ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 03:42:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.04 0.40 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 May05-2024 03:42:29 Nodes: 1 Procs: 1 May05-2024 03:42:29 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 03:42:30 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 May05-2024 03:42:29 Nodes: 1 Procs: 1 May05-2024 03:42:29 Nodes: 1 Procs: 1 0 May05-2024 03:42:30 Nodes: 1 Procs: 1 May05-2024 03:42:30 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 03:42:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.02 0.95 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 May05-2024 03:42:29 Nodes: 1 Procs: 1 May05-2024 03:42:29 Nodes: 1 Procs: 1 0 May05-2024 03:42:30 Nodes: 1 Procs: 1 May05-2024 03:42:30 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May05-2024 03:42:31 Nodes: 1 Procs: 1 May05-2024 03:42:31 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 03:42:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 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 May05-2024 03:42:29 Nodes: 1 Procs: 1 May05-2024 03:42:29 Nodes: 1 Procs: 1 0 May05-2024 03:42:30 Nodes: 1 Procs: 1 May05-2024 03:42:30 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May05-2024 03:42:31 Nodes: 1 Procs: 1 May05-2024 03:42:31 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May05-2024 03:42:32 Nodes: 1 Procs: 1 May05-2024 03:42:33 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 03:42:33 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.02 1.41 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 May05-2024 03:42:29 Nodes: 1 Procs: 1 May05-2024 03:42:29 Nodes: 1 Procs: 1 0 May05-2024 03:42:30 Nodes: 1 Procs: 1 May05-2024 03:42:30 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May05-2024 03:42:31 Nodes: 1 Procs: 1 May05-2024 03:42:31 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May05-2024 03:42:32 Nodes: 1 Procs: 1 May05-2024 03:42:33 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May05-2024 03:42:33 Nodes: 1 Procs: 1 May05-2024 03:42:34 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May05-2024 03:42:37 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2325.590361000001 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3.749504 0.207757 -3.755760 3.722737 -0.177070 -3.824924 -3.678430 0.221116 -3.799619 0.321498 -3.696156 -3.737057 -0.171897 3.807834 3.750593 0.151627 3.769836 -1.533803 -2.339026 -2.895711 -0.542538 -3.343854 -1.280397 1.145292 -1.980925 -2.412863 1 3 -3 0.074512 -2.566166 2.531391 Rho 0.1240649E+06 3,-3 2 3 -3 -0.059126 2.540618 2.574001 Rho 0.1240649E+06 3,-3 3 3 -3 2.577511 -0.172368 2.552520 Rho 0.1240650E+06 3,-3 4 3 -3 2.610413 0.073183 -2.580769 Rho 0.1240649E+06 3,-3 5 3 -3 -0.069975 -0.024955 -0.012922 Rho 0.2439523E+04 3,-3 6 3 -3 0.097439 2.485749 -2.518619 Rho 0.4361414E+07 3,-3 7 3 -3 2.455113 -2.589541 -0.014454 Rho 0.4361415E+07 3,-3 8 3 -3 2.536821 2.527618 -0.074981 Rho 0.4361414E+07 3,-3 9 3 -3 -2.551724 2.521359 0.142389 Rho 0.4361414E+07 3,-3 10 3 -3 -2.610713 -2.486655 -0.096837 Rho 0.4361414E+07 3,-3 11 3 -3 -2.572494 -0.096841 -2.550127 Rho 0.4361414E+07 3,-3 12 3 -3 -2.530556 0.113966 2.600566 Rho 0.4361414E+07 3,-3 13 3 -3 0.859199 -0.935199 0.850065 Rho 0.3187860E+03 3,-3 14 3 -3 -1.028165 -0.868562 -0.882311 Rho 0.3187765E+03 3,-3 15 3 -3 0.837052 0.885624 -0.906185 Rho 0.3187754E+03 3,-3 16 3 -3 -0.912392 0.892764 0.945958 Rho 0.3187720E+03 3,-3 17 3 -3 -3.039237 -1.158219 1.222837 Rho 0.3188805E+03 3,-3 18 3 -3 3.079373 -1.157403 -1.135308 Rho 0.3189252E+03 3,-3 19 3 -3 -3.025231 1.137151 -1.132853 Rho 0.3188798E+03 3,-3 20 3 -3 2.994092 1.200282 1.208498 Rho 0.3189340E+03 3,-3 21 3 -3 1.370100 -1.276482 -3.104977 Rho 0.3188350E+03 3,-3 22 3 -3 1.157737 1.203235 3.033967 Rho 0.3190539E+03 3,-3 23 3 -3 -1.167393 1.094593 -3.040422 Rho 0.3188738E+03 3,-3 24 3 -3 -1.184285 -1.145805 3.064025 Rho 0.3189456E+03 3,-3 25 3 -3 -1.185073 2.968136 -1.185500 Rho 0.3188728E+03 3,-3 26 3 -3 -1.203448 -3.000699 1.191784 Rho 0.3189601E+03 3,-3 27 3 -3 1.135558 3.058514 1.142273 Rho 0.3189474E+03 3,-3 28 3 -3 1.180402 -3.076464 -1.191077 Rho 0.3191434E+03 3,-3 29 3 -3 3.368340 -1.491401 1.524828 Rho 0.3191225E+03 3,-3 30 3 -3 -3.479155 -1.497982 -1.465484 Rho 0.3189642E+03 3,-3 31 3 -3 3.382962 1.494861 -1.453185 Rho 0.3190279E+03 3,-3 32 3 -3 -3.415893 1.489139 1.523012 Rho 0.3189647E+03 3,-3 33 3 -3 1.447697 -1.458062 3.416745 Rho 0.3190908E+03 3,-3 34 3 -3 1.510078 1.440611 -3.388107 Rho 0.3190305E+03 3,-3 35 3 -3 -1.530712 1.542317 3.416798 Rho 0.3190222E+03 3,-3 36 3 -3 -1.807080 -1.589876 -3.493224 Rho 0.3187441E+03 3,-3 37 3 -3 -1.530365 -3.462208 -1.409549 Rho 0.3187236E+03 3,-3 38 3 -3 -1.514817 3.386219 1.485707 Rho 0.3190299E+03 3,-3 39 3 -3 1.505817 -3.370873 1.534951 Rho 0.3190326E+03 3,-3 40 3 -3 1.492120 3.352860 -1.516685 Rho 0.3189698E+03 3,-3 41 3 -3 -0.214364 -3.752186 3.743490 Rho 0.3195098E+03 3,-3 42 3 -3 3.873044 -0.114904 -3.734448 Rho 0.3194981E+03 3,-3 43 3 -3 -0.192680 3.671071 -3.744643 Rho 0.3193726E+03 3,-3 44 3 -3 0.216462 3.767429 3.750214 Rho 0.3194999E+03 3,-3 45 3 -3 3.708774 -3.776680 -0.215396 Rho 0.3193297E+03 3,-3 46 3 -3 3.728278 3.749504 0.207757 Rho 0.3193674E+03 3,-3 47 3 -3 -3.755760 3.722737 -0.177070 Rho 0.3193641E+03 3,-3 48 3 -3 -3.824924 -3.678430 0.221116 Rho 0.3193629E+03 3,-3 49 3 -3 -3.799619 0.321498 -3.696156 Rho 0.3193612E+03 3,-3 50 3 -3 -3.737057 -0.171897 3.807834 Rho 0.3193653E+03 3,-3 51 3 -3 3.750593 0.151627 3.769836 Rho 0.3195018E+03 3,-3 52 3 -3 -1.533803 -2.339026 -2.895711 Rho 0.4417143E+00 3,-3 53 3 -3 -0.542538 -3.343854 -1.280397 Rho 0.4331455E+00 3,-3 54 3 -3 1.145292 -1.980925 -2.412863 Rho 0.4248236E+00 3,-3 55 3 -1 -3.034974 -0.838041 -1.963060 Rho 0.1272354E+00 |GRAD(Rho)| 0.1952919E-15 GRAD(Rho)x -0.2855517E-16 GRAD(Rho)y 0.1528996E-15 GRAD(Rho)z -0.1180899E-15 Laplacian 0.4935251E+00 (-1/4)Del**2(Rho)) -0.1233813E+00 Diamond 0.8321462E+00 Metallicity 0.4494183E+01 Ellipticity 0.1632251E-02 Gb(Abramov) 0.1746705E+00 Vb(Abramov) -0.2259598E+00 Hb(Abramov) -0.5128925E-01 Ex_ueg -0.4726386E-01 Ec_ueg -0.7002605E-02 Delta_ex -0.5106320E-01 Delta_ec 0.1328617E-01 Delta_et -0.1729343E+00 Pxc 0.6749469E+01 Qxc -0.3843335E+01 3,-1 56 3 +3 -0.046483 2.336903 0.035605 Rho 0.4459408E-02 |GRAD(Rho)| 0.7973785E-17 GRAD(Rho)x 0.1832024E-17 GRAD(Rho)y -0.6227278E-17 GRAD(Rho)z 0.4630975E-17 Laplacian 0.1853630E-01 (-1/4)Del**2(Rho)) -0.4634075E-02 Diamond 0.1626817E-03 Metallicity 0.4491438E+00 Ellipticity -0.3152535E+00 Gb(Abramov) 0.3436278E-02 Vb(Abramov) -0.2238481E-02 Hb(Abramov) 0.1197797E-02 Ex_ueg -0.5421108E-03 Ec_ueg -0.1237236E-03 Delta_ex -0.6767077E-03 Delta_ec 0.1820640E-03 Delta_et -0.1119488E-02 Pxc 0.4381627E+01 Qxc -0.3716867E+01 3,+3 57 3 -1 -3.236613 0.128887 -3.170203 Rho 0.2484999E+00 |GRAD(Rho)| 0.5288437E-15 GRAD(Rho)x -0.4942878E-15 GRAD(Rho)y 0.6480818E-16 GRAD(Rho)z 0.1765081E-15 Laplacian 0.9103949E+00 (-1/4)Del**2(Rho)) -0.2275987E+00 Diamond 0.3341494E+01 Metallicity 0.7434646E+01 Ellipticity 0.3654726E-02 Gb(Abramov) 0.4337518E+00 Vb(Abramov) -0.6399049E+00 Hb(Abramov) -0.2061531E+00 Ex_ueg -0.1153860E+00 Ec_ueg -0.1502866E-01 Delta_ex -0.1109189E+00 Delta_ec 0.1975731E-01 Delta_et -0.2732789E+00 Pxc 0.7677732E+01 Qxc -0.5614071E+01 3,-1 58 3 +1 -2.927811 0.083856 0.137049 Rho 0.5212060E-02 |GRAD(Rho)| 0.1223048E-17 GRAD(Rho)x -0.1161556E-17 GRAD(Rho)y -0.3230376E-18 GRAD(Rho)z -0.2056258E-18 Laplacian 0.2147852E-01 (-1/4)Del**2(Rho)) -0.5369630E-02 Diamond 0.5472107E-03 Metallicity 0.5026795E+00 Ellipticity -0.4419172E+01 Gb(Abramov) 0.4029620E-02 Vb(Abramov) -0.2689611E-02 Hb(Abramov) 0.1340009E-02 Ex_ueg -0.6674175E-03 Ec_ueg -0.1560500E-03 Delta_ex -0.1091939E-02 Delta_ec 0.7038900E-03 Delta_et -0.3859592E-02 Pxc 0.4276947E+01 Qxc -0.1551292E+01 3,+1 59 3 -1 -3.183564 -0.040235 3.253956 Rho 0.2484988E+00 |GRAD(Rho)| 0.4886561E-15 GRAD(Rho)x -0.3201649E-15 GRAD(Rho)y -0.7700546E-16 GRAD(Rho)z 0.3610393E-15 Laplacian 0.9029261E+00 (-1/4)Del**2(Rho)) -0.2257315E+00 Diamond 0.3322652E+01 Metallicity 0.7496092E+01 Ellipticity 0.1499384E-02 Gb(Abramov) 0.4325050E+00 Vb(Abramov) -0.6392785E+00 Hb(Abramov) -0.2067735E+00 Ex_ueg -0.1153854E+00 Ec_ueg -0.1502859E-01 Delta_ex -0.1100525E+00 Delta_ec 0.1967316E-01 Delta_et -0.2724773E+00 Pxc 0.7677726E+01 Qxc -0.5594040E+01 3,-1 60 3 +1 -1.725767 0.585275 -0.455358 Rho 0.9744320E-02 |GRAD(Rho)| 0.1495688E-15 GRAD(Rho)x -0.4699247E-16 GRAD(Rho)y -0.6592009E-16 GRAD(Rho)z -0.1257659E-15 Laplacian 0.4121105E-01 (-1/4)Del**2(Rho)) -0.1030276E-01 Diamond 0.1354649E-02 Metallicity 0.7433363E+00 Ellipticity -0.1445286E+01 Gb(Abramov) 0.8144911E-02 Vb(Abramov) -0.5987060E-02 Hb(Abramov) 0.2157851E-02 Ex_ueg -0.1537165E-02 Ec_ueg -0.3564666E-03 Delta_ex -0.1961404E-02 Delta_ec 0.6118420E-03 Delta_et -0.4292971E-02 Pxc 0.4312226E+01 Qxc -0.3205736E+01 3,+1 61 3 +1 -1.763206 1.699451 -1.769693 Rho 0.1219238E-01 |GRAD(Rho)| 0.1277085E-14 GRAD(Rho)x 0.6678294E-15 GRAD(Rho)y -0.1079312E-14 GRAD(Rho)z -0.1415492E-15 Laplacian 0.6088053E-01 (-1/4)Del**2(Rho)) -0.1522013E-01 Diamond 0.2474134E-02 Metallicity 0.7310534E+00 Ellipticity -0.1251484E+01 Gb(Abramov) 0.1200121E-01 Vb(Abramov) -0.8782287E-02 Hb(Abramov) 0.3218923E-02 Ex_ueg -0.2072541E-02 Ec_ueg -0.4684574E-03 Delta_ex -0.2999715E-02 Delta_ec 0.7805505E-03 Delta_et -0.5882997E-02 Pxc 0.4424184E+01 Qxc -0.3843076E+01 3,+1 62 3 -1 -1.698451 1.671421 0.532881 Rho 0.4214056E-01 |GRAD(Rho)| 0.9354075E-16 GRAD(Rho)x 0.3792908E-16 GRAD(Rho)y -0.7481016E-16 GRAD(Rho)z 0.4140890E-16 Laplacian 0.1647314E+00 (-1/4)Del**2(Rho)) -0.4118286E-01 Diamond 0.6490547E-01 Metallicity 0.2134702E+01 Ellipticity 0.1649369E-01 Gb(Abramov) 0.4210743E-01 Vb(Abramov) -0.4303199E-01 Hb(Abramov) -0.9245676E-03 Ex_ueg -0.1083059E-01 Ec_ueg -0.1985276E-02 Delta_ex -0.1292227E-01 Delta_ec 0.4790813E-02 Delta_et -0.4826535E-01 Pxc 0.5455458E+01 Qxc -0.2697302E+01 3,-1 63 3 +1 -2.136431 1.158978 1.239990 Rho 0.2572130E-01 |GRAD(Rho)| 0.4698462E-16 GRAD(Rho)x -0.3775026E-16 GRAD(Rho)y 0.5608480E-17 GRAD(Rho)z 0.2740470E-16 Laplacian 0.1014202E+00 (-1/4)Del**2(Rho)) -0.2535505E-01 Diamond 0.1442117E-01 Metallicity 0.1522802E+01 Ellipticity -0.5027065E+01 Gb(Abramov) 0.2333849E-01 Vb(Abramov) -0.2132192E-01 Hb(Abramov) 0.2016563E-02 Ex_ueg -0.5607580E-02 Ec_ueg -0.1125098E-02 Delta_ex -0.6421473E-02 Delta_ec 0.1838037E-02 Delta_et -0.1631295E-01 Pxc 0.4984080E+01 Qxc -0.3493659E+01 3,+1 64 3 +1 -2.006019 2.008525 2.021092 Rho 0.1247790E-01 |GRAD(Rho)| 0.5729544E-14 GRAD(Rho)x 0.3524342E-14 GRAD(Rho)y -0.3743167E-14 GRAD(Rho)z -0.2528912E-14 Laplacian 0.5846333E-01 (-1/4)Del**2(Rho)) -0.1461583E-01 Diamond 0.2028700E-02 Metallicity 0.7912225E+00 Ellipticity -0.1161680E+01 Gb(Abramov) 0.1167129E-01 Vb(Abramov) -0.8726737E-02 Hb(Abramov) 0.2944549E-02 Ex_ueg -0.2137504E-02 Ec_ueg -0.4816751E-03 Delta_ex -0.2782049E-02 Delta_ec 0.5419567E-03 Delta_et -0.4265832E-02 Pxc 0.4437647E+01 Qxc -0.5133342E+01 3,+1 65 3 +3 -1.849616 1.857831 1.879061 Rho 0.1225371E-01 |GRAD(Rho)| 0.4854886E-13 GRAD(Rho)x -0.8901269E-14 GRAD(Rho)y -0.4754924E-13 GRAD(Rho)z 0.4102244E-14 Laplacian 0.5576967E-01 (-1/4)Del**2(Rho)) -0.1394242E-01 Diamond 0.1263316E-02 Metallicity 0.8047505E+00 Ellipticity -0.6937122E+00 Gb(Abramov) 0.1116497E-01 Vb(Abramov) -0.8387528E-02 Hb(Abramov) 0.2777445E-02 Ex_ueg -0.2086453E-02 Ec_ueg -0.4712939E-03 Delta_ex -0.2465240E-02 Delta_ec 0.2038557E-03 Delta_et -0.1931537E-02 Pxc 0.4427074E+01 Qxc -0.1209306E+02 3,+3 66 3 -1 -1.821134 2.742988 -0.561763 Rho 0.1336306E+00 |GRAD(Rho)| 0.2998582E-09 GRAD(Rho)x -0.2110212E-09 GRAD(Rho)y -0.6375238E-10 GRAD(Rho)z 0.2032748E-09 Laplacian 0.5627927E+00 (-1/4)Del**2(Rho)) -0.1406982E+00 Diamond 0.9985000E+00 Metallicity 0.4276693E+01 Ellipticity 0.1194414E-01 Gb(Abramov) 0.1940859E+00 Vb(Abramov) -0.2474737E+00 Hb(Abramov) -0.5338775E-01 Ex_ueg -0.5045758E-01 Ec_ueg -0.7404024E-02 Delta_ex -0.5882651E-01 Delta_ec 0.1480910E-01 Delta_et -0.1940135E+00 Pxc 0.6814886E+01 Qxc -0.3972321E+01 3,-1 67 3 -1 -1.986974 2.965419 0.858560 Rho 0.1573161E+00 |GRAD(Rho)| 0.3488155E-15 GRAD(Rho)x -0.2523752E-15 GRAD(Rho)y 0.6148782E-16 GRAD(Rho)z -0.2328053E-15 Laplacian 0.6250391E+00 (-1/4)Del**2(Rho)) -0.1562598E+00 Diamond 0.1342890E+01 Metallicity 0.5054303E+01 Ellipticity 0.4772348E-01 Gb(Abramov) 0.2358039E+00 Vb(Abramov) -0.3153480E+00 Hb(Abramov) -0.7954413E-01 Ex_ueg -0.6272144E-01 Ec_ueg -0.8913483E-02 Delta_ex -0.6793200E-01 Delta_ec 0.1569908E-01 Delta_et -0.2104030E+00 Pxc 0.7036692E+01 Qxc -0.4327131E+01 3,-1 68 3 +3 -1.142375 1.101108 -1.118740 Rho 0.5296724E-02 |GRAD(Rho)| 0.7520805E-15 GRAD(Rho)x -0.3710099E-15 GRAD(Rho)y 0.5338717E-15 GRAD(Rho)z -0.3780975E-15 Laplacian 0.2207479E-01 (-1/4)Del**2(Rho)) -0.5518698E-02 Diamond 0.1765601E-03 Metallicity 0.5024144E+00 Ellipticity -0.2574943E+00 Gb(Abramov) 0.4141244E-02 Vb(Abramov) -0.2763790E-02 Hb(Abramov) 0.1377454E-02 Ex_ueg -0.6819117E-03 Ec_ueg -0.1597043E-03 Delta_ex -0.7833631E-03 Delta_ec 0.1121770E-03 Delta_et -0.8539336E-03 Pxc 0.4269839E+01 Qxc -0.6983280E+01 3,+3 69 3 +1 -1.031163 2.111944 1.367977 Rho 0.2470849E-01 |GRAD(Rho)| 0.3757754E-16 GRAD(Rho)x 0.6848386E-17 GRAD(Rho)y 0.3564919E-16 GRAD(Rho)z -0.9711175E-17 Laplacian 0.9730660E-01 (-1/4)Del**2(Rho)) -0.2432665E-01 Diamond 0.1219461E-01 Metallicity 0.1484389E+01 Ellipticity -0.3082379E+01 Gb(Abramov) 0.2223614E-01 Vb(Abramov) -0.2014562E-01 Hb(Abramov) 0.2090514E-02 Ex_ueg -0.5315122E-02 Ec_ueg -0.1074048E-02 Delta_ex -0.5996817E-02 Delta_ec 0.1586580E-02 Delta_et -0.1398040E-01 Pxc 0.4948682E+01 Qxc -0.3779713E+01 3,+1 70 3 +1 -0.592234 0.521005 -1.680352 Rho 0.9125923E-02 |GRAD(Rho)| 0.2642406E-16 GRAD(Rho)x 0.1449882E-18 GRAD(Rho)y -0.1544080E-16 GRAD(Rho)z 0.2144275E-16 Laplacian 0.3907844E-01 (-1/4)Del**2(Rho)) -0.9769609E-02 Diamond 0.1192603E-02 Metallicity 0.7027550E+00 Ellipticity -0.1421971E+01 Gb(Abramov) 0.7657346E-02 Vb(Abramov) -0.5545084E-02 Hb(Abramov) 0.2112263E-02 Ex_ueg -0.1408491E-02 Ec_ueg -0.3285723E-03 Delta_ex -0.1836776E-02 Delta_ec 0.5934959E-03 Delta_et -0.4084032E-02 Pxc 0.4286700E+01 Qxc -0.3094842E+01 3,+1 71 3 +3 -2.421264 0.051942 0.107838 Rho 0.4733228E-02 |GRAD(Rho)| 0.3276117E-17 GRAD(Rho)x 0.2830259E-17 GRAD(Rho)y -0.1283121E-17 GRAD(Rho)z -0.1037392E-17 Laplacian 0.1990701E-01 (-1/4)Del**2(Rho)) -0.4976752E-02 Diamond 0.2000673E-03 Metallicity 0.4618875E+00 Ellipticity -0.2336448E+00 Gb(Abramov) 0.3700951E-02 Vb(Abramov) -0.2425150E-02 Hb(Abramov) 0.1275801E-02 Ex_ueg -0.5869416E-03 Ec_ueg -0.1354506E-03 Delta_ex -0.7484341E-03 Delta_ec 0.2145137E-03 Delta_et -0.1313608E-02 Pxc 0.4333252E+01 Qxc -0.3488981E+01 3,+3 72 3 +1 0.095923 -0.078782 2.963111 Rho 0.4813416E-02 |GRAD(Rho)| 0.1345340E-15 GRAD(Rho)x 0.8728477E-16 GRAD(Rho)y -0.1018907E-15 GRAD(Rho)z 0.9951644E-17 Laplacian 0.1974418E-01 (-1/4)Del**2(Rho)) -0.4936046E-02 Diamond 0.4490550E-03 Metallicity 0.4789199E+00 Ellipticity -0.3079429E+01 Gb(Abramov) 0.3684692E-02 Vb(Abramov) -0.2433339E-02 Hb(Abramov) 0.1251354E-02 Ex_ueg -0.6002371E-03 Ec_ueg -0.1388922E-03 Delta_ex -0.9858023E-03 Delta_ec 0.6418986E-03 Delta_et -0.3438257E-02 Pxc 0.4321605E+01 Qxc -0.1535760E+01 3,+1 73 3 +1 -0.232263 -0.499107 -3.004071 Rho 0.3042433E-02 |GRAD(Rho)| 0.2576124E-17 GRAD(Rho)x -0.2062313E-17 GRAD(Rho)y 0.1096061E-17 GRAD(Rho)z 0.1087167E-17 Laplacian 0.1190523E-01 (-1/4)Del**2(Rho)) -0.2976306E-02 Diamond 0.1186488E-03 Metallicity 0.3697521E+00 Ellipticity -0.1440410E+01 Gb(Abramov) 0.2167620E-02 Vb(Abramov) -0.1358934E-02 Hb(Abramov) 0.8086861E-03 Ex_ueg -0.3255966E-03 Ec_ueg -0.6366858E-04 Delta_ex -0.4967969E-03 Delta_ec 0.2981463E-03 Delta_et -0.1425550E-02 Pxc 0.5113929E+01 Qxc -0.1666285E+01 3,+1 74 3 -1 -0.409645 0.345637 0.375102 Rho 0.1960848E+00 |GRAD(Rho)| 0.9893681E-14 GRAD(Rho)x 0.5664123E-14 GRAD(Rho)y -0.5640797E-14 GRAD(Rho)z -0.5829583E-14 Laplacian 0.6610557E+00 (-1/4)Del**2(Rho)) -0.1652639E+00 Diamond 0.2053701E+01 Metallicity 0.6898929E+01 Ellipticity 0.1243064E-02 Gb(Abramov) 0.3002000E+00 Vb(Abramov) -0.4351360E+00 Hb(Abramov) -0.1349360E+00 Ex_ueg -0.8413506E-01 Ec_ueg -0.1145644E-01 Delta_ex -0.7734418E-01 Delta_ec 0.1820493E-01 Delta_et -0.2584464E+00 Pxc 0.7343910E+01 Qxc -0.4248531E+01 3,-1 75 3 +3 -1.133015 -1.106513 1.160370 Rho 0.5066523E-02 |GRAD(Rho)| 0.8858110E-17 GRAD(Rho)x 0.7647063E-17 GRAD(Rho)y -0.3250863E-17 GRAD(Rho)z -0.3069273E-17 Laplacian 0.2081230E-01 (-1/4)Del**2(Rho)) -0.5203074E-02 Diamond 0.1557905E-03 Metallicity 0.4948534E+00 Ellipticity -0.7566163E-01 Gb(Abramov) 0.3897843E-02 Vb(Abramov) -0.2592611E-02 Hb(Abramov) 0.1305232E-02 Ex_ueg -0.6426855E-03 Ec_ueg -0.1497767E-03 Delta_ex -0.7288071E-03 Delta_ec 0.1043782E-03 Delta_et -0.7915497E-03 Pxc 0.4290958E+01 Qxc -0.6982371E+01 3,+3 76 3 +1 -0.540287 -0.577850 1.703908 Rho 0.8433715E-02 |GRAD(Rho)| 0.7787645E-17 GRAD(Rho)x 0.1005378E-17 GRAD(Rho)y 0.2845936E-17 GRAD(Rho)z 0.7178947E-17 Laplacian 0.3482572E-01 (-1/4)Del**2(Rho)) -0.8706429E-02 Diamond 0.9559348E-03 Metallicity 0.6914243E+00 Ellipticity -0.1431300E+01 Gb(Abramov) 0.6807592E-02 Vb(Abramov) -0.4908755E-02 Hb(Abramov) 0.1898837E-02 Ex_ueg -0.1267877E-02 Ec_ueg -0.2975462E-03 Delta_ex -0.1605531E-02 Delta_ec 0.5300372E-03 Delta_et -0.3571952E-02 Pxc 0.4261108E+01 Qxc -0.3029092E+01 3,+1 77 3 +3 0.061869 -0.048551 2.367112 Rho 0.4160258E-02 |GRAD(Rho)| 0.3228312E-15 GRAD(Rho)x -0.1169666E-17 GRAD(Rho)y -0.3222635E-15 GRAD(Rho)z 0.1910216E-16 Laplacian 0.1715047E-01 (-1/4)Del**2(Rho)) -0.4287618E-02 Diamond 0.1369861E-03 Metallicity 0.4323852E+00 Ellipticity -0.3279405E+00 Gb(Abramov) 0.3167396E-02 Vb(Abramov) -0.2047174E-02 Hb(Abramov) 0.1120222E-02 Ex_ueg -0.4941726E-03 Ec_ueg -0.1109562E-03 Delta_ex -0.6152499E-03 Delta_ec 0.1684263E-03 Delta_et -0.1018146E-02 Pxc 0.4453763E+01 Qxc -0.3652931E+01 3,+3 78 3 +1 -0.604070 1.653426 -0.506616 Rho 0.9102730E-02 |GRAD(Rho)| 0.1167757E-14 GRAD(Rho)x 0.3954950E-15 GRAD(Rho)y 0.4200598E-15 GRAD(Rho)z -0.1015278E-14 Laplacian 0.3794427E-01 (-1/4)Del**2(Rho)) -0.9486068E-02 Diamond 0.1137170E-02 Metallicity 0.7206976E+00 Ellipticity -0.1433867E+01 Gb(Abramov) 0.7463477E-02 Vb(Abramov) -0.5440885E-02 Hb(Abramov) 0.2022592E-02 Ex_ueg -0.1403720E-02 Ec_ueg -0.3275294E-03 Delta_ex -0.1775306E-02 Delta_ec 0.5637322E-03 Delta_et -0.3885908E-02 Pxc 0.4285785E+01 Qxc -0.3149200E+01 3,+1 79 3 +1 0.499254 1.701701 0.536950 Rho 0.8169945E-02 |GRAD(Rho)| 0.2544569E-15 GRAD(Rho)x -0.2089221E-15 GRAD(Rho)y -0.7515729E-16 GRAD(Rho)z 0.1243031E-15 Laplacian 0.3393416E-01 (-1/4)Del**2(Rho)) -0.8483541E-02 Diamond 0.8932230E-03 Metallicity 0.6729889E+00 Ellipticity -0.1414744E+01 Gb(Abramov) 0.6607249E-02 Vb(Abramov) -0.4730957E-02 Hb(Abramov) 0.1876292E-02 Ex_ueg -0.1215283E-02 Ec_ueg -0.2857795E-03 Delta_ex -0.1552678E-02 Delta_ec 0.5174812E-03 Delta_et -0.3457565E-02 Pxc 0.4252518E+01 Qxc -0.3000453E+01 3,+1 80 3 +1 -1.061283 1.331544 2.152223 Rho 0.2469614E-01 |GRAD(Rho)| 0.6214350E-16 GRAD(Rho)x 0.2929740E-16 GRAD(Rho)y 0.2834694E-16 GRAD(Rho)z 0.4690339E-16 Laplacian 0.9786783E-01 (-1/4)Del**2(Rho)) -0.2446696E-01 Diamond 0.1269209E-01 Metallicity 0.1474647E+01 Ellipticity -0.3556282E+01 Gb(Abramov) 0.2232466E-01 Vb(Abramov) -0.2018236E-01 Hb(Abramov) 0.2142296E-02 Ex_ueg -0.5311580E-02 Ec_ueg -0.1073427E-02 Delta_ex -0.6078680E-02 Delta_ec 0.1681582E-02 Delta_et -0.1479425E-01 Pxc 0.4948244E+01 Qxc -0.3614857E+01 3,+1 81 3 +1 1.660584 0.528805 0.553868 Rho 0.7706906E-02 |GRAD(Rho)| 0.8045747E-16 GRAD(Rho)x 0.5225477E-17 GRAD(Rho)y -0.5213099E-16 GRAD(Rho)z 0.6106111E-16 Laplacian 0.3156706E-01 (-1/4)Del**2(Rho)) -0.7891764E-02 Diamond 0.7899106E-03 Metallicity 0.6564161E+00 Ellipticity -0.1437832E+01 Gb(Abramov) 0.6124556E-02 Vb(Abramov) -0.4357348E-02 Hb(Abramov) 0.1767208E-02 Ex_ueg -0.1124325E-02 Ec_ueg -0.2651995E-03 Delta_ex -0.1435320E-02 Delta_ec 0.5022167E-03 Delta_et -0.3288257E-02 Pxc 0.4239543E+01 Qxc -0.2857969E+01 3,+1 82 3 -1 -0.058847 3.127097 -3.182076 Rho 0.2489080E+00 |GRAD(Rho)| 0.1263879E-15 GRAD(Rho)x 0.3057450E-16 GRAD(Rho)y 0.1213222E-15 GRAD(Rho)z 0.1788934E-16 Laplacian 0.9131227E+00 (-1/4)Del**2(Rho)) -0.2282807E+00 Diamond 0.3357842E+01 Metallicity 0.7432739E+01 Ellipticity 0.1580067E-02 Gb(Abramov) 0.4349789E+00 Vb(Abramov) -0.6416771E+00 Hb(Abramov) -0.2066982E+00 Ex_ueg -0.1156388E+00 Ec_ueg -0.1505707E-01 Delta_ex -0.1112977E+00 Delta_ec 0.1980399E-01 Delta_et -0.2739217E+00 Pxc 0.7680033E+01 Qxc -0.5619963E+01 3,-1 83 3 +1 -0.152523 2.918866 0.115156 Rho 0.5116009E-02 |GRAD(Rho)| 0.1405793E-12 GRAD(Rho)x -0.1393023E-12 GRAD(Rho)y 0.1750868E-13 GRAD(Rho)z -0.7130520E-14 Laplacian 0.2117007E-01 (-1/4)Del**2(Rho)) -0.5292519E-02 Diamond 0.5134573E-03 Metallicity 0.4944355E+00 Ellipticity -0.3065230E+01 Gb(Abramov) 0.3964481E-02 Vb(Abramov) -0.2636443E-02 Hb(Abramov) 0.1328038E-02 Ex_ueg -0.6510687E-03 Ec_ueg -0.1519086E-03 Delta_ex -0.1061112E-02 Delta_ec 0.6735586E-03 Delta_et -0.3680472E-02 Pxc 0.4285925E+01 Qxc -0.1575382E+01 3,+1 84 3 -1 0.087422 3.196903 3.203122 Rho 0.2369667E+00 |GRAD(Rho)| 0.6956137E-15 GRAD(Rho)x -0.1023758E-15 GRAD(Rho)y -0.2054563E-15 GRAD(Rho)z -0.6566470E-15 Laplacian 0.8448498E+00 (-1/4)Del**2(Rho)) -0.2112124E+00 Diamond 0.2958633E+01 Metallicity 0.7401376E+01 Ellipticity 0.3882751E-02 Gb(Abramov) 0.4013521E+00 Vb(Abramov) -0.5914917E+00 Hb(Abramov) -0.1901396E+00 Ex_ueg -0.1083016E+00 Ec_ueg -0.1422968E-01 Delta_ex -0.1018235E+00 Delta_ec 0.1888874E-01 Delta_et -0.2621965E+00 Pxc 0.7610963E+01 Qxc -0.5390701E+01 3,-1 85 3 -1 -0.574708 1.741948 -2.780198 Rho 0.1356142E+00 |GRAD(Rho)| 0.1011660E-15 GRAD(Rho)x 0.7941781E-17 GRAD(Rho)y -0.8288726E-16 GRAD(Rho)z 0.5745594E-16 Laplacian 0.5734614E+00 (-1/4)Del**2(Rho)) -0.1433654E+00 Diamond 0.1034251E+01 Metallicity 0.4301474E+01 Ellipticity 0.1014481E-01 Gb(Abramov) 0.1983573E+00 Vb(Abramov) -0.2533492E+00 Hb(Abramov) -0.5499194E-01 Ex_ueg -0.5145865E-01 Ec_ueg -0.7529073E-02 Delta_ex -0.6014026E-01 Delta_ec 0.1500910E-01 Delta_et -0.1970399E+00 Pxc 0.6834659E+01 Qxc -0.4006921E+01 3,-1 86 3 -1 0.453950 1.648666 -1.676106 Rho 0.4777119E-01 |GRAD(Rho)| 0.1852896E-15 GRAD(Rho)x -0.2738796E-16 GRAD(Rho)y 0.1118482E-15 GRAD(Rho)z -0.1451624E-15 Laplacian 0.1904436E+00 (-1/4)Del**2(Rho)) -0.4761091E-01 Diamond 0.9038692E-01 Metallicity 0.2275744E+01 Ellipticity 0.1124042E-01 Gb(Abramov) 0.4979898E-01 Vb(Abramov) -0.5198705E-01 Hb(Abramov) -0.2188073E-02 Ex_ueg -0.1280186E-01 Ec_ueg -0.2292049E-02 Delta_ex -0.1548114E-01 Delta_ec 0.5647673E-02 Delta_et -0.5883914E-01 Pxc 0.5585335E+01 Qxc -0.2741154E+01 3,-1 87 3 -1 -0.478056 1.686138 1.727754 Rho 0.3766555E-01 |GRAD(Rho)| 0.7271515E-16 GRAD(Rho)x 0.2706503E-16 GRAD(Rho)y 0.2851483E-16 GRAD(Rho)z 0.6117092E-16 Laplacian 0.1545735E+00 (-1/4)Del**2(Rho)) -0.3864338E-01 Diamond 0.5466222E-01 Metallicity 0.1886769E+01 Ellipticity 0.1094190E-01 Gb(Abramov) 0.3791410E-01 Vb(Abramov) -0.3718483E-01 Hb(Abramov) 0.7292736E-03 Ex_ueg -0.9324900E-02 Ec_ueg -0.1745375E-02 Delta_ex -0.1194114E-01 Delta_ec 0.4766359E-02 Delta_et -0.4661627E-01 Pxc 0.5342633E+01 Qxc -0.2505296E+01 3,-1 88 3 +1 0.567269 0.488443 1.704956 Rho 0.7770095E-02 |GRAD(Rho)| 0.6026923E-17 GRAD(Rho)x 0.4405159E-17 GRAD(Rho)y -0.4104998E-17 GRAD(Rho)z -0.2595395E-18 Laplacian 0.3198189E-01 (-1/4)Del**2(Rho)) -0.7995473E-02 Diamond 0.8159286E-03 Metallicity 0.6567795E+00 Ellipticity -0.1444941E+01 Gb(Abramov) 0.6205526E-02 Vb(Abramov) -0.4415579E-02 Hb(Abramov) 0.1789947E-02 Ex_ueg -0.1136633E-02 Ec_ueg -0.2680023E-03 Delta_ex -0.1460555E-02 Delta_ec 0.5149960E-03 Delta_et -0.3374705E-02 Pxc 0.4241131E+01 Qxc -0.2836052E+01 3,+1 89 3 +1 0.455009 -0.797064 -1.767091 Rho 0.5140538E-02 |GRAD(Rho)| 0.7920668E-17 GRAD(Rho)x -0.6684784E-17 GRAD(Rho)y 0.4472334E-18 GRAD(Rho)z 0.4225000E-17 Laplacian 0.2106924E-01 (-1/4)Del**2(Rho)) -0.5267310E-02 Diamond 0.4361900E-03 Metallicity 0.5007779E+00 Ellipticity -0.1817364E+01 Gb(Abramov) 0.3951166E-02 Vb(Abramov) -0.2635021E-02 Hb(Abramov) 0.1316145E-02 Ex_ueg -0.6552340E-03 Ec_ueg -0.1529657E-03 Delta_ex -0.9871272E-03 Delta_ec 0.5455400E-03 Delta_et -0.3035022E-02 Pxc 0.4283535E+01 Qxc -0.1809450E+01 3,+1 90 3 -1 0.259859 -1.154235 -1.862810 Rho 0.5404107E-02 |GRAD(Rho)| 0.1961774E-16 GRAD(Rho)x 0.1460221E-16 GRAD(Rho)y 0.4883145E-17 GRAD(Rho)z 0.1215672E-16 Laplacian 0.2173486E-01 (-1/4)Del**2(Rho)) -0.5433715E-02 Diamond 0.6847796E-03 Metallicity 0.5276300E+00 Ellipticity 0.6712994E+00 Gb(Abramov) 0.4100308E-02 Vb(Abramov) -0.2766902E-02 Hb(Abramov) 0.1333406E-02 Ex_ueg -0.7004067E-03 Ec_ueg -0.1643444E-03 Delta_ex -0.1199262E-02 Delta_ec 0.8668904E-03 Delta_et -0.4745945E-02 Pxc 0.4261823E+01 Qxc -0.1383407E+01 3,-1 91 3 +3 0.935797 -1.127487 -1.251380 Rho 0.4077290E-02 |GRAD(Rho)| 0.5628906E-17 GRAD(Rho)x -0.9554532E-18 GRAD(Rho)y -0.2168404E-18 GRAD(Rho)z 0.5542984E-17 Laplacian 0.1671701E-01 (-1/4)Del**2(Rho)) -0.4179252E-02 Diamond 0.1315660E-03 Metallicity 0.4289506E+00 Ellipticity -0.5180526E+00 Gb(Abramov) 0.3084950E-02 Vb(Abramov) -0.1990648E-02 Hb(Abramov) 0.1094302E-02 Ex_ueg -0.4810763E-03 Ec_ueg -0.1074235E-03 Delta_ex -0.5986734E-03 Delta_ec 0.1677306E-03 Delta_et -0.1004218E-02 Pxc 0.4478313E+01 Qxc -0.3569255E+01 3,+3 92 3 +1 1.217388 -1.123035 2.098136 Rho 0.2230023E-01 |GRAD(Rho)| 0.9240706E-16 GRAD(Rho)x -0.1047459E-16 GRAD(Rho)y 0.8221730E-17 GRAD(Rho)z -0.9144261E-16 Laplacian 0.8743978E-01 (-1/4)Del**2(Rho)) -0.2185994E-01 Diamond 0.1086728E-01 Metallicity 0.1392365E+01 Ellipticity -0.6573892E+01 Gb(Abramov) 0.1964613E-01 Vb(Abramov) -0.1743232E-01 Hb(Abramov) 0.2213812E-02 Ex_ueg -0.4635866E-02 Ec_ueg -0.9537698E-03 Delta_ex -0.5413916E-02 Delta_ec 0.1731086E-02 Delta_et -0.1477967E-01 Pxc 0.4860571E+01 Qxc -0.3127469E+01 3,+1 93 3 +3 1.797724 -1.813800 1.830561 Rho 0.1167907E-01 |GRAD(Rho)| 0.2704653E-15 GRAD(Rho)x -0.8305890E-16 GRAD(Rho)y 0.9543068E-16 GRAD(Rho)z 0.2390517E-15 Laplacian 0.5272905E-01 (-1/4)Del**2(Rho)) -0.1318226E-01 Diamond 0.1055611E-02 Metallicity 0.7856765E+00 Ellipticity -0.5378627E+00 Gb(Abramov) 0.1051434E-01 Vb(Abramov) -0.7846419E-02 Hb(Abramov) 0.2667922E-02 Ex_ueg -0.1957024E-02 Ec_ueg -0.4447742E-03 Delta_ex -0.2279749E-02 Delta_ec 0.1601031E-03 Delta_et -0.1601215E-02 Pxc 0.4400040E+01 Qxc -0.1423926E+02 3,+3 94 3 +1 1.686298 -0.520362 -0.583752 Rho 0.7926723E-02 |GRAD(Rho)| 0.4510379E-17 GRAD(Rho)x -0.2795209E-18 GRAD(Rho)y 0.3286488E-17 GRAD(Rho)z 0.3076424E-17 Laplacian 0.3261035E-01 (-1/4)Del**2(Rho)) -0.8152586E-02 Diamond 0.8296641E-03 Metallicity 0.6659075E+00 Ellipticity -0.1420163E+01 Gb(Abramov) 0.6339869E-02 Vb(Abramov) -0.4527152E-02 Hb(Abramov) 0.1812717E-02 Ex_ueg -0.1167284E-02 Ec_ueg -0.2749573E-03 Delta_ex -0.1483907E-02 Delta_ec 0.5025458E-03 Delta_et -0.3327121E-02 Pxc 0.4245330E+01 Qxc -0.2952780E+01 3,+1 95 3 -1 -1.688978 0.492618 1.736168 Rho 0.4236202E-01 |GRAD(Rho)| 0.2533854E-13 GRAD(Rho)x -0.1739948E-13 GRAD(Rho)y -0.1835724E-13 GRAD(Rho)z -0.1520334E-14 Laplacian 0.1664709E+00 (-1/4)Del**2(Rho)) -0.4161772E-01 Diamond 0.6639722E-01 Metallicity 0.2130931E+01 Ellipticity 0.1253849E-01 Gb(Abramov) 0.4252590E-01 Vb(Abramov) -0.4343407E-01 Hb(Abramov) -0.9081732E-03 Ex_ueg -0.1090655E-01 Ec_ueg -0.1997242E-02 Delta_ex -0.1309397E-01 Delta_ec 0.4873582E-02 Delta_et -0.4917284E-01 Pxc 0.5460805E+01 Qxc -0.2686724E+01 3,-1 96 3 -1 0.305490 -0.393972 0.336065 Rho 0.2010309E+00 |GRAD(Rho)| 0.4813495E-15 GRAD(Rho)x 0.3265322E-15 GRAD(Rho)y -0.2075735E-15 GRAD(Rho)z 0.2863343E-15 Laplacian 0.7017192E+00 (-1/4)Del**2(Rho)) -0.1754298E+00 Diamond 0.2244866E+01 Metallicity 0.6774667E+01 Ellipticity 0.4641248E-02 Gb(Abramov) 0.3150329E+00 Vb(Abramov) -0.4546361E+00 Hb(Abramov) -0.1396032E+00 Ex_ueg -0.8697656E-01 Ec_ueg -0.1178704E-01 Delta_ex -0.8260050E-01 Delta_ec 0.1918658E-01 Delta_et -0.2732216E+00 Pxc 0.7379002E+01 Qxc -0.4305119E+01 3,-1 97 3 +3 1.835427 1.772289 -1.827336 Rho 0.1194705E-01 |GRAD(Rho)| 0.4483427E-13 GRAD(Rho)x 0.1785220E-13 GRAD(Rho)y -0.3720410E-13 GRAD(Rho)z -0.1752900E-13 Laplacian 0.5440646E-01 (-1/4)Del**2(Rho)) -0.1360162E-01 Diamond 0.1143964E-02 Metallicity 0.7907945E+00 Ellipticity -0.6259305E+00 Gb(Abramov) 0.1086042E-01 Vb(Abramov) -0.8119233E-02 Hb(Abramov) 0.2741191E-02 Ex_ueg -0.2017124E-02 Ec_ueg -0.4571251E-03 Delta_ex -0.2373849E-02 Delta_ec 0.1753009E-03 Delta_et -0.1721980E-02 Pxc 0.4412629E+01 Qxc -0.1354157E+02 3,+3 98 3 +1 -1.736790 -0.505996 0.602069 Rho 0.9230735E-02 |GRAD(Rho)| 0.1710996E-16 GRAD(Rho)x -0.1374904E-16 GRAD(Rho)y -0.8466655E-17 GRAD(Rho)z 0.5659540E-17 Laplacian 0.3872986E-01 (-1/4)Del**2(Rho)) -0.9682464E-02 Diamond 0.1189107E-02 Metallicity 0.7227051E+00 Ellipticity -0.1438443E+01 Gb(Abramov) 0.7621237E-02 Vb(Abramov) -0.5560010E-02 Hb(Abramov) 0.2061227E-02 Ex_ueg -0.1430101E-02 Ec_ueg -0.3332885E-03 Delta_ex -0.1820951E-02 Delta_ec 0.5798615E-03 Delta_et -0.4008258E-02 Pxc 0.4290880E+01 Qxc -0.3140321E+01 3,+1 99 3 -1 2.017347 0.795414 -2.986572 Rho 0.1377019E+00 |GRAD(Rho)| 0.4502424E-13 GRAD(Rho)x -0.3789713E-13 GRAD(Rho)y 0.1695299E-13 GRAD(Rho)z 0.1742370E-13 Laplacian 0.5462405E+00 (-1/4)Del**2(Rho)) -0.1365601E+00 Diamond 0.9944918E+00 Metallicity 0.4632290E+01 Ellipticity 0.4286557E-01 Gb(Abramov) 0.1964711E+00 Vb(Abramov) -0.2563821E+00 Hb(Abramov) -0.5991097E-01 Ex_ueg -0.5251760E-01 Ec_ueg -0.7660967E-02 Delta_ex -0.5739856E-01 Delta_ec 0.1406636E-01 Delta_et -0.1847451E+00 Pxc 0.6855218E+01 Qxc -0.4080557E+01 3,-1 100 3 +1 1.395637 0.922749 -2.089742 Rho 0.2337455E-01 |GRAD(Rho)| 0.4350809E-16 GRAD(Rho)x 0.2404396E-16 GRAD(Rho)y 0.1947764E-16 GRAD(Rho)z -0.3058535E-16 Laplacian 0.9138079E-01 (-1/4)Del**2(Rho)) -0.2284520E-01 Diamond 0.1016547E-01 Metallicity 0.1440999E+01 Ellipticity -0.2591418E+01 Gb(Abramov) 0.2071678E-01 Vb(Abramov) -0.1858837E-01 Hb(Abramov) 0.2128414E-02 Ex_ueg -0.4936011E-02 Ec_ueg -0.1007229E-02 Delta_ex -0.5495760E-02 Delta_ec 0.1395847E-02 Delta_et -0.1216240E-01 Pxc 0.4900586E+01 Qxc -0.3937222E+01 3,+1 101 3 +1 2.075177 0.987310 -1.356291 Rho 0.2195974E-01 |GRAD(Rho)| 0.6495531E-15 GRAD(Rho)x 0.3663289E-15 GRAD(Rho)y -0.2503561E-15 GRAD(Rho)z -0.4743883E-15 Laplacian 0.8479010E-01 (-1/4)Del**2(Rho)) -0.2119752E-01 Diamond 0.9166672E-02 Metallicity 0.1399523E+01 Ellipticity -0.3047435E+01 Gb(Abramov) 0.1907609E-01 Vb(Abramov) -0.1695465E-01 Hb(Abramov) 0.2121436E-02 Ex_ueg -0.4541731E-02 Ec_ueg -0.9368950E-03 Delta_ex -0.5080409E-02 Delta_ec 0.1413242E-02 Delta_et -0.1208985E-01 Pxc 0.4847641E+01 Qxc -0.3594862E+01 3,+1 102 3 -1 1.651562 1.674703 -0.482180 Rho 0.3666523E-01 |GRAD(Rho)| 0.7850862E-16 GRAD(Rho)x -0.4225678E-16 GRAD(Rho)y -0.6090485E-16 GRAD(Rho)z -0.2585669E-16 Laplacian 0.1408659E+00 (-1/4)Del**2(Rho)) -0.3521648E-01 Diamond 0.4569312E-01 Metallicity 0.1979541E+01 Ellipticity 0.1303572E-01 Gb(Abramov) 0.3509640E-01 Vb(Abramov) -0.3497632E-01 Hb(Abramov) 0.1200799E-03 Ex_ueg -0.8996169E-02 Ec_ueg -0.1692261E-02 Delta_ex -0.1065880E-01 Delta_ec 0.4072962E-02 Delta_et -0.3952642E-01 Pxc 0.5316063E+01 Qxc -0.2616965E+01 