ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr19-2024 20:43:24 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.02 0.75 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 Apr19-2024 20:43:24 Nodes: 1 Procs: 1 Apr19-2024 20:43:25 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr19-2024 20:43:26 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.56 0.02 0.61 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Apr19-2024 20:43:24 Nodes: 1 Procs: 1 Apr19-2024 20:43:25 Nodes: 1 Procs: 1 0 Apr19-2024 20:43:26 Nodes: 1 Procs: 1 Apr19-2024 20:43:26 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr19-2024 20:43:27 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.02 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 Apr19-2024 20:43:24 Nodes: 1 Procs: 1 Apr19-2024 20:43:25 Nodes: 1 Procs: 1 0 Apr19-2024 20:43:26 Nodes: 1 Procs: 1 Apr19-2024 20:43:26 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr19-2024 20:43:27 Nodes: 1 Procs: 1 Apr19-2024 20:43:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr19-2024 20:43:27 Molybdenum (TZP, 3d frozen) kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.20 0.02 1.27 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 Apr19-2024 20:43:24 Nodes: 1 Procs: 1 Apr19-2024 20:43:25 Nodes: 1 Procs: 1 0 Apr19-2024 20:43:26 Nodes: 1 Procs: 1 Apr19-2024 20:43:26 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr19-2024 20:43:27 Nodes: 1 Procs: 1 Apr19-2024 20:43:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr19-2024 20:43:27 Nodes: 1 Procs: 1 Apr19-2024 20:43:28 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr19-2024 20:43:30 Molybdenum (TZP, 3d frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2586.4021000000043 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-0.079562 -1.322778 Rho 0.3186856E+03 3,-3 16 3 -3 -0.953304 1.345146 -0.001809 Rho 0.3186701E+03 3,-3 17 3 -3 -3.017280 0.079745 1.587339 Rho 0.3190327E+03 3,-3 18 3 -3 3.026100 -1.569220 0.011877 Rho 0.3188183E+03 3,-3 19 3 -3 -3.009919 0.085378 -1.592690 Rho 0.3190307E+03 3,-3 20 3 -3 3.043957 1.695199 -0.001265 Rho 0.3188463E+03 3,-3 21 3 -3 1.337073 -3.110430 -1.513070 Rho 0.3193211E+03 3,-3 22 3 -3 1.134397 2.916076 1.312126 Rho 0.3188726E+03 3,-3 23 3 -3 -1.133293 -1.293249 -2.899380 Rho 0.3189206E+03 3,-3 24 3 -3 -1.126174 1.356406 2.924437 Rho 0.3188622E+03 3,-3 25 3 -3 -1.122030 1.364683 -2.931438 Rho 0.3189315E+03 3,-3 26 3 -3 -1.119159 -1.297337 2.891445 Rho 0.3188355E+03 3,-3 27 3 -3 1.130346 2.916899 -1.303762 Rho 0.3188732E+03 3,-3 28 3 -3 1.362643 -3.134356 1.523598 Rho 0.3193155E+03 3,-3 29 3 -3 3.447954 0.101100 2.154973 Rho 0.3190193E+03 3,-3 30 3 -3 -3.471277 -2.213154 0.002975 Rho 0.3188997E+03 3,-3 31 3 -3 3.446265 0.103863 -2.153070 Rho 0.3190225E+03 3,-3 32 3 -3 -3.432660 2.265365 -0.003539 Rho 0.3189225E+03 3,-3 33 3 -3 1.501315 1.397583 3.479107 Rho 0.3189229E+03 3,-3 34 3 -3 1.560466 -1.289250 -3.525977 Rho 0.3189993E+03 3,-3 35 3 -3 -1.490293 3.523069 1.356223 Rho 0.3189438E+03 3,-3 36 3 -3 -1.799808 -3.684213 -1.689157 Rho 0.3192425E+03 3,-3 37 3 -3 -1.785774 -3.692250 1.671806 Rho 0.3192417E+03 3,-3 38 3 -3 -1.487049 3.529149 -1.347832 Rho 0.3189431E+03 3,-3 39 3 -3 1.557032 -1.292825 3.530040 Rho 0.3189197E+03 3,-3 40 3 -3 1.500246 1.401280 -3.486701 Rho 0.3189846E+03 3,-3 41 3 -3 -0.217473 0.013952 5.240735 Rho 0.3192513E+03 3,-3 42 3 -3 3.863332 -2.651851 -2.502851 Rho 0.3191928E+03 3,-3 43 3 -3 -0.223133 0.003682 -5.259744 Rho 0.3193830E+03 3,-3 44 3 -3 0.250547 5.288925 0.009763 Rho 0.3192256E+03 3,-3 45 3 -3 3.878453 -2.658470 2.527360 Rho 0.3191935E+03 3,-3 46 3 -3 3.711970 2.868576 -2.514650 Rho 0.3192383E+03 3,-3 47 3 -3 -3.722210 2.524304 -2.805647 Rho 0.3192190E+03 3,-3 48 3 -3 -3.813644 -2.251961 2.776772 Rho 0.3191913E+03 3,-3 49 3 -3 -3.833392 -2.235593 -2.770059 Rho 0.3191929E+03 3,-3 50 3 -3 -3.737684 2.514807 2.795390 Rho 0.3192195E+03 3,-3 51 3 -3 3.730932 2.866300 2.503202 Rho 0.3192380E+03 3,-3 52 3 +3 1.111521 1.476525 0.005997 Rho 0.4495530E-02 |GRAD(Rho)| 0.6971595E-16 GRAD(Rho)x 0.8188023E-17 GRAD(Rho)y 0.6146140E-16 GRAD(Rho)z 0.3187110E-16 Laplacian 0.1778922E-01 (-1/4)Del**2(Rho)) -0.4447306E-02 Diamond 0.1124159E-03 Metallicity 0.4743414E+00 Ellipticity -0.7579655E-01 Gb(Abramov) 0.3316461E-02 Vb(Abramov) -0.2185616E-02 Hb(Abramov) 0.1130845E-02 Ex_ueg -0.5479736E-03 Ec_ueg -0.1252684E-03 Delta_ex -0.6021512E-03 Delta_ec 0.8794088E-04 Delta_et -0.6554573E-03 Pxc 0.4374395E+01 Qxc -0.6847227E+01 3,+3 53 3 +1 -0.255759 -2.574390 -1.904820 Rho 0.3545196E-02 |GRAD(Rho)| 0.1046946E-15 GRAD(Rho)x -0.1007210E-15 GRAD(Rho)y -0.2821654E-16 GRAD(Rho)z -0.4479530E-17 Laplacian 0.1398442E-01 (-1/4)Del**2(Rho)) -0.3496106E-02 Diamond 0.1691643E-03 Metallicity 0.4061648E+00 Ellipticity -0.1525685E+01 Gb(Abramov) 0.2567403E-02 Vb(Abramov) -0.1638700E-02 Hb(Abramov) 0.9287028E-03 Ex_ueg -0.3992443E-03 Ec_ueg -0.8485411E-04 Delta_ex -0.5984126E-03 Delta_ec 0.3450426E-03 Delta_et -0.1728866E-02 Pxc 0.4705067E+01 Qxc -0.1734315E+01 3,+1 54 3 -1 -2.733708 -0.936732 1.619909 Rho 0.7023622E-01 |GRAD(Rho)| 0.1944360E-14 GRAD(Rho)x -0.1255765E-14 GRAD(Rho)y 0.1122542E-14 GRAD(Rho)z 0.9713340E-15 Laplacian 0.2918571E+00 (-1/4)Del**2(Rho)) -0.7296428E-01 Diamond 0.2362497E+00 Metallicity 0.2823003E+01 Ellipticity 0.5514289E-02 Gb(Abramov) 0.8297259E-01 Vb(Abramov) -0.9298090E-01 Hb(Abramov) -0.1000831E-01 Ex_ueg -0.2140260E-01 Ec_ueg -0.3560741E-02 Delta_ex -0.2623581E-01 Delta_ec 0.8742438E-02 Delta_et -0.1005261E+00 Pxc 0.6010716E+01 Qxc -0.3000971E+01 3,-1 55 3 -1 -2.105659 -2.934437 -1.674969 Rho 0.2299105E+00 |GRAD(Rho)| 0.3064177E-15 GRAD(Rho)x 0.7995991E-16 GRAD(Rho)y -0.2937104E-15 GRAD(Rho)z 0.3510613E-16 Laplacian 0.8827674E+00 (-1/4)Del**2(Rho)) -0.2206918E+00 Diamond 0.2934196E+01 Metallicity 0.6735425E+01 Ellipticity 0.1060577E-01 Gb(Abramov) 0.3948701E+00 Vb(Abramov) -0.5690484E+00 Hb(Abramov) -0.1741783E+00 Ex_ueg -0.1040232E+00 Ec_ueg -0.1374445E-01 Delta_ex -0.1052967E+00 Delta_ec 0.1944016E-01 Delta_et -0.2675323E+00 Pxc 0.7568381E+01 Qxc -0.5416453E+01 3,-1 56 3 +1 -1.734869 0.019297 -2.441621 Rho 0.1144022E-01 |GRAD(Rho)| 0.4484407E-16 GRAD(Rho)x 0.1556362E-16 GRAD(Rho)y 0.4014408E-16 GRAD(Rho)z -0.1253862E-16 Laplacian 0.5573446E-01 (-1/4)Del**2(Rho)) -0.1393362E-01 Diamond 0.2119712E-02 Metallicity 0.7181468E+00 Ellipticity -0.1287071E+01 Gb(Abramov) 0.1095681E-01 Vb(Abramov) -0.7979999E-02 Hb(Abramov) 0.2976808E-02 Ex_ueg -0.1903842E-02 Ec_ueg -0.4337896E-03 Delta_ex -0.2713975E-02 Delta_ec 0.7388268E-03 Delta_et -0.5463348E-02 Pxc 0.4388860E+01 Qxc -0.3673358E+01 3,+1 57 3 +3 -1.114751 0.007801 -1.561791 Rho 0.5145516E-02 |GRAD(Rho)| 0.5325286E-17 GRAD(Rho)x -0.4202366E-17 GRAD(Rho)y -0.1030577E-17 GRAD(Rho)z 0.3104304E-17 Laplacian 0.2030636E-01 (-1/4)Del**2(Rho)) -0.5076591E-02 Diamond 0.1451501E-03 Metallicity 0.5204302E+00 Ellipticity -0.2554785E+00 Gb(Abramov) 0.3824729E-02 Vb(Abramov) -0.2572868E-02 Hb(Abramov) 0.1251862E-02 Ex_ueg -0.6560802E-03 Ec_ueg -0.1531803E-03 Delta_ex -0.7050937E-03 Delta_ec 0.8571530E-04 Delta_et -0.6926695E-03 Pxc 0.4283059E+01 Qxc -0.8225995E+01 3,+3 58 3 +1 -1.722227 0.027834 -0.708775 Rho 0.9770839E-02 |GRAD(Rho)| 0.4585449E-14 GRAD(Rho)x 0.3244794E-14 GRAD(Rho)y -0.1214995E-14 GRAD(Rho)z 0.3003571E-14 Laplacian 0.3963154E-01 (-1/4)Del**2(Rho)) -0.9907884E-02 Diamond 0.1230445E-02 Metallicity 0.7764713E+00 Ellipticity -0.1426986E+01 Gb(Abramov) 0.7887454E-02 Vb(Abramov) -0.5867024E-02 Hb(Abramov) 0.2020430E-02 Ex_ueg -0.1542745E-02 Ec_ueg -0.3576666E-03 Delta_ex -0.1858217E-02 Delta_ec 0.5360571E-03 Delta_et -0.3802449E-02 Pxc 0.4313362E+01 Qxc -0.3466453E+01 3,+1 59 3 +1 -1.725540 0.027314 0.705727 Rho 0.9731196E-02 |GRAD(Rho)| 0.1226902E-14 GRAD(Rho)x 0.9114898E-15 GRAD(Rho)y 0.5600988E-16 GRAD(Rho)z -0.8193519E-15 Laplacian 0.3935026E-01 (-1/4)Del**2(Rho)) -0.9837565E-02 Diamond 0.1213800E-02 Metallicity 0.7767404E+00 Ellipticity -0.1427691E+01 Gb(Abramov) 0.7831916E-02 Vb(Abramov) -0.5826267E-02 Hb(Abramov) 0.2005649E-02 Ex_ueg -0.1534405E-02 Ec_ueg -0.3558730E-03 Delta_ex -0.1842659E-02 Delta_ec 0.5314714E-03 Delta_et -0.3766692E-02 Pxc 0.4311665E+01 Qxc -0.3467090E+01 3,+1 60 3 +3 -1.134532 0.004879 1.546463 Rho 0.5230989E-02 |GRAD(Rho)| 0.3078696E-12 GRAD(Rho)x 0.1824219E-12 GRAD(Rho)y 0.5380047E-13 GRAD(Rho)z 0.2420981E-12 Laplacian 0.2078826E-01 (-1/4)Del**2(Rho)) -0.5197066E-02 Diamond 0.1512428E-03 Metallicity 0.5225179E+00 Ellipticity -0.2508100E+00 Gb(Abramov) 0.3917304E-02 Vb(Abramov) -0.2637542E-02 Hb(Abramov) 0.1279762E-02 Ex_ueg -0.6706513E-03 Ec_ueg -0.1568667E-03 Delta_ex -0.7245000E-03 Delta_ec 0.8658230E-04 Delta_et -0.7050821E-03 Pxc 0.4275294E+01 Qxc -0.8367761E+01 3,+3 61 3 +1 -1.742080 0.010407 2.427060 Rho 0.1147895E-01 |GRAD(Rho)| 0.2054931E-16 GRAD(Rho)x 0.1308537E-16 GRAD(Rho)y 0.7906633E-17 GRAD(Rho)z 0.1373071E-16 Laplacian 0.5584600E-01 (-1/4)Del**2(Rho)) -0.1396150E-01 Diamond 0.2130487E-02 Metallicity 0.7207615E+00 Ellipticity -0.1288370E+01 Gb(Abramov) 0.1098482E-01 Vb(Abramov) -0.8008137E-02 Hb(Abramov) 0.2976682E-02 Ex_ueg -0.1912441E-02 Ec_ueg -0.4355694E-03 Delta_ex -0.2720796E-02 Delta_ec 0.7384849E-03 Delta_et -0.5466788E-02 Pxc 0.4390669E+01 Qxc -0.3684295E+01 3,+1 62 3 -1 -1.713459 1.568992 -0.830805 Rho 0.5155579E-01 |GRAD(Rho)| 0.6776981E-12 GRAD(Rho)x 0.4547765E-12 GRAD(Rho)y -0.1479323E-12 GRAD(Rho)z 0.4801760E-12 Laplacian 0.1951370E+00 (-1/4)Del**2(Rho)) -0.4878424E-01 