec 0.8218363E-03 Delta_et -0.6177818E-02 Pxc 0.4427580E+01 Qxc -0.3717745E+01 3,+1 89 3 -1 -1.728350 1.708322 0.487946 Rho 0.5907329E-01 |GRAD(Rho)| 0.3217165E-15 GRAD(Rho)x -0.2922602E-16 GRAD(Rho)y 0.5554249E-16 GRAD(Rho)z 0.3155350E-15 Laplacian 0.2392596E+00 (-1/4)Del**2(Rho)) -0.5981490E-01 Diamond 0.1486768E+00 Metallicity 0.2580650E+01 Ellipticity 0.1507554E-01 Gb(Abramov) 0.6560349E-01 Vb(Abramov) -0.7139207E-01 Hb(Abramov) -0.5788584E-02 Ex_ueg -0.1699182E-01 Ec_ueg -0.2922230E-02 Delta_ex -0.2042396E-01 Delta_ec 0.6905984E-02 Delta_et -0.7592318E-01 Pxc 0.5814677E+01 Qxc -0.2957429E+01 3,-1 90 3 +3 -0.057909 0.031866 2.307830 Rho 0.4426590E-02 |GRAD(Rho)| 0.4962708E-15 GRAD(Rho)x -0.4053528E-15 GRAD(Rho)y 0.2812299E-15 GRAD(Rho)z 0.5369904E-16 Laplacian 0.1788322E-01 (-1/4)Del**2(Rho)) -0.4470806E-02 Diamond 0.1509597E-03 Metallicity 0.4598500E+00 Ellipticity -0.3040641E+00 Gb(Abramov) 0.3323187E-02 Vb(Abramov) -0.2175568E-02 Hb(Abramov) 0.1147619E-02 Ex_ueg -0.5367978E-03 Ec_ueg -0.1223207E-03 Delta_ex -0.6468145E-03 Delta_ec 0.1670176E-03 Delta_et -0.1036431E-02 Pxc 0.4388447E+01 Qxc -0.3872732E+01 3,+3 91 3 -1 -1.800984 2.733962 -0.562711 Rho 0.1873546E+00 |GRAD(Rho)| 0.2563237E-14 GRAD(Rho)x 0.1732826E-14 GRAD(Rho)y -0.1879451E-14 GRAD(Rho)z 0.1875128E-15 Laplacian 0.7842027E+00 (-1/4)Del**2(Rho)) -0.1960507E+00 Diamond 0.2044154E+01 Metallicity 0.5390454E+01 Ellipticity 0.1632926E-01 Gb(Abramov) 0.3068341E+00 Vb(Abramov) -0.4176176E+00 Hb(Abramov) -0.1107835E+00 Ex_ueg -0.7917793E-01 Ec_ueg -0.1087627E-01 Delta_ex -0.8878501E-01 Delta_ec 0.1837391E-01 Delta_et -0.2498213E+00 Pxc 0.7279879E+01 Qxc -0.4832123E+01 3,-1 92 3 +1 -0.541954 0.529996 -1.660883 Rho 0.8932254E-02 |GRAD(Rho)| 0.2100772E-16 GRAD(Rho)x 0.1239201E-16 GRAD(Rho)y 0.6631146E-17 GRAD(Rho)z 0.1561378E-16 Laplacian 0.3458992E-01 (-1/4)Del**2(Rho)) -0.8647479E-02 Diamond 0.1004652E-02 Metallicity 0.7660646E+00 Ellipticity -0.1507822E+01 Gb(Abramov) 0.6869074E-02 Vb(Abramov) -0.5090669E-02 Hb(Abramov) 0.1778405E-02 Ex_ueg -0.1368778E-02 Ec_ueg -0.3198704E-03 Delta_ex -0.1608269E-02 Delta_ec 0.5095960E-03 Delta_et -0.3498788E-02 Pxc 0.4279165E+01 Qxc -0.3155968E+01 3,+1 93 3 -1 -1.723966 -0.571310 -1.759279 Rho 0.4360750E-01 |GRAD(Rho)| 0.7624142E-16 GRAD(Rho)x 0.5464315E-16 GRAD(Rho)y -0.4011802E-16 GRAD(Rho)z 0.3489162E-16 Laplacian 0.1855862E+00 (-1/4)Del**2(Rho)) -0.4639654E-01 Diamond 0.7984225E-01 Metallicity 0.2006024E+01 Ellipticity 0.1014813E-01 Gb(Abramov) 0.4644313E-01 Vb(Abramov) -0.4648971E-01 Hb(Abramov) -0.4658475E-04 Ex_ueg -0.1133618E-01 Ec_ueg -0.2064692E-02 Delta_ex -0.1485082E-01 Delta_ec 0.5694884E-02 Delta_et -0.5795070E-01 Pxc 0.5490492E+01 Qxc -0.2607748E+01 3,-1 94 3 +1 -1.243852 -2.184524 -1.207213 Rho 0.2989098E-01 |GRAD(Rho)| 0.3639095E-16 GRAD(Rho)x 0.1551348E-16 GRAD(Rho)y 0.3281168E-16 GRAD(Rho)z -0.2650719E-17 Laplacian 0.1237784E+00 (-1/4)Del**2(Rho)) -0.3094460E-01 Diamond 0.2265306E-01 Metallicity 0.1602760E+01 Ellipticity -0.1034175E+02 Gb(Abramov) 0.2889586E-01 Vb(Abramov) -0.2684712E-01 Hb(Abramov) 0.2048739E-02 Ex_ueg -0.6851282E-02 Ec_ueg -0.1337985E-02 Delta_ex -0.8243399E-02 Delta_ec 0.2397795E-02 Delta_et -0.2206900E-01 Pxc 0.5120597E+01 Qxc -0.3437908E+01 3,+1 95 3 -1 -0.036395 -2.888202 -0.060156 Rho 0.5299148E-02 |GRAD(Rho)| 0.2653769E-17 GRAD(Rho)x 0.1906682E-17 GRAD(Rho)y -0.1450366E-17 GRAD(Rho)z 0.1141707E-17 Laplacian 0.2131202E-01 (-1/4)Del**2(Rho)) -0.5328005E-02 Diamond 0.6023127E-03 Metallicity 0.5207932E+00 Ellipticity 0.5714160E+01 Gb(Abramov) 0.4014468E-02 Vb(Abramov) -0.2700931E-02 Hb(Abramov) 0.1313537E-02 Ex_ueg -0.6823279E-03 Ec_ueg -0.1598090E-03 Delta_ex -0.1127406E-02 Delta_ec 0.7707166E-03 Delta_et -0.4219276E-02 Pxc 0.4269646E+01 Qxc -0.1462802E+01 3,-1 96 3 -1 -1.834027 -0.567860 2.786982 Rho 0.1211490E+00 |GRAD(Rho)| 0.1032915E-13 GRAD(Rho)x -0.7845355E-14 GRAD(Rho)y 0.6630045E-14 GRAD(Rho)z -0.1088200E-14 Laplacian 0.5043028E+00 (-1/4)Del**2(Rho)) -0.1260757E+00 Diamond 0.7838013E+00 Metallicity 0.4053107E+01 Ellipticity 0.6371492E-02 Gb(Abramov) 0.1692169E+00 Vb(Abramov) -0.2123580E+00 Hb(Abramov) -0.4314115E-01 Ex_ueg -0.4427359E-01 Ec_ueg -0.6623114E-02 Delta_ex -0.5133520E-01 Delta_ec 0.1331043E-01 Delta_et -0.1710945E+00 Pxc 0.6684709E+01 Qxc -0.3856765E+01 3,-1 97 3 +1 0.164499 -0.175402 2.881626 Rho 0.5090663E-02 |GRAD(Rho)| 0.3293557E-17 GRAD(Rho)x 0.2293174E-17 GRAD(Rho)y -0.8594456E-18 GRAD(Rho)z -0.2202322E-17 Laplacian 0.2102385E-01 (-1/4)Del**2(Rho)) -0.5255963E-02 Diamond 0.4870702E-03 Metallicity 0.4937702E+00 Ellipticity -0.2635529E+01 Gb(Abramov) 0.3936515E-02 Vb(Abramov) -0.2617067E-02 Hb(Abramov) 0.1319448E-02 Ex_ueg -0.6467715E-03 Ec_ueg -0.1508165E-03 Delta_ex -0.1035143E-02 Delta_ec 0.6374284E-03 Delta_et -0.3490425E-02 Pxc 0.4288467E+01 Qxc -0.1623937E+01 3,+1 98 3 -1 -1.826092 0.533827 -2.775840 Rho 0.1348531E+00 |GRAD(Rho)| 0.5103262E-15 GRAD(Rho)x 0.3670566E-15 GRAD(Rho)y 0.3208019E-15 GRAD(Rho)z -0.1509582E-15 Laplacian 0.5679055E+00 (-1/4)Del**2(Rho)) -0.1419764E+00 Diamond 0.9976554E+00 Metallicity 0.4303007E+01 Ellipticity 0.1574260E-01 Gb(Abramov) 0.1964718E+00 Vb(Abramov) -0.2509672E+00 Hb(Abramov) -0.5449543E-01 Ex_ueg -0.5107398E-01 Ec_ueg -0.7481064E-02 Delta_ex -0.5925066E-01 Delta_ec 0.1448057E-01 Delta_et -0.1891434E+00 Pxc 0.6827101E+01 Qxc -0.4091735E+01 3,-1 99 3 +3 0.025177 -2.342627 0.011904 Rho 0.4691565E-02 |GRAD(Rho)| 0.3681899E-17 GRAD(Rho)x -0.3572414E-17 GRAD(Rho)y 0.8869025E-18 GRAD(Rho)z 0.8739925E-19 Laplacian 0.1912147E-01 (-1/4)Del**2(Rho)) -0.4780367E-02 Diamond 0.1811368E-03 Metallicity 0.4738288E+00 Ellipticity -0.3202900E+00 Gb(Abramov) 0.3564424E-02 Vb(Abramov) -0.2348481E-02 Hb(Abramov) 0.1215943E-02 Ex_ueg -0.5800632E-03 Ec_ueg -0.1336638E-03 Delta_ex -0.7084711E-03 Delta_ec 0.1902646E-03 Delta_et -0.1181312E-02 Pxc 0.4339718E+01 Qxc -0.3723610E+01 3,+3 100 3 +1 -0.131375 0.113317 2.904238 Rho 0.5123404E-02 |GRAD(Rho)| 0.2009173E-17 GRAD(Rho)x -0.1983218E-17 GRAD(Rho)y -0.2895533E-18 GRAD(Rho)z -0.1406432E-18 Laplacian 0.2083615E-01 (-1/4)Del**2(Rho)) -0.5209037E-02 Diamond 0.5205799E-03 Metallicity 0.5035702E+00 Ellipticity -0.4288491E+01 Gb(Abramov) 0.3909877E-02 Vb(Abramov) -0.2610717E-02 Hb(Abramov) 0.1299160E-02 Ex_ueg -0.6523237E-03 Ec_ueg -0.1522272E-03 Delta_ex -0.1057465E-02 Delta_ec 0.6857861E-03 Delta_et -0.3739794E-02 Pxc 0.4285197E+01 Qxc -0.1541974E+01 3,+1 101 3 -1 -1.766868 0.543142 1.712261 Rho 0.3902092E-01 |GRAD(Rho)| 0.4355525E-16 GRAD(Rho)x -0.1764391E-16 GRAD(Rho)y -0.3368258E-16 GRAD(Rho)z 0.2124232E-16 Laplacian 0.1644156E+00 (-1/4)Del**2(Rho)) -0.4110390E-01 Diamond 0.6058248E-01 Metallicity 0.1881479E+01 Ellipticity 0.9396559E-02 Gb(Abramov) 0.4029196E-01 Vb(Abramov) -0.3948001E-01 Hb(Abramov) 0.8119469E-03 Ex_ueg -0.9774963E-02 Ec_ueg -0.1817647E-02 Delta_ex -0.1278671E-01 Delta_ec 0.5023578E-02 Delta_et -0.4960416E-01 Pxc 0.5377812E+01 Qxc -0.2545339E+01 3,-1 102 3 +3 -1.103389 1.090685 -1.137054 Rho 0.5332964E-02 |GRAD(Rho)| 0.7883499E-17 GRAD(Rho)x 0.4409634E-17 GRAD(Rho)y -0.4563373E-18 GRAD(Rho)z -0.6518929E-17 Laplacian 0.2109654E-01 (-1/4)Del**2(Rho)) -0.5274136E-02 Diamond 0.1651765E-03 Metallicity 0.5317199E+00 Ellipticity -0.3717283E+00 Gb(Abramov) 0.3983485E-02 Vb(Abramov) -0.2692833E-02 Hb(Abramov) 0.1290651E-02 Ex_ueg -0.6881397E-03 Ec_ueg -0.1612696E-03 Delta_ex -0.7456757E-03 Delta_ec 0.9938258E-04 Delta_et -0.7769326E-03 Pxc 0.4267014E+01 Qxc -0.7503082E+01 3,+3 103 3 -1 -0.831051 -2.996628 -1.992406 Rho 0.1418385E+00 |GRAD(Rho)| 0.1477577E-13 GRAD(Rho)x -0.6674999E-14 GRAD(Rho)y 0.6177608E-14 GRAD(Rho)z 0.1164495E-13 Laplacian 0.5593964E+00 (-1/4)Del**2(Rho)) -0.1398491E+00 Diamond 0.1063105E+01 Metallicity 0.4752080E+01 Ellipticity 0.3686622E-01 Gb(Abramov) 0.2039951E+00 Vb(Abramov) -0.2681411E+00 Hb(Abramov) -0.6414599E-01 Ex_ueg -0.5463160E-01 Ec_ueg -0.7923125E-02 Delta_ex -0.5929039E-01 Delta_ec 0.1445083E-01 Delta_et -0.1909559E+00 Pxc 0.6895208E+01 Qxc -0.4102905E+01 3,-1 104 3 +1 0.185632 2.906648 -0.225417 Rho 0.5412243E-02 |GRAD(Rho)| 0.3823678E-17 GRAD(Rho)x 0.2636608E-17 GRAD(Rho)y 0.3518599E-18 GRAD(Rho)z 0.2746818E-17 Laplacian 0.2288773E-01 (-1/4)Del**2(Rho)) -0.5721933E-02 Diamond 0.5055958E-03 Metallicity 0.5023108E+00 Ellipticity -0.1761111E+01 Gb(Abramov) 0.4293654E-02 Vb(Abramov) -0.2865374E-02 Hb(Abramov) 0.1428280E-02 Ex_ueg -0.7018131E-03 Ec_ueg -0.1646962E-03 Delta_ex -0.1081944E-02 Delta_ec 0.5892323E-03 Delta_et -0.3329664E-02 Pxc 0.4261258E+01 Qxc -0.1836192E+01 3,+1 105 3 +1 -1.095834 2.153427 1.367574 Rho 0.3062232E-01 |GRAD(Rho)| 0.3909252E-16 GRAD(Rho)x 0.3592724E-16 GRAD(Rho)y -0.1540923E-16 GRAD(Rho)z 0.1188543E-18 Laplacian 0.1232579E+00 (-1/4)Del**2(Rho)) -0.3081447E-01 Diamond 0.2024893E-01 Metallicity 0.1675697E+01 Ellipticity -0.3429002E+01 Gb(Abramov) 0.2914893E-01 Vb(Abramov) -0.2748339E-01 Hb(Abramov) 0.1665539E-02 Ex_ueg -0.7075698E-02 Ec_ueg -0.1375752E-02 Delta_ex -0.8006963E-02 Delta_ec 0.1933341E-02 Delta_et -0.1792980E-01 Pxc 0.5143149E+01 Qxc -0.4141515E+01 3,+1 106 3 -1 -0.865035 1.967387 2.996773 Rho 0.1434516E+00 |GRAD(Rho)| 0.1846534E-15 GRAD(Rho)x 0.1647039E-15 GRAD(Rho)y 0.6722053E-17 GRAD(Rho)z 0.8321252E-16 Laplacian 0.5645536E+00 (-1/4)Del**2(Rho)) -0.1411384E+00 Diamond 0.1088674E+01 Metallicity 0.4798258E+01 Ellipticity 0.3516452E-01 Gb(Abramov) 0.2069620E+00 Vb(Abramov) -0.2727856E+00 Hb(Abramov) -0.6582362E-01 Ex_ueg -0.5546158E-01 Ec_ueg -0.8025649E-02 Delta_ex -0.6001387E-01 Delta_ec 0.1456446E-01 Delta_et -0.1928255E+00 Pxc 0.6910542E+01 Qxc -0.4120570E+01 3,-1 107 3 +1 1.394602 1.066536 -2.210634 Rho 0.2581631E-01 |GRAD(Rho)| 0.3835098E-16 GRAD(Rho)x 0.9958551E-17 GRAD(Rho)y -0.2938469E-17 GRAD(Rho)z -0.3691870E-16 Laplacian 0.1016396E+00 (-1/4)Del**2(Rho)) -0.2540991E-01 Diamond 0.1343266E-01 Metallicity 0.1528881E+01 Ellipticity -0.3122463E+01 Gb(Abramov) 0.2341473E-01 Vb(Abramov) -0.2141955E-01 Hb(Abramov) 0.1995181E-02 Ex_ueg -0.5635217E-02 Ec_ueg -0.1129901E-02 Delta_ex -0.6327909E-02 Delta_ec 0.1638930E-02 Delta_et -0.1459891E-01 Pxc 0.4987353E+01 Qxc -0.3861001E+01 3,+1 108 3 +3 0.038353 2.324436 -0.071855 Rho 0.4833829E-02 |GRAD(Rho)| 0.3672043E-15 GRAD(Rho)x 0.6501507E-16 GRAD(Rho)y -0.2322681E-15 GRAD(Rho)z -0.2768819E-15 Laplacian 0.2015040E-01 (-1/4)Del**2(Rho)) -0.5037600E-02 Diamond 0.1967299E-03 Metallicity 0.4725869E+00 Ellipticity -0.4845647E+00 Gb(Abramov) 0.3755184E-02 Vb(Abramov) -0.2472768E-02 Hb(Abramov) 0.1282416E-02 Ex_ueg -0.6036336E-03 Ec_ueg -0.1397688E-03 Delta_ex -0.7502789E-03 Delta_ec 0.1969450E-03 Delta_et -0.1236317E-02 Pxc 0.4318801E+01 Qxc -0.3809586E+01 3,+3 109 3 +1 0.554198 -1.659703 -0.533885 Rho 0.9077031E-02 |GRAD(Rho)| 0.2236730E-16 GRAD(Rho)x 0.1761752E-16 GRAD(Rho)y 0.1198059E-16 GRAD(Rho)z -0.6810628E-17 Laplacian 0.3520230E-01 (-1/4)Del**2(Rho)) -0.8800576E-02 Diamond 0.1010647E-02 Metallicity 0.7731821E+00 Ellipticity -0.1471342E+01 Gb(Abramov) 0.7001125E-02 Vb(Abramov) -0.5201674E-02 Hb(Abramov) 0.1799451E-02 Ex_ueg -0.1398439E-02 Ec_ueg -0.3263740E-03 Delta_ex -0.1628950E-02 Delta_ec 0.4928342E-03 Delta_et -0.3417510E-02 Pxc 0.4284774E+01 Qxc -0.3305271E+01 3,+1 110 3 -1 -0.564861 -2.779811 1.819240 Rho 0.1310192E+00 |GRAD(Rho)| 0.1961315E-12 GRAD(Rho)x 0.1200458E-12 GRAD(Rho)y 0.2929304E-13 GRAD(Rho)z 0.1523105E-12 Laplacian 0.5502539E+00 (-1/4)Del**2(Rho)) -0.1375635E+00 Diamond 0.9357693E+00 Metallicity 0.4232612E+01 Ellipticity 0.6759832E-02 Gb(Abramov) 0.1887511E+00 Vb(Abramov) -0.2399388E+00 Hb(Abramov) -0.5118765E-01 Ex_ueg -0.4914717E-01 Ec_ueg -0.7239783E-02 Delta_ex -0.5703263E-01 Delta_ec 0.1417258E-01 Delta_et -0.1843826E+00 Pxc 0.6788486E+01 Qxc -0.4024153E+01 3,-1 111 3 +1 0.194298 -2.886011 0.175245 Rho 0.5229001E-02 |GRAD(Rho)| 0.3013801E-17 GRAD(Rho)x -0.2563076E-17 GRAD(Rho)y -0.1584851E-17 GRAD(Rho)z -0.4344249E-19 Laplacian 0.2163585E-01 (-1/4)Del**2(Rho)) -0.5408962E-02 Diamond 0.5001131E-03 Metallicity 0.5017305E+00 Ellipticity -0.2305520E+01 Gb(Abramov) 0.4058281E-02 Vb(Abramov) -0.2707601E-02 Hb(Abramov) 0.1350680E-02 Ex_ueg -0.6703116E-03 Ec_ueg -0.1567809E-03 Delta_ex -0.1053808E-02 Delta_ec 0.6254663E-03 Delta_et -0.3465232E-02 Pxc 0.4275466E+01 Qxc -0.1684836E+01 3,+1 112 3 -1 -0.563500 1.738330 1.703872 Rho 0.4493638E-01 |GRAD(Rho)| 0.1511004E-13 GRAD(Rho)x 0.1134875E-13 GRAD(Rho)y -0.2090643E-14 GRAD(Rho)z 0.9754401E-14 Laplacian 0.1822697E+00 (-1/4)Del**2(Rho)) -0.4556741E-01 Diamond 0.7879205E-01 Metallicity 0.2147314E+01 Ellipticity 0.1140376E-01 Gb(Abramov) 0.4668620E-01 Vb(Abramov) -0.4780499E-01 Hb(Abramov) -0.1118787E-02 Ex_ueg -0.1179911E-01 Ec_ueg -0.2136949E-02 Delta_ex -0.1455090E-01 Delta_ec 0.5335688E-02 Delta_et -0.5468452E-01 Pxc 0.5521474E+01 Qxc -0.2727090E+01 3,-1 113 3 -1 -0.542317 2.742099 -1.835296 Rho 0.8619464E-01 |GRAD(Rho)| 0.9625523E-15 GRAD(Rho)x 0.4500320E-15 GRAD(Rho)y -0.9267980E-16 GRAD(Rho)z -0.8458064E-15 Laplacian 0.3532909E+00 (-1/4)Del**2(Rho)) -0.8832272E-01 Diamond 0.3674600E+00 Metallicity 0.3280559E+01 Ellipticity 0.1901364E-01 Gb(Abramov) 0.1071731E+00 Vb(Abramov) -0.1260235E+00 Hb(Abramov) -0.1885041E-01 Ex_ueg -0.2812065E-01 Ec_ueg -0.4496661E-02 Delta_ex -0.3327526E-01 Delta_ec 0.1018165E-01 Delta_et -0.1226492E+00 Pxc 0.6253674E+01 Qxc -0.3268159E+01 3,-1 114 3 -1 -0.893284 2.973964 1.998898 Rho 0.1463556E+00 |GRAD(Rho)| 0.2103581E-15 GRAD(Rho)x -0.5725943E-16 GRAD(Rho)y 0.1811566E-15 GRAD(Rho)z -0.9030049E-16 Laplacian 0.5808420E+00 (-1/4)Del**2(Rho)) -0.1452105E+00 Diamond 0.1147077E+01 Metallicity 0.4822112E+01 Ellipticity 0.5223157E-01 Gb(Abramov) 0.2135105E+00 Vb(Abramov) -0.2818106E+00 Hb(Abramov) -0.6830004E-01 Ex_ueg -0.5696360E-01 Ec_ueg -0.8210627E-02 Delta_ex -0.6204547E-01 Delta_ec 0.1490569E-01 Delta_et -0.1979106E+00 Pxc 0.6937788E+01 Qxc -0.4162535E+01 3,-1 115 3 -1 0.564003 1.712349 -1.783821 Rho 0.4414457E-01 |GRAD(Rho)| 0.7202595E-16 GRAD(Rho)x -0.2126720E-16 GRAD(Rho)y 0.6197846E-16 GRAD(Rho)z -0.2990175E-16 Laplacian 0.1881731E+00 (-1/4)Del**2(Rho)) -0.4704329E-01 Diamond 0.8250290E-01 Metallicity 0.2019223E+01 Ellipticity 0.1718511E-01 Gb(Abramov) 0.4719401E-01 Vb(Abramov) -0.4734473E-01 Hb(Abramov) -0.1507205E-03 Ex_ueg -0.1152271E-01 Ec_ueg -0.2093860E-02 Delta_ex -0.1511325E-01 Delta_ec 0.5791024E-02 Delta_et -0.5912588E-01 Pxc 0.5503098E+01 Qxc -0.2609771E+01 3,-1 116 3 +3 -0.012909 0.015341 -2.330836 Rho 0.4778331E-02 |GRAD(Rho)| 0.1055498E-16 GRAD(Rho)x -0.8821600E-17 GRAD(Rho)y 0.4434821E-18 GRAD(Rho)z -0.5778430E-17 Laplacian 0.1946112E-01 (-1/4)Del**2(Rho)) -0.4865281E-02 Diamond 0.1884368E-03 Metallicity 0.4799974E+00 Ellipticity -0.3400320E+00 Gb(Abramov) 0.3632741E-02 Vb(Abramov) -0.2400201E-02 Hb(Abramov) 