ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov02-2023 07:10:49 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.53 0.04 0.61 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Nov02-2023 07:10:49 Nodes: 1 Procs: 1 Nov02-2023 07:10:49 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov02-2023 07:10:50 Phosphorus (TZP, 1s 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 Nov02-2023 07:10:49 Nodes: 1 Procs: 1 Nov02-2023 07:10:49 Nodes: 1 Procs: 1 0 Nov02-2023 07:10:50 Nodes: 1 Procs: 1 Nov02-2023 07:10:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov02-2023 07:10:51 Phosphorus (TZP, 1s frozen) kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 kimik2220 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.18 0.04 1.26 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Nov02-2023 07:10:49 Nodes: 1 Procs: 1 Nov02-2023 07:10:49 Nodes: 1 Procs: 1 0 Nov02-2023 07:10:50 Nodes: 1 Procs: 1 Nov02-2023 07:10:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Nov02-2023 07:10:51 Nodes: 1 Procs: 1 Nov02-2023 07:10:52 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Nov02-2023 07:10:53 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 2677.190361000006 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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.W ADF 2019 Nov02-2023 07:10:52 1 1 Tungsten TZP 4d t21.P ADF 2019 Nov02-2023 07:10:49 1 1 Phosphorus TZP 1s t21.O ADF 2019 Nov02-2023 07:10:50 1 1 Oxygen TZP 1s 1 1 -16.87054618 0.01797002 0.00100000 F 0.00476133 0.00066667 F 0.01797002 0.00476133 0.01267944 0.01000000 F 0.00377543 0.00666667 T Cartesian 2677.190361000006 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178.8039 180.7492 181.9062 182.5636 183.5246 184.7727 185.4024 188.4742 313.4752 322.5957 322.6012 354.6360 474.4564 474.4648 474.7378 474.7868 474.8233 474.8927 474.9255 475.1496 475.1679 475.1723 475.2485 477.2373 477.2739 477.3471 477.3604 477.4626 477.4908 477.5418 477.6222 477.8541 477.8597 478.0017 478.0442 478.0628 478.1094 478.2527 478.2597 478.3109 478.3566 478.4529 478.5587 478.5805 478.6855 479.6988 479.8325 480.1815 480.2576 480.4124 480.6881 480.7869 480.9224 481.0306 481.2333 482.0851 483.8168 484.0271 484.4129 484.7157 484.7263 484.8428 485.3340 485.4056 485.4671 485.5043 485.6607 485.8828 485.9509 486.2190 486.3287 486.3541 486.7074 486.9226 487.0186 487.2014 487.2264 487.4901 488.5184 488.6356 488.8007 488.9595 489.1149 489.1466 489.2513 489.8442 490.0932 490.1148 490.2692 923.2440 925.5757 926.1525 926.6696 927.5159 930.9577 932.8472 933.3093 934.1801 936.4304 937.6491 938.8790 938.9877 940.6064 941.6844 941.8684 942.3592 942.5584 944.9620 946.3251 946.3518 946.8291 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-1.264588 -0.903734 1.256973 0.000000 -3.025593 0.079173 1.613148 3.066892 -1.601516 0.000000 -3.025593 0.079173 -1.613148 3.074940 1.762819 0.000000 1.412971 -3.164442 -1.520291 1.166140 2.968188 1.305891 -1.165033 -1.288373 -2.935026 -1.149060 1.357459 2.958015 -1.149060 1.357459 -2.958015 -1.165033 -1.288373 2.935026 1.166140 2.968188 -1.305891 1.412971 -3.164442 1.520291 3.394505 0.104319 2.102050 -3.442232 -2.143293 0.000000 3.394505 0.104319 -2.102050 -3.394251 2.234471 0.000000 1.474887 1.389987 3.427985 1.540611 -1.279205 -3.469596 -1.467364 3.475782 1.338150 -1.801637 -3.642091 -1.667376 -1.801637 -3.642091 1.667376 -1.467364 3.475782 -1.338150 1.540611 -1.279205 3.469596 1.474887 1.389987 -3.427985 -0.191923 0.009629 5.261218 3.916844 -2.669875 -2.541203 -0.191923 0.009629 -5.261218 0.216267 5.323240 0.000000 3.916844 -2.669875 2.541203 3.760669 2.860893 -2.552200 -3.756302 2.525685 -2.807306 -3.874978 -2.288874 2.799810 -3.874978 -2.288874 -2.799810 -3.756302 2.525685 2.807306 3.760669 2.860893 2.552200 1 3 -3 0.104898 0.001107 3.542461 Rho 0.4361414E+07 3,-3 2 3 -3 0.104898 0.001107 -3.542461 Rho 0.4361414E+07 3,-3 3 3 -3 -0.099359 3.605419 0.000000 Rho 0.4361415E+07 3,-3 4 3 -3 2.526594 -1.853819 1.841704 Rho 0.4361415E+07 3,-3 5 3 -3 2.593016 1.753491 -1.876804 Rho 0.4361415E+07 3,-3 6 3 -3 -2.565867 1.839578 -1.723719 Rho 0.4361415E+07 3,-3 7 3 -3 -2.516412 -2.040033 1.711293 Rho 0.4361415E+07 3,-3 8 3 -3 -2.516412 -2.040033 -1.711293 Rho 0.4361415E+07 3,-3 9 3 -3 -2.565867 1.839578 1.723719 Rho 0.4361415E+07 3,-3 10 3 -3 2.593016 1.753491 1.876804 Rho 0.4361415E+07 3,-3 11 3 -3 2.526594 -1.853819 -1.841704 Rho 0.4361415E+07 3,-3 12 3 -3 -0.081566 -0.088084 0.000000 Rho 0.2439571E+04 3,-3 13 3 -3 0.848473 -0.094792 1.264588 Rho 0.3187891E+03 3,-3 14 3 -3 -1.028688 -1.312770 0.000000 Rho 0.3187753E+03 3,-3 15 3 -3 0.848473 -0.094792 -1.264588 Rho 0.3187892E+03 3,-3 16 3 -3 -0.903734 1.256973 0.000000 Rho 0.3187766E+03 3,-3 17 3 -3 -3.025593 0.079173 1.613148 Rho 0.3190039E+03 3,-3 18 3 -3 3.066892 -1.601516 0.000000 Rho 0.3188100E+03 3,-3 19 3 -3 -3.025593 0.079173 -1.613148 Rho 0.3190039E+03 3,-3 20 3 -3 3.074940 1.762819 0.000000 Rho 0.3188437E+03 3,-3 21 3 -3 1.412971 -3.164442 -1.520291 Rho 0.3193257E+03 3,-3 22 3 -3 1.166140 2.968188 1.305891 Rho 0.3188678E+03 3,-3 23 3 -3 -1.165033 -1.288373 -2.935026 Rho 0.3188319E+03 3,-3 24 3 -3 -1.149060 1.357459 2.958015 Rho 0.3188589E+03 3,-3 25 3 -3 -1.149060 1.357459 -2.958015 Rho 0.3188589E+03 3,-3 26 3 -3 -1.165033 -1.288373 2.935026 Rho 0.3188319E+03 3,-3 27 3 -3 1.166140 2.968188 -1.305891 Rho 0.3188678E+03 3,-3 28 3 -3 1.412971 -3.164442 1.520291 Rho 0.3193257E+03 3,-3 29 3 -3 3.394505 0.104319 2.102050 Rho 0.3190113E+03 3,-3 30 3 -3 -3.442232 -2.143293 0.000000 Rho 0.3188792E+03 3,-3 31 3 -3 3.394505 0.104319 -2.102050 Rho 0.3190113E+03 3,-3 32 3 -3 -3.394251 2.234471 0.000000 Rho 0.3189186E+03 3,-3 33 3 -3 1.474887 1.389987 3.427985 Rho 0.3189169E+03 3,-3 34 3 -3 1.540611 -1.279205 -3.469596 Rho 0.3189137E+03 3,-3 35 3 -3 -1.467364 3.475782 1.338150 Rho 0.3189386E+03 3,-3 36 3 -3 -1.801637 -3.642091 -1.667376 Rho 0.3192680E+03 3,-3 37 3 -3 -1.801637 -3.642091 1.667376 Rho 0.3192680E+03 3,-3 38 3 -3 -1.467364 3.475782 -1.338150 Rho 0.3189386E+03 3,-3 39 3 -3 1.540611 -1.279205 3.469596 Rho 0.3189137E+03 3,-3 40 3 -3 1.474887 1.389987 -3.427985 Rho 0.3189169E+03 3,-3 41 3 -3 -0.191923 0.009629 5.261218 Rho 0.3192875E+03 3,-3 42 3 -3 3.916844 -2.669875 -2.541203 Rho 0.3192284E+03 3,-3 43 3 -3 -0.191923 0.009629 -5.261218 Rho 0.3192875E+03 3,-3 44 3 -3 0.216267 5.323240 0.000000 Rho 0.3192676E+03 3,-3 45 3 -3 3.916844 -2.669875 2.541203 Rho 0.3192284E+03 3,-3 46 3 -3 3.760669 2.860893 -2.552200 Rho 0.3192749E+03 3,-3 47 3 -3 -3.756302 2.525685 -2.807306 Rho 0.3192586E+03 3,-3 48 3 -3 -3.874978 -2.288874 2.799810 Rho 0.3192276E+03 3,-3 49 3 -3 -3.874978 -2.288874 -2.799810 Rho 0.3192276E+03 3,-3 50 3 -3 -3.756302 2.525685 2.807306 Rho 0.3192586E+03 3,-3 51 3 -3 3.760669 2.860893 2.552200 Rho 0.3192748E+03 3,-3 52 3 -1 -1.797150 -1.629381 -2.348246 Rho 0.1284296E+00 |GRAD(Rho)| 0.3761670E-15 GRAD(Rho)x 0.2809439E-16 GRAD(Rho)y 0.2641388E-16 GRAD(Rho)z -0.3741853E-15 Laplacian 0.5356723E+00 (-1/4)Del**2(Rho)) -0.1339181E+00 Diamond 0.9118442E+00 Metallicity 0.4205550E+01 Ellipticity 0.1467542E-01 Gb(Abramov) 0.1831452E+00 Vb(Abramov) -0.2323724E+00 Hb(Abramov) -0.4922716E-01 Ex_ueg -0.4785626E-01 Ec_ueg -0.7077357E-02 Delta_ex -0.5552898E-01 Delta_ec 0.1435487E-01 Delta_et -0.1870781E+00 Pxc 0.6761883E+01 Qxc -0.3868303E+01 3,-1 53 3 -1 -3.250478 -2.173758 -2.298462 Rho 0.2308191E+00 |GRAD(Rho)| 0.3948729E-15 GRAD(Rho)x -0.2979388E-15 GRAD(Rho)y -0.1390489E-15 GRAD(Rho)z -0.2186836E-15 Laplacian 0.8507126E+00 (-1/4)Del**2(Rho)) -0.2126782E+00 Diamond 0.2872448E+01 Metallicity 0.7035310E+01 Ellipticity 0.2141361E-01 Gb(Abramov) 0.3911616E+00 Vb(Abramov) -0.5696450E+00 Hb(Abramov) -0.1784834E+00 Ex_ueg -0.1045717E+00 Ec_ueg -0.1380677E-01 Delta_ex -0.1017534E+00 Delta_ec 0.1902641E-01 Delta_et -0.2632170E+00 Pxc 0.7573940E+01 Qxc -0.5348005E+01 3,-1 54 3 -1 -2.990323 -2.087237 -0.793889 Rho 0.1408295E+00 |GRAD(Rho)| 0.1147349E-14 GRAD(Rho)x 0.2513181E-15 GRAD(Rho)y 0.2166202E-16 GRAD(Rho)z -0.1119276E-14 Laplacian 0.5434193E+00 (-1/4)Del**2(Rho)) -0.1358548E+00 Diamond 0.1034780E+01 Metallicity 0.4833935E+01 Ellipticity 0.3944602E-01 Gb(Abramov) 0.2000221E+00 Vb(Abramov) -0.2641894E+00 Hb(Abramov) -0.6416728E-01 Ex_ueg -0.5411402E-01 Ec_ueg -0.7859078E-02 Delta_ex -0.5761453E-01 Delta_ec 0.1427261E-01 Delta_et -0.1888388E+00 Pxc 0.6885543E+01 Qxc -0.4036719E+01 3,-1 55 3 -1 -2.990323 -2.087237 0.793889 Rho 0.1408295E+00 |GRAD(Rho)| 0.1847036E-15 GRAD(Rho)x 0.1511649E-15 GRAD(Rho)y -0.3891354E-16 GRAD(Rho)z -0.9874371E-16 Laplacian 0.5434193E+00 (-1/4)Del**2(Rho)) -0.1358548E+00 Diamond 0.1034780E+01 Metallicity 0.4833935E+01 Ellipticity 0.3944602E-01 Gb(Abramov) 0.2000221E+00 Vb(Abramov) -0.2641894E+00 Hb(Abramov) -0.6416728E-01 Ex_ueg -0.5411402E-01 Ec_ueg -0.7859078E-02 Delta_ex -0.5761453E-01 Delta_ec 0.1427261E-01 Delta_et -0.1888388E+00 Pxc 0.6885543E+01 Qxc -0.4036719E+01 3,-1 56 3 -1 -3.250478 -2.173758 2.298462 Rho 0.2308191E+00 |GRAD(Rho)| 0.1760014E-15 GRAD(Rho)x -0.1148170E-15 GRAD(Rho)y -0.1211189E-15 GRAD(Rho)z -0.5589062E-16 Laplacian 0.8507126E+00 (-1/4)Del**2(Rho)) -0.2126782E+00 Diamond 0.2872448E+01 Metallicity 0.7035310E+01 Ellipticity 0.2141361E-01 Gb(Abramov) 0.3911616E+00 Vb(Abramov) -0.5696450E+00 Hb(Abramov) -0.1784834E+00 Ex_ueg -0.1045717E+00 Ec_ueg -0.1380677E-01 Delta_ex -0.1017534E+00 Delta_ec 0.1902641E-01 Delta_et -0.2632170E+00 Pxc 0.7573940E+01 Qxc -0.5348005E+01 3,-1 57 3 -1 -1.797150 -1.629381 2.348246 Rho 0.1284296E+00 |GRAD(Rho)| 0.5584691E-15 GRAD(Rho)x 0.2497189E-15 GRAD(Rho)y 0.1923985E-15 GRAD(Rho)z 0.4609892E-15 Laplacian 0.5356723E+00 (-1/4)Del**2(Rho)) -0.1339181E+00 Diamond 0.9118442E+00 Metallicity 0.4205550E+01 Ellipticity 0.1467542E-01 Gb(Abramov) 0.1831452E+00 Vb(Abramov) -0.2323724E+00 Hb(Abramov) -0.4922716E-01 Ex_ueg -0.4785626E-01 Ec_ueg -0.7077357E-02 Delta_ex -0.5552898E-01 Delta_ec 0.1435487E-01 Delta_et -0.1870781E+00 Pxc 0.6761883E+01 Qxc -0.3868303E+01 3,-1 58 3 +1 1.699671 0.771721 -0.000000 Rho 0.6386435E-02 |GRAD(Rho)| 0.7437567E-17 GRAD(Rho)x -0.4371227E-17 GRAD(Rho)y -0.1566192E-17 GRAD(Rho)z -0.5810062E-17 Laplacian 0.2529272E-01 (-1/4)Del**2(Rho)) -0.6323179E-02 Diamond 0.4949356E-03 Metallicity 0.5989380E+00 Ellipticity -0.1410506E+01 Gb(Abramov) 0.4846652E-02 Vb(Abramov) -0.3370124E-02 Hb(Abramov) 0.1476528E-02 Ex_ueg -0.8751109E-03 Ec_ueg -0.2070562E-03 Delta_ex -0.1101793E-02 Delta_ec 0.4077822E-03 Delta_et -0.2534695E-02 Pxc 0.4226442E+01 Qxc -0.2701915E+01 3,+1 59 3 -1 -2.770239 -0.923113 -1.655170 Rho 0.7689832E-01 |GRAD(Rho)| 0.2193675E-12 GRAD(Rho)x 0.3178088E-13 GRAD(Rho)y -0.2166081E-12 GRAD(Rho)z -0.1389379E-13 Laplacian 0.3234033E+00 (-1/4)Del**2(Rho)) -0.8085082E-01 Diamond 0.2931969E+00 Metallicity 0.2962990E+01 Ellipticity 0.5112069E-02 Gb(Abramov) 0.9382723E-01 Vb(Abramov) -0.1068037E+00 Hb(Abramov) -0.1297642E-01 Ex_ueg -0.2415132E-01 Ec_ueg -0.3948394E-02 Delta_ex -0.2968954E-01 Delta_ec 0.9554305E-02 Delta_et -0.1122229E+00 Pxc 0.6116745E+01 Qxc -0.3107452E+01 3,-1 60 3 +1 -2.975674 -0.338804 0.000000 Rho 0.5317121E-02 |GRAD(Rho)| 0.1040489E-14 GRAD(Rho)x 0.9008231E-15 GRAD(Rho)y -0.5206914E-15 GRAD(Rho)z -0.3819951E-17 Laplacian 0.2172441E-01 (-1/4)Del**2(Rho)) -0.5431104E-02 Diamond 0.3979388E-03 Metallicity 0.5137983E+00 Ellipticity -0.1460733E+01 Gb(Abramov) 0.4085818E-02 Vb(Abramov) -0.2740532E-02 Hb(Abramov) 0.1345286E-02 Ex_ueg -0.6854152E-03 Ec_ueg -0.1605852E-03 Delta_ex -0.9627417E-03 Delta_ec 0.4514008E-03 Delta_et -0.2590541E-02 Pxc 0.4268234E+01 Qxc -0.2132787E+01 3,+1 61 3 -1 -2.770239 -0.923113 1.655170 Rho 0.7689832E-01 |GRAD(Rho)| 0.2193305E-12 GRAD(Rho)x 0.3176171E-13 GRAD(Rho)y -0.2165737E-12 GRAD(Rho)z 0.1388875E-13 Laplacian 0.3234033E+00 (-1/4)Del**2(Rho)) -0.8085082E-01 Diamond 0.2931969E+00 Metallicity 0.2962990E+01 Ellipticity 0.5112069E-02 Gb(Abramov) 0.9382723E-01 Vb(Abramov) -0.1068037E+00 Hb(Abramov) -0.1297642E-01 Ex_ueg -0.2415132E-01 Ec_ueg -0.3948394E-02 Delta_ex -0.2968954E-01 Delta_ec 0.9554305E-02 Delta_et -0.1122229E+00 Pxc 0.6116745E+01 Qxc -0.3107452E+01 3,-1 62 3 +1 -0.199913 -2.549418 -1.937899 Rho 0.2916311E-02 |GRAD(Rho)| 0.1141255E-11 GRAD(Rho)x -0.9215590E-12 GRAD(Rho)y -0.6556375E-12 GRAD(Rho)z 0.1527483E-12 Laplacian 0.1151558E-01 (-1/4)Del**2(Rho)) -0.2878894E-02 Diamond 0.1149816E-03 Metallicity 0.3562192E+00 Ellipticity -0.1527095E+01 Gb(Abramov) 0.2090182E-02 Vb(Abramov) -0.1301470E-02 Hb(Abramov) 0.7887118E-03 Ex_ueg -0.3077256E-03 Ec_ueg -0.5837565E-04 Delta_ex -0.4891137E-03 Delta_ec 0.3106861E-03 Delta_et -0.1455321E-02 Pxc 0.5271471E+01 Qxc -0.1574302E+01 3,+1 63 3 -1 -1.737790 -1.634596 -0.840940 Rho 0.4762960E-01 |GRAD(Rho)| 0.4876398E-12 GRAD(Rho)x 0.3061364E-12 GRAD(Rho)y 0.1603170E-12 GRAD(Rho)z 0.3440516E-12 Laplacian 0.1895695E+00 (-1/4)Del**2(Rho)) -0.4739238E-01 Diamond 0.9157384E-01 Metallicity 0.2274955E+01 Ellipticity 0.1792014E-01 Gb(Abramov) 0.4956417E-01 Vb(Abramov) -0.5173597E-01 Hb(Abramov) -0.2171798E-02 Ex_ueg -0.1275129E-01 Ec_ueg -0.2284272E-02 Delta_ex -0.1548892E-01 Delta_ec 0.5783130E-02 Delta_et -0.6024296E-01 Pxc 0.5582214E+01 Qxc -0.2678294E+01 3,-1 64 3 +1 -2.199865 -1.731723 -0.000000 Rho 0.2857232E-01 |GRAD(Rho)| 0.3369703E-15 GRAD(Rho)x -0.2958535E-15 GRAD(Rho)y -0.1610760E-15 GRAD(Rho)z -0.8614188E-17 Laplacian 0.1200818E+00 (-1/4)Del**2(Rho)) -0.3002045E-01 Diamond 0.2079903E-01 Metallicity 0.1532422E+01 Ellipticity -0.7898955E+01 Gb(Abramov) 0.2768096E-01 Vb(Abramov) -0.2534148E-01 Hb(Abramov) 0.2339482E-02 Ex_ueg -0.6451276E-02 Ec_ueg -0.1270203E-02 Delta_ex -0.7915508E-02 Delta_ec 0.2349529E-02 Delta_et -0.2137993E-01 Pxc 0.5078932E+01 Qxc -0.3368977E+01 3,+1 65 3 +3 -2.378441 -0.030042 0.000000 Rho 0.4910881E-02 |GRAD(Rho)| 0.4317000E-17 GRAD(Rho)x -0.1689208E-17 GRAD(Rho)y 0.3971612E-17 GRAD(Rho)z 0.9678948E-19 Laplacian 0.2050167E-01 (-1/4)Del**2(Rho)) -0.5125417E-02 Diamond 0.2081965E-03 Metallicity 0.4768952E+00 Ellipticity -0.6476201E+00 Gb(Abramov) 0.3824326E-02 Vb(Abramov) -0.2523235E-02 Hb(Abramov) 0.1301091E-02 Ex_ueg -0.6164969E-03 Ec_ueg -0.1430797E-03 Delta_ex -0.7699524E-03 Delta_ec 0.2066487E-03 Delta_et -0.1294036E-02 Pxc 0.4308767E+01 Qxc -0.3725900E+01 3,+3 66 3 -1 -1.737790 -1.634596 0.840940 Rho 0.4762960E-01 |GRAD(Rho)| 0.4873633E-12 GRAD(Rho)x 0.3059746E-12 GRAD(Rho)y 0.1602098E-12 GRAD(Rho)z -0.3438536E-12 Laplacian 0.1895695E+00 (-1/4)Del**2(Rho)) -0.4739238E-01 Diamond 0.9157384E-01 Metallicity 0.2274955E+01 Ellipticity 0.1792014E-01 Gb(Abramov) 0.4956417E-01 Vb(Abramov) -0.5173597E-01 Hb(Abramov) -0.2171798E-02 Ex_ueg -0.1275129E-01 Ec_ueg -0.2284272E-02 Delta_ex -0.1548892E-01 Delta_ec 0.5783130E-02 Delta_et -0.6024296E-01 Pxc 0.5582214E+01 Qxc -0.2678294E+01 3,-1 67 3 +1 -0.199913 -2.549418 1.937899 Rho 0.2916311E-02 |GRAD(Rho)| 0.1141250E-11 GRAD(Rho)x -0.9215503E-12 GRAD(Rho)y -0.6556395E-12 GRAD(Rho)z -0.1527516E-12 Laplacian 0.1151558E-01 (-1/4)Del**2(Rho)) -0.2878894E-02 Diamond 0.1149816E-03 Metallicity 0.3562192E+00 Ellipticity -0.1527095E+01 Gb(Abramov) 0.2090182E-02 Vb(Abramov) -0.1301470E-02 Hb(Abramov) 0.7887118E-03 Ex_ueg -0.3077256E-03 Ec_ueg -0.5837565E-04 Delta_ex -0.4891137E-03 Delta_ec 0.3106861E-03 Delta_et -0.1455321E-02 Pxc 0.5271471E+01 Qxc -0.1574302E+01 3,+1 68 3 +1 -1.726495 -0.005240 -0.747346 Rho 0.9423775E-02 |GRAD(Rho)| 0.4186243E-14 GRAD(Rho)x 0.1941341E-14 GRAD(Rho)y 0.3175446E-14 GRAD(Rho)z 0.1916343E-14 Laplacian 0.3977804E-01 (-1/4)Del**2(Rho)) -0.9944509E-02 Diamond 0.1306103E-02 Metallicity 0.7283577E+00 Ellipticity -0.1485422E+01 Gb(Abramov) 0.7836866E-02 Vb(Abramov) -0.5729223E-02 Hb(Abramov) 0.2107643E-02 Ex_ueg -0.1470116E-02 Ec_ueg -0.3419872E-03 Delta_ex -0.1899912E-02 Delta_ec 0.6310639E-03 Delta_et -0.4359415E-02 Pxc 0.4298747E+01 Qxc -0.3010650E+01 3,+1 69 3 +1 -1.726495 -0.005240 0.747346 Rho 0.9423775E-02 |GRAD(Rho)| 0.4190330E-14 GRAD(Rho)x 0.1944869E-14 GRAD(Rho)y 0.3176646E-14 GRAD(Rho)z -0.1919706E-14 Laplacian 0.3977804E-01 (-1/4)Del**2(Rho)) -0.9944509E-02 Diamond 0.1306103E-02 Metallicity 0.7283577E+00 Ellipticity -0.1485422E+01 Gb(Abramov) 0.7836866E-02 Vb(Abramov) -0.5729223E-02 Hb(Abramov) 0.2107643E-02 Ex_ueg -0.1470116E-02 Ec_ueg -0.3419872E-03 Delta_ex -0.1899912E-02 Delta_ec 0.6310639E-03 Delta_et -0.4359415E-02 Pxc 0.4298747E+01 Qxc -0.3010650E+01 3,+1 70 3 -1 -1.702706 1.518588 -0.845032 Rho 0.4016962E-01 |GRAD(Rho)| 0.1289979E-14 GRAD(Rho)x -0.1143603E-14 GRAD(Rho)y 0.4431566E-15 GRAD(Rho)z -0.3997875E-15 Laplacian 0.1562099E+00 (-1/4)Del**2(Rho)) -0.3905246E-01 Diamond 0.5796297E-01 Metallicity 0.2078425E+01 Ellipticity 0.2151131E-01 Gb(Abramov) 0.3956291E-01 Vb(Abramov) -0.4007335E-01 Hb(Abramov) -0.5104454E-03 Ex_ueg -0.1016051E-01 Ec_ueg -0.1879166E-02 Delta_ex -0.1212535E-01 Delta_ec 0.4575083E-02 Delta_et -0.4551013E-01 Pxc 0.5406923E+01 Qxc -0.2650302E+01 3,-1 71 3 -1 -1.702706 1.518588 0.845032 Rho 0.4016962E-01 |GRAD(Rho)| 0.1177219E-14 GRAD(Rho)x -0.1069859E-14 GRAD(Rho)y 0.4037459E-15 GRAD(Rho)z 0.2797074E-15 Laplacian 0.1562099E+00 (-1/4)Del**2(Rho)) -0.3905246E-01 Diamond 0.5796297E-01 Metallicity 0.2078425E+01 Ellipticity 0.2151131E-01 Gb(Abramov) 0.3956291E-01 Vb(Abramov) -0.4007335E-01 Hb(Abramov) -0.5104454E-03 Ex_ueg -0.1016051E-01 Ec_ueg -0.1879166E-02 Delta_ex -0.1212535E-01 Delta_ec 0.4575083E-02 Delta_et -0.4551013E-01 Pxc 0.5406923E+01 Qxc -0.2650302E+01 3,-1 72 3 +1 -0.557734 0.787176 1.572039 Rho 0.8618428E-02 |GRAD(Rho)| 0.2003225E-16 GRAD(Rho)x -0.9028648E-17 GRAD(Rho)y 0.7728622E-17 GRAD(Rho)z 0.1612584E-16 Laplacian 0.3574308E-01 (-1/4)Del**2(Rho)) -0.8935769E-02 Diamond 0.9839402E-03 Metallicity 0.6984490E+00 Ellipticity -0.1406359E+01 Gb(Abramov) 0.6997376E-02 Vb(Abramov) -0.5058983E-02 Hb(Abramov) 0.1938393E-02 Ex_ueg -0.1305036E-02 Ec_ueg -0.3058047E-03 Delta_ex -0.1644828E-02 Delta_ec 0.5227089E-03 Delta_et -0.3558628E-02 Pxc 0.4267547E+01 Qxc -0.3146737E+01 3,+1 73 3 -1 -1.807402 1.573760 2.369068 Rho 0.1403802E+00 |GRAD(Rho)| 0.4719964E-13 GRAD(Rho)x 0.4075509E-13 GRAD(Rho)y -0.2126646E-13 GRAD(Rho)z -0.1070358E-13 Laplacian 0.5820330E+00 (-1/4)Del**2(Rho)) -0.1455083E+00 Diamond 0.1095929E+01 Metallicity 0.4489267E+01 Ellipticity 0.1001343E-01 Gb(Abramov) 0.2058764E+00 Vb(Abramov) -0.2662445E+00 Hb(Abramov) -0.6036814E-01 Ex_ueg -0.5388397E-01 Ec_ueg -0.7830582E-02 Delta_ex -0.6157209E-01 Delta_ec 0.1514057E-01 Delta_et -0.1998994E+00 Pxc 0.6881222E+01 Qxc -0.4066696E+01 3,-1 74 3 -1 -1.807402 1.573760 -2.369068 Rho 0.1403802E+00 |GRAD(Rho)| 0.8083749E-13 GRAD(Rho)x -0.6085937E-13 GRAD(Rho)y 0.2435726E-13 GRAD(Rho)z 0.4730286E-13 Laplacian 0.5820330E+00 (-1/4)Del**2(Rho)) -0.1455083E+00 Diamond 0.1095929E+01 Metallicity 0.4489267E+01 Ellipticity 0.1001343E-01 Gb(Abramov) 0.2058764E+00 Vb(Abramov) -0.2662445E+00 Hb(Abramov) -0.6036814E-01 Ex_ueg -0.5388397E-01 Ec_ueg -0.7830582E-02 Delta_ex -0.6157209E-01 Delta_ec 0.1514057E-01 Delta_et -0.1998994E+00 Pxc 0.6881222E+01 Qxc -0.4066696E+01 3,-1 75 3 +1 -1.212006 2.308814 -0.684791 Rho 0.2435427E-01 |GRAD(Rho)| 