Diamond 0.1002979E+00 Metallicity 0.2521948E+01 Ellipticity 0.1701643E-01 Gb(Abramov) 0.5302805E-01 Vb(Abramov) -0.5727185E-01 Hb(Abramov) -0.4243803E-02 Ex_ueg -0.1417169E-01 Ec_ueg -0.2501051E-02 Delta_ex -0.1606966E-01 Delta_ec 0.5603912E-02 Delta_et -0.5950058E-01 Pxc 0.5666294E+01 Qxc -0.2867578E+01 3,-1 63 3 -1 -1.722003 1.566173 0.822479 Rho 0.5119178E-01 |GRAD(Rho)| 0.1473446E-15 GRAD(Rho)x 0.5186425E-16 GRAD(Rho)y -0.4504669E-16 GRAD(Rho)z -0.1303507E-15 Laplacian 0.1935085E+00 (-1/4)Del**2(Rho)) -0.4837712E-01 Diamond 0.9845989E-01 Metallicity 0.2513315E+01 Ellipticity 0.1594930E-01 Gb(Abramov) 0.5251590E-01 Vb(Abramov) -0.5665468E-01 Hb(Abramov) -0.4138780E-02 Ex_ueg -0.1403843E-01 Ec_ueg -0.2480856E-02 Delta_ex -0.1590492E-01 Delta_ec 0.5553949E-02 Delta_et -0.5886163E-01 Pxc 0.5658705E+01 Qxc -0.2863713E+01 3,-1 64 3 +1 -1.262466 2.380700 -0.703187 Rho 0.2794556E-01 |GRAD(Rho)| 0.4450505E-16 GRAD(Rho)x 0.3022104E-17 GRAD(Rho)y 0.4384856E-16 GRAD(Rho)z 0.6990682E-17 Laplacian 0.1072405E+00 (-1/4)Del**2(Rho)) -0.2681013E-01 Diamond 0.1570369E-01 Metallicity 0.1653645E+01 Ellipticity -0.3853691E+01 Gb(Abramov) 0.2526249E-01 Vb(Abramov) -0.2371485E-01 Hb(Abramov) 0.1547638E-02 Ex_ueg -0.6263283E-02 Ec_ueg -0.1238132E-02 Delta_ex -0.6811292E-02 Delta_ec 0.1711556E-02 Delta_et -0.1553761E-01 Pxc 0.5058656E+01 Qxc -0.3979591E+01 3,+1 65 3 -1 0.010455 2.089571 2.081709 Rho 0.6285961E-02 |GRAD(Rho)| 0.6138527E-17 GRAD(Rho)x 0.4477355E-17 GRAD(Rho)y -0.7536613E-18 GRAD(Rho)z -0.4131198E-17 Laplacian 0.2546215E-01 (-1/4)Del**2(Rho)) -0.6365537E-02 Diamond 0.9366011E-03 Metallicity 0.5794344E+00 Ellipticity 0.1931999E+01 Gb(Abramov) 0.4858427E-02 Vb(Abramov) -0.3351316E-02 Hb(Abramov) 0.1507111E-02 Ex_ueg -0.8568023E-03 Ec_ueg -0.2026659E-03 Delta_ex -0.1412203E-02 Delta_ec 0.9590496E-03 Delta_et -0.5516601E-02 Pxc 0.4227659E+01 Qxc -0.1472502E+01 3,-1 66 3 -1 -1.970644 2.721804 -1.501448 Rho 0.1182813E+00 |GRAD(Rho)| 0.1825251E-12 GRAD(Rho)x 0.9458295E-13 GRAD(Rho)y 0.1519881E-12 GRAD(Rho)z 0.3562439E-13 Laplacian 0.4711852E+00 (-1/4)Del**2(Rho)) -0.1177963E+00 Diamond 0.7159134E+00 Metallicity 0.4168196E+01 Ellipticity 0.2333241E-01 Gb(Abramov) 0.1603639E+00 Vb(Abramov) -0.2029315E+00 Hb(Abramov) -0.4256758E-01 Ex_ueg -0.4288180E-01 Ec_ueg -0.6445197E-02 Delta_ex -0.4775000E-01 Delta_ec 0.1261333E-01 Delta_et -0.1616404E+00 Pxc 0.6653296E+01 Qxc -0.3785677E+01 3,-1 67 3 -1 1.718126 0.797675 -1.580506 Rho 0.4063384E-01 |GRAD(Rho)| 0.2628171E-14 GRAD(Rho)x 0.2461409E-14 GRAD(Rho)y -0.2067311E-15 GRAD(Rho)z -0.8977805E-15 Laplacian 0.1501452E+00 (-1/4)Del**2(Rho)) -0.3753630E-01 Diamond 0.5504580E-01 Metallicity 0.2204186E+01 Ellipticity 0.3192736E-01 Gb(Abramov) 0.3881370E-01 Vb(Abramov) -0.4009109E-01 Hb(Abramov) -0.1277397E-02 Ex_ueg -0.1031737E-01 Ec_ueg -0.1904096E-02 Delta_ex -0.1160021E-01 Delta_ec 0.4240428E-02 Delta_et -0.4229126E-01 Pxc 0.5418512E+01 Qxc -0.2735622E+01 3,-1 68 3 +1 -0.565285 -0.837812 -1.508978 Rho 0.9400680E-02 |GRAD(Rho)| 0.1497520E-14 GRAD(Rho)x 0.1254286E-14 GRAD(Rho)y 0.8027074E-15 GRAD(Rho)z 0.1580859E-15 Laplacian 0.3796583E-01 (-1/4)Del**2(Rho)) -0.9491457E-02 Diamond 0.1138210E-02 Metallicity 0.7600096E+00 Ellipticity -0.1435988E+01 Gb(Abramov) 0.7529904E-02 Vb(Abramov) -0.5568352E-02 Hb(Abramov) 0.1961553E-02 Ex_ueg -0.1465314E-02 Ec_ueg -0.3409456E-03 Delta_ex -0.1770537E-02 Delta_ec 0.5278483E-03 Delta_et -0.3696143E-02 Pxc 0.4297795E+01 Qxc -0.3354253E+01 3,+1 69 3 -1 -0.500608 -0.595290 -0.001434 Rho 0.1408647E+00 |GRAD(Rho)| 0.1307513E-15 GRAD(Rho)x -0.1184284E-15 GRAD(Rho)y -0.5539302E-16 GRAD(Rho)z 0.1496632E-17 Laplacian 0.7475229E+00 (-1/4)Del**2(Rho)) -0.1868807E+00 Diamond 0.1685342E+01 Metallicity 0.3515541E+01 Ellipticity 0.3457280E-01 Gb(Abramov) 0.2340850E+00 Vb(Abramov) -0.2812892E+00 Hb(Abramov) -0.4720423E-01 Ex_ueg -0.5413206E-01 Ec_ueg -0.7861311E-02 Delta_ex -0.8209116E-01 Delta_ec 0.2468892E-01 Delta_et -0.3371028E+00 Pxc 0.6885882E+01 Qxc -0.3325020E+01 3,-1 70 3 +1 -0.575770 -0.847234 1.493891 Rho 0.9728076E-02 |GRAD(Rho)| 0.2408927E-14 GRAD(Rho)x 0.2015760E-14 GRAD(Rho)y 0.1290311E-14 GRAD(Rho)z -0.2733861E-15 Laplacian 0.3973622E-01 (-1/4)Del**2(Rho)) -0.9934055E-02 Diamond 0.1228410E-02 Metallicity 0.7687850E+00 Ellipticity -0.1419896E+01 Gb(Abramov) 0.7895562E-02 Vb(Abramov) -0.5857069E-02 Hb(Abramov) 0.2038493E-02 Ex_ueg -0.1533749E-02 Ec_ueg -0.3557318E-03 Delta_ex -0.1861818E-02 Delta_ec 0.5388970E-03 Delta_et -0.3817214E-02 Pxc 0.4311532E+01 Qxc -0.3454868E+01 3,+1 71 3 -1 1.717810 0.798224 1.584802 Rho 0.3899933E-01 |GRAD(Rho)| 0.7187133E-16 GRAD(Rho)x -0.2466751E-16 GRAD(Rho)y -0.6747337E-16 GRAD(Rho)z -0.2084760E-17 Laplacian 0.1433030E+00 (-1/4)Del**2(Rho)) -0.3582574E-01 Diamond 0.4939310E-01 Metallicity 0.2156684E+01 Ellipticity 0.2935484E-01 Gb(Abramov) 0.3676130E-01 Vb(Abramov) -0.3769685E-01 Hb(Abramov) -0.9355538E-03 Ex_ueg -0.9767751E-02 Ec_ueg -0.1816493E-02 Delta_ex -0.1094093E-01 Delta_ec 0.4017302E-02 Delta_et -0.3962736E-01 Pxc 0.5377259E+01 Qxc -0.2723453E+01 3,-1 72 3 -1 -0.538245 -0.676886 3.170979 Rho 0.1490918E+00 |GRAD(Rho)| 0.1659741E-15 GRAD(Rho)x -0.1214849E-15 GRAD(Rho)y -0.9793056E-16 GRAD(Rho)z -0.5655470E-16 Laplacian 0.6333261E+00 (-1/4)Del**2(Rho)) -0.1583315E+00 Diamond 0.1272460E+01 Metallicity 0.4561162E+01 Ellipticity 0.1956450E-01 Gb(Abramov) 0.2259170E+00 Vb(Abramov) -0.2935024E+00 Hb(Abramov) -0.6758545E-01 Ex_ueg -0.5838799E-01 Ec_ueg -0.8385403E-02 Delta_ex -0.6789529E-01 Delta_ec 0.1606363E-01 Delta_et -0.2135898E+00 Pxc 0.6963051E+01 Qxc -0.4226646E+01 3,-1 73 3 +1 1.650721 -2.803974 0.006438 Rho 0.7127703E-02 |GRAD(Rho)| 0.1651854E-16 GRAD(Rho)x 0.7086111E-17 GRAD(Rho)y 0.5617057E-18 GRAD(Rho)z 0.1491086E-16 Laplacian 0.3165540E-01 (-1/4)Del**2(Rho)) -0.7913850E-02 Diamond 0.1054068E-02 Metallicity 0.5746649E+00 Ellipticity -0.2039063E+01 Gb(Abramov) 0.6033869E-02 Vb(Abramov) -0.4153887E-02 Hb(Abramov) 0.1879981E-02 Ex_ueg -0.1013097E-02 Ec_ueg -0.2395951E-03 Delta_ex -0.1609917E-02 Delta_ec 0.8566946E-03 Delta_et -0.5226728E-02 Pxc 0.4228372E+01 Qxc -0.1879219E+01 3,+1 74 3 +3 0.027515 1.577726 1.602414 Rho 0.4932649E-02 |GRAD(Rho)| 0.8120987E-12 GRAD(Rho)x 0.6925519E-13 GRAD(Rho)y 0.6504696E-12 GRAD(Rho)z -0.4812456E-12 Laplacian 0.2053861E-01 (-1/4)Del**2(Rho)) -0.5134652E-02 Diamond 0.1770940E-03 Metallicity 0.4795595E+00 Ellipticity -0.2707667E+00 Gb(Abramov) 0.3833496E-02 Vb(Abramov) -0.2532341E-02 Hb(Abramov) 0.1301155E-02 Ex_ueg -0.6201432E-03 Ec_ueg -0.1440156E-03 Delta_ex -0.7412563E-03 Delta_ec 0.1517627E-03 Delta_et -0.1021265E-02 Pxc 0.4306085E+01 Qxc -0.4884312E+01 3,+3 75 3 +3 -0.212520 -2.305803 1.413760 Rho 0.3099406E-02 |GRAD(Rho)| 0.1055795E-12 GRAD(Rho)x -0.8726897E-13 GRAD(Rho)y 0.3717085E-13 GRAD(Rho)z 0.4636255E-13 Laplacian 0.1234969E-01 (-1/4)Del**2(Rho)) -0.3087424E-02 Diamond 0.9832481E-04 Metallicity 0.3676385E+00 Ellipticity -0.7080994E+00 Gb(Abramov) 0.2247458E-02 Vb(Abramov) -0.1407493E-02 Hb(Abramov) 0.8399652E-03 Ex_ueg -0.3337513E-03 Ec_ueg -0.6606239E-04 Delta_ex -0.4682624E-03 Delta_ec 0.2218998E-03 Delta_et -0.1112440E-02 Pxc 0.5052063E+01 Qxc -0.2110243E+01 3,+3 76 3 +1 -0.235141 -2.589481 1.904996 Rho 0.3482675E-02 |GRAD(Rho)| 0.7679319E-13 GRAD(Rho)x -0.5674139E-13 GRAD(Rho)y 0.5166124E-13 GRAD(Rho)z 0.2953715E-14 Laplacian 0.1378186E-01 (-1/4)Del**2(Rho)) -0.3445466E-02 Diamond 0.1647639E-03 Metallicity 0.4000923E+00 Ellipticity -0.1532332E+01 Gb(Abramov) 0.2526728E-02 Vb(Abramov) -0.1607990E-02 Hb(Abramov) 0.9187380E-03 Ex_ueg -0.3898842E-03 Ec_ueg -0.8221215E-04 Delta_ex -0.5906506E-03 Delta_ec 0.3453805E-03 Delta_et -0.1718682E-02 Pxc 0.4742417E+01 Qxc -0.1710144E+01 3,+1 77 3 +1 -0.287953 -2.527730 -1.212418 Rho 0.3258289E-02 |GRAD(Rho)| 0.3996900E-15 GRAD(Rho)x -0.2504371E-15 GRAD(Rho)y 0.2612353E-15 GRAD(Rho)z 0.1696748E-15 Laplacian 0.1292264E-01 (-1/4)Del**2(Rho)) -0.3230660E-02 Diamond 0.1245372E-03 Metallicity 0.3818662E+00 Ellipticity -0.1280037E+01 Gb(Abramov) 0.2359386E-02 Vb(Abramov) -0.1488113E-02 Hb(Abramov) 0.8712732E-03 Ex_ueg -0.3567559E-03 Ec_ueg -0.7274753E-04 Delta_ex -0.5191116E-03 Delta_ec 0.2747306E-03 Delta_et -0.1366048E-02 Pxc 0.4904027E+01 Qxc -0.1889530E+01 3,+1 78 3 +1 -0.257748 -2.515187 1.208685 Rho 0.3139842E-02 |GRAD(Rho)| 0.8277901E-13 GRAD(Rho)x -0.6398217E-13 GRAD(Rho)y 0.5235188E-13 GRAD(Rho)z 0.4234118E-14 Laplacian 0.1243581E-01 (-1/4)Del**2(Rho)) -0.3108952E-02 Diamond 0.1157521E-03 Metallicity 0.3730659E+00 Ellipticity -0.1266003E+01 Gb(Abramov) 0.2265942E-02 Vb(Abramov) -0.1422932E-02 Hb(Abramov) 0.8430101E-03 Ex_ueg -0.3395696E-03 Ec_ueg -0.6776249E-04 Delta_ex -0.4987443E-03 Delta_ec 0.2696936E-03 Delta_et -0.1323393E-02 Pxc 0.5011174E+01 Qxc -0.1849300E+01 3,+1 79 3 +1 1.698564 0.723434 0.017278 Rho 0.7256535E-02 |GRAD(Rho)| 0.2161487E-17 GRAD(Rho)x -0.2030880E-17 GRAD(Rho)y 0.7350989E-19 GRAD(Rho)z -0.7363094E-18 Laplacian 0.2837894E-01 (-1/4)Del**2(Rho)) -0.7094734E-02 Diamond 0.6054562E-03 Metallicity 0.6604387E+00 Ellipticity -0.1383343E+01 Gb(Abramov) 0.5510762E-02 Vb(Abramov) -0.3926790E-02 Hb(Abramov) 0.1583972E-02 Ex_ueg -0.1037586E-02 Ec_ueg -0.2452768E-03 Delta_ex -0.1243883E-02 Delta_ec 0.4021410E-03 Delta_et -0.2628137E-02 Pxc 0.4230265E+01 Qxc -0.3093151E+01 3,+1 80 3 +1 -0.201710 2.239233 -1.929826 Rho 0.6181719E-02 |GRAD(Rho)| 0.5833328E-17 GRAD(Rho)x -0.5671362E-17 GRAD(Rho)y -0.3067185E-18 GRAD(Rho)z -0.1330148E-17 Laplacian 0.2597151E-01 (-1/4)Del**2(Rho)) -0.6492878E-02 Diamond 0.7238989E-03 Metallicity 0.5524564E+00 Ellipticity -0.2273388E+01 Gb(Abramov) 0.4926424E-02 Vb(Abramov) -0.3359970E-02 Hb(Abramov) 0.1566454E-02 Ex_ueg -0.8379101E-03 Ec_ueg -0.1981162E-03 Delta_ex -0.1288866E-02 Delta_ec 0.7156152E-03 Delta_et -0.4181597E-02 Pxc 0.4229388E+01 Qxc -0.1801061E+01 3,+1 81 3 +3 0.041757 1.560783 -1.616099 Rho 0.4859218E-02 |GRAD(Rho)| 0.5712404E-17 GRAD(Rho)x -0.4720158E-17 GRAD(Rho)y 0.3144961E-17 GRAD(Rho)z -0.6788875E-18 Laplacian 0.2016324E-01 (-1/4)Del**2(Rho)) -0.5040811E-02 Diamond 0.1704337E-03 Metallicity 0.4764274E+00 Ellipticity -0.3172353E+00 Gb(Abramov) 0.3760804E-02 Vb(Abramov) -0.2480797E-02 Hb(Abramov) 0.1280007E-02 Ex_ueg -0.6078647E-03 Ec_ueg -0.1408594E-03 Delta_ex -0.7249177E-03 Delta_ec 0.1491468E-03 Delta_et -0.1000072E-02 Pxc 0.4315400E+01 Qxc -0.4860430E+01 3,+3 82 3 +1 -0.507473 0.788972 -1.557899 Rho 0.8577250E-02 |GRAD(Rho)| 0.1280609E-14 GRAD(Rho)x 0.5250444E-17 GRAD(Rho)y -0.2144606E-16 GRAD(Rho)z -0.1280419E-14 Laplacian 0.3377003E-01 (-1/4)Del**2(Rho)) -0.8442507E-02 Diamond 0.8701626E-03 Metallicity 0.7333791E+00 Ellipticity -0.1398350E+01 Gb(Abramov) 0.6660264E-02 Vb(Abramov) -0.4878022E-02 Hb(Abramov) 0.1782243E-02 Ex_ueg -0.1296729E-02 Ec_ueg -0.3039624E-03 Delta_ex -0.1528007E-02 Delta_ec 0.4507292E-03 Delta_et -0.3098513E-02 Pxc 0.4266084E+01 Qxc -0.3390078E+01 3,+1 83 3 +1 0.521034 1.493164 -0.842751 Rho 0.8239754E-02 |GRAD(Rho)| 0.1214454E-16 GRAD(Rho)x 0.1034463E-16 GRAD(Rho)y 0.3531988E-18 GRAD(Rho)z -0.6352456E-17 Laplacian 0.3295736E-01 (-1/4)Del**2(Rho)) -0.8239339E-02 Diamond 0.8239528E-03 Metallicity 0.7028315E+00 Ellipticity -0.1393128E+01 Gb(Abramov) 0.6458037E-02 Vb(Abramov) -0.4676735E-02 Hb(Abramov) 0.1781302E-02 Ex_ueg -0.1229148E-02 Ec_ueg -0.2888907E-03 Delta_ex -0.1485577E-02 Delta_ec 0.4568839E-03 Delta_et -0.3094223E-02 Pxc 0.4254716E+01 Qxc -0.3251541E+01 3,+1 84 3 +1 0.516567 1.494802 0.850303 Rho 0.8195060E-02 |GRAD(Rho)| 0.1256256E-16 GRAD(Rho)x -0.1033398E-16 GRAD(Rho)y -0.2445157E-18 GRAD(Rho)z -0.7139120E-17 Laplacian 0.3278881E-01 (-1/4)Del**2(Rho)) -0.8197204E-02 Diamond 0.8147131E-03 Metallicity 0.7000692E+00 Ellipticity -0.1391902E+01 Gb(Abramov) 0.6421237E-02 Vb(Abramov) -0.4645271E-02 Hb(Abramov) 0.1775966E-02 Ex_ueg -0.1220266E-02 Ec_ueg -0.2868985E-03 Delta_ex -0.1476442E-02 Delta_ec 0.4554271E-03 Delta_et -0.3079315E-02 Pxc 0.4253302E+01 Qxc -0.3241885E+01 3,+1 85 3 +1 0.197503 1.960960 2.214313 Rho 0.6212305E-02 |GRAD(Rho)| 0.1370886E-15 GRAD(Rho)x 0.8904798E-16 GRAD(Rho)y -0.7787922E-16 GRAD(Rho)z 0.6927161E-16 Laplacian 0.2608448E-01 (-1/4)Del**2(Rho)) -0.6521121E-02 Diamond 0.7434848E-03 Metallicity 0.5546073E+00 Ellipticity -0.2378798E+01 Gb(Abramov) 0.4950191E-02 Vb(Abramov) -0.3379261E-02 Hb(Abramov) 0.1570930E-02 Ex_ueg -0.8434424E-03 Ec_ueg -0.1994506E-03 Delta_ex -0.1303856E-02 Delta_ec 0.7331070E-03 Delta_et -0.4283595E-02 Pxc 0.4228829E+01 Qxc -0.1778535E+01 3,+1 86 3 +1 2.014163 0.017998 2.800925 Rho 0.1227623E-01 |GRAD(Rho)| 0.1518302E-16 GRAD(Rho)x -0.8144683E-17 GRAD(Rho)y -0.6049271E-17 GRAD(Rho)z 0.1129577E-16 Laplacian 0.5602235E-01 (-1/4)Del**2(Rho)) -0.1400559E-01 Diamond 0.1699870E-02 Metallicity 0.8035757E+00 Ellipticity -0.1060915E+01 Gb(Abramov) 0.1121282E-01 Vb(Abramov) -0.8420045E-02 Hb(Abramov) 0.2792771E-02 Ex_ueg -0.2091566E-02 Ec_ueg -0.4723356E-03 Delta_ex -0.2597614E-02 Delta_ec 0.4187804E-03 Delta_et -0.3391742E-02 Pxc 0.4428136E+01 Qxc -0.6202806E+01 3,+1 87 3 +1 1.238164 0.669310 -2.363914 Rho 0.2504900E-01 |GRAD(Rho)| 0.3303339E-14 GRAD(Rho)x 0.1125041E-15 GRAD(Rho)y 0.1020670E-14 GRAD(Rho)z -0.3139686E-14 Laplacian 0.9363634E-01 (-1/4)Del**2(Rho)) -0.2340909E-01 Diamond 0.1204470E-01 Metallicity 0.1578166E+01 Ellipticity -0.4002080E+01 Gb(Abramov) 0.2176329E-01 Vb(Abramov) -0.2011750E-01 Hb(Abramov) 0.1645792E-02 Ex_ueg -0.5413010E-02 Ec_ueg -0.1091181E-02 Delta_ex -0.5801270E-02 Delta_ec 0.1543499E-02 Delta_et -0.1364175E-01 Pxc 0.4960688E+01 Qxc -0.3758519E+01 3,+1 88 3 +1 2.016812 0.023426 -2.828600 Rho 0.1212003E-01 |GRAD(Rho)| 0.3384820E-16 GRAD(Rho)x -0.2378046E-16 GRAD(Rho)y -0.2361027E-16 GRAD(Rho)z -0.4769204E-17 Laplacian 0.5528592E-01 (-1/4)Del**2(Rho)) -0.1382148E-01 Diamond 0.1707234E-02 Metallicity 0.7970857E+00 Ellipticity -0.1094432E+01 Gb(Abramov) 0.1105047E-01 Vb(Abramov) -0.8279461E-02 Hb(Abramov) 0.2771009E-02 Ex_ueg -0.2056160E-02 Ec_ueg -0.4651130E-03 Delta_ex -0.2571122E-02 Delta_ec 0.4434231E-03 Delta_et -0.3542616E-02 Pxc 0.4420774E+01 Qxc -0.5798350E+01 3,+1 89 3 -1 1.984077 1.534182 -2.726113 Rho 0.1439666E+00 |GRAD(Rho)| 0.1546667E-12 GRAD(Rho)x 0.9762581E-13 GRAD(Rho)y 0.3952021E-13 GRAD(Rho)z 0.1132659E-12 Laplacian 0.5637330E+00 (-1/4)Del**2(Rho)) -0.1409333E+00 Diamond 0.1095735E+01 Metallicity 0.4834029E+01 Ellipticity 0.4000175E-01 Gb(Abramov) 0.2075014E+00 Vb(Abramov) -0.2740696E+00 Hb(Abramov) -0.6656816E-01 Ex_ueg -0.5572722E-01 Ec_ueg -0.8058415E-02 Delta_ex -0.6002069E-01 Delta_ec 0.1460481E-01 Delta_et -0.1936225E+00 Pxc 0.6915407E+01 Qxc -0.4109651E+01 3,-1 90 3 +1 0.215848 1.955004 -2.237035 Rho 0.6124074E-02 |GRAD(Rho)| 0.2739003E-16 GRAD(Rho)x -0.1997740E-16 GRAD(Rho)y 0.1854175E-16 GRAD(Rho)z 0.2705683E-17 Laplacian 0.2588095E-01 (-1/4)Del**2(Rho)) -0.6470239E-02 Diamond 0.6978270E-03 Metallicity 0.5458000E+00 Ellipticity -0.2056474E+01 Gb(Abramov) 0.4902068E-02 Vb(Abramov) -0.3333898E-02 Hb(Abramov) 0.1568170E-02 Ex_ueg -0.8275081E-03 Ec_ueg -0.1956024E-03 Delta_ex -0.1271602E-02 Delta_ec 0.6947799E-03 Delta_et -0.4056901E-02 Pxc 0.4230561E+01 Qxc -0.1830222E+01 3,+1 91 3 -1 0.847182 0.730084 -3.493013 Rho 0.1248221E+00 |GRAD(Rho)| 0.7875581E-13 GRAD(Rho)x 0.1728604E-13 GRAD(Rho)y -0.7678413E-13 GRAD(Rho)z -0.2805078E-14 Laplacian 0.4879114E+00 (-1/4)Del**2(Rho)) -0.1219779E+00 Diamond 0.7863231E+00 Metallicity 0.4403092E+01 Ellipticity 0.5072464E-01 Gb(Abramov) 0.1708319E+00 Vb(Abramov) -0.2196859E+00 Hb(Abramov) -0.4885400E-01 Ex_ueg -0.4607233E-01 Ec_ueg -0.6851829E-02 Delta_ex -0.5002733E-01 Delta_ec 0.1279343E-01 Delta_et -0.1652884E+00 Pxc 0.6724093E+01 Qxc -0.3910393E+01 3,-1 92 3 +1 -0.207102 2.239379 1.927887 Rho 0.6177247E-02 |GRAD(Rho)| 0.9478547E-17 GRAD(Rho)x -0.8191001E-17 GRAD(Rho)y -0.1131591E-17 GRAD(Rho)z 0.4633558E-17 Laplacian 0.2604229E-01 (-1/4)Del**2(Rho)) -0.6510572E-02 Diamond 0.7131465E-03 Metallicity 0.5502909E+00 Ellipticity -0.2134105E+01 Gb(Abramov) 0.4937499E-02 Vb(Abramov) -0.3364427E-02 Hb(Abramov) 0.1573073E-02 Ex_ueg -0.8371020E-03 Ec_ueg -0.1979211E-03 Delta_ex -0.1283766E-02 Delta_ec 0.7025363E-03 Delta_et -0.4111039E-02 Pxc 0.4229473E+01 Qxc -0.1827331E+01 3,+1 93 3 +1 1.340970 0.739664 2.281775 Rho 0.2605486E-01 |GRAD(Rho)| 0.1976629E-16 GRAD(Rho)x 0.8529104E-17 GRAD(Rho)y -0.1712628E-16 GRAD(Rho)z 0.4964964E-17 Laplacian 0.9551598E-01 (-1/4)Del**2(Rho)) -0.2387900E-01 Diamond 0.1172564E-01 Metallicity 0.1652031E+01 Ellipticity -0.2888024E+01 Gb(Abramov) 0.2249414E-01 Vb(Abramov) -0.2110928E-01 Hb(Abramov) 0.1384857E-02 Ex_ueg -0.5704750E-02 Ec_ueg -0.1141970E-02 Delta_ex -0.5852608E-02 Delta_ec 0.1345887E-02 Delta_et -0.1205626E-01 Pxc 0.4995535E+01 Qxc -0.4348514E+01 3,+1 94 3 -1 0.857748 0.744755 3.478794 Rho 0.1399874E+00 |GRAD(Rho)| 0.4694933E-13 GRAD(Rho)x 0.2211434E-13 GRAD(Rho)y 0.1380151E-13 GRAD(Rho)z -0.3904759E-13 Laplacian 0.5515924E+00 (-1/4)Del**2(Rho)) -0.1378981E+00 Diamond 0.1031653E+01 Metallicity 0.4714941E+01 Ellipticity 0.4582577E-01 Gb(Abramov) 0.2002956E+00 Vb(Abramov) -0.2626932E+00 Hb(Abramov) -0.6239754E-01 Ex_ueg -0.5368301E-01 Ec_ueg -0.7805675E-02 Delta_ex -0.5827422E-01 Delta_ec 0.1429084E-01 Delta_et -0.1884603E+00 Pxc 0.6877433E+01 Qxc -0.4077731E+01 3,-1 95 3 +1 2.980666 0.057440 0.227262 Rho 0.5420265E-02 |GRAD(Rho)| 0.6550551E-13 GRAD(Rho)x 0.1745256E-13 GRAD(Rho)y 0.5828876E-13 GRAD(Rho)z 0.2426521E-13 Laplacian 0.2223641E-01 (-1/4)Del**2(Rho)) -0.5559102E-02 Diamond 0.5726255E-03 Metallicity 0.5183019E+00 Ellipticity -0.3160861E+01 Gb(Abramov) 0.4186283E-02 Vb(Abramov) -0.2813465E-02 Hb(Abramov) 0.1372818E-02 Ex_ueg -0.7032004E-03 Ec_ueg -0.1650431E-03 Delta_ex -0.1118550E-02 Delta_ec 0.6922127E-03 Delta_et -0.3854647E-02 Pxc 0.4260707E+01 Qxc -0.1615905E+01 3,+1 96 3 -1 1.994111 1.532862 2.712407 Rho 0.1372318E+00 |GRAD(Rho)| 0.2732202E-15 GRAD(Rho)x 0.1268788E-15 GRAD(Rho)y -0.2364916E-16 GRAD(Rho)z 0.2408149E-15 Laplacian 0.5373695E+00 (-1/4)Del**2(Rho)) -0.1343424E+00 Diamond 0.9851217E+00 Metallicity 0.4682002E+01 Ellipticity 0.3221037E-01 Gb(Abramov) 0.1943935E+00 Vb(Abramov) -0.2544445E+00 Hb(Abramov) -0.6005108E-01 Ex_ueg -0.5227871E-01 Ec_ueg -0.7631247E-02 Delta_ex -0.5654049E-01 Delta_ec 0.1406552E-01 Delta_et -0.1850777E+00 Pxc 0.6850612E+01 Qxc -0.4019795E+01 3,-1 97 3 +1 2.976546 0.056985 -0.235504 Rho 0.5404305E-02 |GRAD(Rho)| 0.3800026E-17 GRAD(Rho)x 0.1149879E-17 GRAD(Rho)y 0.1126552E-18 GRAD(Rho)z -0.3620122E-17 Laplacian 0.2220982E-01 (-1/4)Del**2(Rho)) -0.5552454E-02 Diamond 0.5547956E-03 Metallicity 0.5163783E+00 Ellipticity -0.2746268E+01 Gb(Abramov) 0.4179497E-02 Vb(Abramov) -0.2806540E-02 Hb(Abramov) 0.1372957E-02 Ex_ueg -0.7004409E-03 Ec_ueg -0.1643530E-03 Delta_ex -0.1104110E-02 Delta_ec 0.6691439E-03 Delta_et -0.3731908E-02 Pxc 0.4261809E+01 Qxc -0.1650033E+01 3,+1 98 3 +3 2.311796 0.059772 0.024272 Rho 0.4427442E-02 |GRAD(Rho)| 0.2159595E-17 GRAD(Rho)x -0.1519974E-17 GRAD(Rho)y -0.8437170E-18 GRAD(Rho)z -0.1281277E-17 Laplacian 0.1847127E-01 (-1/4)Del**2(Rho)) -0.4617817E-02 Diamond 0.1496461E-03 Metallicity 0.4453533E+00 Ellipticity -0.2583895E+00 Gb(Abramov) 0.3421305E-02 Vb(Abramov) -0.2224792E-02 Hb(Abramov) 0.1196512E-02 Ex_ueg -0.5369357E-03 Ec_ueg -0.1223571E-03 Delta_ex -0.6612164E-03 Delta_ec 0.1601907E-03 Delta_et -0.1011099E-02 Pxc 0.4388266E+01 Qxc -0.4127684E+01 3,+3 99 3 -1 3.019649 0.840598 -2.022758 Rho 0.1813625E+00 |GRAD(Rho)| 0.3243455E-15 GRAD(Rho)x -0.1131907E-15 GRAD(Rho)y 0.2946862E-15 GRAD(Rho)z 0.7448469E-16 Laplacian 0.7069289E+00 (-1/4)Del**2(Rho)) -0.1767322E+00 Diamond 0.1794398E+01 Metallicity 0.5664347E+01 Ellipticity 0.4971407E-01 Gb(Abramov) 0.2846670E+00 Vb(Abramov) -0.3926017E+00 Hb(Abramov) -0.1079347E+00 Ex_ueg -0.7581964E-01 Ec_ueg -0.1048056E-01 Delta_ex -0.7955154E-01 Delta_ec 0.1701547E-01 Delta_et -0.2315985E+00 Pxc 0.7234309E+01 Qxc -0.4675248E+01 3,-1 100 3 -1 3.029374 0.839177 2.016879 Rho 0.1824447E+00 |GRAD(Rho)| 0.7859023E-16 GRAD(Rho)x -0.1398621E-16 GRAD(Rho)y -0.6624475E-16 GRAD(Rho)z -0.3990542E-16 Laplacian 0.7125316E+00 (-1/4)Del**2(Rho)) -0.1781329E+00 Diamond 0.1818987E+01 Metallicity 0.5675811E+01 Ellipticity 0.5100332E-01 Gb(Abramov) 0.2872634E+00 Vb(Abramov) -0.3963939E+00 Hb(Abramov) -0.1091305E+00 Ex_ueg -0.7642349E-01 Ec_ueg -0.1055188E-01 Delta_ex -0.8028246E-01 Delta_ec 0.1708768E-01 Delta_et -0.2326133E+00 Pxc 0.7242641E+01 Qxc -0.4698265E+01 3,-1 101 3 -1 2.971831 -0.805168 2.004823 Rho 0.8040874E-01 |GRAD(Rho)| 0.1851695E-15 GRAD(Rho)x -0.5269053E-16 GRAD(Rho)y -0.1774602E-15 GRAD(Rho)z -0.4398219E-17 Laplacian 0.3235510E+00 (-1/4)Del**2(Rho)) -0.8088775E-01 Diamond 0.3061556E+00 Metallicity 0.3190381E+01 Ellipticity 0.4417430E-02 Gb(Abramov) 0.9693562E-01 Vb(Abramov) -0.1129835E+00 Hb(Abramov) -0.1604787E-01 Ex_ueg -0.2563241E-01 Ec_ueg -0.4154462E-02 Delta_ex -0.2992350E-01 Delta_ec 0.9329268E-02 Delta_et -0.1105714E+00 Pxc 0.6169850E+01 Qxc -0.3207486E+01 3,-1 102 3 -1 3.180383 2.333195 -2.226594 Rho 0.2327927E+00 |GRAD(Rho)| 0.4812118E-15 GRAD(Rho)x -0.3726403E-15 GRAD(Rho)y 0.3041187E-15 GRAD(Rho)z -0.1469094E-16 Laplacian 0.8560759E+00 (-1/4)Del**2(Rho)) -0.2140190E+00 Diamond 0.2919769E+01 Metallicity 0.7091148E+01 Ellipticity 0.6575185E-02 Gb(Abramov) 0.3956194E+00 Vb(Abramov) -0.5772197E+00 Hb(Abramov) -0.1816004E+00 Ex_ueg -0.1057656E+00 Ec_ueg -0.1394232E-01 Delta_ex -0.1026188E+00 Delta_ec 0.1909341E-01 Delta_et -0.2642187E+00 Pxc 0.7585938E+01 Qxc -0.5374566E+01 3,-1 103 3 -1 3.199845 2.332456 2.212721 Rho 0.2332430E+00 |GRAD(Rho)| 0.1315421E-12 GRAD(Rho)x -0.8837635E-13 GRAD(Rho)y -0.8498589E-13 GRAD(Rho)z -0.4764811E-13 Laplacian 0.8543787E+00 (-1/4)Del**2(Rho)) -0.2135947E+00 Diamond 0.2921911E+01 Metallicity 0.7128157E+01 Ellipticity 0.6785964E-02 Gb(Abramov) 0.3961525E+00 Vb(Abramov) -0.5787103E+00 Hb(Abramov) -0.1825578E+00 Ex_ueg -0.1060384E+00 Ec_ueg -0.1397327E-01 Delta_ex -0.1024732E+00 Delta_ec 0.1905612E-01 Delta_et -0.2637722E+00 Pxc 0.7588660E+01 Qxc -0.5377445E+01 3,-1 104 3 +3 1.947100 0.017108 -2.727634 Rho 0.1209778E-01 |GRAD(Rho)| 0.1405845E-16 GRAD(Rho)x -0.1318046E-16 GRAD(Rho)y 0.1202042E-17 GRAD(Rho)z 0.4740304E-17 Laplacian 0.5451913E-01 (-1/4)Del**2(Rho)) -0.1362978E-01 Diamond 0.1389276E-02 Metallicity 0.8058249E+00 Ellipticity -0.8741159E+00 Gb(Abramov) 0.1091706E-01 Vb(Abramov) -0.8204333E-02 Hb(Abramov) 0.2712724E-02 Ex_ueg -0.2051128E-02 Ec_ueg -0.4640850E-03 Delta_ex -0.2451256E-02 Delta_ec 0.2892572E-03 Delta_et -0.2493388E-02 Pxc 0.4419726E+01 Qxc -0.8474313E+01 3,+3 105 3 +1 -2.646683 -0.301930 -0.001782 Rho 0.5567754E-02 |GRAD(Rho)| 0.8047568E-17 GRAD(Rho)x -0.1936354E-17 GRAD(Rho)y 0.1452306E-17 GRAD(Rho)z 0.7674939E-17 Laplacian 0.2300730E-01 (-1/4)Del**2(Rho)) -0.5751826E-02 Diamond 0.3593625E-03 Metallicity 0.5238587E+00 Ellipticity -0.1102897E+01 Gb(Abramov) 0.4336741E-02 Vb(Abramov) -0.2921657E-02 Hb(Abramov) 0.1415085E-02 Ex_ueg -0.7288281E-03 Ec_ueg -0.1714268E-03 Delta_ex -0.9583759E-03 Delta_ec 0.3500719E-03 Delta_et -0.2112877E-02 Pxc 0.4251541E+01 Qxc -0.2737654E+01 3,+1 106 3 +1 -2.182658 1.764380 -0.009523 Rho 0.2771759E-01 |GRAD(Rho)| 0.6243863E-16 GRAD(Rho)x -0.6122864E-16 GRAD(Rho)y 0.9322179E-17 GRAD(Rho)z 0.7920386E-17 Laplacian 0.1034534E+00 (-1/4)Del**2(Rho)) -0.2586334E-01 Diamond 0.1455753E-01 Metallicity 0.1690937E+01 Ellipticity -0.3672012E+01 Gb(Abramov) 0.2453111E-01 Vb(Abramov) -0.2319888E-01 Hb(Abramov) 0.1332232E-02 Ex_ueg -0.6195252E-02 Ec_ueg -0.1226490E-02 Delta_ex -0.6516289E-02 Delta_ec 0.1579911E-02 Delta_et -0.1432674E-01 Pxc 0.5051203E+01 Qxc -0.4124466E+01 3,+1 107 3 -1 -1.779025 1.577154 -2.343401 Rho 0.1422213E+00 |GRAD(Rho)| 0.3409968E-15 GRAD(Rho)x -0.2435796E-15 GRAD(Rho)y 0.1058452E-16 GRAD(Rho)z 0.2384025E-15 Laplacian 0.5876781E+00 (-1/4)Del**2(Rho)) -0.1469195E+00 Diamond 0.1125901E+01 Metallicity 0.4543751E+01 Ellipticity 0.1311155E-01 Gb(Abramov) 0.2092073E+00 Vb(Abramov) -0.2714951E+00 Hb(Abramov) -0.6228778E-01 Ex_ueg -0.5482825E-01 Ec_ueg -0.7947437E-02 Delta_ex -0.6238693E-01 Delta_ec 0.1527506E-01 Delta_et -0.2021488E+00 Pxc 0.6898860E+01 Qxc -0.4084234E+01 3,-1 108 3 -1 -1.790555 1.571484 2.332651 Rho 0.1366567E+00 |GRAD(Rho)| 0.5672880E-15 GRAD(Rho)x 0.2682994E-15 GRAD(Rho)y -0.1702740E-15 GRAD(Rho)z 0.4699339E-15 Laplacian 0.5671114E+00 (-1/4)Del**2(Rho)) -0.1417778E+00 Diamond 0.1037154E+01 Metallicity 0.4405511E+01 Ellipticity 0.8903097E-02 Gb(Abramov) 0.1986192E+00 Vb(Abramov) -0.2554606E+00 Hb(Abramov) -0.5684136E-01 Ex_ueg -0.5198678E-01 Ec_ueg -0.7594901E-02 Delta_ex -0.5964007E-01 Delta_ec 0.1491425E-01 Delta_et -0.1962268E+00 Pxc 0.6844958E+01 Qxc -0.3998865E+01 3,-1 109 3 +1 -0.526765 0.798795 1.540928 Rho 0.8876522E-02 |GRAD(Rho)| 0.1192725E-14 GRAD(Rho)x 0.9582455E-15 GRAD(Rho)y -0.6301310E-15 GRAD(Rho)z -0.3275584E-15 Laplacian 0.3527412E-01 (-1/4)Del**2(Rho)) -0.8818531E-02 Diamond 0.9373471E-03 Metallicity 0.7434099E+00 Ellipticity -0.1385645E+01 Gb(Abramov) 0.6971651E-02 Vb(Abramov) -0.5124771E-02 Hb(Abramov) 0.1846880E-02 Ex_ueg -0.1357403E-02 Ec_ueg -0.3173694E-03 Delta_ex -0.1603598E-02 Delta_ec 0.4591525E-03 Delta_et -0.3193834E-02 Pxc 0.4277045E+01 Qxc -0.3492517E+01 3,+1 110 3 +3 -0.237212 -2.295149 -1.441654 Rho 0.3199956E-02 |GRAD(Rho)| 0.3983423E-15 GRAD(Rho)x -0.3785271E-15 GRAD(Rho)y -0.1240048E-15 GRAD(Rho)z 0.4075984E-17 Laplacian 0.1274282E-01 (-1/4)Del**2(Rho)) -0.3185706E-02 Diamond 0.1037718E-03 Metallicity 0.3757688E+00 Ellipticity -0.6957850E+00 Gb(Abramov) 0.2323319E-02 Vb(Abramov) -0.1460932E-02 Hb(Abramov) 0.8623872E-03 Ex_ueg -0.3482654E-03 Ec_ueg -0.7029152E-04 Delta_ex -0.4829038E-03 Delta_ec 0.2225493E-03 Delta_et -0.1130518E-02 Pxc 0.4954587E+01 Qxc -0.2169873E+01 3,+3 111 3 -1 -0.431174 0.513683 -0.001170 Rho 0.1334402E+00 |GRAD(Rho)| 0.6855389E-14 GRAD(Rho)x -0.2345353E-14 GRAD(Rho)y 0.6441656E-14 GRAD(Rho)z 0.2734345E-16 Laplacian 0.6799265E+00 (-1/4)Del**2(Rho)) -0.1699816E+00 Diamond 0.1435395E+01 Metallicity 0.3531526E+01 Ellipticity 0.5366383E-02 Gb(Abramov) 0.2133702E+00 Vb(Abramov) -0.2567587E+00 Hb(Abramov) -0.4338854E-01 Ex_ueg -0.5036173E-01 Ec_ueg -0.7392032E-02 Delta_ex -0.7373672E-01 Delta_ec 0.2270223E-01 Delta_et -0.3065945E+00 Pxc 0.6812975E+01 Qxc -0.3247995E+01 3,-1 112 3 -1 -0.057962 0.013580 4.448283 Rho 0.2324416E+00 |GRAD(Rho)| 0.1450952E-13 GRAD(Rho)x 0.9573234E-14 GRAD(Rho)y 0.9804068E-14 GRAD(Rho)z -0.4770706E-14 Laplacian 0.8795773E+00 (-1/4)Del**2(Rho)) -0.2198943E+00 Diamond 0.2972945E+01 Metallicity 0.6884341E+01 Ellipticity 0.1461404E-02 Gb(Abramov) 0.3989008E+00 Vb(Abramov) -0.5779073E+00 Hb(Abramov) -0.1790065E+00 Ex_ueg -0.1055529E+00 Ec_ueg -0.1391819E-01 Delta_ex -0.1052749E+00 Delta_ec 0.1941263E-01 Delta_et -0.2677140E+00 Pxc 0.7583811E+01 Qxc -0.5423010E+01 3,-1 113 3 -1 -0.537395 0.706318 -3.205394 Rho 0.1291746E+00 |GRAD(Rho)| 0.7405707E-16 GRAD(Rho)x 0.6994459E-16 GRAD(Rho)y -0.1158741E-16 GRAD(Rho)z -0.2139944E-16 Laplacian 0.5393796E+00 (-1/4)Del**2(Rho)) -0.1348449E+00 Diamond 0.9016564E+00 Metallicity 0.4217098E+01 Ellipticity 0.1497384E-01 Gb(Abramov) 0.1846723E+00 Vb(Abramov) -0.2344997E+00 Hb(Abramov) -0.4982739E-01 Ex_ueg -0.4822672E-01 Ec_ueg -0.7124035E-02 Delta_ex -0.5571247E-01 Delta_ec 0.1393733E-01 Delta_et -0.1809102E+00 Pxc 0.6769579E+01 Qxc -0.3997357E+01 3,-1 114 3 -1 -0.542483 0.719164 3.187770 Rho 0.1439880E+00 |GRAD(Rho)| 0.1670129E-12 GRAD(Rho)x 0.1354645E-12 GRAD(Rho)y -0.5330354E-13 GRAD(Rho)z 0.8186220E-13 Laplacian 0.6040682E+00 (-1/4)Del**2(Rho)) -0.1510170E+00 Diamond 0.1164654E+01 Metallicity 0.4512368E+01 Ellipticity 0.1372501E-01 Gb(Abramov) 0.2142521E+00 Vb(Abramov) -0.2774872E+00 Hb(Abramov) -0.6323505E-01 Ex_ueg -0.5573828E-01 Ec_ueg -0.8059778E-02 Delta_ex -0.6421557E-01 Delta_ec 0.1546722E-01 Delta_et -0.2046692E+00 Pxc 0.6915609E+01 Qxc -0.4151721E+01 3,-1 115 3 -1 0.521540 -0.042812 -2.394243 Rho 0.4913884E-01 |GRAD(Rho)| 0.2290170E-12 GRAD(Rho)x -0.1338831E-12 GRAD(Rho)y -0.7912803E-13 GRAD(Rho)z -0.1681156E-12 Laplacian 0.1913946E+00 (-1/4)Del**2(Rho)) -0.4784866E-01 Diamond 0.9461867E-01 Metallicity 0.2373513E+01 Ellipticity 0.6050142E-02 Gb(Abramov) 0.5082733E-01 Vb(Abramov) -0.5380601E-01 Hb(Abramov) -0.2978679E-02 Ex_ueg -0.1329285E-01 Ec_ueg -0.2367327E-02 Delta_ex -0.1567928E-01 Delta_ec 0.5692528E-02 Delta_et -0.5975155E-01 Pxc 0.5615131E+01 Qxc -0.2754361E+01 3,-1 116 3 -1 -0.206081 -3.373633 1.595182 Rho 0.5071078E-02 |GRAD(Rho)| 0.1460382E-16 GRAD(Rho)x -0.1328130E-16 GRAD(Rho)y 0.6013322E-17 GRAD(Rho)z 