0.1232540E-02 Ex_ueg -0.5944108E-03 Ec_ueg -0.1373860E-03 Delta_ex -0.7238609E-03 Delta_ec 0.1926592E-03 Delta_et -0.1202818E-02 Pxc 0.4326575E+01 Qxc -0.3757210E+01 3,+3 117 3 -1 -0.512506 -1.741343 -1.728093 Rho 0.4871864E-01 |GRAD(Rho)| 0.7109130E-16 GRAD(Rho)x 0.1769494E-16 GRAD(Rho)y -0.5593467E-16 GRAD(Rho)z -0.4015190E-16 Laplacian 0.1988879E+00 (-1/4)Del**2(Rho)) -0.4972198E-01 Diamond 0.9637426E-01 Metallicity 0.2251628E+01 Ellipticity 0.1630938E-01 Gb(Abramov) 0.5180723E-01 Vb(Abramov) -0.5389247E-01 Hb(Abramov) -0.2085244E-02 Ex_ueg -0.1314151E-01 Ec_ueg -0.2344169E-02 Delta_ex -0.1622195E-01 Delta_ec 0.5851444E-02 Delta_et -0.6126472E-01 Pxc 0.5606044E+01 Qxc -0.2772299E+01 3,-1 118 3 -1 -0.578811 -1.816326 2.795319 Rho 0.1451048E+00 |GRAD(Rho)| 0.8936436E-16 GRAD(Rho)x -0.3275646E-16 GRAD(Rho)y -0.8245358E-16 GRAD(Rho)z -0.1069633E-16 Laplacian 0.6104102E+00 (-1/4)Del**2(Rho)) -0.1526026E+00 Diamond 0.1169622E+01 Metallicity 0.4523360E+01 Ellipticity 0.2395077E-01 Gb(Abramov) 0.2167811E+00 Vb(Abramov) -0.2809596E+00 Hb(Abramov) -0.6417853E-01 Ex_ueg -0.5631545E-01 Ec_ueg -0.8130893E-02 Delta_ex -0.6482269E-01 Delta_ec 0.1526100E-01 Delta_et -0.2014214E+00 Pxc 0.6926109E+01 Qxc -0.4247606E+01 3,-1 119 3 +3 1.090472 1.099399 1.112982 Rho 0.5284528E-02 |GRAD(Rho)| 0.4440741E-14 GRAD(Rho)x 0.2778360E-14 GRAD(Rho)y -0.2327654E-14 GRAD(Rho)z 0.2565721E-14 Laplacian 0.2045745E-01 (-1/4)Del**2(Rho)) -0.5114362E-02 Diamond 0.1519445E-03 Metallicity 0.5400560E+00 Ellipticity -0.5091787E-01 Gb(Abramov) 0.3869915E-02 Vb(Abramov) -0.2625468E-02 Hb(Abramov) 0.1244447E-02 Ex_ueg -0.6798191E-03 Ec_ueg -0.1591777E-03 Delta_ex -0.7158786E-03 Delta_ec 0.8676641E-04 Delta_et -0.7030107E-03 Pxc 0.4270819E+01 Qxc -0.8250642E+01 3,+3 120 3 +1 0.534865 -0.526762 -1.668066 Rho 0.9237146E-02 |GRAD(Rho)| 0.6970875E-16 GRAD(Rho)x -0.5538700E-16 GRAD(Rho)y 0.9117615E-18 GRAD(Rho)z 0.4231736E-16 Laplacian 0.3589041E-01 (-1/4)Del**2(Rho)) -0.8972602E-02 Diamond 0.1054455E-02 Metallicity 0.7807844E+00 Ellipticity -0.1476038E+01 Gb(Abramov) 0.7149346E-02 Vb(Abramov) -0.5326090E-02 Hb(Abramov) 0.1823256E-02 Ex_ueg -0.1431426E-02 Ec_ueg -0.3335772E-03 Delta_ex -0.1667871E-02 Delta_ec 0.5018659E-03 Delta_et -0.3496214E-02 Pxc 0.4291138E+01 Qxc -0.3323340E+01 3,+1 121 3 +3 1.144726 -1.102817 -1.106104 Rho 0.5315000E-02 |GRAD(Rho)| 0.1362608E-13 GRAD(Rho)x -0.8018210E-14 GRAD(Rho)y -0.7430548E-14 GRAD(Rho)z 0.8134212E-14 Laplacian 0.2059954E-01 (-1/4)Del**2(Rho)) -0.5149885E-02 Diamond 0.1538775E-03 Metallicity 0.5414950E+00 Ellipticity -0.5924274E-01 Gb(Abramov) 0.3898030E-02 Vb(Abramov) -0.2646174E-02 Hb(Abramov) 0.1251856E-02 Ex_ueg -0.6850508E-03 Ec_ueg -0.1604936E-03 Delta_ex -0.7217240E-03 Delta_ec 0.8685845E-04 Delta_et -0.7059434E-03 Pxc 0.4268399E+01 Qxc -0.8309198E+01 3,+3 122 3 -1 -0.465019 -0.482675 -0.488031 Rho 0.1874889E+00 |GRAD(Rho)| 0.2110393E-12 GRAD(Rho)x 0.1132879E-12 GRAD(Rho)y 0.1333586E-12 GRAD(Rho)z 0.1179785E-12 Laplacian 0.5219976E+00 (-1/4)Del**2(Rho)) -0.1304994E+00 Diamond 0.1410779E+01 Metallicity 0.8107819E+01 Ellipticity 0.2142670E-02 Gb(Abramov) 0.2633439E+00 Vb(Abramov) -0.3961883E+00 Hb(Abramov) -0.1328445E+00 Ex_ueg -0.7925365E-01 Ec_ueg -0.1088517E-01 Delta_ex -0.5947175E-01 Delta_ec 0.1287444E-01 Delta_et -0.1771446E+00 Pxc 0.7280886E+01 Qxc -0.4619366E+01 3,-1 123 3 -1 -0.481518 0.478551 0.431528 Rho 0.1826086E+00 |GRAD(Rho)| 0.3451533E-15 GRAD(Rho)x 0.3191891E-15 GRAD(Rho)y -0.1283695E-15 GRAD(Rho)z -0.2775558E-16 Laplacian 0.4952065E+00 (-1/4)Del**2(Rho)) -0.1238016E+00 Diamond 0.1300499E+01 Metallicity 0.8178910E+01 Ellipticity 0.1150336E-01 Gb(Abramov) 0.2512948E+00 Vb(Abramov) -0.3787880E+00 Hb(Abramov) -0.1274932E+00 Ex_ueg -0.7651501E-01 Ec_ueg -0.1056268E-01 Delta_ex -0.5607642E-01 Delta_ec 0.1235118E-01 Delta_et -0.1696153E+00 Pxc 0.7243898E+01 Qxc -0.4540168E+01 3,-1 124 3 -1 -0.027058 0.011939 2.898499 Rho 0.5131588E-02 |GRAD(Rho)| 0.1697193E-15 GRAD(Rho)x -0.9355644E-17 GRAD(Rho)y -0.1671381E-15 GRAD(Rho)z -0.2796345E-16 Laplacian 0.2055232E-01 (-1/4)Del**2(Rho)) -0.5138081E-02 Diamond 0.5725853E-03 Metallicity 0.5118844E+00 Ellipticity 0.4357196E+01 Gb(Abramov) 0.3863738E-02 Vb(Abramov) -0.2589395E-02 Hb(Abramov) 0.1274343E-02 Ex_ueg -0.6537135E-03 Ec_ueg -0.1525800E-03 Delta_ex -0.1095395E-02 Delta_ec 0.7693173E-03 Delta_et -0.4161516E-02 Pxc 0.4284399E+01 Qxc -0.1423854E+01 3,-1 125 3 -1 -0.043867 -0.007248 -2.881210 Rho 0.5408710E-02 |GRAD(Rho)| 0.1023318E-16 GRAD(Rho)x 0.8405997E-17 GRAD(Rho)y -0.5832472E-17 GRAD(Rho)z 0.1987535E-18 Laplacian 0.2159183E-01 (-1/4)Del**2(Rho)) -0.5397958E-02 Diamond 0.6464383E-03 Metallicity 0.5318794E+00 Ellipticity 0.2277080E+01 Gb(Abramov) 0.4077149E-02 Vb(Abramov) -0.2756340E-02 Hb(Abramov) 0.1320809E-02 Ex_ueg -0.7012023E-03 Ec_ueg -0.1645435E-03 Delta_ex -0.1162607E-02 Delta_ec 0.8095089E-03 Delta_et -0.4449296E-02 Pxc 0.4261502E+01 Qxc -0.1436188E+01 3,-1 126 3 -1 0.512223 -1.723605 1.744657 Rho 0.4200977E-01 |GRAD(Rho)| 0.3757768E-13 GRAD(Rho)x -0.1342453E-13 GRAD(Rho)y -0.2461428E-13 GRAD(Rho)z 0.2502003E-13 Laplacian 0.1768380E+00 (-1/4)Del**2(Rho)) -0.4420949E-01 Diamond 0.7248221E-01 Metallicity 0.1978282E+01 Ellipticity 0.1126102E-01 Gb(Abramov) 0.4404947E-01 Vb(Abramov) -0.4388944E-01 Hb(Abramov) 0.1600233E-03 Ex_ueg -0.1078579E-01 Ec_ueg -0.1978213E-02 Delta_ex -0.1402975E-01 Delta_ec 0.5443962E-02 Delta_et -0.5484608E-01 Pxc 0.5452291E+01 Qxc -0.2577121E+01 3,-1 127 3 -1 0.570321 -1.794615 -2.774544 Rho 0.1433965E+00 |GRAD(Rho)| 0.4571932E-14 GRAD(Rho)x -0.3569925E-14 GRAD(Rho)y -0.2752816E-14 GRAD(Rho)z 0.7617062E-15 Laplacian 0.5992249E+00 (-1/4)Del**2(Rho)) -0.1498062E+00 Diamond 0.1148020E+01 Metallicity 0.4517735E+01 Ellipticity 0.1028193E-01 Gb(Abramov) 0.2126683E+00 Vb(Abramov) -0.2755303E+00 Hb(Abramov) -0.6286205E-01 Ex_ueg -0.5543316E-01 Ec_ueg -0.8022142E-02 Delta_ex -0.6361973E-01 Delta_ec 0.1532856E-01 Delta_et -0.2026471E+00 Pxc 0.6910020E+01 Qxc -0.4150406E+01 3,-1 128 3 -1 -0.079962 -3.187528 3.216488 Rho 0.2440441E+00 |GRAD(Rho)| 0.1148353E-10 GRAD(Rho)x -0.2043367E-11 GRAD(Rho)y -0.8016652E-11 GRAD(Rho)z 0.7964256E-11 Laplacian 0.8675841E+00 (-1/4)Del**2(Rho)) -0.2168960E+00 Diamond 0.3149252E+01 Metallicity 0.7569761E+01 Ellipticity 0.3858896E-03 Gb(Abramov) 0.4182392E+00 Vb(Abramov) -0.6195824E+00 Hb(Abramov) -0.2013432E+00 Ex_ueg -0.1126357E+00 Ec_ueg -0.1471912E-01 Delta_ex -0.1053771E+00 Delta_ec 0.1924261E-01 Delta_et -0.2674612E+00 Pxc 0.7652342E+01 Qxc -0.5476236E+01 3,-1 129 3 -1 0.595125 -2.772596 -1.802238 Rho 0.1494569E+00 |GRAD(Rho)| 0.4624196E-14 GRAD(Rho)x -0.2826732E-14 GRAD(Rho)y 0.4703811E-15 GRAD(Rho)z -0.3629258E-14 Laplacian 0.6328650E+00 (-1/4)Del**2(Rho)) -0.1582163E+00 Diamond 0.1276858E+01 Metallicity 0.4583128E+01 Ellipticity 0.8882259E-02 Gb(Abramov) 0.2263317E+00 Vb(Abramov) -0.2944472E+00 Hb(Abramov) -0.6811548E-01 Ex_ueg -0.5857869E-01 Ec_ueg -0.8408757E-02 Delta_ex -0.6790250E-01 Delta_ec 0.1607050E-01 Delta_et -0.2138191E+00 Pxc 0.6966392E+01 Qxc -0.4225289E+01 3,-1 130 3 -1 0.101744 -3.204314 -3.194460 Rho 0.2549049E+00 |GRAD(Rho)| 0.8082494E-15 GRAD(Rho)x 0.1310800E-15 GRAD(Rho)y -0.7556889E-16 GRAD(Rho)z -0.7939613E-15 Laplacian 0.9272300E+00 (-1/4)Del**2(Rho)) -0.2318075E+00 Diamond 0.3509494E+01 Metallicity 0.7615927E+01 Ellipticity 0.1820611E-02 Gb(Abramov) 