ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 16:27:15 Silicon (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.04 0.70 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 Mar01-2024 16:27:15 Nodes: 1 Procs: 1 Mar01-2024 16:27:16 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 16:27:17 Silicon (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.02 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Mar01-2024 16:27:15 Nodes: 1 Procs: 1 Mar01-2024 16:27:16 Nodes: 1 Procs: 1 0 Mar01-2024 16:27:17 Nodes: 1 Procs: 1 Mar01-2024 16:27:18 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 16:27:19 Silicon (TZP, 1s frozen) kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.47 0.01 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar01-2024 16:27:15 Nodes: 1 Procs: 1 Mar01-2024 16:27:16 Nodes: 1 Procs: 1 0 Mar01-2024 16:27:17 Nodes: 1 Procs: 1 Mar01-2024 16:27:18 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar01-2024 16:27:19 Nodes: 1 Procs: 1 Mar01-2024 16:27:19 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 16:27:20 Silicon (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 1707.4020999999973 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953.6070 958.5829 965.0401 966.4771 967.9368 979.1268 979.8152 981.1515 0.00000000096491 0.00041118451325 0.00016747377804 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 42 42 42 42 42 42 42 42 42 42 42 14 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 0.137793 0.040106 3.530886 0.137793 0.040106 -3.530886 -0.156734 3.604396 0.000000 2.420022 -1.826453 1.828531 2.596381 1.727683 -1.864049 -2.576572 1.820513 -1.694316 -2.396955 -2.139964 1.660837 -2.396955 -2.139964 -1.660837 -2.576572 1.820513 1.694316 2.596381 1.727683 1.864049 2.420022 -1.826453 -1.828531 -0.076901 -0.056192 0.000000 0.919983 -0.077592 1.332754 -1.104747 -1.355380 0.000000 0.919983 -0.077592 -1.332754 -0.987381 1.336581 0.000000 -3.091183 0.111498 1.586562 3.004591 -1.539298 0.000000 -3.091183 0.111498 -1.586562 3.144784 1.707642 0.000000 1.314739 -3.128294 -1.476170 1.159726 2.882296 1.293326 -1.126713 -1.289592 -2.858895 -1.139869 1.365878 2.919368 -1.139869 1.365878 -2.919368 -1.126713 -1.289592 2.858895 1.159726 2.882296 -1.293326 1.314739 -3.128294 1.476170 3.434528 0.116796 2.187308 -3.433186 -2.272264 0.000000 3.434528 0.116796 -2.187308 -3.423164 2.345235 0.000000 1.493573 1.395459 3.514625 1.529143 -1.312755 -3.534246 -1.450422 3.568885 1.365635 -1.741278 -3.762860 -1.688514 -1.741278 -3.762860 1.688514 -1.450422 3.568885 -1.365635 1.529143 -1.312755 3.534246 1.493573 1.395459 -3.514625 -0.242523 0.010416 5.241972 3.829842 -2.649409 -2.502994 -0.242523 0.010416 -5.241972 0.309064 5.300189 0.000000 3.829842 -2.649409 2.502994 3.726261 2.888921 -2.534541 -3.723877 2.568375 -2.801670 -3.781191 -2.282950 2.752437 -3.781191 -2.282950 -2.752437 -3.723877 2.568375 2.801670 3.726261 2.888921 2.534541 1 3 -3 0.137793 0.040106 3.530886 Rho 0.1240651E+06 3,-3 2 3 -3 0.137793 0.040106 -3.530886 Rho 0.1240651E+06 3,-3 3 3 -3 -0.156734 3.604396 0.000000 Rho 0.1240652E+06 3,-3 4 3 -3 2.420022 -1.826453 1.828531 Rho 0.1240650E+06 3,-3 5 3 -3 2.596381 1.727683 -1.864049 Rho 0.1240650E+06 3,-3 6 3 -3 -2.576572 1.820513 -1.694316 Rho 0.1240650E+06 3,-3 7 3 -3 -2.396955 -2.139964 1.660837 Rho 0.1240650E+06 3,-3 8 3 -3 -2.396955 -2.139964 -1.660837 Rho 0.1240650E+06 3,-3 9 3 -3 -2.576572 1.820513 1.694316 Rho 0.1240650E+06 3,-3 10 3 -3 2.596381 1.727683 1.864049 Rho 0.1240650E+06 3,-3 11 3 -3 2.420022 -1.826453 -1.828531 Rho 0.1240650E+06 3,-3 12 3 -3 -0.076901 -0.056192 0.000000 Rho 0.1943332E+04 3,-3 13 3 -3 0.919983 -0.077592 1.332754 Rho 0.3187060E+03 3,-3 14 3 -3 -1.104747 -1.355380 0.000000 Rho 0.3186773E+03 3,-3 15 3 -3 0.919983 -0.077592 -1.332754 Rho 0.3187060E+03 3,-3 16 3 -3 -0.987381 1.336581 0.000000 Rho 0.3186954E+03 3,-3 17 3 -3 -3.091183 0.111498 1.586562 Rho 0.3192563E+03 3,-3 18 3 -3 3.004591 -1.539298 0.000000 Rho 0.3189686E+03 3,-3 19 3 -3 -3.091183 0.111498 -1.586562 Rho 0.3192563E+03 3,-3 20 3 -3 3.144784 1.707642 0.000000 Rho 0.3189814E+03 3,-3 21 3 -3 1.314739 -3.128294 -1.476170 Rho 0.3194566E+03 3,-3 22 3 -3 1.159726 2.882296 1.293326 Rho 0.3190171E+03 3,-3 23 3 -3 -1.126713 -1.289592 -2.858895 Rho 0.3189705E+03 3,-3 24 3 -3 -1.139869 1.365878 2.919368 Rho 0.3190019E+03 3,-3 25 3 -3 -1.139869 1.365878 -2.919368 Rho 0.3190019E+03 3,-3 26 3 -3 -1.126713 -1.289592 2.858895 Rho 0.3189705E+03 3,-3 27 3 -3 1.159726 2.882296 -1.293326 Rho 0.3190171E+03 3,-3 28 3 -3 1.314739 -3.128294 1.476170 Rho 0.3194566E+03 3,-3 29 3 -3 3.434528 0.116796 2.187308 Rho 0.3191578E+03 3,-3 30 3 -3 -3.433186 -2.272264 0.000000 Rho 0.3190310E+03 3,-3 31 3 -3 3.434528 0.116796 -2.187308 Rho 0.3191578E+03 3,-3 32 3 -3 -3.423164 2.345235 0.000000 Rho 0.3190403E+03 3,-3 33 3 -3 1.493573 1.395459 3.514625 Rho 0.3190575E+03 3,-3 34 3 -3 1.529143 -1.312755 -3.534246 Rho 0.3190499E+03 3,-3 35 3 -3 -1.450422 3.568885 1.365635 Rho 0.3190909E+03 3,-3 36 3 -3 -1.741278 -3.762860 -1.688514 Rho 0.3193652E+03 3,-3 37 3 -3 -1.741278 -3.762860 1.688514 Rho 0.3193652E+03 3,-3 38 3 -3 -1.450422 3.568885 -1.365635 Rho 0.3190909E+03 3,-3 39 3 -3 1.529143 -1.312755 3.534246 Rho 0.3190499E+03 3,-3 40 3 -3 1.493573 1.395459 -3.514625 Rho 0.3190575E+03 3,-3 41 3 -3 -0.242523 0.010416 5.241972 Rho 0.3193620E+03 3,-3 42 3 -3 3.829842 -2.649409 -2.502994 Rho 0.3193058E+03 3,-3 43 3 -3 -0.242523 0.010416 -5.241972 Rho 0.3193621E+03 3,-3 44 3 -3 0.309064 5.300189 0.000000 Rho 0.3193195E+03 3,-3 45 3 -3 3.829842 -2.649409 2.502994 Rho 0.3193058E+03 3,-3 46 3 -3 3.726261 2.888921 -2.534541 Rho 0.3193402E+03 3,-3 47 3 -3 -3.723877 2.568375 -2.801670 Rho 0.3193212E+03 3,-3 48 3 -3 -3.781191 -2.282950 2.752437 Rho 0.3193049E+03 3,-3 49 3 -3 -3.781191 -2.282950 -2.752437 Rho 0.3193049E+03 3,-3 50 3 -3 -3.723877 2.568375 2.801670 Rho 0.3193212E+03 3,-3 51 3 -3 3.726261 2.888921 2.534541 Rho 0.3193402E+03 3,-3 52 3 +1 -2.990129 -0.468702 -0.000000 Rho 0.4961034E-02 |GRAD(Rho)| 0.9108702E-17 GRAD(Rho)x 0.1506161E-17 GRAD(Rho)y -0.4059221E-17 GRAD(Rho)z -0.8013904E-17 Laplacian 0.2013813E-01 (-1/4)Del**2(Rho)) -0.5034533E-02 Diamond 0.2668207E-03 Metallicity 0.4937960E+00 Ellipticity -0.1156963E+01 Gb(Abramov) 0.3770694E-02 Vb(Abramov) -0.2506855E-02 Hb(Abramov) 0.1263839E-02 Ex_ueg -0.6249059E-03 Ec_ueg -0.1452363E-03 Delta_ex -0.8140593E-03 Delta_ec 0.3026207E-03 Delta_et -0.1773773E-02 Pxc 0.4302684E+01 Qxc -0.2690032E+01 3,+1 53 3 -1 -3.187979 2.221086 2.283558 Rho 0.2135629E+00 |GRAD(Rho)| 0.1554586E-14 GRAD(Rho)x -0.1010097E-14 GRAD(Rho)y 0.7348722E-15 GRAD(Rho)z 0.9254208E-15 Laplacian 0.7987167E+00 (-1/4)Del**2(Rho)) -0.1996792E+00 Diamond 0.2446918E+01 Metallicity 0.6583094E+01 Ellipticity 0.9496132E-02 Gb(Abramov) 0.3522039E+00 Vb(Abramov) -0.5047286E+00 Hb(Abramov) -0.1525247E+00 Ex_ueg -0.9427997E-01 Ec_ueg -0.1263077E-01 Delta_ex -0.9357425E-01 Delta_ec 0.1816159E-01 Delta_et -0.2497979E+00 Pxc 0.7464310E+01 Qxc -0.5152316E+01 3,-1 54 3 +1 -0.532715 0.794361 1.551246 Rho 0.8628210E-02 |GRAD(Rho)| 0.2386623E-16 GRAD(Rho)x 0.7933054E-17 GRAD(Rho)y -0.2148062E-16 GRAD(Rho)z -0.6726550E-17 Laplacian 0.3406849E-01 (-1/4)Del**2(Rho)) -0.8517122E-02 Diamond 0.8933248E-03 Metallicity 0.7341669E+00 Ellipticity -0.1407727E+01 Gb(Abramov) 0.6720246E-02 Vb(Abramov) -0.4923371E-02 Hb(Abramov) 0.1796876E-02 Ex_ueg -0.1307011E-02 Ec_ueg -0.3062425E-03 Delta_ex -0.1547592E-02 Delta_ec 0.4614012E-03 Delta_et -0.3170921E-02 Pxc 0.4267897E+01 Qxc -0.3354113E+01 3,+1 55 3 -1 -3.187979 2.221086 -2.283558 Rho 0.2135629E+00 |GRAD(Rho)| 0.5741793E-14 GRAD(Rho)x 0.3813085E-14 GRAD(Rho)y -0.2366488E-14 GRAD(Rho)z 0.3581662E-14 Laplacian 0.7987167E+00 (-1/4)Del**2(Rho)) -0.1996792E+00 Diamond 0.2446918E+01 Metallicity 0.6583094E+01 Ellipticity 0.9496132E-02 Gb(Abramov) 0.3522039E+00 Vb(Abramov) -0.5047286E+00 Hb(Abramov) -0.1525247E+00 Ex_ueg -0.9427997E-01 Ec_ueg -0.1263077E-01 Delta_ex -0.9357425E-01 Delta_ec 0.1816159E-01 Delta_et -0.2497979E+00 Pxc 0.7464310E+01 Qxc -0.5152316E+01 3,-1 56 3 -1 -3.004815 2.091732 -0.793201 Rho 0.1284672E+00 |GRAD(Rho)| 0.1699755E-14 GRAD(Rho)x -0.2366813E-15 GRAD(Rho)y 0.1244522E-14 GRAD(Rho)z 0.1133276E-14 Laplacian 0.4933574E+00 (-1/4)Del**2(Rho)) -0.1233393E+00 Diamond 0.8313077E+00 Metallicity 0.4568486E+01 Ellipticity 0.5095908E-01 Gb(Abramov) 0.1761386E+00 Vb(Abramov) -0.2289378E+00 Hb(Abramov) -0.5279922E-01 Ex_ueg -0.4787495E-01 Ec_ueg -0.7079713E-02 Delta_ex -0.5103832E-01 Delta_ec 0.1302754E-01 Delta_et -0.1694418E+00 Pxc 0.6762272E+01 Qxc -0.3917725E+01 3,-1 57 3 +1 -2.204564 1.788677 -0.000000 Rho 0.2662762E-01 |GRAD(Rho)| 0.7197069E-15 GRAD(Rho)x 0.6583703E-15 GRAD(Rho)y -0.2905323E-15 GRAD(Rho)z -0.1084422E-16 Laplacian 0.1015530E+00 (-1/4)Del**2(Rho)) -0.2538825E-01 Diamond 0.1442477E-01 Metallicity 0.1611168E+01 Ellipticity -0.4737271E+01 Gb(Abramov) 0.2374296E-01 Vb(Abramov) -0.2209767E-01 Hb(Abramov) 0.1645293E-02 Ex_ueg -0.5872570E-02 Ec_ueg -0.1171006E-02 Delta_ex -0.6417345E-02 Delta_ec 0.1712160E-02 Delta_et -0.1534938E-01 Pxc 0.5014977E+01 Qxc -0.3748099E+01 3,+1 58 3 -1 -3.004815 2.091732 0.793201 Rho 0.1284672E+00 |GRAD(Rho)| 0.1249757E-13 GRAD(Rho)x 0.4965558E-14 GRAD(Rho)y -0.2264339E-14 GRAD(Rho)z 0.1124301E-13 Laplacian 0.4933574E+00 (-1/4)Del**2(Rho)) -0.1233393E+00 Diamond 0.8313077E+00 Metallicity 0.4568486E+01 Ellipticity 0.5095908E-01 Gb(Abramov) 0.1761386E+00 Vb(Abramov) -0.2289378E+00 Hb(Abramov) -0.5279922E-01 Ex_ueg -0.4787495E-01 Ec_ueg -0.7079713E-02 Delta_ex -0.5103832E-01 Delta_ec 0.1302754E-01 Delta_et -0.1694418E+00 Pxc 0.6762272E+01 Qxc -0.3917725E+01 3,-1 59 3 +3 -1.908866 2.790512 -0.000000 Rho 0.1190302E-01 |GRAD(Rho)| 0.4495024E-16 GRAD(Rho)x 0.2535917E-16 GRAD(Rho)y -0.3643650E-16 GRAD(Rho)z -0.7058203E-17 Laplacian 0.5245596E-01 (-1/4)Del**2(Rho)) -0.1311399E-01 Diamond 0.1238200E-02 Metallicity 0.8151671E+00 Ellipticity -0.8179897E+00 