0.8477376E-18 Laplacian 0.1960436E-01 (-1/4)Del**2(Rho)) -0.4901091E-02 Diamond 0.7108548E-03 Metallicity 0.5261315E+00 Ellipticity 0.1634509E+00 Gb(Abramov) 0.3697163E-02 Vb(Abramov) -0.2493236E-02 Hb(Abramov) 0.1203927E-02 Ex_ueg -0.6434559E-03 Ec_ueg -0.1499729E-03 Delta_ex -0.1200555E-02 Delta_ec 0.1015803E-02 Delta_et -0.5379245E-02 Pxc 0.4290482E+01 Qxc -0.1181878E+01 3,-1 117 3 +1 1.321279 -0.776490 2.333401 Rho 0.2932630E-01 |GRAD(Rho)| 0.3841419E-15 GRAD(Rho)x -0.3804095E-15 GRAD(Rho)y 0.2523298E-16 GRAD(Rho)z -0.4708393E-16 Laplacian 0.1130394E+00 (-1/4)Del**2(Rho)) -0.2825986E-01 Diamond 0.1737317E-01 Metallicity 0.1700116E+01 Ellipticity -0.3687665E+01 Gb(Abramov) 0.2684741E-01 Vb(Abramov) -0.2543497E-01 Hb(Abramov) 0.1412445E-02 Ex_ueg -0.6679256E-02 Ec_ueg -0.1308910E-02 Delta_ex -0.7246347E-02 Delta_ec 0.1754155E-02 Delta_et -0.1611003E-01 Pxc 0.5102917E+01 Qxc -0.4130962E+01 3,+1 118 3 -1 1.672846 -0.923790 -1.546324 Rho 0.5289973E-01 |GRAD(Rho)| 0.1642530E-15 GRAD(Rho)x 0.9051521E-16 GRAD(Rho)y -0.1369864E-15 GRAD(Rho)z 0.4558943E-17 Laplacian 0.1978034E+00 (-1/4)Del**2(Rho)) -0.4945084E-01 Diamond 0.1065755E+00 Metallicity 0.2596980E+01 Ellipticity 0.1214038E-01 Gb(Abramov) 0.5437103E-01 Vb(Abramov) -0.5929123E-01 Hb(Abramov) -0.4920195E-02 Ex_ueg -0.1466638E-01 Ec_ueg -0.2575776E-02 Delta_ex -0.1644763E-01 Delta_ec 0.5771089E-02 Delta_et -0.6171309E-01 Pxc 0.5693966E+01 Qxc -0.2850004E+01 3,-1 119 3 -1 1.433253 -3.036009 0.005499 Rho 0.7353388E-02 |GRAD(Rho)| 0.7831483E-13 GRAD(Rho)x 0.7750516E-13 GRAD(Rho)y -0.1121472E-13 GRAD(Rho)z -0.6266125E-15 Laplacian 0.3013177E-01 (-1/4)Del**2(Rho)) -0.7532943E-02 Diamond 0.1518794E-02 Metallicity 0.6359178E+00 Ellipticity 0.6943051E+00 Gb(Abramov) 0.5820351E-02 Vb(Abramov) -0.4107758E-02 Hb(Abramov) 0.1712592E-02 Ex_ueg -0.1056092E-02 Ec_ueg -0.2495533E-03 Delta_ex -0.1804915E-02 Delta_ec 0.1283684E-02 Delta_et -0.7697216E-02 Pxc 0.4231929E+01 Qxc -0.1406043E+01 3,-1 120 3 -1 1.855494 -2.510571 -1.656870 Rho 0.2348214E+00 |GRAD(Rho)| 0.7696016E-14 GRAD(Rho)x -0.4891920E-15 GRAD(Rho)y -0.7480561E-14 GRAD(Rho)z 0.1740849E-14 Laplacian 0.9051437E+00 (-1/4)Del**2(Rho)) -0.2262859E+00 Diamond 0.3088292E+01 Metallicity 0.6804432E+01 Ellipticity 0.1173141E-01 Gb(Abramov) 0.4074818E+00 Vb(Abramov) -0.5886777E+00 Hb(Abramov) -0.1811959E+00 Ex_ueg -0.1069963E+00 Ec_ueg -0.1408187E-01 Delta_ex -0.1085749E+00 Delta_ec 0.1983098E-01 Delta_et -0.2732119E+00 Pxc 0.7598160E+01 Qxc -0.5475013E+01 3,-1 121 3 -1 1.873499 -2.530419 1.676146 Rho 0.2349696E+00 |GRAD(Rho)| 0.1722377E-13 GRAD(Rho)x -0.7214227E-14 GRAD(Rho)y 0.1203779E-13 GRAD(Rho)z 0.9985231E-14 Laplacian 0.9049725E+00 (-1/4)Del**2(Rho)) -0.2262431E+00 Diamond 0.3089128E+01 Metallicity 0.6812876E+01 Ellipticity 0.1202284E-01 Gb(Abramov) 0.4077231E+00 Vb(Abramov) -0.5892031E+00 Hb(Abramov) -0.1814800E+00 Ex_ueg -0.1070863E+00 Ec_ueg -0.1409207E-01 Delta_ex -0.1085671E+00 Delta_ec 0.1981450E-01 Delta_et -0.2729513E+00 Pxc 0.7599048E+01 Qxc -0.5479176E+01 3,-1 122 3 -1 2.980639 0.059533 0.016575 Rho 0.5446536E-02 |GRAD(Rho)| 0.3544490E-16 GRAD(Rho)x 0.2872370E-16 GRAD(Rho)y 0.1297074E-16 GRAD(Rho)z -0.1621881E-16 Laplacian 0.2188117E-01 (-1/4)Del**2(Rho)) -0.5470293E-02 Diamond 0.6646690E-03 Metallicity 0.5309781E+00 Ellipticity 0.3300108E+01 Gb(Abramov) 0.4130963E-02 Vb(Abramov) -0.2791633E-02 Hb(Abramov) 0.1339330E-02 Ex_ueg -0.7077484E-03 Ec_ueg -0.1661794E-03 Delta_ex -0.1182513E-02 Delta_ec 0.8253944E-03 Delta_et -0.4544562E-02 Pxc 0.4258942E+01 Qxc -0.1432664E+01 3,-1 123 3 -1 2.966908 -0.796461 -1.989581 Rho 0.8110092E-01 |GRAD(Rho)| 0.1954105E-15 GRAD(Rho)x -0.1023436E-15 GRAD(Rho)y -0.1630979E-15 GRAD(Rho)z 0.3331846E-16 Laplacian 0.3263221E+00 (-1/4)Del**2(Rho)) -0.8158051E-01 Diamond 0.3121238E+00 Metallicity 0.3208803E+01 Ellipticity 0.6935073E-02 Gb(Abramov) 0.9801630E-01 Vb(Abramov) -0.1144521E+00 Hb(Abramov) -0.1643579E-01 Ex_ueg -0.2592703E-01 Ec_ueg -0.4195235E-02 Delta_ex -0.3024133E-01 Delta_ec 0.9397382E-02 Delta_et -0.1115941E+00 Pxc 0.6180114E+01 Qxc -0.3218059E+01 3,-1 124 3 -1 2.799028 1.698966 -0.881516 Rho 0.1370305E+00 |GRAD(Rho)| 0.2633877E-15 GRAD(Rho)x -0.6281596E-17 GRAD(Rho)y -0.2402715E-16 GRAD(Rho)z -0.2622143E-15 Laplacian 0.5753473E+00 (-1/4)Del**2(Rho)) -0.1438368E+00 Diamond 0.1052105E+01 Metallicity 0.4362261E+01 Ellipticity 0.1300787E-01 Gb(Abramov) 0.2004669E+00 Vb(Abramov) -0.2570969E+00 Hb(Abramov) -0.5663003E-01 Ex_ueg -0.5217646E-01 Ec_ueg -0.7618520E-02 Delta_ex -0.6050611E-01 Delta_ec 0.1504927E-01 Delta_et -0.1979456E+00 Pxc 0.6848635E+01 Qxc -0.4020534E+01 3,-1 125 3 +3 -2.365389 0.018207 -0.001458 Rho 0.5412003E-02 |GRAD(Rho)| 0.5859327E-17 GRAD(Rho)x 0.2623981E-17 GRAD(Rho)y -0.4257189E-17 GRAD(Rho)z -0.3053322E-17 Laplacian 0.2264248E-01 (-1/4)Del**2(Rho)) -0.5660620E-02 Diamond 0.2489386E-03 Metallicity 0.5077141E+00 Ellipticity -0.5859271E+00 Gb(Abramov) 0.4252743E-02 Vb(Abramov) -0.2844866E-02 Hb(Abramov) 0.1407877E-02 Ex_ueg -0.7017716E-03 Ec_ueg -0.1646858E-03 Delta_ex -0.8604480E-03 Delta_ec 0.2081739E-03 Delta_et -0.1359895E-02 Pxc 0.4261275E+01 Qxc -0.4133314E+01 3,+3 126 3 +1 1.209674 -0.682348 -2.413036 Rho 0.2846638E-01 |GRAD(Rho)| 0.1331289E-16 GRAD(Rho)x 0.1821689E-17 GRAD(Rho)y -0.1315489E-16 GRAD(Rho)z -0.9292347E-18 Laplacian 0.1126442E+00 (-1/4)Del**2(Rho)) -0.2816105E-01 Diamond 0.1813754E-01 Metallicity 0.1623522E+01 Ellipticity -0.5826686E+01 Gb(Abramov) 0.2639405E-01 Vb(Abramov) -0.2462704E-01 Hb(Abramov) 0.1767003E-02 Ex_ueg -0.6419405E-02 Ec_ueg -0.1264776E-02 Delta_ex -0.7301619E-02 Delta_ec 0.1996253E-02 Delta_et -0.1817233E-01 Pxc 0.5075527E+01 Qxc -0.3657662E+01 3,+1 127 3 -1 -0.544024 -0.677598 -3.189055 Rho 0.1422898E+00 |GRAD(Rho)| 0.1568433E-13 GRAD(Rho)x -0.2469582E-14 GRAD(Rho)y -0.5190645E-14 GRAD(Rho)z 0.1459303E-13 Laplacian 0.6058649E+00 (-1/4)Del**2(Rho)) -0.1514662E+00 Diamond 0.1133341E+01 Metallicity 0.4410899E+01 Ellipticity 0.3038183E-01 Gb(Abramov) 0.2123278E+00 Vb(Abramov) -0.2731895E+00 Hb(Abramov) -0.6086163E-01 Ex_ueg -0.5486350E-01 Ec_ueg -0.7951793E-02 Delta_ex -0.6402511E-01 Delta_ec 0.1521021E-01 Delta_et -0.2001740E+00 Pxc 0.6899513E+01 Qxc -0.4209351E+01 3,-1 128 3 -1 1.981614 -1.527101 2.731281 Rho 0.1298144E+00 |GRAD(Rho)| 0.1080962E-14 GRAD(Rho)x 0.7279740E-15 GRAD(Rho)y -0.4263964E-15 GRAD(Rho)z -0.6758103E-15 Laplacian 0.4988140E+00 (-1/4)Del**2(Rho)) -0.1247035E+00 Diamond 0.8634767E+00 Metallicity 0.4597755E+01 Ellipticity 0.2984865E-01 Gb(Abramov) 0.1786950E+00 Vb(Abramov) -0.2326866E+00 Hb(Abramov) -0.5399153E-01 Ex_ueg -0.4854548E-01 Ec_ueg -0.7164156E-02 Delta_ex -0.5188201E-01 Delta_ec 0.1340575E-01 Delta_et -0.1751543E+00 Pxc 0.6776162E+01 Qxc -0.3870131E+01 3,-1 129 3 -1 1.980340 -1.518730 -2.714310 Rho 0.1255162E+00 |GRAD(Rho)| 0.2613543E-13 GRAD(Rho)x 0.1283388E-13 GRAD(Rho)y -0.6642110E-14 GRAD(Rho)z 0.2177693E-13 Laplacian 0.4831968E+00 (-1/4)Del**2(Rho)) -0.1207992E+00 Diamond 0.8050458E+00 Metallicity 0.4487339E+01 Ellipticity 0.2993184E-01 Gb(Abramov) 0.1708773E+00 Vb(Abramov) -0.2209554E+00 Hb(Abramov) -0.5007810E-01 Ex_ueg -0.4641427E-01 Ec_ueg -0.6895156E-02 Delta_ex -0.4987675E-01 Delta_ec 0.1312933E-01 Delta_et -0.1706347E+00 Pxc 0.6731432E+01 Qxc -0.3798882E+01 3,-1 130 3 +1 1.659535 -0.755532 0.021802 Rho 0.9090717E-02 |GRAD(Rho)| 0.9001720E-17 GRAD(Rho)x -0.8167486E-17 GRAD(Rho)y 0.3259534E-17 GRAD(Rho)z -0.1923169E-17 Laplacian 0.3754448E-01 (-1/4)Del**2(Rho)) -0.9386119E-02 Diamond 0.1046387E-02 Metallicity 0.7267705E+00 Ellipticity -0.1371059E+01 Gb(Abramov) 0.7394339E-02 Vb(Abramov) -0.5402558E-02 Hb(Abramov) 0.1991781E-02 Ex_ueg -0.1401251E-02 Ec_ueg -0.3269892E-03 Delta_ex -0.1723888E-02 Delta_ec 0.5004317E-03 Delta_et -0.3491740E-02 Pxc 0.4285312E+01 Qxc -0.3444802E+01 3,+1 131 3 -1 -2.738630 -0.929987 -1.619403 Rho 0.7164108E-01 |GRAD(Rho)| 0.3795234E-15 GRAD(Rho)x 0.8238624E-16 GRAD(Rho)y -0.3699569E-15 GRAD(Rho)z -0.1955556E-16 Laplacian 0.2983796E+00 (-1/4)Del**2(Rho)) -0.7459490E-01 Diamond 0.2475947E+00 Metallicity 0.2853958E+01 Ellipticity 0.5118900E-02 Gb(Abramov) 0.8521172E-01 Vb(Abramov) -0.9582854E-01 Hb(Abramov) -0.1061682E-01 Ex_ueg -0.2197529E-01 Ec_ueg -0.3642100E-02 Delta_ex -0.2694535E-01 Delta_ec 0.8911376E-02 Delta_et -0.1029521E+00 Pxc 0.6033686E+01 Qxc -0.3023703E+01 3,-1 132 3 +1 -1.271618 2.373550 0.708520 Rho 0.2785053E-01 |GRAD(Rho)| 0.3981976E-16 GRAD(Rho)x -0.3019018E-16 GRAD(Rho)y 0.9174229E-17 GRAD(Rho)z 0.2428992E-16 Laplacian 0.1066422E+00 (-1/4)Del**2(Rho)) -0.2666054E-01 Diamond 0.1548306E-01 Metallicity 0.1653509E+01 Ellipticity -0.3782382E+01 Gb(Abramov) 0.2512093E-01 Vb(Abramov) -0.2358133E-01 Hb(Abramov) 0.1539606E-02 Ex_ueg -0.6234901E-02 Ec_ueg -0.1233277E-02 Delta_ex -0.6761407E-02 Delta_ec 0.1691967E-02 Delta_et -0.1534914E-01 Pxc 0.5055555E+01 Qxc -0.3996183E+01 3,+1 133 3 -1 -0.225899 -3.357646 -1.598098 Rho 0.5145726E-02 |GRAD(Rho)| 0.2228106E-16 GRAD(Rho)x 0.2146449E-16 GRAD(Rho)y 0.5975838E-17 GRAD(Rho)z 0.1035205E-18 Laplacian 0.1993535E-01 (-1/4)Del**2(Rho)) -0.4983837E-02 Diamond 0.7343689E-03 Metallicity 0.5301521E+00 Ellipticity 0.1657793E+00 Gb(Abramov) 0.3762923E-02 Vb(Abramov) -0.2542010E-02 Hb(Abramov) 0.1220914E-02 Ex_ueg -0.6561160E-03 Ec_ueg -0.1531894E-03 Delta_ex -0.1221147E-02 Delta_ec 0.1028504E-02 Delta_et -0.5472530E-02 Pxc 0.4283039E+01 Qxc -0.1187304E+01 3,-1 134 3 -1 0.881120 -0.680274 -3.514030 Rho 0.1395197E+00 |GRAD(Rho)| 0.6055938E-15 GRAD(Rho)x -0.5977884E-15 GRAD(Rho)y 0.9691412E-16 GRAD(Rho)z -0.7148958E-18 Laplacian 0.5494194E+00 (-1/4)Del**2(Rho)) -0.1373548E+00 Diamond 0.1009557E+01 Metallicity 0.4707264E+01 Ellipticity 0.7935457E-01 Gb(Abramov) 0.1993308E+00 Vb(Abramov) -0.2613068E+00 Hb(Abramov) -0.6197596E-01 Ex_ueg -0.5344403E-01 Ec_ueg -0.7776039E-02 Delta_ex -0.5784481E-01 Delta_ec 0.1397367E-01 Delta_et -0.1836212E+00 Pxc 0.6872912E+01 Qxc -0.4139558E+01 3,-1 135 3 -1 -0.013334 2.110763 -2.066804 Rho 0.6260047E-02 |GRAD(Rho)| 0.2731194E-17 GRAD(Rho)x -0.1484034E-17 GRAD(Rho)y 0.2292815E-17 GRAD(Rho)z 0.7843782E-20 Laplacian 0.2531295E-01 (-1/4)Del**2(Rho)) -0.6328238E-02 Diamond 0.9327949E-03 Metallicity 0.5788505E+00 Ellipticity 0.1746359E+01 Gb(Abramov) 0.4829342E-02 Vb(Abramov) -0.3330447E-02 Hb(Abramov) 0.1498895E-02 Ex_ueg -0.8520961E-03 Ec_ueg -0.2015344E-03 Delta_ex -0.1407550E-02 Delta_ec 0.9618327E-03 Delta_et -0.5522910E-02 Pxc 0.4228043E+01 Qxc -0.1463404E+01 3,-1 136 3 -1 0.337047 -0.074747 0.555380 Rho 0.1348001E+00 |GRAD(Rho)| 0.1458149E-12 GRAD(Rho)x -0.8758831E-13 GRAD(Rho)y 0.8785902E-14 GRAD(Rho)z -0.1162458E-12 Laplacian 0.6904014E+00 (-1/4)Del**2(Rho)) -0.1726003E+00 Diamond 0.1480170E+01 Metallicity 0.3537220E+01 Ellipticity 0.3772067E-02 Gb(Abramov) 0.2168211E+00 Vb(Abramov) -0.2610419E+00 Hb(Abramov) -0.4422078E-01 Ex_ueg -0.5104723E-01 Ec_ueg -0.7477723E-02 Delta_ex -0.7510115E-01 Delta_ec 0.2309966E-01 Delta_et -0.3127556E+00 Pxc 0.6826573E+01 Qxc -0.3251180E+01 3,-1 137 3 -1 0.515349 -0.032405 2.384158 Rho 0.5853003E-01 |GRAD(Rho)| 0.1774045E-15 GRAD(Rho)x 0.1176486E-16 GRAD(Rho)y -0.1744464E-17 GRAD(Rho)z -0.1770053E-15 Laplacian 0.2246351E+00 (-1/4)Del**2(Rho)) -0.5615877E-01 Diamond 0.1378856E+00 Metallicity 0.2706659E+01 Ellipticity 0.9114534E-02 Gb(Abramov) 0.6277295E-01 Vb(Abramov) -0.6938713E-01 Hb(Abramov) -0.6614182E-02 Ex_ueg -0.1678379E-01 Ec_ueg -0.2891540E-02 Delta_ex -0.1913160E-01 Delta_ec 0.6486812E-02 Delta_et -0.7115050E-01 Pxc 0.5804446E+01 Qxc -0.2949307E+01 3,-1 138 3 -1 0.887426 -0.678295 3.505772 Rho 0.1449784E+00 |GRAD(Rho)| 0.5692167E-15 GRAD(Rho)x -0.5488231E-15 GRAD(Rho)y -0.1420440E-15 GRAD(Rho)z 0.5122771E-16 Laplacian 0.5745018E+00 (-1/4)Del**2(Rho)) -0.1436254E+00 Diamond 0.1118112E+01 Metallicity 0.4799107E+01 Ellipticity 0.6419460E-01 Gb(Abramov) 0.2106293E+00 Vb(Abramov) -0.2776331E+00 Hb(Abramov) -0.6700383E-01 Ex_ueg -0.5625001E-01 Ec_ueg -0.8122835E-02 Delta_ex -0.6118860E-01 Delta_ec 0.1470968E-01 Delta_et -0.1948922E+00 Pxc 0.6924923E+01 Qxc -0.4159752E+01 3,-1 139 3 +1 2.187030 -0.153928 -1.723630 Rho 0.2532234E-01 |GRAD(Rho)| 0.1939271E-16 GRAD(Rho)x -0.3286172E-17 GRAD(Rho)y -0.1782516E-16 GRAD(Rho)z 0.6895079E-17 Laplacian 0.9598403E-01 (-1/4)Del**2(Rho)) -0.2399601E-01 Diamond 0.1214419E-01 Metallicity 0.1567667E+01 Ellipticity -0.3266426E+01 Gb(Abramov) 0.2226697E-01 Vb(Abramov) -0.2053792E-01 Hb(Abramov) 0.1729043E-02 Ex_ueg -0.5491911E-02 Ec_ueg -0.1104957E-02 Delta_ex -0.5922592E-02 Delta_ec 0.1508145E-02 Delta_et -0.1338129E-01 Pxc 0.4970248E+01 Qxc -0.3927072E+01 3,+1 140 3 -1 1.667756 -0.931947 1.572451 Rho 0.4898224E-01 |GRAD(Rho)| 0.9620454E-16 GRAD(Rho)x -0.6060902E-16 GRAD(Rho)y -0.5962815E-16 GRAD(Rho)z 0.4501493E-16 Laplacian 0.1820344E+00 (-1/4)Del**2(Rho)) -0.4550860E-01 Diamond 0.8809223E-01 Metallicity 0.2482318E+01 Ellipticity 0.1320459E-01 Gb(Abramov) 0.4916687E-01 Vb(Abramov) -0.5282513E-01 Hb(Abramov) -0.3658267E-02 Ex_ueg -0.1323640E-01 Ec_ueg -0.2358693E-02 Delta_ex -0.1483364E-01 Delta_ec 0.5294882E-02 Delta_et -0.5549930E-01 Pxc 0.5611751E+01 Qxc -0.2801506E+01 3,-1 141 3 +1 2.177634 -0.173501 1.735369 Rho 0.2445860E-01 |GRAD(Rho)| 0.7103931E-16 GRAD(Rho)x 0.6407968E-16 GRAD(Rho)y 0.2415946E-16 GRAD(Rho)z 0.1888644E-16 Laplacian 0.9171076E-01 (-1/4)Del**2(Rho)) -0.2292769E-01 Diamond 0.1098054E-01 Metallicity 0.1548503E+01 Ellipticity -0.3136637E+01 Gb(Abramov) 0.2120239E-01 Vb(Abramov) -0.1947710E-01 Hb(Abramov) 0.1725296E-02 Ex_ueg -0.5243571E-02 Ec_ueg -0.1061494E-02 Delta_ex -0.5597086E-02 Delta_ec 0.1424869E-02 Delta_et -0.1254278E-01 Pxc 0.4939802E+01 Qxc -0.3928140E+01 3,+1 142 3 +3 1.972292 0.013817 2.737436 Rho 0.1227090E-01 |GRAD(Rho)| 0.2424637E-16 GRAD(Rho)x 0.1950783E-16 GRAD(Rho)y 0.1418586E-16 GRAD(Rho)z -0.2468305E-17 Laplacian 0.5558112E-01 (-1/4)Del**2(Rho)) -0.1389528E-01 Diamond 0.1500277E-02 Metallicity 0.8093692E+00 Ellipticity -0.9272498E+00 Gb(Abramov) 0.1113792E-01 Vb(Abramov) -0.8380564E-02 Hb(Abramov) 0.2757358E-02 Ex_ueg -0.2090357E-02 Ec_ueg -0.4720892E-03 Delta_ex -0.2524894E-02 Delta_ec 0.3227368E-03 Delta_et -0.2735927E-02 Pxc 0.4427885E+01 Qxc -0.7823384E+01 3,+3 143 3 -1 -3.204774 -2.150757 -2.256388 Rho 0.2232956E+00 |GRAD(Rho)| 0.1134024E-11 GRAD(Rho)x 0.8786906E-12 GRAD(Rho)y 0.9732622E-13 GRAD(Rho)z 0.7102402E-12 Laplacian 0.8447967E+00 (-1/4)Del**2(Rho)) -0.2111992E+00 Diamond 0.2730694E+01 Metallicity 0.6703906E+01 Ellipticity 0.2533109E-01 Gb(Abramov) 0.3767760E+00 Vb(Abramov) -0.5423528E+00 Hb(Abramov) -0.1655768E+00 Ex_ueg -0.1000519E+00 Ec_ueg -0.1329203E-01 Delta_ex -0.1001203E+00 Delta_ec 0.1896810E-01 Delta_et -0.2615516E+00 Pxc 0.7527206E+01 Qxc -0.5278352E+01 3,-1 144 3 -1 -2.984490 -2.132070 -0.767731 Rho 0.1421608E+00 |GRAD(Rho)| 0.1240911E-14 GRAD(Rho)x 0.1681055E-15 GRAD(Rho)y -0.1225423E-14 GRAD(Rho)z 0.9969239E-16 Laplacian 0.5406819E+00 (-1/4)Del**2(Rho)) -0.1351705E+00 Diamond 0.1046453E+01 Metallicity 0.4935193E+01 Ellipticity 0.5204447E-01 Gb(Abramov) 0.2012957E+00 Vb(Abramov) -0.2674210E+00 Hb(Abramov) -0.6612525E-01 Ex_ueg -0.5479716E-01 Ec_ueg -0.7943593E-02 Delta_ex -0.5751093E-01 Delta_ec 0.1426740E-01 Delta_et -0.1892493E+00 Pxc 0.6898283E+01 Qxc -0.4030932E+01 3,-1 145 3 +1 -2.257468 -1.798190 0.008804 Rho 0.3340707E-01 |GRAD(Rho)| 0.4793809E-16 GRAD(Rho)x 0.2993690E-16 GRAD(Rho)y 0.1525162E-16 GRAD(Rho)z -0.3419401E-16 Laplacian 0.1359022E+00 (-1/4)Del**2(Rho)) -0.3397556E-01 Diamond 0.2552563E-01 Metallicity 0.1757049E+01 Ellipticity -0.4405039E+01 Gb(Abramov) 0.3259982E-01 Vb(Abramov) -0.3122409E-01 Hb(Abramov) 0.1375734E-02 Ex_ueg -0.7946384E-02 Ec_ueg -0.1520650E-02 Delta_ex -0.9067142E-02 Delta_ec 0.2177404E-02 Delta_et -0.2059354E-01 Pxc 0.5225650E+01 Qxc -0.4164198E+01 3,+1 146 3 -1 -2.975422 -2.135099 0.774647 Rho 0.1387457E+00 |GRAD(Rho)| 0.4172223E-15 GRAD(Rho)x -0.2415873E-15 GRAD(Rho)y 0.5535021E-16 GRAD(Rho)z -0.3356283E-15 Laplacian 0.5283908E+00 (-1/4)Del**2(Rho)) -0.1320977E+00 Diamond 0.9932509E+00 Metallicity 0.4849427E+01 Ellipticity 0.4983866E-01 Gb(Abramov) 0.1948315E+00 Vb(Abramov) -0.2575653E+00 Hb(Abramov) -0.6273380E-01 Ex_ueg -0.5304907E-01 Ec_ueg -0.7727016E-02 Delta_ex -0.5587368E-01 Delta_ec 0.1402552E-01 Delta_et -0.1853376E+00 Pxc 0.6865402E+01 Qxc -0.3983715E+01 3,-1 147 3 -1 -3.185871 -2.162951 2.263030 Rho 0.2234346E+00 |GRAD(Rho)| 0.2356870E-15 GRAD(Rho)x -0.5350538E-16 GRAD(Rho)y -0.3949206E-16 GRAD(Rho)z -0.2261104E-15 Laplacian 0.8450675E+00 (-1/4)Del**2(Rho)) -0.2112669E+00 Diamond 0.2733502E+01 Metallicity 0.6708710E+01 Ellipticity 0.2514431E-01 Gb(Abramov) 0.3770659E+00 Vb(Abramov) -0.5428650E+00 Hb(Abramov) -0.1657991E+00 Ex_ueg -0.1001349E+00 Ec_ueg -0.1330151E-01 Delta_ex -0.1001679E+00 Delta_ec 0.1896961E-01 Delta_et -0.2615758E+00 Pxc 0.7528084E+01 Qxc -0.5280442E+01 3,-1 148 3 -1 -1.756625 -1.640130 -2.304750 Rho 0.1275165E+00 |GRAD(Rho)| 0.2314101E-09 GRAD(Rho)x 0.1570417E-09 GRAD(Rho)y 0.9224868E-10 GRAD(Rho)z -0.1427541E-09 Laplacian 0.5330725E+00 (-1/4)Del**2(Rho)) -0.1332681E+00 Diamond 0.9029750E+00 Metallicity 0.4176100E+01 Ellipticity 0.1135420E-01 Gb(Abramov) 0.1816023E+00 Vb(Abramov) -0.2299364E+00 Hb(Abramov) -0.4833414E-01 Ex_ueg -0.4740312E-01 Ec_ueg -0.7020190E-02 Delta_ex -0.5520594E-01 Delta_ec 0.1438224E-01 Delta_et -0.1873398E+00 Pxc 0.6752399E+01 Qxc -0.3838479E+01 3,-1 149 3 -1 -1.752552 -1.664460 -0.811121 Rho 0.6633885E-01 |GRAD(Rho)| 0.1300337E-14 GRAD(Rho)x -0.8035835E-15 GRAD(Rho)y -0.3970662E-15 GRAD(Rho)z -0.9420548E-15 Laplacian 0.2573960E+00 (-1/4)Del**2(Rho)) -0.6434900E-01 Diamond 0.1889126E+00 Metallicity 0.2910435E+01 Ellipticity 0.2570913E-01 Gb(Abramov) 0.7411326E-01 Vb(Abramov) -0.8387753E-01 Hb(Abramov) -0.9764267E-02 Ex_ueg -0.1983394E-01 Ec_ueg -0.3336167E-02 Delta_ex -0.2268616E-01 Delta_ec 0.7508633E-02 Delta_et -0.8501195E-01 Pxc 0.5945127E+01 Qxc -0.3021343E+01 3,-1 150 3 -1 -1.744078 -1.668033 0.811495 Rho 0.6637261E-01 |GRAD(Rho)| 0.1967420E-15 GRAD(Rho)x 0.1210554E-15 GRAD(Rho)y 0.9420023E-16 GRAD(Rho)z -0.1232043E-15 Laplacian 0.2572336E+00 (-1/4)Del**2(Rho)) -0.6430841E-01 Diamond 0.1888794E+00 Metallicity 0.2914743E+01 Ellipticity 0.2632364E-01 Gb(Abramov) 0.7411269E-01 Vb(Abramov) -0.8391697E-01 Hb(Abramov) -0.9804278E-02 Ex_ueg -0.1984740E-01 Ec_ueg -0.3338106E-02 Delta_ex -0.2267350E-01 Delta_ec 0.7501508E-02 Delta_et -0.8494057E-01 Pxc 0.5945708E+01 Qxc -0.3022526E+01 3,-1 151 3 -1 -1.740451 -1.645614 2.304455 Rho 0.1308954E+00 |GRAD(Rho)| 0.5104135E-15 GRAD(Rho)x 0.3165599E-15 GRAD(Rho)y 0.2842846E-15 GRAD(Rho)z 0.2819468E-15 Laplacian 0.5492891E+00 (-1/4)Del**2(Rho)) -0.1373223E+00 Diamond 0.9587086E+00 Metallicity 0.4233371E+01 Ellipticity 0.1093571E-01 Gb(Abramov) 0.1884375E+00 Vb(Abramov) -0.2395528E+00 Hb(Abramov) -0.5111527E-01 Ex_ueg -0.4908526E-01 Ec_ueg -0.7232008E-02 Delta_ex -0.5722588E-01 Delta_ec 0.1469781E-01 Delta_et -0.1922358E+00 Pxc 0.6787224E+01 Qxc -0.3893498E+01 3,-1 152 3 -1 -0.532729 2.413168 0.003060 Rho 