0.4487765E+00 Vb(Abramov) -0.6657455E+00 Hb(Abramov) -0.2169690E+00 Ex_ueg -0.1193684E+00 Ec_ueg -0.1547553E-01 Delta_ex -0.1137298E+00 Delta_ec 0.1996983E-01 Delta_et -0.2763532E+00 Pxc 0.7713365E+01 Qxc -0.5695082E+01 3,-1 131 3 +1 1.731502 1.735688 1.729573 Rho 0.1224077E-01 |GRAD(Rho)| 0.2427931E-16 GRAD(Rho)x 0.1066110E-16 GRAD(Rho)y -0.1884368E-17 GRAD(Rho)z -0.2173188E-16 Laplacian 0.6192591E-01 (-1/4)Del**2(Rho)) -0.1548148E-01 Diamond 0.2548409E-02 Metallicity 0.7234724E+00 Ellipticity -0.1248029E+01 Gb(Abramov) 0.1218772E-01 Vb(Abramov) -0.8893967E-02 Hb(Abramov) 0.3293756E-02 Ex_ueg -0.2083515E-02 Ec_ueg -0.4706951E-03 Delta_ex -0.3059510E-02 Delta_ec 0.8030366E-03 Delta_et -0.6051315E-02 Pxc 0.4426464E+01 Qxc -0.3809926E+01 3,+1 132 3 +1 1.676475 -0.550027 -0.543293 Rho 0.8593437E-02 |GRAD(Rho)| 0.7914265E-17 GRAD(Rho)x 0.1106940E-17 GRAD(Rho)y -0.4915564E-17 GRAD(Rho)z 0.6103074E-17 Laplacian 0.3305109E-01 (-1/4)Del**2(Rho)) -0.8262773E-02 Diamond 0.8958132E-03 Metallicity 0.7516901E+00 Ellipticity -0.1477761E+01 Gb(Abramov) 0.6543689E-02 Vb(Abramov) -0.4824606E-02 Hb(Abramov) 0.1719084E-02 Ex_ueg -0.1299993E-02 Ec_ueg -0.3046865E-03 Delta_ex -0.1515133E-02 Delta_ec 0.4749422E-03 Delta_et -0.3237560E-02 Pxc 0.4266657E+01 Qxc -0.3190143E+01 3,+1 133 3 -1 -0.547045 1.797134 -2.795876 Rho 0.1280013E+00 |GRAD(Rho)| 0.1277282E-12 GRAD(Rho)x 0.8812481E-13 GRAD(Rho)y 0.9226302E-13 GRAD(Rho)z 0.6003556E-14 Laplacian 0.5346398E+00 (-1/4)Del**2(Rho)) -0.1336599E+00 Diamond 0.8855270E+00 Metallicity 0.4190274E+01 Ellipticity 0.1371061E-01 Gb(Abramov) 0.1824519E+00 Vb(Abramov) -0.2312439E+00 Hb(Abramov) -0.4879198E-01 Ex_ueg -0.4764355E-01 Ec_ueg -0.7050532E-02 Delta_ex -0.5512021E-01 Delta_ec 0.1387898E-01 Delta_et -0.1799525E+00 Pxc 0.6757440E+01 Qxc -0.3971487E+01 3,-1 134 3 +1 1.655978 0.524676 0.527946 Rho 0.9068093E-02 |GRAD(Rho)| 0.5005440E-17 GRAD(Rho)x 0.1950770E-17 GRAD(Rho)y -0.1088639E-17 GRAD(Rho)z 0.4479262E-17 Laplacian 0.3507880E-01 (-1/4)Del**2(Rho)) -0.8769699E-02 Diamond 0.1009670E-02 Metallicity 0.7746314E+00 Ellipticity -0.1478967E+01 Gb(Abramov) 0.6978680E-02 Vb(Abramov) -0.5187661E-02 Hb(Abramov) 0.1791019E-02 Ex_ueg -0.1396603E-02 Ec_ueg -0.3259722E-03 Delta_ex -0.1624474E-02 Delta_ec 0.4940442E-03 Delta_et -0.3422678E-02 Pxc 0.4284424E+01 Qxc -0.3288115E+01 3,+1 135 3 -1 0.840646 -2.985086 2.008341 Rho 0.1165404E+00 |GRAD(Rho)| 0.9633665E-16 GRAD(Rho)x -0.9508453E-16 GRAD(Rho)y 0.1022877E-16 GRAD(Rho)z 0.1162129E-16 Laplacian 0.4579471E+00 (-1/4)Del**2(Rho)) -0.1144868E+00 Diamond 0.6810846E+00 Metallicity 0.4184004E+01 Ellipticity 0.2907630E-01 Gb(Abramov) 0.1561600E+00 Vb(Abramov) -0.1978333E+00 Hb(Abramov) -0.4167326E-01 Ex_ueg -0.4204236E-01 Ec_ueg -0.6337473E-02 Delta_ex -0.4621129E-01 Delta_ec 0.1224110E-01 Delta_et -0.1563650E+00 Pxc 0.6633931E+01 Qxc -0.3775092E+01 3,-1 136 3 +1 1.757689 -1.725543 -1.756814 Rho 0.1224847E-01 |GRAD(Rho)| 0.2202318E-16 GRAD(Rho)x -0.5093539E-17 GRAD(Rho)y 0.5796690E-17 GRAD(Rho)z -0.2062704E-16 Laplacian 0.6176562E-01 (-1/4)Del**2(Rho)) -0.1544140E-01 Diamond 0.2540302E-02 Metallicity 0.7261107E+00 Ellipticity -0.1251412E+01 Gb(Abramov) 0.1216296E-01 Vb(Abramov) -0.8884524E-02 Hb(Abramov) 0.3278440E-02 Ex_ueg -0.2085263E-02 Ec_ueg -0.4710514E-03 Delta_ex -0.3051056E-02 Delta_ec 0.7990982E-03 Delta_et -0.6023976E-02 Pxc 0.4426827E+01 Qxc -0.3818124E+01 3,+1 137 3 -1 0.543501 1.809137 2.771752 Rho 0.1378400E+00 |GRAD(Rho)| 0.2659120E-15 GRAD(Rho)x -0.2445689E-15 GRAD(Rho)y -0.2168404E-17 GRAD(Rho)z -0.1043578E-15 Laplacian 0.5799287E+00 (-1/4)Del**2(Rho)) -0.1449822E+00 Diamond 0.1064243E+01 Metallicity 0.4370494E+01 Ellipticity 0.1194832E-01 Gb(Abramov) 0.2022621E+00 Vb(Abramov) -0.2595420E+00 Hb(Abramov) -0.5727989E-01 Ex_ueg -0.5258783E-01 Ec_ueg -0.7669701E-02 Delta_ex -0.6103304E-01 Delta_ec 0.1507249E-01 Delta_et -0.1982810E+00 Pxc 0.6856569E+01 Qxc -0.4049301E+01 3,-1 138 3 -1 0.529372 2.771855 1.803945 Rho 0.1398983E+00 |GRAD(Rho)| 0.4309952E-15 GRAD(Rho)x 0.1933675E-15 GRAD(Rho)y 0.3047082E-15 GRAD(Rho)z -0.2356242E-15 Laplacian 0.5897198E+00 (-1/4)Del**2(Rho)) -0.1474300E+00 Diamond 0.1099500E+01 Metallicity 0.4405428E+01 Ellipticity 0.9737896E-02 Gb(Abramov) 0.2065353E+00 Vb(Abramov) -0.2656407E+00 Hb(Abramov) -0.5910536E-01 Ex_ueg -0.5363747E-01 Ec_ueg -0.7800029E-02 Delta_ex -0.6226398E-01 Delta_ec 0.1522989E-01 Delta_et -0.2007185E+00 Pxc 0.6876573E+01 Qxc -0.4088276E+01 3,-1 139 3 -1 -0.045039 3.165772 -3.253193 Rho 0.2436664E+00 |GRAD(Rho)| 0.8805742E-15 GRAD(Rho)x 0.9733425E-16 GRAD(Rho)y -0.6614717E-15 GRAD(Rho)z 0.5730551E-15 Laplacian 0.8725597E+00 (-1/4)Del**2(Rho)) -0.2181399E+00 Diamond 0.3153900E+01 Metallicity 0.7507193E+01 Ellipticity 0.2394262E-02 Gb(Abramov) 0.4183630E+00 Vb(Abramov) -0.6185861E+00 Hb(Abramov) -0.2002231E+00 Ex_ueg -0.1124034E+00 Ec_ueg -0.1469293E-01 Delta_ex -0.1058993E+00 Delta_ec 0.1929191E-01 Delta_et -0.2678203E+00 Pxc 0.7650166E+01 Qxc -0.5489313E+01 3,-1 140 3 -1 0.026792 3.202604 3.203618 Rho 0.2554985E+00 |GRAD(Rho)| 0.4692046E-15 GRAD(Rho)x 0.3789287E-16 GRAD(Rho)y 0.4046243E-15 GRAD(Rho)z -0.2345129E-15 Laplacian 0.9239620E+00 (-1/4)Del**2(Rho)) -0.2309905E+00 Diamond 0.3514697E+01 Metallicity 0.7672547E+01 Ellipticity 0.1247812E-02 Gb(Abramov) 0.4493746E+00 Vb(Abramov) -0.6677586E+00 Hb(Abramov) -0.2183841E+00 Ex_ueg -0.1197391E+00 Ec_ueg -0.1551705E-01 Delta_ex -0.1134364E+00 Delta_ec 0.1995312E-01 Delta_et -0.2764573E+00 Pxc 0.7716617E+01 Qxc -0.5685147E+01 3,-1 141 3 +1 1.097651 2.162272 -1.369047 Rho 0.2874442E-01 |GRAD(Rho)| 0.7603719E-14 GRAD(Rho)x -0.2851071E-14 GRAD(Rho)y 0.3935543E-14 GRAD(Rho)z -0.5848029E-14 Laplacian 0.1175565E+00 (-1/4)Del**2(Rho)) -0.2938913E-01 Diamond 0.1943015E-01 Metallicity 0.1581086E+01 Ellipticity -0.5077477E+01 Gb(Abramov) 0.2733721E-01 Vb(Abramov) -0.2528529E-01 Hb(Abramov) 0.2051919E-02 Ex_ueg -0.6503139E-02 Ec_ueg -0.1279026E-02 Delta_ex -0.7662124E-02 Delta_ec 0.2123013E-02 Delta_et -0.1936715E-01 Pxc 0.5084445E+01 Qxc -0.3609080E+01 3,+1 142 3 -1 0.467271 -0.468318 0.460130 Rho 0.1896158E+00 |GRAD(Rho)| 0.3163291E-15 GRAD(Rho)x 0.2151057E-15 GRAD(Rho)y -0.8673617E-16 GRAD(Rho)z 0.2151057E-15 Laplacian 0.5263861E+00 (-1/4)Del**2(Rho)) -0.1315965E+00 Diamond 0.1436755E+01 Metallicity 0.8192815E+01 Ellipticity 0.4100937E-03 Gb(Abramov) 0.2674220E+00 Vb(Abramov) -0.4032475E+00 Hb(Abramov) -0.1358255E+00 Ex_ueg -0.8045467E-01 Ec_ueg -0.1102613E-01 Delta_ex -0.6010376E-01 Delta_ec 0.1287526E-01 Delta_et -0.1771512E+00 Pxc 0.7296728E+01 Qxc -0.4668159E+01 3,-1 143 3 -1 0.474182 0.467909 -0.492385 Rho 0.1882664E+00 |GRAD(Rho)| 0.2474278E-15 GRAD(Rho)x -0.1561251E-15 GRAD(Rho)y -0.1908196E-15 GRAD(Rho)z -0.2081668E-16 Laplacian 0.5241378E+00 (-1/4)Del**2(Rho)) -0.1310345E+00 Diamond 0.1420544E+01 Metallicity 0.8130592E+01 Ellipticity 0.2951764E-02 Gb(Abramov) 0.2649209E+00 Vb(Abramov) -0.3988074E+00 Hb(Abramov) -0.1338865E+00 Ex_ueg -0.7969211E-01 Ec_ueg -0.1093666E-01 Delta_ex -0.5975517E-01 Delta_ec 0.1287272E-01 Delta_et -0.1770736E+00 Pxc 0.7286695E+01 Qxc -0.4642002E+01 3,-1 144 3 -1 2.896098 0.036841 -0.064233 Rho 0.5338666E-02 |GRAD(Rho)| 0.1227844E-14 GRAD(Rho)x -0.3268305E-15 GRAD(Rho)y 0.7173387E-15 GRAD(Rho)z -0.9413864E-15 Laplacian 0.2141642E-01 (-1/4)Del**2(Rho)) -0.5354105E-02 Diamond 0.6293468E-03 Metallicity 0.5247119E+00 