Gb(Abramov) 0.1052434E-01 Vb(Abramov) -0.7934694E-02 Hb(Abramov) 0.2589648E-02 Ex_ueg -0.2007217E-02 Ec_ueg -0.4550937E-03 Delta_ex -0.2327415E-02 Delta_ec 0.2425324E-03 Delta_et -0.2153287E-02 Pxc 0.4410558E+01 Qxc -0.9596307E+01 3,+3 60 3 +1 -1.994644 2.935494 -0.000000 Rho 0.1195829E-01 |GRAD(Rho)| 0.1435034E-16 GRAD(Rho)x 0.1193793E-16 GRAD(Rho)y -0.7782648E-17 GRAD(Rho)z -0.1687715E-17 Laplacian 0.5360444E-01 (-1/4)Del**2(Rho)) -0.1340111E-01 Diamond 0.1648065E-02 Metallicity 0.8038857E+00 Ellipticity -0.1122835E+01 Gb(Abramov) 0.1072957E-01 Vb(Abramov) -0.8058023E-02 Hb(Abramov) 0.2671543E-02 Ex_ueg -0.2019655E-02 Ec_ueg -0.4576439E-03 Delta_ex -0.2490322E-02 Delta_ec 0.4419823E-03 Delta_et -0.3506711E-02 Pxc 0.4413158E+01 Qxc -0.5634438E+01 3,+1 61 3 +1 -0.244280 -2.570472 -1.879918 Rho 0.3746040E-02 |GRAD(Rho)| 0.3914118E-14 GRAD(Rho)x -0.2287394E-14 GRAD(Rho)y -0.2683341E-14 GRAD(Rho)z 0.1699361E-14 Laplacian 0.1484284E-01 (-1/4)Del**2(Rho)) -0.3710710E-02 Diamond 0.1960536E-03 Metallicity 0.4194853E+00 Ellipticity -0.1574529E+01 Gb(Abramov) 0.2733238E-02 Vb(Abramov) -0.1755766E-02 Hb(Abramov) 0.9774720E-03 Ex_ueg -0.4296831E-03 Ec_ueg -0.9335544E-04 Delta_ex -0.6458749E-03 Delta_ec 0.3728187E-03 Delta_et -0.1895138E-02 Pxc 0.4602657E+01 Qxc -0.1732410E+01 3,+1 62 3 -1 -2.046553 -3.006321 -1.675078 Rho 0.2193933E+00 |GRAD(Rho)| 0.3249573E-10 GRAD(Rho)x 0.1220790E-10 GRAD(Rho)y -0.3011163E-10 GRAD(Rho)z -0.4789445E-12 Laplacian 0.8178648E+00 (-1/4)Del**2(Rho)) -0.2044662E+00 Diamond 0.2587934E+01 Metallicity 0.6724148E+01 Ellipticity 0.6645362E-02 Gb(Abramov) 0.3654543E+00 Vb(Abramov) -0.5264424E+00 Hb(Abramov) -0.1609881E+00 Ex_ueg -0.9772736E-01 Ec_ueg -0.1302627E-01 Delta_ex -0.9648560E-01 Delta_ec 0.1845389E-01 Delta_et -0.2542133E+00 Pxc 0.7502327E+01 Qxc -0.5228468E+01 3,-1 63 3 -1 -2.046553 -3.006321 1.675078 Rho 0.2193933E+00 |GRAD(Rho)| 0.1314733E-13 GRAD(Rho)x -0.5101957E-14 GRAD(Rho)y 0.1211488E-13 GRAD(Rho)z -0.2280492E-15 Laplacian 0.8178648E+00 (-1/4)Del**2(Rho)) -0.2044662E+00 Diamond 0.2587934E+01 Metallicity 0.6724148E+01 Ellipticity 0.6645362E-02 Gb(Abramov) 0.3654543E+00 Vb(Abramov) -0.5264424E+00 Hb(Abramov) -0.1609881E+00 Ex_ueg -0.9772736E-01 Ec_ueg -0.1302627E-01 Delta_ex -0.9648560E-01 Delta_ec 0.1845389E-01 Delta_et -0.2542133E+00 Pxc 0.7502327E+01 Qxc -0.5228468E+01 3,-1 64 3 +1 -0.244280 -2.570472 1.879918 Rho 0.3746040E-02 |GRAD(Rho)| 0.3916763E-14 GRAD(Rho)x -0.2288888E-14 GRAD(Rho)y -0.2685357E-14 GRAD(Rho)z -0.1700260E-14 Laplacian 0.1484284E-01 (-1/4)Del**2(Rho)) -0.3710710E-02 Diamond 0.1960536E-03 Metallicity 0.4194853E+00 Ellipticity -0.1574529E+01 Gb(Abramov) 0.2733238E-02 Vb(Abramov) -0.1755766E-02 Hb(Abramov) 0.9774720E-03 Ex_ueg -0.4296831E-03 Ec_ueg -0.9335544E-04 Delta_ex -0.6458749E-03 Delta_ec 0.3728187E-03 Delta_et -0.1895138E-02 Pxc 0.4602657E+01 Qxc -0.1732410E+01 3,+1 65 3 -1 -0.207863 -3.401325 1.578469 Rho 0.5713452E-02 |GRAD(Rho)| 0.4259801E-14 GRAD(Rho)x 0.1634508E-14 GRAD(Rho)y -0.3795749E-14 GRAD(Rho)z 0.1032754E-14 Laplacian 0.2275501E-01 (-1/4)Del**2(Rho)) -0.5688751E-02 Diamond 0.9642228E-03 Metallicity 0.5529687E+00 Ellipticity 0.1663394E+00 Gb(Abramov) 0.4316785E-02 Vb(Abramov) -0.2944818E-02 Hb(Abramov) 0.1371967E-02 Ex_ueg -0.7543679E-03 Ec_ueg -0.1777436E-03 Delta_ex -0.1417114E-02 Delta_ec 0.1173540E-02 Delta_et -0.6451798E-02 Pxc 0.4244135E+01 Qxc -0.1207555E+01 3,-1 66 3 -1 -0.207863 -3.401325 -1.578469 Rho 0.5713452E-02 |GRAD(Rho)| 0.4255194E-14 GRAD(Rho)x 0.1622761E-14 GRAD(Rho)y -0.3795815E-14 GRAD(Rho)z -0.1032043E-14 Laplacian 0.2275501E-01 (-1/4)Del**2(Rho)) -0.5688751E-02 Diamond 0.9642228E-03 Metallicity 0.5529687E+00 Ellipticity 0.1663394E+00 Gb(Abramov) 0.4316785E-02 Vb(Abramov) -0.2944818E-02 Hb(Abramov) 0.1371967E-02 Ex_ueg -0.7543679E-03 Ec_ueg -0.1777436E-03 Delta_ex -0.1417114E-02 Delta_ec 0.1173540E-02 Delta_et -0.6451798E-02 Pxc 0.4244135E+01 Qxc -0.1207555E+01 3,-1 67 3 +1 -2.236972 -1.841336 0.000000 Rho 0.3288262E-01 |GRAD(Rho)| 0.4945366E-15 GRAD(Rho)x 0.8639324E-17 GRAD(Rho)y -0.4935852E-15 GRAD(Rho)z 0.2941906E-16 Laplacian 0.1368630E+00 (-1/4)Del**2(Rho)) -0.3421575E-01 Diamond 0.2645744E-01 Metallicity 0.1699304E+01 Ellipticity -0.5896961E+01 Gb(Abramov) 0.3250100E-01 Vb(Abramov) -0.3078624E-01 Hb(Abramov) 0.1714754E-02 Ex_ueg -0.7780491E-02 Ec_ueg -0.1493232E-02 Delta_ex -0.9190252E-02 Delta_ec 0.2368653E-02 Delta_et -0.2232136E-01 Pxc 0.5210502E+01 Qxc -0.3879949E+01 3,+1 68 3 -1 -2.744553 -0.965051 -1.619245 Rho 0.4756287E-01 |GRAD(Rho)| 0.7886547E-13 GRAD(Rho)x 0.2091909E-13 GRAD(Rho)y -0.4544980E-13 GRAD(Rho)z -0.6096286E-13 Laplacian 0.1963843E+00 (-1/4)Del**2(Rho)) -0.4909607E-01 Diamond 0.9769507E-01 Metallicity 0.2190886E+01 Ellipticity 0.1265698E-01 Gb(Abramov) 0.5065803E-01 Vb(Abramov) -0.5221999E-01 Hb(Abramov) -0.1561962E-02 Ex_ueg -0.1272748E-01 Ec_ueg -0.2280608E-02 Delta_ex -0.1617877E-01 Delta_ec 0.6238656E-02 Delta_et -0.6502281E-01 Pxc 0.5580741E+01 Qxc -0.2593311E+01 3,-1 69 3 +3 -1.192245 0.009761 1.539743 Rho 0.4958692E-02 |GRAD(Rho)| 0.6608622E-17 GRAD(Rho)x 0.2281975E-17 GRAD(Rho)y 0.4271618E-18 GRAD(Rho)z -0.6187407E-17 Laplacian 0.1960578E-01 (-1/4)Del**2(Rho)) -0.4901445E-02 Diamond 0.1363274E-03 Metallicity 0.5068050E+00 Ellipticity -0.3406984E+00 Gb(Abramov) 0.3681643E-02 Vb(Abramov) -0.2461841E-02 Hb(Abramov) 0.1219802E-02 Ex_ueg -0.6245126E-03 Ec_ueg -0.1451356E-03 Delta_ex -0.6767102E-03 Delta_ec 0.8797572E-04 Delta_et -0.6908222E-03 Pxc 0.4302960E+01 Qxc -0.7692010E+01 3,+3 70 3 +1 -1.785130 0.015640 2.410292 Rho 0.1057656E-01 |GRAD(Rho)| 0.1571417E-16 GRAD(Rho)x 0.7744177E-17 GRAD(Rho)y 0.1272377E-16 GRAD(Rho)z 0.5006839E-17 Laplacian 0.5034558E-01 (-1/4)Del**2(Rho)) -0.1258640E-01 Diamond 0.1760299E-02 Metallicity 0.6975238E+00 Ellipticity -0.1305357E+01 Gb(Abramov) 0.9854149E-02 Vb(Abramov) -0.7121902E-02 Hb(Abramov) 0.2732247E-02 Ex_ueg -0.1714658E-02 Ec_ueg -0.3942632E-03 Delta_ex -0.2415726E-02 Delta_ec 0.6922039E-03 Delta_et -0.5000005E-02 Pxc 0.4349019E+01 Qxc -0.3489905E+01 3,+1 71 3 +3 -1.192245 0.009761 -1.539743 Rho 0.4958692E-02 |GRAD(Rho)| 0.5388659E-13 GRAD(Rho)x 0.3391619E-13 GRAD(Rho)y -0.4163413E-13 GRAD(Rho)z 0.4478335E-14 Laplacian 0.1960578E-01 (-1/4)Del**2(Rho)) -0.4901445E-02 Diamond 0.1363274E-03 Metallicity 0.5068050E+00 Ellipticity -0.3406984E+00 Gb(Abramov) 0.3681643E-02 Vb(Abramov) -0.2461841E-02 Hb(Abramov) 0.1219802E-02 Ex_ueg -0.6245126E-03 Ec_ueg -0.1451356E-03 Delta_ex -0.6767102E-03 Delta_ec 0.8797572E-04 Delta_et -0.6908222E-03 Pxc 0.4302960E+01 Qxc -0.7692010E+01 3,+3 72 3 +3 -2.432712 -0.065844 -0.000000 Rho 0.4934669E-02 |GRAD(Rho)| 0.2269197E-14 GRAD(Rho)x 0.1743990E-14 GRAD(Rho)y -0.1451809E-14 GRAD(Rho)z -0.2031836E-17 Laplacian 0.2039837E-01 (-1/4)Del**2(Rho)) -0.5099592E-02 Diamond 0.2083091E-03 Metallicity 0.4831861E+00 Ellipticity -0.8119657E+00 Gb(Abramov) 0.3810403E-02 Vb(Abramov) -0.2521215E-02 Hb(Abramov) 0.1289189E-02 Ex_ueg -0.6204819E-03 Ec_ueg -0.1441024E-03 Delta_ex -0.7668227E-03 Delta_ec 0.2052671E-03 Delta_et -0.1287335E-02 Pxc 0.4305839E+01 Qxc -0.3735732E+01 3,+3 73 3 +1 -1.784393 -0.006967 0.714577 Rho 0.8858281E-02 |GRAD(Rho)| 0.4299172E-17 GRAD(Rho)x 0.3453890E-17 GRAD(Rho)y -0.1375300E-17 GRAD(Rho)z -0.2159184E-17 Laplacian 0.3558390E-01 (-1/4)Del**2(Rho)) -0.8895975E-02 Diamond 0.1010836E-02 Metallicity 0.7344158E+00 Ellipticity -0.1447360E+01 Gb(Abramov) 0.7019541E-02 Vb(Abramov) -0.5143107E-02 Hb(Abramov) 0.1876434E-02 Ex_ueg -0.1353685E-02 Ec_ueg -0.3165511E-03 Delta_ex -0.1646240E-02 Delta_ec 0.5157024E-03 Delta_et -0.3539641E-02 Pxc 0.4276356E+01 Qxc -0.3192229E+01 3,+1 74 3 +1 -1.784393 -0.006967 -0.714577 Rho 0.8858281E-02 |GRAD(Rho)| 0.5464026E-17 GRAD(Rho)x 0.5411365E-17 GRAD(Rho)y -0.6904249E-18 GRAD(Rho)z 0.3098712E-18 Laplacian 0.3558390E-01 (-1/4)Del**2(Rho)) -0.8895975E-02 Diamond 0.1010836E-02 Metallicity 0.7344158E+00 Ellipticity -0.1447360E+01 Gb(Abramov) 0.7019541E-02 Vb(Abramov) -0.5143107E-02 Hb(Abramov) 0.1876434E-02 Ex_ueg -0.1353685E-02 Ec_ueg -0.3165511E-03 Delta_ex -0.1646240E-02 Delta_ec 0.5157024E-03 Delta_et -0.3539641E-02 Pxc 0.4276356E+01 Qxc -0.3192229E+01 3,+1 75 3 +1 -2.593499 -0.264577 -0.000000 Rho 0.4967706E-02 |GRAD(Rho)| 0.2321038E-16 GRAD(Rho)x -0.5106622E-17 GRAD(Rho)y 0.2193611E-16 GRAD(Rho)z 0.5608139E-17 Laplacian 0.2032976E-01 (-1/4)Del**2(Rho)) -0.5082439E-02 Diamond 0.2514434E-03 Metallicity 0.4902386E+00 Ellipticity -0.1083548E+01 Gb(Abramov) 0.3803561E-02 Vb(Abramov) -0.2524682E-02 Hb(Abramov) 0.1278878E-02 Ex_ueg -0.6260268E-03 Ec_ueg -0.1455233E-03 Delta_ex -0.8048273E-03 Delta_ec 0.2747203E-03 Delta_et -0.1636917E-02 Pxc 0.4301900E+01 Qxc -0.2929624E+01 3,+1 76 3 +1 -1.785130 0.015640 -2.410292 Rho 0.1057656E-01 |GRAD(Rho)| 0.1013217E-16 GRAD(Rho)x -0.4303226E-17 GRAD(Rho)y -0.8896350E-17 GRAD(Rho)z -0.2235647E-17 Laplacian 0.5034558E-01 (-1/4)Del**2(Rho)) -0.1258640E-01 Diamond 0.1760299E-02 Metallicity 0.6975238E+00 Ellipticity -0.1305357E+01 Gb(Abramov) 0.9854149E-02 Vb(Abramov) -0.7121902E-02 Hb(Abramov) 0.2732247E-02 Ex_ueg -0.1714658E-02 Ec_ueg -0.3942632E-03 Delta_ex -0.2415726E-02 Delta_ec 0.6922039E-03 Delta_et -0.5000005E-02 Pxc 0.4349019E+01 Qxc -0.3489905E+01 3,+1 77 3 -1 -0.539026 0.728862 -3.190606 Rho 0.1323646E+00 |GRAD(Rho)| 0.7850523E-13 GRAD(Rho)x 0.5371691E-13 GRAD(Rho)y 0.3415599E-13 GRAD(Rho)z 0.4594490E-13 Laplacian 0.5510300E+00 (-1/4)Del**2(Rho)) -0.1377575E+00 Diamond 0.9515721E+00 Metallicity 0.4299235E+01 Ellipticity 0.1908657E-01 Gb(Abramov) 0.1905470E+00 Vb(Abramov) -0.2433365E+00 Hb(Abramov) -0.5278948E-01 Ex_ueg -0.4982122E-01 Ec_ueg -0.7324345E-02 Delta_ex -0.5728895E-01 Delta_ec 0.1421871E-01 Delta_et -0.1853978E+00 Pxc 0.6802140E+01 Qxc -0.4029125E+01 3,-1 78 3 +1 -0.564915 -0.847773 -1.484060 Rho 0.9895568E-02 |GRAD(Rho)| 0.1324596E-12 GRAD(Rho)x 0.1080943E-12 GRAD(Rho)y 0.7591469E-13 GRAD(Rho)z 0.9905431E-14 Laplacian 0.4042647E-01 (-1/4)Del**2(Rho)) -0.1010662E-01 