ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 21:14:03 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.01 0.38 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 21:14:03 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.56 0.02 0.61 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 0 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 Apr18-2024 21:14:04 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 21:14:04 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.67 0.04 0.74 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 0 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 Apr18-2024 21:14:04 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr18-2024 21:14:04 Nodes: 1 Procs: 1 Apr18-2024 21:14:05 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 21:14:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.41 0.03 0.49 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 0 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 Apr18-2024 21:14:04 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr18-2024 21:14:04 Nodes: 1 Procs: 1 Apr18-2024 21:14:05 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr18-2024 21:14:06 Nodes: 1 Procs: 1 Apr18-2024 21:14:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 21:14:06 Hydrogen (TZP) kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.16 0.06 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 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 0 Apr18-2024 21:14:03 Nodes: 1 Procs: 1 Apr18-2024 21:14:04 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr18-2024 21:14:04 Nodes: 1 Procs: 1 Apr18-2024 21:14:05 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr18-2024 21:14:06 Nodes: 1 Procs: 1 Apr18-2024 21:14:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr18-2024 21:14:06 Nodes: 1 Procs: 1 Apr18-2024 21:14:07 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr18-2024 21:14:09 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2138.7250999999983 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-1.794777 -0.129464 2.873365 Rho 0.3186835E+03 3,-3 19 3 -3 2.877710 1.212117 -1.285401 Rho 0.3188558E+03 3,-3 20 3 -3 -2.154269 2.187758 -1.466803 Rho 0.3191714E+03 3,-3 21 3 -3 3.344772 -0.982997 0.010761 Rho 0.3188942E+03 3,-3 22 3 -3 -2.231269 2.527950 1.643582 Rho 0.3193651E+03 3,-3 23 3 -3 0.938705 -3.234570 0.000188 Rho 0.3188168E+03 3,-3 24 3 -3 0.068266 1.801687 2.883388 Rho 0.3188981E+03 3,-3 25 3 -3 -1.259569 -3.145204 -1.624215 Rho 0.3192330E+03 3,-3 26 3 -3 2.817208 1.253316 1.310908 Rho 0.3188633E+03 3,-3 27 3 -3 -1.784224 -0.312823 -3.330723 Rho 0.3192295E+03 3,-3 28 3 -3 2.126938 -0.095038 -3.515276 Rho 0.3189947E+03 3,-3 29 3 -3 -0.931700 4.318744 -2.844310 Rho 0.3191858E+03 3,-3 30 3 -3 1.440013 3.489393 -1.421327 Rho 0.3189572E+03 3,-3 31 3 -3 0.104820 -1.967230 3.521669 Rho 0.3189120E+03 3,-3 32 3 -3 2.514994 -2.374708 -2.082852 Rho 0.3189736E+03 3,-3 33 3 -3 -0.777045 4.074616 -0.047243 Rho 0.3189624E+03 3,-3 34 3 -3 2.389978 -2.345918 2.165904 Rho 0.3189754E+03 3,-3 35 3 -3 0.681015 -4.585031 2.509732 Rho 0.3191750E+03 3,-3 36 3 -3 1.956889 -0.039073 3.460520 Rho 0.3189346E+03 3,-3 37 3 -3 0.304865 -2.077486 -3.595934 Rho 0.3188885E+03 3,-3 38 3 -3 1.475186 3.571530 1.311446 Rho 0.3190086E+03 3,-3 39 3 -3 0.893608 -4.644653 -2.493646 Rho 0.3191739E+03 3,-3 40 3 -3 4.704693 -0.628901 -2.521228 Rho 0.3191890E+03 3,-3 41 3 -3 -0.764988 4.580868 2.801886 Rho 0.3193056E+03 3,-3 42 3 -3 4.600376 -0.626064 2.518011 Rho 0.3192035E+03 3,-3 43 3 -3 -0.608127 3.216970 1.699395 Rho 0.1240649E+06 3,-3 44 3 -3 -0.087753 0.014682 -0.059318 Rho 0.1943367E+04 3,-3 45 3 -3 -1.896939 -0.047009 1.887048 Rho 0.4428322E+00 3,-3 46 3 -3 -2.081639 0.739070 -0.441368 Rho 0.4329736E+00 3,-3 47 3 +3 -1.237924 0.526761 -1.743736 Rho 0.3797892E-02 |GRAD(Rho)| 0.4201713E-13 GRAD(Rho)x -0.3080069E-13 GRAD(Rho)y -0.1588422E-13 GRAD(Rho)z 0.2375812E-13 Laplacian 0.1504903E-01 (-1/4)Del**2(Rho)) -0.3762258E-02 Diamond 0.1001972E-03 Metallicity 0.4233265E+00 Ellipticity -0.5480818E+00 Gb(Abramov) 0.2773616E-02 Vb(Abramov) -0.1784974E-02 Hb(Abramov) 0.9886421E-03 Ex_ueg -0.4376314E-03 Ec_ueg -0.9555372E-04 Delta_ex -0.5196026E-03 Delta_ec 0.1333156E-03 Delta_et -0.8070927E-03 Pxc 0.4579951E+01 Qxc -0.3897537E+01 3,+3 48 3 -1 1.546235 -2.670571 -1.983352 Rho 0.8700642E-01 |GRAD(Rho)| 0.5437062E-16 GRAD(Rho)x -0.1273260E-16 GRAD(Rho)y -0.4868915E-16 GRAD(Rho)z -0.2057697E-16 Laplacian 0.3491646E+00 (-1/4)Del**2(Rho)) -0.8729115E-01 Diamond 0.3633498E+00 Metallicity 0.3371593E+01 Ellipticity 0.1376455E-01 Gb(Abramov) 0.1072458E+00 Vb(Abramov) -0.1272005E+00 Hb(Abramov) -0.1995465E-01 Ex_ueg -0.2847433E-01 Ec_ueg -0.4544918E-02 Delta_ex -0.3287552E-01 Delta_ec 0.9897241E-02 Delta_et -0.1193250E+00 Pxc 0.6265091E+01 Qxc -0.3321685E+01 3,-1 49 3 +1 -0.916803 -3.082952 -0.061726 Rho 0.6579843E-02 |GRAD(Rho)| 0.1074610E-14 GRAD(Rho)x 0.1072236E-14 GRAD(Rho)y -0.6244398E-16 GRAD(Rho)z 0.3460213E-16 Laplacian 0.2864271E-01 (-1/4)Del**2(Rho)) -0.7160679E-02 Diamond 0.8747508E-03 Metallicity 0.5558508E+00 Ellipticity -0.2109084E+01 Gb(Abramov) 0.5437164E-02 Vb(Abramov) -0.3713649E-02 Hb(Abramov) 0.1723515E-02 Ex_ueg -0.9106240E-03 Ec_ueg -0.2155209E-03 Delta_ex -0.1444148E-02 Delta_ec 0.7964834E-03 Delta_et -0.4737181E-02 Pxc 0.4225225E+01 Qxc -0.1813155E+01 3,+1 50 3 -1 -0.559117 -2.993493 1.641214 Rho 0.2254937E+00 |GRAD(Rho)| 0.2440330E-13 GRAD(Rho)x -0.7727759E-14 GRAD(Rho)y -0.1065565E-13 GRAD(Rho)z -0.2054897E-13 Laplacian 0.8774383E+00 (-1/4)Del**2(Rho)) -0.2193596E+00 Diamond 0.2847127E+01 Metallicity 0.6560756E+01 Ellipticity 0.1346511E-01 Gb(Abramov) 0.3861005E+00 Vb(Abramov) -0.5528414E+00 Hb(Abramov) -0.1667409E+00 Ex_ueg -0.1013672E+00 Ec_ueg -0.1344210E-01 Delta_ex -0.1041220E+00 Delta_ec 0.1941106E-01 Delta_et -0.2668295E+00 Pxc 0.7541026E+01 Qxc -0.5364058E+01 3,-1 51 3 +1 1.389182 -1.584273 1.707384 Rho 0.2599913E-01 |GRAD(Rho)| 0.1580604E-15 GRAD(Rho)x -0.3775450E-16 GRAD(Rho)y -0.1508758E-15 GRAD(Rho)z 0.2818091E-16 Laplacian 0.1014310E+00 (-1/4)Del**2(Rho)) -0.2535775E-01 Diamond 0.1438616E-01 Metallicity 0.1550150E+01 Ellipticity -0.4778934E+01 Gb(Abramov) 0.2345655E-01 Vb(Abramov) -0.2155536E-01 Hb(Abramov) 0.1901198E-02 Ex_ueg -0.5688487E-02 Ec_ueg -0.1139149E-02 Delta_ex -0.6414571E-02 Delta_ec 0.1792002E-02 Delta_et -0.1595578E-01 Pxc 0.4993628E+01 Qxc -0.3579556E+01 3,+1 52 3 -1 -0.456670 -3.090075 -1.744874 Rho 0.2254776E+00 |GRAD(Rho)| 0.2934895E-14 GRAD(Rho)x 0.2878015E-14 GRAD(Rho)y 0.3314948E-16 GRAD(Rho)z -0.5740579E-15 Laplacian 0.8780733E+00 (-1/4)Del**2(Rho)) -0.2195183E+00 Diamond 0.2848570E+01 Metallicity 0.6555231E+01 Ellipticity 0.1186648E-01 Gb(Abramov) 0.3861778E+00 Vb(Abramov) -0.5528373E+00 Hb(Abramov) -0.1666595E+00 Ex_ueg -0.1013576E+00 Ec_ueg -0.1344100E-01 Delta_ex -0.1041933E+00 Delta_ec 0.1942165E-01 Delta_et -0.2669583E+00 Pxc 0.7540925E+01 Qxc -0.5364801E+01 3,-1 53 3 +1 1.508264 -1.518341 -1.744248 Rho 0.2394831E-01 |GRAD(Rho)| 0.2530102E-15 GRAD(Rho)x 0.1191730E-15 GRAD(Rho)y 0.2230031E-15 GRAD(Rho)z -0.9032867E-17 Laplacian 0.9176114E-01 (-1/4)Del**2(Rho)) -0.2294029E-01 Diamond 0.1196411E-01 Metallicity 0.1494213E+01 Ellipticity -0.5696993E+01 Gb(Abramov) 0.2100647E-01 Vb(Abramov) -0.1907265E-01 Hb(Abramov) 0.1933817E-02 Ex_ueg -0.5098216E-02 Ec_ueg -0.1035910E-02 Delta_ex -0.5716999E-02 Delta_ec 0.1691022E-02 Delta_et -0.1473532E-01 Pxc 0.4921484E+01 Qxc -0.3380796E+01 3,+1 54 3 -1 -1.204020 -3.079556 -0.070312 Rho 0.6734844E-02 |GRAD(Rho)| 0.8616584E-17 GRAD(Rho)x 0.4491782E-17 GRAD(Rho)y -0.1312438E-17 GRAD(Rho)z 0.7235117E-17 Laplacian 0.2661762E-01 (-1/4)Del**2(Rho)) -0.6654404E-02 Diamond 0.1172446E-02 Metallicity 0.6218084E+00 Ellipticity 0.7466573E+00 Gb(Abramov) 0.5125897E-02 Vb(Abramov) -0.3597390E-02 Hb(Abramov) 0.1528507E-02 Ex_ueg -0.9393378E-03 Ec_ueg -0.2223175E-03 Delta_ex -0.1556854E-02 Delta_ec 0.1111979E-02 Delta_et -0.6496509E-02 Pxc 0.4225208E+01 Qxc -0.1400075E+01 3,-1 55 3 +1 1.522731 -1.444666 -2.918464 Rho 0.1216101E-01 |GRAD(Rho)| 0.5335740E-17 GRAD(Rho)x 0.2055227E-17 GRAD(Rho)y -0.1661927E-17 GRAD(Rho)z 0.4635101E-17 Laplacian 0.5548559E-01 (-1/4)Del**2(Rho)) -0.1387140E-01 Diamond 0.1887971E-02 Metallicity 0.7986980E+00 Ellipticity -0.1183887E+01 Gb(Abramov) 0.1109411E-01 Vb(Abramov) -0.8316818E-02 Hb(Abramov) 0.2777290E-02 Ex_ueg -0.2065435E-02 Ec_ueg -0.4670071E-03 Delta_ex -0.2630127E-02 Delta_ec 0.5294408E-03 Delta_et -0.4128425E-02 Pxc 0.4422705E+01 Qxc -0.4967746E+01 3,+1 56 3 +1 0.565483 -1.692230 -0.053217 Rho 0.9101273E-02 |GRAD(Rho)| 0.8450045E-16 GRAD(Rho)x 0.5933162E-16 GRAD(Rho)y 0.2745757E-16 GRAD(Rho)z 0.5353660E-16 Laplacian 0.3717308E-01 (-1/4)Del**2(Rho)) -0.9293271E-02 Diamond 0.1053675E-02 Metallicity 0.7354528E+00 Ellipticity -0.1398791E+01 Gb(Abramov) 0.7334641E-02 Vb(Abramov) -0.5376011E-02 Hb(Abramov) 0.1958630E-02 Ex_ueg -0.1403421E-02 Ec_ueg -0.3274639E-03 Delta_ex -0.1714027E-02 Delta_ec 0.5074141E-03 Delta_et -0.3531447E-02 Pxc 0.4285727E+01 Qxc -0.3377966E+01 3,+1 57 3 +1 0.371231 -1.413034 -2.461588 Rho 0.2921603E-01 |GRAD(Rho)| 0.6508176E-15 GRAD(Rho)x 0.3159792E-15 GRAD(Rho)y 0.3794628E-15 GRAD(Rho)z -0.4239442E-15 Laplacian 0.1155236E+00 (-1/4)Del**2(Rho)) -0.2888090E-01 Diamond 0.1875217E-01 Metallicity 0.1653145E+01 Ellipticity -0.5017328E+01 Gb(Abramov) 0.2721132E-01 Vb(Abramov) -0.2554174E-01 Hb(Abramov) 0.1669580E-02 Ex_ueg -0.6645790E-02 Ec_ueg -0.1303240E-02 Delta_ex -0.7494088E-02 Delta_ec 0.1964302E-02 Delta_et -0.1800344E-01 Pxc 0.5099436E+01 Qxc -0.3815140E+01 3,+1 58 3 +1 1.382635 1.785945 1.914215 Rho 0.5789089E-02 |GRAD(Rho)| 0.3408798E-17 GRAD(Rho)x -0.9193881E-18 GRAD(Rho)y 0.2662715E-17 GRAD(Rho)z -0.1919525E-17 Laplacian 0.2421206E-01 (-1/4)Del**2(Rho)) -0.6053014E-02 Diamond 0.5892135E-03 Metallicity 0.5312086E+00 Ellipticity -0.1903465E+01 Gb(Abramov) 0.4571245E-02 Vb(Abramov) -0.3089476E-02 Hb(Abramov) 0.1481769E-02 Ex_ueg -0.7677126E-03 Ec_ueg -0.1810270E-03 Delta_ex -0.1163541E-02 Delta_ec 0.6282190E-03 Delta_et -0.3618241E-02 Pxc 0.4240874E+01 Qxc -0.1852127E+01 3,+1 59 3 -1 0.484460 3.249887 -1.544181 Rho 0.9907155E-01 |GRAD(Rho)| 0.5198979E-13 GRAD(Rho)x 0.3331618E-13 GRAD(Rho)y -0.2538537E-13 GRAD(Rho)z 0.3079860E-13 Laplacian 0.3883473E+00 (-1/4)Del**2(Rho)) -0.9708682E-01 Diamond 0.4735885E+00 Metallicity 0.3763927E+01 Ellipticity 0.1894731E-01 Gb(Abramov) 0.1256292E+00 Vb(Abramov) -0.1541715E+00 Hb(Abramov) -0.2854234E-01 Ex_ueg -0.3385715E-01 Ec_ueg -0.5268845E-02 Delta_ex -0.3769410E-01 Delta_ec 0.1072754E-01 Delta_et -0.1328617E+00 Pxc 0.6425915E+01 Qxc -0.3513769E+01 3,-1 60 3 +1 -0.310482 2.798127 0.232280 Rho 0.2528568E-01 |GRAD(Rho)| 0.4125552E-16 GRAD(Rho)x -0.1579373E-16 GRAD(Rho)y 0.3036891E-16 GRAD(Rho)z 0.2302836E-16 Laplacian 0.9422101E-01 (-1/4)Del**2(Rho)) -0.2355525E-01 Diamond 0.1072633E-01 Metallicity 0.1593150E+01 Ellipticity -0.2462175E+01 Gb(Abramov) 0.2195801E-01 Vb(Abramov) -0.2036076E-01 Hb(Abramov) 0.1597244E-02 Ex_ueg -0.5481313E-02 Ec_ueg -0.1103109E-02 Delta_ex -0.5686264E-02 Delta_ec 0.1256793E-02 Delta_et -0.1120137E-01 Pxc 0.4968970E+01 Qxc -0.4524425E+01 3,+1 61 3 +3 0.578170 3.293109 -0.017574 Rho 0.1227932E-01 |GRAD(Rho)| 0.5460224E-14 GRAD(Rho)x -0.1891163E-14 GRAD(Rho)y -0.5076222E-14 GRAD(Rho)z 0.6852146E-15 Laplacian 0.5524578E-01 (-1/4)Del**2(Rho)) -0.1381144E-01 Diamond 0.1357315E-02 Metallicity 0.8152129E+00 Ellipticity -0.7538380E+00 Gb(Abramov) 0.1108417E-01 Vb(Abramov) -0.8356904E-02 Hb(Abramov) 0.2727270E-02 Ex_ueg -0.2092268E-02 Ec_ueg -0.4724785E-03 Delta_ex -0.2472228E-02 Delta_ec 0.2530745E-03 Delta_et -0.2260489E-02 Pxc 0.4428282E+01 Qxc -0.9768777E+01 3,+3 62 3 +1 0.635421 3.495557 -0.033004 Rho 0.1239074E-01 |GRAD(Rho)| 0.3327409E-16 GRAD(Rho)x 0.3050791E-16 GRAD(Rho)y -0.1245086E-16 GRAD(Rho)z -0.4626931E-17 Laplacian 0.5654740E-01 (-1/4)Del**2(Rho)) -0.1413685E-01 Diamond 0.1898769E-02 Metallicity 0.8085299E+00 Ellipticity -0.1151320E+01 Gb(Abramov) 0.1132958E-01 Vb(Abramov) -0.8522306E-02 Hb(Abramov) 0.2807273E-02 Ex_ueg -0.2117621E-02 Ec_ueg -0.4776370E-03 Delta_ex -0.2673340E-02 Delta_ec 0.5021717E-03 Delta_et -0.3970076E-02 Pxc 0.4433536E+01 Qxc -0.5323556E+01 3,+1 63 3 -1 0.481364 3.386224 1.485282 Rho 0.8199119E-01 |GRAD(Rho)| 0.2761750E-14 GRAD(Rho)x -0.1087993E-14 GRAD(Rho)y -0.1998822E-14 GRAD(Rho)z 0.1564686E-14 Laplacian 0.3285326E+00 (-1/4)Del**2(Rho)) -0.8213315E-01 Diamond 0.3166325E+00 Metallicity 0.3245737E+01 Ellipticity 0.1457501E-01 Gb(Abramov) 0.9918586E-01 Vb(Abramov) -0.1162386E+00 Hb(Abramov) -0.1705272E-01 Ex_ueg -0.2630720E-01 Ec_ueg -0.4247743E-02 Delta_ex -0.3048195E-01 Delta_ec 0.9368348E-02 Delta_et -0.1114552E+00 Pxc 0.6193218E+01 Qxc -0.3253716E+01 3,-1 64 3 -1 1.431881 1.429001 2.110140 Rho 0.5974133E-02 |GRAD(Rho)| 0.3082651E-16 GRAD(Rho)x -0.5192051E-17 GRAD(Rho)y -0.2144370E-16 GRAD(Rho)z 0.2152868E-16 Laplacian 0.2423027E-01 (-1/4)Del**2(Rho)) -0.6057569E-02 Diamond 0.8072117E-03 Metallicity 0.5593877E+00 Ellipticity 0.4617772E+01 Gb(Abramov) 0.4603134E-02 Vb(Abramov) -0.3148699E-02 Hb(Abramov) 0.1454435E-02 Ex_ueg -0.8006048E-03 Ec_ueg -0.1890716E-03 Delta_ex -0.1312776E-02 Delta_ec 0.8797660E-03 Delta_et -0.4993639E-02 Pxc 0.4234400E+01 Qxc -0.1492188E+01 3,-1 65 3 -1 0.705784 -3.900821 -2.214208 Rho 0.2228810E+00 |GRAD(Rho)| 0.4262044E-15 GRAD(Rho)x -0.1457710E-15 GRAD(Rho)y 0.3290554E-15 GRAD(Rho)z 0.2283059E-15 Laplacian 0.8332557E+00 (-1/4)Del**2(Rho)) -0.2083139E+00 Diamond 0.2695347E+01 Metallicity 0.6775737E+01 Ellipticity 0.1894623E-01 Gb(Abramov) 0.3741227E+00 Vb(Abramov) -0.5399314E+00 Hb(Abramov) -0.1658088E+00 Ex_ueg -0.9980426E-01 Ec_ueg -0.1326376E-01 Delta_ex -0.9875181E-01 Delta_ec 0.1880259E-01 Delta_et -0.2595822E+00 Pxc 0.7524584E+01 Qxc -0.5252032E+01 3,-1 66 3 -1 0.453293 -1.799894 1.535035 Rho 0.5312302E-01 |GRAD(Rho)| 0.2120125E-15 GRAD(Rho)x 0.1544194E-16 GRAD(Rho)y 0.1995347E-15 GRAD(Rho)z -0.6997678E-16 Laplacian 0.2029974E+00 (-1/4)Del**2(Rho)) -0.5074934E-01 Diamond 0.1105317E+00 Metallicity 0.2548359E+01 Ellipticity 0.1120579E-01 Gb(Abramov) 0.5538749E-01 Vb(Abramov) -0.6002563E-01 Hb(Abramov) -0.4638145E-02 Ex_ueg -0.1474898E-01 Ec_ueg -0.2588216E-02 Delta_ex -0.1691862E-01 Delta_ec 0.5960014E-02 Delta_et -0.6381537E-01 Pxc 0.5698512E+01 Qxc -0.2838688E+01 3,-1 67 3 +1 0.305445 -1.345455 2.366518 Rho 0.2846923E-01 |GRAD(Rho)| 0.2214695E-14 GRAD(Rho)x -0.3086980E-15 GRAD(Rho)y -0.1906611E-14 GRAD(Rho)z 0.1083703E-14 Laplacian 0.1107695E+00 (-1/4)Del**2(Rho)) -0.2769239E-01 Diamond 0.1706650E-01 Metallicity 0.1651274E+01 Ellipticity -0.4393626E+01 Gb(Abramov) 0.2608288E-01 Vb(Abramov) -0.2447337E-01 Hb(Abramov) 0.1609511E-02 Ex_ueg -0.6420262E-02 Ec_ueg -0.1264922E-02 Delta_ex -0.7109823E-02 Delta_ec 0.1837207E-02 Delta_et -0.1674097E-01 Pxc 0.5075618E+01 Qxc -0.3869908E+01 3,+1 68 3 +1 0.137541 0.974319 1.499496 Rho 0.8235468E-02 |GRAD(Rho)| 0.3102271E-13 GRAD(Rho)x 0.1185864E-13 GRAD(Rho)y 0.8630453E-14 GRAD(Rho)z -0.2733673E-13 Laplacian 0.3256868E-01 (-1/4)Del**2(Rho)) -0.8142170E-02 Diamond 0.8221129E-03 Metallicity 0.7106027E+00 Ellipticity -0.1414706E+01 Gb(Abramov) 0.6392421E-02 Vb(Abramov) -0.4642673E-02 Hb(Abramov) 0.1749749E-02 Ex_ueg -0.1228295E-02 Ec_ueg -0.2886996E-03 Delta_ex -0.1471900E-02 Delta_ec 0.4587012E-03 Delta_et -0.3100097E-02 Pxc 0.4254579E+01 Qxc -0.3208842E+01 3,+1 69 3 -1 1.429448 -2.631269 2.000340 Rho 0.8847062E-01 |GRAD(Rho)| 0.1377217E-15 GRAD(Rho)x -0.1013526E-15 GRAD(Rho)y -0.9221309E-16 GRAD(Rho)z -0.1384475E-16 Laplacian 0.3538805E+00 (-1/4)Del**2(Rho)) -0.8847012E-01 Diamond 0.3761556E+00 Metallicity 0.3420490E+01 Ellipticity 0.1411231E-01 Gb(Abramov) 0.1094153E+00 Vb(Abramov) -0.1303604E+00 Hb(Abramov) -0.2094516E-01 Ex_ueg -0.2911503E-01 Ec_ueg -0.4632108E-02 Delta_ex -0.3345530E-01 Delta_ec 0.1000931E-01 Delta_et -0.1211178E+00 Pxc 0.6285481E+01 Qxc -0.3342417E+01 3,-1 70 3 +1 1.427505 1.511600 -2.020686 Rho 0.5255286E-02 |GRAD(Rho)| 0.2827995E-15 GRAD(Rho)x -0.1001278E-16 GRAD(Rho)y 0.2448179E-15 GRAD(Rho)z 0.1412072E-15 Laplacian 0.2146061E-01 (-1/4)Del**2(Rho)) -0.5365153E-02 Diamond 0.5630124E-03 Metallicity 0.5100722E+00 Ellipticity -0.8487177E+01 Gb(Abramov) 0.4032871E-02 Vb(Abramov) -0.2700589E-02 Hb(Abramov) 0.1332282E-02 Ex_ueg -0.6748080E-03 Ec_ueg -0.1579153E-03 Delta_ex -0.1101578E-02 Delta_ec 0.7190548E-03 Delta_et -0.3946483E-02 Pxc 0.4273228E+01 Qxc -0.1531981E+01 3,+1 71 3 +3 1.161993 1.082374 -1.693090 Rho 0.4585106E-02 |GRAD(Rho)| 0.8970881E-17 GRAD(Rho)x -0.6817927E-17 GRAD(Rho)y 0.1582724E-17 GRAD(Rho)z -0.5611378E-17 Laplacian 0.1912172E-01 (-1/4)Del**2(Rho)) -0.4780430E-02 Diamond 0.1786948E-03 Metallicity 0.4560389E+00 Ellipticity -0.2783631E+00 Gb(Abramov) 0.3550297E-02 Vb(Abramov) -0.2320164E-02 Hb(Abramov) 0.1230133E-02 Ex_ueg -0.5625799E-03 Ec_ueg -0.1291021E-03 Delta_ex -0.7076187E-03 Delta_ec 0.1960527E-03 Delta_et -0.1202957E-02 Pxc 0.4357634E+01 Qxc -0.3609329E+01 3,+3 72 3 +1 1.389041 0.706979 0.794884 Rho 0.8297721E-02 |GRAD(Rho)| 0.5926479E-17 GRAD(Rho)x -0.9124332E-18 GRAD(Rho)y -0.5798880E-17 GRAD(Rho)z 0.8146245E-18 Laplacian 0.3285156E-01 (-1/4)Del**2(Rho)) -0.8212889E-02 Diamond 0.8334423E-03 Metallicity 0.7133817E+00 Ellipticity -0.1411233E+01 Gb(Abramov) 0.6451747E-02 Vb(Abramov) -0.4690605E-02 Hb(Abramov) 0.1761142E-02 Ex_ueg -0.1240691E-02 Ec_ueg -0.2914757E-03 Delta_ex -0.1485445E-02 Delta_ec 0.4590056E-03 Delta_et -0.3111202E-02 Pxc 0.4256584E+01 Qxc -0.3236225E+01 3,+1 73 3 +1 1.472820 1.279287 -2.164463 Rho 0.5247651E-02 |GRAD(Rho)| 0.1805720E-16 GRAD(Rho)x -0.7850751E-17 GRAD(Rho)y -0.6967025E-17 GRAD(Rho)z -0.1469315E-16 Laplacian 0.2146379E-01 (-1/4)Del**2(Rho)) -0.5365947E-02 Diamond 0.5498291E-03 Metallicity 0.5087624E+00 Ellipticity -0.4763911E+01 Gb(Abramov) 0.4032297E-02 Vb(Abramov) -0.2698647E-02 Hb(Abramov) 0.1333650E-02 Ex_ueg -0.6735011E-03 Ec_ueg -0.1575858E-03 Delta_ex -0.1090844E-02 Delta_ec 0.7002486E-03 Delta_et -0.3848725E-02 Pxc 0.4273871E+01 Qxc -0.1557795E+01 3,+1 74 3 +3 1.811859 0.226889 -0.047204 Rho 0.4540398E-02 |GRAD(Rho)| 0.1196770E-15 GRAD(Rho)x -0.1281051E-17 GRAD(Rho)y 0.1148360E-15 GRAD(Rho)z 0.3366951E-16 Laplacian 0.1740255E-01 (-1/4)Del**2(Rho)) -0.4350637E-02 Diamond 0.1116295E-03 Metallicity 0.4929735E+00 Ellipticity -0.2820889E+00 Gb(Abramov) 0.3257883E-02 Vb(Abramov) -0.2165128E-02 Hb(Abramov) 0.1092754E-02 Ex_ueg -0.5552778E-03 Ec_ueg -0.1271882E-03 Delta_ex -0.5908276E-03 Delta_ec 0.8632277E-04 Delta_et -0.6438341E-03 Pxc 0.4365797E+01 Qxc -0.6844400E+01 3,+3 75 3 -1 2.644670 1.874793 -0.682951 Rho 0.1294267E+00 |GRAD(Rho)| 0.1714793E-14 GRAD(Rho)x 0.8019505E-15 GRAD(Rho)y -0.8118099E-15 GRAD(Rho)z -0.1279982E-14 Laplacian 0.5491007E+00 (-1/4)Del**2(Rho)) -0.1372752E+00 Diamond 0.9369600E+00 Metallicity 0.4155926E+01 Ellipticity 0.9807198E-02 Gb(Abramov) 0.1866010E+00 Vb(Abramov) -0.2359269E+00 Hb(Abramov) -0.4932585E-01 Ex_ueg -0.4835229E-01 Ec_ueg -0.7139845E-02 Delta_ex -0.5694826E-01 Delta_ec 0.1454776E-01 Delta_et -0.1895821E+00 Pxc 0.6772177E+01 Qxc -0.3914574E+01 3,-1 76 3 +1 1.692219 -0.670633 -0.092971 Rho 0.6695069E-02 |GRAD(Rho)| 0.5422168E-17 GRAD(Rho)x 0.4398536E-17 GRAD(Rho)y -0.1614023E-17 GRAD(Rho)z -0.2729051E-17 Laplacian 0.2513634E-01 (-1/4)Del**2(Rho)) -0.6284086E-02 Diamond 0.4935448E-03 Metallicity 0.6519828E+00 Ellipticity -0.1421455E+01 Gb(Abramov) 0.4872243E-02 Vb(Abramov) -0.3460401E-02 Hb(Abramov) 0.1411843E-02 Ex_ueg -0.9319482E-03 Ec_ueg -0.2205723E-03 Delta_ex -0.1088068E-02 Delta_ec 0.3706308E-03 Delta_et -0.2359419E-02 Pxc 0.4225137E+01 Qxc -0.2935718E+01 3,+1 77 3 +1 0.770475 2.561740 -0.765511 Rho 0.2894147E-01 |GRAD(Rho)| 0.5974325E-14 GRAD(Rho)x -0.2067967E-14 GRAD(Rho)y 0.4097929E-14 GRAD(Rho)z -0.3824009E-14 Laplacian 0.1131970E+00 (-1/4)Del**2(Rho)) -0.2829924E-01 Diamond 0.1771192E-01 Metallicity 0.1660783E+01 Ellipticity -0.4178610E+01 Gb(Abramov) 0.2669931E-01 Vb(Abramov) -0.2509937E-01 Hb(Abramov) 0.1599932E-02 Ex_ueg -0.6562650E-02 Ec_ueg -0.1289137E-02 Delta_ex -0.7286514E-02 Delta_ec 0.1856938E-02 Delta_et -0.1698927E-01 Pxc 0.5090729E+01 Qxc -0.3923940E+01 3,+1 78 3 -1 2.430298 -0.306014 2.667918 Rho 0.1144193E+00 |GRAD(Rho)| 0.1703657E-11 GRAD(Rho)x 0.1529431E-11 GRAD(Rho)y -0.4988647E-12 GRAD(Rho)z 0.5607329E-12 Laplacian 0.4519153E+00 (-1/4)Del**2(Rho)) -0.1129788E+00 Diamond 0.6633786E+00 Metallicity 0.4112020E+01 Ellipticity 0.2203028E-01 Gb(Abramov) 0.1527477E+00 Vb(Abramov) -0.1925167E+00 Hb(Abramov) -0.3976892E-01 Ex_ueg -0.4102523E-01 Ec_ueg -0.6206514E-02 Delta_ex -0.4548904E-01 Delta_ec 0.1228333E-01 Delta_et -0.1566257E+00 Pxc 0.6610028E+01 Qxc -0.3703314E+01 3,-1 79 3 -1 -1.861629 0.959449 -2.406761 Rho 0.6497106E-02 |GRAD(Rho)| 0.3088434E-16 GRAD(Rho)x 0.2953773E-16 GRAD(Rho)y 0.3987831E-17 GRAD(Rho)z -0.8090859E-17 Laplacian 0.2544533E-01 (-1/4)Del**2(Rho)) -0.6361332E-02 Diamond 0.1031462E-02 Metallicity 0.6126396E+00 Ellipticity 0.7996521E+00 Gb(Abramov) 0.4890422E-02 Vb(Abramov) -0.3419512E-02 Hb(Abramov) 0.1470910E-02 Ex_ueg -0.8953888E-03 Ec_ueg -0.2118976E-03 Delta_ex -0.1454726E-02 Delta_ec 0.1020335E-02 Delta_et -0.5908260E-02 Pxc 0.4225574E+01 Qxc -0.1425735E+01 3,-1 80 3 +1 -1.791672 0.359701 -1.747012 Rho 0.4192085E-02 |GRAD(Rho)| 0.1217034E-16 GRAD(Rho)x 0.9473216E-17 GRAD(Rho)y -0.5542984E-17 GRAD(Rho)z -0.5258381E-17 Laplacian 0.1589415E-01 (-1/4)Del**2(Rho)) -0.3973538E-02 Diamond 0.2296792E-03 Metallicity 0.4725263E+00 Ellipticity -0.1612434E+01 Gb(Abramov) 0.2961959E-02 Vb(Abramov) -0.1950380E-02 Hb(Abramov) 0.1011579E-02 Ex_ueg -0.4992198E-03 Ec_ueg -0.1123123E-03 Delta_ex -0.6903822E-03 Delta_ec 0.3687477E-03 Delta_et -0.1953289E-02 Pxc 0.4444924E+01 Qxc -0.1872235E+01 3,+1 81 3 -1 -1.826596 -0.047469 1.260604 Rho 0.3227580E-01 |GRAD(Rho)| 0.1923237E-16 GRAD(Rho)x -0.1331318E-16 GRAD(Rho)y 0.1703519E-18 GRAD(Rho)z 0.1387855E-16 Laplacian 0.9753378E-01 (-1/4)Del**2(Rho)) -0.2438344E-01 Diamond 0.4118924E-01 Metallicity 0.2311638E+01 Ellipticity 0.5572672E-01 Gb(Abramov) 0.2564991E-01 Vb(Abramov) -0.2691638E-01 Hb(Abramov) -0.1266470E-02 Ex_ueg -0.7589640E-02 Ec_ueg -0.1461582E-02 Delta_ex -0.8278810E-02 Delta_ec 0.4834645E-02 Delta_et -0.4528784E-01 Pxc 0.5192755E+01 Qxc -0.1712392E+01 3,-1 82 3 -1 -2.007536 0.556309 -0.334275 Rho 0.3113205E+00 |GRAD(Rho)| 0.1196900E-13 GRAD(Rho)x 0.8098865E-14 GRAD(Rho)y -0.8776737E-14 GRAD(Rho)z 0.7963141E-15 Laplacian -0.1566205E+01 (-1/4)Del**2(Rho)) 0.3915512E+00 Diamond 0.5312786E+01 Metallicity -0.6291838E+01 Ellipticity 0.4769695E-02 Gb(Abramov) 0.1495620E+00 Vb(Abramov) -0.6906752E+00 Hb(Abramov) -0.5411132E+00 Ex_ueg -0.1558340E+00 Ec_ueg -0.1950883E-01 Delta_ex 0.1542268E+00 Delta_ec 0.5475996E-01 Delta_et -0.1284846E+01 Pxc 0.7987866E+01 Qxc 0.2816414E+01 3,-1 83 3 -1 -1.943941 1.266909 0.827420 Rho 0.7806623E-02 |GRAD(Rho)| 0.9208700E-17 GRAD(Rho)x 0.6505213E-18 GRAD(Rho)y -0.8998878E-17 GRAD(Rho)z -0.1843144E-17 Laplacian 0.3035819E-01 (-1/4)Del**2(Rho)) -0.7589547E-02 Diamond 0.1506912E-02 Metallicity 0.6973369E+00 Ellipticity 0.4076108E+00 Gb(Abramov) 0.5941777E-02 Vb(Abramov) -0.4294006E-02 Hb(Abramov) 0.1647771E-02 Ex_ueg -0.1143763E-02 Ec_ueg -0.2696233E-03 Delta_ex -0.1760925E-02 Delta_ec 0.1154684E-02 Delta_et -0.7090080E-02 Pxc 0.4242078E+01 Qxc -0.1525028E+01 3,-1 84 3 -1 -1.983595 1.191722 2.172342 Rho 0.9746423E-02 |GRAD(Rho)| 0.4033458E-15 GRAD(Rho)x -0.2479101E-16 GRAD(Rho)y -0.3849856E-15 GRAD(Rho)z 0.1177257E-15 Laplacian 0.3854161E-01 (-1/4)Del**2(Rho)) -0.9635402E-02 Diamond 0.2648487E-02 Metallicity 0.7951067E+00 Ellipticity 0.3359644E+00 Gb(Abramov) 0.7700464E-02 Vb(Abramov) -0.5765525E-02 Hb(Abramov) 0.1934939E-02 Ex_ueg -0.1537607E-02 Ec_ueg -0.3565618E-03 Delta_ex -0.2361164E-02 Delta_ec 0.1512604E-02 Delta_et -0.9919899E-02 Pxc 0.4312316E+01 Qxc -0.1560993E+01 3,-1 85 3 +3 -1.009843 1.022185 1.484950 Rho 0.4366829E-02 |GRAD(Rho)| 0.5251282E-17 GRAD(Rho)x 0.3828589E-17 GRAD(Rho)y -0.2212450E-17 GRAD(Rho)z -0.2832478E-17 Laplacian 0.1716480E-01 (-1/4)Del**2(Rho)) -0.4291200E-02 Diamond 0.1135135E-03 Metallicity 0.4683654E+00 Ellipticity -0.4405355E+00 Gb(Abramov) 0.3195775E-02 Vb(Abramov) -0.2100350E-02 Hb(Abramov) 0.1095425E-02 Ex_ueg -0.5271570E-03 Ec_ueg -0.1197675E-03 Delta_ex -0.5867280E-03 Delta_ec 0.1032440E-03 Delta_et -0.7173550E-03 Pxc 0.4401504E+01 Qxc -0.5682924E+01 3,+3 86 3 +1 -1.627242 1.037418 -2.459730 Rho 0.6395858E-02 |GRAD(Rho)| 0.3451134E-15 GRAD(Rho)x -0.1459675E-15 GRAD(Rho)y -0.2894024E-15 GRAD(Rho)z -0.1185033E-15 Laplacian 0.2729153E-01 (-1/4)Del**2(Rho)) -0.6822882E-02 Diamond 