0.1673273E-14 GRAD(Rho)x -0.1091565E-14 GRAD(Rho)y 0.8088656E-15 GRAD(Rho)z -0.9767626E-15 Laplacian 0.9648254E-01 (-1/4)Del**2(Rho)) -0.2412063E-01 Diamond 0.1304141E-01 Metallicity 0.1461469E+01 Ellipticity -0.5254422E+01 Gb(Abramov) 0.2195568E-01 Vb(Abramov) -0.1979073E-01 Hb(Abramov) 0.2164951E-02 Ex_ueg -0.5213770E-02 Ec_ueg -0.1056258E-02 Delta_ex -0.6056662E-02 Delta_ec 0.1811725E-02 Delta_et -0.1584654E-01 Pxc 0.4936077E+01 Qxc -0.3343036E+01 3,+1 76 3 +1 -1.212006 2.308814 0.684791 Rho 0.2435427E-01 |GRAD(Rho)| 0.1711013E-14 GRAD(Rho)x -0.1103318E-14 GRAD(Rho)y 0.8206408E-15 GRAD(Rho)z 0.1018235E-14 Laplacian 0.9648254E-01 (-1/4)Del**2(Rho)) -0.2412063E-01 Diamond 0.1304141E-01 Metallicity 0.1461469E+01 Ellipticity -0.5254422E+01 Gb(Abramov) 0.2195568E-01 Vb(Abramov) -0.1979073E-01 Hb(Abramov) 0.2164951E-02 Ex_ueg -0.5213770E-02 Ec_ueg -0.1056258E-02 Delta_ex -0.6056662E-02 Delta_ec 0.1811725E-02 Delta_et -0.1584654E-01 Pxc 0.4936077E+01 Qxc -0.3343036E+01 3,+1 77 3 +3 -0.186841 -2.276659 -1.488907 Rho 0.2647673E-02 |GRAD(Rho)| 0.4672499E-15 GRAD(Rho)x -0.2809561E-15 GRAD(Rho)y 0.1166892E-15 GRAD(Rho)z 0.3546403E-15 Laplacian 0.1058797E-01 (-1/4)Del**2(Rho)) -0.2646993E-02 Diamond 0.6684585E-04 Metallicity 0.3297926E+00 Ellipticity -0.5619085E+00 Gb(Abramov) 0.1910155E-02 Vb(Abramov) -0.1173317E-02 Hb(Abramov) 0.7368379E-03 Ex_ueg -0.2705230E-03 Ec_ueg -0.4713103E-04 Delta_ex -0.3852893E-03 Delta_ec 0.1849481E-03 Delta_et -0.8903417E-03 Pxc 0.5739805E+01 Qxc -0.2083229E+01 3,+3 78 3 +3 -0.186841 -2.276659 1.488907 Rho 0.2647673E-02 |GRAD(Rho)| 0.3941650E-17 GRAD(Rho)x 0.2339210E-17 GRAD(Rho)y -0.1707203E-17 GRAD(Rho)z 0.2673979E-17 Laplacian 0.1058797E-01 (-1/4)Del**2(Rho)) -0.2646993E-02 Diamond 0.6684585E-04 Metallicity 0.3297926E+00 Ellipticity -0.5619085E+00 Gb(Abramov) 0.1910155E-02 Vb(Abramov) -0.1173317E-02 Hb(Abramov) 0.7368379E-03 Ex_ueg -0.2705230E-03 Ec_ueg -0.4713103E-04 Delta_ex -0.3852893E-03 Delta_ec 0.1849481E-03 Delta_et -0.8903417E-03 Pxc 0.5739805E+01 Qxc -0.2083229E+01 3,+3 79 3 +1 2.107366 -0.192623 -1.664293 Rho 0.2135085E-01 |GRAD(Rho)| 0.1404337E-14 GRAD(Rho)x 0.6680899E-15 GRAD(Rho)y -0.1194912E-14 GRAD(Rho)z -0.3130575E-15 Laplacian 0.8247856E-01 (-1/4)Del**2(Rho)) -0.2061964E-01 Diamond 0.9087120E-02 Metallicity 0.1372874E+01 Ellipticity -0.3780877E+01 Gb(Abramov) 0.1846446E-01 Vb(Abramov) -0.1630927E-01 Hb(Abramov) 0.2155184E-02 Ex_ueg -0.4374603E-02 Ec_ueg -0.9068011E-03 Delta_ex -0.4973355E-02 Delta_ec 0.1496428E-02 Delta_et -0.1267100E-01 Pxc 0.4824215E+01 Qxc -0.3323484E+01 3,+1 80 3 +1 2.107366 -0.192623 1.664293 Rho 0.2135085E-01 |GRAD(Rho)| 0.1466921E-14 GRAD(Rho)x 0.7381162E-15 GRAD(Rho)y -0.1222588E-14 GRAD(Rho)z 0.3351423E-15 Laplacian 0.8247856E-01 (-1/4)Del**2(Rho)) -0.2061964E-01 Diamond 0.9087120E-02 Metallicity 0.1372874E+01 Ellipticity -0.3780877E+01 Gb(Abramov) 0.1846446E-01 Vb(Abramov) -0.1630927E-01 Hb(Abramov) 0.2155184E-02 Ex_ueg -0.4374603E-02 Ec_ueg -0.9068011E-03 Delta_ex -0.4973355E-02 Delta_ec 0.1496428E-02 Delta_et -0.1267100E-01 Pxc 0.4824215E+01 Qxc -0.3323484E+01 3,+1 81 3 -1 -0.573146 -0.677513 -3.203898 Rho 0.1507722E+00 |GRAD(Rho)| 0.7073243E-15 GRAD(Rho)x 0.4235978E-15 GRAD(Rho)y 0.5555994E-15 GRAD(Rho)z -0.1103718E-15 Laplacian 0.6408214E+00 (-1/4)Del**2(Rho)) -0.1602053E+00 Diamond 0.1299729E+01 Metallicity 0.4592806E+01 Ellipticity 0.2156508E-01 Gb(Abramov) 0.2294356E+00 Vb(Abramov) -0.2986658E+00 Hb(Abramov) -0.6923022E-01 Ex_ueg -0.5926704E-01 Ec_ueg -0.8492962E-02 Delta_ex -0.6883657E-01 Delta_ec 0.1611599E-01 Delta_et -0.2144040E+00 Pxc 0.6978372E+01 Qxc -0.4271321E+01 3,-1 82 3 -1 -0.189745 -3.368429 1.588860 Rho 0.4489050E-02 |GRAD(Rho)| 0.2190866E-17 GRAD(Rho)x 0.2126857E-17 GRAD(Rho)y 0.5227561E-18 GRAD(Rho)z -0.5567960E-19 Laplacian 0.1716868E-01 (-1/4)Del**2(Rho)) -0.4292170E-02 Diamond 0.5469307E-03 Metallicity 0.4903058E+00 Ellipticity 0.1321601E+00 Gb(Abramov) 0.3212193E-02 Vb(Abramov) -0.2132215E-02 Hb(Abramov) 0.1079977E-02 Ex_ueg -0.5469206E-03 Ec_ueg -0.1249912E-03 Delta_ex -0.1051190E-02 Delta_ec 0.9245041E-03 Delta_et -0.4703900E-02 Pxc 0.4375672E+01 Qxc -0.1137032E+01 3,-1 83 3 +1 -0.619768 -0.853726 -1.532709 Rho 0.9446202E-02 |GRAD(Rho)| 0.8281141E-17 GRAD(Rho)x 0.6388460E-17 GRAD(Rho)y 0.3834201E-17 GRAD(Rho)z -0.3614383E-17 Laplacian 0.4050594E-01 (-1/4)Del**2(Rho)) -0.1012649E-01 Diamond 0.1320719E-02 Metallicity 0.7181081E+00 Ellipticity -0.1455754E+01 Gb(Abramov) 0.7962975E-02 Vb(Abramov) -0.5799465E-02 Hb(Abramov) 0.2163510E-02 Ex_ueg -0.1474783E-02 Ec_ueg -0.3429988E-03 Delta_ex -0.1930422E-02 Delta_ec 0.6329585E-03 Delta_et -0.4381984E-02 Pxc 0.4299674E+01 Qxc -0.3049840E+01 3,+1 84 3 +1 -0.619768 -0.853726 1.532709 Rho 0.9446202E-02 |GRAD(Rho)| 0.6846261E-17 GRAD(Rho)x -0.5434756E-17 GRAD(Rho)y -0.4035704E-17 GRAD(Rho)z 0.1023630E-17 Laplacian 0.4050594E-01 (-1/4)Del**2(Rho)) -0.1012649E-01 Diamond 0.1320719E-02 Metallicity 0.7181081E+00 Ellipticity -0.1455754E+01 Gb(Abramov) 0.7962975E-02 Vb(Abramov) -0.5799465E-02 Hb(Abramov) 0.2163510E-02 Ex_ueg -0.1474783E-02 Ec_ueg -0.3429988E-03 Delta_ex -0.1930422E-02 Delta_ec 0.6329585E-03 Delta_et -0.4381984E-02 Pxc 0.4299674E+01 Qxc -0.3049840E+01 3,+1 85 3 -1 -0.189745 -3.368429 -1.588860 Rho 0.4489050E-02 |GRAD(Rho)| 0.1190201E-16 GRAD(Rho)x -0.1160721E-16 GRAD(Rho)y -0.2492342E-17 GRAD(Rho)z -0.8477597E-18 Laplacian 0.1716868E-01 (-1/4)Del**2(Rho)) -0.4292170E-02 Diamond 0.5469307E-03 Metallicity 0.4903058E+00 Ellipticity 0.1321601E+00 Gb(Abramov) 0.3212193E-02 Vb(Abramov) -0.2132215E-02 Hb(Abramov) 0.1079977E-02 Ex_ueg -0.5469206E-03 Ec_ueg -0.1249912E-03 Delta_ex -0.1051190E-02 Delta_ec 0.9245041E-03 Delta_et -0.4703900E-02 Pxc 0.4375672E+01 Qxc -0.1137032E+01 3,-1 86 3 -1 -0.573146 -0.677513 3.203898 Rho 0.1507722E+00 |GRAD(Rho)| 0.1186980E-15 GRAD(Rho)x 0.9199455E-16 GRAD(Rho)y -0.5258381E-17 GRAD(Rho)z 0.7482350E-16 Laplacian 0.6408214E+00 (-1/4)Del**2(Rho)) -0.1602053E+00 Diamond 0.1299729E+01 Metallicity 0.4592806E+01 Ellipticity 0.2156508E-01 Gb(Abramov) 0.2294356E+00 Vb(Abramov) -0.2986658E+00 Hb(Abramov) -0.6923022E-01 Ex_ueg -0.5926704E-01 Ec_ueg -0.8492962E-02 Delta_ex -0.6883657E-01 Delta_ec 0.1611599E-01 Delta_et -0.2144040E+00 Pxc 0.6978372E+01 Qxc -0.4271321E+01 3,-1 87 3 +1 0.552081 1.522457 0.848706 Rho 0.7571930E-02 |GRAD(Rho)| 0.2180504E-13 GRAD(Rho)x 0.2022024E-13 GRAD(Rho)y -0.3303077E-15 GRAD(Rho)z 0.8154299E-14 Laplacian 0.3113747E-01 (-1/4)Del**2(Rho)) -0.7784367E-02 Diamond 0.7537553E-03 Metallicity 0.6461612E+00 Ellipticity -0.1417043E+01 Gb(Abramov) 0.6027904E-02 Vb(Abramov) -0.4271441E-02 Hb(Abramov) 0.1756463E-02 Ex_ueg -0.1098147E-02 Ec_ueg -0.2592189E-03 Delta_ex -0.1405980E-02 Delta_ec 0.4887790E-03 Delta_et -0.3190143E-02 Pxc 0.4236370E+01 Qxc -0.2876516E+01 3,+1 88 3 +1 -0.078898 2.175341 2.023154 Rho 0.5399720E-02 |GRAD(Rho)| 0.7588810E-16 GRAD(Rho)x -0.5144689E-16 GRAD(Rho)y 0.4254615E-16 GRAD(Rho)z -0.3608387E-16 Laplacian 0.2221355E-01 (-1/4)Del**2(Rho)) -0.5553386E-02 Diamond 0.6114722E-03 Metallicity 0.5155617E+00 Ellipticity -0.6477789E+01 Gb(Abramov) 0.4179443E-02 Vb(Abramov) -0.2805500E-02 Hb(Abramov) 0.1373943E-02 Ex_ueg -0.6996487E-03 Ec_ueg -0.1641547E-03 Delta_ex -0.1152060E-02 Delta_ec 0.7548690E-03 Delta_et -0.4173100E-02 Pxc 0.4262129E+01 Qxc -0.1526173E+01 3,+1 89 3 +1 0.552081 1.522457 -0.848706 Rho 0.7571930E-02 |GRAD(Rho)| 0.1904297E-13 GRAD(Rho)x 0.1784934E-13 GRAD(Rho)y 0.1612504E-14 GRAD(Rho)z -0.6437050E-14 Laplacian 0.3113747E-01 (-1/4)Del**2(Rho)) -0.7784367E-02 Diamond 0.7537553E-03 Metallicity 0.6461612E+00 Ellipticity -0.1417043E+01 Gb(Abramov) 0.6027904E-02 Vb(Abramov) -0.4271441E-02 Hb(Abramov) 0.1756463E-02 Ex_ueg -0.1098147E-02 Ec_ueg -0.2592189E-03 Delta_ex -0.1405980E-02 Delta_ec 0.4887790E-03 Delta_et -0.3190143E-02 Pxc 0.4236370E+01 Qxc -0.2876516E+01 3,+1 90 3 +1 -0.078898 2.175341 -2.023154 Rho 0.5399720E-02 |GRAD(Rho)| 0.6267914E-17 GRAD(Rho)x 0.5380676E-17 GRAD(Rho)y 0.5410043E-18 GRAD(Rho)z 0.3168973E-17 Laplacian 0.2221355E-01 (-1/4)Del**2(Rho)) -0.5553386E-02 Diamond 0.6114722E-03 Metallicity 0.5155617E+00 Ellipticity -0.6477789E+01 Gb(Abramov) 0.4179443E-02 Vb(Abramov) -0.2805500E-02 Hb(Abramov) 0.1373943E-02 Ex_ueg -0.6996487E-03 Ec_ueg -0.1641547E-03 Delta_ex -0.1152060E-02 Delta_ec 0.7548690E-03 Delta_et -0.4173100E-02 Pxc 0.4262129E+01 Qxc -0.1526173E+01 3,+1 91 3 +3 0.039879 1.611442 -1.629061 Rho 0.4356472E-02 |GRAD(Rho)| 0.1096412E-16 GRAD(Rho)x 0.7892550E-17 GRAD(Rho)y -0.4523896E-17 GRAD(Rho)z 0.6119960E-17 Laplacian 0.1808724E-01 (-1/4)Del**2(Rho)) -0.4521810E-02 Diamond 0.1414584E-03 Metallicity 0.4427233E+00 Ellipticity -0.3020074E+00 Gb(Abramov) 0.3348192E-02 Vb(Abramov) -0.2174574E-02 Hb(Abramov) 0.1173618E-02 Ex_ueg -0.5254906E-03 Ec_ueg -0.1193252E-03 Delta_ex -0.6426715E-03 Delta_ec 0.1530806E-03 Delta_et -0.9681581E-03 Pxc 0.4403854E+01 Qxc -0.4198256E+01 3,+3 92 3 -1 0.869890 -0.676600 -3.482747 Rho 0.1488401E+00 |GRAD(Rho)| 0.8386079E-13 GRAD(Rho)x 0.5789737E-13 GRAD(Rho)y -0.1690369E-13 GRAD(Rho)z 0.5826484E-13 Laplacian 0.5966118E+00 (-1/4)Del**2(Rho)) -0.1491530E+00 Diamond 0.1193534E+01 Metallicity 0.4828227E+01 Ellipticity 0.5940976E-01 Gb(Abramov) 0.2194594E+00 Vb(Abramov) -0.2897658E+00 Hb(Abramov) -0.7030641E-01 Ex_ueg -0.5825656E-01 Ec_ueg -0.8369303E-02 Delta_ex -0.6390533E-01 Delta_ec 0.1508970E-01 Delta_et -0.2004804E+00 Pxc 0.6960743E+01 Qxc -0.4235030E+01 3,-1 93 3 -1 0.462561 -0.046455 -2.353468 Rho 0.4664921E-01 |GRAD(Rho)| 0.2474935E-15 