Diamond 0.1289228E-02 Metallicity 0.7774669E+00 Ellipticity -0.1434931E+01 Gb(Abramov) 0.8047337E-02 Vb(Abramov) -0.5988059E-02 Hb(Abramov) 0.2059279E-02 Ex_ueg -0.1569059E-02 Ec_ueg -0.3633140E-03 Delta_ex -0.1906243E-02 Delta_ec 0.5549229E-03 Delta_et -0.3942337E-02 Pxc 0.4318742E+01 Qxc -0.3435150E+01 3,+1 79 3 +1 -0.532715 0.794361 -1.551246 Rho 0.8628210E-02 |GRAD(Rho)| 0.5508766E-16 GRAD(Rho)x 0.4876482E-17 GRAD(Rho)y -0.4787984E-16 GRAD(Rho)z -0.2680282E-16 Laplacian 0.3406849E-01 (-1/4)Del**2(Rho)) -0.8517122E-02 Diamond 0.8933248E-03 Metallicity 0.7341669E+00 Ellipticity -0.1407727E+01 Gb(Abramov) 0.6720246E-02 Vb(Abramov) -0.4923371E-02 Hb(Abramov) 0.1796876E-02 Ex_ueg -0.1307011E-02 Ec_ueg -0.3062425E-03 Delta_ex -0.1547592E-02 Delta_ec 0.4614012E-03 Delta_et -0.3170921E-02 Pxc 0.4267897E+01 Qxc -0.3354113E+01 3,+1 80 3 -1 -0.452365 0.518452 -0.000000 Rho 0.1356722E+00 |GRAD(Rho)| 0.2931968E-15 GRAD(Rho)x -0.1732363E-15 GRAD(Rho)y 0.2365449E-15 GRAD(Rho)z 0.2673441E-18 Laplacian 0.6960006E+00 (-1/4)Del**2(Rho)) -0.1740002E+00 Diamond 0.1496084E+01 Metallicity 0.3546676E+01 Ellipticity 0.3699120E-02 Gb(Abramov) 0.2188538E+00 Vb(Abramov) -0.2637074E+00 Hb(Abramov) -0.4485364E-01 Ex_ueg -0.5148801E-01 Ec_ueg -0.7532735E-02 Delta_ex -0.7573405E-01 Delta_ec 0.2309797E-01 Delta_et -0.3128996E+00 Pxc 0.6835234E+01 Qxc -0.3278818E+01 3,-1 81 3 +1 -0.564915 -0.847773 1.484060 Rho 0.9895568E-02 |GRAD(Rho)| 0.1324616E-12 GRAD(Rho)x 0.1080945E-12 GRAD(Rho)y 0.7591848E-13 GRAD(Rho)z -0.9901668E-14 Laplacian 0.4042647E-01 (-1/4)Del**2(Rho)) -0.1010662E-01 Diamond 0.1289228E-02 Metallicity 0.7774669E+00 Ellipticity -0.1434931E+01 Gb(Abramov) 0.8047337E-02 Vb(Abramov) -0.5988059E-02 Hb(Abramov) 0.2059279E-02 Ex_ueg -0.1569059E-02 Ec_ueg -0.3633140E-03 Delta_ex -0.1906243E-02 Delta_ec 0.5549229E-03 Delta_et -0.3942337E-02 Pxc 0.4318742E+01 Qxc -0.3435150E+01 3,+1 82 3 -1 -0.539026 0.728862 3.190606 Rho 0.1323646E+00 |GRAD(Rho)| 0.7843883E-13 GRAD(Rho)x 0.5389028E-13 GRAD(Rho)y 0.3383692E-13 GRAD(Rho)z -0.4586448E-13 Laplacian 0.5510300E+00 (-1/4)Del**2(Rho)) -0.1377575E+00 Diamond 0.9515721E+00 Metallicity 0.4299235E+01 Ellipticity 0.1908657E-01 Gb(Abramov) 0.1905470E+00 Vb(Abramov) -0.2433365E+00 Hb(Abramov) -0.5278948E-01 Ex_ueg -0.4982122E-01 Ec_ueg -0.7324345E-02 Delta_ex -0.5728895E-01 Delta_ec 0.1421871E-01 Delta_et -0.1853978E+00 Pxc 0.6802140E+01 Qxc -0.4029125E+01 3,-1 83 3 +3 1.168906 1.454386 -0.000000 Rho 0.4280810E-02 |GRAD(Rho)| 0.6048950E-12 GRAD(Rho)x -0.5240912E-14 GRAD(Rho)y 0.4419198E-12 GRAD(Rho)z -0.4130102E-12 Laplacian 0.1672582E-01 (-1/4)Del**2(Rho)) -0.4181454E-02 Diamond 0.1031208E-03 Metallicity 0.4649817E+00 Ellipticity -0.3783585E+00 Gb(Abramov) 0.3111686E-02 Vb(Abramov) -0.2041918E-02 Hb(Abramov) 0.1069768E-02 Ex_ueg -0.5133573E-03 Ec_ueg -0.1160956E-03 Delta_ex -0.5635097E-03 Delta_ec 0.9136008E-04 Delta_et -0.6520133E-03 Pxc 0.4421848E+01 Qxc -0.6168008E+01 3,+3 84 3 +3 -0.223842 -2.288919 -1.423888 Rho 0.3386992E-02 |GRAD(Rho)| 0.1520148E-12 GRAD(Rho)x -0.1505838E-12 GRAD(Rho)y 0.1299400E-13 GRAD(Rho)z -0.1625292E-13 Laplacian 0.1349810E-01 (-1/4)Del**2(Rho)) -0.3374525E-02 Diamond 0.1192024E-03 Metallicity 0.3899697E+00 Ellipticity -0.7736412E+00 Gb(Abramov) 0.2469010E-02 Vb(Abramov) -0.1563496E-02 Hb(Abramov) 0.9055145E-03 Ex_ueg -0.3756679E-03 Ec_ueg -0.7817292E-04 Delta_ex -0.5187512E-03 Delta_ec 0.2372700E-03 Delta_et -0.1223624E-02 Pxc 0.4805601E+01 Qxc -0.2186332E+01 3,+3 85 3 +3 -0.223842 -2.288919 1.423888 Rho 0.3386992E-02 |GRAD(Rho)| 0.8632903E-17 GRAD(Rho)x 0.5992438E-17 GRAD(Rho)y -0.6054043E-17 GRAD(Rho)z -0.1402236E-17 Laplacian 0.1349810E-01 (-1/4)Del**2(Rho)) -0.3374525E-02 Diamond 0.1192024E-03 Metallicity 0.3899697E+00 Ellipticity -0.7736412E+00 Gb(Abramov) 0.2469010E-02 Vb(Abramov) -0.1563496E-02 Hb(Abramov) 0.9055145E-03 Ex_ueg -0.3756679E-03 Ec_ueg -0.7817292E-04 Delta_ex -0.5187512E-03 Delta_ec 0.2372700E-03 Delta_et -0.1223624E-02 Pxc 0.4805601E+01 Qxc -0.2186332E+01 3,+3 86 3 -1 -0.527864 -0.653385 -3.160711 Rho 0.1272910E+00 |GRAD(Rho)| 0.1559705E-13 GRAD(Rho)x -0.2680114E-14 GRAD(Rho)y -0.5387353E-14 GRAD(Rho)z 0.1438963E-13 Laplacian 0.5361106E+00 (-1/4)Del**2(Rho)) -0.1340277E+00 Diamond 0.8826297E+00 Metallicity 0.4140201E+01 Ellipticity 0.1935484E-01 Gb(Abramov) 0.1818353E+00 Vb(Abramov) -0.2296430E+00 Hb(Abramov) -0.4780769E-01 Ex_ueg -0.4729137E-01 Ec_ueg -0.7006079E-02 Delta_ex -0.5520493E-01 Delta_ec 0.1394866E-01 Delta_et -0.1807168E+00 Pxc 0.6750048E+01 Qxc -0.3957724E+01 3,-1 87 3 +1 1.748316 0.745388 0.000000 Rho 0.6365978E-02 |GRAD(Rho)| 0.7259347E-17 GRAD(Rho)x 0.5099246E-18 GRAD(Rho)y 0.4602206E-17 GRAD(Rho)z 0.5590867E-17 Laplacian 0.2424318E-01 (-1/4)Del**2(Rho)) -0.6060796E-02 Diamond 0.4406708E-03 Metallicity 0.6215348E+00 Ellipticity -0.1379485E+01 Gb(Abramov) 0.4668363E-02 Vb(Abramov) -0.3275930E-02 Hb(Abramov) 0.1392433E-02 Ex_ueg -0.8713754E-03 Ec_ueg -0.2061619E-03 Delta_ex -0.1033952E-02 Delta_ec 0.3528137E-03 Delta_et -0.2220133E-02 Pxc 0.4226656E+01 Qxc -0.2930588E+01 3,+1 88 3 -1 0.520232 -0.019816 -2.389227 Rho 0.5360956E-01 |GRAD(Rho)| 0.4575033E-14 GRAD(Rho)x 0.3202305E-14 GRAD(Rho)y -0.2722917E-14 GRAD(Rho)z 0.1806072E-14 Laplacian 0.2079438E+00 (-1/4)Del**2(Rho)) -0.5198596E-01 Diamond 0.1156152E+00 Metallicity 0.2525830E+01 Ellipticity 0.8563918E-02 Gb(Abramov) 0.5654192E-01 Vb(Abramov) -0.6109789E-01 Hb(Abramov) -0.4555963E-02 Ex_ueg -0.1492937E-01 Ec_ueg -0.2615347E-02 Delta_ex -0.1740942E-01 Delta_ec 0.6173375E-02 Delta_et -0.6627917E-01 Pxc 0.5708368E+01 Qxc -0.2820081E+01 3,-1 89 3 +1 1.643744 -0.743625 -0.000000 Rho 0.9271188E-02 |GRAD(Rho)| 0.8355384E-17 GRAD(Rho)x -0.7998025E-17 GRAD(Rho)y 0.1714594E-17 GRAD(Rho)z 0.1704175E-17 Laplacian 0.3844967E-01 (-1/4)Del**2(Rho)) -0.9612417E-02 Diamond 0.1098749E-02 Metallicity 0.7332964E+00 Ellipticity -0.1372048E+01 Gb(Abramov) 0.7583070E-02 Vb(Abramov) -0.5553723E-02 Hb(Abramov) 0.2029347E-02 Ex_ueg -0.1438464E-02 Ec_ueg -0.3351100E-03 Delta_ex -0.1773569E-02 Delta_ec 0.5110304E-03 Delta_et -0.3584640E-02 Pxc 0.4292511E+01 Qxc -0.3470575E+01 3,+1 90 3 +1 1.387384 0.772175 -2.262315 Rho 0.2323706E-01 |GRAD(Rho)| 0.1892154E-16 GRAD(Rho)x 0.7520711E-17 GRAD(Rho)y 0.1673649E-16 GRAD(Rho)z 0.4621007E-17 Laplacian 0.8509116E-01 (-1/4)Del**2(Rho)) -0.2127279E-01 Diamond 0.8707324E-02 Metallicity 0.1532372E+01 Ellipticity -0.2431872E+01 Gb(Abramov) 0.1961483E-01 Vb(Abramov) -0.1795687E-01 Hb(Abramov) 0.1657960E-02 Ex_ueg -0.4897337E-02 Ec_ueg -0.1000369E-02 Delta_ex -0.5027718E-02 Delta_ec 0.1154032E-02 Delta_et -0.1008687E-01 Pxc 0.4895530E+01 Qxc -0.4356655E+01 3,+1 91 3 +1 1.387384 0.772175 2.262315 Rho 0.2323706E-01 |GRAD(Rho)| 0.3792454E-16 GRAD(Rho)x -0.3186137E-16 GRAD(Rho)y -0.2021663E-16 GRAD(Rho)z -0.3796296E-17 Laplacian 0.8509116E-01 (-1/4)Del**2(Rho)) -0.2127279E-01 Diamond 0.8707324E-02 Metallicity 0.1532372E+01 Ellipticity -0.2431872E+01 Gb(Abramov) 0.1961483E-01 Vb(Abramov) -0.1795687E-01 Hb(Abramov) 0.1657960E-02 Ex_ueg -0.4897337E-02 Ec_ueg -0.1000369E-02 Delta_ex -0.5027718E-02 Delta_ec 0.1154032E-02 Delta_et -0.1008687E-01 Pxc 0.4895530E+01 Qxc -0.4356655E+01 3,+1 92 3 +1 0.207923 1.946491 -2.215416 Rho 0.5920539E-02 |GRAD(Rho)| 0.2922169E-13 GRAD(Rho)x -0.3580873E-14 GRAD(Rho)y -0.2256964E-13 GRAD(Rho)z -0.1821253E-13 Laplacian 0.2479441E-01 (-1/4)Del**2(Rho)) -0.6198601E-02 Diamond 0.6663278E-03 Metallicity 0.5385114E+00 Ellipticity -0.2328405E+01 Gb(Abramov) 0.4688737E-02 Vb(Abramov) -0.3178873E-02 Hb(Abramov) 0.1509864E-02 Ex_ueg -0.7910430E-03 Ec_ueg -0.1867400E-03 Delta_ex -0.1230079E-02 Delta_ec 0.7020940E-03 Delta_et -0.4042197E-02 Pxc 0.4236067E+01 Qxc -0.1752015E+01 3,+1 93 3 -1 0.856250 0.752199 -3.501547 Rho 0.1440260E+00 |GRAD(Rho)| 0.4551665E-13 GRAD(Rho)x 0.3433107E-13 GRAD(Rho)y -0.2876478E-13 GRAD(Rho)z -0.8107417E-14 Laplacian 0.5634564E+00 (-1/4)Del**2(Rho)) -0.1408641E+00 Diamond 0.1079136E+01 Metallicity 0.4839726E+01 Ellipticity 0.7012185E-01 Gb(Abramov) 0.2075334E+00 Vb(Abramov) -0.2742026E+00 Hb(Abramov) -0.6666925E-01 Ex_ueg -0.5575786E-01 Ec_ueg -0.8062193E-02 Delta_ex -0.5982266E-01 Delta_ec 0.1428443E-01 Delta_et -0.1887163E+00 Pxc 0.6915967E+01 Qxc -0.4187963E+01 3,-1 94 3 -1 0.856250 0.752199 3.501547 Rho 0.1440260E+00 |GRAD(Rho)| 0.4542962E-13 GRAD(Rho)x 0.3430204E-13 GRAD(Rho)y -0.2866143E-13 GRAD(Rho)z 0.8108196E-14 Laplacian 0.5634564E+00 (-1/4)Del**2(Rho)) -0.1408641E+00 Diamond 0.1079136E+01 Metallicity 0.4839726E+01 Ellipticity 0.7012185E-01 Gb(Abramov) 0.2075334E+00 Vb(Abramov) -0.2742026E+00 Hb(Abramov) -0.6666925E-01 Ex_ueg -0.5575786E-01 Ec_ueg -0.8062193E-02 Delta_ex -0.5982266E-01 Delta_ec 0.1428443E-01 Delta_et -0.1887163E+00 Pxc 0.6915967E+01 Qxc -0.4187963E+01 3,-1 95 3 +1 0.207923 1.946491 2.215416 Rho 0.5920539E-02 |GRAD(Rho)| 0.2922694E-13 GRAD(Rho)x -0.3580847E-14 GRAD(Rho)y -0.2257358E-13 GRAD(Rho)z 0.1821607E-13 Laplacian 0.2479441E-01 (-1/4)Del**2(Rho)) -0.6198601E-02 Diamond 0.6663278E-03 Metallicity 0.5385114E+00 Ellipticity -0.2328405E+01 Gb(Abramov) 0.4688737E-02 Vb(Abramov) -0.3178873E-02 Hb(Abramov) 0.1509864E-02 Ex_ueg -0.7910430E-03 Ec_ueg -0.1867400E-03 Delta_ex -0.1230079E-02 Delta_ec 0.7020940E-03 Delta_et -0.4042197E-02 Pxc 0.4236067E+01 Qxc -0.1752015E+01 3,+1 96 3 -1 1.831873 2.324541 -1.548984 Rho 0.1360627E+00 |GRAD(Rho)| 0.5307555E-13 GRAD(Rho)x 0.2667273E-14 GRAD(Rho)y -0.2740507E-13 GRAD(Rho)z -0.4537468E-13 Laplacian 0.5760278E+00 (-1/4)Del**2(Rho)) -0.1440070E+00 Diamond 0.1020111E+01 Metallicity 0.4305943E+01 Ellipticity 0.1690094E-01 Gb(Abramov) 0.1993523E+00 Vb(Abramov) -0.2546976E+00 Hb(Abramov) -0.5534530E-01 Ex_ueg -0.5168572E-01 Ec_ueg -0.7557388E-02 Delta_ex -0.6019797E-01 Delta_ec 0.1460049E-01 Delta_et -0.1908547E+00 Pxc 0.6839098E+01 Qxc -0.4123012E+01 3,-1 97 3 +1 1.818728 2.460618 -0.000000 Rho 0.1197065E-01 |GRAD(Rho)| 0.1366037E-16 GRAD(Rho)x -0.7646524E-17 GRAD(Rho)y 