0.8078661E-03 Metallicity 0.5564379E+00 Ellipticity -0.2227367E+01 Gb(Abramov) 0.5181340E-02 Vb(Abramov) -0.3539797E-02 Hb(Abramov) 0.1641542E-02 Ex_ueg -0.8768329E-03 Ec_ueg -0.2074681E-03 Delta_ex -0.1371675E-02 Delta_ec 0.7656507E-03 Delta_et -0.4512954E-02 Pxc 0.4226349E+01 Qxc -0.1791515E+01 3,+1 87 3 +1 -1.176044 1.339618 -0.613899 Rho 0.1302557E-01 |GRAD(Rho)| 0.6319751E-13 GRAD(Rho)x -0.1524983E-13 GRAD(Rho)y -0.5106983E-13 GRAD(Rho)z 0.3395941E-13 Laplacian 0.5363224E-01 (-1/4)Del**2(Rho)) -0.1340806E-01 Diamond 0.2103095E-02 Metallicity 0.9265059E+00 Ellipticity -0.1347349E+01 Gb(Abramov) 0.1100915E-01 Vb(Abramov) -0.8610235E-02 Hb(Abramov) 0.2398912E-02 Ex_ueg -0.2263500E-02 Ec_ueg -0.5071173E-03 Delta_ex -0.2615879E-02 Delta_ec 0.5564996E-03 Delta_et -0.4359415E-02 Pxc 0.4463465E+01 Qxc -0.4700595E+01 3,+1 88 3 +1 -1.388016 1.436518 0.712352 Rho 0.6552980E-02 |GRAD(Rho)| 0.5733792E-17 GRAD(Rho)x -0.4906015E-17 GRAD(Rho)y -0.4878910E-18 GRAD(Rho)z 0.2927346E-17 Laplacian 0.2579495E-01 (-1/4)Del**2(Rho)) -0.6448738E-02 Diamond 0.5209253E-03 Metallicity 0.6130226E+00 Ellipticity -0.1396697E+01 Gb(Abramov) 0.4958029E-02 Vb(Abramov) -0.3467320E-02 Hb(Abramov) 0.1490709E-02 Ex_ueg -0.9056704E-03 Ec_ueg -0.2143441E-03 Delta_ex -0.1129492E-02 Delta_ec 0.4138426E-03 Delta_et -0.2591835E-02 Pxc 0.4225311E+01 Qxc -0.2729278E+01 3,+1 89 3 +1 -1.932726 0.995182 1.347077 Rho 0.6795376E-02 |GRAD(Rho)| 0.7230883E-15 GRAD(Rho)x 0.3436921E-15 GRAD(Rho)y -0.6123845E-15 GRAD(Rho)z 0.1723881E-15 Laplacian 0.2548552E-01 (-1/4)Del**2(Rho)) -0.6371381E-02 Diamond 0.6342644E-03 Metallicity 0.6591872E+00 Ellipticity -0.1760269E+01 Gb(Abramov) 0.4947576E-02 Vb(Abramov) -0.3523771E-02 Hb(Abramov) 0.1423805E-02 Ex_ueg -0.9506115E-03 Ec_ueg -0.2249749E-03 Delta_ex -0.1183488E-02 Delta_ec 0.5119604E-03 Delta_et -0.3159832E-02 Pxc 0.4225411E+01 Qxc -0.2311678E+01 3,+1 90 3 +1 -1.479036 1.338785 2.368797 Rho 0.8106807E-02 |GRAD(Rho)| 0.2805956E-14 GRAD(Rho)x 0.2608873E-14 GRAD(Rho)y 0.6271602E-15 GRAD(Rho)z 0.8208780E-15 Laplacian 0.3671810E-01 (-1/4)Del**2(Rho)) -0.9179525E-02 Diamond 0.1062203E-02 Metallicity 0.6139732E+00 Ellipticity -0.1422500E+01 Gb(Abramov) 0.7059013E-02 Vb(Abramov) -0.4938502E-02 Hb(Abramov) 0.2120511E-02 Ex_ueg -0.1202776E-02 Ec_ueg -0.2829676E-03 Delta_ex -0.1728426E-02 Delta_ec 0.6520620E-03 Delta_et -0.4277611E-02 Pxc 0.4250579E+01 Qxc -0.2650708E+01 3,+1 91 3 +1 0.118937 0.894227 -1.581628 Rho 0.9726102E-02 |GRAD(Rho)| 0.2881335E-14 GRAD(Rho)x -0.8750121E-15 GRAD(Rho)y 0.2732356E-14 GRAD(Rho)z -0.2658445E-15 Laplacian 0.3879282E-01 (-1/4)Del**2(Rho)) -0.9698204E-02 Diamond 0.1176866E-02 Metallicity 0.7872148E+00 Ellipticity -0.1425337E+01 Gb(Abramov) 0.7737898E-02 Vb(Abramov) -0.5777591E-02 Hb(Abramov) 0.1960307E-02 Ex_ueg -0.1533334E-02 Ec_ueg -0.3556426E-03 Delta_ex -0.1809090E-02 Delta_ec 0.5110497E-03 Delta_et -0.3631944E-02 Pxc 0.4311448E+01 Qxc -0.3539948E+01 3,+1 92 3 -1 0.716156 -3.127537 -0.880929 Rho 0.1364862E+00 |GRAD(Rho)| 0.9561439E-14 GRAD(Rho)x -0.3380935E-14 GRAD(Rho)y -0.5260230E-14 GRAD(Rho)z 0.7233282E-14 Laplacian 0.5638232E+00 (-1/4)Del**2(Rho)) -0.1409558E+00 Diamond 0.1028445E+01 Metallicity 0.4421994E+01 Ellipticity 0.5030621E-02 Gb(Abramov) 0.1978548E+00 Vb(Abramov) -0.2547538E+00 Hb(Abramov) -0.5689902E-01 Ex_ueg -0.5190032E-01 Ec_ueg -0.7584132E-02 Delta_ex -0.5926335E-01 Delta_ec 0.1480901E-01 Delta_et -0.1947579E+00 Pxc 0.6843278E+01 Qxc -0.4001843E+01 3,-1 93 3 -1 0.664844 -3.102529 0.854002 Rho 0.1423511E+00 |GRAD(Rho)| 0.5089023E-15 GRAD(Rho)x -0.4421512E-16 GRAD(Rho)y 0.4917196E-16 GRAD(Rho)z 0.5045877E-15 Laplacian 0.5863408E+00 (-1/4)Del**2(Rho)) -0.1465852E+00 Diamond 0.1122987E+01 Metallicity 0.4561045E+01 Ellipticity 0.8346349E-02 Gb(Abramov) 0.2091537E+00 Vb(Abramov) -0.2717223E+00 Hb(Abramov) -0.6256856E-01 Ex_ueg -0.5489500E-01 Ec_ueg -0.7955686E-02 Delta_ex -0.6224188E-01 Delta_ec 0.1520672E-01 Delta_et -0.2012082E+00 Pxc 0.6900097E+01 Qxc -0.4093052E+01 3,-1 94 3 -1 0.390555 -2.509948 -2.782448 Rho 0.1351081E+00 |GRAD(Rho)| 0.4321369E-11 GRAD(Rho)x 0.8152420E-12 GRAD(Rho)y -0.4169504E-11 GRAD(Rho)z 0.7904725E-12 Laplacian 0.5202048E+00 (-1/4)Del**2(Rho)) -0.1300512E+00 Diamond 0.9407240E+00 Metallicity 0.4712387E+01 Ellipticity 0.3993550E-01 Gb(Abramov) 0.1888427E+00 Vb(Abramov) -0.2476343E+00 Hb(Abramov) -0.5879154E-01 Ex_ueg -0.5120277E-01 Ec_ueg -0.7497144E-02 Delta_ex -0.5458280E-01 Delta_ec 0.1376503E-01 Delta_et -0.1808714E+00 Pxc 0.6829637E+01 Qxc -0.3965324E+01 3,-1 95 3 -1 0.237055 -2.427012 2.716842 Rho 0.1285673E+00 |GRAD(Rho)| 0.3548624E-15 GRAD(Rho)x 0.5379845E-16 GRAD(Rho)y -0.1199195E-15 GRAD(Rho)z -0.3296246E-15 Laplacian 0.4953338E+00 (-1/4)Del**2(Rho)) -0.1238334E+00 Diamond 0.8442630E+00 Metallicity 0.4556164E+01 Ellipticity 0.3392986E-01 Gb(Abramov) 0.1765899E+00 Vb(Abramov) -0.2293463E+00 Hb(Abramov) -0.5275643E-01 Ex_ueg -0.4792466E-01 Ec_ueg -0.7085979E-02 Delta_ex -0.5136058E-01 Delta_ec 0.1327050E-01 Delta_et -0.1729771E+00 Pxc 0.6763308E+01 Qxc -0.3870283E+01 3,-1 96 3 +1 1.291396 -0.407178 -2.455671 Rho 0.2286603E-01 |GRAD(Rho)| 0.8609565E-16 GRAD(Rho)x -0.8163740E-16 GRAD(Rho)y 0.9249362E-17 GRAD(Rho)z -0.2573412E-16 Laplacian 0.8515874E-01 (-1/4)Del**2(Rho)) -0.2128969E-01 Diamond 0.9970720E-02 Metallicity 0.1490626E+01 Ellipticity -0.4167948E+01 Gb(Abramov) 0.1948228E-01 Vb(Abramov) -0.1767488E-01 Hb(Abramov) 0.1807403E-02 Ex_ueg -0.4793354E-02 Ec_ueg -0.9818842E-03 Delta_ex -0.5186703E-02 Delta_ec 0.1471241E-02 Delta_et -0.1269702E-01 Pxc 0.4881792E+01 Qxc -0.3525392E+01 3,+1 97 3 +1 1.386559 -1.386382 2.847915 Rho 0.1244763E-01 |GRAD(Rho)| 0.1782530E-13 GRAD(Rho)x 0.8413543E-14 GRAD(Rho)y 0.1346349E-13 GRAD(Rho)z 0.8104822E-14 Laplacian 0.5802370E-01 (-1/4)Del**2(Rho)) -0.1450592E-01 Diamond 0.1945029E-02 Metallicity 0.7939966E+00 Ellipticity -0.1135429E+01 Gb(Abramov) 0.1159023E-01 Vb(Abramov) -0.8674526E-02 Hb(Abramov) 0.2915699E-02 Ex_ueg -0.2130593E-02 Ec_ueg -0.4802722E-03 Delta_ex -0.2742304E-02 Delta_ec 0.5075772E-03 Delta_et -0.4025121E-02 Pxc 0.4436219E+01 Qxc -0.5402733E+01 3,+1 98 3 -1 1.736256 -0.642196 1.528743 Rho 0.3818646E-01 |GRAD(Rho)| 0.1295207E-15 GRAD(Rho)x 0.1243652E-15 GRAD(Rho)y 0.5365060E-17 GRAD(Rho)z 0.3577894E-16 Laplacian 0.1410886E+00 (-1/4)Del**2(Rho)) -0.3527216E-01 Diamond 0.4737098E-01 Metallicity 0.2114967E+01 Ellipticity 0.5724342E-01 Gb(Abramov) 0.3594801E-01 Vb(Abramov) -0.3662387E-01 Hb(Abramov) -0.6758536E-03 Ex_ueg -0.9497245E-02 Ec_ueg -0.1773110E-02 Delta_ex -0.1072235E-01 Delta_ec 0.3968503E-02 Delta_et -0.3892783E-01 Pxc 0.5356263E+01 Qxc -0.2701864E+01 3,-1 99 3 +1 1.435411 -0.408103 2.232593 Rho 0.2475083E-01 |GRAD(Rho)| 0.1743071E-13 GRAD(Rho)x 0.1738257E-13 GRAD(Rho)y -0.1066921E-14 GRAD(Rho)z 0.7332159E-15 Laplacian 0.9083815E-01 (-1/4)Del**2(Rho)) -0.2270954E-01 Diamond 0.1035910E-01 Metallicity 0.1594635E+01 Ellipticity -0.2704747E+01 Gb(Abramov) 0.2117526E-01 Vb(Abramov) -0.1964099E-01 Hb(Abramov) 0.1534276E-02 Ex_ueg -0.5327271E-02 Ec_ueg -0.1076177E-02 Delta_ex -0.5484991E-02 Delta_ec 0.1274428E-02 Delta_et -0.1128587E-01 Pxc 0.4950181E+01 Qxc -0.4303886E+01 3,+1 100 3 -1 1.090568 -0.125544 -3.549689 Rho 0.7931242E-01 |GRAD(Rho)| 0.3775016E-15 GRAD(Rho)x -0.3771601E-15 GRAD(Rho)y -0.1183400E-16 GRAD(Rho)z 0.1085092E-16 Laplacian 0.3172193E+00 (-1/4)Del**2(Rho)) -0.7930481E-01 Diamond 0.2937670E+00 Metallicity 0.3180453E+01 Ellipticity 0.1009513E-01 Gb(Abramov) 0.9490741E-01 Vb(Abramov) -0.1105100E+00 Hb(Abramov) -0.1560260E-01 Ex_ueg -0.2516750E-01 Ec_ueg -0.4089977E-02 Delta_ex -0.2921311E-01 Delta_ec 0.9112642E-02 Delta_et -0.1076262E+00 Pxc 0.6153456E+01 Qxc -0.3205778E+01 3,-1 101 3 -1 1.066798 -0.036406 3.468976 Rho 0.1578987E+00 |GRAD(Rho)| 0.4181872E-13 GRAD(Rho)x -0.2124467E-13 GRAD(Rho)y 0.5303887E-14 GRAD(Rho)z 0.3562777E-13 Laplacian 0.6209109E+00 (-1/4)Del**2(Rho)) -0.1552277E+00 Diamond 0.1337276E+01 Metallicity 0.5119349E+01 Ellipticity 0.5159985E-01 Gb(Abramov) 0.2359293E+00 Vb(Abramov) -0.3166308E+00 Hb(Abramov) -0.8070156E-01 Ex_ueg -0.6303132E-01 Ec_ueg -0.8951045E-02 Delta_ex -0.6752012E-01 Delta_ec 0.1553637E-01 Delta_et -0.2082127E+00 Pxc 0.7041783E+01 