3,-1 103 3 +3 1.084900 1.080586 1.117120 Rho 0.4535055E-02 |GRAD(Rho)| 0.4816017E-16 GRAD(Rho)x -0.2919591E-16 GRAD(Rho)y 0.2328854E-16 GRAD(Rho)z 0.3040798E-16 Laplacian 0.1848864E-01 (-1/4)Del**2(Rho)) -0.4622159E-02 Diamond 0.1255737E-03 Metallicity 0.4631048E+00 Ellipticity -0.1940311E+00 Gb(Abramov) 0.3438197E-02 Vb(Abramov) -0.2254234E-02 Hb(Abramov) 0.1183962E-02 Ex_ueg -0.5544068E-03 Ec_ueg -0.1269595E-03 Delta_ex -0.6350800E-03 Delta_ec 0.1052453E-03 Delta_et -0.7497215E-03 Pxc 0.4366799E+01 Qxc -0.6034285E+01 3,+3 104 3 +1 1.731120 1.795172 1.773710 Rho 0.1216801E-01 |GRAD(Rho)| 0.1563324E-11 GRAD(Rho)x 0.1329107E-11 GRAD(Rho)y -0.5645022E-12 GRAD(Rho)z -0.5989936E-12 Laplacian 0.6077795E-01 (-1/4)Del**2(Rho)) -0.1519449E-01 Diamond 0.2482770E-02 Metallicity 0.7298489E+00 Ellipticity -0.1265652E+01 Gb(Abramov) 0.1197794E-01 Vb(Abramov) -0.8761389E-02 Hb(Abramov) 0.3216549E-02 Ex_ueg -0.2067019E-02 Ec_ueg -0.4673304E-03 Delta_ex -0.2998628E-02 Delta_ec 0.7891503E-03 Delta_et -0.5937263E-02 Pxc 0.4423035E+01 Qxc -0.3799819E+01 3,+1 105 3 +1 2.010614 1.958849 -2.008015 Rho 0.1233033E-01 |GRAD(Rho)| 0.1130838E-16 GRAD(Rho)x 0.3524847E-17 GRAD(Rho)y 0.9589503E-17 GRAD(Rho)z 0.4847303E-17 Laplacian 0.5827457E-01 (-1/4)Del**2(Rho)) -0.1456864E-01 Diamond 0.2048044E-02 Metallicity 0.7782014E+00 Ellipticity -0.1172108E+01 Gb(Abramov) 0.1160199E-01 Vb(Abramov) -0.8635327E-02 Hb(Abramov) 0.2966658E-02 Ex_ueg -0.2103866E-02 Ec_ueg -0.4748397E-03 Delta_ex -0.2780373E-02 Delta_ec 0.5694828E-03 Delta_et -0.4440123E-02 Pxc 0.4430687E+01 Qxc -0.4882277E+01 3,+1 106 3 +1 1.290387 2.085108 -1.046084 Rho 0.2540782E-01 |GRAD(Rho)| 0.1181488E-14 GRAD(Rho)x 0.8644832E-15 GRAD(Rho)y 0.6709179E-15 GRAD(Rho)z 0.4454803E-15 Laplacian 0.9882204E-01 (-1/4)Del**2(Rho)) -0.2470551E-01 Diamond 0.1294288E-01 Metallicity 0.1531222E+01 Ellipticity -0.3459287E+01 Gb(Abramov) 0.2277528E-01 Vb(Abramov) -0.2084505E-01 Hb(Abramov) 0.1930231E-02 Ex_ueg -0.5516643E-02 Ec_ueg -0.1109269E-02 Delta_ex -0.6143803E-02 Delta_ec 0.1625109E-02 Delta_et -0.1441338E-01 Pxc 0.4973224E+01 Qxc -0.3780547E+01 3,+1 107 3 +1 2.947112 -0.048593 0.101318 Rho 0.4778102E-02 |GRAD(Rho)| 0.2975364E-17 GRAD(Rho)x 0.1214740E-17 GRAD(Rho)y 0.1246508E-17 GRAD(Rho)z -0.2413175E-17 Laplacian 0.1949923E-01 (-1/4)Del**2(Rho)) -0.4874807E-02 Diamond 0.4714098E-03 Metallicity 0.4790212E+00 Ellipticity -0.7100061E+01 Gb(Abramov) 0.3639061E-02 Vb(Abramov) -0.2403314E-02 Hb(Abramov) 0.1235746E-02 Ex_ueg -0.5943728E-03 Ec_ueg -0.1373761E-03 Delta_ex -0.1004071E-02 Delta_ec 0.6908115E-03 Delta_et -0.3669669E-02 Pxc 0.4326608E+01 Qxc -0.1453466E+01 3,+1 108 3 +1 2.090413 -1.239325 1.128967 Rho 0.2303765E-01 |GRAD(Rho)| 0.3903404E-16 GRAD(Rho)x -0.3744015E-16 GRAD(Rho)y -0.4080979E-17 GRAD(Rho)z -0.1025850E-16 Laplacian 0.9236980E-01 (-1/4)Del**2(Rho)) -0.2309245E-01 Diamond 0.1230344E-01 Metallicity 0.1391490E+01 Ellipticity -0.8211979E+01 Gb(Abramov) 0.2075045E-01 Vb(Abramov) -0.1840845E-01 Hb(Abramov) 0.2341999E-02 Ex_ueg -0.4841380E-02 Ec_ueg -0.9904293E-03 Delta_ex -0.5803781E-02 Delta_ec 0.1893502E-02 Delta_et -0.1628772E-01 Pxc 0.4888163E+01 Qxc -0.3065104E+01 3,+1 109 3 -1 2.980031 -0.872147 1.995681 Rho 0.1696276E+00 |GRAD(Rho)| 0.3059813E-15 GRAD(Rho)x 0.2316127E-15 GRAD(Rho)y -0.1994932E-15 GRAD(Rho)z -0.1351187E-16 Laplacian 0.6660048E+00 (-1/4)Del**2(Rho)) -0.1665012E+00 Diamond 0.1547751E+01 Metallicity 0.5378116E+01 Ellipticity 0.6455831E-01 Gb(Abramov) 0.2602446E+00 Vb(Abramov) -0.3539880E+00 Hb(Abramov) -0.9374339E-01 Ex_ueg -0.6935012E-01 Ec_ueg -0.9711587E-02 Delta_ex -0.7359447E-01 Delta_ec 0.1612807E-01 Delta_et -0.2174134E+00 Pxc 0.7140966E+01 Qxc -0.4563131E+01 3,-1 110 3 -1 2.837083 -0.578225 -1.814896 Rho 0.1274093E+00 |GRAD(Rho)| 0.1030751E-12 GRAD(Rho)x -0.5986893E-14 GRAD(Rho)y 0.6753274E-13 GRAD(Rho)z -0.7764002E-13 Laplacian 0.5207578E+00 (-1/4)Del**2(Rho)) -0.1301894E+00 Diamond 0.8615017E+00 Metallicity 0.4268869E+01 Ellipticity 0.1531938E-01 Gb(Abramov) 0.1794199E+00 Vb(Abramov) -0.2286504E+00 Hb(Abramov) -0.4923048E-01 Ex_ueg -0.4735001E-01 Ec_ueg -0.7013484E-02 Delta_ex -0.5367552E-01 Delta_ec 0.1361672E-01 Delta_et -0.1765723E+00 Pxc 0.6751282E+01 Qxc -0.3941883E+01 3,-1 111 3 +3 2.326825 0.021020 0.005155 Rho 0.4041007E-02 |GRAD(Rho)| 0.4829718E-17 GRAD(Rho)x 0.1299296E-17 GRAD(Rho)y 0.1260120E-17 GRAD(Rho)z -0.4477734E-17 Laplacian 0.1663604E-01 (-1/4)Del**2(Rho)) -0.4159011E-02 Diamond 0.1268118E-03 Metallicity 0.4246642E+00 Ellipticity -0.3123143E+00 Gb(Abramov) 0.3067038E-02 Vb(Abramov) -0.1975065E-02 Hb(Abramov) 0.1091973E-02 Ex_ueg -0.4753766E-03 Ec_ueg -0.1058798E-03 Delta_ex -0.5913114E-03 Delta_ec 0.1613208E-03 Delta_et -0.9709293E-03 Pxc 0.4489778E+01 Qxc -0.3665437E+01 3,+3 112 3 +1 1.899552 -1.793486 -1.742531 Rho 0.1477540E-01 |GRAD(Rho)| 0.3131306E-14 GRAD(Rho)x -0.9693662E-15 GRAD(Rho)y -0.2480932E-14 GRAD(Rho)z 0.1646325E-14 Laplacian 0.6984649E-01 (-1/4)Del**2(Rho)) -0.1746162E-01 Diamond 0.3800584E-02 Metallicity 0.8777433E+00 Ellipticity -0.1420866E+01 Gb(Abramov) 0.1419555E-01 Vb(Abramov) -0.1092948E-01 Hb(Abramov) 0.3266070E-02 Ex_ueg -0.2677755E-02 Ec_ueg -0.5891607E-03 Delta_ex -0.3645176E-02 Delta_ec 0.9363167E-03 Delta_et -0.7363342E-02 Pxc 0.4545033E+01 Qxc -0.3893102E+01 3,+1 113 3 -1 2.919317 -1.999926 0.796233 Rho 0.9621752E-01 |GRAD(Rho)| 0.1389716E-14 GRAD(Rho)x -0.3436785E-15 GRAD(Rho)y -0.7783894E-15 GRAD(Rho)z -0.1098775E-14 Laplacian 0.3866329E+00 (-1/4)Del**2(Rho)) -0.9665824E-01 Diamond 0.4598986E+00 Metallicity 0.3600846E+01 Ellipticity 0.9049925E-02 Gb(Abramov) 0.1224474E+00 Vb(Abramov) -0.1482366E+00 Hb(Abramov) -0.2578917E-01 Ex_ueg -0.3256297E-01 Ec_ueg -0.5096498E-02 Delta_ex -0.3735866E-01 Delta_ec 0.1090162E-01 Delta_et -0.1344083E+00 Pxc 0.6389282E+01 Qxc -0.3426890E+01 3,-1 114 3 +1 -2.223379 -1.097274 -1.235730 Rho 0.2713045E-01 |GRAD(Rho)| 0.3431793E-16 GRAD(Rho)x -0.2780891E-16 GRAD(Rho)y -0.9809538E-17 GRAD(Rho)z -0.1755443E-16 Laplacian 0.1094762E+00 (-1/4)Del**2(Rho)) -0.2736906E-01 Diamond 0.1644823E-01 Metallicity 0.1541896E+01 Ellipticity -0.4292657E+01 Gb(Abramov) 0.2527941E-01 Vb(Abramov) -0.2318976E-01 Hb(Abramov) 0.2089647E-02 Ex_ueg -0.6020895E-02 Ec_ueg -0.1196566E-02 Delta_ex -0.7000799E-02 Delta_ec 0.1931300E-02 Delta_et -0.1737743E-01 Pxc 0.5031812E+01 Qxc -0.3624915E+01 3,+1 115 3 -1 -3.267616 -3.131688 0.074368 Rho 0.2481954E+00 |GRAD(Rho)| 0.2292357E-15 GRAD(Rho)x 0.1666419E-15 GRAD(Rho)y 0.1543904E-15 GRAD(Rho)z 0.3071003E-16 Laplacian 0.9112428E+00 (-1/4)Del**2(Rho)) -0.2278107E+00 Diamond 0.3339288E+01 Metallicity 0.7412568E+01 Ellipticity 0.9459156E-03 Gb(Abramov) 0.4333175E+00 Vb(Abramov) -0.6388244E+00 Hb(Abramov) -0.2055068E+00 Ex_ueg -0.1151976E+00 Ec_ueg -0.1500748E-01 Delta_ex -0.1109845E+00 Delta_ec 0.1977954E-01 Delta_et -0.2735631E+00 Pxc 0.7676013E+01 Qxc -0.5611078E+01 3,-1 116 3 -1 -3.055587 -1.948715 -0.829059 Rho 0.1590202E+00 |GRAD(Rho)| 0.7050161E-09 GRAD(Rho)x -0.3102699E-09 GRAD(Rho)y 0.3748618E-09 GRAD(Rho)z -0.5101558E-09 Laplacian 0.6360410E+00 (-1/4)Del**2(Rho)) -0.1590102E+00 Diamond 0.1383317E+01 Metallicity 0.5056871E+01 Ellipticity 0.6371382E-01 Gb(Abramov) 0.2400225E+00 Vb(Abramov) -0.3210349E+00 Hb(Abramov) -0.8101231E-01 Ex_ueg -0.6362895E-01 Ec_ueg -0.9023415E-02 Delta_ex -0.6930298E-01 Delta_ec 0.1591549E-01 Delta_et -0.2135613E+00 Pxc 0.7051538E+01 Qxc -0.4354436E+01 3,-1 117 3 -1 -2.821514 -1.775763 0.607493 Rho 0.1465424E+00 |GRAD(Rho)| 0.8456304E-13 GRAD(Rho)x -0.6237006E-13 GRAD(Rho)y 0.5569280E-13 GRAD(Rho)z -0.1261727E-13 Laplacian 0.6170077E+00 (-1/4)Del**2(Rho)) -0.1542519E+00 Diamond 0.1218416E+01 Metallicity 0.4549130E+01 Ellipticity 0.1211159E-01 Gb(Abramov) 0.2197866E+00 Vb(Abramov) -0.2853213E+00 Hb(Abramov) -0.6553469E-01 Ex_ueg -0.5706060E-01 Ec_ueg -0.8222550E-02 Delta_ex -0.6590923E-01 Delta_ec 0.1579301E-01 Delta_et -0.2096513E+00 Pxc 0.6939526E+01 Qxc -0.4173316E+01 3,-1 118 3 -1 -2.013498 -2.988963 -0.780537 Rho 0.1403208E+00 |GRAD(Rho)| 0.1819624E-15 GRAD(Rho)x -0.1213358E-15 GRAD(Rho)y 0.1402687E-16 GRAD(Rho)z 0.1348748E-15 Laplacian 0.5195187E+00 (-1/4)Del**2(Rho)) -0.1298797E+00 Diamond 0.9950644E+00 Metallicity 0.5025920E+01 Ellipticity 0.1003207E+00 Gb(Abramov) 0.1953806E+00 Vb(Abramov) -0.2608815E+00 Hb(Abramov) -0.6550092E-01 Ex_ueg -0.5385359E-01 Ec_ueg -0.7826817E-02 Delta_ex -0.5514200E-01 Delta_ec 0.1385288E-01 Delta_et -0.1835853E+00 Pxc 0.6880650E+01 Qxc -0.3980543E+01 3,-1 119 3 +1 -0.617361 -1.676270 0.537077 Rho 0.8905630E-02 |GRAD(Rho)| 0.4101835E-14 GRAD(Rho)x -0.2541690E-14 GRAD(Rho)y -0.2986291E-14 GRAD(Rho)z -0.1202883E-14 Laplacian 0.3696613E-01 (-1/4)Del**2(Rho)) -0.9241533E-02 Diamond 0.1102322E-02 Metallicity 0.7132639E+00 Ellipticity -0.1458148E+01 Gb(Abramov) 0.7259630E-02 Vb(Abramov) -0.5277728E-02 Hb(Abramov) 0.1981902E-02 Ex_ueg -0.1363341E-02 Ec_ueg -0.3186755E-03 Delta_ex -0.1731657E-02 Delta_ec 0.5699528E-03 Delta_et -0.3890701E-02 Pxc 0.4278149E+01 Qxc -0.3038247E+01 3,+1 120 3 -1 -1.858768 -2.743027 0.585823 Rho 0.1277749E+00 |GRAD(Rho)| 0.1891196E-15 GRAD(Rho)x 0.1106835E-15 GRAD(Rho)y -0.9626021E-16 GRAD(Rho)z 0.1193707E-15 Laplacian 0.5352365E+00 (-1/4)Del**2(Rho)) -0.1338091E+00 Diamond 0.9028187E+00 Metallicity 0.4173270E+01 Ellipticity 0.1999618E-01 Gb(Abramov) 0.1822763E+00 Vb(Abramov) -0.2307436E+00 Hb(Abramov) -0.4846722E-01 Ex_ueg -0.4753122E-01 Ec_ueg -0.7036358E-02 Delta_ex -0.5538251E-01 Delta_ec 0.1430095E-01 Delta_et -0.1861091E+00 Pxc 0.6755088E+01 Qxc -0.3872647E+01 3,-1 121 3 +1 0.082215 -2.944736 0.106973 Rho 0.4788205E-02 |GRAD(Rho)| 0.3860831E-17 GRAD(Rho)x -0.1823874E-17 GRAD(Rho)y -0.2579639E-17 GRAD(Rho)z 0.2219226E-17 Laplacian 0.1943546E-01 (-1/4)Del**2(Rho)) -0.4858864E-02 Diamond 0.4068862E-03 Metallicity 0.4822879E+00 Ellipticity -0.2289354E+01 Gb(Abramov) 0.3629804E-02 Vb(Abramov) -0.2400745E-02 Hb(Abramov) 0.1229059E-02 Ex_ueg -0.5960491E-03 Ec_ueg -0.1378098E-03 Delta_ex -0.9379048E-03 Delta_ec 0.5755893E-03 Delta_et -0.3100337E-02 Pxc 0.4325157E+01 Qxc -0.1629469E+01 3,+1 122 3 -1 0.085511 -1.965035 -1.013298 Rho 0.7268613E-02 |GRAD(Rho)| 0.5401274E-17 GRAD(Rho)x 0.3117081E-17 GRAD(Rho)y -0.4083969E-17 GRAD(Rho)z -0.1666961E-17 Laplacian 0.2856608E-01 (-1/4)Del**2(Rho)) -0.7141521E-02 Diamond 0.1254263E-02 Metallicity 0.6579330E+00 Ellipticity 0.1044969E+01 Gb(Abramov) 