0.5072638E-01 |GRAD(Rho)| 0.4835602E-17 GRAD(Rho)x 0.2226214E-17 GRAD(Rho)y -0.4000537E-17 GRAD(Rho)z -0.1556509E-17 Laplacian 0.1947564E+00 (-1/4)Del**2(Rho)) -0.4868911E-01 Diamond 0.9850462E-01 Metallicity 0.2459487E+01 Ellipticity 0.9397424E-02 Gb(Abramov) 0.5241778E-01 Vb(Abramov) -0.5614644E-01 Hb(Abramov) -0.3728666E-02 Ex_ueg -0.1386852E-01 Ec_ueg -0.2455065E-02 Delta_ex -0.1599717E-01 Delta_ec 0.5637960E-02 Delta_et -0.5962639E-01 Pxc 0.5648944E+01 Qxc -0.2837404E+01 3,-1 153 3 -1 0.543771 3.208967 -0.682161 Rho 0.1442823E+00 |GRAD(Rho)| 0.1222318E-15 GRAD(Rho)x -0.3172647E-16 GRAD(Rho)y 0.1097551E-15 GRAD(Rho)z -0.4344940E-16 Laplacian 0.6032835E+00 (-1/4)Del**2(Rho)) -0.1508209E+00 Diamond 0.1172090E+01 Metallicity 0.4533639E+01 Ellipticity 0.1279905E-01 Gb(Abramov) 0.2145085E+00 Vb(Abramov) -0.2781961E+00 Hb(Abramov) -0.6368762E-01 Ex_ueg -0.5589023E-01 Ec_ueg -0.8078511E-02 Delta_ex -0.6422810E-01 Delta_ec 0.1555350E-01 Delta_et -0.2061210E+00 Pxc 0.6918383E+01 Qxc -0.4129495E+01 3,-1 154 3 -1 0.546353 3.208448 0.694029 Rho 0.1450909E+00 |GRAD(Rho)| 0.1043692E-12 GRAD(Rho)x 0.9962091E-13 GRAD(Rho)y -0.1349050E-13 GRAD(Rho)z -0.2804652E-13 Laplacian 0.6071215E+00 (-1/4)Del**2(Rho)) -0.1517804E+00 Diamond 0.1186440E+01 Metallicity 0.4547136E+01 Ellipticity 0.1414402E-01 Gb(Abramov) 0.2162146E+00 Vb(Abramov) -0.2806488E+00 Hb(Abramov) -0.6443422E-01 Ex_ueg -0.5630826E-01 Ec_ueg -0.8130007E-02 Delta_ex -0.6471408E-01 Delta_ec 0.1561147E-01 Delta_et -0.2070163E+00 Pxc 0.6925979E+01 Qxc -0.4145291E+01 3,-1 155 3 -1 -0.850081 3.530656 -0.711030 Rho 0.1513172E+00 |GRAD(Rho)| 0.8080087E-15 GRAD(Rho)x 0.5879086E-15 GRAD(Rho)y 0.3254419E-15 GRAD(Rho)z 0.4486971E-15 Laplacian 0.5918466E+00 (-1/4)Del**2(Rho)) -0.1479617E+00 Diamond 0.1215933E+01 Metallicity 0.5002853E+01 Ellipticity 0.4459263E-01 Gb(Abramov) 0.2220128E+00 Vb(Abramov) -0.2960640E+00 Hb(Abramov) -0.7405117E-01 Ex_ueg -0.5955287E-01 Ec_ueg -0.8527886E-02 Delta_ex -0.6373392E-01 Delta_ec 0.1505236E-01 Delta_et -0.2007791E+00 Pxc 0.6983310E+01 Qxc -0.4234148E+01 3,-1 156 3 +1 1.756902 2.482135 0.001908 Rho 0.1240546E-01 |GRAD(Rho)| 0.1071313E-14 GRAD(Rho)x -0.3892338E-15 GRAD(Rho)y 0.2649428E-15 GRAD(Rho)z -0.9622962E-15 Laplacian 0.6214165E-01 (-1/4)Del**2(Rho)) -0.1553541E-01 Diamond 0.2566739E-02 Metallicity 0.7372002E+00 Ellipticity -0.1244165E+01 Gb(Abramov) 0.1226573E-01 Vb(Abramov) -0.8996041E-02 Hb(Abramov) 0.3269686E-02 Ex_ueg -0.2120976E-02 Ec_ueg -0.4783189E-03 Delta_ex -0.3070566E-02 Delta_ec 0.7871414E-03 Delta_et -0.5965020E-02 Pxc 0.4434230E+01 Qxc -0.3900907E+01 3,+1 157 3 -1 -3.176143 2.209361 -2.294638 Rho 0.2287356E+00 |GRAD(Rho)| 0.1142194E-12 GRAD(Rho)x 0.7702844E-13 GRAD(Rho)y -0.4386687E-13 GRAD(Rho)z 0.7203049E-13 Laplacian 0.8556953E+00 (-1/4)Del**2(Rho)) -0.2139238E+00 Diamond 0.2843117E+01 Metallicity 0.6889434E+01 Ellipticity 0.7808484E-02 Gb(Abramov) 0.3882516E+00 Vb(Abramov) -0.5625793E+00 Hb(Abramov) -0.1743278E+00 Ex_ueg -0.1033150E+00 Ec_ueg -0.1366391E-01 Delta_ex -0.1020245E+00 Delta_ec 0.1903831E-01 Delta_et -0.2626496E+00 Pxc 0.7561157E+01 Qxc -0.5358904E+01 3,-1 158 3 -1 -2.996023 2.059598 -0.790994 Rho 0.1359295E+00 |GRAD(Rho)| 0.1285080E-12 GRAD(Rho)x 0.4852526E-13 GRAD(Rho)y -0.2440993E-13 GRAD(Rho)z -0.1164635E-12 Laplacian 0.5328784E+00 (-1/4)Del**2(Rho)) -0.1332196E+00 Diamond 0.9656870E+00 Metallicity 0.4647020E+01 Ellipticity 0.4019555E-01 Gb(Abramov) 0.1919921E+00 Vb(Abramov) -0.2507646E+00 Hb(Abramov) -0.5877248E-01 Ex_ueg -0.5161825E-01 Ec_ueg -0.7548977E-02 Delta_ex -0.5593774E-01 Delta_ec 0.1397854E-01 Delta_et -0.1836557E+00 Pxc 0.6837781E+01 Qxc -0.4001688E+01 3,-1 159 3 -1 -3.004666 2.057294 0.779976 Rho 0.1404024E+00 |GRAD(Rho)| 0.3355985E-09 GRAD(Rho)x 0.1460204E-09 GRAD(Rho)y -0.7267643E-10 GRAD(Rho)z 0.2932960E-09 Laplacian 0.5493127E+00 (-1/4)Del**2(Rho)) -0.1373282E+00 Diamond 0.1035335E+01 Metallicity 0.4757924E+01 Ellipticity 0.4318639E-01 Gb(Abramov) 0.2004516E+00 Vb(Abramov) -0.2635751E+00 Hb(Abramov) -0.6312345E-01 Ex_ueg -0.5389530E-01 Ec_ueg -0.7831986E-02 Delta_ex -0.5812183E-01 Delta_ec 0.1430479E-01 Delta_et -0.1889023E+00 Pxc 0.6881435E+01 Qxc -0.4063102E+01 3,-1 160 3 -1 2.748422 -1.680449 -0.843442 Rho 0.1425191E+00 |GRAD(Rho)| 0.2657318E-12 GRAD(Rho)x 0.7922092E-13 GRAD(Rho)y 0.3042571E-13 GRAD(Rho)z 0.2518168E-12 Laplacian 0.5865977E+00 (-1/4)Del**2(Rho)) -0.1466494E+00 Diamond 0.1128377E+01 Metallicity 0.4568017E+01 Ellipticity 0.7767368E-02 Gb(Abramov) 0.2094158E+00 Vb(Abramov) -0.2721822E+00 Hb(Abramov) -0.6276638E-01 Ex_ueg -0.5498139E-01 Ec_ueg -0.7966360E-02 Delta_ex -0.6232230E-01 Delta_ec 0.1527194E-01 Delta_et -0.2022403E+00 Pxc 0.6901695E+01 Qxc -0.4080838E+01 3,-1 161 3 -1 2.752577 -1.687040 0.870918 Rho 0.1405981E+00 |GRAD(Rho)| 0.6958491E-13 GRAD(Rho)x 0.4517033E-13 GRAD(Rho)y 0.4614916E-13 GRAD(Rho)z -0.2592211E-13 Laplacian 0.5771531E+00 (-1/4)Del**2(Rho)) -0.1442883E+00 Diamond 0.1092722E+01 Metallicity 0.4538940E+01 Ellipticity 0.7139576E-02 Gb(Abramov) 0.2053448E+00 Vb(Abramov) -0.2664013E+00 Hb(Abramov) -0.6105654E-01 Ex_ueg -0.5399550E-01 Ec_ueg -0.7844399E-02 Delta_ex -0.6112184E-01 Delta_ec 0.1508466E-01 Delta_et -0.1993676E+00 Pxc 0.6883319E+01 Qxc -0.4051921E+01 3,-1 162 3 -1 -2.788275 0.887437 1.628728 Rho 0.1948633E+00 |GRAD(Rho)| 0.1293745E-13 GRAD(Rho)x -0.4109031E-14 GRAD(Rho)y 0.8612523E-14 GRAD(Rho)z -0.8736020E-14 Laplacian 0.7966468E+00 (-1/4)Del**2(Rho)) -0.1991617E+00 Diamond 0.2174763E+01 Metallicity 0.5665403E+01 Ellipticity 0.2374624E-01 Gb(Abramov) 0.3208297E+00 Vb(Abramov) -0.4424976E+00 Hb(Abramov) -0.1216680E+00 Ex_ueg -0.8343696E-01 Ec_ueg -0.1137501E-01 Delta_ex -0.9108523E-01 Delta_ec 0.1843945E-01 Delta_et -0.2514597E+00 Pxc 0.7335114E+01 Qxc -0.4939693E+01 3,-1 163 3 -1 -2.776444 0.893531 -1.637490 Rho 0.1931678E+00 |GRAD(Rho)| 0.1314487E-13 GRAD(Rho)x 0.3908346E-14 GRAD(Rho)y -0.9196203E-14 GRAD(Rho)z -0.8540623E-14 Laplacian 0.7906881E+00 (-1/4)Del**2(Rho)) -0.1976720E+00 Diamond 0.2138166E+01 Metallicity 0.5625559E+01 Ellipticity 0.2208004E-01 Gb(Abramov) 0.3171173E+00 Vb(Abramov) -0.4365626E+00 Hb(Abramov) -0.1194453E+00 Ex_ueg -0.8247036E-01 Ec_ueg -0.1126211E-01 Delta_ex -0.9021834E-01 Delta_ec 0.1837345E-01 Delta_et -0.2504761E+00 Pxc 0.7322818E+01 Qxc -0.4910257E+01 3,-1 164 3 -1 -1.980524 2.715612 1.499779 Rho 0.1172473E+00 |GRAD(Rho)| 0.1879182E-13 GRAD(Rho)x 0.1489703E-13 GRAD(Rho)y 0.2523914E-14 GRAD(Rho)z -0.1117323E-13 Laplacian 0.4669328E+00 (-1/4)Del**2(Rho)) -0.1167332E+00 Diamond 0.7020203E+00 Metallicity 0.4145057E+01 Ellipticity 0.2153594E-01 Gb(Abramov) 0.1584664E+00 Vb(Abramov) -0.2001997E+00 Hb(Abramov) -0.4173323E-01 Ex_ueg -0.4238275E-01 Ec_ueg -0.6381193E-02 Delta_ex -0.4722054E-01 Delta_ec 0.1252554E-01 Delta_et -0.1602680E+00 Pxc 0.6641822E+01 Qxc -0.3769940E+01 3,-1 165 3 -1 3.220053 -2.261521 -2.190980 Rho 0.2247743E+00 |GRAD(Rho)| 0.2434671E-13 GRAD(Rho)x -0.1714422E-13 GRAD(Rho)y 0.1502531E-13 GRAD(Rho)z 0.8548582E-14 Laplacian 0.8397532E+00 (-1/4)Del**2(Rho)) -0.2099383E+00 Diamond 0.2742720E+01 Metallicity 0.6818768E+01 Ellipticity 0.2122095E-01 Gb(Abramov) 0.3785457E+00 Vb(Abramov) -0.5471530E+00 Hb(Abramov) -0.1686074E+00 Ex_ueg -0.1009363E+00 Ec_ueg -0.1339296E-01 Delta_ex -0.9973193E-01 Delta_ec 0.1888843E-01 Delta_et -0.2608221E+00 Pxc 0.7536519E+01 Qxc -0.5280053E+01 3,-1 166 3 -1 3.232447 -2.272368 2.218056 Rho 0.2255880E+00 |GRAD(Rho)| 0.3332963E-15 GRAD(Rho)x -0.1609498E-15 GRAD(Rho)y -0.2773389E-15 GRAD(Rho)z 0.9091035E-16 Laplacian 0.8380206E+00 (-1/4)Del**2(Rho)) -0.2095051E+00 Diamond 0.2751213E+01 Metallicity 0.6874141E+01 Ellipticity 0.2071432E-01 Gb(Abramov) 0.3796981E+00 Vb(Abramov) -0.5498910E+00 Hb(Abramov) -0.1701930E+00 Ex_ueg -0.1014238E+00 Ec_ueg -0.1344855E-01 Delta_ex -0.9963234E-01 Delta_ec 0.1885285E-01 Delta_et -0.2604719E+00 Pxc 0.7541616E+01 Qxc -0.5284737E+01 3,-1 167 3 -1 -2.089885 -2.942255 1.668487 Rho 0.2305162E+00 |GRAD(Rho)| 0.2059540E-14 GRAD(Rho)x -0.2480655E-15 GRAD(Rho)y 0.2043287E-14 GRAD(Rho)z -0.7173861E-16 Laplacian 0.8840098E+00 (-1/4)Del**2(Rho)) -0.2210025E+00 Diamond 0.2947921E+01 Metallicity 0.6755516E+01 Ellipticity 0.1140643E-01 Gb(Abramov) 0.3961659E+00 Vb(Abramov) -0.5713294E+00 Hb(Abramov) -0.1751635E+00 Ex_ueg -0.1043887E+00 Ec_ueg -0.1378599E-01 Delta_ex -0.1055188E+00 Delta_ec 0.1945531E-01 Delta_et -0.2677795E+00 Pxc 0.7572089E+01 Qxc -0.5423653E+01 3,-1 168 3 -1 2.808416 1.699464 0.870844 Rho 0.1438316E+00 |GRAD(Rho)| 0.5251847E-13 GRAD(Rho)x -0.4099128E-13 GRAD(Rho)y 0.3025454E-13 GRAD(Rho)z 0.1275022E-13 Laplacian 0.6025457E+00 (-1/4)Del**2(Rho)) -0.1506364E+00 Diamond 0.1165486E+01 Metallicity 0.4515580E+01 Ellipticity 0.1549232E-01 Gb(Abramov) 0.2137928E+00 Vb(Abramov) -0.2769491E+00 Hb(Abramov) -0.6315634E-01 Ex_ueg -0.5565755E-01 Ec_ueg -0.8049823E-02 Delta_ex -0.6409236E-01 Delta_ec 0.1553173E-01 Delta_et -0.2057060E+00 Pxc 0.6914133E+01 Qxc -0.4126544E+01 3,-1 169 3 -1 -3.192617 2.201560 2.282752 Rho 0.2290557E+00 |GRAD(Rho)| 0.3723488E-15 GRAD(Rho)x -0.1421931E-15 GRAD(Rho)y -0.9042246E-16 GRAD(Rho)z -0.3320369E-15 Laplacian 0.8564943E+00 (-1/4)Del**2(Rho)) -0.2141236E+00 Diamond 0.2850355E+01 Metallicity 0.6899068E+01 Ellipticity 0.8723421E-02 Gb(Abramov) 0.3889579E+00 Vb(Abramov) -0.5637922E+00 Hb(Abramov) -0.1748343E+00 Ex_ueg -0.1035078E+00 Ec_ueg -0.1368584E-01 Delta_ex -0.1021557E+00 Delta_ec 0.1904622E-01 Delta_et -0.2627659E+00 Pxc 0.7563129E+01 Qxc -0.5363567E+01 3,-1 170 3 -1 