Qxc -0.4345939E+01 3,-1 102 3 +1 2.986356 0.486661 0.012483 Rho 0.1268196E-01 |GRAD(Rho)| 0.7887363E-17 GRAD(Rho)x -0.8172146E-18 GRAD(Rho)y -0.5201638E-17 GRAD(Rho)z -0.5872446E-17 Laplacian 0.6287261E-01 (-1/4)Del**2(Rho)) -0.1571815E-01 Diamond 0.2650593E-02 Metallicity 0.7558959E+00 Ellipticity -0.1263756E+01 Gb(Abramov) 0.1245898E-01 Vb(Abramov) -0.9199814E-02 Hb(Abramov) 0.3259170E-02 Ex_ueg -0.2184238E-02 Ec_ueg -0.4911413E-03 Delta_ex -0.3117913E-02 Delta_ec 0.7838758E-03 Delta_et -0.5981546E-02 Pxc 0.4447271E+01 Qxc -0.3977560E+01 3,+1 103 3 +1 2.121943 -2.089683 -0.171593 Rho 0.5163115E-02 |GRAD(Rho)| 0.6294249E-17 GRAD(Rho)x 0.3909070E-17 GRAD(Rho)y 0.3826358E-17 GRAD(Rho)z -0.3113796E-17 Laplacian 0.2095960E-01 (-1/4)Del**2(Rho)) -0.5239901E-02 Diamond 0.5102439E-03 Metallicity 0.5070877E+00 Ellipticity -0.3121010E+01 Gb(Abramov) 0.3936116E-02 Vb(Abramov) -0.2632330E-02 Hb(Abramov) 0.1303785E-02 Ex_ueg -0.6590739E-03 Ec_ueg -0.1539391E-03 Delta_ex -0.1048498E-02 Delta_ec 0.6598550E-03 Delta_et -0.3618330E-02 Pxc 0.4281395E+01 Qxc -0.1588982E+01 3,+1 104 3 +3 1.637451 -1.576496 -0.086738 Rho 0.4146315E-02 |GRAD(Rho)| 0.3282651E-17 GRAD(Rho)x 0.1581687E-17 GRAD(Rho)y -0.2780022E-18 GRAD(Rho)z -0.2863002E-17 Laplacian 0.1722776E-01 (-1/4)Del**2(Rho)) -0.4306939E-02 Diamond 0.1291993E-03 Metallicity 0.4280439E+00 Ellipticity -0.3130204E+00 Gb(Abramov) 0.3178553E-02 Vb(Abramov) -0.2050166E-02 Hb(Abramov) 0.1128387E-02 Ex_ueg -0.4919657E-03 Ec_ueg -0.1103623E-03 Delta_ex -0.6082298E-03 Delta_ec 0.1526306E-03 Delta_et -0.9437097E-03 Pxc 0.4457733E+01 Qxc -0.3984980E+01 3,+3 105 3 +1 1.445588 1.346879 2.159601 Rho 0.5970369E-02 |GRAD(Rho)| 0.8061969E-17 GRAD(Rho)x 0.6968136E-17 GRAD(Rho)y -0.3016444E-17 GRAD(Rho)z -0.2709518E-17 Laplacian 0.2459167E-01 (-1/4)Del**2(Rho)) -0.6147918E-02 Diamond 0.7446606E-03 Metallicity 0.5505884E+00 Ellipticity -0.5330023E+01 Gb(Abramov) 0.4662774E-02 Vb(Abramov) -0.3177630E-02 Hb(Abramov) 0.1485144E-02 Ex_ueg -0.7999325E-03 Ec_ueg -0.1889078E-03 Delta_ex -0.1278032E-02 Delta_ec 0.7961785E-03 Delta_et -0.4551430E-02 Pxc 0.4234512E+01 Qxc -0.1605208E+01 3,+1 106 3 -1 2.738943 -1.536550 -2.024401 Rho 0.1741030E+00 |GRAD(Rho)| 0.1777500E-15 GRAD(Rho)x -0.7548758E-16 GRAD(Rho)y -0.1602993E-15 GRAD(Rho)z 0.1417086E-16 Laplacian 0.6723105E+00 (-1/4)Del**2(Rho)) -0.1680776E+00 Diamond 0.1628977E+01 Metallicity 0.5564001E+01 Ellipticity 0.3927415E-01 Gb(Abramov) 0.2679158E+00 Vb(Abramov) -0.3677539E+00 Hb(Abramov) -0.9983813E-01 Ex_ueg -0.7180040E-01 Ec_ueg -0.1000392E-01 Delta_ex -0.7491664E-01 Delta_ec 0.1641736E-01 Delta_et -0.2226612E+00 Pxc 0.7177228E+01 Qxc -0.4563259E+01 3,-1 107 3 -1 3.184092 -0.783823 -0.924709 Rho 0.1056827E+00 |GRAD(Rho)| 0.4391853E-15 GRAD(Rho)x -0.3604972E-17 GRAD(Rho)y -0.7670222E-16 GRAD(Rho)z 0.4324205E-15 Laplacian 0.4422396E+00 (-1/4)Del**2(Rho)) -0.1105599E+00 Diamond 0.5911211E+00 Metallicity 0.3680970E+01 Ellipticity 0.9310209E-02 Gb(Abramov) 0.1415346E+00 Vb(Abramov) -0.1725092E+00 Hb(Abramov) -0.3097465E-01 Ex_ueg -0.3690262E-01 Ec_ueg -0.5670559E-02 Delta_ex -0.4370851E-01 Delta_ec 0.1227175E-01 Delta_et -0.1542141E+00 Pxc 0.6507756E+01 Qxc -0.3561717E+01 3,-1 108 3 -1 3.167861 -0.795563 0.841290 Rho 0.1691074E+00 |GRAD(Rho)| 0.2827252E-15 GRAD(Rho)x -0.1031415E-15 GRAD(Rho)y 0.1513546E-15 GRAD(Rho)z 0.2153768E-15 Laplacian 0.6991191E+00 (-1/4)Del**2(Rho)) -0.1747798E+00 Diamond 0.1627849E+01 Metallicity 0.5097217E+01 Ellipticity 0.2764654E-01 Gb(Abramov) 0.2650016E+00 Vb(Abramov) -0.3552234E+00 Hb(Abramov) -0.9022180E-01 Ex_ueg -0.6906668E-01 Ec_ueg -0.9677683E-02 Delta_ex -0.7727170E-01 Delta_ec 0.1708180E-01 Delta_et -0.2305750E+00 Pxc 0.7136696E+01 Qxc -0.4523628E+01 3,-1 109 3 -1 2.652495 -1.530021 1.993674 Rho 0.1706729E+00 |GRAD(Rho)| 0.3076890E-15 GRAD(Rho)x -0.7948557E-16 GRAD(Rho)y -0.2970714E-15 GRAD(Rho)z -0.1015762E-16 Laplacian 0.6646307E+00 (-1/4)Del**2(Rho)) -0.1661577E+00 Diamond 0.1566174E+01 Metallicity 0.5444695E+01 Ellipticity 0.5011597E-01 Gb(Abramov) 0.2615514E+00 Vb(Abramov) -0.3569452E+00 Hb(Abramov) -0.9539375E-01 Ex_ueg -0.6992047E-01 Ec_ueg -0.9779757E-02 Delta_ex -0.7364115E-01 Delta_ec 0.1622149E-01 Delta_et -0.2192520E+00 Pxc 0.7149511E+01 Qxc -0.4539729E+01 3,-1 110 3 -1 2.532780 -0.321451 -2.792395 Rho 0.1828065E+00 |GRAD(Rho)| 0.5533488E-15 GRAD(Rho)x 0.3047963E-15 GRAD(Rho)y -0.2573625E-15 GRAD(Rho)z 0.3834823E-15 Laplacian 0.7038858E+00 (-1/4)Del**2(Rho)) -0.1759715E+00 Diamond 0.1809462E+01 Metallicity 0.5764527E+01 Ellipticity 0.4528588E-01 Gb(Abramov) 0.2863797E+00 Vb(Abramov) -0.3967879E+00 Hb(Abramov) -0.1104082E+00 Ex_ueg -0.7662560E-01 Ec_ueg -0.1057574E-01 Delta_ex -0.7941123E-01 Delta_ec 0.1698440E-01 Delta_et -0.2315998E+00 Pxc 0.7245416E+01 Qxc -0.4675538E+01 3,-1 111 3 -1 2.937968 0.367309 -1.595241 Rho 0.1445850E+00 |GRAD(Rho)| 0.6640420E-15 GRAD(Rho)x 0.2787924E-16 GRAD(Rho)y 0.6508737E-15 GRAD(Rho)z 0.1285999E-15 Laplacian 0.6070072E+00 (-1/4)Del**2(Rho)) -0.1517518E+00 Diamond 0.1175109E+01 Metallicity 0.4521592E+01 Ellipticity 0.1169181E-01 Gb(Abramov) 0.2155278E+00 Vb(Abramov) -0.2793038E+00 Hb(Abramov) -0.6377603E-01 Ex_ueg -0.5604661E-01 Ec_ueg -0.8097782E-02 Delta_ex -0.6458242E-01 Delta_ec 0.1550720E-01 Delta_et -0.2052791E+00 Pxc 0.6921230E+01 Qxc -0.4164675E+01 3,-1 112 3 -1 2.887187 0.379577 1.530268 Rho 0.1439339E+00 |GRAD(Rho)| 0.3524079E-15 GRAD(Rho)x -0.1591744E-16 GRAD(Rho)y 0.3476765E-15 GRAD(Rho)z 0.5530786E-16 Laplacian 0.6031190E+00 (-1/4)Del**2(Rho)) -0.1507797E+00 Diamond 0.1159126E+01 Metallicity 0.4516641E+01 Ellipticity 0.9147450E-02 Gb(Abramov) 0.2140228E+00 Vb(Abramov) -0.2772659E+00 Hb(Abramov) -0.6324308E-01 Ex_ueg -0.5571037E-01 Ec_ueg -0.8056337E-02 Delta_ex -0.6407538E-01 Delta_ec 0.1538471E-01 Delta_et -0.2034366E+00 Pxc 0.6915099E+01 Qxc -0.4164874E+01 3,-1 113 3 -1 1.742880 -0.648116 -1.676211 Rho 0.3237778E-01 |GRAD(Rho)| 0.1565592E-14 GRAD(Rho)x 0.1286281E-14 GRAD(Rho)y 0.1479033E-15 GRAD(Rho)z 0.8801618E-15 Laplacian 0.1170545E+00 (-1/4)Del**2(Rho)) -0.2926361E-01 Diamond 0.3054965E-01 Metallicity 0.1936290E+01 Ellipticity 0.4841464E-01 Gb(Abramov) 0.2895288E-01 Vb(Abramov) -0.2864215E-01 Hb(Abramov) 0.3107330E-03 Ex_ueg -0.7621629E-02 Ec_ueg -0.1466896E-02 Delta_ex -0.8473423E-02 Delta_ec 0.3179480E-02 Delta_et -0.2983019E-01 Pxc 0.5195755E+01 Qxc -0.2665035E+01 3,-1 114 3 -1 -1.472669 2.846489 1.666053 Rho 0.2119227E+00 |GRAD(Rho)| 0.5242238E-13 GRAD(Rho)x -0.2462641E-13 GRAD(Rho)y -0.4152318E-13 GRAD(Rho)z 0.2043213E-13 Laplacian 0.8184172E+00 (-1/4)Del**2(Rho)) -0.2046043E+00 Diamond 0.2461873E+01 Metallicity 0.6342605E+01 Ellipticity 0.1772339E-01 Gb(Abramov) 0.3526903E+00 Vb(Abramov) -0.5007762E+00 Hb(Abramov) -0.1480860E+00 Ex_ueg -0.9331579E-01 Ec_ueg -0.1251985E-01 Delta_ex -0.9555208E-01 Delta_ec 0.1840028E-01 Delta_et -0.2520149E+00 Pxc 0.7453429E+01 Qxc -0.5192968E+01 3,-1 115 3 -1 -0.234944 2.285886 -2.357488 Rho 0.1372482E+00 |GRAD(Rho)| 0.1003930E-14 GRAD(Rho)x 0.2991856E-15 GRAD(Rho)y -0.7722501E-15 GRAD(Rho)z -0.5674443E-15 Laplacian 0.5703165E+00 (-1/4)Del**2(Rho)) -0.1425791E+00 Diamond 0.1044226E+01 Metallicity 0.4412401E+01 Ellipticity 0.9016423E-02 Gb(Abramov) 0.1999055E+00 Vb(Abramov) -0.2572318E+00 Hb(Abramov) -0.5732634E-01 Ex_ueg -0.5228703E-01 Ec_ueg -0.7632282E-02 Delta_ex -0.5999262E-01 Delta_ec 0.1489854E-01 Delta_et -0.1959845E+00 Pxc 0.6850773E+01 Qxc -0.4026745E+01 3,-1 116 3 -1 -0.158073 2.281684 -0.861525 Rho 0.6133565E-01 |GRAD(Rho)| 0.7684755E-17 GRAD(Rho)x 0.5180877E-17 GRAD(Rho)y 0.5411694E-17 GRAD(Rho)z -0.1711007E-17 Laplacian 0.2366281E+00 (-1/4)Del**2(Rho)) -0.5915702E-01 Diamond 0.1552951E+00 Metallicity 0.2778019E+01 Ellipticity 0.1544432E-01 Gb(Abramov) 0.6682790E-01 Vb(Abramov) -0.7449878E-01 Hb(Abramov) -0.7670880E-02 Ex_ueg -0.1786497E-01 Ec_ueg -0.3050435E-02 Delta_ex -0.2041289E-01 Delta_ec 0.6859728E-02 Delta_et -0.7614319E-01 Pxc 0.5856533E+01 Qxc -0.2975758E+01 3,-1 117 3 -1 -0.180426 2.395798 0.806432 Rho 0.3541821E-01 |GRAD(Rho)| 0.7784506E-15 GRAD(Rho)x 0.3116393E-17 GRAD(Rho)y 0.6570424E-15 GRAD(Rho)z 0.4174576E-15 Laplacian 0.1342613E+00 (-1/4)Del**2(Rho)) -0.3356532E-01 Diamond 0.4248651E-01 Metallicity 