0.5544121E-02 Vb(Abramov) -0.3946721E-02 Hb(Abramov) 0.1597400E-02 Ex_ueg -0.1039889E-02 Ec_ueg -0.2458099E-03 Delta_ex -0.1615410E-02 Delta_ec 0.1052550E-02 Delta_et -0.6335047E-02 Pxc 0.4230461E+01 Qxc -0.1534758E+01 3,-1 123 3 +1 -2.175050 -2.145036 -2.029827 Rho 0.1216785E-01 |GRAD(Rho)| 0.1855428E-16 GRAD(Rho)x -0.4921963E-17 GRAD(Rho)y -0.3853385E-17 GRAD(Rho)z 0.1746960E-16 Laplacian 0.5455925E-01 (-1/4)Del**2(Rho)) -0.1363981E-01 Diamond 0.2057488E-02 Metallicity 0.8130205E+00 Ellipticity -0.1298774E+01 Gb(Abramov) 0.1094145E-01 Vb(Abramov) -0.8243086E-02 Hb(Abramov) 0.2698363E-02 Ex_ueg -0.2066984E-02 Ec_ueg -0.4673233E-03 Delta_ex -0.2643237E-02 Delta_ec 0.6216923E-03 Delta_et -0.4743477E-02 Pxc 0.4423028E+01 Qxc -0.4251681E+01 3,+1 124 3 -1 -1.781789 -1.639366 -0.474958 Rho 0.4675540E-01 |GRAD(Rho)| 0.7007754E-16 GRAD(Rho)x 0.5670674E-16 GRAD(Rho)y 0.4034418E-16 GRAD(Rho)z -0.8219184E-17 Laplacian 0.1858235E+00 (-1/4)Del**2(Rho)) -0.4645588E-01 Diamond 0.8549108E-01 Metallicity 0.2250257E+01 Ellipticity 0.1012303E-01 Gb(Abramov) 0.4839353E-01 Vb(Abramov) -0.5033118E-01 Hb(Abramov) -0.1937650E-02 Ex_ueg -0.1244020E-01 Ec_ueg -0.2236325E-02 Delta_ex -0.1501661E-01 Delta_ec 0.5497799E-02 Delta_et -0.5695165E-01 Pxc 0.5562788E+01 Qxc -0.2731385E+01 3,-1 125 3 +1 -1.770698 -1.745571 1.802399 Rho 0.1227065E-01 |GRAD(Rho)| 0.1855868E-16 GRAD(Rho)x -0.2967852E-17 GRAD(Rho)y -0.1394132E-16 GRAD(Rho)z -0.1188512E-16 Laplacian 0.6177022E-01 (-1/4)Del**2(Rho)) -0.1544255E-01 Diamond 0.2542496E-02 Metallicity 0.7282488E+00 Ellipticity -0.1248451E+01 Gb(Abramov) 0.1216937E-01 Vb(Abramov) -0.8896192E-02 Hb(Abramov) 0.3273181E-02 Ex_ueg -0.2090299E-02 Ec_ueg -0.4720774E-03 Delta_ex -0.3051534E-02 Delta_ec 0.7970005E-03 Delta_et -0.6012456E-02 Pxc 0.4427873E+01 Qxc -0.3828774E+01 3,+1 126 3 -1 -0.762365 -3.368092 -1.307021 Rho 0.3127231E+00 |GRAD(Rho)| 0.8919189E-15 GRAD(Rho)x 0.2479752E-15 GRAD(Rho)y 0.7050764E-15 GRAD(Rho)z 0.4867185E-15 Laplacian -0.1611990E+01 (-1/4)Del**2(Rho)) 0.4029976E+00 Diamond 0.5476894E+01 Metallicity -0.6159099E+01 Ellipticity 0.3575849E-02 Gb(Abramov) 0.1450186E+00 Vb(Abramov) -0.6930349E+00 Hb(Abramov) -0.5480162E+00 Ex_ueg -0.1567707E+00 Ec_ueg -0.1961135E-01 Delta_ex 0.1590942E+00 Delta_ec 0.5622105E-01 Delta_et -0.1322068E+01 Pxc 0.7993878E+01 Qxc 0.2829798E+01 3,-1 127 3 +1 0.345268 -1.772337 -0.719489 Rho 0.6869516E-02 |GRAD(Rho)| 0.2104293E-16 GRAD(Rho)x -0.9215718E-17 GRAD(Rho)y 0.1830269E-16 GRAD(Rho)z 0.4784042E-17 Laplacian 0.2808832E-01 (-1/4)Del**2(Rho)) -0.7022079E-02 Diamond 0.7943970E-03 Metallicity 0.6090193E+00 Ellipticity -0.1878655E+01 Gb(Abramov) 0.5394149E-02 Vb(Abramov) -0.3766220E-02 Hb(Abramov) 0.1627929E-02 Ex_ueg -0.9644653E-03 Ec_ueg -0.2282321E-03 Delta_ex -0.1359298E-02 Delta_ec 0.6565277E-03 Delta_et -0.4008823E-02 Pxc 0.4225809E+01 Qxc -0.2070435E+01 3,+1 128 3 +1 1.991602 -2.004581 2.037963 Rho 0.1217154E-01 |GRAD(Rho)| 0.2148418E-16 GRAD(Rho)x 0.7888464E-17 GRAD(Rho)y 0.1434270E-16 GRAD(Rho)z 0.1391507E-16 Laplacian 0.5698514E-01 (-1/4)Del**2(Rho)) -0.1424629E-01 Diamond 0.2013259E-02 Metallicity 0.7788027E+00 Ellipticity -0.1201211E+01 Gb(Abramov) 0.1134670E-01 Vb(Abramov) -0.8447110E-02 Hb(Abramov) 0.2899587E-02 Ex_ueg -0.2067819E-02 Ec_ueg -0.4674937E-03 Delta_ex -0.2722253E-02 Delta_ec 0.5801744E-03 Delta_et -0.4487091E-02 Pxc 0.4423201E+01 Qxc -0.4692129E+01 3,+1 129 3 -1 0.455907 -1.718820 1.659434 Rho 0.3761717E-01 |GRAD(Rho)| 0.2186238E-13 GRAD(Rho)x -0.6441614E-14 GRAD(Rho)y -0.1461521E-13 GRAD(Rho)z 0.1492866E-13 Laplacian 0.1538041E+00 (-1/4)Del**2(Rho)) -0.3845104E-01 Diamond 0.5416813E-01 Metallicity 0.1892149E+01 Ellipticity 0.1485959E-01 Gb(Abramov) 0.3775987E-01 Vb(Abramov) -0.3706871E-01 Hb(Abramov) 0.6911621E-03 Ex_ueg -0.9308934E-02 Ec_ueg -0.1742802E-02 Delta_ex -0.1186996E-01 Delta_ec 0.4728378E-02 Delta_et -0.4622751E-01 Pxc 0.5341360E+01 Qxc -0.2510367E+01 3,-1 130 3 -1 1.764871 -2.845222 -0.643998 Rho 0.2054442E+00 |GRAD(Rho)| 0.5644760E-15 GRAD(Rho)x -0.3546967E-15 GRAD(Rho)y -0.4980554E-16 GRAD(Rho)z -0.4362830E-15 Laplacian 0.7994719E+00 (-1/4)Del**2(Rho)) -0.1998680E+00 Diamond 0.2336869E+01 Metallicity 0.6165473E+01 Ellipticity 0.4930404E-02 Gb(Abramov) 0.3386254E+00 Vb(Abramov) -0.4773829E+00 Hb(Abramov) -0.1387575E+00 Ex_ueg -0.8953171E-01 Ec_ueg -0.1208317E-01 Delta_ex -0.9272798E-01 Delta_ec 0.1836724E-01 Delta_et -0.2519401E+00 Pxc 0.7409621E+01 Qxc -0.5048553E+01 3,-1 131 3 -1 1.943293 -2.984511 0.809287 Rho 0.1306382E+00 |GRAD(Rho)| 0.3047059E-15 GRAD(Rho)x 0.1581580E-15 GRAD(Rho)y -0.1202109E-15 GRAD(Rho)z -0.2310435E-15 Laplacian 0.5138582E+00 (-1/4)Del**2(Rho)) -0.1284646E+00 Diamond 0.8948843E+00 Metallicity 0.4510450E+01 Ellipticity 0.1866549E-01 Gb(Abramov) 0.1822152E+00 Vb(Abramov) -0.2359659E+00 Hb(Abramov) -0.5375065E-01 Ex_ueg -0.4895666E-01 Ec_ueg -0.7215853E-02 Delta_ex -0.5351093E-01 Delta_ec 0.1375901E-01 Delta_et -0.1799037E+00 Pxc 0.6784598E+01 Qxc -0.3889154E+01 3,-1 132 3 +3 -0.092977 -2.355149 -0.111755 Rho 0.4047381E-02 |GRAD(Rho)| 0.3212334E-17 GRAD(Rho)x -0.2216262E-17 GRAD(Rho)y 0.1908153E-17 GRAD(Rho)z 0.1328995E-17 Laplacian 0.1665812E-01 (-1/4)Del**2(Rho)) -0.4164530E-02 Diamond 0.1175185E-03 Metallicity 0.4252169E+00 Ellipticity -0.2866709E+00 Gb(Abramov) 0.3071492E-02 Vb(Abramov) -0.1978453E-02 Hb(Abramov) 0.1093039E-02 Ex_ueg -0.4763767E-03 Ec_ueg -0.1061509E-03 Delta_ex -0.5803504E-03 Delta_ec 0.1401461E-03 Delta_et -0.8723978E-03 Pxc 0.4487731E+01 Qxc -0.4141037E+01 3,+3 133 3 +1 1.087350 -2.131092 1.236958 Rho 0.2520248E-01 |GRAD(Rho)| 0.8209033E-16 GRAD(Rho)x 0.2729333E-16 GRAD(Rho)y -0.7312319E-16 GRAD(Rho)z 0.2543415E-16 Laplacian 0.1024725E+00 (-1/4)Del**2(Rho)) -0.2561812E-01 Diamond 0.1513530E-01 Metallicity 0.1456839E+01 Ellipticity -0.7994309E+01 Gb(Abramov) 0.2329899E-01 Vb(Abramov) -0.2097986E-01 Hb(Abramov) 0.2319128E-02 Ex_ueg -0.5457279E-02 Ec_ueg -0.1098914E-02 Delta_ex -0.6557105E-02 Delta_ec 0.2042620E-02 Delta_et -0.1799747E-01 Pxc 0.4966064E+01 Qxc -0.3210145E+01 3,+1 134 3 -1 3.181963 3.189260 0.077730 Rho 0.2490551E+00 |GRAD(Rho)| 0.4211517E-15 GRAD(Rho)x 0.1034329E-15 GRAD(Rho)y -0.3999622E-15 GRAD(Rho)z -0.8185726E-16 Laplacian 0.8963218E+00 (-1/4)Del**2(Rho)) -0.2240805E+00 Diamond 0.3315719E+01 Metallicity 0.7579519E+01 Ellipticity 0.1656725E-02 Gb(Abramov) 0.4324573E+00 Vb(Abramov) -0.6408341E+00 Hb(Abramov) -0.2083768E+00 Ex_ueg -0.1157299E+00 Ec_ueg -0.1506731E-01 Delta_ex -0.1093546E+00 Delta_ec 0.1959276E-01 Delta_et -0.2717335E+00 Pxc 0.7680861E+01 Qxc -0.5581378E+01 3,-1 135 3 -1 -3.203438 3.171578 -0.029964 Rho 0.2484802E+00 |GRAD(Rho)| 0.2882086E-10 GRAD(Rho)x -0.2005267E-10 GRAD(Rho)y 0.2000572E-10 GRAD(Rho)z -0.5320076E-11 Laplacian 0.9026336E+00 (-1/4)Del**2(Rho)) -0.2256584E+00 Diamond 0.3320998E+01 Metallicity 0.7497584E+01 Ellipticity 0.3370017E-02 Gb(Abramov) 0.4324211E+00 Vb(Abramov) -0.6391837E+00 Hb(Abramov) -0.2067627E+00 Ex_ueg -0.1153739E+00 Ec_ueg -0.1502729E-01 Delta_ex -0.1100132E+00 Delta_ec 0.1966471E-01 Delta_et -0.2723481E+00 Pxc 0.7677621E+01 Qxc -0.5594450E+01 3,-1 136 3 +1 -0.138757 -2.162704 -1.065324 Rho 0.7109785E-02 |GRAD(Rho)| 0.2070753E-12 GRAD(Rho)x -0.1970672E-12 GRAD(Rho)y -0.2613410E-13 GRAD(Rho)z 0.5798010E-13 Laplacian 0.2848477E-01 (-1/4)Del**2(Rho)) -0.7121192E-02 Diamond 0.9088060E-03 Metallicity 0.6359573E+00 Ellipticity -0.2290524E+01 Gb(Abramov) 0.5502257E-02 Vb(Abramov) -0.3883322E-02 Hb(Abramov) 0.1618935E-02 Ex_ueg -0.1009703E-02 Ec_ueg -0.2388056E-03 Delta_ex -0.1426711E-02 Delta_ec 0.7330750E-03 Delta_et -0.4486020E-02 Pxc 0.4228139E+01 Qxc -0.1946200E+01 3,+1 137 3 -1 -2.787981 1.778957 -0.534584 Rho 0.1393982E+00 |GRAD(Rho)| 0.6644747E-13 GRAD(Rho)x 0.8216233E-14 GRAD(Rho)y 0.4988809E-13 GRAD(Rho)z 0.4311541E-13 Laplacian 0.5885329E+00 (-1/4)Del**2(Rho)) -0.1471332E+00 Diamond 0.1092677E+01 Metallicity 0.4388044E+01 Ellipticity 0.1439707E-01 Gb(Abramov) 0.2056933E+00 Vb(Abramov) -0.2642534E+00 Hb(Abramov) -0.5856010E-01 Ex_ueg -0.5338197E-01 Ec_ueg -0.7768339E-02 Delta_ex -0.6208562E-01 Delta_ec 0.1521446E-01 Delta_et -0.2004107E+00 Pxc 0.6871735E+01 Qxc -0.4080698E+01 3,-1 138 3 -1 -0.211938 -1.418151 -3.249388 Rho 0.5150636E-02 |GRAD(Rho)| 0.4782776E-17 GRAD(Rho)x -0.3496552E-17 GRAD(Rho)y -0.2951063E-17 GRAD(Rho)z -0.1392946E-17 Laplacian 0.1998222E-01 (-1/4)Del**2(Rho)) -0.4995555E-02 Diamond 0.7188304E-03 Metallicity 0.5297499E+00 Ellipticity 0.1124747E+00 Gb(Abramov) 0.3771436E-02 Vb(Abramov) -0.2547317E-02 Hb(Abramov) 0.1224119E-02 Ex_ueg -0.6569509E-03 Ec_ueg -0.1534010E-03 Delta_ex -0.1207953E-02 Delta_ec 0.1001909E-02 Delta_et -0.5339744E-02 Pxc 0.4282571E+01 Qxc -0.1205651E+01 3,-1 139 3 +1 -1.555199 -1.877388 -1.866994 Rho 0.1040473E-01 |GRAD(Rho)| 0.9119066E-17 GRAD(Rho)x -0.6388534E-17 GRAD(Rho)y -0.5077063E-17 GRAD(Rho)z 0.4070311E-17 Laplacian 0.4688639E-01 (-1/4)Del**2(Rho)) -0.1172160E-01 Diamond 0.1307881E-02 Metallicity 0.7288160E+00 Ellipticity -0.1125141E+01 Gb(Abramov) 0.9238213E-02 Vb(Abramov) -0.6754829E-02 Hb(Abramov) 0.2483385E-02 Ex_ueg -0.1677618E-02 Ec_ueg -0.3864359E-03 Delta_ex -0.2137072E-02 Delta_ec 0.4604540E-03 Delta_et -0.3455282E-02 Pxc 0.4341256E+01 Qxc -0.4641227E+01 3,+1 140 3 +1 -0.283316 -1.243448 -2.505298 Rho 0.3605939E-02 |GRAD(Rho)| 0.4734628E-17 GRAD(Rho)x 0.1644091E-17 GRAD(Rho)y -0.1121048E-17 GRAD(Rho)z -0.4296151E-17 Laplacian 0.1434817E-01 (-1/4)Del**2(Rho)) -0.3587042E-02 Diamond 0.1448819E-03 Metallicity 0.4072371E+00 Ellipticity -0.1290838E+01 Gb(Abramov) 0.2634824E-02 Vb(Abramov) -0.1682606E-02 Hb(Abramov) 0.9522179E-03 Ex_ueg -0.4083910E-03 Ec_ueg -0.8742296E-04 Delta_ex -0.5691267E-03 Delta_ec 0.2702212E-03 Delta_et -0.1405015E-02 Pxc 0.4671439E+01 Qxc -0.2106152E+01 3,+1 141 3 -1 -0.463063 -0.364159 -0.363945 Rho 0.2077379E+00 |GRAD(Rho)| 0.1901531E-12 GRAD(Rho)x -0.1222955E-12 GRAD(Rho)y 0.7014625E-13 GRAD(Rho)z -0.1275990E-12 Laplacian 0.7775192E+00 (-1/4)Del**2(Rho)) -0.1943798E+00 Diamond 0.2551017E+01 Metallicity 0.6457954E+01 Ellipticity 0.2848500E-01 Gb(Abramov) 0.3388025E+00 Vb(Abramov) -0.4832252E+00 Hb(Abramov) -0.1444227E+00 Ex_ueg -0.9086698E-01 Ec_ueg -0.1223751E-01 Delta_ex -0.9203816E-01 Delta_ec 0.2066234E-01 Delta_et -0.2941514E+00 Pxc 0.7425284E+01 Qxc -0.4454391E+01 3,-1 142 3 -1 0.294566 0.345384 -0.374327 Rho 0.1989673E+00 |GRAD(Rho)| 