0.5529504E-17 GRAD(Rho)z -0.9877291E-17 Laplacian 0.5907972E-01 (-1/4)Del**2(Rho)) -0.1476993E-01 Diamond 0.2332353E-02 Metallicity 0.7306414E+00 Ellipticity -0.1253595E+01 Gb(Abramov) 0.1164521E-01 Vb(Abramov) -0.8520484E-02 Hb(Abramov) 0.3124723E-02 Ex_ueg -0.2022439E-02 Ec_ueg -0.4582143E-03 Delta_ex -0.2894313E-02 Delta_ec 0.7528551E-03 Delta_et -0.5652550E-02 Pxc 0.4413740E+01 Qxc -0.3844449E+01 3,+1 98 3 -1 1.831873 2.324541 1.548984 Rho 0.1360627E+00 |GRAD(Rho)| 0.6412330E-13 GRAD(Rho)x 0.5041456E-13 GRAD(Rho)y -0.3305146E-13 GRAD(Rho)z 0.2185798E-13 Laplacian 0.5760278E+00 (-1/4)Del**2(Rho)) -0.1440070E+00 Diamond 0.1020111E+01 Metallicity 0.4305943E+01 Ellipticity 0.1690094E-01 Gb(Abramov) 0.1993523E+00 Vb(Abramov) -0.2546976E+00 Hb(Abramov) -0.5534530E-01 Ex_ueg -0.5168572E-01 Ec_ueg -0.7557388E-02 Delta_ex -0.6019797E-01 Delta_ec 0.1460049E-01 Delta_et -0.1908547E+00 Pxc 0.6839098E+01 Qxc -0.4123012E+01 3,-1 99 3 +1 3.023706 0.076398 -0.306272 Rho 0.5381202E-02 |GRAD(Rho)| 0.4606908E-16 GRAD(Rho)x 0.1067646E-16 GRAD(Rho)y 0.1899490E-16 GRAD(Rho)z -0.4059024E-16 Laplacian 0.2203602E-01 (-1/4)Del**2(Rho)) -0.5509005E-02 Diamond 0.5142781E-03 Metallicity 0.5167479E+00 Ellipticity -0.2147157E+01 Gb(Abramov) 0.4147131E-02 Vb(Abramov) -0.2785258E-02 Hb(Abramov) 0.1361874E-02 Ex_ueg -0.6964513E-03 Ec_ueg -0.1633542E-03 Delta_ex -0.1066747E-02 Delta_ec 0.6142847E-03 Delta_et -0.3442358E-02 Pxc 0.4263444E+01 Qxc -0.1736567E+01 3,+1 100 3 +1 3.023706 0.076398 0.306272 Rho 0.5381202E-02 |GRAD(Rho)| 0.4252977E-16 GRAD(Rho)x 0.1015411E-16 GRAD(Rho)y 0.1079432E-16 GRAD(Rho)z 0.3986424E-16 Laplacian 0.2203602E-01 (-1/4)Del**2(Rho)) -0.5509005E-02 Diamond 0.5142781E-03 Metallicity 0.5167479E+00 Ellipticity -0.2147157E+01 Gb(Abramov) 0.4147131E-02 Vb(Abramov) -0.2785258E-02 Hb(Abramov) 0.1361874E-02 Ex_ueg -0.6964513E-03 Ec_ueg -0.1633542E-03 Delta_ex -0.1066747E-02 Delta_ec 0.6142847E-03 Delta_et -0.3442358E-02 Pxc 0.4263444E+01 Qxc -0.1736567E+01 3,+1 101 3 -1 2.935805 -0.805476 -2.008377 Rho 0.6881960E-01 |GRAD(Rho)| 0.1605158E-13 GRAD(Rho)x -0.7303210E-14 GRAD(Rho)y -0.1424118E-13 GRAD(Rho)z 0.1226867E-14 Laplacian 0.2775116E+00 (-1/4)Del**2(Rho)) -0.6937789E-01 Diamond 0.2179650E+00 Metallicity 0.2869805E+01 Ellipticity 0.9219680E-02 Gb(Abramov) 0.7943543E-01 Vb(Abramov) -0.8949296E-01 Hb(Abramov) -0.1005754E-01 Ex_ueg -0.2082898E-01 Ec_ueg -0.3478918E-02 Delta_ex -0.2480070E-01 Delta_ec 0.8287138E-02 Delta_et -0.9479673E-01 Pxc 0.5987200E+01 Qxc -0.2992674E+01 3,-1 102 3 -1 2.935805 -0.805476 2.008377 Rho 0.6881960E-01 |GRAD(Rho)| 0.1635990E-13 GRAD(Rho)x -0.7409847E-14 GRAD(Rho)y -0.1453301E-13 GRAD(Rho)z -0.1237749E-14 Laplacian 0.2775116E+00 (-1/4)Del**2(Rho)) -0.6937789E-01 Diamond 0.2179650E+00 Metallicity 0.2869805E+01 Ellipticity 0.9219680E-02 Gb(Abramov) 0.7943543E-01 Vb(Abramov) -0.8949296E-01 Hb(Abramov) -0.1005754E-01 Ex_ueg -0.2082898E-01 Ec_ueg -0.3478918E-02 Delta_ex -0.2480070E-01 Delta_ec 0.8287138E-02 Delta_et -0.9479673E-01 Pxc 0.5987200E+01 Qxc -0.2992674E+01 3,-1 103 3 -1 3.028562 0.080764 -0.000000 Rho 0.5481119E-02 |GRAD(Rho)| 0.1136197E-16 GRAD(Rho)x -0.9484829E-18 GRAD(Rho)y 0.1131183E-16 GRAD(Rho)z 0.4870249E-18 Laplacian 0.2163633E-01 (-1/4)Del**2(Rho)) -0.5409083E-02 Diamond 0.6876382E-03 Metallicity 0.5426813E+00 Ellipticity 0.1651476E+01 Gb(Abramov) 0.4095290E-02 Vb(Abramov) -0.2781497E-02 Hb(Abramov) 0.1313793E-02 Ex_ueg -0.7137465E-03 Ec_ueg -0.1676757E-03 Delta_ex -0.1191004E-02 Delta_ec 0.8525252E-03 Delta_et -0.4690876E-02 Pxc 0.4256708E+01 Qxc -0.1397031E+01 3,-1 104 3 +1 2.180444 -0.179347 -1.743703 Rho 0.2323393E-01 |GRAD(Rho)| 0.4863212E-16 GRAD(Rho)x 0.2733859E-16 GRAD(Rho)y -0.3685545E-16 GRAD(Rho)z -0.1610466E-16 Laplacian 0.8844545E-01 (-1/4)Del**2(Rho)) -0.2211136E-01 Diamond 0.1028572E-01 Metallicity 0.1473925E+01 Ellipticity -0.3313010E+01 Gb(Abramov) 0.2017266E-01 Vb(Abramov) -0.1823395E-01 Hb(Abramov) 0.1938705E-02 Ex_ueg -0.4896457E-02 Ec_ueg -0.1000213E-02 Delta_ex -0.5373828E-02 Delta_ec 0.1463962E-02 Delta_et -0.1270226E-01 Pxc 0.4895415E+01 Qxc -0.3670742E+01 3,+1 105 3 +1 2.180444 -0.179347 1.743703 Rho 0.2323393E-01 |GRAD(Rho)| 0.8326692E-17 GRAD(Rho)x 0.7756933E-17 GRAD(Rho)y -0.6988928E-18 GRAD(Rho)z -0.2945391E-17 Laplacian 0.8844545E-01 (-1/4)Del**2(Rho)) -0.2211136E-01 Diamond 0.1028572E-01 Metallicity 0.1473925E+01 Ellipticity -0.3313010E+01 Gb(Abramov) 0.2017266E-01 Vb(Abramov) -0.1823395E-01 Hb(Abramov) 0.1938705E-02 Ex_ueg -0.4896457E-02 Ec_ueg -0.1000213E-02 Delta_ex -0.5373828E-02 Delta_ec 0.1463962E-02 Delta_et -0.1270226E-01 Pxc 0.4895415E+01 Qxc -0.3670742E+01 3,+1 106 3 -1 -3.137166 -2.212371 -2.240879 Rho 0.2096639E+00 |GRAD(Rho)| 0.5592346E-15 GRAD(Rho)x -0.5375474E-15 GRAD(Rho)y 0.9166252E-16 GRAD(Rho)z -0.1240327E-15 Laplacian 0.7912395E+00 (-1/4)Del**2(Rho)) -0.1978099E+00 Diamond 0.2373580E+01 Metallicity 0.6444334E+01 Ellipticity 0.2251472E-01 Gb(Abramov) 0.3443321E+00 Vb(Abramov) -0.4908543E+00 Hb(Abramov) -0.1465222E+00 Ex_ueg -0.9199199E-01 Ec_ueg -0.1236733E-01 Delta_ex -0.9227649E-01 Delta_ec 0.1811557E-01 Delta_et -0.2489846E+00 Pxc 0.7438306E+01 Qxc -0.5093767E+01 3,-1 107 3 -1 -2.926467 -2.199723 -0.776535 Rho 0.1303992E+00 |GRAD(Rho)| 0.5262128E-13 GRAD(Rho)x -0.4375982E-13 GRAD(Rho)y -0.2092556E-13 GRAD(Rho)z -0.2040094E-13 Laplacian 0.4843461E+00 (-1/4)Del**2(Rho)) -0.1210865E+00 Diamond 0.8408079E+00 Metallicity 0.4770703E+01 Ellipticity 0.5813540E-01 Gb(Abramov) 0.1770023E+00 Vb(Abramov) -0.2329181E+00 Hb(Abramov) -0.5591580E-01 Ex_ueg -0.4883731E-01 Ec_ueg -0.7200854E-02 Delta_ex -0.5040556E-01 Delta_ec 0.1295668E-01 Delta_et -0.1693290E+00 Pxc 0.6782156E+01 Qxc -0.3890313E+01 3,-1 108 3 -1 -2.926467 -2.199723 0.776535 Rho 0.1303992E+00 |GRAD(Rho)| 0.5264885E-13 GRAD(Rho)x -0.4384999E-13 GRAD(Rho)y -0.2093301E-13 GRAD(Rho)z 0.2027039E-13 Laplacian 0.4843461E+00 (-1/4)Del**2(Rho)) -0.1210865E+00 Diamond 0.8408079E+00 Metallicity 0.4770703E+01 Ellipticity 0.5813540E-01 Gb(Abramov) 0.1770023E+00 Vb(Abramov) -0.2329181E+00 Hb(Abramov) -0.5591580E-01 Ex_ueg -0.4883731E-01 Ec_ueg -0.7200854E-02 Delta_ex -0.5040556E-01 Delta_ec 0.1295668E-01 Delta_et -0.1693290E+00 Pxc 0.6782156E+01 Qxc -0.3890313E+01 3,-1 109 3 -1 -3.137166 -2.212371 2.240879 Rho 0.2096639E+00 |GRAD(Rho)| 0.2590515E-15 GRAD(Rho)x -0.5545694E-16 GRAD(Rho)y 0.1401941E-15 GRAD(Rho)z -0.2106605E-15 Laplacian 0.7912395E+00 (-1/4)Del**2(Rho)) -0.1978099E+00 Diamond 0.2373580E+01 Metallicity 0.6444334E+01 Ellipticity 0.2251472E-01 Gb(Abramov) 0.3443321E+00 Vb(Abramov) -0.4908543E+00 Hb(Abramov) -0.1465222E+00 Ex_ueg -0.9199199E-01 Ec_ueg -0.1236733E-01 Delta_ex -0.9227649E-01 Delta_ec 0.1811557E-01 Delta_et -0.2489846E+00 Pxc 0.7438306E+01 Qxc -0.5093767E+01 3,-1 110 3 +3 -2.790737 -0.434642 0.000000 Rho 0.4940580E-02 |GRAD(Rho)| 0.1485130E-15 GRAD(Rho)x 0.1278793E-16 GRAD(Rho)y -0.1479611E-15 GRAD(Rho)z 0.3386376E-18 Laplacian 0.2030329E-01 (-1/4)Del**2(Rho)) -0.5075823E-02 Diamond 0.2380253E-03 Metallicity 0.4864184E+00 Ellipticity -0.8832126E+00 Gb(Abramov) 0.3795377E-02 Vb(Abramov) -0.2514932E-02 Hb(Abramov) 0.1280445E-02 Ex_ueg -0.6214731E-03 Ec_ueg -0.1443566E-03 Delta_ex -0.7921152E-03 Delta_ec 0.2554348E-03 Delta_et -0.1537667E-02 Pxc 0.4305124E+01 Qxc -0.3101046E+01 3,+3 111 3 +1 -0.214427 2.257364 -1.918189 Rho 0.5841065E-02 |GRAD(Rho)| 0.7235817E-17 GRAD(Rho)x -0.4931112E-17 GRAD(Rho)y -0.4581861E-17 GRAD(Rho)z -0.2654757E-17 Laplacian 0.2450782E-01 (-1/4)Del**2(Rho)) -0.6126955E-02 Diamond 0.6069354E-03 Metallicity 0.5326745E+00 Ellipticity -0.1929140E+01 Gb(Abramov) 0.4628582E-02 Vb(Abramov) -0.3130209E-02 Hb(Abramov) 0.1498373E-02 Ex_ueg -0.7769167E-03 Ec_ueg -0.1832849E-03 Delta_ex -0.1182456E-02 Delta_ec 0.6403348E-03 Delta_et -0.3695549E-02 Pxc 0.4238847E+01 Qxc -0.1846621E+01 3,+1 112 3 +1 -1.315989 2.371375 -0.743403 Rho 0.2492281E-01 |GRAD(Rho)| 0.2287190E-13 GRAD(Rho)x -0.1761217E-13 GRAD(Rho)y -0.8682329E-15 GRAD(Rho)z -0.1456645E-13 Laplacian 0.9451695E-01 (-1/4)Del**2(Rho)) -0.2362924E-01 Diamond 0.1196681E-01 Metallicity 0.1550357E+01 Ellipticity -0.3529005E+01 Gb(Abramov) 0.2185845E-01 Vb(Abramov) -0.2008766E-01 Hb(Abramov) 0.1770787E-02 Ex_ueg -0.5376681E-02 Ec_ueg -0.1084828E-02 Delta_ex -0.5836244E-02 Delta_ec 0.1537205E-02 Delta_et -0.1357454E-01 Pxc 0.4956251E+01 Qxc -0.3796659E+01 3,+1 113 3 +1 -1.315989 2.371375 0.743403 Rho 0.2492281E-01 |GRAD(Rho)| 0.2323341E-14 GRAD(Rho)x -0.8843976E-15 GRAD(Rho)y 0.1965951E-14 GRAD(Rho)z 0.8664809E-15 Laplacian 0.9451695E-01 (-1/4)Del**2(Rho)) -0.2362924E-01 Diamond 0.1196681E-01 Metallicity 0.1550357E+01 Ellipticity -0.3529005E+01 Gb(Abramov) 0.2185845E-01 Vb(Abramov) -0.2008766E-01 Hb(Abramov) 0.1770787E-02 Ex_ueg -0.5376681E-02 Ec_ueg -0.1084828E-02 Delta_ex -0.5836244E-02 Delta_ec 0.1537205E-02 Delta_et -0.1357454E-01 Pxc 0.4956251E+01 Qxc -0.3796659E+01 3,+1 114 3 +1 -0.214427 2.257364 1.918189 Rho 0.5841065E-02 |GRAD(Rho)| 0.1112973E-16 GRAD(Rho)x 0.9856911E-17 GRAD(Rho)y 0.3034982E-17 GRAD(Rho)z -0.4183435E-17 Laplacian 0.2450782E-01 (-1/4)Del**2(Rho)) -0.6126955E-02 Diamond 0.6069354E-03 Metallicity 0.5326745E+00 Ellipticity -0.1929140E+01 Gb(Abramov) 0.4628582E-02 Vb(Abramov) -0.3130209E-02 Hb(Abramov) 0.1498373E-02 Ex_ueg -0.7769167E-03 Ec_ueg -0.1832849E-03 Delta_ex -0.1182456E-02 Delta_ec 0.6403348E-03 Delta_et -0.3695549E-02 Pxc 0.4238847E+01 Qxc -0.1846621E+01 3,+1 115 3 +1 -0.288370 -2.537343 -1.195814 Rho 0.3447890E-02 |GRAD(Rho)| 0.9769933E-15 GRAD(Rho)x -0.9412436E-15 GRAD(Rho)y 0.1468391E-15 GRAD(Rho)z -0.2168291E-15 Laplacian 0.1371389E-01 (-1/4)Del**2(Rho)) -0.3428472E-02 Diamond 0.1402998E-03 Metallicity 0.3954045E+00 Ellipticity -0.1275186E+01 Gb(Abramov) 0.2511587E-02 Vb(Abramov) -0.1594702E-02 Hb(Abramov) 0.9168852E-03 Ex_ueg -0.3847007E-03 Ec_ueg -0.8074314E-04 Delta_ex -0.5538711E-03 Delta_ec 0.2852894E-03 Delta_et -0.1445849E-02 Pxc 0.4764500E+01 Qxc -0.1941436E+01 3,+1 116 3 +1 -0.288370 -2.537343 1.195814 Rho 0.3447890E-02 |GRAD(Rho)| 0.9756770E-15 GRAD(Rho)x -0.9406694E-15 GRAD(Rho)y 0.1436281E-15 GRAD(Rho)z 0.2155404E-15 Laplacian 0.1371389E-01 (-1/4)Del**2(Rho)) -0.3428472E-02 Diamond 0.1402998E-03 Metallicity 0.3954045E+00 Ellipticity -0.1275186E+01 Gb(Abramov) 0.2511587E-02 Vb(Abramov) -0.1594702E-02 Hb(Abramov) 0.9168852E-03 Ex_ueg -0.3847007E-03 Ec_ueg -0.8074314E-04 Delta_ex -0.5538711E-03 Delta_ec 0.2852894E-03 Delta_et -0.1445849E-02 Pxc 0.4764500E+01 Qxc -0.1941436E+01 3,+1 117 3 +1 0.498071 1.498245 0.828634 Rho 0.8079344E-02 |GRAD(Rho)| 0.4833409E-16 GRAD(Rho)x -0.1881010E-16 GRAD(Rho)y 0.4026142E-16 GRAD(Rho)z -0.1901007E-16 Laplacian 0.3229388E-01 (-1/4)Del**2(Rho)) -0.8073471E-02 Diamond 0.8158631E-03 Metallicity 0.6941496E+00 Ellipticity -0.1425062E+01 Gb(Abramov) 0.6316347E-02 Vb(Abramov) -0.4559223E-02 Hb(Abramov) 0.1757124E-02 Ex_ueg -0.1197347E-02 Ec_ueg -0.2817451E-03 Delta_ex -0.1463069E-02 Delta_ec 0.4737686E-03 Delta_et -0.3170496E-02 Pxc 0.4249751E+01 Qxc -0.3088150E+01 3,+1 118 3 +1 0.498071 1.498245 -0.828634 Rho 0.8079344E-02 |GRAD(Rho)| 0.4461603E-16 GRAD(Rho)x -0.1221258E-16 GRAD(Rho)y 0.3994125E-16 GRAD(Rho)z 0.1568885E-16 Laplacian 0.3229388E-01 (-1/4)Del**2(Rho)) -0.8073471E-02 Diamond 0.8158631E-03 Metallicity 0.6941496E+00 Ellipticity -0.1425062E+01 Gb(Abramov) 0.6316347E-02 Vb(Abramov) -0.4559223E-02 Hb(Abramov) 0.1757124E-02 Ex_ueg -0.1197347E-02 Ec_ueg -0.2817451E-03 Delta_ex -0.1463069E-02 Delta_ec 0.4737686E-03 Delta_et -0.3170496E-02 Pxc 0.4249751E+01 Qxc -0.3088150E+01 3,+1 119 3 +3 1.942296 0.015373 -2.723762 Rho 0.1154695E-01 |GRAD(Rho)| 0.9410494E-13 GRAD(Rho)x -0.8477881E-13 GRAD(Rho)y 0.8982278E-15 GRAD(Rho)z -0.4083487E-13 Laplacian 0.5138451E-01 (-1/4)Del**2(Rho)) -0.1284613E-01 Diamond 0.1203812E-02 Metallicity 0.7910913E+00 Ellipticity -0.8335625E+00 Gb(Abramov) 0.1025783E-01 Vb(Abramov) -0.7669530E-02 Hb(Abramov) 0.2588300E-02 Ex_ueg -0.1927562E-02 Ec_ueg -0.4386954E-03 Delta_ex -0.2272356E-02 Delta_ec 0.2599909E-03 Delta_et -0.2250222E-02 Pxc 0.4393850E+01 Qxc -0.8740137E+01 3,+3 120 3 -1 0.331845 -0.067062 0.551572 Rho 0.1354957E+00 |GRAD(Rho)| 0.2880314E-11 GRAD(Rho)x -0.1720367E-11 GRAD(Rho)y 0.4365116E-12 GRAD(Rho)z -0.2268481E-11 Laplacian 0.6938193E+00 (-1/4)Del**2(Rho)) -0.1734548E+00 Diamond 0.1492013E+01 Metallicity 0.3550116E+01 Ellipticity 0.6730864E-02 Gb(Abramov) 0.2182673E+00 Vb(Abramov) -0.2630798E+00 Hb(Abramov) -0.4481251E-01 Ex_ueg -0.5139872E-01 Ec_ueg -0.7521597E-02 Delta_ex -0.7550786E-01 Delta_ec 0.2309216E-01 Delta_et -0.3128323E+00 Pxc 0.6833485E+01 Qxc -0.3269849E+01 3,-1 121 3 -1 0.520232 -0.019816 2.389227 Rho 0.5360956E-01 |GRAD(Rho)| 0.6777972E-15 GRAD(Rho)x 0.1649755E-15 GRAD(Rho)y 0.6239290E-15 GRAD(Rho)z 0.2071343E-15 Laplacian 0.2079438E+00 (-1/4)Del**2(Rho)) -0.5198596E-01 Diamond 0.1156152E+00 Metallicity 0.2525830E+01 Ellipticity 0.8563918E-02 Gb(Abramov) 0.5654192E-01 Vb(Abramov) -0.6109789E-01 Hb(Abramov) -0.4555963E-02 Ex_ueg -0.1492937E-01 Ec_ueg -0.2615347E-02 Delta_ex -0.1740942E-01 Delta_ec 0.6173375E-02 Delta_et -0.6627917E-01 Pxc 0.5708368E+01 Qxc -0.2820081E+01 3,-1 122 3 -1 0.871671 -0.671890 3.511682 Rho 0.1363209E+00 |GRAD(Rho)| 0.2837331E-13 GRAD(Rho)x 0.1601020E-13 GRAD(Rho)y -0.1051607E-13 GRAD(Rho)z -0.2093156E-13 Laplacian 0.5319442E+00 (-1/4)Del**2(Rho)) -0.1329860E+00 Diamond 0.9555265E+00 Metallicity 0.4677542E+01 Ellipticity 0.7189924E-01 Gb(Abramov) 0.1923320E+00 Vb(Abramov) -0.2516779E+00 Hb(Abramov) -0.5934595E-01 Ex_ueg -0.5181651E-01 Ec_ueg -0.7573689E-02 Delta_ex -0.5574500E-01 Delta_ec 0.1370591E-01 Delta_et -0.1796820E+00 Pxc 0.6841648E+01 Qxc -0.4067224E+01 3,-1 123 3 -1 0.535585 3.208027 -0.672499 Rho 0.1197118E+00 |GRAD(Rho)| 0.2280774E-15 GRAD(Rho)x 0.2129305E-15 GRAD(Rho)y -0.8112543E-16 GRAD(Rho)z -0.9927226E-17 Laplacian 0.4937374E+00 (-1/4)Del**2(Rho)) -0.1234343E+00 Diamond 0.7603858E+00 Metallicity 0.4058310E+01 Ellipticity 0.1503905E-01 Gb(Abramov) 0.1657787E+00 Vb(Abramov) -0.2081230E+00 Hb(Abramov) -0.4234435E-01 Ex_ueg -0.4357467E-01 Ec_ueg -0.6533875E-02 Delta_ex -0.5016940E-01 Delta_ec 0.1316279E-01 Delta_et -0.1690082E+00 Pxc 0.6669040E+01 Qxc -0.3811455E+01 3,-1 124 3 -1 0.535585 3.208027 0.672499 Rho 0.1197118E+00 |GRAD(Rho)| 0.8095615E-16 GRAD(Rho)x 0.5733397E-16 GRAD(Rho)y -0.3027635E-16 GRAD(Rho)z -0.4847739E-16 Laplacian 0.4937374E+00 (-1/4)Del**2(Rho)) -0.1234343E+00 Diamond 0.7603858E+00 Metallicity 0.4058310E+01 Ellipticity 0.1503905E-01 Gb(Abramov) 0.1657787E+00 Vb(Abramov) -0.2081230E+00 Hb(Abramov) -0.4234435E-01 Ex_ueg -0.4357467E-01 Ec_ueg -0.6533875E-02 Delta_ex -0.5016940E-01 Delta_ec 0.1316279E-01 Delta_et -0.1690082E+00 Pxc 0.6669040E+01 Qxc -0.3811455E+01 3,-1 125 3 -1 -1.751790 1.557393 0.831670 Rho 0.4927986E-01 |GRAD(Rho)| 0.4950258E-14 GRAD(Rho)x -0.3384573E-14 GRAD(Rho)y 0.9698360E-15 GRAD(Rho)z 0.3479819E-14 Laplacian 0.1880766E+00 (-1/4)Del**2(Rho)) -0.4701914E-01 Diamond 0.9337844E-01 Metallicity 0.2426950E+01 Ellipticity 0.1178486E-01 Gb(Abramov) 0.5036495E-01 Vb(Abramov) -0.5371076E-01 Hb(Abramov) -0.3345807E-02 Ex_ueg -0.1334374E-01 Ec_ueg -0.2375106E-02 Delta_ex -0.1542020E-01 Delta_ec 0.5596636E-02 Delta_et -0.5878988E-01 Pxc 0.5618167E+01 Qxc -0.2755263E+01 3,-1 126 3 -1 -1.751790 1.557393 -0.831670 Rho 0.4927986E-01 |GRAD(Rho)| 0.4686076E-14 GRAD(Rho)x -0.3177969E-14 GRAD(Rho)y 0.9030679E-15 GRAD(Rho)z -0.3323295E-14 Laplacian 0.1880766E+00 (-1/4)Del**2(Rho)) -0.4701914E-01 Diamond 0.9337844E-01 Metallicity 0.2426950E+01 Ellipticity 0.1178486E-01 Gb(Abramov) 0.5036495E-01 Vb(Abramov) -0.5371076E-01 Hb(Abramov) -0.3345807E-02 Ex_ueg -0.1334374E-01 Ec_ueg -0.2375106E-02 Delta_ex -0.1542020E-01 Delta_ec 0.5596636E-02 Delta_et -0.5878988E-01 Pxc 0.5618167E+01 Qxc -0.2755263E+01 3,-1 127 3 -1 1.943680 -1.540538 -2.715256 Rho 0.1206102E+00 |GRAD(Rho)| 0.1685588E-13 GRAD(Rho)x -0.1544090E-13 GRAD(Rho)y 0.6096957E-14 GRAD(Rho)z -0.2920014E-14 Laplacian 0.4570504E+00 (-1/4)Del**2(Rho)) -0.1142626E+00 Diamond 0.7213210E+00 Metallicity 0.4439042E+01 Ellipticity 0.3639828E-01 Gb(Abramov) 0.1607111E+00 Vb(Abramov) -0.2071597E+00 Hb(Abramov) -0.4644854E-01 Ex_ueg -0.4401126E-01 Ec_ueg -0.6589645E-02 Delta_ex -0.4667216E-01 Delta_ec 0.1242694E-01 Delta_et -0.1602059E+00 Pxc 0.6678852E+01 Qxc -0.3755723E+01 3,-1 128 3 -1 1.643036 -0.934384 -1.555084 Rho 0.5107396E-01 |GRAD(Rho)| 0.2713475E-13 GRAD(Rho)x 0.2140379E-14 GRAD(Rho)y 0.2704893E-13 GRAD(Rho)z -0.2631547E-15 Laplacian 0.1917861E+00 (-1/4)Del**2(Rho)) -0.4794652E-01 Diamond 0.1005114E+00 Metallicity 0.2526167E+01 Ellipticity 0.1568256E-01 Gb(Abramov) 0.5215117E-01 Vb(Abramov) -0.5635581E-01 Hb(Abramov) -0.4204644E-02 Ex_ueg -0.1399537E-01 Ec_ueg -0.2474324E-02 Delta_ex -0.1588959E-01 Delta_ec 0.5746468E-02 Delta_et -0.6094193E-01 Pxc 0.5656241E+01 Qxc -0.2765105E+01 3,-1 129 3 -1 1.643036 -0.934384 1.555084 Rho 0.5107396E-01 |GRAD(Rho)| 0.2708747E-13 GRAD(Rho)x 0.2193462E-14 GRAD(Rho)y 0.2699714E-13 GRAD(Rho)z 0.2725555E-15 Laplacian 0.1917861E+00 (-1/4)Del**2(Rho)) -0.4794652E-01 Diamond 0.1005114E+00 Metallicity 0.2526167E+01 Ellipticity 0.1568256E-01 Gb(Abramov) 0.5215117E-01 Vb(Abramov) -0.5635581E-01 Hb(Abramov) -0.4204644E-02 Ex_ueg -0.1399537E-01 Ec_ueg -0.2474324E-02 Delta_ex -0.1588959E-01 Delta_ec 0.5746468E-02 Delta_et -0.6094193E-01 Pxc 0.5656241E+01 Qxc -0.2765105E+01 3,-1 130 3 -1 1.943680 -1.540538 2.715256 Rho 0.1206102E+00 |GRAD(Rho)| 0.1613862E-14 GRAD(Rho)x 0.6804995E-15 GRAD(Rho)y -0.5713678E-15 GRAD(Rho)z -0.1347223E-14 Laplacian 0.4570504E+00 (-1/4)Del**2(Rho)) -0.1142626E+00 Diamond 0.7213210E+00 Metallicity 0.4439042E+01 Ellipticity 0.3639828E-01 Gb(Abramov) 0.1607111E+00 Vb(Abramov) -0.2071597E+00 Hb(Abramov) -0.4644854E-01 Ex_ueg -0.4401126E-01 Ec_ueg -0.6589645E-02 Delta_ex -0.4667216E-01 Delta_ec 0.1242694E-01 Delta_et -0.1602059E+00 Pxc 0.6678852E+01 Qxc -0.3755723E+01 3,-1 131 3 -1 3.025489 0.863387 2.029375 Rho 0.1739331E+00 |GRAD(Rho)| 0.9349831E-13 GRAD(Rho)x 0.1721668E-13 GRAD(Rho)y -0.7722523E-13 GRAD(Rho)z -0.4981751E-13 Laplacian 0.6717048E+00 (-1/4)Del**2(Rho)) -0.1679262E+00 Diamond 0.1608057E+01 Metallicity 0.5559962E+01 Ellipticity 0.6067395E-01 Gb(Abramov) 0.2675613E+00 Vb(Abramov) -0.3671965E+00 Hb(Abramov) -0.9963514E-01 Ex_ueg -0.7170697E-01 Ec_ueg -0.9992796E-02 Delta_ex -0.7468735E-01 Delta_ec 0.1615059E-01 Delta_et -0.2182898E+00 Pxc 0.7175867E+01 Qxc -0.4624436E+01 3,-1 132 3 -1 3.025489 0.863387 -2.029375 Rho 0.1739331E+00 |GRAD(Rho)| 0.1843805E-12 GRAD(Rho)x -0.5939087E-13 GRAD(Rho)y 0.1731490E-12 GRAD(Rho)z 0.2209762E-13 Laplacian 0.6717048E+00 (-1/4)Del**2(Rho)) -0.1679262E+00 Diamond 0.1608057E+01 Metallicity 0.5559962E+01 Ellipticity 0.6067395E-01 Gb(Abramov) 0.2675613E+00 Vb(Abramov) -0.3671965E+00 Hb(Abramov) -0.9963514E-01 Ex_ueg -0.7170697E-01 Ec_ueg -0.9992796E-02 Delta_ex -0.7468735E-01 Delta_ec 0.1615059E-01 Delta_et -0.2182898E+00 Pxc 0.7175867E+01 Qxc -0.4624436E+01 3,-1 133 3 -1 2.866853 1.715936 -0.876480 Rho 0.1313291E+00 |GRAD(Rho)| 0.1682063E-13 GRAD(Rho)x -0.6599905E-14 GRAD(Rho)y -0.2785485E-14 GRAD(Rho)z -0.1521893E-13 Laplacian 0.5414571E+00 (-1/4)Del**2(Rho)) -0.1353643E+00 Diamond 0.9285464E+00 Metallicity 0.4318347E+01 Ellipticity 0.2371110E-01 Gb(Abramov) 0.1876678E+00 Vb(Abramov) -0.2399714E+00 Hb(Abramov) -0.5230355E-01 Ex_ueg -0.4930222E-01 Ec_ueg -0.7259249E-02 Delta_ex -0.5621388E-01 Delta_ec 0.1404676E-01 Delta_et -0.1830230E+00 Pxc 0.6791641E+01 Qxc -0.4001910E+01 3,-1 134 3 -1 -2.837034 0.906455 -1.633008 Rho 0.1973801E+00 |GRAD(Rho)| 0.1711020E-10 GRAD(Rho)x -0.4666561E-11 GRAD(Rho)y -0.1642420E-10 GRAD(Rho)z 0.1108123E-11 Laplacian 0.7826755E+00 (-1/4)Del**2(Rho)) -0.1956689E+00 Diamond 0.2162345E+01 Metallicity 0.5891199E+01 Ellipticity 0.2991432E-01 Gb(Abramov) 0.3225666E+00 Vb(Abramov) -0.4494644E+00 Hb(Abramov) -0.1268977E+00 Ex_ueg -0.8487690E-01 Ec_ueg -0.1154288E-01 Delta_ex -0.8973003E-01 Delta_ec 0.1796010E-01 