GRAD(Rho)x -0.1058937E-15 GRAD(Rho)y -0.8180856E-17 GRAD(Rho)z -0.2235455E-15 Laplacian 0.1851772E+00 (-1/4)Del**2(Rho)) -0.4629430E-01 Diamond 0.8519178E-01 Metallicity 0.2249569E+01 Ellipticity 0.1150002E-01 Gb(Abramov) 0.4821991E-01 Vb(Abramov) -0.5014552E-01 Hb(Abramov) -0.1925606E-02 Ex_ueg -0.1240254E-01 Ec_ueg -0.2230509E-02 Delta_ex -0.1496818E-01 Delta_ec 0.5500800E-02 Delta_et -0.5695368E-01 Pxc 0.5560410E+01 Qxc -0.2721092E+01 3,-1 94 3 +3 -1.150457 0.000364 1.574470 Rho 0.5147292E-02 |GRAD(Rho)| 0.1557145E-14 GRAD(Rho)x 0.1094280E-15 GRAD(Rho)y 0.1694652E-16 GRAD(Rho)z -0.1553203E-14 Laplacian 0.2134053E-01 (-1/4)Del**2(Rho)) -0.5335133E-02 Diamond 0.1643217E-03 Metallicity 0.4954949E+00 Ellipticity -0.2929840E+00 Gb(Abramov) 0.3997344E-02 Vb(Abramov) -0.2659555E-02 Hb(Abramov) 0.1337789E-02 Ex_ueg -0.6563822E-03 Ec_ueg -0.1532569E-03 Delta_ex -0.7515322E-03 Delta_ec 0.1087525E-03 Delta_et -0.8227552E-03 Pxc 0.4282889E+01 Qxc -0.6910481E+01 3,+3 95 3 -1 0.291951 -0.091322 -0.512903 Rho 0.1974734E+00 |GRAD(Rho)| 0.2518122E-15 GRAD(Rho)x -0.1135576E-15 GRAD(Rho)y -0.1662592E-17 GRAD(Rho)z 0.2247472E-15 Laplacian 0.6609045E+00 (-1/4)Del**2(Rho)) -0.1652261E+00 Diamond 0.2071815E+01 Metallicity 0.6982144E+01 Ellipticity 0.4598882E-02 Gb(Abramov) 0.3024229E+00 Vb(Abramov) -0.4396196E+00 Hb(Abramov) -0.1371967E+00 Ex_ueg -0.8493041E-01 Ec_ueg -0.1154911E-01 Delta_ex -0.7746919E-01 Delta_ec 0.1818200E-01 Delta_et -0.2584014E+00 Pxc 0.7353846E+01 Qxc -0.4260764E+01 3,-1 96 3 +1 -2.129064 1.702200 0.000000 Rho 0.2419728E-01 |GRAD(Rho)| 0.2997537E-15 GRAD(Rho)x -0.2839714E-15 GRAD(Rho)y 0.9592711E-16 GRAD(Rho)z 0.3245090E-17 Laplacian 0.9342444E-01 (-1/4)Del**2(Rho)) -0.2335611E-01 Diamond 0.1206415E-01 Metallicity 0.1493127E+01 Ellipticity -0.4471759E+01 Gb(Abramov) 0.2138301E-01 Vb(Abramov) -0.1940992E-01 Hb(Abramov) 0.1973097E-02 Ex_ueg -0.5169006E-02 Ec_ueg -0.1048384E-02 Delta_ex -0.5803453E-02 Delta_ec 0.1662710E-02 Delta_et -0.1454037E-01 Pxc 0.4930452E+01 Qxc -0.3490357E+01 3,+1 97 3 +1 1.674002 -0.797994 -0.000000 Rho 0.8320495E-02 |GRAD(Rho)| 0.1122473E-16 GRAD(Rho)x 0.7050490E-18 GRAD(Rho)y -0.2784991E-17 GRAD(Rho)z -0.1085087E-16 Laplacian 0.3540403E-01 (-1/4)Del**2(Rho)) -0.8851007E-02 Diamond 0.9601410E-03 Metallicity 0.6649808E+00 Ellipticity -0.1401463E+01 Gb(Abramov) 0.6881629E-02 Vb(Abramov) -0.4912252E-02 Hb(Abramov) 0.1969377E-02 Ex_ueg -0.1245233E-02 Ec_ueg -0.2924917E-03 Delta_ex -0.1629554E-02 Delta_ec 0.5439198E-03 Delta_et -0.3648664E-02 Pxc 0.4257328E+01 Qxc -0.2995946E+01 3,+1 98 3 -1 0.291951 -0.091322 0.512903 Rho 0.1974734E+00 |GRAD(Rho)| 0.1252467E-12 GRAD(Rho)x -0.7919584E-13 GRAD(Rho)y 0.1864147E-13 GRAD(Rho)z -0.9522205E-13 Laplacian 0.6609045E+00 (-1/4)Del**2(Rho)) -0.1652261E+00 Diamond 0.2071815E+01 Metallicity 0.6982144E+01 Ellipticity 0.4598882E-02 Gb(Abramov) 0.3024229E+00 Vb(Abramov) -0.4396196E+00 Hb(Abramov) -0.1371967E+00 Ex_ueg -0.8493041E-01 Ec_ueg -0.1154911E-01 Delta_ex -0.7746919E-01 Delta_ec 0.1818200E-01 Delta_et -0.2584014E+00 Pxc 0.7353846E+01 Qxc -0.4260764E+01 3,-1 99 3 +3 -1.150457 0.000364 -1.574470 Rho 0.5147292E-02 |GRAD(Rho)| 0.1550850E-14 GRAD(Rho)x 0.1106527E-15 GRAD(Rho)y 0.1616390E-16 GRAD(Rho)z 0.1546813E-14 Laplacian 0.2134053E-01 (-1/4)Del**2(Rho)) -0.5335133E-02 Diamond 0.1643217E-03 Metallicity 0.4954949E+00 Ellipticity -0.2929840E+00 Gb(Abramov) 0.3997344E-02 Vb(Abramov) -0.2659555E-02 Hb(Abramov) 0.1337789E-02 Ex_ueg -0.6563822E-03 Ec_ueg -0.1532569E-03 Delta_ex -0.7515322E-03 Delta_ec 0.1087525E-03 Delta_et -0.8227552E-03 Pxc 0.4282889E+01 Qxc -0.6910481E+01 3,+3 100 3 -1 0.462561 -0.046455 2.353468 Rho 0.4664921E-01 |GRAD(Rho)| 0.2487182E-13 GRAD(Rho)x 0.1832311E-13 GRAD(Rho)y 0.1241662E-13 GRAD(Rho)z -0.1134454E-13 Laplacian 0.1851772E+00 (-1/4)Del**2(Rho)) -0.4629430E-01 Diamond 0.8519178E-01 Metallicity 0.2249569E+01 Ellipticity 0.1150002E-01 Gb(Abramov) 0.4821991E-01 Vb(Abramov) -0.5014552E-01 Hb(Abramov) -0.1925606E-02 Ex_ueg -0.1240254E-01 Ec_ueg -0.2230509E-02 Delta_ex -0.1496818E-01 Delta_ec 0.5500800E-02 Delta_et -0.5695368E-01 Pxc 0.5560410E+01 Qxc -0.2721092E+01 3,-1 101 3 -1 0.869890 -0.676600 3.482747 Rho 0.1488401E+00 |GRAD(Rho)| 0.2516737E-13 GRAD(Rho)x 0.2418901E-13 GRAD(Rho)y 0.4537793E-14 GRAD(Rho)z 0.5262777E-14 Laplacian 0.5966118E+00 (-1/4)Del**2(Rho)) -0.1491530E+00 Diamond 0.1193534E+01 Metallicity 0.4828227E+01 Ellipticity 0.5940976E-01 Gb(Abramov) 0.2194594E+00 Vb(Abramov) -0.2897658E+00 Hb(Abramov) -0.7030641E-01 Ex_ueg -0.5825656E-01 Ec_ueg -0.8369303E-02 Delta_ex -0.6390533E-01 Delta_ec 0.1508970E-01 Delta_et -0.2004804E+00 Pxc 0.6960743E+01 Qxc -0.4235030E+01 3,-1 102 3 +1 1.345399 -0.821364 -2.200982 Rho 0.2566320E-01 |GRAD(Rho)| 0.6389687E-16 GRAD(Rho)x 0.2117752E-16 GRAD(Rho)y -0.4745625E-16 GRAD(Rho)z -0.3717832E-16 Laplacian 0.9993466E-01 (-1/4)Del**2(Rho)) -0.2498367E-01 Diamond 0.1318233E-01 Metallicity 0.1539625E+01 Ellipticity -0.3323283E+01 Gb(Abramov) 0.2306669E-01 Vb(Abramov) -0.2114972E-01 Hb(Abramov) 0.1916975E-02 Ex_ueg -0.5590699E-02 Ec_ueg -0.1122163E-02 Delta_ex -0.6220478E-02 Delta_ec 0.1626950E-02 Delta_et -0.1446815E-01 Pxc 0.4982074E+01 Qxc -0.3823397E+01 3,+1 103 3 +1 -0.557734 0.787176 -1.572039 Rho 0.8618428E-02 |GRAD(Rho)| 0.1559036E-12 GRAD(Rho)x -0.1095908E-12 GRAD(Rho)y 0.6149309E-13 GRAD(Rho)z -0.9227345E-13 Laplacian 0.3574308E-01 (-1/4)Del**2(Rho)) -0.8935769E-02 Diamond 0.9839402E-03 Metallicity 0.6984490E+00 Ellipticity -0.1406359E+01 Gb(Abramov) 0.6997376E-02 Vb(Abramov) -0.5058983E-02 Hb(Abramov) 0.1938393E-02 Ex_ueg -0.1305036E-02 Ec_ueg -0.3058047E-03 Delta_ex -0.1644828E-02 Delta_ec 0.5227089E-03 Delta_et -0.3558628E-02 Pxc 0.4267547E+01 Qxc -0.3146737E+01 3,+1 104 3 +1 1.345399 -0.821364 2.200982 Rho 0.2566320E-01 |GRAD(Rho)| 0.4008577E-16 GRAD(Rho)x -0.2510175E-16 GRAD(Rho)y -0.5302882E-17 GRAD(Rho)z 0.3080017E-16 Laplacian 0.9993466E-01 (-1/4)Del**2(Rho)) -0.2498367E-01 Diamond 0.1318233E-01 Metallicity 0.1539625E+01 Ellipticity -0.3323283E+01 Gb(Abramov) 0.2306669E-01 Vb(Abramov) -0.2114972E-01 Hb(Abramov) 0.1916975E-02 Ex_ueg -0.5590699E-02 Ec_ueg -0.1122163E-02 Delta_ex -0.6220478E-02 Delta_ec 0.1626950E-02 Delta_et -0.1446815E-01 Pxc 0.4982074E+01 Qxc -0.3823397E+01 3,+1 105 3 -1 0.833614 0.734126 -3.461013 Rho 0.1383606E+00 |GRAD(Rho)| 0.1605123E-14 GRAD(Rho)x -0.1444401E-14 GRAD(Rho)y -0.6445446E-15 GRAD(Rho)z -0.2732901E-15 Laplacian 0.5500967E+00 (-1/4)Del**2(Rho)) -0.1375242E+00 Diamond 0.1012242E+01 Metallicity 0.4636550E+01 Ellipticity 0.3540472E-01 Gb(Abramov) 0.1979557E+00 Vb(Abramov) -0.2583873E+00 Hb(Abramov) -0.6043156E-01 Ex_ueg -0.5285285E-01 Ec_ueg -0.7702641E-02 Delta_ex -0.5792611E-01 Delta_ec 0.1424769E-01 Delta_et -0.1874649E+00 Pxc 0.6861652E+01 Qxc -0.4065651E+01 3,-1 106 3 +1 1.339317 0.751703 -2.163549 Rho 0.2214671E-01 |GRAD(Rho)| 0.1316072E-14 GRAD(Rho)x 0.1050987E-14 GRAD(Rho)y 0.7867122E-15 GRAD(Rho)z 0.9249450E-16 Laplacian 0.8238617E-01 (-1/4)Del**2(Rho)) -0.2059654E-01 Diamond 0.8584522E-02 Metallicity 0.1460857E+01 Ellipticity -0.2891816E+01 Gb(Abramov) 0.1874580E-01 Vb(Abramov) -0.1689505E-01 Hb(Abramov) 0.1850748E-02 Ex_ueg -0.4593363E-02 Ec_ueg -0.9461573E-03 Delta_ex -0.4893025E-02 Delta_ec 0.1275915E-02 Delta_et -0.1096891E-01 Pxc 0.4854756E+01 Qxc -0.3834914E+01 3,+1 107 3 +1 1.339317 0.751703 2.163549 Rho 0.2214671E-01 |GRAD(Rho)| 0.1312271E-14 GRAD(Rho)x 0.1031587E-14 GRAD(Rho)y 0.8084788E-15 GRAD(Rho)z -0.6516227E-16 Laplacian 0.8238617E-01 (-1/4)Del**2(Rho)) -0.2059654E-01 Diamond 0.8584522E-02 Metallicity 0.1460857E+01 Ellipticity -0.2891816E+01 Gb(Abramov) 0.1874580E-01 Vb(Abramov) -0.1689505E-01 Hb(Abramov) 0.1850748E-02 Ex_ueg -0.4593363E-02 Ec_ueg -0.9461573E-03 Delta_ex -0.4893025E-02 Delta_ec 0.1275915E-02 Delta_et -0.1096891E-01 Pxc 0.4854756E+01 Qxc -0.3834914E+01 3,+1 108 3 -1 0.833614 0.734126 3.461013 Rho 0.1383606E+00 |GRAD(Rho)| 0.1857194E-14 GRAD(Rho)x -0.1256888E-14 GRAD(Rho)y -0.1341199E-14 GRAD(Rho)z 0.2656837E-15 Laplacian 0.5500967E+00 (-1/4)Del**2(Rho)) -0.1375242E+00 Diamond 0.1012242E+01 Metallicity 0.4636550E+01 Ellipticity 0.3540472E-01 Gb(Abramov) 0.1979557E+00 Vb(Abramov) -0.2583873E+00 Hb(Abramov) -0.6043156E-01 Ex_ueg -0.5285285E-01 Ec_ueg -0.7702641E-02 Delta_ex -0.5792611E-01 Delta_ec 0.1424769E-01 Delta_et -0.1874649E+00 Pxc 0.6861652E+01 Qxc -0.4065651E+01 3,-1 109 3 +3 1.836642 0.013522 -2.532281 Rho 0.1169983E-01 |GRAD(Rho)| 0.2593248E-17 GRAD(Rho)x 0.1773418E-17 GRAD(Rho)y -0.6499633E-18 GRAD(Rho)z 0.1776927E-17 Laplacian 0.5324442E-01 (-1/4)Del**2(Rho)) -0.1331111E-01 Diamond 0.1080522E-02 Metallicity 0.7803779E+00 Ellipticity -0.4782441E+00 Gb(Abramov) 0.1060535E-01 Vb(Abramov) -0.7899599E-02 Hb(Abramov) 0.2705753E-02 Ex_ueg -0.1961663E-02 Ec_ueg -0.4457299E-03 Delta_ex -0.2306812E-02 Delta_ec 0.1680343E-03 Delta_et -0.1659501E-02 Pxc 0.4401013E+01 Qxc -0.1372822E+02 3,+3 110 3 +1 3.011504 0.076850 -0.000000 Rho 0.4589647E-02 |GRAD(Rho)| 0.2198645E-17 GRAD(Rho)x 0.7200942E-18 GRAD(Rho)y 0.1356670E-17 GRAD(Rho)z -0.1573198E-17 Laplacian 0.1856842E-01 (-1/4)Del**2(Rho)) -0.4642106E-02 Diamond 0.4245788E-03 Metallicity 0.4704031E+00 Ellipticity -0.5624969E+01 Gb(Abramov) 0.3458681E-02 Vb(Abramov) -0.2275256E-02 Hb(Abramov) 0.1183425E-02 Ex_ueg -0.5633229E-03 Ec_ueg -0.1292966E-03 Delta_ex -0.9483888E-03 Delta_ec 0.6565046E-03 Delta_et -0.3445494E-02 Pxc 0.4356827E+01 Qxc -0.1444603E+01 3,+1 111 3 +3 2.335023 0.073642 -0.000000 Rho 0.3736935E-02 |GRAD(Rho)| 0.3873158E-17 GRAD(Rho)x 