0.3181957E-12 GRAD(Rho)x -0.1784785E-12 GRAD(Rho)y -0.1818392E-12 GRAD(Rho)z 0.1906003E-12 Laplacian 0.6857618E+00 (-1/4)Del**2(Rho)) -0.1714405E+00 Diamond 0.2170039E+01 Metallicity 0.6814114E+01 Ellipticity 0.8588313E-02 Gb(Abramov) 0.3089961E+00 Vb(Abramov) -0.4465518E+00 Hb(Abramov) -0.1375557E+00 Ex_ueg -0.8578816E-01 Ec_ueg -0.1164894E-01 Delta_ex -0.8053811E-01 Delta_ec 0.1883907E-01 Delta_et -0.2680316E+00 Pxc 0.7364462E+01 Qxc -0.4275057E+01 3,-1 143 3 -1 0.846180 1.918121 -2.962669 Rho 0.1363130E+00 |GRAD(Rho)| 0.1752564E-15 GRAD(Rho)x -0.5285486E-18 GRAD(Rho)y 0.1677803E-15 GRAD(Rho)z 0.5063902E-16 Laplacian 0.5424454E+00 (-1/4)Del**2(Rho)) -0.1356114E+00 Diamond 0.9853739E+00 Metallicity 0.4586548E+01 Ellipticity 0.2928990E-01 Gb(Abramov) 0.1940722E+00 Vb(Abramov) -0.2525331E+00 Hb(Abramov) -0.5846088E-01 Ex_ueg -0.5181253E-01 Ec_ueg -0.7573193E-02 Delta_ex -0.5696974E-01 Delta_ec 0.1419997E-01 Delta_et -0.1866082E+00 Pxc 0.6841570E+01 Qxc -0.4011961E+01 3,-1 144 3 -1 0.586643 1.826805 2.798979 Rho 0.1591388E+00 |GRAD(Rho)| 0.5345941E-15 GRAD(Rho)x -0.5235206E-15 GRAD(Rho)y 0.1721171E-16 GRAD(Rho)z -0.1068685E-15 Laplacian 0.6642497E+00 (-1/4)Del**2(Rho)) -0.1660624E+00 Diamond 0.1418567E+01 Metallicity 0.4848141E+01 Ellipticity 0.3400085E-01 Gb(Abramov) 0.2448906E+00 Vb(Abramov) -0.3237188E+00 Hb(Abramov) -0.7882821E-01 Ex_ueg -0.6369224E-01 Ec_ueg -0.9031072E-02 Delta_ex -0.7213777E-01 Delta_ec 0.1616794E-01 Delta_et -0.2158396E+00 Pxc 0.7052566E+01 Qxc -0.4461778E+01 3,-1 145 3 -1 3.286084 -0.027428 -3.198298 Rho 0.2378541E+00 |GRAD(Rho)| 0.4923085E-14 GRAD(Rho)x -0.4370148E-14 GRAD(Rho)y -0.2246128E-14 GRAD(Rho)z 0.3057450E-15 Laplacian 0.8337526E+00 (-1/4)Del**2(Rho)) -0.2084381E+00 Diamond 0.2944707E+01 Metallicity 0.7546757E+01 Ellipticity 0.6451107E-03 Gb(Abramov) 0.4011308E+00 Vb(Abramov) -0.5938234E+00 Hb(Abramov) -0.1926926E+00 Ex_ueg -0.1088427E+00 Ec_ueg -0.1429090E-01 Delta_ex -0.1006474E+00 Delta_ec 0.1873341E-01 Delta_et -0.2605699E+00 Pxc 0.7616223E+01 Qxc -0.5372616E+01 3,-1 146 3 -1 3.204940 0.000730 3.203834 Rho 0.2372802E+00 |GRAD(Rho)| 0.6336749E-14 GRAD(Rho)x -0.5168554E-14 GRAD(Rho)y -0.3067167E-14 GRAD(Rho)z -0.2008213E-14 Laplacian 0.8393803E+00 (-1/4)Del**2(Rho)) -0.2098451E+00 Diamond 0.2950685E+01 Metallicity 0.7466039E+01 Ellipticity 0.1695359E-02 Gb(Abramov) 0.4010153E+00 Vb(Abramov) -0.5921855E+00 Hb(Abramov) -0.1911702E+00 Ex_ueg -0.1084927E+00 Ec_ueg -0.1425130E-01 Delta_ex -0.1012345E+00 Delta_ec 0.1882214E-01 Delta_et -0.2615579E+00 Pxc 0.7612824E+01 Qxc -0.5378478E+01 3,-1 147 3 -1 2.998100 0.820016 -1.973093 Rho 0.1241451E+00 |GRAD(Rho)| 0.3421280E-15 GRAD(Rho)x -0.2585449E-15 GRAD(Rho)y -0.2240572E-15 GRAD(Rho)z -0.2107418E-17 Laplacian 0.5047138E+00 (-1/4)Del**2(Rho)) -0.1261785E+00 Diamond 0.8083281E+00 Metallicity 0.4218106E+01 Ellipticity 0.2387913E-01 Gb(Abramov) 0.1728246E+00 Vb(Abramov) -0.2194708E+00 Hb(Abramov) -0.4664619E-01 Ex_ueg -0.4573949E-01 Ec_ueg -0.6809609E-02 Delta_ex -0.5168545E-01 Delta_ec 0.1325624E-01 Delta_et -0.1711219E+00 Pxc 0.6716905E+01 Qxc -0.3898953E+01 3,-1 148 3 -1 2.778486 0.551177 1.840400 Rho 0.1230748E+00 |GRAD(Rho)| 0.1570933E-15 GRAD(Rho)x -0.2292071E-16 GRAD(Rho)y 0.1837045E-16 GRAD(Rho)z 0.1543226E-15 Laplacian 0.5183984E+00 (-1/4)Del**2(Rho)) -0.1295996E+00 Diamond 0.8246985E+00 Metallicity 0.4047913E+01 Ellipticity 0.1228639E-01 Gb(Abramov) 0.1738344E+00 Vb(Abramov) -0.2180692E+00 Hb(Abramov) -0.4423479E-01 Ex_ueg -0.4521443E-01 Ec_ueg -0.6742913E-02 Delta_ex -0.5301617E-01 Delta_ec 0.1371424E-01 Delta_et -0.1768997E+00 Pxc 0.6705475E+01 Qxc -0.3865775E+01 3,-1 149 3 -1 -2.994492 1.959841 0.876421 Rho 0.1478471E+00 |GRAD(Rho)| 0.4121760E-12 GRAD(Rho)x -0.1793990E-12 GRAD(Rho)y -0.2247450E-12 GRAD(Rho)z 0.2952875E-12 Laplacian 0.5851461E+00 (-1/4)Del**2(Rho)) -0.1462865E+00 Diamond 0.1172073E+01 Metallicity 0.4868219E+01 Ellipticity 0.3491093E-01 Gb(Abramov) 0.2162168E+00 Vb(Abramov) -0.2861471E+00 Hb(Abramov) -0.6993029E-01 Ex_ueg -0.5773893E-01 Ec_ueg -0.8305839E-02 Delta_ex -0.6268438E-01 Delta_ec 0.1502104E-01 Delta_et -0.1998282E+00 Pxc 0.6951607E+01 Qxc -0.4173105E+01 3,-1 150 3 -1 -0.824495 2.964347 1.988364 Rho 0.1156552E+00 |GRAD(Rho)| 0.1673342E-12 GRAD(Rho)x 0.1208020E-12 GRAD(Rho)y -0.4001877E-13 GRAD(Rho)z 0.1086560E-12 Laplacian 0.4552846E+00 (-1/4)Del**2(Rho)) -0.1138211E+00 Diamond 0.6709429E+00 Metallicity 0.4155329E+01 Ellipticity 0.2294347E-01 Gb(Abramov) 0.1547082E+00 Vb(Abramov) -0.1955952E+00 Hb(Abramov) -0.4088701E-01 Ex_ueg -0.4161711E-01 Ec_ueg -0.6282779E-02 Delta_ex -0.4585937E-01 Delta_ec 0.1219150E-01 Delta_et -0.1555210E+00 Pxc 0.6623997E+01 Qxc -0.3761584E+01 3,-1 151 3 -1 -1.559167 -2.699441 -2.366696 Rho 0.3216446E-01 |GRAD(Rho)| 0.1292570E-15 GRAD(Rho)x 0.7529826E-17 GRAD(Rho)y -0.7096968E-16 GRAD(Rho)z 0.1077682E-15 Laplacian 0.9575263E-01 (-1/4)Del**2(Rho)) -0.2393816E-01 Diamond 0.3962696E-01 Metallicity 0.2341116E+01 Ellipticity 0.3143695E-01 Gb(Abramov) 0.2529911E-01 Vb(Abramov) -0.2666005E-01 Hb(Abramov) -0.1360948E-02 Ex_ueg -0.7554751E-02 Ec_ueg -0.1455784E-02 Delta_ex -0.8073418E-02 Delta_ec 0.4660248E-02 Delta_et -0.4360992E-01 Pxc 0.5189473E+01 Qxc -0.1732401E+01 3,-1 152 3 +3 -0.198414 -0.492513 -2.641597 Rho 0.2953893E-02 |GRAD(Rho)| 0.2182582E-17 GRAD(Rho)x 0.7093901E-19 GRAD(Rho)y 0.2091960E-17 GRAD(Rho)z 0.6183341E-18 Laplacian 0.1169467E-01 (-1/4)Del**2(Rho)) -0.2923668E-02 Diamond 0.8620508E-04 Metallicity 0.3583299E+00 Ellipticity -0.7338222E+00 Gb(Abramov) 0.2123718E-02 Vb(Abramov) -0.1323769E-02 Hb(Abramov) 0.7999497E-03 Ex_ueg -0.3130243E-03 Ec_ueg -0.5995192E-04 Delta_ex -0.4368740E-03 Delta_ec 0.2065327E-03 Delta_et -0.1023959E-02 Pxc 0.5221256E+01 Qxc -0.2115278E+01 3,+3 153 3 -1 0.033111 -3.245089 -1.251959 Rho 0.3884674E-01 |GRAD(Rho)| 0.1969323E-12 GRAD(Rho)x 0.1788448E-12 GRAD(Rho)y -0.7096159E-13 GRAD(Rho)z -0.4196788E-13 Laplacian 0.1146182E+00 (-1/4)Del**2(Rho)) -0.2865456E-01 Diamond 0.6565063E-01 Metallicity 0.2678862E+01 Ellipticity 0.3570924E-02 Gb(Abramov) 0.3189664E-01 Vb(Abramov) -0.3513873E-01 Hb(Abramov) -0.3242084E-02 Ex_ueg -0.9716828E-02 Ec_ueg -0.1808340E-02 Delta_ex -0.1033265E-01 Delta_ec 0.6052660E-02 Delta_et -0.5993076E-01 Pxc 0.5373343E+01 Qxc -0.1707126E+01 3,-1 154 3 -1 -0.079319 -3.200452 3.179796 Rho 0.2378341E+00 |GRAD(Rho)| 0.2425458E-14 GRAD(Rho)x -0.1594577E-14 GRAD(Rho)y -0.1802215E-14 GRAD(Rho)z 0.3036308E-15 Laplacian 0.8487183E+00 (-1/4)Del**2(Rho)) -0.2121796E+00 Diamond 0.2985254E+01 Metallicity 0.7412643E+01 Ellipticity 0.1826751E-02 Gb(Abramov) 0.4035883E+00 Vb(Abramov) -0.5949970E+00 Hb(Abramov) -0.1914087E+00 Ex_ueg -0.1088305E+00 Ec_ueg -0.1428952E-01 Delta_ex -0.1023871E+00 Delta_ec 0.1895464E-01 Delta_et -0.2631493E+00 Pxc 0.7616105E+01 Qxc -0.5401688E+01 3,-1 155 3 -1 -0.603546 -2.775574 1.819405 Rho 0.1448124E+00 |GRAD(Rho)| 0.4911708E-15 GRAD(Rho)x -0.4728070E-15 GRAD(Rho)y -0.5592450E-16 GRAD(Rho)z -0.1207259E-15 Laplacian 0.6095333E+00 (-1/4)Del**2(Rho)) -0.1523833E+00 Diamond 0.1166457E+01 Metallicity 0.4514664E+01 Ellipticity 0.2778842E-01 Gb(Abramov) 0.2162488E+00 Vb(Abramov) -0.2801143E+00 Hb(Abramov) -0.6386548E-01 Ex_ueg -0.5616419E-01 Ec_ueg -0.8112266E-02 Delta_ex -0.6471149E-01 Delta_ec 0.1527173E-01 Delta_et -0.2015625E+00 Pxc 0.6923367E+01 Qxc -0.4237339E+01 3,-1 156 3 +1 0.310846 -1.486978 -1.664699 Rho 0.5220671E-02 |GRAD(Rho)| 0.9025114E-17 GRAD(Rho)x 0.1260385E-17 GRAD(Rho)y -0.8931115E-17 GRAD(Rho)z -0.3150963E-18 Laplacian 0.2100556E-01 (-1/4)Del**2(Rho)) -0.5251390E-02 Diamond 0.4766514E-03 Metallicity 0.5154138E+00 Ellipticity -0.2223412E+01 Gb(Abramov) 0.3952033E-02 Vb(Abramov) -0.2652676E-02 Hb(Abramov) 0.1299357E-02 Ex_ueg -0.6688881E-03 Ec_ueg -0.1564215E-03 Delta_ex -0.1015900E-02 Delta_ec 0.5949561E-03 Delta_et -0.3300021E-02 Pxc 0.4276191E+01 Qxc -0.1707521E+01 3,+1 157 3 -1 1.687025 -0.545838 1.671839 Rho 0.3219266E-01 |GRAD(Rho)| 0.6662267E-13 GRAD(Rho)x 0.4547285E-13 GRAD(Rho)y 0.1949957E-13 GRAD(Rho)z 0.4461577E-13 Laplacian 0.1311387E+00 (-1/4)Del**2(Rho)) -0.3278469E-01 Diamond 0.3711405E-01 Metallicity 0.1711894E+01 Ellipticity 0.2567588E-01 Gb(Abramov) 0.3121044E-01 Vb(Abramov) -0.2963620E-01 Hb(Abramov) 0.1574246E-02 Ex_ueg -0.7563581E-02 Ec_ueg -0.1457252E-02 Delta_ex -0.9724006E-02 Delta_ec 0.3998812E-02 Delta_et -0.3745193E-01 Pxc 0.5190305E+01 Qxc -0.2431724E+01 3,-1 158 3 -1 1.969365 2.948104 -0.838663 Rho 0.1355625E+00 |GRAD(Rho)| 0.3654651E-15 GRAD(Rho)x -0.3367125E-15 GRAD(Rho)y 0.1026672E-15 GRAD(Rho)z -0.9822872E-16 Laplacian 0.5403707E+00 (-1/4)Del**2(Rho)) -0.1350927E+00 Diamond 0.9759003E+00 Metallicity 0.4561987E+01 Ellipticity 0.2136364E-01 Gb(Abramov) 0.1927770E+00 Vb(Abramov) -0.2504612E+00 Hb(Abramov) -0.5768428E-01 Ex_ueg -0.5143253E-01 Ec_ueg -0.7525814E-02 Delta_ex -0.5668497E-01 Delta_ec 0.1418045E-01 Delta_et -0.1862215E+00 Pxc 0.6834148E+01 Qxc -0.3997403E+01 3,-1 159 3 -1 1.786063 2.792969 0.574354 Rho 0.1434319E+00 |GRAD(Rho)| 0.3099251E-13 GRAD(Rho)x 0.2337018E-13 GRAD(Rho)y -0.5093331E-14 GRAD(Rho)z -0.1970859E-13 Laplacian 0.6010254E+00 (-1/4)Del**2(Rho)) -0.1502563E+00 Diamond 0.1156313E+01 Metallicity 0.4506055E+01 Ellipticity 0.1190580E-01 Gb(Abramov) 0.2130148E+00 Vb(Abramov) -0.2757732E+00 Hb(Abramov) -0.6275844E-01 Ex_ueg -0.5545141E-01 Ec_ueg -0.8024394E-02 Delta_ex -0.6386234E-01 Delta_ec 0.1545867E-01 Delta_et -0.2045588E+00 Pxc 0.6910355E+01 Qxc -0.4131167E+01 3,-1 160 3 -1 3.133154 -3.232248 -0.123016 Rho 0.2435916E+00 |GRAD(Rho)| 0.1125805E-13 GRAD(Rho)x 0.9744592E-14 GRAD(Rho)y -0.1768334E-15 GRAD(Rho)z 0.5635181E-14 Laplacian 0.8877165E+00 (-1/4)Del**2(Rho)) -0.2219291E+00 Diamond 0.3190957E+01 Metallicity 0.7375241E+01 Ellipticity 0.8820557E-02 Gb(Abramov) 0.4207495E+00 Vb(Abramov) -0.6195699E+00 Hb(Abramov) -0.1988204E+00 Ex_ueg -0.1123574E+00 Ec_ueg -0.1468775E-01 Delta_ex -0.1076439E+00 Delta_ec 0.1947468E-01 Delta_et -0.2696651E+00 Pxc 0.7649735E+01 Qxc -0.5527376E+01 3,-1 161 3 -1 1.624156 -1.725921 0.409278 Rho 0.4082689E-01 |GRAD(Rho)| 0.3260809E-16 GRAD(Rho)x -0.2337536E-16 GRAD(Rho)y -0.2260117E-16 GRAD(Rho)z -0.2463172E-17 Laplacian 0.1588141E+00 (-1/4)Del**2(Rho)) -0.3970353E-01 Diamond 0.6076524E-01 Metallicity 0.2100396E+01 Ellipticity 0.9370275E-02 Gb(Abramov) 0.4036788E-01 Vb(Abramov) -0.4103223E-01 Hb(Abramov) -0.6643486E-03 Ex_ueg -0.1038278E-01 