Delta_et -0.2448513E+00 Pxc 0.7353181E+01 Qxc -0.4996078E+01 3,-1 135 3 -1 -1.812536 1.571859 -2.328831 Rho 0.1320490E+00 |GRAD(Rho)| 0.3941633E-12 GRAD(Rho)x -0.3171147E-12 GRAD(Rho)y 0.1100860E-12 GRAD(Rho)z 0.2066012E-12 Laplacian 0.5426645E+00 (-1/4)Del**2(Rho)) -0.1356661E+00 Diamond 0.9444478E+00 Metallicity 0.4348174E+01 Ellipticity 0.1056640E-01 Gb(Abramov) 0.1887607E+00 Vb(Abramov) -0.2418553E+00 Hb(Abramov) -0.5309461E-01 Ex_ueg -0.4966287E-01 Ec_ueg -0.7304495E-02 Delta_ex -0.5650471E-01 Delta_ec 0.1422185E-01 Delta_et -0.1857775E+00 Pxc 0.6798947E+01 Qxc -0.3973093E+01 3,-1 136 3 -1 -1.812536 1.571859 2.328831 Rho 0.1320490E+00 |GRAD(Rho)| 0.3946083E-12 GRAD(Rho)x -0.3174346E-12 GRAD(Rho)y 0.1102588E-12 GRAD(Rho)z -0.2068671E-12 Laplacian 0.5426645E+00 (-1/4)Del**2(Rho)) -0.1356661E+00 Diamond 0.9444478E+00 Metallicity 0.4348174E+01 Ellipticity 0.1056640E-01 Gb(Abramov) 0.1887607E+00 Vb(Abramov) -0.2418553E+00 Hb(Abramov) -0.5309461E-01 Ex_ueg -0.4966287E-01 Ec_ueg -0.7304495E-02 Delta_ex -0.5650471E-01 Delta_ec 0.1422185E-01 Delta_et -0.1857775E+00 Pxc 0.6798947E+01 Qxc -0.3973093E+01 3,-1 137 3 -1 -2.837034 0.906455 1.633008 Rho 0.1973801E+00 |GRAD(Rho)| 0.1714054E-10 GRAD(Rho)x -0.4643908E-11 GRAD(Rho)y -0.1646032E-10 GRAD(Rho)z -0.1135805E-11 Laplacian 0.7826755E+00 (-1/4)Del**2(Rho)) -0.1956689E+00 Diamond 0.2162345E+01 Metallicity 0.5891199E+01 Ellipticity 0.2991432E-01 Gb(Abramov) 0.3225666E+00 Vb(Abramov) -0.4494644E+00 Hb(Abramov) -0.1268977E+00 Ex_ueg -0.8487690E-01 Ec_ueg -0.1154288E-01 Delta_ex -0.8973003E-01 Delta_ec 0.1796010E-01 Delta_et -0.2448513E+00 Pxc 0.7353181E+01 Qxc -0.4996078E+01 3,-1 138 3 -1 -1.976059 2.724642 1.510414 Rho 0.9112490E-01 |GRAD(Rho)| 0.1469954E-12 GRAD(Rho)x 0.2435681E-13 GRAD(Rho)y 0.9264711E-13 GRAD(Rho)z -0.1114939E-12 Laplacian 0.3594900E+00 (-1/4)Del**2(Rho)) -0.8987250E-01 Diamond 0.3959162E+00 Metallicity 0.3537160E+01 Ellipticity 0.1810036E-01 Gb(Abramov) 0.1128972E+00 Vb(Abramov) -0.1359220E+00 Hb(Abramov) -0.2302474E-01 Ex_ueg -0.3028548E-01 Ec_ueg -0.4790643E-02 Delta_ex -0.3421567E-01 Delta_ec 0.1010009E-01 Delta_et -0.1229718E+00 Pxc 0.6321799E+01 Qxc -0.3387659E+01 3,-1 139 3 -1 -1.976059 2.724642 -1.510414 Rho 0.9112490E-01 |GRAD(Rho)| 0.6734577E-13 GRAD(Rho)x -0.3645273E-13 GRAD(Rho)y -0.5563514E-13 GRAD(Rho)z -0.1055378E-13 Laplacian 0.3594900E+00 (-1/4)Del**2(Rho)) -0.8987250E-01 Diamond 0.3959162E+00 Metallicity 0.3537160E+01 Ellipticity 0.1810036E-01 Gb(Abramov) 0.1128972E+00 Vb(Abramov) -0.1359220E+00 Hb(Abramov) -0.2302474E-01 Ex_ueg -0.3028548E-01 Ec_ueg -0.4790643E-02 Delta_ex -0.3421567E-01 Delta_ec 0.1010009E-01 Delta_et -0.1229718E+00 Pxc 0.6321799E+01 Qxc -0.3387659E+01 3,-1 140 3 -1 0.026337 2.075337 -2.083333 Rho 0.5991051E-02 |GRAD(Rho)| 0.1062381E-16 GRAD(Rho)x -0.9172403E-17 GRAD(Rho)y -0.3449610E-17 GRAD(Rho)z -0.4102739E-17 Laplacian 0.2413026E-01 (-1/4)Del**2(Rho)) -0.6032564E-02 Diamond 0.8463020E-03 Metallicity 0.5643601E+00 Ellipticity 0.1691904E+01 Gb(Abramov) 0.4589132E-02 Vb(Abramov) -0.3145701E-02 Hb(Abramov) 0.1443432E-02 Ex_ueg -0.8036293E-03 Ec_ueg -0.1898080E-03 Delta_ex -0.1336771E-02 Delta_ec 0.9274080E-03 Delta_et -0.5251037E-02 Pxc 0.4233907E+01 Qxc -0.1441406E+01 3,-1 141 3 -1 0.026337 2.075337 2.083333 Rho 0.5991051E-02 |GRAD(Rho)| 0.3874366E-17 GRAD(Rho)x -0.3750258E-17 GRAD(Rho)y -0.7285504E-18 GRAD(Rho)z 0.6445886E-18 Laplacian 0.2413026E-01 (-1/4)Del**2(Rho)) -0.6032564E-02 Diamond 0.8463020E-03 Metallicity 0.5643601E+00 Ellipticity 0.1691904E+01 Gb(Abramov) 0.4589132E-02 Vb(Abramov) -0.3145701E-02 Hb(Abramov) 0.1443432E-02 Ex_ueg -0.8036293E-03 Ec_ueg -0.1898080E-03 Delta_ex -0.1336771E-02 Delta_ec 0.9274080E-03 Delta_et -0.5251037E-02 Pxc 0.4233907E+01 Qxc -0.1441406E+01 3,-1 142 3 -1 -0.841783 3.566783 -0.721291 Rho 0.1582504E+00 |GRAD(Rho)| 0.1485819E-11 GRAD(Rho)x -0.1022381E-11 GRAD(Rho)y -0.5623160E-13 GRAD(Rho)z -0.1076677E-11 Laplacian 0.6082367E+00 (-1/4)Del**2(Rho)) -0.1520592E+00 Diamond 0.1308408E+01 Metallicity 0.5245439E+01 Ellipticity 0.6103348E-01 Gb(Abramov) 0.2343090E+00 Vb(Abramov) -0.3165587E+00 Hb(Abramov) -0.8224979E-01 Ex_ueg -0.6321858E-01 Ec_ueg -0.8973732E-02 Delta_ex -0.6613124E-01 Delta_ec 0.1512663E-01 Delta_et -0.2025703E+00 Pxc 0.7044848E+01 Qxc -0.4371842E+01 3,-1 143 3 -1 -0.841783 3.566783 0.721291 Rho 0.1582504E+00 |GRAD(Rho)| 0.2004655E-11 GRAD(Rho)x -0.1380019E-11 GRAD(Rho)y -0.7837521E-13 GRAD(Rho)z 0.1451912E-11 Laplacian 0.6082367E+00 (-1/4)Del**2(Rho)) -0.1520592E+00 Diamond 0.1308408E+01 Metallicity 0.5245439E+01 Ellipticity 0.6103348E-01 Gb(Abramov) 0.2343090E+00 Vb(Abramov) -0.3165587E+00 Hb(Abramov) -0.8224979E-01 Ex_ueg -0.6321858E-01 Ec_ueg -0.8973732E-02 Delta_ex -0.6613124E-01 Delta_ec 0.1512663E-01 Delta_et -0.2025703E+00 Pxc 0.7044848E+01 Qxc -0.4371842E+01 3,-1 144 3 +1 1.271207 -0.757736 2.362242 Rho 0.2798603E-01 |GRAD(Rho)| 0.4516603E-16 GRAD(Rho)x -0.2378317E-16 GRAD(Rho)y -0.8304134E-17 GRAD(Rho)z 0.3748830E-16 Laplacian 0.1091996E+00 (-1/4)Del**2(Rho)) -0.2729991E-01 Diamond 0.1664735E-01 Metallicity 0.1627899E+01 Ellipticity -0.4523690E+01 Gb(Abramov) 0.2560686E-01 Vb(Abramov) -0.2391381E-01 Hb(Abramov) 0.1693053E-02 Ex_ueg -0.6275382E-02 Ec_ueg -0.1240200E-02 Delta_ex -0.6996831E-02 Delta_ec 0.1847057E-02 Delta_et -0.1675707E-01 Pxc 0.5059975E+01 Qxc -0.3788097E+01 3,+1 145 3 -1 1.733257 0.811085 -1.579530 Rho 0.3490116E-01 |GRAD(Rho)| 0.1021099E-15 GRAD(Rho)x -0.7060909E-16 GRAD(Rho)y -0.7000081E-16 GRAD(Rho)z 0.2325235E-16 Laplacian 0.1326211E+00 (-1/4)Del**2(Rho)) -0.3315528E-01 Diamond 0.4073340E-01 Metallicity 0.1936720E+01 Ellipticity 0.6354906E-01 Gb(Abramov) 0.3280561E-01 Vb(Abramov) -0.3245593E-01 Hb(Abramov) 0.3496780E-03 Ex_ueg -0.8423738E-02 Ec_ueg -0.1599076E-02 Delta_ex -0.9948525E-02 Delta_ec 0.3898557E-02 Delta_et -0.3733311E-01 Pxc 0.5267877E+01 Qxc -0.2551848E+01 3,-1 146 3 -1 1.733257 0.811085 1.579530 Rho 0.3490116E-01 |GRAD(Rho)| 0.5208207E-16 GRAD(Rho)x -0.3659129E-16 GRAD(Rho)y -0.3425962E-16 GRAD(Rho)z -0.1413852E-16 Laplacian 0.1326211E+00 (-1/4)Del**2(Rho)) -0.3315528E-01 Diamond 0.4073340E-01 Metallicity 0.1936720E+01 Ellipticity 0.6354906E-01 Gb(Abramov) 0.3280561E-01 Vb(Abramov) -0.3245593E-01 Hb(Abramov) 0.3496780E-03 Ex_ueg -0.8423738E-02 Ec_ueg -0.1599076E-02 Delta_ex -0.9948525E-02 Delta_ec 0.3898557E-02 Delta_et -0.3733311E-01 Pxc 0.5267877E+01 Qxc -0.2551848E+01 3,-1 147 3 +1 1.271207 -0.757736 -2.362242 Rho 0.2798603E-01 |GRAD(Rho)| 0.8441246E-16 GRAD(Rho)x -0.1936872E-16 GRAD(Rho)y 0.2363558E-16 GRAD(Rho)z 0.7868720E-16 Laplacian 0.1091996E+00 (-1/4)Del**2(Rho)) -0.2729991E-01 Diamond 0.1664735E-01 Metallicity 0.1627899E+01 Ellipticity -0.4523690E+01 Gb(Abramov) 0.2560686E-01 Vb(Abramov) -0.2391381E-01 Hb(Abramov) 0.1693053E-02 Ex_ueg -0.6275382E-02 Ec_ueg -0.1240200E-02 Delta_ex -0.6996831E-02 Delta_ec 0.1847057E-02 Delta_et -0.1675707E-01 Pxc 0.5059975E+01 Qxc -0.3788097E+01 3,+1 148 3 -1 -0.527864 -0.653385 3.160711 Rho 0.1272910E+00 |GRAD(Rho)| 0.7105534E-15 GRAD(Rho)x 0.3280186E-15 GRAD(Rho)y 0.4215581E-15 GRAD(Rho)z 0.4685922E-15 Laplacian 0.5361106E+00 (-1/4)Del**2(Rho)) -0.1340277E+00 Diamond 0.8826297E+00 Metallicity 0.4140201E+01 Ellipticity 0.1935484E-01 Gb(Abramov) 0.1818353E+00 Vb(Abramov) -0.2296430E+00 Hb(Abramov) -0.4780769E-01 Ex_ueg -0.4729137E-01 Ec_ueg -0.7006079E-02 Delta_ex -0.5520493E-01 Delta_ec 0.1394866E-01 Delta_et -0.1807168E+00 Pxc 0.6750048E+01 Qxc -0.3957724E+01 3,-1 149 3 -1 -0.063681 0.023557 -4.443329 Rho 0.2177383E+00 |GRAD(Rho)| 0.1003679E-14 GRAD(Rho)x -0.2535949E-15 GRAD(Rho)y -0.1739806E-16 GRAD(Rho)z -0.9709573E-15 Laplacian 0.8231828E+00 (-1/4)Del**2(Rho)) -0.2057957E+00 Diamond 0.2578825E+01 Metallicity 0.6596925E+01 Ellipticity 0.4273085E-03 Gb(Abramov) 0.3634669E+00 Vb(Abramov) -0.5211382E+00 Hb(Abramov) -0.1576712E+00 Ex_ueg -0.9674565E-01 Ec_ueg -0.1291382E-01 Delta_ex -0.9690896E-01 Delta_ec 0.1858889E-01 Delta_et -0.2558658E+00 Pxc 0.7491639E+01 Qxc -0.5213273E+01 3,-1 150 3 -1 0.331845 -0.067062 -0.551572 Rho 0.1354957E+00 |GRAD(Rho)| 0.2160924E-13 GRAD(Rho)x -0.1389757E-13 GRAD(Rho)y -0.6017943E-16 GRAD(Rho)z 0.1654730E-13 Laplacian 0.6938193E+00 (-1/4)Del**2(Rho)) -0.1734548E+00 Diamond 0.1492013E+01 Metallicity 0.3550116E+01 Ellipticity 0.6730864E-02 Gb(Abramov) 0.2182673E+00 Vb(Abramov) -0.2630798E+00 Hb(Abramov) -0.4481251E-01 Ex_ueg -0.5139872E-01 Ec_ueg -0.7521597E-02 Delta_ex -0.7550786E-01 Delta_ec 0.2309216E-01 Delta_et -0.3128323E+00 Pxc 0.6833485E+01 Qxc -0.3269849E+01 3,-1 151 3 -1 -0.063681 0.023557 4.443329 Rho 0.2177383E+00 |GRAD(Rho)| 0.1228806E-14 GRAD(Rho)x -0.2433221E-15 GRAD(Rho)y -0.1853308E-16 GRAD(Rho)z 0.1204332E-14 Laplacian 0.8231828E+00 (-1/4)Del**2(Rho)) -0.2057957E+00 Diamond 0.2578825E+01 Metallicity 0.6596925E+01 Ellipticity 0.4273085E-03 Gb(Abramov) 0.3634669E+00 Vb(Abramov) -0.5211382E+00 Hb(Abramov) -0.1576712E+00 Ex_ueg -0.9674565E-01 Ec_ueg -0.1291382E-01 Delta_ex -0.9690896E-01 Delta_ec 0.1858889E-01 Delta_et -0.2558658E+00 Pxc 0.7491639E+01 Qxc -0.5213273E+01 3,-1 152 3 +1 2.026223 0.020455 -2.854583 Rho 0.1158952E-01 |GRAD(Rho)| 0.4286051E-12 GRAD(Rho)x -0.7996939E-13 GRAD(Rho)y 0.3691120E-12 GRAD(Rho)z -0.2026414E-12 Laplacian 0.5240077E-01 (-1/4)Del**2(Rho)) -0.1310019E-01 Diamond 0.1563472E-02 Metallicity 0.7805209E+00 Ellipticity -0.1115129E+01 Gb(Abramov) 0.1043762E-01 Vb(Abramov) -0.7775055E-02 Hb(Abramov) 0.2662568E-02 Ex_ueg -0.1937042E-02 Ec_ueg -0.4406531E-03 Delta_ex -0.2419519E-02 Delta_ec 0.4432327E-03 Delta_et -0.3480668E-02 Pxc 0.4395843E+01 Qxc -0.5458800E+01 3,+1 153 3 +1 2.026223 0.020455 2.854583 Rho 0.1158952E-01 |GRAD(Rho)| 0.4285920E-12 GRAD(Rho)x -0.7997622E-13 GRAD(Rho)y 0.3690994E-12 GRAD(Rho)z 0.2026341E-12 Laplacian 0.5240077E-01 (-1/4)Del**2(Rho)) -0.1310019E-01 Diamond 0.1563472E-02 Metallicity 0.7805209E+00 Ellipticity -0.1115129E+01 Gb(Abramov) 0.1043762E-01 Vb(Abramov) -0.7775055E-02 Hb(Abramov) 