0.1960530E+01 Ellipticity 0.3499034E-01 Gb(Abramov) 0.3334451E-01 Vb(Abramov) -0.3312371E-01 Hb(Abramov) 0.2208030E-03 Ex_ueg -0.8590543E-02 Ec_ueg -0.1626325E-02 Delta_ex -0.1013649E-01 Delta_ec 0.3997160E-02 Delta_et -0.3843320E-01 Pxc 0.5282182E+01 Qxc -0.2535922E+01 3,-1 118 3 -1 -0.254721 2.461907 2.311414 Rho 0.1241660E+00 |GRAD(Rho)| 0.1049943E-12 GRAD(Rho)x 0.9793246E-13 GRAD(Rho)y -0.1271506E-13 GRAD(Rho)z 0.3565614E-13 Laplacian 0.5087840E+00 (-1/4)Del**2(Rho)) -0.1271960E+00 Diamond 0.8188666E+00 Metallicity 0.4185531E+01 Ellipticity 0.5854416E-02 Gb(Abramov) 0.1735278E+00 Vb(Abramov) -0.2198596E+00 Hb(Abramov) -0.4633181E-01 Ex_ueg -0.4574972E-01 Ec_ueg -0.6810907E-02 Delta_ex -0.5215378E-01 Delta_ec 0.1345084E-01 Delta_et -0.1737937E+00 Pxc 0.6717126E+01 Qxc -0.3877363E+01 3,-1 119 3 +3 1.389142 -1.336015 -2.706812 Rho 0.1192762E-01 |GRAD(Rho)| 0.1050271E-16 GRAD(Rho)x 0.9728218E-17 GRAD(Rho)y -0.3947696E-17 GRAD(Rho)z 0.2905619E-18 Laplacian 0.5335267E-01 (-1/4)Del**2(Rho)) -0.1333817E-01 Diamond 0.1194715E-02 Metallicity 0.8042293E+00 Ellipticity -0.6602191E+00 Gb(Abramov) 0.1067994E-01 Vb(Abramov) -0.8021704E-02 Hb(Abramov) 0.2658232E-02 Ex_ueg -0.2012751E-02 Ec_ueg -0.4562286E-03 Delta_ex -0.2348732E-02 Delta_ec 0.2111593E-03 Delta_et -0.1952099E-02 Pxc 0.4411715E+01 Qxc -0.1112304E+02 3,+3 120 3 -1 0.492972 -1.840435 -1.620478 Rho 0.5213045E-01 |GRAD(Rho)| 0.1287716E-13 GRAD(Rho)x 0.1228571E-13 GRAD(Rho)y -0.2553156E-14 GRAD(Rho)z -0.2892034E-14 Laplacian 0.1982133E+00 (-1/4)Del**2(Rho)) -0.4955333E-01 Diamond 0.1050943E+00 Metallicity 0.2529101E+01 Ellipticity 0.8065178E-02 Gb(Abramov) 0.5392311E-01 Vb(Abramov) -0.5829290E-01 Hb(Abramov) -0.4369784E-02 Ex_ueg -0.1438270E-01 Ec_ueg -0.2532971E-02 Delta_ex -0.1643705E-01 Delta_ec 0.5813137E-02 Delta_et -0.6193840E-01 Pxc 0.5678192E+01 Qxc -0.2827570E+01 3,-1 121 3 +3 1.299847 -1.311243 2.672725 Rho 0.1233637E-01 |GRAD(Rho)| 0.4696009E-17 GRAD(Rho)x -0.1396153E-19 GRAD(Rho)y -0.3802282E-17 GRAD(Rho)z 0.2755894E-17 Laplacian 0.5650229E-01 (-1/4)Del**2(Rho)) -0.1412557E-01 Diamond 0.1378609E-02 Metallicity 0.8032665E+00 Ellipticity -0.7790218E+00 Gb(Abramov) 0.1130815E-01 Vb(Abramov) -0.8490725E-02 Hb(Abramov) 0.2817425E-02 Ex_ueg -0.2105241E-02 Ec_ueg -0.4751194E-03 Delta_ex -0.2526701E-02 Delta_ec 0.2495787E-03 Delta_et -0.2250344E-02 Pxc 0.4430972E+01 Qxc -0.1012386E+02 3,+3 122 3 +1 1.416690 0.650417 -0.879781 Rho 0.8081390E-02 |GRAD(Rho)| 0.1283268E-14 GRAD(Rho)x 0.1028302E-14 GRAD(Rho)y -0.4475845E-15 GRAD(Rho)z -0.6237313E-15 Laplacian 0.3130942E-01 (-1/4)Del**2(Rho)) -0.7827356E-02 Diamond 0.7878924E-03 Metallicity 0.7162779E+00 Ellipticity -0.1455436E+01 Gb(Abramov) 0.6152664E-02 Vb(Abramov) -0.4477973E-02 Hb(Abramov) 0.1674692E-02 Ex_ueg -0.1197751E-02 Ec_ueg -0.2818361E-03 Delta_ex -0.1416907E-02 Delta_ec 0.4563786E-03 Delta_et -0.3056662E-02 Pxc 0.4249813E+01 Qxc -0.3104674E+01 3,+1 123 3 +1 0.542648 2.650428 0.782742 Rho 0.2253200E-01 |GRAD(Rho)| 0.3417776E-16 GRAD(Rho)x 0.2072262E-16 GRAD(Rho)y 0.2518081E-16 GRAD(Rho)z 0.1022837E-16 Laplacian 0.8247401E-01 (-1/4)Del**2(Rho)) -0.2061850E-01 Diamond 0.7498706E-02 Metallicity 0.1501859E+01 Ellipticity -0.2040485E+01 Gb(Abramov) 0.1890668E-01 Vb(Abramov) -0.1719486E-01 Hb(Abramov) 0.1711822E-02 Ex_ueg -0.4700219E-02 Ec_ueg -0.9652755E-03 Delta_ex -0.4758623E-02 Delta_ec 0.9873621E-03 Delta_et -0.8619303E-02 Pxc 0.4869303E+01 Qxc -0.4819531E+01 3,+1 124 3 +3 -1.608999 1.796521 0.216951 Rho 0.5596553E-02 |GRAD(Rho)| 0.4963056E-14 GRAD(Rho)x 0.4944653E-14 GRAD(Rho)y 0.1851546E-15 GRAD(Rho)z -0.3847664E-15 Laplacian 0.2261991E-01 (-1/4)Del**2(Rho)) -0.5654978E-02 Diamond 0.2382242E-03 Metallicity 0.5374318E+00 Ellipticity -0.9899510E-01 Gb(Abramov) 0.4276513E-02 Vb(Abramov) -0.2898047E-02 Hb(Abramov) 0.1378465E-02 Ex_ueg -0.7338589E-03 Ec_ueg -0.1726746E-03 Delta_ex -0.8494687E-03 Delta_ec 0.1764683E-03 Delta_et -0.1204909E-02 Pxc 0.4249954E+01 Qxc -0.4813717E+01 3,+3 125 3 +1 -2.039488 1.763412 0.216086 Rho 0.6001579E-02 |GRAD(Rho)| 0.1006974E-16 GRAD(Rho)x -0.5149960E-18 GRAD(Rho)y -0.3767603E-17 GRAD(Rho)z -0.9324139E-17 Laplacian 0.2309537E-01 (-1/4)Del**2(Rho)) -0.5773842E-02 Diamond 0.4793106E-03 Metallicity 0.5913767E+00 Ellipticity -0.1599603E+01 Gb(Abramov) 0.4418314E-02 Vb(Abramov) -0.3062786E-02 Hb(Abramov) 0.1355528E-02 Ex_ueg -0.8055128E-03 Ec_ueg -0.1902663E-03 Delta_ex -0.1037742E-02 Delta_ec 0.4553621E-03 Delta_et -0.2719346E-02 Pxc 0.4233609E+01 Qxc -0.2278937E+01 3,+1 126 3 -1 -1.423536 2.563413 -1.570317 Rho 0.2110019E+00 |GRAD(Rho)| 0.2333173E-15 GRAD(Rho)x 0.2171115E-15 GRAD(Rho)y 0.6873842E-16 GRAD(Rho)z -0.5074066E-16 Laplacian 0.8160840E+00 (-1/4)Del**2(Rho)) -0.2040210E+00 Diamond 0.2454020E+01 Metallicity 0.6314739E+01 Ellipticity 0.3110243E-01 Gb(Abramov) 0.3507372E+00 Vb(Abramov) -0.4974535E+00 Hb(Abramov) -0.1467162E+00 Ex_ueg -0.9277553E-01 Ec_ueg -0.1245763E-01 Delta_ex -0.9524839E-01 Delta_ec 0.1850571E-01 Delta_et -0.2539087E+00 Pxc 0.7447283E+01 Qxc -0.5146972E+01 3,-1 127 3 -1 0.291367 -0.352687 2.359989 Rho 0.5105514E-01 |GRAD(Rho)| 0.6542074E-15 GRAD(Rho)x 0.3780041E-15 GRAD(Rho)y 0.3101432E-16 GRAD(Rho)z 0.5330463E-15 Laplacian 0.1947114E+00 (-1/4)Del**2(Rho)) -0.4867784E-01 Diamond 0.9917902E-01 Metallicity 0.2486686E+01 Ellipticity 0.6462383E-02 Gb(Abramov) 0.5262631E-01 Vb(Abramov) -0.5657479E-01 Hb(Abramov) -0.3948474E-02 Ex_ueg -0.1398850E-01 Ec_ueg -0.2473281E-02 Delta_ex -0.1601248E-01 Delta_ec 0.5623510E-02 Delta_et -0.5956884E-01 Pxc 0.5655846E+01 Qxc -0.2847418E+01 3,-1 128 3 +1 -0.936495 -0.205988 1.487494 Rho 0.1160648E-01 |GRAD(Rho)| 0.2392729E-16 GRAD(Rho)x -0.1841619E-16 GRAD(Rho)y 0.9757820E-18 GRAD(Rho)z 0.1524490E-16 Laplacian 0.4790342E-01 (-1/4)Del**2(Rho)) -0.1197586E-01 Diamond 0.2028290E-02 Metallicity 0.8558829E+00 Ellipticity -0.1576653E+01 Gb(Abramov) 0.9692226E-02 Vb(Abramov) -0.7408595E-02 Hb(Abramov) 0.2283630E-02 Ex_ueg -0.1940823E-02 Ec_ueg -0.4414335E-03 Delta_ex -0.2392854E-02 Delta_ec 0.7267342E-03 Delta_et -0.5322911E-02 Pxc 0.4396637E+01 Qxc -0.3292612E+01 3,+1 129 3 -1 0.142505 -1.171780 -3.591020 Rho 0.1381462E+00 |GRAD(Rho)| 0.2041472E-12 GRAD(Rho)x -0.4865847E-13 GRAD(Rho)y 0.1974553E-12 GRAD(Rho)z -0.1788369E-13 Laplacian 0.5323715E+00 (-1/4)Del**2(Rho)) -0.1330929E+00 Diamond 0.9881002E+00 Metallicity 0.4778555E+01 Ellipticity 0.4228140E-01 Gb(Abramov) 0.1947272E+00 Vb(Abramov) -0.2563615E+00 Hb(Abramov) -0.6163432E-01 Ex_ueg -0.5274367E-01 Ec_ueg -0.7689074E-02 Delta_ex -0.5615297E-01 Delta_ec 0.1399818E-01 Delta_et -0.1845557E+00 Pxc 0.6859561E+01 Qxc -0.4011447E+01 3,-1 130 3 +3 1.065492 1.141637 1.574716 Rho 0.4675727E-02 |GRAD(Rho)| 0.4073641E-15 GRAD(Rho)x -0.1118623E-15 GRAD(Rho)y 0.7950426E-16 GRAD(Rho)z -0.3835511E-15 Laplacian 0.1934084E-01 (-1/4)Del**2(Rho)) -0.4835209E-02 Diamond 0.1603251E-03 Metallicity 0.4658218E+00 Ellipticity -0.3460084E+00 Gb(Abramov) 0.3598864E-02 Vb(Abramov) -0.2362518E-02 Hb(Abramov) 0.1236345E-02 Ex_ueg -0.5774538E-03 Ec_ueg -0.1329848E-03 Delta_ex -0.6935948E-03 Delta_ec 0.1524707E-03 Delta_et -0.9973730E-03 Pxc 0.4342254E+01 Qxc -0.4549036E+01 3,+3 131 3 -1 0.540546 -3.843442 2.198394 Rho 0.2229072E+00 |GRAD(Rho)| 0.4421300E-15 GRAD(Rho)x -0.3691708E-16 GRAD(Rho)y -0.3569194E-15 GRAD(Rho)z 0.2583112E-15 Laplacian 0.8347637E+00 (-1/4)Del**2(Rho)) -0.2086909E+00 Diamond 0.2698886E+01 Metallicity 0.6764823E+01 Ellipticity 0.1798159E-01 Gb(Abramov) 0.3744202E+00 Vb(Abramov) -0.5401494E+00 Hb(Abramov) -0.1657292E+00 Ex_ueg -0.9981992E-01 Ec_ueg -0.1326555E-01 Delta_ex -0.9892344E-01 Delta_ec 0.1881793E-01 Delta_et -0.2597231E+00 Pxc 0.7524750E+01 Qxc -0.5256871E+01 3,-1 132 3 -1 1.894296 3.129878 0.690523 Rho 0.1745022E+00 |GRAD(Rho)| 0.4996174E-14 GRAD(Rho)x -0.5204441E-15 GRAD(Rho)y 0.4741650E-14 GRAD(Rho)z 0.1485818E-14 Laplacian 0.6814309E+00 (-1/4)Del**2(Rho)) -0.1703577E+00 Diamond 0.1654236E+01 Metallicity 0.5510526E+01 Ellipticity 0.5063016E-01 Gb(Abramov) 0.2700319E+00 Vb(Abramov) -0.3697061E+00 Hb(Abramov) -0.9967420E-01 Ex_ueg -0.7201999E-01 Ec_ueg -0.1003005E-01 Delta_ex -0.7596525E-01 Delta_ec 0.1660998E-01 Delta_et -0.2252735E+00 Pxc 0.7180422E+01 Qxc -0.4573470E+01 