Ellipticity 0.3001759E+01 Gb(Abramov) 0.4037630E-02 Vb(Abramov) -0.2721156E-02 Hb(Abramov) 0.1316475E-02 Ex_ueg -0.6891209E-03 Ec_ueg -0.1615160E-03 Delta_ex -0.1149813E-02 Delta_ec 0.8018537E-03 Delta_et -0.4390104E-02 Pxc 0.4266580E+01 Qxc -0.1433944E+01 3,-1 145 3 -1 0.879293 1.978156 -3.068140 Rho 0.1653998E+00 |GRAD(Rho)| 0.9652340E-13 GRAD(Rho)x -0.6973195E-13 GRAD(Rho)y 0.5769167E-13 GRAD(Rho)z 0.3355432E-13 Laplacian 0.6388748E+00 (-1/4)Del**2(Rho)) -0.1597187E+00 Diamond 0.1444337E+01 Metallicity 0.5375545E+01 Ellipticity 0.7414655E-01 Gb(Abramov) 0.2495750E+00 Vb(Abramov) -0.3394312E+00 Hb(Abramov) -0.8985627E-01 Ex_ueg -0.6705510E-01 Ec_ueg -0.9436505E-02 Delta_ex -0.7018695E-01 Delta_ec 0.1563440E-01 Delta_et -0.2103157E+00 Pxc 0.7105925E+01 Qxc -0.4489263E+01 3,-1 146 3 +1 1.062374 -2.165818 1.395434 Rho 0.2678771E-01 |GRAD(Rho)| 0.5759348E-16 GRAD(Rho)x -0.2402534E-16 GRAD(Rho)y 0.5039539E-16 GRAD(Rho)z -0.1414556E-16 Laplacian 0.1068799E+00 (-1/4)Del**2(Rho)) -0.2671999E-01 Diamond 0.1487193E-01 Metallicity 0.1546237E+01 Ellipticity -0.3161727E+01 Gb(Abramov) 0.2469923E-01 Vb(Abramov) -0.2267848E-01 Hb(Abramov) 0.2020755E-02 Ex_ueg -0.5919692E-02 Ec_ueg -0.1179137E-02 Delta_ex -0.6721721E-02 Delta_ec 0.1724979E-02 Delta_et -0.1550073E-01 Pxc 0.5020360E+01 Qxc -0.3896698E+01 3,+1 147 3 -1 0.848900 -1.994744 2.992165 Rho 0.1276916E+00 |GRAD(Rho)| 0.7980893E-14 GRAD(Rho)x 0.7642460E-14 GRAD(Rho)y -0.2240328E-14 GRAD(Rho)z -0.5180725E-15 Laplacian 0.4963751E+00 (-1/4)Del**2(Rho)) -0.1240938E+00 Diamond 0.8244404E+00 Metallicity 0.4495113E+01 Ellipticity 0.4375383E-01 Gb(Abramov) 0.1756984E+00 Vb(Abramov) -0.2273031E+00 Hb(Abramov) -0.5160466E-01 Ex_ueg -0.4748994E-01 Ec_ueg -0.7031149E-02 Delta_ex -0.5120309E-01 Delta_ec 0.1299631E-01 Delta_et -0.1686320E+00 Pxc 0.6754222E+01 Qxc -0.3939816E+01 3,-1 148 3 -1 0.848542 2.973544 -2.038017 Rho 0.1397374E+00 |GRAD(Rho)| 0.9619241E-15 GRAD(Rho)x -0.3714883E-15 GRAD(Rho)y -0.2728734E-15 GRAD(Rho)z -0.8442953E-15 Laplacian 0.5419462E+00 (-1/4)Del**2(Rho)) -0.1354865E+00 Diamond 0.1002443E+01 Metallicity 0.4784589E+01 Ellipticity 0.4956775E-01 Gb(Abramov) 0.1983656E+00 Vb(Abramov) -0.2612447E+00 Hb(Abramov) -0.6287905E-01 Ex_ueg -0.5355522E-01 Ec_ueg -0.7789830E-02 Delta_ex -0.5713175E-01 Delta_ec 0.1387120E-01 Delta_et -0.1825127E+00 Pxc 0.6875018E+01 Qxc -0.4118730E+01 3,-1 149 3 -1 1.767865 2.771691 0.559143 Rho 0.1420061E+00 |GRAD(Rho)| 0.4524517E-15 GRAD(Rho)x 0.3217641E-15 GRAD(Rho)y -0.1608685E-15 GRAD(Rho)z -0.2744116E-15 Laplacian 0.6009689E+00 (-1/4)Del**2(Rho)) -0.1502422E+00 Diamond 0.1141118E+01 Metallicity 0.4432065E+01 Ellipticity 0.7131646E-02 Gb(Abramov) 0.2111420E+00 Vb(Abramov) -0.2720418E+00 Hb(Abramov) -0.6089980E-01 Ex_ueg -0.5471768E-01 Ec_ueg -0.7933768E-02 Delta_ex -0.6368698E-01 Delta_ec 0.1547029E-01 Delta_et -0.2043573E+00 Pxc 0.6896808E+01 Qxc -0.4116729E+01 3,-1 150 3 -1 2.956110 2.006792 -0.878678 Rho 0.1367751E+00 |GRAD(Rho)| 0.3656267E-13 GRAD(Rho)x -0.1304049E-13 GRAD(Rho)y 0.2362917E-13 GRAD(Rho)z 0.2466651E-13 Laplacian 0.5356567E+00 (-1/4)Del**2(Rho)) -0.1339142E+00 Diamond 0.9788125E+00 Metallicity 0.4670950E+01 Ellipticity 0.3134497E-01 Gb(Abramov) 0.1935272E+00 Vb(Abramov) -0.2531402E+00 Hb(Abramov) -0.5961302E-01 Ex_ueg -0.5204687E-01 Ec_ueg -0.7602385E-02 Delta_ex -0.5632327E-01 Delta_ec 0.1404715E-01 Delta_et -0.1847702E+00 Pxc 0.6846124E+01 Qxc -0.4009586E+01 3,-1 151 3 -1 1.725375 -1.734468 0.559700 Rho 0.4540387E-01 |GRAD(Rho)| 0.1496729E-15 GRAD(Rho)x 0.5014012E-16 GRAD(Rho)y -0.9333583E-16 GRAD(Rho)z 0.1057184E-15 Laplacian 0.1841616E+00 (-1/4)Del**2(Rho)) -0.4604040E-01 Diamond 0.8072633E-01 Metallicity 0.2162232E+01 Ellipticity 0.1386192E-01 Gb(Abramov) 0.4728527E-01 Vb(Abramov) -0.4853014E-01 Hb(Abramov) -0.1244868E-02 Ex_ueg -0.1196306E-01 Ec_ueg -0.2162438E-02 Delta_ex -0.1473958E-01 Delta_ec 0.5389619E-02 Delta_et -0.5538809E-01 Pxc 0.5532210E+01 Qxc -0.2734808E+01 3,-1 152 3 +1 1.101617 -1.349137 2.167239 Rho 0.2743719E-01 |GRAD(Rho)| 0.2276829E-16 GRAD(Rho)x -0.4405962E-17 GRAD(Rho)y 0.1943342E-16 GRAD(Rho)z -0.1101476E-16 Laplacian 0.1117003E+00 (-1/4)Del**2(Rho)) -0.2792508E-01 Diamond 0.1778289E-01 Metallicity 0.1539778E+01 Ellipticity -0.5915885E+01 Gb(Abramov) 0.2578312E-01 Vb(Abramov) -0.2364116E-01 Hb(Abramov) 0.2141958E-02 Ex_ueg -0.6111828E-02 Ec_ueg -0.1212189E-02 Delta_ex -0.7235376E-02 Delta_ec 0.2097079E-02 Delta_et -0.1890119E-01 Pxc 0.5041978E+01 Qxc -0.3450216E+01 3,+1 153 3 +1 2.166417 -1.081279 1.358788 Rho 0.2732219E-01 |GRAD(Rho)| 0.6311327E-16 GRAD(Rho)x 0.5627172E-16 GRAD(Rho)y -0.2841137E-16 GRAD(Rho)z 0.3094010E-17 Laplacian 0.1100589E+00 (-1/4)Del**2(Rho)) -0.2751473E-01 Diamond 0.1635946E-01 Metallicity 0.1551841E+01 Ellipticity -0.3803388E+01 Gb(Abramov) 0.2545956E-01 Vb(Abramov) -0.2340440E-01 Hb(Abramov) 0.2055164E-02 Ex_ueg -0.6077697E-02 Ec_ueg -0.1206329E-02 Delta_ex -0.7018756E-02 Delta_ec 0.1883466E-02 Delta_et -0.1698552E-01 Pxc 0.5038176E+01 Qxc -0.3726511E+01 3,+1 154 3 -1 1.821551 -0.566672 -2.764872 Rho 0.1291054E+00 |GRAD(Rho)| 0.2928546E-13 GRAD(Rho)x -0.7341539E-15 GRAD(Rho)y 0.2822902E-13 GRAD(Rho)z -0.7760275E-14 Laplacian 0.5387225E+00 (-1/4)Del**2(Rho)) -0.1346806E+00 Diamond 0.8993854E+00 Metallicity 0.4218474E+01 Ellipticity 0.2874181E-02 Gb(Abramov) 0.1844782E+00 Vb(Abramov) -0.2342758E+00 Hb(Abramov) -0.4979759E-01 Ex_ueg -0.4819230E-01 Ec_ueg -0.7119700E-02 Delta_ex -0.5563018E-01 Delta_ec 0.1390925E-01 Delta_et -0.1805062E+00 Pxc 0.6768866E+01 Qxc -0.3999508E+01 3,-1 155 3 -1 2.001863 -0.847175 2.986848 Rho 0.1367634E+00 |GRAD(Rho)| 0.1823102E-15 GRAD(Rho)x -0.4275145E-16 GRAD(Rho)y 0.1519103E-15 GRAD(Rho)z 0.9128305E-16 Laplacian 0.5330903E+00 (-1/4)Del**2(Rho)) -0.1332726E+00 Diamond 0.9606169E+00 Metallicity 0.4692765E+01 Ellipticity 0.5266670E-01 Gb(Abramov) 0.1930845E+00 Vb(Abramov) -0.2528965E+00 Hb(Abramov) -0.5981195E-01 Ex_ueg -0.5204091E-01 Ec_ueg -0.7601643E-02 Delta_ex -0.5590122E-01 Delta_ec 0.1371047E-01 Delta_et -0.1798021E+00 Pxc 0.6846008E+01 Qxc -0.4077265E+01 3,-1 156 3 -1 1.720902 -0.520000 1.736895 Rho 0.4333668E-01 |GRAD(Rho)| 0.5034448E-15 GRAD(Rho)x 0.3063019E-15 GRAD(Rho)y 0.2612387E-16 GRAD(Rho)z 0.3986895E-15 Laplacian 0.1835164E+00 (-1/4)Del**2(Rho)) -0.4587909E-01 Diamond 0.7846495E-01 Metallicity 0.2007695E+01 Ellipticity 0.9474203E-02 Gb(Abramov) 0.4593793E-01 Vb(Abramov) -0.4599677E-01 Hb(Abramov) -0.5884047E-04 Ex_ueg -0.1124240E-01 Ec_ueg -0.2050003E-02 Delta_ex -0.1467187E-01 Delta_ec 0.5648253E-02 Delta_et -0.5738290E-01 Pxc 0.5484091E+01 Qxc -0.2597594E+01 3,-1 157 3 -1 1.943236 2.990984 -0.862705 Rho 0.1343420E+00 |GRAD(Rho)| 0.1724493E-15 GRAD(Rho)x -0.1717105E-16 GRAD(Rho)y -0.5739495E-16 GRAD(Rho)z 0.1617088E-15 Laplacian 0.5281069E+00 (-1/4)Del**2(Rho)) -0.1320267E+00 Diamond 0.9432116E+00 Metallicity 0.4598094E+01 Ellipticity 0.3142869E-01 Gb(Abramov) 0.1891964E+00 Vb(Abramov) -0.2463660E+00 Hb(Abramov) -0.5716965E-01 Ex_ueg -0.5081606E-01 Ec_ueg -0.7448845E-02 Delta_ex -0.5527476E-01 Delta_ec 0.1388395E-01 Delta_et -0.1820573E+00 Pxc 0.6822005E+01 Qxc -0.3981198E+01 3,-1 158 3 -1 2.011603 0.825192 -3.003963 Rho 0.1010545E+00 |GRAD(Rho)| 0.6270281E-15 GRAD(Rho)x -0.4760122E-15 GRAD(Rho)y -0.4001350E-15 GRAD(Rho)z 0.8042747E-16 Laplacian 0.3937452E+00 (-1/4)Del**2(Rho)) -0.9843631E-01 