0.2662568E-02 Ex_ueg -0.1937042E-02 Ec_ueg -0.4406531E-03 Delta_ex -0.2419519E-02 Delta_ec 0.4432327E-03 Delta_et -0.3480668E-02 Pxc 0.4395843E+01 Qxc -0.5458800E+01 3,+1 154 3 +3 1.942296 0.015373 2.723762 Rho 0.1154695E-01 |GRAD(Rho)| 0.3940749E-13 GRAD(Rho)x -0.1409820E-13 GRAD(Rho)y -0.3299883E-13 GRAD(Rho)z 0.1628706E-13 Laplacian 0.5138451E-01 (-1/4)Del**2(Rho)) -0.1284613E-01 Diamond 0.1203812E-02 Metallicity 0.7910913E+00 Ellipticity -0.8335625E+00 Gb(Abramov) 0.1025783E-01 Vb(Abramov) -0.7669530E-02 Hb(Abramov) 0.2588300E-02 Ex_ueg -0.1927562E-02 Ec_ueg -0.4386954E-03 Delta_ex -0.2272356E-02 Delta_ec 0.2599909E-03 Delta_et -0.2250222E-02 Pxc 0.4393850E+01 Qxc -0.8740137E+01 3,+3 155 3 +1 1.679021 -2.741496 -0.000000 Rho 0.7691228E-02 |GRAD(Rho)| 0.9545663E-14 GRAD(Rho)x 0.6850885E-14 GRAD(Rho)y 0.6645617E-14 GRAD(Rho)z -0.1443113E-15 Laplacian 0.3483888E-01 (-1/4)Del**2(Rho)) -0.8709721E-02 Diamond 0.1140698E-02 Metallicity 0.5927548E+00 Ellipticity -0.1691556E+01 Gb(Abramov) 0.6666936E-02 Vb(Abramov) -0.4624150E-02 Hb(Abramov) 0.2042786E-02 Ex_ueg -0.1121276E-02 Ec_ueg -0.2645044E-03 Delta_ex -0.1725180E-02 Delta_ec 0.8075905E-03 Delta_et -0.5096983E-02 Pxc 0.4239159E+01 Qxc -0.2136206E+01 3,+1 156 3 -1 2.005468 1.542897 -2.718424 Rho 0.1137996E+00 |GRAD(Rho)| 0.4052512E-13 GRAD(Rho)x -0.1664703E-13 GRAD(Rho)y -0.2529053E-13 GRAD(Rho)z 0.2693605E-13 Laplacian 0.4409250E+00 (-1/4)Del**2(Rho)) -0.1102313E+00 Diamond 0.6399228E+00 Metallicity 0.4176537E+01 Ellipticity 0.3583922E-01 Gb(Abramov) 0.1502183E+00 Vb(Abramov) -0.1902054E+00 Hb(Abramov) -0.3998708E-01 Ex_ueg -0.4072922E-01 Ec_ueg -0.6168311E-02 Delta_ex -0.4428104E-01 Delta_ec 0.1191971E-01 Delta_et -0.1517186E+00 Pxc 0.6602978E+01 Qxc -0.3714944E+01 3,-1 157 3 -1 2.005468 1.542897 2.718424 Rho 0.1137996E+00 |GRAD(Rho)| 0.4938255E-13 GRAD(Rho)x 0.3210609E-13 GRAD(Rho)y 0.1287800E-13 GRAD(Rho)z -0.3524191E-13 Laplacian 0.4409250E+00 (-1/4)Del**2(Rho)) -0.1102313E+00 Diamond 0.6399228E+00 Metallicity 0.4176537E+01 Ellipticity 0.3583922E-01 Gb(Abramov) 0.1502183E+00 Vb(Abramov) -0.1902054E+00 Hb(Abramov) -0.3998708E-01 Ex_ueg -0.4072922E-01 Ec_ueg -0.6168311E-02 Delta_ex -0.4428104E-01 Delta_ec 0.1191971E-01 Delta_et -0.1517186E+00 Pxc 0.6602978E+01 Qxc -0.3714944E+01 3,-1 158 3 +3 2.306305 0.109451 0.000000 Rho 0.4233694E-02 |GRAD(Rho)| 0.9229939E-16 GRAD(Rho)x -0.9167567E-16 GRAD(Rho)y 0.1052123E-16 GRAD(Rho)z 0.2012903E-17 Laplacian 0.1738843E-01 (-1/4)Del**2(Rho)) -0.4347108E-02 Diamond 0.1284788E-03 Metallicity 0.4390883E+00 Ellipticity -0.3077280E+00 Gb(Abramov) 0.3216199E-02 Vb(Abramov) -0.2085291E-02 Hb(Abramov) 0.1130909E-02 Ex_ueg -0.5058375E-03 Ec_ueg -0.1140861E-03 Delta_ex -0.6106065E-03 Delta_ec 0.1423265E-03 Delta_et -0.9015030E-03 Pxc 0.4433824E+01 Qxc -0.4290182E+01 3,+3 159 3 -1 3.172713 -2.262989 -2.189706 Rho 0.2110054E+00 |GRAD(Rho)| 0.1859309E-12 GRAD(Rho)x -0.1489402E-12 GRAD(Rho)y 0.8381596E-13 GRAD(Rho)z 0.7322566E-13 Laplacian 0.7874455E+00 (-1/4)Del**2(Rho)) -0.1968614E+00 Diamond 0.2385943E+01 Metallicity 0.6544583E+01 Ellipticity 0.2094043E-01 Gb(Abramov) 0.3459702E+00 Vb(Abramov) -0.4950790E+00 Hb(Abramov) -0.1491088E+00 Ex_ueg -0.9277762E-01 Ec_ueg -0.1245788E-01 Delta_ex -0.9201999E-01 Delta_ec 0.1805925E-01 Delta_et -0.2485506E+00 Pxc 0.7447306E+01 Qxc -0.5095450E+01 3,-1 160 3 -1 3.172713 -2.262989 2.189706 Rho 0.2110054E+00 |GRAD(Rho)| 0.1855635E-12 GRAD(Rho)x -0.1485091E-12 GRAD(Rho)y 0.8393739E-13 GRAD(Rho)z -0.7302999E-13 Laplacian 0.7874455E+00 (-1/4)Del**2(Rho)) -0.1968614E+00 Diamond 0.2385943E+01 Metallicity 0.6544583E+01 Ellipticity 0.2094043E-01 Gb(Abramov) 0.3459702E+00 Vb(Abramov) -0.4950790E+00 Hb(Abramov) -0.1491088E+00 Ex_ueg -0.9277762E-01 Ec_ueg -0.1245788E-01 Delta_ex -0.9201999E-01 Delta_ec 0.1805925E-01 Delta_et -0.2485506E+00 Pxc 0.7447306E+01 Qxc -0.5095450E+01 3,-1 161 3 -1 -2.744553 -0.965051 1.619245 Rho 0.4756287E-01 |GRAD(Rho)| 0.2674657E-13 GRAD(Rho)x -0.1912103E-13 GRAD(Rho)y 0.1535170E-13 GRAD(Rho)z -0.1068132E-13 Laplacian 0.1963843E+00 (-1/4)Del**2(Rho)) -0.4909607E-01 Diamond 0.9769507E-01 Metallicity 0.2190886E+01 Ellipticity 0.1265698E-01 Gb(Abramov) 0.5065803E-01 Vb(Abramov) -0.5221999E-01 Hb(Abramov) -0.1561962E-02 Ex_ueg -0.1272748E-01 Ec_ueg -0.2280608E-02 Delta_ex -0.1617877E-01 Delta_ec 0.6238656E-02 Delta_et -0.6502281E-01 Pxc 0.5580741E+01 Qxc -0.2593311E+01 3,-1 162 3 +3 0.012580 1.585455 -1.599620 Rho 0.4752188E-02 |GRAD(Rho)| 0.2849240E-12 GRAD(Rho)x -0.2783041E-12 GRAD(Rho)y 0.5770555E-13 GRAD(Rho)z 0.1996414E-13 Laplacian 0.1971303E-01 (-1/4)Del**2(Rho)) -0.4928257E-02 Diamond 0.1679707E-03 Metallicity 0.4695508E+00 Ellipticity -0.3295130E+00 Gb(Abramov) 0.3671182E-02 Vb(Abramov) -0.2414108E-02 Hb(Abramov) 0.1257075E-02 Ex_ueg -0.5900786E-03 Ec_ueg -0.1362641E-03 Delta_ex -0.7108568E-03 Delta_ec 0.1570281E-03 Delta_et -0.1028341E-02 Pxc 0.4330405E+01 Qxc -0.4526939E+01 3,+3 163 3 +3 0.012580 1.585455 1.599620 Rho 0.4752188E-02 |GRAD(Rho)| 0.2849301E-12 GRAD(Rho)x -0.2783118E-12 GRAD(Rho)y 0.5769908E-13 GRAD(Rho)z -0.1996366E-13 Laplacian 0.1971303E-01 (-1/4)Del**2(Rho)) -0.4928257E-02 Diamond 0.1679707E-03 Metallicity 0.4695508E+00 Ellipticity -0.3295130E+00 Gb(Abramov) 0.3671182E-02 Vb(Abramov) -0.2414108E-02 Hb(Abramov) 0.1257075E-02 Ex_ueg -0.5900786E-03 Ec_ueg -0.1362641E-03 Delta_ex -0.7108568E-03 Delta_ec 0.1570281E-03 Delta_et -0.1028341E-02 Pxc 0.4330405E+01 Qxc -0.4526939E+01 3,+3 164 3 -1 -0.563568 2.430534 0.000000 Rho 0.4410165E-01 |GRAD(Rho)| 0.6822990E-13 GRAD(Rho)x -0.1071208E-14 GRAD(Rho)y -0.6822149E-13 GRAD(Rho)z -0.1516753E-17 Laplacian 0.1724628E+00 (-1/4)Del**2(Rho)) -0.4311570E-01 Diamond 0.7405607E-01 Metallicity 0.2199593E+01 Ellipticity 0.8467178E-02 Gb(Abramov) 0.4454997E-01 Vb(Abramov) -0.4598423E-01 Hb(Abramov) -0.1434267E-02 Ex_ueg -0.1150778E-01 Ec_ueg -0.2091527E-02 Delta_ex -0.1377379E-01 Delta_ec 0.5174860E-02 Delta_et -0.5279744E-01 Pxc 0.5502094E+01 Qxc -0.2661674E+01 3,-1 165 3 -1 0.091174 4.508325 0.000000 Rho 0.2149537E+00 |GRAD(Rho)| 0.7365516E-13 GRAD(Rho)x -0.7557418E-14 GRAD(Rho)y -0.7320159E-13 GRAD(Rho)z -0.3081460E-14 Laplacian 0.7967821E+00 (-1/4)Del**2(Rho)) -0.1991955E+00 Diamond 0.2465756E+01 Metallicity 0.6670859E+01 Ellipticity 0.9805351E-04 Gb(Abramov) 0.3542646E+00 Vb(Abramov) -0.5093336E+00 Hb(Abramov) -0.1550690E+00 Ex_ueg -0.9509951E-01 Ec_ueg -0.1272494E-01 Delta_ex -0.9353879E-01 Delta_ec 0.1814643E-01 Delta_et -0.2499272E+00 Pxc 0.7473472E+01 Qxc -0.5154666E+01 3,-1 166 3 -1 -0.504296 -0.591264 0.000000 Rho 0.1372380E+00 |GRAD(Rho)| 0.1688946E-11 GRAD(Rho)x 0.5393850E-12 GRAD(Rho)y -0.1600501E-11 GRAD(Rho)z -0.1494405E-17 Laplacian 0.7147247E+00 (-1/4)Del**2(Rho)) -0.1786812E+00 Diamond 0.1559820E+01 Metallicity 0.3520452E+01 Ellipticity 0.3169148E-01 Gb(Abramov) 0.2239605E+00 Vb(Abramov) -0.2692399E+00 Hb(Abramov) -0.4527935E-01 Ex_ueg -0.5228185E-01 Ec_ueg -0.7631638E-02 Delta_ex -0.7800025E-01 Delta_ec 0.2370335E-01 Delta_et -0.3219093E+00 Pxc 0.6850673E+01 Qxc -0.3290685E+01 3,-1 167 3 -1 0.871671 -0.671890 -3.511682 Rho 0.1363209E+00 |GRAD(Rho)| 0.6341602E-15 GRAD(Rho)x -0.5033138E-15 GRAD(Rho)y 0.3807583E-15 GRAD(Rho)z 0.6210954E-16 Laplacian 0.5319442E+00 (-1/4)Del**2(Rho)) -0.1329860E+00 Diamond 0.9555265E+00 Metallicity 0.4677542E+01 Ellipticity 0.7189924E-01 Gb(Abramov) 0.1923320E+00 Vb(Abramov) -0.2516779E+00 Hb(Abramov) -0.5934595E-01 Ex_ueg -0.5181651E-01 Ec_ueg -0.7573689E-02 Delta_ex -0.5574500E-01 Delta_ec 0.1370591E-01 Delta_et -0.1796820E+00 Pxc 0.6841648E+01 Qxc -0.4067224E+01 3,-1 168 3 -1 1.828532 -2.520853 -1.640793 Rho 0.2236195E+00 |GRAD(Rho)| 0.2180295E-14 GRAD(Rho)x 0.7480995E-15 GRAD(Rho)y 0.2047028E-14 GRAD(Rho)z -0.6091861E-16 Laplacian 0.8540491E+00 (-1/4)Del**2(Rho)) -0.2135123E+00 Diamond 0.2756554E+01 Metallicity 0.6647316E+01 Ellipticity 0.1233102E-01 Gb(Abramov) 0.3788888E+00 Vb(Abramov) -0.5442653E+00 Hb(Abramov) -0.1653765E+00 Ex_ueg -0.1002454E+00 Ec_ueg -0.1331413E-01 Delta_ex -0.1012030E+00 Delta_ec 0.1907527E-01 Delta_et -0.2626735E+00 Pxc 0.7529251E+01 Qxc -0.5305458E+01 3,-1 169 3 -1 1.828532 -2.520853 1.640793 Rho 0.2236195E+00 |GRAD(Rho)| 0.2977059E-14 GRAD(Rho)x 0.1470666E-14 GRAD(Rho)y 0.2575468E-14 GRAD(Rho)z 0.2588126E-15 Laplacian 0.8540491E+00 (-1/4)Del**2(Rho)) -0.2135123E+00 Diamond 0.2756554E+01 Metallicity 0.6647316E+01 Ellipticity 0.1233102E-01 Gb(Abramov) 0.3788888E+00 Vb(Abramov) -0.5442653E+00 Hb(Abramov) -0.1653765E+00 Ex_ueg -0.1002454E+00 Ec_ueg -0.1331413E-01 Delta_ex -0.1012030E+00 Delta_ec 0.1907527E-01 Delta_et -0.2626735E+00 Pxc 0.7529251E+01 Qxc -0.5305458E+01 3,-1 170 3 -1 1.372711 -3.066930 -0.000000 Rho 0.8399588E-02 |GRAD(Rho)| 0.5729277E-17 GRAD(Rho)x 0.2298020E-17 GRAD(Rho)y -0.4440206E-17 GRAD(Rho)z 0.2797908E-17 Laplacian 0.3464884E-01 (-1/4)Del**2(Rho)) -0.8662209E-02 Diamond 0.2152610E-02 Metallicity 0.6902735E+00 Ellipticity 0.3648605E+00 Gb(Abramov) 0.6771355E-02 Vb(Abramov) -0.4880501E-02 Hb(Abramov) 0.1890854E-02 Ex_ueg -0.1261041E-02 Ec_ueg -0.2960221E-03 Delta_ex -0.2156876E-02 Delta_ec 0.1529162E-02 Delta_et -0.9536255E-02 Pxc 0.4259954E+01 Qxc -0.1410496E+01 3,-1 171 3 -1 2.866853 1.715936 0.876480 Rho 0.1313291E+00 |GRAD(Rho)| 0.1286955E-13 GRAD(Rho)x 0.1105223E-13 GRAD(Rho)y 0.5646431E-14 GRAD(Rho)z -0.3404585E-14 Laplacian 0.5414571E+00 (-1/4)Del**2(Rho)) -0.1353643E+00 Diamond 0.9285464E+00 Metallicity 0.4318347E+01 Ellipticity 0.2371110E-01 Gb(Abramov) 0.1876678E+00 Vb(Abramov) -0.2399714E+00 Hb(Abramov) -0.5230355E-01 Ex_ueg -0.4930222E-01 Ec_ueg -0.7259249E-02 Delta_ex -0.5621388E-01 Delta_ec 0.1404676E-01 Delta_et -0.1830230E+00 Pxc 0.6791641E+01 Qxc -0.4001910E+01 3,-1 172 3 -1 3.198921 2.346666 -2.222773 Rho 0.2180035E+00 |GRAD(Rho)| 0.6475249E-12 GRAD(Rho)x -0.4131907E-12 GRAD(Rho)y -0.4323991E-12 GRAD(Rho)z 0.2481793E-12 Laplacian 0.7923938E+00 (-1/4)Del**2(Rho)) -0.1980984E+00 Diamond 0.2507207E+01 Metallicity 0.6867171E+01 Ellipticity 