3,-1 133 3 -1 1.876308 3.084286 -0.765113 Rho 0.1622855E+00 |GRAD(Rho)| 0.7679086E-12 GRAD(Rho)x 0.7065690E-12 GRAD(Rho)y 0.1693160E-12 GRAD(Rho)z -0.2485477E-12 Laplacian 0.6230100E+00 (-1/4)Del**2(Rho)) -0.1557525E+00 Diamond 0.1391924E+01 Metallicity 0.5340532E+01 Ellipticity 0.5261075E-01 Gb(Abramov) 0.2424685E+00 Vb(Abramov) -0.3291846E+00 Hb(Abramov) -0.8671604E-01 Ex_ueg -0.6537698E-01 Ec_ueg -0.9234549E-02 Delta_ex -0.6825726E-01 Delta_ec 0.1556477E-01 Delta_et -0.2095388E+00 Pxc 0.7079607E+01 Qxc -0.4385370E+01 3,-1 134 3 -1 2.613069 1.895913 0.676691 Rho 0.1300687E+00 |GRAD(Rho)| 0.4931443E-15 GRAD(Rho)x -0.3678325E-15 GRAD(Rho)y 0.1663166E-15 GRAD(Rho)z -0.2832478E-15 Laplacian 0.5369187E+00 (-1/4)Del**2(Rho)) -0.1342297E+00 Diamond 0.9212203E+00 Metallicity 0.4285412E+01 Ellipticity 0.1445934E-01 Gb(Abramov) 0.1853580E+00 Vb(Abramov) -0.2364864E+00 Hb(Abramov) -0.5112835E-01 Ex_ueg -0.4867233E-01 Ec_ueg -0.7180111E-02 Delta_ex -0.5574617E-01 Delta_ec 0.1419933E-01 Delta_et -0.1851752E+00 Pxc 0.6778771E+01 Qxc -0.3925973E+01 3,-1 135 3 -1 3.216947 3.134576 -0.037202 Rho 0.2255682E+00 |GRAD(Rho)| 0.2219401E-15 GRAD(Rho)x -0.2050226E-15 GRAD(Rho)y -0.8445935E-16 GRAD(Rho)z 0.9473216E-17 Laplacian 0.8431663E+00 (-1/4)Del**2(Rho)) -0.2107916E+00 Diamond 0.2763419E+01 Metallicity 0.6831191E+01 Ellipticity 0.2785984E-02 Gb(Abramov) 0.3805206E+00 Vb(Abramov) -0.5502497E+00 Hb(Abramov) -0.1697290E+00 Ex_ueg -0.1014119E+00 Ec_ueg -0.1344719E-01 Delta_ex -0.1002164E+00 Delta_ec 0.1892372E-01 Delta_et -0.2612649E+00 Pxc 0.7541492E+01 Qxc -0.5295810E+01 3,-1 136 3 -1 1.295914 2.104318 -0.041344 Rho 0.4972911E-01 |GRAD(Rho)| 0.6216595E-16 GRAD(Rho)x 0.5867905E-16 GRAD(Rho)y 0.1986123E-16 GRAD(Rho)z 0.5187058E-17 Laplacian 0.1926346E+00 (-1/4)Del**2(Rho)) -0.4815866E-01 Diamond 0.9545332E-01 Metallicity 0.2405636E+01 Ellipticity 0.1258226E-01 Gb(Abramov) 0.5141447E-01 Vb(Abramov) -0.5467029E-01 Hb(Abramov) -0.3255815E-02 Ex_ueg -0.1350618E-01 Ec_ueg -0.2399905E-02 Delta_ex -0.1577031E-01 Delta_ec 0.5625273E-02 Delta_et -0.5920115E-01 Pxc 0.5627798E+01 Qxc -0.2803476E+01 3,-1 137 3 -1 -0.985092 -0.240093 -3.464366 Rho 0.2257866E+00 |GRAD(Rho)| 0.1289160E-15 GRAD(Rho)x -0.1007224E-15 GRAD(Rho)y -0.4641063E-16 GRAD(Rho)z -0.6572976E-16 Laplacian 0.8733829E+00 (-1/4)Del**2(Rho)) -0.2183457E+00 Diamond 0.2842764E+01 Metallicity 0.6605497E+01 Ellipticity 0.9362013E-02 Gb(Abramov) 0.3859442E+00 Vb(Abramov) -0.5535426E+00 Hb(Abramov) -0.1675984E+00 Ex_ueg -0.1015429E+00 Ec_ueg -0.1346212E-01 Delta_ex -0.1037010E+00 Delta_ec 0.1935906E-01 Delta_et -0.2663165E+00 Pxc 0.7542857E+01 Qxc -0.5356718E+01 3,-1 138 3 -1 -0.010794 0.001857 -4.566658 Rho 0.2226469E+00 |GRAD(Rho)| 0.1124993E-15 GRAD(Rho)x 0.8995490E-17 GRAD(Rho)y 0.6587883E-16 GRAD(Rho)z -0.9074772E-16 Laplacian 0.8329523E+00 (-1/4)Del**2(Rho)) -0.2082381E+00 Diamond 0.2689452E+01 Metallicity 0.6766347E+01 Ellipticity 0.1836856E-01 Gb(Abramov) 0.3736606E+00 Vb(Abramov) -0.5390830E+00 Hb(Abramov) -0.1654225E+00 Ex_ueg -0.9966455E-01 Ec_ueg -0.1324780E-01 Delta_ex -0.9868012E-01 Delta_ec 0.1878554E-01 Delta_et -0.2592686E+00 Pxc 0.7523102E+01 Qxc -0.5252983E+01 3,-1 139 3 -1 -0.914607 -0.079516 3.147354 Rho 0.1390320E+00 |GRAD(Rho)| 0.1975995E-13 GRAD(Rho)x 0.8945698E-14 GRAD(Rho)y 0.2037008E-14 GRAD(Rho)z 0.1750088E-13 Laplacian 0.5300970E+00 (-1/4)Del**2(Rho)) -0.1325243E+00 Diamond 0.9963975E+00 Metallicity 0.4850453E+01 Ellipticity 0.9959019E-01 Gb(Abramov) 0.1954833E+00 Vb(Abramov) -0.2584423E+00 Hb(Abramov) -0.6295902E-01 Ex_ueg -0.5319506E-01 Ec_ueg -0.7745143E-02 Delta_ex -0.5605416E-01 Delta_ec 0.1401403E-01 Delta_et -0.1851459E+00 Pxc 0.6868183E+01 Qxc -0.3999859E+01 3,-1 140 3 -1 -0.775198 -0.018320 -0.026237 Rho 0.1340771E+00 |GRAD(Rho)| 0.2940268E-15 GRAD(Rho)x 0.2934442E-15 GRAD(Rho)y 0.3638325E-17 GRAD(Rho)z -0.1814001E-16 Laplacian 0.6570194E+00 (-1/4)Del**2(Rho)) -0.1642548E+00 Diamond 0.1403812E+01 Metallicity 0.3683773E+01 Ellipticity 0.7565904E-01 Gb(Abramov) 0.2103495E+00 Vb(Abramov) -0.2564441E+00 Hb(Abramov) -0.4609463E-01 Ex_ueg -0.5068249E-01 Ec_ueg -0.7432151E-02 Delta_ex -0.7143189E-01 Delta_ec 0.2209686E-01 Delta_et -0.2989860E+00 Pxc 0.6819358E+01 Qxc -0.3232671E+01 3,-1 141 3 -1 0.082037 -1.055905 3.500563 Rho 0.1433805E+00 |GRAD(Rho)| 0.2370898E-13 GRAD(Rho)x -0.1931993E-13 GRAD(Rho)y 0.1235622E-13 GRAD(Rho)z -0.6014986E-14 Laplacian 0.5609550E+00 (-1/4)Del**2(Rho)) -0.1402387E+00 Diamond 0.1078810E+01 Metallicity 0.4825054E+01 Ellipticity 0.5385462E-01 Gb(Abramov) 0.2062691E+00 Vb(Abramov) -0.2722994E+00 Hb(Abramov) -0.6603034E-01 Ex_ueg -0.5542495E-01 Ec_ueg -0.8021129E-02 Delta_ex -0.5959998E-01 Delta_ec 0.1443030E-01 Delta_et -0.1909427E+00 Pxc 0.6909870E+01 Qxc -0.4130198E+01 3,-1 142 3 -1 0.232217 -0.427880 -2.473654 Rho 0.5330954E-01 |GRAD(Rho)| 0.3109115E-14 GRAD(Rho)x -0.1660807E-14 GRAD(Rho)y -0.5409747E-15 GRAD(Rho)z 0.2572093E-14 Laplacian 0.2023501E+00 (-1/4)Del**2(Rho)) -0.5058752E-01 Diamond 0.1103439E+00 Metallicity 0.2571489E+01 Ellipticity 0.8700080E-02 Gb(Abramov) 0.5540589E-01 Vb(Abramov) -0.6022426E-01 Hb(Abramov) -0.4818368E-02 Ex_ueg -0.1481807E-01 Ec_ueg -0.2598613E-02 Delta_ex -0.1686536E-01 Delta_ec 0.5915294E-02 Delta_et -0.6338484E-01 Pxc 0.5702299E+01 Qxc -0.2851146E+01 3,-1 143 3 -1 0.050311 0.684460 -0.061875 Rho 0.1380626E+00 |GRAD(Rho)| 0.3320385E-15 GRAD(Rho)x -0.1000311E-16 GRAD(Rho)y -0.3318853E-15 GRAD(Rho)z -0.1279999E-17 Laplacian 0.7229743E+00 (-1/4)Del**2(Rho)) -0.1807436E+00 Diamond 0.1592249E+01 Metallicity 0.3515205E+01 Ellipticity 0.2617486E-02 Gb(Abramov) 0.2263875E+00 Vb(Abramov) -0.2720314E+00 Hb(Abramov) -0.4564392E-01 Ex_ueg -0.5270114E-01 Ec_ueg -0.7683787E-02 Delta_ex -0.7904260E-01 Delta_ec 0.2400575E-01 Delta_et -0.3265031E+00 Pxc 0.6858745E+01 Qxc -0.3292653E+01 3,-1 144 3 -1 3.932078 -0.607612 -2.271003 Rho 0.2272564E+00 |GRAD(Rho)| 0.6100466E-14 GRAD(Rho)x -0.2447586E-14 GRAD(Rho)y -0.5036651E-14 GRAD(Rho)z -0.2420156E-14 Laplacian 0.8263914E+00 (-1/4)Del**2(Rho)) -0.2065978E+00 Diamond 0.2747304E+01 Metallicity 0.7057015E+01 Ellipticity 0.3555057E-02 Gb(Abramov) 0.3807259E+00 Vb(Abramov) -0.5548540E+00 Hb(Abramov) -0.1741281E+00 Ex_ueg -0.1024252E+00 Ec_ueg -0.1356264E-01 Delta_ex -0.9849563E-01 Delta_ec 0.1865508E-01 Delta_et -0.2582588E+00 Pxc 0.7552009E+01 Qxc -0.5279828E+01 3,-1 145 3 -1 3.858566 -0.616974 2.190605 Rho 0.2290315E+00 |GRAD(Rho)| 0.3622075E-13 GRAD(Rho)x 0.2065915E-13 GRAD(Rho)y 0.2336182E-13 GRAD(Rho)z 0.1842195E-13 Laplacian 0.8377452E+00 (-1/4)Del**2(Rho)) -0.2094363E+00 Diamond 0.2807777E+01 Metallicity 0.7052231E+01 Ellipticity 0.4646000E-02 Gb(Abramov) 0.3857897E+00 Vb(Abramov) -0.5621431E+00 Hb(Abramov) -0.1763534E+00 Ex_ueg -0.1034932E+00 Ec_ueg -0.1368419E-01 Delta_ex -0.1000310E+00 Delta_ec 0.1883390E-01 Delta_et -0.2606903E+00 Pxc 0.7562980E+01 Qxc -0.5311219E+01 3,-1 146 3 -1 -2.076026 1.226742 -0.790648 Rho 0.3816084E-01 |GRAD(Rho)| 0.2015975E-15 GRAD(Rho)x -0.4981677E-16 GRAD(Rho)y -0.3800557E-16 GRAD(Rho)z -0.1916127E-15 Laplacian 0.1108016E+00 (-1/4)Del**2(Rho)) -0.2770041E-01 Diamond 0.5821385E-01 Metallicity 0.2690070E+01 Ellipticity 0.3460006E-01 Gb(Abramov) 0.3088628E-01 Vb(Abramov) -0.3407215E-01 Hb(Abramov) -0.3185870E-02 Ex_ueg -0.9488750E-02 Ec_ueg -0.1771745E-02 Delta_ex -0.9719719E-02 Delta_ec 0.5438552E-02 Delta_et -0.5354524E-01 Pxc 0.5355596E+01 Qxc -0.1787189E+01 3,-1 147 3 -1 -0.676292 3.560623 -0.818134 Rho 0.1309667E+00 |GRAD(Rho)| 0.1180321E-15 GRAD(Rho)x -0.3218217E-16 GRAD(Rho)y 0.6229419E-16 GRAD(Rho)z -0.9494901E-16 Laplacian 0.5098916E+00 (-1/4)Del**2(Rho)) -0.1274729E+00 Diamond 0.8852516E+00 Metallicity 0.4564610E+01 Ellipticity 0.4298194E-01 Gb(Abramov) 0.1819593E+00 Vb(Abramov) -0.2364457E+00 Hb(Abramov) -0.5448638E-01 Ex_ueg -0.4912091E-01 Ec_ueg -0.7236486E-02 Delta_ex -0.5306534E-01 Delta_ec 0.1352940E-01 Delta_et -0.1767620E+00 Pxc 0.6787951E+01 Qxc -0.3922225E+01 3,-1 148 3 -1 -0.689219 3.650893 0.770098 Rho 0.1324291E+00 |GRAD(Rho)| 0.2860568E-14 GRAD(Rho)x -0.1024472E-14 GRAD(Rho)y 0.1015904E-14 GRAD(Rho)z -0.2470070E-14 Laplacian 0.4999734E+00 (-1/4)Del**2(Rho)) -0.1249933E+00 Diamond 0.8740186E+00 Metallicity 