Diamond 0.4941954E+00 Metallicity 0.3836988E+01 Ellipticity 0.1741282E-01 Gb(Abramov) 0.1285740E+00 Vb(Abramov) -0.1587117E+00 Hb(Abramov) -0.3013772E-01 Ex_ueg -0.3476368E-01 Ec_ueg -0.5388973E-02 Delta_ex -0.3843591E-01 Delta_ec 0.1090145E-01 Delta_et -0.1356340E+00 Pxc 0.6450893E+01 Qxc -0.3525761E+01 3,-1 159 3 +1 2.159306 1.078746 -1.399799 Rho 0.2899645E-01 |GRAD(Rho)| 0.2156175E-15 GRAD(Rho)x 0.2041671E-15 GRAD(Rho)y 0.1170022E-16 GRAD(Rho)z -0.6833578E-16 Laplacian 0.1180532E+00 (-1/4)Del**2(Rho)) -0.2951331E-01 Diamond 0.1905300E-01 Metallicity 0.1597509E+01 Ellipticity -0.4053879E+01 Gb(Abramov) 0.2753350E-01 Vb(Abramov) -0.2555370E-01 Hb(Abramov) 0.1979805E-02 Ex_ueg -0.6579278E-02 Ec_ueg -0.1291960E-02 Delta_ex -0.7650506E-02 Delta_ec 0.2021381E-02 Delta_et -0.1849165E-01 Pxc 0.5092478E+01 Qxc -0.3784792E+01 3,+1 160 3 -1 1.710100 1.724373 -0.544522 Rho 0.4949610E-01 |GRAD(Rho)| 0.4457180E-15 GRAD(Rho)x 0.3678469E-15 GRAD(Rho)y 0.2289107E-15 GRAD(Rho)z 0.1046568E-15 Laplacian 0.2021723E+00 (-1/4)Del**2(Rho)) -0.5054308E-01 Diamond 0.1000959E+00 Metallicity 0.2274276E+01 Ellipticity 0.1180103E-01 Gb(Abramov) 0.5285353E-01 Vb(Abramov) -0.5516399E-01 Hb(Abramov) -0.2310458E-02 Ex_ueg -0.1342187E-01 Ec_ueg -0.2387039E-02 Delta_ex -0.1655572E-01 Delta_ec 0.5947238E-02 Delta_et -0.6252538E-01 Pxc 0.5622811E+01 Qxc -0.2783766E+01 3,-1 161 3 -1 1.824337 -2.778969 -0.539400 Rho 0.1332405E+00 |GRAD(Rho)| 0.3352223E-13 GRAD(Rho)x -0.2864657E-13 GRAD(Rho)y 0.1712692E-13 GRAD(Rho)z -0.3127625E-14 Laplacian 0.5645581E+00 (-1/4)Del**2(Rho)) -0.1411395E+00 Diamond 0.9956850E+00 Metallicity 0.4242595E+01 Ellipticity 0.1097232E-01 Gb(Abramov) 0.1938927E+00 Vb(Abramov) -0.2466458E+00 Hb(Abramov) -0.5275314E-01 Ex_ueg -0.5026126E-01 Ec_ueg -0.7379459E-02 Delta_ex -0.5894098E-01 Delta_ec 0.1481525E-01 Delta_et -0.1939060E+00 Pxc 0.6810969E+01 Qxc -0.3978399E+01 3,-1 162 3 -1 1.998307 -3.011060 0.886723 Rho 0.1598565E+00 |GRAD(Rho)| 0.1772492E-13 GRAD(Rho)x 0.1409754E-13 GRAD(Rho)y -0.8089476E-14 GRAD(Rho)z -0.7070543E-14 Laplacian 0.6293746E+00 (-1/4)Del**2(Rho)) -0.1573436E+00 Diamond 0.1381294E+01 Metallicity 0.5155307E+01 Ellipticity 0.4938506E-01 Gb(Abramov) 0.2400882E+00 Vb(Abramov) -0.3228328E+00 Hb(Abramov) -0.8274458E-01 Ex_ueg -0.6407552E-01 Ec_ueg -0.9077429E-02 Delta_ex -0.6870080E-01 Delta_ec 0.1579030E-01 Delta_et -0.2121822E+00 Pxc 0.7058774E+01 Qxc -0.4350823E+01 3,-1 163 3 +1 2.902409 -0.186408 0.165075 Rho 0.5255513E-02 |GRAD(Rho)| 0.5842293E-14 GRAD(Rho)x 0.1374592E-14 GRAD(Rho)y -0.5671597E-14 GRAD(Rho)z 0.2754636E-15 Laplacian 0.2174379E-01 (-1/4)Del**2(Rho)) -0.5435949E-02 Diamond 0.4986601E-03 Metallicity 0.5034655E+00 Ellipticity -0.2179382E+01 Gb(Abramov) 0.4080101E-02 Vb(Abramov) -0.2724254E-02 Hb(Abramov) 0.1355847E-02 Ex_ueg -0.6748468E-03 Ec_ueg -0.1579251E-03 Delta_ex -0.1053726E-02 Delta_ec 0.6171385E-03 Delta_et -0.3429251E-02 Pxc 0.4273209E+01 Qxc -0.1707438E+01 3,+1 164 3 -1 2.806457 -0.592273 -1.802776 Rho 0.1516281E+00 |GRAD(Rho)| 0.7574037E-15 GRAD(Rho)x 0.1521949E-16 GRAD(Rho)y 0.6076140E-15 GRAD(Rho)z -0.4519226E-15 Laplacian 0.6409363E+00 (-1/4)Del**2(Rho)) -0.1602341E+00 Diamond 0.1292199E+01 Metallicity 0.4635512E+01 Ellipticity 0.2550666E-01 Gb(Abramov) 0.2306172E+00 Vb(Abramov) -0.3010004E+00 Hb(Abramov) -0.7038315E-01 Ex_ueg -0.5971608E-01 Ec_ueg -0.8547817E-02 Delta_ex -0.6878173E-01 Delta_ec 0.1580451E-01 Delta_et -0.2097336E+00 Pxc 0.6986121E+01 Qxc -0.4352031E+01 3,-1 165 3 +3 2.329030 -0.029633 -0.005245 Rho 0.4653284E-02 |GRAD(Rho)| 0.3053337E-17 GRAD(Rho)x 0.3080971E-18 GRAD(Rho)y 0.1840590E-17 GRAD(Rho)z -0.2416645E-17 Laplacian 0.1893563E-01 (-1/4)Del**2(Rho)) -0.4733907E-02 Diamond 0.1746810E-03 Metallicity 0.4719900E+00 Ellipticity -0.3602464E+00 Gb(Abramov) 0.3528331E-02 Vb(Abramov) -0.2322755E-02 Hb(Abramov) 0.1205576E-02 Ex_ueg -0.5737612E-03 Ec_ueg -0.1320229E-03 Delta_ex -0.6973598E-03 Delta_ec 0.1834663E-03 Delta_et -0.1143198E-02 Pxc 0.4345923E+01 Qxc -0.3801024E+01 3,+3 166 3 -1 2.987379 -0.832843 1.987228 Rho 0.1232026E+00 |GRAD(Rho)| 0.2207149E-15 GRAD(Rho)x -0.1184084E-15 GRAD(Rho)y 0.1810347E-15 GRAD(Rho)z -0.4382887E-16 Laplacian 0.4827902E+00 (-1/4)Del**2(Rho)) -0.1206976E+00 Diamond 0.7675697E+00 Metallicity 0.4353996E+01 Ellipticity 0.3668243E-01 Gb(Abramov) 0.1680511E+00 Vb(Abramov) -0.2154047E+00 Hb(Abramov) -0.4735358E-01 Ex_ueg -0.4527707E-01 Ec_ueg -0.6750876E-02 Delta_ex -0.4936818E-01 Delta_ec 0.1273579E-01 Delta_et -0.1642501E+00 Pxc 0.6706844E+01 Qxc -0.3876334E+01 3,-1 167 3 +1 2.882648 0.158022 -0.187561 Rho 0.5322909E-02 |GRAD(Rho)| 0.7741162E-16 GRAD(Rho)x -0.1034691E-16 GRAD(Rho)y 0.7669340E-16 GRAD(Rho)z 0.1903333E-17 Laplacian 0.2190349E-01 (-1/4)Del**2(Rho)) -0.5475872E-02 Diamond 0.5518598E-03 Metallicity 0.5105226E+00 Ellipticity -0.3354428E+01 Gb(Abramov) 0.4116508E-02 Vb(Abramov) -0.2757143E-02 Hb(Abramov) 0.1359365E-02 Ex_ueg -0.6864103E-03 Ec_ueg -0.1608352E-03 Delta_ex -0.1099089E-02 Delta_ec 0.6839719E-03 Delta_et -0.3787276E-02 Pxc 0.4267785E+01 Qxc -0.1606921E+01 3,+1 168 3 -1 2.762629 0.568819 1.798894 Rho 0.1226465E+00 |GRAD(Rho)| 0.9513002E-13 GRAD(Rho)x 0.6869081E-13 GRAD(Rho)y -0.8878247E-14 GRAD(Rho)z -0.6521097E-13 Laplacian 0.5141908E+00 (-1/4)Del**2(Rho)) -0.1285477E+00 Diamond 0.8085420E+00 Metallicity 0.4057399E+01 Ellipticity 0.2610093E-02 Gb(Abramov) 0.1726267E+00 Vb(Abramov) -0.2167057E+00 Hb(Abramov) -0.4407899E-01 Ex_ueg -0.4500480E-01 Ec_ueg -0.6716252E-02 Delta_ex -0.5246324E-01 Delta_ec 0.1347355E-01 Delta_et -0.1734515E+00 Pxc 0.6700880E+01 Qxc -0.3893795E+01 3,-1 169 3 -1 2.752326 1.807519 0.545742 Rho 0.1498403E+00 |GRAD(Rho)| 0.9338502E-15 GRAD(Rho)x 0.8755339E-15 GRAD(Rho)y 0.3091874E-15 GRAD(Rho)z 0.9959752E-16 Laplacian 0.6276550E+00 (-1/4)Del**2(Rho)) -0.1569138E+00 Diamond 0.1266515E+01 Metallicity 0.4640946E+01 Ellipticity 0.1219175E-01 Gb(Abramov) 0.2259805E+00 Vb(Abramov) -0.2950473E+00 Hb(Abramov) -0.6906678E-01 Ex_ueg -0.5877913E-01 Ec_ueg -0.8433291E-02 Delta_ex -0.6734866E-01 Delta_ec 0.1586156E-01 Delta_et -0.2109615E+00 Pxc 0.6969893E+01 Qxc -0.4246030E+01 3,-1 170 3 -1 2.790422 -1.826911 -0.538690 Rho 0.1217269E+00 |GRAD(Rho)| 0.6364730E-13 GRAD(Rho)x -0.7671069E-14 GRAD(Rho)y -0.4674071E-13 GRAD(Rho)z 0.4251399E-13 Laplacian 0.5122217E+00 (-1/4)Del**2(Rho)) -0.1280554E+00 Diamond 0.8131941E+00 Metallicity 0.4022222E+01 Ellipticity 0.1695298E-01 Gb(Abramov) 0.1712148E+00 Vb(Abramov) -0.2143743E+00 Hb(Abramov) -0.4315941E-01 Ex_ueg -0.4455541E-01 Ec_ueg -0.6659038E-02 Delta_ex -0.5236549E-01 Delta_ec 0.1379839E-01 Delta_et -0.1780116E+00 Pxc 0.6690968E+01 Qxc -0.3795042E+01 3,-1 171 3 -1 3.004177 -1.991147 0.871513 Rho 0.1526483E+00 |GRAD(Rho)| 0.3443472E-14 GRAD(Rho)x -0.1240517E-14 GRAD(Rho)y -0.2017307E-14 GRAD(Rho)z -0.2499818E-14 Laplacian 0.6003203E+00 (-1/4)Del**2(Rho)) -0.1500801E+00 Diamond 0.1248029E+01 Metallicity 0.5004759E+01 Ellipticity 0.4306159E-01 Gb(Abramov) 0.2252392E+00 Vb(Abramov) -0.3003982E+00 Hb(Abramov) -0.7515909E-01 Ex_ueg -0.6025238E-01 Ec_ueg -0.8613255E-02 Delta_ex -0.6480187E-01 Delta_ec 0.1526322E-01 Delta_et -0.2039052E+00 Pxc 0.6995308E+01 Qxc -0.4245622E+01 3,-1 172 3 -1 3.156514 3.208896 0.051522 Rho 0.2542198E+00 |GRAD(Rho)| 0.1363953E-13 GRAD(Rho)x -0.9148932E-14 GRAD(Rho)y -0.9616656E-14 GRAD(Rho)z -0.3139063E-14 Laplacian 0.9266865E+00 (-1/4)Del**2(Rho)) -0.2316716E+00 Diamond 0.3495913E+01 Metallicity 0.7586289E+01 Ellipticity 0.2047245E-02 Gb(Abramov) 0.4473691E+00 Vb(Abramov) -0.6630665E+00 Hb(Abramov) -0.2156974E+00 Ex_ueg -0.1189408E+00 Ec_ueg -0.1542762E-01 Delta_ex -0.1135818E+00 Delta_ec 0.1997306E-01 Delta_et -0.2763801E+00 Pxc 0.7709602E+01 Qxc -0.5686750E+01 3,-1 173 3 -1 3.225328 -0.100763 -3.176514 Rho 0.2441504E+00 |GRAD(Rho)| 0.5017614E-15 GRAD(Rho)x 0.4193152E-15 GRAD(Rho)y -0.6224676E-16 GRAD(Rho)z -0.2684485E-15 Laplacian 0.8692143E+00 (-1/4)Del**2(Rho)) -0.2173036E+00 Diamond 0.3154785E+01 Metallicity 0.7561050E+01 Ellipticity 0.5639672E-03 Gb(Abramov) 0.4187096E+00 Vb(Abramov) -0.6201156E+00 Hb(Abramov) -0.2014060E+00 Ex_ueg -0.1127012E+00 Ec_ueg -0.1472649E-01 Delta_ex -0.1055765E+00 Delta_ec 0.1925733E-01 Delta_et -0.2675851E+00 Pxc 0.7652953E+01 Qxc -0.5482405E+01 3,-1 174 3 -1 3.187148 0.085790 3.194509 Rho 0.2441226E+00 |GRAD(Rho)| 0.6584948E-15 GRAD(Rho)x 0.5431853E-15 GRAD(Rho)y 0.3524741E-15 GRAD(Rho)z 0.1196959E-15 Laplacian 0.8699822E+00 (-1/4)Del**2(Rho)) -0.2174955E+00 Diamond 0.3156552E+01 Metallicity 0.7552941E+01 Ellipticity 0.2274393E-03 Gb(Abramov) 0.4187855E+00 Vb(Abramov) -0.6200755E+00 Hb(Abramov) -0.2012900E+00 Ex_ueg -0.1126840E+00 Ec_ueg -0.1472456E-01 Delta_ex -0.1056636E+00 Delta_ec 0.1926955E-01 Delta_et -0.2677295E+00 Pxc 0.7652793E+01 Qxc -0.5483446E+01 3,-1 175 3 -1 -3.005818 0.845622 2.000818 Rho 0.1375615E+00 |GRAD(Rho)| 0.1492338E-11 GRAD(Rho)x -0.6072645E-12 GRAD(Rho)y 0.1088980E-11 GRAD(Rho)z -0.8200158E-12 Laplacian 0.5444829E+00 (-1/4)Del**2(Rho)) -0.1361207E+00 Diamond 0.9858450E+00 Metallicity 0.4639349E+01 Ellipticity 0.7088442E-01 Gb(Abramov) 0.1959991E+00 Vb(Abramov) -0.2558774E+00 Hb(Abramov) -0.5987834E-01 Ex_ueg -0.5244622E-01 Ec_ueg -0.7652089E-02 Delta_ex -0.5715236E-01 Delta_ec 0.1394008E-01 Delta_et -0.1828856E+00 Pxc 0.6853844E+01 Qxc -0.4099858E+01 3,-1 176 3 -1 -2.981250 -0.883185 -2.008565 Rho 0.1321131E+00 |GRAD(Rho)| 0.3015116E-14 GRAD(Rho)x 0.9955348E-15 GRAD(Rho)y 0.2128899E-14 GRAD(Rho)z -0.1888816E-14 Laplacian 0.5157448E+00 (-1/4)Del**2(Rho)) -0.1289362E+00 Diamond 0.8908647E+00 Metallicity 0.4578831E+01 Ellipticity 0.4431799E-01 Gb(Abramov) 0.1843536E+00 Vb(Abramov) -0.2397711E+00 Hb(Abramov) -0.5541745E-01 Ex_ueg -0.4969501E-01 Ec_ueg -0.7308524E-02 Delta_ex -0.5362240E-01 Delta_ec 0.1336193E-01 Delta_et -0.1742665E+00 Pxc 0.6799596E+01 Qxc -0.4013072E+01 3,-1 177 3 -1 -2.781895 -0.576271 1.822142 Rho 0.1316200E+00 |GRAD(Rho)| 0.3663992E-15 GRAD(Rho)x -0.8898589E-16 GRAD(Rho)y -0.2749130E-15 GRAD(Rho)z -0.2252837E-15 Laplacian 0.5555253E+00 (-1/4)Del**2(Rho)) -0.1388813E+00 Diamond 0.9477630E+00 Metallicity 0.4224537E+01 Ellipticity 0.1539833E-01 Gb(Abramov) 0.1903724E+00 Vb(Abramov) -0.2418635E+00 Hb(Abramov) -0.5149111E-01 Ex_ueg -0.4944787E-01 Ec_ueg -0.7277528E-02 Delta_ex -0.5761704E-01 Delta_ec 0.1424644E-01 Delta_et -0.1853874E+00 Pxc 0.6794597E+01 Qxc -0.4044312E+01 3,-1 178 3 -1 -2.775105 0.507811 -1.805298 Rho 0.1046137E+00 |GRAD(Rho)| 0.1717938E-15 GRAD(Rho)x -0.2007468E-16 GRAD(Rho)y -0.1433688E-15 GRAD(Rho)z -0.9249600E-16 Laplacian 0.4298122E+00 (-1/4)Del**2(Rho)) -0.1074531E+00 Diamond 0.5628510E+00 Metallicity 0.3723765E+01 Ellipticity 0.1269057E-01 Gb(Abramov) 0.1383237E+00 Vb(Abramov) -0.1691943E+00 Hb(Abramov) -0.3087064E-01 Ex_ueg -0.3640576E-01 Ec_ueg -0.5605374E-02 Delta_ex -0.4230422E-01 Delta_ec 0.1181994E-01 Delta_et -0.1480690E+00 Pxc 0.6494795E+01 Qxc -0.3579057E+01 3,-1 179 3 +1 -2.162439 1.005113 1.428485 Rho 0.2833099E-01 |GRAD(Rho)| 0.1203785E-14 GRAD(Rho)x -0.5325848E-15 GRAD(Rho)y -0.6039838E-15 GRAD(Rho)z 0.8947936E-15 Laplacian 0.1152998E+00 (-1/4)Del**2(Rho)) -0.2882496E-01 Diamond 0.1584204E-01 Metallicity 0.1573575E+01 Ellipticity -0.2402092E+01 Gb(Abramov) 0.2677635E-01 Vb(Abramov) -0.2472773E-01 Hb(Abramov) 0.2048615E-02 Ex_ueg -0.6378728E-02 Ec_ueg -0.1257844E-02 Delta_ex -0.7225083E-02 Delta_ec 0.1616333E-02 Delta_et -0.1475292E-01 Pxc 0.5071162E+01 Qxc -0.4470045E+01 3,+1 180 3 -1 1.755852 0.508903 -1.728857 Rho 0.4333066E-01 |GRAD(Rho)| 0.5568832E-16 GRAD(Rho)x -0.4944047E-16 GRAD(Rho)y 0.2448201E-16 GRAD(Rho)z 0.7580310E-17 Laplacian 0.1822985E+00 (-1/4)Del**2(Rho)) -0.4557463E-01 Diamond 0.7780962E-01 Metallicity 0.2020639E+01 Ellipticity 0.2955637E-01 Gb(Abramov) 0.4573140E-01 Vb(Abramov) -0.4588817E-01 Hb(Abramov) -0.1567726E-03 Ex_ueg -0.1124032E-01 Ec_ueg -0.2049677E-02 Delta_ex -0.1456775E-01 Delta_ec 0.5599608E-02 Delta_et -0.5688471E-01 Pxc 0.5483949E+01 Qxc -0.2601566E+01 3,-1 181 3 -1 1.803469 0.571819 2.772686 Rho 0.1362579E+00 |GRAD(Rho)| 0.3362024E-15 GRAD(Rho)x -0.1690542E-15 GRAD(Rho)y 0.2812285E-15 GRAD(Rho)z -0.7323447E-16 Laplacian 0.5765022E+00 (-1/4)Del**2(Rho)) -0.1441255E+00 Diamond 0.1026782E+01 Metallicity 0.4312690E+01 Ellipticity 0.1683013E-01 Gb(Abramov) 0.1996785E+00 Vb(Abramov) -0.2552314E+00 Hb(Abramov) -0.5555294E-01 Ex_ueg -0.5178459E-01 Ec_ueg -0.7569711E-02 Delta_ex -0.6031471E-01 Delta_ec 0.1468970E-01 Delta_et -0.1922308E+00 Pxc 0.6841026E+01 Qxc -0.4105920E+01 3,-1 182 3 -1 2.989268 0.847678 -2.004407 Rho 0.1354839E+00 |GRAD(Rho)| 0.5344995E-12 GRAD(Rho)x -0.2034070E-12 GRAD(Rho)y -0.4119782E-12 GRAD(Rho)z -0.2731104E-12 Laplacian 0.5283687E+00 (-1/4)Del**2(Rho)) -0.1320922E+00 Diamond 0.9400276E+00 Metallicity 0.4661106E+01 Ellipticity 0.5273741E-01 Gb(Abramov) 0.1906774E+00 Vb(Abramov) -0.2492626E+00 Hb(Abramov) -0.5858522E-01 Ex_ueg -0.5139278E-01 Ec_ueg -0.7520855E-02 Delta_ex -0.5526378E-01 Delta_ec 0.1359176E-01 Delta_et -0.1779323E+00 Pxc 0.6833369E+01 Qxc -0.4065976E+01 3,-1 183 3 -1 3.210805 -3.222495 -0.011627 Rho 0.2549612E+00 |GRAD(Rho)| 0.1976152E-13 GRAD(Rho)x 0.5878544E-15 GRAD(Rho)y 0.1757080E-13 GRAD(Rho)z 0.9024357E-14 Laplacian 0.9246558E+00 (-1/4)Del**2(Rho)) -0.2311639E+00 Diamond 0.3505238E+01 Metallicity 0.7639938E+01 Ellipticity 0.1075886E-02 Gb(Abramov) 0.4484557E+00 Vb(Abramov) -0.6657474E+00 Hb(Abramov) -0.2172917E+00 Ex_ueg -0.1194035E+00 Ec_ueg -0.1547946E-01 Delta_ex -0.1134430E+00 Delta_ec 0.1995300E-01 Delta_et -0.2763129E+00 Pxc 0.7713674E+01 Qxc -0.5685515E+01 3,-1 184 3 -1 -2.766470 1.748704 -0.556165 Rho 0.1710777E+00 |GRAD(Rho)| 0.3153732E-14 GRAD(Rho)x -0.1956565E-14 GRAD(Rho)y 0.2471927E-14 GRAD(Rho)z 0.8635670E-16 Laplacian 0.7085802E+00 (-1/4)Del**2(Rho)) -0.1771450E+00 Diamond 0.1661110E+01 Metallicity 0.5127193E+01 Ellipticity 0.1718963E-01 Gb(Abramov) 0.2694728E+00 Vb(Abramov) -0.3618006E+00 Hb(Abramov) -0.9232778E-01 Ex_ueg -0.7014167E-01 Ec_ueg -0.9806174E-02 Delta_ex -0.7844543E-01 Delta_ec 0.1708374E-01 Delta_et -0.2304094E+00 Pxc 0.7152807E+01 Qxc -0.4591818E+01 3,-1 185 3 -1 -2.005396 0.825506 2.994009 Rho 0.1316703E+00 |GRAD(Rho)| 0.1000107E-14 GRAD(Rho)x -0.6638976E-15 GRAD(Rho)y 0.2311112E-15 GRAD(Rho)z 0.7113654E-15 Laplacian 0.5162426E+00 (-1/4)Del**2(Rho)) -0.1290606E+00 Diamond 0.8862083E+00 Metallicity 0.4548894E+01 Ellipticity 0.4421567E-01 Gb(Abramov) 0.1838876E+00 Vb(Abramov) -0.2387146E+00 Hb(Abramov) -0.5482699E-01 Ex_ueg -0.4947308E-01 Ec_ueg -0.7280691E-02 Delta_ex -0.5360772E-01 Delta_ec 0.1334487E-01 Delta_et -0.1738736E+00 Pxc 0.6795108E+01 Qxc -0.4017102E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 126 118 110 147 135 128 117 127 129 80 103 130 115 133 113 145 148 139 112 137 138 