Ec_ueg -0.1914475E-02 Delta_ex -0.1240681E-01 Delta_ec 0.4703355E-02 Delta_et -0.4699688E-01 Pxc 0.5423303E+01 Qxc -0.2637863E+01 3,-1 162 3 -1 -2.159748 -0.903520 -3.022949 Rho 0.1522184E+00 |GRAD(Rho)| 0.3315230E-13 GRAD(Rho)x -0.1364700E-13 GRAD(Rho)y 0.2800161E-13 GRAD(Rho)z 0.1134656E-13 Laplacian 0.5803632E+00 (-1/4)Del**2(Rho)) -0.1450908E+00 Diamond 0.1221659E+01 Metallicity 0.5152587E+01 Ellipticity 0.1225607E+00 Gb(Abramov) 0.2213260E+00 Vb(Abramov) -0.2975613E+00 Hb(Abramov) -0.7623523E-01 Ex_ueg -0.6002627E-01 Ec_ueg -0.8585676E-02 Delta_ex -0.6279168E-01 Delta_ec 0.1510099E-01 Delta_et -0.2024435E+00 Pxc 0.6991443E+01 Qxc -0.4158116E+01 3,-1 163 3 +3 -1.698261 -1.862704 -1.847580 Rho 0.1037525E-01 |GRAD(Rho)| 0.1728771E-16 GRAD(Rho)x -0.3948656E-17 GRAD(Rho)y 0.4510381E-17 GRAD(Rho)z -0.1621510E-16 Laplacian 0.4670950E-01 (-1/4)Del**2(Rho)) -0.1167737E-01 Diamond 0.1017356E-02 Metallicity 0.7281239E+00 Ellipticity -0.8609966E+00 Gb(Abramov) 0.9202012E-02 Vb(Abramov) -0.6726650E-02 Hb(Abramov) 0.2475362E-02 Ex_ueg -0.1671281E-02 Ec_ueg -0.3850940E-03 Delta_ex -0.2028957E-02 Delta_ec 0.2830035E-03 Delta_et -0.2313507E-02 Pxc 0.4339932E+01 Qxc -0.7169370E+01 3,+3 164 3 -1 -2.785298 -0.561130 1.862439 Rho 0.1388553E+00 |GRAD(Rho)| 0.2241988E-15 GRAD(Rho)x 0.4984619E-16 GRAD(Rho)y 0.2072588E-15 GRAD(Rho)z 0.6945670E-16 Laplacian 0.5847463E+00 (-1/4)Del**2(Rho)) -0.1461866E+00 Diamond 0.1086855E+01 Metallicity 0.4387829E+01 Ellipticity 0.1007572E-01 Gb(Abramov) 0.2043647E+00 Vb(Abramov) -0.2625428E+00 Hb(Abramov) -0.5817809E-01 Ex_ueg -0.5310494E-01 Ec_ueg -0.7733954E-02 Delta_ex -0.6169702E-01 Delta_ec 0.1525482E-01 Delta_et -0.2010782E+00 Pxc 0.6866467E+01 Qxc -0.4044429E+01 3,-1 165 3 -1 -0.586741 -1.811738 2.794847 Rho 0.1219096E+00 |GRAD(Rho)| 0.2660143E-15 GRAD(Rho)x 0.2424683E-15 GRAD(Rho)y -0.8710887E-16 GRAD(Rho)z 0.6621765E-16 Laplacian 0.5107037E+00 (-1/4)Del**2(Rho)) -0.1276759E+00 Diamond 0.8008384E+00 Metallicity 0.4044274E+01 Ellipticity 0.2096765E-02 Gb(Abramov) 0.1711767E+00 Vb(Abramov) -0.2146775E+00 Hb(Abramov) -0.4350077E-01 Ex_ueg -0.4464460E-01 Ec_ueg -0.6670400E-02 Delta_ex -0.5207913E-01 Delta_ec 0.1348515E-01 Delta_et -0.1735687E+00 Pxc 0.6692942E+01 Qxc -0.3861962E+01 3,-1 166 3 -1 -1.764930 -0.469384 -1.676172 Rho 0.4604343E-01 |GRAD(Rho)| 0.2997854E-13 GRAD(Rho)x -0.2971029E-14 GRAD(Rho)y -0.2105374E-13 GRAD(Rho)z 0.2113352E-13 Laplacian 0.1831688E+00 (-1/4)Del**2(Rho)) -0.4579219E-01 Diamond 0.8343786E-01 Metallicity 0.2225228E+01 Ellipticity 0.1413130E-01 Gb(Abramov) 0.4751114E-01 Vb(Abramov) -0.4923009E-01 Hb(Abramov) -0.1718949E-02 Ex_ueg -0.1218827E-01 Ec_ueg -0.2197365E-02 Delta_ex -0.1478890E-01 Delta_ec 0.5497859E-02 Delta_et -0.5673944E-01 Pxc 0.5546764E+01 Qxc -0.2689938E+01 3,-1 167 3 -1 -1.808492 -0.559907 2.829725 Rho 0.1546124E+00 |GRAD(Rho)| 0.4220511E-15 GRAD(Rho)x 0.2964209E-15 GRAD(Rho)y -0.2744116E-15 GRAD(Rho)z 0.1223116E-15 Laplacian 0.6468668E+00 (-1/4)Del**2(Rho)) -0.1617167E+00 Diamond 0.1358352E+01 Metallicity 0.4744667E+01 Ellipticity 0.2001066E-01 Gb(Abramov) 0.2356931E+00 Vb(Abramov) -0.3096695E+00 Hb(Abramov) -0.7397641E-01 Ex_ueg -0.6128831E-01 Ec_ueg -0.8739428E-02 Delta_ex -0.6997717E-01 Delta_ec 0.1627040E-01 Delta_et -0.2174437E+00 Pxc 0.7012852E+01 Qxc -0.4300887E+01 3,-1 168 3 -1 0.830692 -2.970850 1.991656 Rho 0.1418222E+00 |GRAD(Rho)| 0.2541781E-15 GRAD(Rho)x -0.2169217E-15 GRAD(Rho)y -0.3178068E-16 GRAD(Rho)z 0.1286135E-15 Laplacian 0.5618053E+00 (-1/4)Del**2(Rho)) -0.1404513E+00 Diamond 0.1054296E+01 Metallicity 0.4730800E+01 Ellipticity 0.5859304E-01 Gb(Abramov) 0.2043754E+00 Vb(Abramov) -0.2682995E+00 Hb(Abramov) -0.6392408E-01 Ex_ueg -0.5462325E-01 Ec_ueg -0.7922093E-02 Delta_ex -0.5940193E-01 Delta_ec 0.1425973E-01 Delta_et -0.1878907E+00 Pxc 0.6895053E+01 Qxc -0.4165712E+01 3,-1 169 3 -1 1.176423 -2.328591 -2.004485 Rho 0.5241836E-01 |GRAD(Rho)| 0.1119380E-15 GRAD(Rho)x 0.1760114E-16 GRAD(Rho)y 0.5020204E-16 GRAD(Rho)z -0.9848895E-16 Laplacian 0.1315767E+00 (-1/4)Del**2(Rho)) -0.3289417E-01 Diamond 0.1145182E+00 Metallicity 0.3845091E+01 Ellipticity 0.1413332E-01 Gb(Abramov) 0.4300963E-01 Vb(Abramov) -0.5312508E-01 Hb(Abramov) -0.1011546E-01 Ex_ueg -0.1448871E-01 Ec_ueg -0.2548982E-02 Delta_ex -0.1271637E-01 Delta_ec 0.7054549E-02 Delta_et -0.7633072E-01 Pxc 0.5684116E+01 Qxc -0.1802577E+01 3,-1 170 3 -1 0.798263 -1.969446 2.976904 Rho 0.1243718E+00 |GRAD(Rho)| 0.2103810E-15 GRAD(Rho)x 0.6190117E-16 GRAD(Rho)y -0.7833361E-16 GRAD(Rho)z 0.1851817E-15 Laplacian 0.4893645E+00 (-1/4)Del**2(Rho)) -0.1223411E+00 Diamond 0.7879422E+00 Metallicity 0.4363659E+01 Ellipticity 0.3383155E-01 Gb(Abramov) 0.1705366E+00 Vb(Abramov) -0.2187320E+00 Hb(Abramov) -0.4819545E-01 Ex_ueg -0.4585089E-01 Ec_ueg -0.6823745E-02 Delta_ex -0.5016723E-01 Delta_ec 0.1290407E-01 Delta_et -0.1667261E+00 Pxc 0.6719315E+01 Qxc -0.3887705E+01 3,-1 171 3 -1 1.966891 -0.850007 2.990618 Rho 0.1431853E+00 |GRAD(Rho)| 0.1116887E-11 GRAD(Rho)x -0.6746981E-12 GRAD(Rho)y -0.7485707E-12 GRAD(Rho)z 0.4815187E-12 Laplacian 0.5610715E+00 (-1/4)Del**2(Rho)) -0.1402679E+00 Diamond 0.1069582E+01 Metallicity 0.4813111E+01 Ellipticity 0.4753385E-01 Gb(Abramov) 0.2060327E+00 Vb(Abramov) -0.2717976E+00 Hb(Abramov) -0.6576486E-01 Ex_ueg -0.5532437E-01 Ec_ueg -0.8008715E-02 Delta_ex -0.5951106E-01 Delta_ec 0.1429264E-01 Delta_et -0.1887706E+00 Pxc 0.6908021E+01 Qxc -0.4163757E+01 3,-1 172 3 -1 1.954589 -0.649019 -2.826793 Rho 0.1494690E+00 |GRAD(Rho)| 0.1892077E-13 GRAD(Rho)x -0.1674079E-13 GRAD(Rho)y -0.4353153E-14 GRAD(Rho)z 0.7667566E-14 Laplacian 0.5650851E+00 (-1/4)Del**2(Rho)) -0.1412713E+00 Diamond 0.1151011E+01 Metallicity 0.5133552E+01 Ellipticity 0.1162674E+00 Gb(Abramov) 0.2150514E+00 Vb(Abramov) -0.2888316E+00 Hb(Abramov) -0.7378016E-01 Ex_ueg -0.5858503E-01 Ec_ueg -0.8409533E-02 Delta_ex -0.6073938E-01 Delta_ec 0.1454194E-01 Delta_et -0.1939263E+00 Pxc 0.6966503E+01 Qxc -0.4176843E+01 3,-1 173 3 -1 -2.798835 0.558188 -1.790681 Rho 0.1422932E+00 |GRAD(Rho)| 0.1830860E-15 GRAD(Rho)x 0.9385125E-16 GRAD(Rho)y -0.6777619E-16 GRAD(Rho)z -0.1418407E-15 Laplacian 0.6056725E+00 (-1/4)Del**2(Rho)) -0.1514181E+00 Diamond 0.1155252E+01 Metallicity 0.4412475E+01 Ellipticity 0.6272229E-02 Gb(Abramov) 0.2123002E+00 Vb(Abramov) -0.2731822E+00 Hb(Abramov) -0.6088206E-01 Ex_ueg -0.5486523E-01 Ec_ueg -0.7952007E-02 Delta_ex -0.6424282E-01 Delta_ec 0.1562963E-01 Delta_et -0.2066220E+00 Pxc 0.6899545E+01 Qxc -0.4110323E+01 3,-1 174 3 -1 -2.982751 0.843836 2.015892 Rho 0.1368871E+00 |GRAD(Rho)| 0.2745689E-15 GRAD(Rho)x 0.1014610E-15 GRAD(Rho)y -0.1534146E-15 GRAD(Rho)z 0.2038571E-15 Laplacian 0.5454762E+00 (-1/4)Del**2(Rho)) -0.1363690E+00 Diamond 0.9940955E+00 Metallicity 0.4593125E+01 Ellipticity 0.2837949E-01 Gb(Abramov) 0.1953061E+00 Vb(Abramov) -0.2542431E+00 Hb(Abramov) -0.5893701E-01 Ex_ueg -0.5210369E-01 Ec_ueg -0.7609460E-02 Delta_ex -0.5732617E-01 Delta_ec 0.1422869E-01 Delta_et -0.1870362E+00 Pxc 0.6847225E+01 Qxc -0.4028914E+01 3,-1 175 3 -1 -1.819207 0.538762 -2.795578 Rho 0.1521507E+00 |GRAD(Rho)| 0.6230533E-09 GRAD(Rho)x 0.4621020E-09 GRAD(Rho)y 0.3899199E-09 GRAD(Rho)z -0.1503979E-09 Laplacian 0.6382221E+00 (-1/4)Del**2(Rho)) -0.1595555E+00 Diamond 0.1320829E+01 Metallicity 0.4681997E+01 Ellipticity 0.1094336E-01 Gb(Abramov) 0.2308768E+00 Vb(Abramov) -0.3021980E+00 Hb(Abramov) -0.7132125E-01 Ex_ueg -0.5999065E-01 Ec_ueg -0.8581331E-02 Delta_ex -0.6883004E-01 Delta_ec 0.1622605E-01 Delta_et -0.2166376E+00 Pxc 0.6990834E+01 Qxc -0.4241946E+01 3,-1 176 3 -1 -1.986919 0.874193 3.017236 Rho 0.1492172E+00 |GRAD(Rho)| 0.3583489E-12 GRAD(Rho)x -0.2122150E-12 GRAD(Rho)y -0.2632330E-12 GRAD(Rho)z -0.1186892E-12 Laplacian 0.5930335E+00 (-1/4)Del**2(Rho)) -0.1482584E+00 Diamond 0.1198721E+01 Metallicity 0.4877889E+01 Ellipticity 0.4169399E-01 Gb(Abramov) 0.2193703E+00 Vb(Abramov) -0.2904821E+00 Hb(Abramov) -0.7111186E-01 Ex_ueg -0.5845345E-01 Ec_ueg -0.8393421E-02 Delta_ex -0.6364919E-01 Delta_ec 0.1514619E-01 Delta_et -0.2016617E+00 Pxc 0.6964199E+01 Qxc -0.4202323E+01 3,-1 177 3 -1 2.772238 -1.822250 -0.612299 Rho 0.1467482E+00 |GRAD(Rho)| 0.4177959E-15 GRAD(Rho)x -0.9248245E-16 GRAD(Rho)y -0.2047787E-15 GRAD(Rho)z 0.3522302E-15 Laplacian 0.6057315E+00 (-1/4)Del**2(Rho)) -0.1514329E+00 Diamond 0.1200897E+01 Metallicity 0.4644666E+01 Ellipticity 0.1289319E-01 Gb(Abramov) 0.2181811E+00 Vb(Abramov) -0.2849293E+00 Hb(Abramov) -0.6674823E-01 Ex_ueg -0.5716746E-01 Ec_ueg -0.8235680E-02 Delta_ex -0.6475494E-01 Delta_ec 0.1554903E-01 Delta_et -0.2065654E+00 Pxc 0.6941438E+01 Qxc -0.4164565E+01 3,-1 178 3 -1 2.970034 1.966047 -0.809474 Rho 0.1513359E+00 |GRAD(Rho)| 0.4096526E-13 GRAD(Rho)x -0.1971099E-13 GRAD(Rho)y -0.3296483E-13 GRAD(Rho)z -0.1424604E-13 Laplacian 0.6036979E+00 (-1/4)Del**2(Rho)) -0.1509245E+00 Diamond 0.1241820E+01 Metallicity 0.4905653E+01 Ellipticity 0.3272340E-01 Gb(Abramov) 0.2240135E+00 Vb(Abramov) -0.2971025E+00 Hb(Abramov) -0.7308903E-01 Ex_ueg -0.5956271E-01 Ec_ueg -0.8529087E-02 Delta_ex -0.6502546E-01 Delta_ec 0.1537711E-01 Delta_et -0.2051697E+00 Pxc 0.6983480E+01 Qxc -0.4228719E+01 3,-1 179 3 -1 -0.836181 2.003062 2.996954 Rho 0.1263139E+00 |GRAD(Rho)| 0.2332978E-15 GRAD(Rho)x -0.2272217E-15 GRAD(Rho)y -0.4886364E-16 GRAD(Rho)z 0.2026103E-16 Laplacian 0.4979726E+00 (-1/4)Del**2(Rho)) -0.1244931E+00 Diamond 0.8163871E+00 Metallicity 0.4400409E+01 Ellipticity 0.3744080E-01 Gb(Abramov) 0.1742989E+00 Vb(Abramov) -0.2241046E+00 Hb(Abramov) -0.4980574E-01 Ex_ueg -0.4680799E-01 Ec_ueg -0.6944985E-02 Delta_ex -0.5123398E-01 Delta_ec 0.1307200E-01 Delta_et -0.1693124E+00 Pxc 0.6739825E+01 Qxc -0.3919367E+01 3,-1 180 3 -1 -0.586512 2.725951 -1.803406 Rho 0.1500436E+00 |GRAD(Rho)| 0.4680010E-14 GRAD(Rho)x 0.3304323E-14 GRAD(Rho)y -0.4464541E-15 GRAD(Rho)z -0.3283994E-14 Laplacian 0.6343567E+00 (-1/4)Del**2(Rho)) -0.1585892E+00 Diamond 0.1284205E+01 Metallicity 0.4602308E+01 Ellipticity 0.1429925E-01 Gb(Abramov) 0.2273721E+00 Vb(Abramov) -0.2961551E+00 Hb(Abramov) -0.6878297E-01 Ex_ueg -0.5888552E-01 Ec_ueg -0.8446308E-02 Delta_ex -0.6811119E-01 Delta_ec 0.1606249E-01 Delta_et -0.2137595E+00 Pxc 0.6971747E+01 Qxc -0.4240389E+01 3,-1 181 3 -1 -1.594337 -2.169419 -3.028072 Rho 0.3181750E+00 |GRAD(Rho)| 0.5057936E-12 GRAD(Rho)x 0.1516773E-12 GRAD(Rho)y 0.1587543E-12 GRAD(Rho)z -0.4556514E-12 