0.4742116E+01 Ellipticity 0.4441291E-01 Gb(Abramov) 0.1821177E+00 Vb(Abramov) -0.2392421E+00 Hb(Abramov) -0.5712439E-01 Ex_ueg -0.4985360E-01 Ec_ueg -0.7328402E-02 Delta_ex -0.5210580E-01 Delta_ec 0.1311204E-01 Delta_et -0.1713935E+00 Pxc 0.6802792E+01 Qxc -0.3973890E+01 3,-1 149 3 -1 -0.768240 3.716467 -2.317456 Rho 0.2230012E+00 |GRAD(Rho)| 0.7058433E-15 GRAD(Rho)x 0.1149525E-15 GRAD(Rho)y -0.5598820E-15 GRAD(Rho)z 0.4141652E-15 Laplacian 0.8495319E+00 (-1/4)Del**2(Rho)) -0.2123830E+00 Diamond 0.2736054E+01 Metallicity 0.6651896E+01 Ellipticity 0.1110267E-01 Gb(Abramov) 0.3770469E+00 Vb(Abramov) -0.5417108E+00 Hb(Abramov) -0.1646639E+00 Ex_ueg -0.9987603E-01 Ec_ueg -0.1327195E-01 Delta_ex -0.1006142E+00 Delta_ec 0.1902305E-01 Delta_et -0.2620550E+00 Pxc 0.7525345E+01 Qxc -0.5289070E+01 3,-1 150 3 -1 -0.691239 3.944997 2.287177 Rho 0.2140336E+00 |GRAD(Rho)| 0.1187991E-13 GRAD(Rho)x 0.2507129E-14 GRAD(Rho)y -0.8732977E-14 GRAD(Rho)z -0.7653871E-14 Laplacian 0.7802966E+00 (-1/4)Del**2(Rho)) -0.1950741E+00 Diamond 0.2417145E+01 Metallicity 0.6763271E+01 Ellipticity 0.1375226E-01 Gb(Abramov) 0.3499393E+00 Vb(Abramov) -0.5048044E+00 Hb(Abramov) -0.1548652E+00 Ex_ueg -0.9455715E-01 Ec_ueg -0.1266263E-01 Delta_ex -0.9159416E-01 Delta_ec 0.1795670E-01 Delta_et -0.2478745E+00 Pxc 0.7467417E+01 Qxc -0.5100835E+01 3,-1 151 3 -1 0.012193 0.808880 -3.253652 Rho 0.1393752E+00 |GRAD(Rho)| 0.4789775E-15 GRAD(Rho)x 0.3591081E-16 GRAD(Rho)y 0.4774013E-15 GRAD(Rho)z -0.1475870E-16 Laplacian 0.5746643E+00 (-1/4)Del**2(Rho)) -0.1436661E+00 Diamond 0.1073102E+01 Metallicity 0.4492709E+01 Ellipticity 0.2883647E-02 Gb(Abramov) 0.2033524E+00 Vb(Abramov) -0.2630387E+00 Hb(Abramov) -0.5968629E-01 Ex_ueg -0.5337025E-01 Ec_ueg -0.7766885E-02 Delta_ex -0.6069031E-01 Delta_ec 0.1498176E-01 Delta_et -0.1975996E+00 Pxc 0.6871513E+01 Qxc -0.4050946E+01 3,-1 152 3 -1 0.051960 0.942036 3.165129 Rho 0.1427316E+00 |GRAD(Rho)| 0.1507444E-13 GRAD(Rho)x 0.2322113E-14 GRAD(Rho)y 0.4107934E-14 GRAD(Rho)z -0.1431682E-13 Laplacian 0.5956038E+00 (-1/4)Del**2(Rho)) -0.1489010E+00 Diamond 0.1132855E+01 Metallicity 0.4510130E+01 Ellipticity 0.1442191E-01 Gb(Abramov) 0.2111944E+00 Vb(Abramov) -0.2734879E+00 Hb(Abramov) -0.6229346E-01 Ex_ueg -0.5509072E-01 Ec_ueg -0.7979865E-02 Delta_ex -0.6314353E-01 Delta_ec 0.1521767E-01 Delta_et -0.2009677E+00 Pxc 0.6903715E+01 Qxc -0.4149355E+01 3,-1 153 3 -1 1.442445 1.433954 -2.067566 Rho 0.5256668E-02 |GRAD(Rho)| 0.1623665E-15 GRAD(Rho)x 0.2894703E-16 GRAD(Rho)y 0.1236332E-15 GRAD(Rho)z 0.1011918E-15 Laplacian 0.2131826E-01 (-1/4)Del**2(Rho)) -0.5329564E-02 Diamond 0.5886564E-03 Metallicity 0.5137033E+00 Ellipticity 0.1074101E+02 Gb(Abramov) 0.4009345E-02 Vb(Abramov) -0.2689126E-02 Hb(Abramov) 0.1320219E-02 Ex_ueg -0.6750445E-03 Ec_ueg -0.1579749E-03 Delta_ex -0.1119673E-02 Delta_ec 0.7595396E-03 Delta_et -0.4151917E-02 Pxc 0.4273112E+01 Qxc -0.1474146E+01 3,-1 154 3 -1 -0.115947 0.108694 4.439805 Rho 0.2318245E+00 |GRAD(Rho)| 0.1428768E-13 GRAD(Rho)x -0.1362991E-14 GRAD(Rho)y 0.1308642E-13 GRAD(Rho)z 0.5570089E-14 Laplacian 0.8713163E+00 (-1/4)Del**2(Rho)) -0.2178291E+00 Diamond 0.2942795E+01 Metallicity 0.6918888E+01 Ellipticity 0.5197551E-02 Gb(Abramov) 0.3964085E+00 Vb(Abramov) -0.5749880E+00 Hb(Abramov) -0.1785795E+00 Ex_ueg -0.1051794E+00 Ec_ueg -0.1387580E-01 Delta_ex -0.1042540E+00 Delta_ec 0.1931677E-01 Delta_et -0.2666697E+00 Pxc 0.7580065E+01 Qxc -0.5397071E+01 3,-1 155 3 -1 0.159412 -0.289100 -0.619314 Rho 0.1388409E+00 |GRAD(Rho)| 0.2787320E-14 GRAD(Rho)x -0.1393114E-14 GRAD(Rho)y 0.1213235E-14 GRAD(Rho)z 0.2087211E-14 Laplacian 0.7273724E+00 (-1/4)Del**2(Rho)) -0.1818431E+00 Diamond 0.1610867E+01 Metallicity 0.3526837E+01 Ellipticity 0.1356378E-01 Gb(Abramov) 0.2281172E+00 Vb(Abramov) -0.2743914E+00 Hb(Abramov) -0.4627414E-01 Ex_ueg -0.5309761E-01 Ec_ueg -0.7733044E-02 Delta_ex -0.7960471E-01 Delta_ec 0.2408424E-01 Delta_et -0.3278779E+00 Pxc 0.6866327E+01 Qxc -0.3305262E+01 3,-1 156 3 -1 0.171442 -0.279291 0.499768 Rho 0.1392016E+00 |GRAD(Rho)| 0.5739251E-14 GRAD(Rho)x 0.2511328E-14 GRAD(Rho)y -0.2052247E-14 GRAD(Rho)z 0.4735031E-14 Laplacian 0.7329565E+00 (-1/4)Del**2(Rho)) -0.1832391E+00 Diamond 0.1642227E+01 Metallicity 0.3515134E+01 Ellipticity 0.5966652E-02 Gb(Abramov) 0.2295111E+00 Vb(Abramov) -0.2757830E+00 Hb(Abramov) -0.4627196E-01 Ex_ueg -0.5328160E-01 Ec_ueg -0.7755884E-02 Delta_ex -0.8041685E-01 Delta_ec 0.2452899E-01 Delta_et -0.3345468E+00 Pxc 0.6869829E+01 Qxc -0.3278441E+01 3,-1 157 3 -1 -1.872608 -0.065187 2.107260 Rho 0.3198775E+00 |GRAD(Rho)| 0.6813454E-15 GRAD(Rho)x -0.1853727E-15 GRAD(Rho)y 0.1428807E-16 GRAD(Rho)z -0.6554879E-15 Laplacian -0.1645792E+01 (-1/4)Del**2(Rho)) 0.4114480E+00 Diamond 0.5735649E+01 Metallicity -0.6264373E+01 Ellipticity 0.1930501E-02 Gb(Abramov) 0.1552786E+00 Vb(Abramov) -0.7220053E+00 Hb(Abramov) -0.5667266E+00 Ex_ueg -0.1615709E+00 Ec_ueg -0.2013599E-01 Delta_ex 0.1639170E+00 Delta_ec 0.5733280E-01 Delta_et -0.1361061E+01 Pxc 0.8023989E+01 Qxc 0.2859044E+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 68 120 92 52 48 94 65 138 117 114 118 148 63 150 98 108 112 109 78 145 142 151 137 100 129 135 136 75 134 133 132 154 127 139 152 141 101 66 50 93 95 69 131 113 111 107 110 106 144 116 115 126 149 59 147 155 83 140 81 82 143 156 54 153 84 157 79 146 64 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 15 16 17 18 19 19 21 21 25 13 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1.765895 2.181377 1.958689 1.766548 2.380644 1.971693 1.971508 1.896796 1.866940 1.755570 2.374415 1.961796 1.933693 1.944039 1.904538 2.354163 1.766458 1.934451 1.987444 2.139188 1.771329 2.576501 1.928593 2.052313 1.848444 1.868186 1.764259 2.296992 1.948554 1.792924 1.770653 2.094883 1.979564 1.654187 3.108041 1.676257 1.860169 1.005071 1.656475 1.652629 3.114837 3.294429 2.973395 0.995091 3.151494 1.782803 3.221665 27 23 24 25 23 23 22 29 24 26 23 30 23 29 22 23 23 25 24 27 23 23 27 24 21 27 25 23 23 22 24 27 23 23 25 25 27 22 23 23 25 22 29 23 24 23 23 23 27 25 25 22 29 25 21 33 21 29 19 21 21 33 35 33 21 33 24 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 W O Mo W W W W O O 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 Si O O O O O O O O H H 2.3309 -0.8870 2.1518 2.3926 2.3233 2.4098 2.4108 -0.8789 -0.8482 2.3430 2.3584 2.3220 -1.1464 -0.8572 -1.1489 -1.1615 -0.8333 -0.9895 -0.8172 -0.9813 -0.8770 -0.9671 -0.7640 -0.9948 -0.9531 -0.8370 -0.9748 -0.8393 -0.9744 -0.8804 -0.9938 -0.9979 -0.9882 -0.9714 -0.9902 2.2463 -0.8860 -0.9874 -1.0154 -0.9665 -0.8861 -0.8792 -0.8102 -0.8684 0.2726 0.2906 2.1386 1.9494 2.0090 2.1111 2.1413 2.1051 2.1155 1.9493 1.9548 2.1318 2.1205 2.1391 1.8966 1.8653 1.8965 1.8969 1.9555 1.9276 1.8704 1.9272 1.9524 1.9315 1.9658 1.9285 1.9302 1.9542 1.9282 1.9541 1.9395 1.9497 1.9381 1.9349 1.9377 1.9378 1.9384 2.3381 1.9494 1.9370 1.9350 1.9391 1.9494 1.9515 1.9608 1.9530 0.5789 0.5626 6.1181 4.9074 6.1305 6.1057 6.1190 6.0979 6.1064 4.8987 4.8610 6.1139 6.1134 6.1250 5.2223 4.9581 5.2230 5.2361 4.8462 5.0334 4.9177 5.0258 4.8934 5.0057 4.7691 5.0372 4.9966 4.8514 5.0180 4.8537 5.0051 4.9004 5.0269 5.0323 5.0217 5.0048 5.0233 6.8356 4.9064 5.0197 5.0493 4.9997 4.9065 4.8964 4.8211 4.8838 0.1485 0.1468 3.3833 0.0302 3.7087 3.3608 3.3873 3.3570 3.3377 0.0309 0.0324 3.3820 3.3781 3.3844 0.0276 0.0339 0.0294 0.0285 0.0316 0.0286 0.0292 0.0284 0.0312 0.0299 0.0291 0.0290 0.0263 0.0314 0.0286 0.0314 0.0299 0.0303 0.0288 0.0306 0.0287 0.0289 0.0285 0.5801 0.0302 0.0306 0.0311 0.0276 0.0302 0.0313 0.0283 0.0317 0.0000 0.0000 14.0292 0.0000 0.0000 14.0298 14.0291 14.0302 14.0296 0.0000 0.0000 14.0292 14.0296 14.0296 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 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 W O Mo W W W W O O 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 Si O O O O O O O O H H 2.476838 -0.945507 3.136058 2.489920 2.473530 2.500927 2.507287 -0.936687 -0.894837 2.474932 2.481330 2.479695 -1.054122 -0.574599 -1.086164 -1.050500 -0.895803 -1.001281 -0.654196 -1.003810 -0.860635 -0.988689 -1.040204 -0.999755 -1.107694 -0.903950 -0.998757 -0.903343 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