0.9911607E-02 Gb(Abramov) 0.3587949E+00 Vb(Abramov) -0.5194914E+00 Hb(Abramov) -0.1606965E+00 Ex_ueg -0.9690279E-01 Ec_ueg -0.1293183E-01 Delta_ex -0.9344196E-01 Delta_ec 0.1811645E-01 Delta_et -0.2502792E+00 Pxc 0.7493357E+01 Qxc -0.5157853E+01 3,-1 173 3 -1 3.198921 2.346666 2.222773 Rho 0.2180035E+00 |GRAD(Rho)| 0.1058125E-13 GRAD(Rho)x -0.4372045E-15 GRAD(Rho)y 0.1056197E-13 GRAD(Rho)z 0.4652312E-15 Laplacian 0.7923938E+00 (-1/4)Del**2(Rho)) -0.1980984E+00 Diamond 0.2507207E+01 Metallicity 0.6867171E+01 Ellipticity 0.9911607E-02 Gb(Abramov) 0.3587949E+00 Vb(Abramov) -0.5194914E+00 Hb(Abramov) -0.1606965E+00 Ex_ueg -0.9690279E-01 Ec_ueg -0.1293183E-01 Delta_ex -0.9344196E-01 Delta_ec 0.1811645E-01 Delta_et -0.2502792E+00 Pxc 0.7493357E+01 Qxc -0.5157853E+01 3,-1 174 3 -1 -1.722685 -1.710091 -0.813786 Rho 0.6525715E-01 |GRAD(Rho)| 0.2639576E-13 GRAD(Rho)x -0.1363620E-13 GRAD(Rho)y -0.1412328E-13 GRAD(Rho)z -0.1764435E-13 Laplacian 0.2529703E+00 (-1/4)Del**2(Rho)) -0.6324259E-01 Diamond 0.1829855E+00 Metallicity 0.2881313E+01 Ellipticity 0.2741735E-01 Gb(Abramov) 0.7253200E-01 Vb(Abramov) -0.8182142E-01 Hb(Abramov) -0.9289417E-02 Ex_ueg -0.1940391E-01 Ec_ueg -0.3274142E-02 Delta_ex -0.2224493E-01 Delta_ec 0.7457438E-02 Delta_et -0.8413319E-01 Pxc 0.5926410E+01 Qxc -0.2982919E+01 3,-1 175 3 -1 -1.722685 -1.710091 0.813786 Rho 0.6525715E-01 |GRAD(Rho)| 0.2638784E-13 GRAD(Rho)x -0.1362400E-13 GRAD(Rho)y -0.1413219E-13 GRAD(Rho)z 0.1763480E-13 Laplacian 0.2529703E+00 (-1/4)Del**2(Rho)) -0.6324259E-01 Diamond 0.1829855E+00 Metallicity 0.2881313E+01 Ellipticity 0.2741735E-01 Gb(Abramov) 0.7253200E-01 Vb(Abramov) -0.8182142E-01 Hb(Abramov) -0.9289417E-02 Ex_ueg -0.1940391E-01 Ec_ueg -0.3274142E-02 Delta_ex -0.2224493E-01 Delta_ec 0.7457438E-02 Delta_et -0.8413319E-01 Pxc 0.5926410E+01 Qxc -0.2982919E+01 3,-1 176 3 -1 -1.723488 -1.678869 -2.279454 Rho 0.1309199E+00 |GRAD(Rho)| 0.3027317E-15 GRAD(Rho)x -0.2994160E-15 GRAD(Rho)y 0.3062194E-16 GRAD(Rho)z 0.3253962E-16 Laplacian 0.5436294E+00 (-1/4)Del**2(Rho)) -0.1359074E+00 Diamond 0.9336637E+00 Metallicity 0.4278780E+01 Ellipticity 0.1224534E-01 Gb(Abramov) 0.1875245E+00 Vb(Abramov) -0.2391417E+00 Hb(Abramov) -0.5161715E-01 Ex_ueg -0.4909751E-01 Ec_ueg -0.7233547E-02 Delta_ex -0.5645511E-01 Delta_ec 0.1421778E-01 Delta_et -0.1853575E+00 Pxc 0.6787474E+01 Qxc -0.3970741E+01 3,-1 177 3 -1 -1.723488 -1.678869 2.279454 Rho 0.1309199E+00 |GRAD(Rho)| 0.1298256E-15 GRAD(Rho)x -0.6967354E-16 GRAD(Rho)y 0.3519591E-16 GRAD(Rho)z -0.1037378E-15 Laplacian 0.5436294E+00 (-1/4)Del**2(Rho)) -0.1359074E+00 Diamond 0.9336637E+00 Metallicity 0.4278780E+01 Ellipticity 0.1224534E-01 Gb(Abramov) 0.1875245E+00 Vb(Abramov) -0.2391417E+00 Hb(Abramov) -0.5161715E-01 Ex_ueg -0.4909751E-01 Ec_ueg -0.7233547E-02 Delta_ex -0.5645511E-01 Delta_ec 0.1421778E-01 Delta_et -0.1853575E+00 Pxc 0.6787474E+01 Qxc -0.3970741E+01 3,-1 178 3 -1 2.710747 -1.673744 -0.859305 Rho 0.1326322E+00 |GRAD(Rho)| 0.1064969E-13 GRAD(Rho)x -0.2247436E-14 GRAD(Rho)y -0.1972711E-14 GRAD(Rho)z -0.1022122E-13 Laplacian 0.5345086E+00 (-1/4)Del**2(Rho)) -0.1336271E+00 Diamond 0.9351232E+00 Metallicity 0.4447065E+01 Ellipticity 0.9924521E-02 Gb(Abramov) 0.1881262E+00 Vb(Abramov) -0.2426252E+00 Hb(Abramov) -0.5449904E-01 Ex_ueg -0.4995554E-01 Ec_ueg -0.7341176E-02 Delta_ex -0.5571397E-01 Delta_ec 0.1399186E-01 Delta_et -0.1828992E+00 Pxc 0.6804842E+01 Qxc -0.3981884E+01 3,-1 179 3 -1 2.710747 -1.673744 0.859305 Rho 0.1326322E+00 |GRAD(Rho)| 0.3290322E-13 GRAD(Rho)x 0.2259428E-13 GRAD(Rho)y 0.3158608E-14 GRAD(Rho)z 0.2370956E-13 Laplacian 0.5345086E+00 (-1/4)Del**2(Rho)) -0.1336271E+00 Diamond 0.9351232E+00 Metallicity 0.4447065E+01 Ellipticity 0.9924521E-02 Gb(Abramov) 0.1881262E+00 Vb(Abramov) -0.2426252E+00 Hb(Abramov) -0.5449904E-01 Ex_ueg -0.4995554E-01 Ec_ueg -0.7341176E-02 Delta_ex -0.5571397E-01 Delta_ec 0.1399186E-01 Delta_et -0.1828992E+00 Pxc 0.6804842E+01 Qxc -0.3981884E+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 76 121 82 148 94 122 151 120 166 150 80 88 86 77 167 93 149 164 124 123 143 142 165 129 179 169 102 130 160 145 133 96 132 156 172 126 134 135 56 139 55 175 161 177 108 63 109 174 68 176 107 62 106 125 137 136 58 138 53 146 171 98 131 157 173 128 178 168 101 127 159 103 170 66 141 140 65 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 2.336120 1.940115 1.954135 1.917129 1.940644 1.753094 1.664473 1.656611 1.664473 1.663968 2.336120 1.954135 1.940115 1.940644 1.917129 1.753094 2.415152 1.981713 1.981713 1.881449 1.881449 1.758602 2.356783 1.941058 1.743731 2.221297 1.991736 1.766281 2.520239 1.943149 1.929465 1.844435 2.012699 1.753471 2.372852 1.788062 1.942051 1.965390 2.105481 1.761204 2.245830 2.357234 1.942161 1.962055 1.750562 1.768656 2.245830 2.357234 1.942161 1.962055 1.750562 1.768656 2.372852 1.788062 1.942051 1.965390 2.105481 1.761204 2.520239 1.943149 1.929465 1.844435 2.012699 1.753471 2.356783 1.941058 1.743731 2.221297 1.991736 1.766281 3.249965 2.952340 3.128419 3.198698 3.198698 3.128419 2.336830 1.940769 1.954698 1.917739 1.941262 1.753127 1.664498 1.656654 1.664497 1.663970 2.336831 1.954696 1.940771 1.941260 1.917743 1.753128 2.415815 1.982420 1.982420 1.881948 1.881949 1.758638 2.357621 1.941647 1.743782 2.221860 1.992419 1.766309 2.520796 1.943700 1.930184 1.844970 2.013231 1.753491 2.373487 1.788448 1.942508 1.965995 2.106143 1.761229 2.247012 2.357623 1.942750 1.962717 1.750582 1.768734 2.247010 2.357625 1.942751 1.962718 1.750586 1.768737 2.373489 1.788451 1.942513 1.965994 2.106134 1.761228 2.520795 1.943700 1.930182 1.844970 2.013233 1.753493 2.357622 1.941648 1.743780 2.221776 1.992419 1.766309 3.251827 2.959427 3.130891 3.201297 3.201297 3.130891 27 23 27 25 26 23 21 20 20 20 27 25 23 23 25 24 27 25 24 25 25 24 27 23 22 29 24 22 29 23 24 22 23 23 27 22 23 23 29 22 27 27 23 23 22 22 27 28 23 23 22 24 27 22 25 23 25 23 29 24 24 22 23 23 27 23 22 25 24 22 35 31 33 35 35 33 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 Mo Si Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.2842 1.9970 2.2842 2.2464 2.1967 2.2390 2.2584 2.2274 2.2274 2.2584 2.2390 2.1967 -1.1448 -1.1061 -1.1448 -1.1416 -0.8356 -0.9531 -0.8356 -0.9272 -0.7153 -0.9143 -0.9344 -0.9224 -0.9224 -0.9344 -0.9143 -0.7153 -0.9003 -0.9622 -0.9003 -0.9478 -0.9253 -0.9394 -0.9244 -0.7670 -0.7670 -0.9244 -0.9394 -0.9253 -0.7757 -0.8084 -0.7757 -0.8034 -0.8084 -0.7904 -0.8023 -0.8068 -0.8068 -0.8023 -0.7904 1.9084 2.3250 1.9084 1.9461 1.9532 1.9322 1.9164 1.9669 1.9669 1.9164 1.9322 1.9532 1.9033 1.9036 1.9033 1.9007 1.9639 1.9404 1.9639 1.9373 1.9799 1.9384 1.9379 1.9383 1.9383 1.9379 1.9384 1.9799 1.9513 1.9418 1.9513 1.9435 1.9428 1.9436 1.9456 1.9656 1.9656 1.9456 1.9436 1.9428 1.9639 1.9599 1.9639 1.9599 1.9599 1.9633 1.9610 1.9589 1.9589 1.9610 1.9633 6.1178 7.0984 6.1178 6.1106 6.1314 6.1217 6.1159 6.1066 6.1066 6.1159 6.1217 6.1314 5.2143 5.1771 5.2143 5.2132 4.8424 4.9865 4.8424 4.9640 4.7025 4.9516 4.9718 4.9581 4.9581 4.9718 4.9516 4.7025 4.9231 4.9925 4.9231 4.9772 4.9552 4.9689 4.9528 4.7714 4.7714 4.9528 4.9689 4.9552 4.7822 4.8208 4.7822 4.8148 4.8208 4.7975 4.8131 4.8206 4.8206 4.8131 4.7975 3.6896 0.5797 3.6896 3.6969 3.7187 3.7072 3.7093 3.6991 3.6991 3.7093 3.7072 3.7187 0.0272 0.0254 0.0272 0.0276 0.0294 0.0263 0.0294 0.0259 0.0328 0.0244 0.0246 0.0259 0.0259 0.0246 0.0244 0.0328 0.0260 0.0279 0.0260 0.0271 0.0273 0.0269 0.0260 0.0300 0.0300 0.0260 0.0269 0.0273 0.0295 0.0277 0.0295 0.0287 0.0277 0.0296 0.0282 0.0273 0.0273 0.0282 0.0296 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 Mo Si Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 3.184716 1.773470 3.184716 3.175800 3.143227 3.164698 3.159806 3.154398 3.154398 3.159806 3.164698 3.143227 -1.182885 -1.137557 -1.182885 -1.188149 -1.122594 -1.227354 -1.122594 -1.219046 -1.002997 -1.210069 -1.213308 -1.212554 -1.212554 -1.213308 -1.210069 -1.002997 -1.176464 -1.214418 -1.176464 -1.215723 -1.201175 -1.204609 -1.200022 -1.042723 -1.042723 -1.200022 -1.204609 -1.201175 -1.049990 -1.087829 -1.049990 -1.084853 -1.087829 -1.068526 -1.081798 -1.080387 -1.080387 -1.081798 -1.068526 2.371618 1.374620 2.371618 2.363142 2.359204 2.361407 2.354907 2.366791 2.366791 2.354907 2.361407 2.359204 -0.886103 -0.860477 -0.886103 -0.887027 -0.890212 -0.924361 -0.890212 -0.936413 -0.791287 -0.924667 -0.916356 -0.914987 -0.914987 -0.916356 -0.924667 -0.791287 -0.979452 -0.969051 -0.979452 -0.978528 -0.974916 -0.978936 -0.992874 -0.837945 -0.837945 -0.992874 -0.978936 -0.974916 -0.842865 -0.896773 -0.842865 -0.881272 -0.896773 -0.859701 -0.875353 -0.901816 -0.901816 -0.875353 -0.859701 2.468598 1.350973 2.468598 2.454533 2.431417 2.451160 2.433174 2.460294 2.460294 2.433174 2.451160 2.431417 -0.906715 -0.895735 -0.906715 -0.910912 -0.926482 -1.015168 -0.926482 -1.028750 -0.800952 -1.014640 -1.033704 -0.993689 -0.993689 -1.033704 -1.014640 -0.800952 -1.000002 -1.019869 -1.000002 -1.042149 -1.005030 -1.035432 -1.023585 -0.827608 -0.827608 -1.023585 -1.035432 -1.005030 -0.801779 -0.861802 -0.801779 -0.850472 -0.861802 -0.819966 -0.828265 -0.886220 -0.886220 -0.828265 -0.819966 1.54182970 -3.31148515 0.00000000 3.65283078 -22.07504672 -2.43409828 -0.00000000 16.40430811 -0.00000000 5.67073861 -310.3566 402.2790 -105.8052 -354.4141 -76.6875 -444.9845 Mar01-2024 16:27:15 Nodes: 1 Procs: 1 Mar01-2024 16:27:16 Nodes: 1 Procs: 1 0 Mar01-2024 16:27:17 Nodes: 1 Procs: 1 Mar01-2024 16:27:18 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar01-2024 16:27:19 Nodes: 1 Procs: 1 Mar01-2024 16:27:19 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar01-2024 16:27:20 Nodes: 1 Procs: 24 *** (NO TITLE) *** -8 -16.31110639 -16.33921934 -16.34676550 -16.34983900 -16.35231825 -16.35267966 -16.35275438 -16.35279405 -16.35278634 -16.35276956 -16.35274284 -16.35274679 -16.35282316 -16.35288890 -16.35292619 -16.35292270 -16.35289715 -16.35288104 -16.35287811 GEOMETRY CONVERGED