0.2131079E-17 GRAD(Rho)y 0.2134614E-17 GRAD(Rho)z -0.2429666E-17 Laplacian 0.1542277E-01 (-1/4)Del**2(Rho)) -0.3855694E-02 Diamond 0.1035054E-03 Metallicity 0.4020777E+00 Ellipticity -0.2683016E+00 Gb(Abramov) 0.2828844E-02 Vb(Abramov) -0.1801994E-02 Hb(Abramov) 0.1026850E-02 Ex_ueg -0.4282912E-03 Ec_ueg -0.9296960E-04 Delta_ex -0.5345053E-03 Delta_ec 0.1440707E-03 Delta_et -0.8578666E-03 Pxc 0.4606788E+01 Qxc -0.3710020E+01 3,+3 112 3 +3 1.836642 0.013522 2.532281 Rho 0.1169983E-01 |GRAD(Rho)| 0.1804840E-16 GRAD(Rho)x -0.1317225E-17 GRAD(Rho)y 0.1720070E-16 GRAD(Rho)z -0.5305238E-17 Laplacian 0.5324442E-01 (-1/4)Del**2(Rho)) -0.1331111E-01 Diamond 0.1080522E-02 Metallicity 0.7803779E+00 Ellipticity -0.4782441E+00 Gb(Abramov) 0.1060535E-01 Vb(Abramov) -0.7899599E-02 Hb(Abramov) 0.2705753E-02 Ex_ueg -0.1961663E-02 Ec_ueg -0.4457299E-03 Delta_ex -0.2306812E-02 Delta_ec 0.1680343E-03 Delta_et -0.1659501E-02 Pxc 0.4401013E+01 Qxc -0.1372822E+02 3,+3 113 3 +1 2.042291 0.032744 -2.843322 Rho 0.1231519E-01 |GRAD(Rho)| 0.5245469E-17 GRAD(Rho)x 0.4486595E-17 GRAD(Rho)y 0.1382905E-17 GRAD(Rho)z -0.2339441E-17 Laplacian 0.5796487E-01 (-1/4)Del**2(Rho)) -0.1449122E-01 Diamond 0.2108193E-02 Metallicity 0.7807586E+00 Ellipticity -0.1212121E+01 Gb(Abramov) 0.1154650E-01 Vb(Abramov) -0.8601786E-02 Hb(Abramov) 0.2944715E-02 Ex_ueg -0.2100422E-02 Ec_ueg -0.4741387E-03 Delta_ex -0.2785457E-02 Delta_ec 0.6035792E-03 Delta_et -0.4667342E-02 Pxc 0.4429973E+01 Qxc -0.4614898E+01 3,+1 114 3 +1 2.042291 0.032744 2.843322 Rho 0.1231519E-01 |GRAD(Rho)| 0.1595496E-16 GRAD(Rho)x -0.8849305E-17 GRAD(Rho)y 0.1226549E-16 GRAD(Rho)z 0.5080211E-17 Laplacian 0.5796487E-01 (-1/4)Del**2(Rho)) -0.1449122E-01 Diamond 0.2108193E-02 Metallicity 0.7807586E+00 Ellipticity -0.1212121E+01 Gb(Abramov) 0.1154650E-01 Vb(Abramov) -0.8601786E-02 Hb(Abramov) 0.2944715E-02 Ex_ueg -0.2100422E-02 Ec_ueg -0.4741387E-03 Delta_ex -0.2785457E-02 Delta_ec 0.6035792E-03 Delta_et -0.4667342E-02 Pxc 0.4429973E+01 Qxc -0.4614898E+01 3,+1 115 3 -1 3.224619 2.351870 -2.242426 Rho 0.2390991E+00 |GRAD(Rho)| 0.5995995E-14 GRAD(Rho)x 0.5173813E-14 GRAD(Rho)y -0.1798258E-14 GRAD(Rho)z -0.2439238E-14 Laplacian 0.8554369E+00 (-1/4)Del**2(Rho)) -0.2138592E+00 Diamond 0.3025286E+01 Metallicity 0.7419735E+01 Ellipticity 0.6726487E-02 Gb(Abramov) 0.4070359E+00 Vb(Abramov) -0.6002127E+00 Hb(Abramov) -0.1931767E+00 Ex_ueg -0.1096030E+00 Ec_ueg -0.1437686E-01 Delta_ex -0.1033250E+00 Delta_ec 0.1904747E-01 Delta_et -0.2643737E+00 Pxc 0.7623568E+01 Qxc -0.5424606E+01 3,-1 116 3 -1 3.224619 2.351870 2.242426 Rho 0.2390991E+00 |GRAD(Rho)| 0.6112548E-14 GRAD(Rho)x 0.5277354E-14 GRAD(Rho)y -0.1716726E-14 GRAD(Rho)z 0.2562349E-14 Laplacian 0.8554369E+00 (-1/4)Del**2(Rho)) -0.2138592E+00 Diamond 0.3025286E+01 Metallicity 0.7419735E+01 Ellipticity 0.6726487E-02 Gb(Abramov) 0.4070359E+00 Vb(Abramov) -0.6002127E+00 Hb(Abramov) -0.1931767E+00 Ex_ueg -0.1096030E+00 Ec_ueg -0.1437686E-01 Delta_ex -0.1033250E+00 Delta_ec 0.1904747E-01 Delta_et -0.2643737E+00 Pxc 0.7623568E+01 Qxc -0.5424606E+01 3,-1 117 3 +1 -1.763455 0.020046 -2.462705 Rho 0.1178607E-01 |GRAD(Rho)| 0.3894564E-13 GRAD(Rho)x -0.1624236E-13 GRAD(Rho)y 0.3249102E-13 GRAD(Rho)z 0.1404572E-13 Laplacian 0.5765420E-01 (-1/4)Del**2(Rho)) -0.1441355E-01 Diamond 0.2264785E-02 Metallicity 0.7295653E+00 Ellipticity -0.1285174E+01 Gb(Abramov) 0.1136164E-01 Vb(Abramov) -0.8309725E-02 Hb(Abramov) 0.3051912E-02 Ex_ueg -0.1980967E-02 Ec_ueg -0.4497025E-03 Delta_ex -0.2823766E-02 Delta_ec 0.7540885E-03 Delta_et -0.5625112E-02 Pxc 0.4405062E+01 Qxc -0.3744608E+01 3,+1 118 3 +1 -1.763455 0.020046 2.462705 Rho 0.1178607E-01 |GRAD(Rho)| 0.3655892E-13 GRAD(Rho)x -0.1456412E-13 GRAD(Rho)y 0.3095360E-13 GRAD(Rho)z -0.1289637E-13 Laplacian 0.5765420E-01 (-1/4)Del**2(Rho)) -0.1441355E-01 Diamond 0.2264785E-02 Metallicity 0.7295653E+00 Ellipticity -0.1285174E+01 Gb(Abramov) 0.1136164E-01 Vb(Abramov) -0.8309725E-02 Hb(Abramov) 0.3051912E-02 Ex_ueg -0.1980967E-02 Ec_ueg -0.4497025E-03 Delta_ex -0.2823766E-02 Delta_ec 0.7540885E-03 Delta_et -0.5625112E-02 Pxc 0.4405062E+01 Qxc -0.3744608E+01 3,+1 119 3 +1 -0.242786 -2.557924 -1.172045 Rho 0.2760310E-02 |GRAD(Rho)| 0.6028920E-17 GRAD(Rho)x 0.1203814E-17 GRAD(Rho)y 0.5903249E-17 GRAD(Rho)z 0.2244146E-18 Laplacian 0.1091492E-01 (-1/4)Del**2(Rho)) -0.2728729E-02 Diamond 0.8737005E-04 Metallicity 0.3429170E+00 Ellipticity -0.1304417E+01 Gb(Abramov) 0.1975108E-02 Vb(Abramov) -0.1221486E-02 Hb(Abramov) 0.7536218E-03 Ex_ueg -0.2859755E-03 Ec_ueg -0.5184090E-04 Delta_ex -0.4304312E-03 Delta_ec 0.2437130E-03 Delta_et -0.1147544E-02 Pxc 0.5516407E+01 Qxc -0.1766140E+01 3,+1 120 3 +1 -0.242786 -2.557924 1.172045 Rho 0.2760310E-02 |GRAD(Rho)| 0.4924433E-17 GRAD(Rho)x -0.3402069E-17 GRAD(Rho)y 0.2275387E-17 GRAD(Rho)z -0.2738353E-17 Laplacian 0.1091492E-01 (-1/4)Del**2(Rho)) -0.2728729E-02 Diamond 0.8737005E-04 Metallicity 0.3429170E+00 Ellipticity -0.1304417E+01 Gb(Abramov) 0.1975108E-02 Vb(Abramov) -0.1221486E-02 Hb(Abramov) 0.7536218E-03 Ex_ueg -0.2859755E-03 Ec_ueg -0.5184090E-04 Delta_ex -0.4304312E-03 Delta_ec 0.2437130E-03 Delta_et -0.1147544E-02 Pxc 0.5516407E+01 Qxc -0.1766140E+01 3,+1 121 3 -1 -0.054688 0.005630 -4.471072 Rho 0.2394324E+00 |GRAD(Rho)| 0.1365316E-14 GRAD(Rho)x 0.2983453E-15 GRAD(Rho)y -0.1181187E-16 GRAD(Rho)z 0.1332268E-14 Laplacian 0.8812339E+00 (-1/4)Del**2(Rho)) -0.2203085E+00 Diamond 0.3100401E+01 Metallicity 0.7219272E+01 Ellipticity 0.1286660E-02 Gb(Abramov) 0.4119501E+00 Vb(Abramov) -0.6035918E+00 Hb(Abramov) -0.1916417E+00 Ex_ueg -0.1098067E+00 Ec_ueg -0.1439988E-01 Delta_ex -0.1063656E+00 Delta_ec 0.1941030E-01 Delta_et -0.2685340E+00 Pxc 0.7625528E+01 Qxc -0.5479855E+01 3,-1 122 3 -1 -0.054688 0.005630 4.471072 Rho 0.2394324E+00 |GRAD(Rho)| 0.2813748E-13 GRAD(Rho)x -0.9480752E-14 GRAD(Rho)y 0.1225357E-13 GRAD(Rho)z -0.2348794E-13 Laplacian 0.8812339E+00 (-1/4)Del**2(Rho)) -0.2203085E+00 Diamond 0.3100401E+01 Metallicity 0.7219272E+01 Ellipticity 0.1286660E-02 Gb(Abramov) 0.4119501E+00 Vb(Abramov) -0.6035918E+00 Hb(Abramov) -0.1916417E+00 Ex_ueg -0.1098067E+00 Ec_ueg -0.1439988E-01 Delta_ex -0.1063656E+00 Delta_ec 0.1941030E-01 Delta_et -0.2685340E+00 Pxc 0.7625528E+01 Qxc -0.5479855E+01 3,-1 123 3 -1 -0.563637 0.713556 -3.215792 Rho 0.1412378E+00 |GRAD(Rho)| 0.1365870E-15 GRAD(Rho)x -0.1906841E-16 GRAD(Rho)y -0.1123369E-15 GRAD(Rho)z 0.7531817E-16 Laplacian 0.5900671E+00 (-1/4)Del**2(Rho)) -0.1475168E+00 Diamond 0.1110931E+01 Metallicity 0.4473320E+01 Ellipticity 0.9916746E-02 Gb(Abramov) 0.2083261E+00 Vb(Abramov) -0.2691355E+00 Hb(Abramov) -0.6080935E-01 Ex_ueg -0.5432331E-01 Ec_ueg -0.7884987E-02 Delta_ex -0.6242515E-01 Delta_ec 0.1516722E-01 Delta_et -0.2001022E+00 Pxc 0.6889461E+01 Qxc -0.4115793E+01 3,-1 124 3 -1 -0.413524 0.455201 0.000000 Rho 0.1945625E+00 |GRAD(Rho)| 0.1941828E-13 GRAD(Rho)x 0.1005917E-13 GRAD(Rho)y -0.1645712E-13 GRAD(Rho)z -0.2246325E-14 Laplacian 0.6371357E+00 (-1/4)Del**2(Rho)) -0.1592839E+00 Diamond 0.1951490E+01 Metallicity 0.7065560E+01 Ellipticity 0.4207248E-02 Gb(Abramov) 0.2937609E+00 Vb(Abramov) -0.4282380E+00 Hb(Abramov) -0.1344770E+00 Ex_ueg -0.8326529E-01 Ec_ueg -0.1135497E-01 Delta_ex -0.7433552E-01 Delta_ec 0.1746178E-01 Delta_et -0.2472997E+00 Pxc 0.7332940E+01 Qxc -0.4257043E+01 3,-1 125 3 +3 0.039879 1.611442 1.629061 Rho 0.4356472E-02 |GRAD(Rho)| 0.1523127E-14 GRAD(Rho)x 0.5201702E-15 GRAD(Rho)y -0.9621674E-15 GRAD(Rho)z -0.1059988E-14 Laplacian 0.1808724E-01 (-1/4)Del**2(Rho)) -0.4521810E-02 Diamond 0.1414584E-03 Metallicity 0.4427233E+00 Ellipticity -0.3020074E+00 Gb(Abramov) 0.3348192E-02 Vb(Abramov) -0.2174574E-02 Hb(Abramov) 0.1173618E-02 Ex_ueg -0.5254906E-03 Ec_ueg -0.1193252E-03 Delta_ex -0.6426715E-03 Delta_ec 0.1530806E-03 Delta_et -0.9681582E-03 Pxc 0.4403854E+01 Qxc -0.4198256E+01 3,+3 126 3 -1 -0.563637 0.713556 3.215792 Rho 0.1412378E+00 |GRAD(Rho)| 0.8330891E-15 GRAD(Rho)x 0.5222060E-15 GRAD(Rho)y -0.6099044E-15 GRAD(Rho)z 0.2221598E-15 Laplacian 0.5900671E+00 (-1/4)Del**2(Rho)) -0.1475168E+00 Diamond 0.1110931E+01 Metallicity 0.4473320E+01 Ellipticity 0.9916746E-02 Gb(Abramov) 0.2083261E+00 Vb(Abramov) -0.2691355E+00 Hb(Abramov) -0.6080935E-01 Ex_ueg -0.5432331E-01 Ec_ueg -0.7884987E-02 Delta_ex -0.6242515E-01 Delta_ec 0.1516722E-01 Delta_et -0.2001022E+00 Pxc 0.6889461E+01 Qxc -0.4115793E+01 3,-1 127 3 -1 0.575009 3.251649 -0.686748 Rho 0.1450957E+00 |GRAD(Rho)| 0.6229269E-15 GRAD(Rho)x -0.5882881E-15 GRAD(Rho)y 0.2031049E-15 GRAD(Rho)z 0.2652230E-16 Laplacian 0.6066581E+00 (-1/4)Del**2(Rho)) -0.1516645E+00 Diamond 0.1183266E+01 Metallicity 0.4550862E+01 Ellipticity 0.1366817E-01 Gb(Abramov) 0.2161437E+00 Vb(Abramov) -0.2806229E+00 Hb(Abramov) -0.6447920E-01 Ex_ueg -0.5631075E-01 Ec_ueg -0.8130314E-02 Delta_ex -0.6464109E-01 Delta_ec 0.1555638E-01 Delta_et -0.2061926E+00 Pxc 0.6926024E+01 Qxc -0.4155280E+01 3,-1 128 3 -1 0.575009 3.251649 0.686748 Rho 0.1450957E+00 |GRAD(Rho)| 0.2557423E-15 GRAD(Rho)x -0.1704366E-15 GRAD(Rho)y 0.1148035E-15 GRAD(Rho)z 0.1522355E-15 Laplacian 0.6066581E+00 (-1/4)Del**2(Rho)) -0.1516645E+00 Diamond 0.1183266E+01 Metallicity 0.4550862E+01 Ellipticity 0.1366817E-01 Gb(Abramov) 0.2161437E+00 Vb(Abramov) -0.2806229E+00 Hb(Abramov) -0.6447920E-01 Ex_ueg -0.5631075E-01 Ec_ueg -0.8130314E-02 Delta_ex -0.6464109E-01 Delta_ec 0.1555638E-01 Delta_et -0.2061926E+00 Pxc 0.6926024E+01 Qxc -0.4155280E+01 3,-1 129 3 -1 1.494798 -3.072229 0.000000 Rho 0.7249433E-02 |GRAD(Rho)| 0.2167209E-16 GRAD(Rho)x -0.9945069E-17 