Laplacian -0.1621079E+01 (-1/4)Del**2(Rho)) 0.4052698E+00 Diamond 0.5635670E+01 Metallicity -0.6303557E+01 Ellipticity 0.1229803E-02 Gb(Abramov) 0.1555936E+00 Vb(Abramov) -0.7164570E+00 Hb(Abramov) -0.5608634E+00 Ex_ueg -0.1604254E+00 Ec_ueg -0.2001088E-01 Delta_ex 0.1610365E+00 Delta_ec 0.5661712E-01 Delta_et -0.1340600E+01 Pxc 0.8016907E+01 Qxc 0.2844307E+01 3,-1 182 3 -1 1.694856 0.479145 -1.716562 Rho 0.2985504E-01 |GRAD(Rho)| 0.3097725E-12 GRAD(Rho)x 0.2392886E-12 GRAD(Rho)y -0.1789985E-12 GRAD(Rho)z -0.8160577E-13 Laplacian 0.1205759E+00 (-1/4)Del**2(Rho)) -0.3014397E-01 Diamond 0.3046779E-01 Metallicity 0.1642034E+01 Ellipticity 0.3379418E-01 Gb(Abramov) 0.2834555E-01 Vb(Abramov) -0.2654713E-01 Hb(Abramov) 0.1798419E-02 Ex_ueg -0.6840302E-02 Ec_ueg -0.1336132E-02 Delta_ex -0.8750805E-02 Delta_ec 0.3627044E-02 Delta_et -0.3326695E-01 Pxc 0.5119479E+01 Qxc -0.2412655E+01 3,-1 183 3 -1 0.570754 2.796846 1.812974 Rho 0.1333994E+00 |GRAD(Rho)| 0.3922130E-15 GRAD(Rho)x 0.2280077E-15 GRAD(Rho)y 0.1262994E-15 GRAD(Rho)z -0.2930734E-15 Laplacian 0.5563607E+00 (-1/4)Del**2(Rho)) -0.1390902E+00 Diamond 0.9714993E+00 Metallicity 0.4313669E+01 Ellipticity 0.7934674E-02 Gb(Abramov) 0.1927249E+00 Vb(Abramov) -0.2463597E+00 Hb(Abramov) -0.5363476E-01 Ex_ueg -0.5034122E-01 Ec_ueg -0.7389466E-02 Delta_ex -0.5797220E-01 Delta_ec 0.1436440E-01 Delta_et -0.1875942E+00 Pxc 0.6812566E+01 Qxc -0.4035824E+01 3,-1 184 3 -1 0.840536 2.929503 -1.973713 Rho 0.1493796E+00 |GRAD(Rho)| 0.7309779E-15 GRAD(Rho)x -0.7048940E-15 GRAD(Rho)y -0.9538269E-16 GRAD(Rho)z 0.1683901E-15 Laplacian 0.5962752E+00 (-1/4)Del**2(Rho)) -0.1490688E+00 Diamond 0.1206032E+01 Metallicity 0.4860174E+01 Ellipticity 0.4300804E-01 Gb(Abramov) 0.2201292E+00 Vb(Abramov) -0.2911897E+00 Hb(Abramov) -0.7106045E-01 Ex_ueg -0.5853829E-01 Ec_ueg -0.8403810E-02 Delta_ex -0.6400601E-01 Delta_ec 0.1521028E-01 Delta_et -0.2025127E+00 Pxc 0.6965685E+01 Qxc -0.4208077E+01 3,-1 185 3 -1 1.825641 0.548321 2.787817 Rho 0.1043464E+00 |GRAD(Rho)| 0.1390945E-15 GRAD(Rho)x 0.2507218E-17 GRAD(Rho)y 0.1067871E-15 GRAD(Rho)z -0.8909262E-16 Laplacian 0.4343248E+00 (-1/4)Del**2(Rho)) -0.1085812E+00 Diamond 0.5668947E+00 Metallicity 0.3669396E+01 Ellipticity 0.1309310E-01 Gb(Abramov) 0.1387920E+00 Vb(Abramov) -0.1690029E+00 Hb(Abramov) -0.3021084E-01 Ex_ueg -0.3628178E-01 Ec_ueg -0.5589088E-02 Delta_ex -0.4272089E-01 Delta_ec 0.1194758E-01 Delta_et -0.1495900E+00 Pxc 0.6491539E+01 Qxc -0.3575695E+01 3,-1 186 3 -1 1.195954 -1.821456 -2.566295 Rho 0.3015905E+00 |GRAD(Rho)| 0.2556151E-12 GRAD(Rho)x -0.1299326E-12 GRAD(Rho)y 0.2198691E-12 GRAD(Rho)z -0.1068548E-13 Laplacian -0.1478605E+01 (-1/4)Del**2(Rho)) 0.3696512E+00 Diamond 0.4998522E+01 Metallicity -0.6321069E+01 Ellipticity 0.3944764E-02 Gb(Abramov) 0.1429977E+00 Vb(Abramov) -0.6556465E+00 Hb(Abramov) -0.5126489E+00 Ex_ueg -0.1493741E+00 Ec_ueg -0.1880067E-01 Delta_ex 0.1431200E+00 Delta_ec 0.5290098E-01 Delta_et -0.1220929E+01 Pxc 0.7945149E+01 Qxc 0.2705432E+01 3,-1 187 3 -1 2.764357 1.814532 0.609255 Rho 0.1537255E+00 |GRAD(Rho)| 0.1936381E-15 GRAD(Rho)x 0.8222996E-16 GRAD(Rho)y -0.5136408E-16 GRAD(Rho)z 0.1676177E-15 Laplacian 0.6486166E+00 (-1/4)Del**2(Rho)) -0.1621542E+00 Diamond 0.1354694E+01 Metallicity 0.4686713E+01 Ellipticity 0.1323359E-01 Gb(Abramov) 0.2347644E+00 Vb(Abramov) -0.3073747E+00 Hb(Abramov) -0.7261028E-01 Ex_ueg -0.6081999E-01 Ec_ueg -0.8682426E-02 Delta_ex -0.7008664E-01 Delta_ec 0.1637316E-01 Delta_et -0.2187325E+00 Pxc 0.7004954E+01 Qxc -0.4280581E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 129 165 155 170 168 154 96 141 142 74 86 85 180 143 184 82 87 144 183 179 150 84 161 177 130 113 131 160 102 187 159 178 158 134 62 137 66 149 67 135 124 117 120 116 118 115 166 173 175 55 162 57 95 164 167 174 176 59 157 148 185 109 171 146 182 110 172 147 99 145 90 122 138 186 153 169 181 151 126 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 14 14 21 21 28 28 36 37 37 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 21 28 36 54 53 54 52 52 53 2.470353 1.971216 1.901722 1.974179 1.920698 1.720256 1.560979 1.544551 1.565174 1.572045 2.389011 1.951254 1.911738 1.960579 1.923770 1.729824 2.468605 1.865721 1.935287 1.967861 2.004611 1.721770 2.455846 1.922767 1.801784 2.099829 1.977953 1.738201 2.505247 1.902166 1.930568 1.918851 1.962380 1.729889 2.446519 1.940743 1.957200 1.928312 1.904642 1.730626 2.395757 1.920914 1.976152 1.898647 1.960120 1.730819 2.400440 1.932970 1.906361 1.990397 1.924694 1.730383 2.441866 1.943026 1.901122 1.958583 1.925126 1.730565 2.536308 1.965732 2.034658 1.849705 1.917386 1.721323 2.570818 1.955408 1.906505 1.972168 1.931940 1.720636 3.295196 3.138143 3.216119 1.012818 1.745852 1.641401 0.996458 1.862854 1.003240 2.471417 1.971783 1.902339 1.975026 1.921486 1.720267 1.561013 1.544673 1.565228 1.572049 2.390362 1.951651 1.912137 1.961198 1.924387 1.729826 2.469661 1.866268 1.935775 1.968653 2.005539 1.721775 2.456889 1.923158 1.801892 2.100401 1.978563 1.738219 2.506289 1.902607 1.931054 1.919424 1.963023 1.729890 2.447630 1.941191 1.957593 1.928916 1.905232 1.730631 2.397259 1.921410 1.976588 1.899248 1.961434 1.730821 2.401809 1.933329 1.906717 1.991020 1.926061 1.730386 2.442957 1.943452 1.901614 1.959201 1.925698 1.730568 2.537330 1.966332 2.035292 1.850270 1.918093 1.721336 2.571704 1.956066 1.907928 1.973000 1.932710 1.720645 3.337232 3.139604 3.219287 1.012920 1.746904 1.644798 0.996578 1.871309 1.003386 29 26 24 25 24 21 22 23 21 19 30 27 23 23 25 20 32 23 28 23 26 20 29 23 22 25 23 23 29 25 26 23 26 20 27 27 25 25 26 22 28 25 27 24 27 21 27 23 23 23 25 20 27 25 25 23 23 21 29 24 24 24 23 20 29 26 23 23 24 21 35 33 35 18 22 22 21 27 22 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Mo P W Mo W W W W W W 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 H H H 2.3463 2.3244 2.5008 2.3725 2.4187 2.4852 2.4856 2.4922 2.5163 2.4829 2.3366 2.3504 -1.0414 -0.9895 -1.0474 -1.0580 -0.9505 -0.9403 -0.9531 -0.9264 -0.7264 -0.8902 -0.9548 -0.9204 -0.9538 -0.9230 -0.9239 -0.8949 -0.8898 -0.9643 -0.9249 -0.9541 -0.8956 -0.9210 -0.9265 -0.7651 -0.8241 -0.9245 -0.9268 -0.9539 -0.6818 -0.6867 -0.7551 -0.6887 -0.7819 -0.7598 -0.7614 -0.7604 -0.7596 -0.7608 -0.6876 0.2988 0.3382 0.2995 1.9431 2.5054 2.0878 1.9465 2.1131 2.0843 2.0895 2.1026 2.0981 2.0872 1.9451 1.9578 1.8959 1.8952 1.8942 1.8932 1.9347 1.9370 1.9335 1.9378 1.8834 1.9450 1.9352 1.9379 1.9340 1.9390 1.9386 1.9591 1.9557 1.9445 1.9464 1.9461 1.9489 1.9484 1.9469 1.8807 1.8821 1.9470 1.9491 1.9464 1.9824 1.9816 1.9718 1.9815 1.9677 1.9715 1.9709 1.9705 1.9702 1.9711 1.9817 0.5592 0.5122 0.5306 6.0790 7.3390 6.0900 6.0602 6.1064 6.0919 6.0948 6.0952 6.0887 6.0932 6.0759 6.0733 5.1061 5.0542 5.1140 5.1251 4.9851 4.9745 4.9899 4.9601 4.8125 4.9187 4.9891 4.9539 4.9895 4.9557 4.9567 4.9017 4.9041 4.9860 4.9483 4.9751 4.9182 4.9428 4.9489 4.8527 4.9103 4.9474 4.9475 4.9745 4.6643 4.6702 4.7460 4.6724 4.7783 4.7511 4.7533 4.7529 4.7525 4.7525 4.6709 0.1420 0.1497 0.1699 3.6316 0.8311 3.2921 3.6208 3.3331 3.3094 3.3008 3.2809 3.2677 3.3074 3.6424 3.6185 0.0394 0.0400 0.0392 0.0397 0.0307 0.0287 0.0298 0.0285 0.0305 0.0265 0.0305 0.0286 0.0303 0.0284 0.0286 0.0340 0.0300 0.0338 0.0303 0.0329 0.0285 0.0298 0.0307 0.0316 0.0318 0.0302 0.0302 0.0331 0.0351 0.0349 0.0373 0.0348 0.0359 0.0373 0.0371 0.0369 0.0369 0.0371 0.0350 0.0000 0.0000 0.0000 0.0000 0.0000 14.0294 0.0000 14.0286 14.0292 14.0293 14.0291 14.0293 14.0293 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Mo P W Mo W W W W W W 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 H H H 3.185356 2.003998 2.527917 3.183551 2.492261 2.518430 2.520380 2.532867 2.541612 2.519733 3.178896 3.178329 -1.094500 -0.986251 -1.059928 -1.075184 -0.942174 -1.060632 -0.949751 -1.052092 -0.725477 -1.162806 -0.937475 -1.050064 -0.944878 -1.065107 -1.061754 -0.737496 -1.051568 -0.922049 -1.035597 -0.926952 -1.151115 -1.037483 -1.036153 -0.588061 -0.564462 -1.026563 -1.046059 -0.923153 -0.947769 -0.957933 -0.780880 -0.955429 -0.815176 -0.785586 -0.788321 -0.787449 -0.787434 -0.787197 -0.953500 0.064724 0.064744 0.048661 2.376104 1.553975 1.955467 2.377923 1.933430 1.959553 1.947480 1.955383 1.955246 1.953555 2.382907 2.345435 -0.858453 -0.726567 -0.803574 -0.818918 -0.701220 -0.814441 -0.703691 -0.807226 -0.795067 -0.913386 -0.691627 -0.807476 -0.708052 -0.808569 -0.805339 -0.615280 -0.842596 -0.755196 -0.829242 -0.753818 -0.919294 -0.820337 -0.833692 -0.737219 -0.739510 -0.842605 -0.837976 -0.745768 -0.709392 -0.708951 -0.668006 -0.719249 -0.695104 -0.667447 -0.676243 -0.665558 -0.670228 -0.671525 -0.709170 0.339898 0.279589 0.281066 2.459672 1.532183 2.052801 2.460807 2.017950 2.059225 2.044498 2.076491 2.084320 2.053156 2.464249 2.449059 -0.877019 -0.810714 -0.837517 -0.854637 -0.782468 -0.892894 -0.783152 -0.889422 -0.850753 -0.979033 -0.774573 -0.873876 -0.786513 -0.907169 -0.879258 -0.703296 -0.874564 -0.806841 -0.877331 -0.793856 -0.954063 -0.870197 -0.870704 -0.788828 -0.793996 -0.880449 -0.895256 -0.786169 -0.667769 -0.690031 -0.632451 -0.681103 -0.659376 -0.631946 -0.642553 -0.650114 -0.668881 -0.635458 -0.670778 0.464208 0.334903 0.351487 1.60493794 -1.86206740 -0.57271990 2.52410952 -15.63993425 3.16954367 -0.78294818 6.54986720 11.56792486 9.09006705 -377.0452 403.0009 -84.0907 -376.0320 -18.7223 -452.8892 May05-2024 03:42:29 Nodes: 1 Procs: 1 May05-2024 03:42:29 Nodes: 1 Procs: 1 0 May05-2024 03:42:30 Nodes: 1 Procs: 1 May05-2024 03:42:30 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May05-2024 03:42:31 Nodes: 1 Procs: 1 May05-2024 03:42:31 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May05-2024 03:42:32 Nodes: 1 Procs: 1 May05-2024 03:42:33 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May05-2024 03:42:33 Nodes: 1 Procs: 1 May05-2024 03:42:34 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 May05-2024 03:42:37 Nodes: 1 Procs: 24 *** (NO TITLE) *** -4 -15.98672144 -16.44187206 -16.05253751 -16.45993343 -16.58958904 -16.61413065 -16.62477943 -16.62611810 -16.62860626 -16.62931396 -16.63253689 -16.63678910 -16.63808764 -16.63786619 -16.64039850 -16.64074339 -16.64208875 -16.64251031 -16.64264963 -16.64288946 -16.64299838 -16.64311167 -16.64317512 -16.64323357 -16.64327621 -16.64330581 -16.64334035 -16.64335413 -16.64336404 -16.64337391 GEOMETRY CONVERGED