106 114 140 151 170 161 171 162 183 160 169 149 150 157 172 89 184 91 72 73 74 66 75 87 71 85 70 93 178 98 176 83 64 101 177 96 175 185 63 156 168 181 166 155 174 180 164 154 182 158 173 142 122 143 123 61 144 125 124 95 60 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 18 21 22 26 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 20 23 24 28 54 2.419195 1.900580 1.941481 1.965644 2.000856 1.710587 2.379205 1.930223 1.912391 1.986974 1.945869 1.721147 2.397082 1.950749 2.112536 1.860940 1.928709 1.710910 2.414293 1.944955 1.938872 1.941235 1.932536 1.720286 2.407977 1.993498 1.957149 1.916925 1.898459 1.721007 2.372208 1.913033 1.932723 1.961526 1.967830 1.722116 2.293888 1.863493 1.827527 1.963452 1.961552 1.856387 2.387093 1.939032 1.934262 1.945222 1.950011 1.721373 2.403548 2.033863 1.929303 1.951054 1.906483 1.709557 2.452784 1.938850 1.973554 1.932828 1.951400 1.708153 2.405659 1.968035 1.924665 1.978463 1.937594 1.710405 2.407652 1.882142 1.948112 1.941107 2.059487 1.710434 1.689735 1.694242 1.692617 1.706346 3.221563 3.263631 3.260440 3.282748 3.273692 0.981373 2.420841 1.901115 1.941960 1.966482 2.001828 1.710599 2.380876 1.930676 1.912754 1.987675 1.946568 1.721150 2.398985 1.951354 2.113080 1.861528 1.929541 1.710925 2.416011 1.945370 1.939276 1.941923 1.933023 1.720292 2.409936 1.993905 1.957543 1.917573 1.899044 1.721015 2.373903 1.913486 1.933095 1.962207 1.968567 1.722120 2.295201 1.864031 1.828130 1.964256 1.962365 1.858098 2.388857 1.939443 1.934711 1.945920 1.950696 1.721376 2.405347 2.034414 1.929868 1.951928 1.907217 1.709568 2.454298 1.939381 1.974130 1.933326 1.952263 1.708164 2.407512 1.968566 1.925176 1.979365 1.938382 1.710415 2.409393 1.882607 1.948609 1.941973 2.060316 1.710446 1.689741 1.694245 1.692620 1.706369 3.231291 3.275714 3.269938 3.292283 3.288029 0.981651 31 27 28 26 28 23 30 27 29 27 27 23 30 26 30 23 25 22 32 27 27 27 27 24 27 26 25 26 25 22 27 26 26 25 25 23 28 24 25 26 27 25 30 27 27 28 27 22 30 24 27 25 26 22 31 25 29 24 26 22 27 25 25 25 25 21 27 25 24 25 25 22 25 25 25 24 35 35 35 35 35 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Mo W Mo W W W W W 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 As H 2.4062 2.5179 2.4044 2.5210 2.4959 2.5042 2.6328 2.5137 2.4162 2.4084 2.4004 2.3981 -1.1286 -1.1435 -1.1388 -1.1369 -0.9129 -0.9053 -0.8961 -0.9176 -0.9183 -0.9137 -0.9004 -0.8897 -0.8829 -0.9152 -0.9454 -0.9474 -0.8998 -0.9002 -0.9025 -0.8942 -0.8762 -0.8609 -0.9012 -0.8920 -0.9378 -0.9305 -0.9026 -0.8991 -0.6440 -0.7221 -0.6416 -0.7208 -0.7213 -0.7241 -0.6782 -0.7229 -0.6398 -0.6381 -0.6425 -0.6420 2.5076 0.3004 1.9188 2.0817 1.9193 2.0770 2.0860 2.0859 2.0653 2.0806 1.9331 1.9324 1.9298 1.9277 1.9391 1.9368 1.9381 1.9351 1.9402 1.9429 1.9437 1.9396 1.9398 1.9399 1.9428 1.9447 1.9497 1.9404 1.9357 1.9355 1.9524 1.9518 1.9536 1.9544 1.9537 1.9581 1.9508 1.9539 1.9506 1.9514 1.9527 1.9536 1.9888 1.9774 1.9887 1.9779 1.9776 1.9772 1.8778 1.9771 1.9891 1.9901 1.9887 1.9892 0.8037 0.6007 6.0530 6.0826 6.0500 6.0811 6.0889 6.0872 6.0837 6.0815 6.0391 6.0438 6.0547 6.0567 5.1501 5.1666 5.1609 5.1616 4.9446 4.9336 4.9226 4.9497 4.9503 4.9454 4.9318 4.9182 4.9021 4.9465 4.9794 4.9815 4.9162 4.9176 4.9182 4.9092 4.8938 4.8726 4.9195 4.9067 4.9543 4.9459 4.9183 4.9148 4.6182 4.7056 4.6157 4.7037 4.7046 4.7080 4.7684 4.7068 4.6134 4.6105 4.6167 4.6158 1.1391 0.0988 3.6220 3.2890 3.6263 3.2922 3.3006 3.2939 3.1875 3.2955 3.6117 3.6153 3.6151 3.6175 0.0393 0.0400 0.0398 0.0401 0.0281 0.0288 0.0298 0.0283 0.0282 0.0284 0.0258 0.0268 0.0311 0.0284 0.0304 0.0304 0.0312 0.0308 0.0307 0.0307 0.0287 0.0301 0.0309 0.0314 0.0330 0.0332 0.0315 0.0308 0.0371 0.0390 0.0371 0.0392 0.0392 0.0389 0.0320 0.0390 0.0372 0.0375 0.0371 0.0371 10.5495 0.0000 0.0000 14.0288 0.0000 14.0288 14.0287 14.0288 14.0308 14.0287 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 Mo W Mo W W W W W 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 As H 3.182755 2.523407 3.175044 2.523068 2.521905 2.522478 2.567099 2.522890 3.181833 3.182597 3.185032 3.179096 -1.174509 -1.139380 -1.177656 -1.126504 -1.044429 -1.055315 -1.006676 -1.041720 -1.048991 -1.050656 -1.165252 -1.157955 -0.965273 -1.045721 -0.933192 -0.932995 -0.999064 -1.006663 -1.010320 -1.001958 -1.115150 -1.101973 -1.010160 -1.012928 -0.898706 -0.893981 -0.993065 -1.012542 -0.906840 -0.742561 -0.903882 -0.740032 -0.740383 -0.744175 -0.502001 -0.743284 -0.903043 -0.901259 -0.906620 -0.905895 2.327101 0.168407 2.386603 1.960873 2.384730 1.960122 1.969431 1.963104 1.870207 1.963871 2.385118 2.384899 2.382176 2.381025 -0.881442 -0.830242 -0.882463 -0.805058 -0.794920 -0.806663 -0.768364 -0.799149 -0.798510 -0.799903 -0.901005 -0.902947 -0.743966 -0.795137 -0.693706 -0.697386 -0.806081 -0.807274 -0.810391 -0.779882 -0.893599 -0.888124 -0.807838 -0.810388 -0.722834 -0.697370 -0.808722 -0.812412 -0.651491 -0.613825 -0.644305 -0.611857 -0.605566 -0.612609 -0.630384 -0.614992 -0.649050 -0.648107 -0.654211 -0.649766 1.687588 0.452188 2.464011 2.052256 2.455344 2.050782 2.059045 2.056367 2.092371 2.059860 2.460461 2.457271 2.459081 2.453041 -0.896996 -0.857307 -0.892813 -0.840843 -0.878012 -0.879962 -0.862321 -0.875956 -0.873434 -0.878066 -0.986167 -0.974766 -0.838688 -0.874565 -0.775527 -0.781600 -0.842089 -0.841362 -0.855713 -0.830289 -0.931682 -0.913638 -0.841935 -0.837964 -0.761629 -0.751618 -0.847387 -0.851696 -0.609785 -0.579551 -0.606927 -0.577154 -0.568874 -0.574268 -0.625670 -0.580045 -0.612424 -0.609802 -0.613243 -0.607789 1.669082 0.450582 -6.94066907 7.91275906 -2.21595976 10.75616664 4.50280742 -33.68153731 8.18862311 6.47175930 -17.92517954 -10.97456672 -384.6909 411.4649 -113.7350 -356.6010 -5.0782 -448.6401 Jun06-2024 09:35:59 Nodes: 1 Procs: 1 Jun06-2024 09:36:02 Nodes: 1 Procs: 1 0 Jun06-2024 09:36:06 Nodes: 1 Procs: 1 Jun06-2024 09:36:08 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun06-2024 09:36:12 Nodes: 1 Procs: 1 Jun06-2024 09:36:14 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun06-2024 09:36:18 Nodes: 1 Procs: 1 Jun06-2024 09:36:20 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun06-2024 09:36:22 Nodes: 1 Procs: 1 Jun06-2024 09:36:25 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun06-2024 09:36:30 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 Jun11-2024 04:40:50 Nodes: 1 Procs: 1 Jun11-2024 04:40:52 Nodes: 1 Procs: 1 Hydrogen (TZP) 0 Jun11-2024 04:40:55 Nodes: 1 Procs: 1 Jun11-2024 04:40:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:41:00 Nodes: 1 Procs: 1 Jun11-2024 04:41:02 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 04:41:05 Nodes: 1 Procs: 1 Jun11-2024 04:41:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun11-2024 04:41:09 Nodes: 1 Procs: 1 Jun11-2024 04:41:11 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun11-2024 04:41:17 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 -15.89124987 -16.32748877 -16.37328062 -16.46449561 -16.48105005 -16.48384215 -16.48516538 -16.48624813 -16.48633914 -16.48646753 -16.48650196 -16.48657210 -16.48659826 -16.48664552 -16.48667298 -16.48671953 -16.48675124 -16.48678972 -16.48689280 -16.48692146 -16.48696596 -16.48697799 -16.48699668 -16.48704675 -16.48708574 -16.48710313 -16.48713234 -16.48712648 -16.48715677 -16.48718891 -16.48720561 -16.48720948 -16.48722094 GEOMETRY CONVERGED