GRAD(Rho)y 0.1920427E-16 GRAD(Rho)z -0.1403978E-17 Laplacian 0.2984156E-01 (-1/4)Del**2(Rho)) -0.7460390E-02 Diamond 0.1478491E-02 Metallicity 0.6270445E+00 Ellipticity 0.7389638E+00 Gb(Abramov) 0.5753259E-02 Vb(Abramov) -0.4046129E-02 Hb(Abramov) 0.1707131E-02 Ex_ueg -0.1036232E-02 Ec_ueg -0.2449634E-03 Delta_ex -0.1784499E-02 Delta_ec 0.1274199E-02 Delta_et -0.7606234E-02 Pxc 0.4230151E+01 Qxc -0.1400487E+01 3,-1 130 3 -1 1.655341 -0.958666 -1.523853 Rho 0.3675111E-01 |GRAD(Rho)| 0.1255550E-16 GRAD(Rho)x -0.1013263E-16 GRAD(Rho)y 0.7022327E-17 GRAD(Rho)z 0.2378521E-17 Laplacian 0.1406576E+00 (-1/4)Del**2(Rho)) -0.3516440E-01 Diamond 0.4679433E-01 Metallicity 0.1990218E+01 Ellipticity 0.3405299E-01 Gb(Abramov) 0.3510707E-01 Vb(Abramov) -0.3504974E-01 Hb(Abramov) 0.5732992E-04 Ex_ueg -0.9024275E-02 Ec_ueg -0.1696814E-02 Delta_ex -0.1071570E-01 Delta_ec 0.4185594E-02 Delta_et -0.4065259E-01 Pxc 0.5318365E+01 Qxc -0.2560138E+01 3,-1 131 3 -1 1.655341 -0.958666 1.523853 Rho 0.3675111E-01 |GRAD(Rho)| 0.3972722E-16 GRAD(Rho)x 0.1634795E-16 GRAD(Rho)y -0.2403202E-16 GRAD(Rho)z 0.2708245E-16 Laplacian 0.1406576E+00 (-1/4)Del**2(Rho)) -0.3516440E-01 Diamond 0.4679433E-01 Metallicity 0.1990218E+01 Ellipticity 0.3405299E-01 Gb(Abramov) 0.3510707E-01 Vb(Abramov) -0.3504974E-01 Hb(Abramov) 0.5733015E-04 Ex_ueg -0.9024275E-02 Ec_ueg -0.1696814E-02 Delta_ex -0.1071570E-01 Delta_ec 0.4185594E-02 Delta_et -0.4065259E-01 Pxc 0.5318365E+01 Qxc -0.2560138E+01 3,-1 132 3 -1 1.997003 -1.534199 2.692022 Rho 0.1274909E+00 |GRAD(Rho)| 0.2147438E-12 GRAD(Rho)x 0.4089712E-13 GRAD(Rho)y 0.1739600E-12 GRAD(Rho)z 0.1190808E-12 Laplacian 0.4948666E+00 (-1/4)Del**2(Rho)) -0.1237166E+00 Diamond 0.8358935E+00 Metallicity 0.4497008E+01 Ellipticity 0.2251811E-01 Gb(Abramov) 0.1752035E+00 Vb(Abramov) -0.2266905E+00 Hb(Abramov) -0.5148690E-01 Ex_ueg -0.4739042E-01 Ec_ueg -0.7018587E-02 Delta_ex -0.5122005E-01 Delta_ec 0.1330433E-01 Delta_et -0.1732087E+00 Pxc 0.6752132E+01 Qxc -0.3849879E+01 3,-1 133 3 -1 1.691835 0.807084 -1.552394 Rho 0.2870306E-01 |GRAD(Rho)| 0.2920918E-16 GRAD(Rho)x 0.7967404E-17 GRAD(Rho)y -0.2501209E-16 GRAD(Rho)z 0.1280984E-16 Laplacian 0.1070721E+00 (-1/4)Del**2(Rho)) -0.2676803E-01 Diamond 0.2398045E-01 Metallicity 0.1731744E+01 Ellipticity 0.6563122E-01 Gb(Abramov) 0.2557125E-01 Vb(Abramov) -0.2437447E-01 Hb(Abramov) 0.1196781E-02 Ex_ueg -0.6490666E-02 Ec_ueg -0.1276905E-02 Delta_ex -0.7546859E-02 Delta_ec 0.2952733E-02 Delta_et -0.2680550E-01 Pxc 0.5083122E+01 Qxc -0.2555889E+01 3,-1 134 3 -1 1.691835 0.807084 1.552394 Rho 0.2870306E-01 |GRAD(Rho)| 0.5854537E-16 GRAD(Rho)x 0.4359112E-16 GRAD(Rho)y -0.3636387E-16 GRAD(Rho)z 0.1431933E-16 Laplacian 0.1070721E+00 (-1/4)Del**2(Rho)) -0.2676803E-01 Diamond 0.2398045E-01 Metallicity 0.1731744E+01 Ellipticity 0.6563122E-01 Gb(Abramov) 0.2557125E-01 Vb(Abramov) -0.2437447E-01 Hb(Abramov) 0.1196781E-02 Ex_ueg -0.6490666E-02 Ec_ueg -0.1276905E-02 Delta_ex -0.7546859E-02 Delta_ec 0.2952733E-02 Delta_et -0.2680550E-01 Pxc 0.5083122E+01 Qxc -0.2555889E+01 3,-1 135 3 -1 -2.988366 2.043226 -0.800232 Rho 0.1391119E+00 |GRAD(Rho)| 0.4489069E-15 GRAD(Rho)x -0.3261212E-15 GRAD(Rho)y 0.2772169E-16 GRAD(Rho)z 0.3072358E-15 Laplacian 0.5496435E+00 (-1/4)Del**2(Rho)) -0.1374109E+00 Diamond 0.1021437E+01 Metallicity 0.4682445E+01 Ellipticity 0.3461667E-01 Gb(Abramov) 0.1988437E+00 Vb(Abramov) -0.2602766E+00 Hb(Abramov) -0.6143285E-01 Ex_ueg -0.5323585E-01 Ec_ueg -0.7750206E-02 Delta_ex -0.5799241E-01 Delta_ec 0.1428462E-01 Delta_et -0.1882450E+00 Pxc 0.6868960E+01 Qxc -0.4059778E+01 3,-1 136 3 -1 -2.988366 2.043226 0.800232 Rho 0.1391119E+00 |GRAD(Rho)| 0.7941605E-13 GRAD(Rho)x -0.3760889E-13 GRAD(Rho)y -0.5927714E-13 GRAD(Rho)z 0.3713086E-13 Laplacian 0.5496435E+00 (-1/4)Del**2(Rho)) -0.1374109E+00 Diamond 0.1021437E+01 Metallicity 0.4682445E+01 Ellipticity 0.3461667E-01 Gb(Abramov) 0.1988437E+00 Vb(Abramov) -0.2602766E+00 Hb(Abramov) -0.6143285E-01 Ex_ueg -0.5323585E-01 Ec_ueg -0.7750206E-02 Delta_ex -0.5799241E-01 Delta_ec 0.1428462E-01 Delta_et -0.1882450E+00 Pxc 0.6868960E+01 Qxc -0.4059778E+01 3,-1 137 3 -1 -3.209127 2.210320 -2.308696 Rho 0.2360455E+00 |GRAD(Rho)| 0.8738160E-14 GRAD(Rho)x -0.4090044E-14 GRAD(Rho)y 0.5693200E-14 GRAD(Rho)z -0.5216747E-14 Laplacian 0.8615154E+00 (-1/4)Del**2(Rho)) -0.2153788E+00 Diamond 0.2984329E+01 Metallicity 0.7211234E+01 Ellipticity 0.7441320E-02 Gb(Abramov) 0.4024438E+00 Vb(Abramov) -0.5895087E+00 Hb(Abramov) -0.1870649E+00 Ex_ueg -0.1077406E+00 Ec_ueg -0.1416618E-01 Delta_ex -0.1036259E+00 Delta_ec 0.1910303E-01 Delta_et -0.2643550E+00 Pxc 0.7605480E+01 Qxc -0.5424577E+01 3,-1 138 3 -1 -3.209127 2.210320 2.308696 Rho 0.2360455E+00 |GRAD(Rho)| 0.1146242E-14 GRAD(Rho)x -0.8266499E-15 GRAD(Rho)y 0.2458428E-15 GRAD(Rho)z 0.7550384E-15 Laplacian 0.8615154E+00 (-1/4)Del**2(Rho)) -0.2153788E+00 Diamond 0.2984329E+01 Metallicity 0.7211234E+01 Ellipticity 0.7441320E-02 Gb(Abramov) 0.4024438E+00 Vb(Abramov) -0.5895087E+00 Hb(Abramov) -0.1870649E+00 Ex_ueg -0.1077406E+00 Ec_ueg -0.1416618E-01 Delta_ex -0.1036259E+00 Delta_ec 0.1910303E-01 Delta_et -0.2643550E+00 Pxc 0.7605480E+01 Qxc -0.5424577E+01 3,-1 139 3 -1 -0.492157 2.383893 0.000000 Rho 0.3805183E-01 |GRAD(Rho)| 0.3705585E-13 GRAD(Rho)x 0.1140164E-13 GRAD(Rho)y 0.3525814E-13 GRAD(Rho)z -0.4032623E-16 Laplacian 0.1494117E+00 (-1/4)Del**2(Rho)) -0.3735292E-01 Diamond 0.5148319E-01 Metallicity 0.1985430E+01 Ellipticity 0.1380771E-01 Gb(Abramov) 0.3726221E-01 Vb(Abramov) -0.3717151E-01 Hb(Abramov) 0.9070361E-04 Ex_ueg -0.9452627E-02 Ec_ueg -0.1765937E-02 Delta_ex -0.1144152E-01 Delta_ec 0.4375286E-02 Delta_et -0.4289260E-01 Pxc 0.5352754E+01 Qxc -0.2615034E+01 3,-1 140 3 +3 1.132193 1.488250 -0.000000 Rho 0.4181865E-02 |GRAD(Rho)| 0.4708295E-16 GRAD(Rho)x 0.1757553E-16 GRAD(Rho)y 0.4365687E-16 GRAD(Rho)z -0.1408156E-17 Laplacian 0.1691672E-01 (-1/4)Del**2(Rho)) -0.4229179E-02 Diamond 0.1054922E-03 Metallicity 0.4421609E+00 Ellipticity -0.6493018E-01 Gb(Abramov) 0.3131116E-02 Vb(Abramov) -0.2033052E-02 Hb(Abramov) 0.1098063E-02 Ex_ueg -0.4975977E-03 Ec_ueg -0.1118768E-03 Delta_ex -0.5716212E-03 Delta_ec 0.1017978E-03 Delta_et -0.7008775E-03 Pxc 0.4447729E+01 Qxc -0.5615264E+01 3,+3 141 3 +1 1.784741 2.534915 0.000000 Rho 0.1260059E-01 |GRAD(Rho)| 0.1997205E-16 GRAD(Rho)x -0.1350138E-16 GRAD(Rho)y 0.1395422E-16 GRAD(Rho)z 0.4677098E-17 Laplacian 0.6334723E-01 (-1/4)Del**2(Rho)) -0.1583681E-01 Diamond 0.2666238E-02 Metallicity 0.7422273E+00 Ellipticity -0.1243706E+01 Gb(Abramov) 0.1251696E-01 Vb(Abramov) -0.9197106E-02 Hb(Abramov) 0.3319851E-02 Ex_ueg -0.2165573E-02 Ec_ueg -0.4873648E-03 Delta_ex -0.3141250E-02 Delta_ec 0.7990466E-03 Delta_et -0.6080693E-02 Pxc 0.4443434E+01 Qxc -0.3931248E+01 3,+1 142 3 +1 1.700887 -2.849807 -0.000000 Rho 0.7053955E-02 |GRAD(Rho)| 0.5643936E-15 GRAD(Rho)x -0.3963169E-15 GRAD(Rho)y 0.1096431E-15 GRAD(Rho)z -0.3865894E-15 Laplacian 0.3144337E-01 (-1/4)Del**2(Rho)) -0.7860844E-02 Diamond 0.1051320E-02 Metallicity 0.5685978E+00 Ellipticity -0.2089440E+01 Gb(Abramov) 0.5985505E-02 Vb(Abramov) -0.4110167E-02 Hb(Abramov) 0.1875338E-02 Ex_ueg -0.9991453E-03 Ec_ueg -0.2363462E-03 Delta_ex -0.1606689E-02 Delta_ec 0.8707631E-03 Delta_et -0.5287594E-02 Pxc 0.4227465E+01 Qxc -0.1845150E+01 3,+1 143 3 -1 1.923468 -2.560731 -1.668659 Rho 0.2361376E+00 |GRAD(Rho)| 0.3517044E-14 GRAD(Rho)x -0.1528942E-14 GRAD(Rho)y 0.1327063E-15 GRAD(Rho)z 0.3164542E-14 Laplacian 0.9068272E+00 (-1/4)Del**2(Rho)) -0.2267068E+00 Diamond 0.3111337E+01 Metallicity 0.6855362E+01 Ellipticity 0.1486306E-01 Gb(Abramov) 0.4101641E+00 Vb(Abramov) -0.5936213E+00 Hb(Abramov) -0.1834573E+00 Ex_ueg -0.1077966E+00 Ec_ueg -0.1417252E-01 Delta_ex -0.1089163E+00 Delta_ec 0.1980023E-01 Delta_et -0.2726855E+00 Pxc 0.7606029E+01 Qxc -0.5500756E+01 3,-1 144 3 -1 1.923468 -2.560731 1.668659 Rho 0.2361376E+00 |GRAD(Rho)| 0.5665504E-14 GRAD(Rho)x -0.4130539E-14 GRAD(Rho)y -0.2429805E-14 GRAD(Rho)z -0.3022024E-14 Laplacian 0.9068273E+00 (-1/4)Del**2(Rho)) -0.2267068E+00 Diamond 0.3111338E+01 Metallicity 0.6855361E+01 Ellipticity 0.1486306E-01 Gb(Abramov) 0.4101641E+00 Vb(Abramov) -0.5936213E+00 Hb(Abramov) -0.1834573E+00 Ex_ueg -0.1077966E+00 Ec_ueg -0.1417252E-01 Delta_ex -0.1089163E+00 Delta_ec 0.1980024E-01 Delta_et -0.2726855E+00 Pxc 0.7606029E+01 Qxc -0.5500756E+01 3,-1 145 3 -1 1.997003 -1.534199 -2.692022 Rho 0.1274909E+00 |GRAD(Rho)| 0.1519257E-14 GRAD(Rho)x 0.8129483E-15 GRAD(Rho)y -0.4096048E-15 GRAD(Rho)z 0.1216339E-14 Laplacian 0.4948666E+00 (-1/4)Del**2(Rho)) -0.1237166E+00 Diamond 0.8358935E+00 Metallicity 0.4497008E+01 Ellipticity 0.2251811E-01 Gb(Abramov) 0.1752035E+00 Vb(Abramov) -0.2266905E+00 Hb(Abramov) -0.5148690E-01 Ex_ueg -0.4739042E-01 Ec_ueg -0.7018587E-02 Delta_ex -0.5122005E-01 Delta_ec 0.1330433E-01 Delta_et -0.1732087E+00 Pxc 0.6752132E+01 Qxc -0.3849879E+01 3,-1 146 3 -1 2.798079 -1.719989 0.858570 Rho 0.1416317E+00 |GRAD(Rho)| 0.1516586E-14 GRAD(Rho)x 0.9961107E-15 GRAD(Rho)y 0.4070400E-15 GRAD(Rho)z -0.1068698E-14 Laplacian 0.5804692E+00 (-1/4)Del**2(Rho)) -0.1451173E+00 Diamond 0.1106234E+01 Metallicity 0.4568444E+01 Ellipticity 0.7632992E-02 Gb(Abramov) 0.2072382E+00 Vb(Abramov) -0.2693592E+00 Hb(Abramov) -0.6212095E-01 Ex_ueg -0.5452544E-01 Ec_ueg -0.7909996E-02 Delta_ex -0.6155592E-01 Delta_ec 0.1509679E-01 Delta_et -0.1996514E+00 Pxc 0.6893233E+01 Qxc -0.4077419E+01 3,-1 147 3 -1 2.798079 -1.719989 -0.858570 Rho 0.1416317E+00 |GRAD(Rho)| 0.1369618E-14 GRAD(Rho)x 0.9437641E-15 GRAD(Rho)y 