0.347434 -0.075198 -0.547272 Rho 0.1365164E+00 |GRAD(Rho)| 0.4324366E-12 GRAD(Rho)x -0.2564728E-12 GRAD(Rho)y 0.3615020E-13 GRAD(Rho)z 0.3462893E-12 Laplacian 0.7041411E+00 (-1/4)Del**2(Rho)) -0.1760353E+00 Diamond 0.1532479E+01 Metallicity 0.3542106E+01 Ellipticity 0.4984530E-02 Gb(Abramov) 0.2212794E+00 Vb(Abramov) -0.2665236E+00 Hb(Abramov) -0.4524418E-01 Ex_ueg -0.5191564E-01 Ec_ueg -0.7586039E-02 Delta_ex -0.7681420E-01 Delta_ec 0.2348928E-01 Delta_et -0.3188376E+00 Pxc 0.6843576E+01 Qxc -0.3270181E+01 3,-1 171 3 -1 -0.852162 3.527445 0.722976 Rho 0.1524355E+00 |GRAD(Rho)| 0.2252926E-15 GRAD(Rho)x 0.2096576E-15 GRAD(Rho)y 0.7951098E-16 GRAD(Rho)z 0.2187378E-16 Laplacian 0.5964381E+00 (-1/4)Del**2(Rho)) -0.1491095E+00 Diamond 0.1235916E+01 Metallicity 0.5025639E+01 Ellipticity 0.4574902E-01 Gb(Abramov) 0.2243015E+00 Vb(Abramov) -0.2994934E+00 Hb(Abramov) -0.7519193E-01 Ex_ueg -0.6014043E-01 Ec_ueg -0.8599602E-02 Delta_ex -0.6434154E-01 Delta_ec 0.1513555E-01 Delta_et -0.2020804E+00 Pxc 0.6993396E+01 Qxc -0.4251022E+01 3,-1 172 3 -1 1.794853 2.338700 -1.565229 Rho 0.1334577E+00 |GRAD(Rho)| 0.3311309E-15 GRAD(Rho)x 0.1857780E-15 GRAD(Rho)y -0.2216109E-15 GRAD(Rho)z -0.1613157E-15 Laplacian 0.5661900E+00 (-1/4)Del**2(Rho)) -0.1415475E+00 Diamond 0.9978951E+00 Metallicity 0.4241864E+01 Ellipticity 0.8174731E-02 Gb(Abramov) 0.1944359E+00 Vb(Abramov) -0.2473243E+00 Hb(Abramov) -0.5288838E-01 Ex_ueg -0.5037051E-01 Ec_ueg -0.7393131E-02 Delta_ex -0.5910408E-01 Delta_ec 0.1479774E-01 Delta_et -0.1936218E+00 Pxc 0.6813150E+01 Qxc -0.3994128E+01 3,-1 173 3 -1 1.806161 2.338470 1.562382 Rho 0.1324913E+00 |GRAD(Rho)| 0.3047725E-15 GRAD(Rho)x 0.1621560E-15 GRAD(Rho)y -0.2352041E-15 GRAD(Rho)z 0.1061637E-15 Laplacian 0.5609564E+00 (-1/4)Del**2(Rho)) -0.1402391E+00 Diamond 0.9801208E+00 Metallicity 0.4229896E+01 Ellipticity 0.8273966E-02 Gb(Abramov) 0.1923589E+00 Vb(Abramov) -0.2444786E+00 Hb(Abramov) -0.5211976E-01 Ex_ueg -0.4988480E-01 Ec_ueg -0.7332312E-02 Delta_ex -0.5845548E-01 Delta_ec 0.1468751E-01 Delta_et -0.1919592E+00 Pxc 0.6803420E+01 Qxc -0.3979945E+01 3,-1 174 3 -1 -0.062378 -0.001544 -4.461177 Rho 0.2219483E+00 |GRAD(Rho)| 0.8028088E-16 GRAD(Rho)x 0.1917683E-16 GRAD(Rho)y 0.6488272E-18 GRAD(Rho)z -0.7795414E-16 Laplacian 0.8268066E+00 (-1/4)Del**2(Rho)) -0.2067017E+00 Diamond 0.2656333E+01 Metallicity 0.6781031E+01 Ellipticity 0.9001515E-03 Gb(Abramov) 0.3714095E+00 Vb(Abramov) -0.5361173E+00 Hb(Abramov) -0.1647078E+00 Ex_ueg -0.9924781E-01 Ec_ueg -0.1320019E-01 Delta_ex -0.9785344E-01 Delta_ec 0.1862994E-01 Delta_et -0.2569428E+00 Pxc 0.7518667E+01 Qxc -0.5252482E+01 3,-1 175 3 -1 0.076897 4.497879 0.008963 Rho 0.2306147E+00 |GRAD(Rho)| 0.9382562E-15 GRAD(Rho)x -0.3888762E-15 GRAD(Rho)y 0.6957325E-15 GRAD(Rho)z -0.4950315E-15 Laplacian 0.8614725E+00 (-1/4)Del**2(Rho)) -0.2153681E+00 Diamond 0.2893636E+01 Metallicity 0.6937186E+01 Ellipticity 0.9892479E-03 Gb(Abramov) 0.3925869E+00 Vb(Abramov) -0.5698057E+00 Hb(Abramov) -0.1772188E+00 Ex_ueg -0.1044482E+00 Ec_ueg -0.1379275E-01 Delta_ex -0.1029490E+00 Delta_ec 0.1915131E-01 Delta_et -0.2644282E+00 Pxc 0.7572691E+01 Qxc -0.5375559E+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 76 137 114 72 94 138 112 136 69 170 111 115 127 113 134 91 174 152 154 153 171 155 175 140 161 121 101 128 166 67 124 172 99 89 102 62 163 107 158 66 157 150 54 151 146 167 147 149 131 148 144 55 143 63 162 108 159 164 169 71 168 173 100 96 103 118 160 120 123 129 165 122 119 133 65 135 116 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 18 21 21 22 25 28 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 20 28 36 24 27 37 2.317865 1.929840 1.913922 1.951694 1.938002 1.754979 1.666103 1.645975 1.661277 1.670153 2.372681 1.907673 1.949548 1.929622 1.974527 1.745900 2.375373 1.927251 1.929614 1.919755 1.922771 1.758191 2.392530 1.939105 1.751395 2.176573 1.983256 1.767041 2.474330 1.947974 1.959678 1.851961 1.940894 1.754884 2.372237 1.819092 1.935650 1.963798 2.020385 1.761433 2.257437 2.219378 1.964238 1.957435 1.757845 1.770659 2.257411 2.211085 1.974971 1.947886 1.758871 1.770908 2.375480 1.815783 1.950661 1.951022 2.023946 1.760888 2.493572 1.929047 1.962850 1.849227 1.959632 1.754231 2.359335 1.933537 1.751649 2.173272 1.996892 1.768353 3.264494 3.036871 3.193784 3.184697 3.183065 3.200897 2.318531 1.930315 1.914333 1.952196 1.938543 1.754990 1.666126 1.646033 1.661291 1.670155 2.373393 1.908204 1.950170 1.930320 1.975247 1.745923 2.376098 1.927613 1.929972 1.920185 1.923201 1.758204 2.393227 1.939474 1.751421 2.177014 1.983772 1.767058 2.474952 1.948402 1.960086 1.852327 1.941342 1.754895 2.372809 1.819450 1.935986 1.964261 2.020859 1.761446 2.258363 2.219732 1.964637 1.957941 1.757856 1.770681 2.258351 2.211452 1.975398 1.948379 1.758888 1.770929 2.376069 1.816143 1.950950 1.951478 2.024415 1.760903 2.494132 1.929439 1.963245 1.849596 1.960114 1.754241 2.360036 1.933912 1.751682 2.173717 1.997393 1.768370 3.267041 3.050164 3.196038 3.187632 3.186114 3.203064 31 26 26 23 25 21 25 22 21 23 28 24 23 28 23 21 27 23 23 23 23 23 27 23 24 25 25 23 29 25 23 23 23 22 30 22 23 23 25 22 27 25 25 23 22 23 27 25 25 23 22 23 31 22 23 23 25 23 29 23 23 23 23 22 29 23 24 25 24 22 35 33 35 35 35 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 46 47 48 49 50 51 W Si Mo W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.4369 2.3684 2.2871 2.4516 2.3292 2.4055 2.4103 2.3638 2.3649 2.4102 2.4154 2.3217 -1.1620 -1.1164 -1.1571 -1.1603 -0.9184 -0.9954 -0.9189 -0.9764 -0.7791 -0.9715 -0.9429 -0.9697 -0.9363 -0.9832 -0.9706 -0.7823 -0.9662 -1.0151 -0.9654 -0.9974 -0.9881 -0.9528 -0.9948 -0.8262 -0.8266 -0.9952 -0.9980 -0.9518 -0.8370 -0.8729 -0.7605 -0.8527 -0.8726 -0.8449 -0.8584 -0.8727 -0.8714 -0.8581 -0.8455 2.1085 2.3223 1.9646 2.0975 2.1388 2.1098 2.1056 2.1448 2.1419 2.1090 2.1089 2.1418 1.8981 1.8985 1.8995 1.8956 1.9427 1.9302 1.9427 1.9295 1.9658 1.9300 1.9346 1.9301 1.9335 1.9290 1.9302 1.9653 1.9427 1.9380 1.9437 1.9383 1.9374 1.9413 1.9382 1.9529 1.9529 1.9381 1.9381 1.9392 1.9576 1.9520 1.9675 1.9540 1.9522 1.9565 1.9544 1.9504 1.9504 1.9547 1.9568 6.1035 6.7293 6.0986 6.0907 6.1203 6.1081 6.0996 6.1011 6.0991 6.1018 6.1041 6.1214 5.2358 5.1911 5.2299 5.2360 4.9448 5.0353 4.9454 5.0173 4.7781 5.0126 4.9809 5.0099 4.9750 5.0248 5.0114 4.7819 4.9936 5.0446 4.9919 5.0274 5.0194 4.9823 5.0268 4.8412 4.8415 5.0273 5.0286 4.9832 4.8466 4.8902 4.7625 4.8665 4.8895 4.8556 4.8723 4.8918 4.8905 4.8716 4.8558 3.3207 0.5800 3.6498 3.3298 3.3829 3.3467 3.3545 3.3613 3.3650 3.3489 3.3418 3.3861 0.0280 0.0268 0.0277 0.0286 0.0309 0.0300 0.0307 0.0296 0.0352 0.0289 0.0274 0.0298 0.0277 0.0294 0.0289 0.0351 0.0299 0.0326 0.0298 0.0317 0.0314 0.0291 0.0298 0.0321 0.0322 0.0298 0.0312 0.0293 0.0327 0.0308 0.0305 0.0322 0.0309 0.0328 0.0317 0.0304 0.0305 0.0318 0.0329 14.0304 0.0000 0.0000 14.0304 14.0288 14.0299 14.0301 14.0291 14.0291 14.0301 14.0299 14.0289 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 W Si Mo W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.517006 1.779102 3.180829 2.509639 2.468132 2.500679 2.492791 2.496993 2.496565 2.493247 2.499474 2.469665 -1.060287 -1.017712 -1.104170 -1.065369 -0.952488 -0.991712 -0.952096 -0.983096 -0.844529 -0.987292 -1.096811 -0.981803 -1.093325 -0.978318 -0.986788 -0.847727 -0.980211 -0.987669 -0.979080 -0.989493 -0.982877 -1.095931 -0.994220 -0.880489 -0.881062 -0.994561 -0.985818 -1.086870 -0.880933 -0.927722 -1.036066 -0.903036 -0.927067 -0.890995 -0.908883 -0.924532 -0.923168 -0.908550 -0.891367 1.931627 1.386962 2.355869 1.923731 1.930524 1.927124 1.921199 1.949783 1.956200 1.917671 1.923945 1.934779 -0.722094 -0.718101 -0.782771 -0.724408 -0.740357 -0.727536 -0.739613 -0.734677 -0.733406 -0.733797 -0.819383 -0.731799 -0.826676 -0.716658 -0.731784 -0.738648 -0.837208 -0.814090 -0.836292 -0.820139 -0.816225 -0.896357 -0.838745 -0.789790 -0.793762 -0.835385 -0.816798 -0.896816 -0.800257 -0.850914 -0.836284 -0.823799 -0.854129 -0.804585 -0.824887 -0.859874 -0.855767 -0.826549 -0.809056 2.034556 1.340157 2.451317 2.025659 2.020149 2.034280 2.026869 2.048269 2.054911 2.023368 2.032702 2.021735 -0.788814 -0.774276 -0.832725 -0.792590 -0.801795 -0.823004 -0.803891 -0.831531 -0.744069 -0.816885 -0.913387 -0.807746 -0.902347 -0.811148 -0.815913 -0.747868 -0.855541 -0.855819 -0.859244 -0.862689 -0.847918 -0.941136 -0.871818 -0.776565 -0.781600 -0.867475 -0.861730 -0.930159 -0.763403 -0.818895 -0.797740 -0.790057 -0.825756 -0.767467 -0.787502 -0.841462 -0.837604 -0.789622 -0.774784 2.06045445 0.74345793 -1.09903000 2.45072830 -26.10252626 -1.64627073 -0.02698773 15.20067541 0.73946518 10.90185085 -373.7405 405.5255 -9.6671 -407.5971 -76.6481 -462.1275 Apr19-2024 20:43:24 Nodes: 1 Procs: 1 Apr19-2024 20:43:25 Nodes: 1 Procs: 1 0 Apr19-2024 20:43:26 Nodes: 1 Procs: 1 Apr19-2024 20:43:26 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr19-2024 20:43:27 Nodes: 1 Procs: 1 Apr19-2024 20:43:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr19-2024 20:43:27 Nodes: 1 Procs: 1 Apr19-2024 20:43:28 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr19-2024 20:43:30 Nodes: 1 Procs: 28 *** (NO TITLE) *** -8 -16.40320574 -16.80827339 -16.77018730 -16.81765979 -16.91727208 -16.95571025 -16.96811748 -16.97115630 -16.97727538 -16.97885413 -16.98028227 -16.98151506 -16.98195331 -16.98253009 -16.98263960 -16.98280956 -16.98283470 -16.98284626 -16.98285743 -16.98287195 GEOMETRY CONVERGED