0.3576410E-15 GRAD(Rho)z 0.9258816E-15 Laplacian 0.5804692E+00 (-1/4)Del**2(Rho)) -0.1451173E+00 Diamond 0.1106234E+01 Metallicity 0.4568444E+01 Ellipticity 0.7632992E-02 Gb(Abramov) 0.2072382E+00 Vb(Abramov) -0.2693592E+00 Hb(Abramov) -0.6212095E-01 Ex_ueg -0.5452544E-01 Ec_ueg -0.7909996E-02 Delta_ex -0.6155592E-01 Delta_ec 0.1509679E-01 Delta_et -0.1996514E+00 Pxc 0.6893233E+01 Qxc -0.4077419E+01 3,-1 148 3 -1 2.967430 -0.817181 -1.971340 Rho 0.8367260E-01 |GRAD(Rho)| 0.1649717E-16 GRAD(Rho)x 0.8758321E-17 GRAD(Rho)y -0.4672234E-17 GRAD(Rho)z 0.1317644E-16 Laplacian 0.3402538E+00 (-1/4)Del**2(Rho)) -0.8506345E-01 Diamond 0.3385698E+00 Metallicity 0.3241770E+01 Ellipticity 0.2316856E-02 Gb(Abramov) 0.1026683E+00 Vb(Abramov) -0.1202732E+00 Hb(Abramov) -0.1760488E-01 Ex_ueg -0.2702896E-01 Ec_ueg -0.4347117E-02 Delta_ex -0.3176984E-01 Delta_ec 0.9757352E-02 Delta_et -0.1166837E+00 Pxc 0.6217676E+01 Qxc -0.3255990E+01 3,-1 149 3 -1 2.967430 -0.817181 1.971340 Rho 0.8367260E-01 |GRAD(Rho)| 0.8253896E-15 GRAD(Rho)x -0.3457538E-15 GRAD(Rho)y -0.7453788E-15 GRAD(Rho)z 0.7831201E-16 Laplacian 0.3402538E+00 (-1/4)Del**2(Rho)) -0.8506345E-01 Diamond 0.3385698E+00 Metallicity 0.3241770E+01 Ellipticity 0.2316856E-02 Gb(Abramov) 0.1026683E+00 Vb(Abramov) -0.1202732E+00 Hb(Abramov) -0.1760488E-01 Ex_ueg -0.2702896E-01 Ec_ueg -0.4347117E-02 Delta_ex -0.3176984E-01 Delta_ec 0.9757352E-02 Delta_et -0.1166837E+00 Pxc 0.6217676E+01 Qxc -0.3255990E+01 3,-1 150 3 -1 3.007546 0.862458 -1.991161 Rho 0.1824414E+00 |GRAD(Rho)| 0.5859779E-13 GRAD(Rho)x 0.5573675E-13 GRAD(Rho)y 0.9421825E-14 GRAD(Rho)z 0.1543842E-13 Laplacian 0.7175201E+00 (-1/4)Del**2(Rho)) -0.1793800E+00 Diamond 0.1827891E+01 Metallicity 0.5636180E+01 Ellipticity 0.4484916E-01 Gb(Abramov) 0.2880897E+00 Vb(Abramov) -0.3967994E+00 Hb(Abramov) -0.1087097E+00 Ex_ueg -0.7642164E-01 Ec_ueg -0.1055166E-01 Delta_ex -0.8081506E-01 Delta_ec 0.1715546E-01 Delta_et -0.2333767E+00 Pxc 0.7242615E+01 Qxc -0.4710748E+01 3,-1 151 3 -1 3.007546 0.862458 1.991161 Rho 0.1824414E+00 |GRAD(Rho)| 0.5857850E-13 GRAD(Rho)x 0.5573574E-13 GRAD(Rho)y 0.9318935E-14 GRAD(Rho)z -0.1543131E-13 Laplacian 0.7175201E+00 (-1/4)Del**2(Rho)) -0.1793800E+00 Diamond 0.1827891E+01 Metallicity 0.5636180E+01 Ellipticity 0.4484916E-01 Gb(Abramov) 0.2880897E+00 Vb(Abramov) -0.3967994E+00 Hb(Abramov) -0.1087097E+00 Ex_ueg -0.7642164E-01 Ec_ueg -0.1055166E-01 Delta_ex -0.8081506E-01 Delta_ec 0.1715546E-01 Delta_et -0.2333767E+00 Pxc 0.7242615E+01 Qxc -0.4710748E+01 3,-1 152 3 -1 2.832142 1.756751 -0.875096 Rho 0.1405796E+00 |GRAD(Rho)| 0.1364189E-12 GRAD(Rho)x -0.1064629E-12 GRAD(Rho)y 0.7787544E-13 GRAD(Rho)z -0.3480202E-13 Laplacian 0.5890774E+00 (-1/4)Del**2(Rho)) -0.1472693E+00 Diamond 0.1107214E+01 Metallicity 0.4446089E+01 Ellipticity 0.1421333E-01 Gb(Abramov) 0.2073083E+00 Vb(Abramov) -0.2673473E+00 Hb(Abramov) -0.6003899E-01 Ex_ueg -0.5398606E-01 Ec_ueg -0.7843229E-02 Delta_ex -0.6229677E-01 Delta_ec 0.1524345E-01 Delta_et -0.2011451E+00 Pxc 0.6883141E+01 Qxc -0.4086789E+01 3,-1 153 3 -1 -2.797989 0.890804 1.661515 Rho 0.1911528E+00 |GRAD(Rho)| 0.7167989E-13 GRAD(Rho)x 0.5499228E-13 GRAD(Rho)y -0.1141155E-13 GRAD(Rho)z 0.4453800E-13 Laplacian 0.7805308E+00 (-1/4)Del**2(Rho)) -0.1951327E+00 Diamond 0.2085784E+01 Metallicity 0.5600036E+01 Ellipticity 0.2195141E-01 Gb(Abramov) 0.3122135E+00 Vb(Abramov) -0.4292943E+00 Hb(Abramov) -0.1170808E+00 Ex_ueg -0.8132534E-01 Ec_ueg -0.1112815E-01 Delta_ex -0.8883263E-01 Delta_ec 0.1820870E-01 Delta_et -0.2480758E+00 Pxc 0.7308073E+01 Qxc -0.4878582E+01 3,-1 154 3 -1 -2.797989 0.890804 -1.661515 Rho 0.1911528E+00 |GRAD(Rho)| 0.4169884E-15 GRAD(Rho)x -0.3496281E-15 GRAD(Rho)y -0.9952976E-16 GRAD(Rho)z 0.2042874E-15 Laplacian 0.7805308E+00 (-1/4)Del**2(Rho)) -0.1951327E+00 Diamond 0.2085784E+01 Metallicity 0.5600036E+01 Ellipticity 0.2195141E-01 Gb(Abramov) 0.3122135E+00 Vb(Abramov) -0.4292943E+00 Hb(Abramov) -0.1170808E+00 Ex_ueg -0.8132534E-01 Ec_ueg -0.1112815E-01 Delta_ex -0.8883263E-01 Delta_ec 0.1820870E-01 Delta_et -0.2480758E+00 Pxc 0.7308073E+01 Qxc -0.4878582E+01 3,-1 155 3 -1 -2.128878 -2.904068 -1.687043 Rho 0.2324231E+00 |GRAD(Rho)| 0.9828964E-13 GRAD(Rho)x -0.7133622E-13 GRAD(Rho)y 0.6741135E-13 GRAD(Rho)z 0.5263615E-14 Laplacian 0.8946446E+00 (-1/4)Del**2(Rho)) -0.2236611E+00 Diamond 0.3005202E+01 Metallicity 0.6767499E+01 Ellipticity 0.1231062E-01 Gb(Abramov) 0.4013785E+00 Vb(Abramov) -0.5790959E+00 Hb(Abramov) -0.1777174E+00 Ex_ueg -0.1055417E+00 Ec_ueg -0.1391692E-01 Delta_ex -0.1069739E+00 Delta_ec 0.1956332E-01 Delta_et -0.2690105E+00 Pxc 0.7583699E+01 Qxc -0.5468087E+01 3,-1 156 3 -1 -2.128878 -2.904068 1.687043 Rho 0.2324231E+00 |GRAD(Rho)| 0.9056237E-13 GRAD(Rho)x -0.6828609E-13 GRAD(Rho)y 0.5897485E-13 GRAD(Rho)z -0.7779422E-14 Laplacian 0.8946446E+00 (-1/4)Del**2(Rho)) -0.2236611E+00 Diamond 0.3005202E+01 Metallicity 0.6767499E+01 Ellipticity 0.1231062E-01 Gb(Abramov) 0.4013785E+00 Vb(Abramov) -0.5790959E+00 Hb(Abramov) -0.1777174E+00 Ex_ueg -0.1055417E+00 Ec_ueg -0.1391692E-01 Delta_ex -0.1069739E+00 Delta_ec 0.1956332E-01 Delta_et -0.2690105E+00 Pxc 0.7583699E+01 Qxc -0.5468087E+01 3,-1 157 3 +1 -2.007274 2.893554 0.000000 Rho 0.1277068E-01 |GRAD(Rho)| 0.1438504E-14 GRAD(Rho)x 0.8958296E-15 GRAD(Rho)y -0.9313394E-15 GRAD(Rho)z 0.6319736E-15 Laplacian 0.6022568E-01 (-1/4)Del**2(Rho)) -0.1505642E-01 Diamond 0.2211391E-02 Metallicity 0.7983407E+00 Ellipticity -0.1183306E+01 Gb(Abramov) 0.1204097E-01 Vb(Abramov) -0.9025523E-02 Hb(Abramov) 0.3015448E-02 Ex_ueg -0.2204637E-02 Ec_ueg -0.4952622E-03 Delta_ex -0.2898573E-02 Delta_ec 0.5837058E-03 Delta_et -0.4590703E-02 Pxc 0.4451455E+01 Qxc -0.4965811E+01 3,+1 158 3 -1 -0.828192 3.516986 -0.708934 Rho 0.1522320E+00 |GRAD(Rho)| 0.5324059E-13 GRAD(Rho)x 0.2213515E-13 GRAD(Rho)y 0.4617912E-13 GRAD(Rho)z 0.1456311E-13 Laplacian 0.6020373E+00 (-1/4)Del**2(Rho)) -0.1505093E+00 Diamond 0.1242267E+01 Metallicity 0.4967828E+01 Ellipticity 0.3819062E-01 Gb(Abramov) 0.2249570E+00 Vb(Abramov) -0.2994046E+00 Hb(Abramov) -0.7444764E-01 Ex_ueg -0.6003343E-01 Ec_ueg -0.8586550E-02 Delta_ex -0.6489246E-01 Delta_ec 0.1522601E-01 Delta_et -0.2031179E+00 Pxc 0.6991566E+01 Qxc -0.4261947E+01 3,-1 159 3 -1 -0.828192 3.516986 0.708934 Rho 0.1522320E+00 |GRAD(Rho)| 0.6289502E-15 GRAD(Rho)x -0.5573070E-15 GRAD(Rho)y 0.4706115E-17 GRAD(Rho)z 0.2914878E-15 Laplacian 0.6020373E+00 (-1/4)Del**2(Rho)) -0.1505093E+00 Diamond 0.1242267E+01 Metallicity 0.4967828E+01 Ellipticity 0.3819062E-01 Gb(Abramov) 0.2249570E+00 Vb(Abramov) -0.2994046E+00 Hb(Abramov) -0.7444764E-01 Ex_ueg -0.6003343E-01 Ec_ueg -0.8586550E-02 Delta_ex -0.6489246E-01 Delta_ec 0.1522601E-01 Delta_et -0.2031179E+00 Pxc 0.6991566E+01 Qxc -0.4261947E+01 3,-1 160 3 -1 1.830639 2.387662 -1.561484 Rho 0.1336393E+00 |GRAD(Rho)| 0.3802663E-13 GRAD(Rho)x -0.3212689E-13 GRAD(Rho)y -0.1170418E-13 GRAD(Rho)z 0.1664031E-13 Laplacian 0.5646524E+00 (-1/4)Del**2(Rho)) -0.1411631E+00 Diamond 0.9952862E+00 Metallicity 0.4263066E+01 Ellipticity 0.1016468E-01 Gb(Abramov) 0.1944067E+00 Vb(Abramov) -0.2476502E+00 Hb(Abramov) -0.5324358E-01 Ex_ueg -0.5046192E-01 Ec_ueg -0.7404567E-02 Delta_ex -0.5894523E-01 Delta_ec 0.1472107E-01 Delta_et -0.1925986E+00 Pxc 0.6814972E+01 Qxc -0.4004140E+01 3,-1 161 3 -1 1.830639 2.387662 1.561484 Rho 0.1336393E+00 |GRAD(Rho)| 0.3763787E-13 GRAD(Rho)x -0.3158567E-13 GRAD(Rho)y -0.1209727E-13 GRAD(Rho)z -0.1651094E-13 Laplacian 0.5646524E+00 (-1/4)Del**2(Rho)) -0.1411631E+00 Diamond 0.9952862E+00 Metallicity 0.4263066E+01 Ellipticity 0.1016468E-01 Gb(Abramov) 0.1944067E+00 Vb(Abramov) -0.2476502E+00 Hb(Abramov) -0.5324358E-01 Ex_ueg -0.5046192E-01 Ec_ueg -0.7404567E-02 Delta_ex -0.5894523E-01 Delta_ec 0.1472107E-01 Delta_et -0.1925986E+00 Pxc 0.6814972E+01 Qxc -0.4004140E+01 3,-1 162 3 -1 1.987355 1.549450 2.688359 Rho 0.1411092E+00 |GRAD(Rho)| 0.4609637E-15 GRAD(Rho)x -0.1972164E-15 GRAD(Rho)y -0.3884663E-15 GRAD(Rho)z 0.1506228E-15 Laplacian 0.5579162E+00 (-1/4)Del**2(Rho)) -0.1394790E+00 Diamond 0.1054736E+01 Metallicity 0.4723929E+01 Ellipticity 0.2734085E-01 Gb(Abramov) 0.2028009E+00 Vb(Abramov) -0.2661227E+00 Hb(Abramov) -0.6332183E-01 Ex_ueg -0.5425741E-01 Ec_ueg -0.7876830E-02 Delta_ex -0.5906996E-01 Delta_ec 0.1444981E-01 Delta_et -0.1908350E+00 Pxc 0.6888229E+01 Qxc -0.4087940E+01 3,-1 163 3 -1 1.987355 1.549450 -2.688359 Rho 0.1411092E+00 |GRAD(Rho)| 0.2633745E-12 GRAD(Rho)x 0.1336564E-12 GRAD(Rho)y 0.2881451E-13 GRAD(Rho)z 0.2251040E-12 Laplacian 0.5579162E+00 (-1/4)Del**2(Rho)) -0.1394790E+00 Diamond 0.1054736E+01 Metallicity 0.4723929E+01 Ellipticity 0.2734085E-01 Gb(Abramov) 0.2028009E+00 Vb(Abramov) -0.2661227E+00 Hb(Abramov) -0.6332183E-01 Ex_ueg -0.5425741E-01 Ec_ueg -0.7876830E-02 Delta_ex -0.5906996E-01 Delta_ec 0.1444981E-01 Delta_et -0.1908350E+00 Pxc 0.6888229E+01 Qxc -0.4087940E+01 3,-1 164 3 -1 -1.973121 2.693661 -1.507385 Rho 0.1212717E+00 |GRAD(Rho)| 0.1131920E-15 GRAD(Rho)x -0.1053031E-15 GRAD(Rho)y -0.3598196E-16 GRAD(Rho)z -0.2071165E-16 Laplacian 0.4860803E+00 (-1/4)Del**2(Rho)) -0.1215201E+00 Diamond 0.7609492E+00 Metallicity 0.4212155E+01 Ellipticity 0.1529890E-01 Gb(Abramov) 0.1663236E+00 Vb(Abramov) -0.2111272E+00 Hb(Abramov) -0.4480355E-01 Ex_ueg -0.4433341E-01 Ec_ueg -0.6630742E-02 Delta_ex -0.4955242E-01 Delta_ec 0.1293384E-01 Delta_et -0.1664644E+00 Pxc 0.6686040E+01 Qxc -0.3831222E+01 3,-1 165 3 -1 -1.973121 2.693661 1.507385 Rho 0.1212717E+00 |GRAD(Rho)| 0.3728661E-15 GRAD(Rho)x 0.1966065E-15 GRAD(Rho)y 0.2809710E-15 GRAD(Rho)z -0.1463910E-15 Laplacian 0.4860803E+00 (-1/4)Del**2(Rho)) -0.1215201E+00 Diamond 0.7609492E+00 Metallicity 0.4212155E+01 Ellipticity 0.1529890E-01 Gb(Abramov) 0.1663236E+00 Vb(Abramov) -0.2111272E+00 Hb(Abramov) -0.4480355E-01 Ex_ueg -0.4433341E-01 Ec_ueg -0.6630742E-02 Delta_ex -0.4955242E-01 Delta_ec 0.1293384E-01 Delta_et -0.1664644E+00 Pxc 0.6686040E+01 Qxc -0.3831222E+01 3,-1 166 3 -1 3.277437 -2.294857 -2.219952 Rho 0.2315854E+00 |GRAD(Rho)| 0.4887572E-13 GRAD(Rho)x -0.3817714E-13 GRAD(Rho)y 0.2379347E-13 GRAD(Rho)z 0.1911053E-13 Laplacian 0.8433657E+00 (-1/4)Del**2(Rho)) -0.2108414E+00 Diamond 0.2865761E+01 Metallicity 0.7135906E+01 Ellipticity 0.1757351E-01 Gb(Abramov) 0.3913184E+00 Vb(Abramov) -0.5717953E+00 Hb(Abramov) -0.1804770E+00 Ex_ueg -0.1050348E+00 Ec_ueg -0.1385937E-01 Delta_ex -0.1009992E+00 Delta_ec 0.1891109E-01 Delta_et -0.2619432E+00 Pxc 0.7578611E+01 Qxc -0.5340739E+01 3,-1 167 3 -1 3.277437 -2.294857 2.219952 Rho 0.2315854E+00 |GRAD(Rho)| 0.9158529E-14 GRAD(Rho)x 0.5711577E-15 GRAD(Rho)y -0.2351526E-14 GRAD(Rho)z 0.8833049E-14 Laplacian 0.8433657E+00 (-1/4)Del**2(Rho)) -0.2108414E+00 Diamond 0.2865761E+01 Metallicity 0.7135906E+01 Ellipticity 0.1757351E-01 Gb(Abramov) 0.3913184E+00 Vb(Abramov) -0.5717953E+00 Hb(Abramov) -0.1804770E+00 Ex_ueg -0.1050348E+00 Ec_ueg -0.1385937E-01 Delta_ex -0.1009992E+00 Delta_ec 0.1891109E-01 Delta_et -0.2619432E+00 Pxc 0.7578611E+01 Qxc -0.5340739E+01 3,-1 168 3 -1 0.070710 4.533708 0.000000 Rho 0.2381073E+00 |GRAD(Rho)| 0.4403517E-15 GRAD(Rho)x 0.5475221E-16 GRAD(Rho)y -0.4369335E-15 GRAD(Rho)z -0.9609969E-18 Laplacian 0.8640739E+00 (-1/4)Del**2(Rho)) -0.2160185E+00 Diamond 0.3030949E+01 Metallicity 0.7294859E+01 Ellipticity 0.9403695E-03 Gb(Abramov) 0.4066497E+00 Vb(Abramov) -0.5972809E+00 Hb(Abramov) -0.1906312E+00 Ex_ueg -0.1089972E+00 Ec_ueg -0.1430838E-01 Delta_ex -0.1042034E+00 Delta_ec 0.1917083E-01 Delta_et -0.2656415E+00 Pxc 0.7617721E+01 Qxc -0.5435516E+01 3,-1 169 3 -1 -0.470318 -0.581468 0.000000 Rho 0.2061667E+00 |GRAD(Rho)| 0.6206531E-12 GRAD(Rho)x 0.4158839E-12 GRAD(Rho)y 0.4606947E-12 GRAD(Rho)z -0.3356442E-14 Laplacian 0.7553095E+00 (-1/4)Del**2(Rho)) -0.1888274E+00 Diamond 0.2444084E+01 Metallicity 0.6564261E+01 Ellipticity 0.3794420E-01 Gb(Abramov) 0.3324703E+00 Vb(Abramov) -0.4761132E+00 Hb(Abramov) -0.1436429E+00 Ex_ueg -0.8995179E-01 Ec_ueg -0.1213176E-01 Delta_ex -0.8916419E-01 Delta_ec 0.1997716E-01 Delta_et -0.2837196E+00 Pxc 0.7414573E+01 Qxc -0.4463306E+01 3,-1 170 3 -1 2.832142 1.756751 0.875096 Rho 0.1405796E+00 |GRAD(Rho)| 0.1181143E-12 GRAD(Rho)x -0.1636487E-13 GRAD(Rho)y 0.4597870E-14 GRAD(Rho)z 0.1168847E-12 Laplacian 0.5890774E+00 (-1/4)Del**2(Rho)) -0.1472693E+00 Diamond 0.1107214E+01 Metallicity 0.4446089E+01 Ellipticity 0.1421333E-01 Gb(Abramov) 0.2073083E+00 Vb(Abramov) -0.2673473E+00 Hb(Abramov) -0.6003899E-01 Ex_ueg -0.5398606E-01 Ec_ueg -0.7843229E-02 Delta_ex -0.6229677E-01 Delta_ec 0.1524345E-01 Delta_et -0.2011451E+00 Pxc 0.6883141E+01 Qxc -0.4086789E+01 3,-1 171 3 +3 -1.813260 2.591306 -0.000000 Rho 0.1221002E-01 |GRAD(Rho)| 0.1050308E-16 GRAD(Rho)x -0.3085881E-17 GRAD(Rho)y -0.1002855E-16 GRAD(Rho)z -0.4692683E-18 Laplacian 0.5528924E-01 (-1/4)Del**2(Rho)) -0.1382231E-01 Diamond 0.1148705E-02 Metallicity 0.8069253E+00 Ellipticity -0.5739230E+00 Gb(Abramov) 0.1107380E-01 Vb(Abramov) -0.8325294E-02 Hb(Abramov) 0.2748508E-02 Ex_ueg -0.2076540E-02 Ec_ueg -0.4692731E-03 Delta_ex -0.2413904E-02 Delta_ec 0.1529626E-03 Delta_et -0.1581738E-02 Pxc 0.4425015E+01 Qxc -0.1578101E+02 3,+3 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 73 100 126 86 108 101 122 98 169 95 124 93 81 123 92 105 121 139 128 127 159 158 168 131 146 144 149 132 167 133 152 160 150 163 115 70 154 74 135 164 137 66 61 57 55 156 56 63 59 52 54 155 53 71 153 73 136 165 138 134 170 161 151 162 116 130 147 143 148 145 166 129 85 82 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 21 21 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 28 36 37 2.398084 1.937441 1.909047 1.954217 1.925041 1.744219 1.569777 1.548192 1.569777 1.576432 2.398084 1.909047 1.937441 1.925041 1.954217 1.744219 2.482382 1.926890 1.926890 1.918043 1.918043 1.746576 2.498665 1.935833 1.749627 2.157627 1.988058 1.757282 2.614266 1.937713 1.958930 1.847400 1.946409 1.745255 2.464412 1.822799 1.939914 1.952785 2.008117 1.749868 2.381335 2.181727 1.971989 1.948417 1.754828 1.758549 2.381335 2.181727 1.971989 1.948417 1.754828 1.758549 2.464412 1.822799 1.939914 1.952785 2.008117 1.749868 2.614266 1.937713 1.958930 1.847400 1.946409 1.745255 2.498665 1.935833 1.749627 2.157627 1.988058 1.757282 3.040582 3.253227 3.253227 2.399469 1.937885 1.909499 1.954790 1.925624 1.744224 1.569824 1.548289 1.569823 1.576435 2.399470 1.909452 1.937887 1.925671 1.954792 1.744225 2.483556 1.927331 1.927331 1.918538 1.918539 1.746582 2.499728 1.936265 1.749663 2.158132 1.988636 1.757317 2.615274 1.938123 1.959346 1.847810 1.946974 1.745259 2.465375 1.823168 1.940243 1.953312 2.008700 1.749882 2.383011 2.182106 1.972411 1.949005 1.754843 1.758572 2.383010 2.182092 1.972398 1.949006 1.754843 1.758571 2.465378 1.823169 1.940285 1.953311 2.008699 1.749885 2.615272 1.938122 1.959344 1.847810 1.946935 1.745259 2.499729 1.936265 1.749664 2.158134 1.988635 1.757317 3.054540 3.254991 3.254991 27 23 27 23 23 21 22 21 22 21 27 23 23 25 23 21 29 28 27 23 23 21 29 24 22 25 25 23 29 23 23 23 24 20 29 22 23 23 25 22 27 26 25 23 21 22 27 25 23 23 21 22 29 22 26 23 25 25 29 23 23 23 23 20 29 25 22 25 23 22 33 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 P W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.4551 2.3693 2.4551 2.4637 2.3375 2.4336 2.4348 2.3627 2.3627 2.4348 2.4336 2.3375 -1.0440 -0.9865 -1.0440 -1.0426 -0.9270 -0.9934 -0.9270 -0.9746 -0.7703 -0.9700 -0.9787 -0.9666 -0.9666 -0.9787 -0.9700 -0.7703 -0.9602 -1.0080 -0.9602 -0.9891 -0.9797 -0.9900 -0.9863 -0.8050 -0.8050 -0.9863 -0.9900 -0.9797 -0.8098 -0.8475 -0.8098 -0.8234 -0.8475 -0.8203 -0.8304 -0.8455 -0.8455 -0.8304 -0.8203 2.0956 2.5183 2.0956 2.0903 2.1307 2.0966 2.0950 2.1346 2.1346 2.0950 2.0966 2.1307 1.8961 1.8989 1.8961 1.8922 1.9413 1.9302 1.9413 1.9298 1.9657 1.9304 1.9296 1.9305 1.9305 1.9296 1.9304 1.9657 1.9433 1.9378 1.9433 1.9391 1.9378 1.9388 1.9391 1.9562 1.9562 1.9391 1.9388 1.9378 1.9623 1.9565 1.9623 1.9598 1.9565 1.9615 1.9594 1.9553 1.9553 1.9594 1.9615 6.0989 7.2930 6.0989 6.0906 6.1193 6.1014 6.0982 6.1042 6.1042 6.0982 6.1014 6.1193 5.1090 5.0489 5.1090 5.1115 4.9553 5.0334 4.9553 5.0150 4.7693 5.0106 5.0199 5.0063 5.0063 5.0199 5.0106 4.7693 4.9869 5.0383 4.9869 5.0183 5.0104 5.0199 5.0169 4.8159 4.8159 5.0169 5.0199 5.0104 4.8130 4.8585 4.8130 4.8295 4.8585 4.8244 4.8374 4.8579 4.8579 4.8374 4.8244 3.3207 0.8194 3.3207 3.3257 3.3841 3.3391 3.3424 3.3699 3.3699 3.3424 3.3391 3.3841 0.0389 0.0387 0.0389 0.0389 0.0304 0.0298 0.0304 0.0298 0.0354 0.0290 0.0293 0.0299 0.0299 0.0293 0.0290 0.0354 0.0300 0.0319 0.0300 0.0317 0.0315 0.0312 0.0302 0.0329 0.0329 0.0302 0.0312 0.0315 0.0345 0.0325 0.0345 0.0341 0.0325 0.0344 0.0336 0.0323 0.0323 0.0336 0.0344 14.0298 0.0000 14.0298 14.0298 14.0284 14.0293 14.0296 14.0286 14.0286 14.0296 14.0293 14.0284 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 P W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.518632 2.009685 2.518632 2.510490 2.469200 2.500213 2.497684 2.493642 2.493642 2.497684 2.500213 2.469200 -1.025250 -0.978592 -1.025250 -1.033970 -0.952397 -0.984757 -0.952397 -0.975921 -0.834784 -0.979740 -0.970224 -0.974324 -0.974324 -0.970224 -0.979740 -0.834784 -0.965084 -0.974611 -0.965084 -0.973464 -0.968407 -0.969013 -0.976272 -0.859258 -0.859258 -0.976272 -0.969013 -0.968407 -0.847835 -0.896591 -0.847835 -0.865492 -0.896591 -0.860589 -0.873722 -0.892563 -0.892563 -0.873722 -0.860589 1.939333 1.595775 1.939333 1.931266 1.930977 1.928684 1.924678 1.946179 1.946179 1.924678 1.928684 1.930977 -0.729563 -0.712313 -0.729563 -0.735775 -0.740117 -0.725082 -0.740117 -0.732804 -0.724848 -0.733438 -0.717544 -0.728733 -0.728733 -0.717544 -0.733438 -0.724848 -0.812650 -0.792432 -0.812650 -0.798365 -0.793728 -0.793012 -0.812072 -0.767104 -0.767104 -0.812072 -0.793012 -0.793728 -0.759463 -0.813846 -0.759463 -0.777658 -0.813846 -0.770383 -0.783725 -0.815933 -0.815933 -0.783725 -0.770383 2.044203 1.560270 2.044203 2.035004 2.023905 2.039824 2.033222 2.047211 2.047211 2.033222 2.039824 2.023905 -0.800226 -0.763727 -0.800226 -0.807482 -0.803160 -0.819116 -0.803160 -0.826801 -0.731762 -0.815095 -0.810404 -0.803545 -0.803545 -0.810404 -0.815095 -0.731762 -0.836344 -0.840962 -0.836344 -0.843759 -0.828548 -0.840920 -0.847630 -0.754298 -0.754298 -0.847630 -0.840920 -0.828548 -0.723097 -0.787147 -0.723097 -0.743087 -0.787147 -0.735507 -0.747267 -0.798585 -0.798585 -0.747267 -0.735507 1.77525051 3.10588684 0.00000000 3.57743587 -21.60273709 -1.83496801 0.00000000 13.13282230 -0.00000000 8.46991478 -384.9815 403.7010 -13.2197 -406.2111 -58.4417 -459.1530 Nov02-2023 07:10:49 Nodes: 1 Procs: 1 Nov02-2023 07:10:49 Nodes: 1 Procs: 1 0 Nov02-2023 07:10:50 Nodes: 1 Procs: 1 Nov02-2023 07:10:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Nov02-2023 07:10:51 Nodes: 1 Procs: 1 Nov02-2023 07:10:52 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Nov02-2023 07:10:53 Nodes: 1 Procs: 28 *** (NO TITLE) *** -7 -16.87054618 -16.87163001 -16.87243458 -16.87265947 -16.87322083 -16.87335441 -16.87353927 -16.87356224 -16.87356137 GEOMETRY CONVERGED