ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr14-2024 18:10:24 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 0.67 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 Apr14-2024 18:10:24 Nodes: 1 Procs: 1 Apr14-2024 18:10:25 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr14-2024 18:10:25 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.73 0.04 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr14-2024 18:10:24 Nodes: 1 Procs: 1 Apr14-2024 18:10:25 Nodes: 1 Procs: 1 0 Apr14-2024 18:10:25 Nodes: 1 Procs: 1 Apr14-2024 18:10:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr14-2024 18:10:27 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 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 Apr14-2024 18:10:24 Nodes: 1 Procs: 1 Apr14-2024 18:10:25 Nodes: 1 Procs: 1 0 Apr14-2024 18:10:25 Nodes: 1 Procs: 1 Apr14-2024 18:10:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr14-2024 18:10:27 Nodes: 1 Procs: 1 Apr14-2024 18:10:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr14-2024 18:10:28 Phosphorus (TZP, 1s frozen) 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) 1.33 0.04 1.42 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 Apr14-2024 18:10:24 Nodes: 1 Procs: 1 Apr14-2024 18:10:25 Nodes: 1 Procs: 1 0 Apr14-2024 18:10:25 Nodes: 1 Procs: 1 Apr14-2024 18:10:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr14-2024 18:10:27 Nodes: 1 Procs: 1 Apr14-2024 18:10:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr14-2024 18:10:28 Nodes: 1 Procs: 1 Apr14-2024 18:10:28 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr14-2024 18:10:30 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2613.3297610000045 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Apr14-2024 18:10:28 1 1 Tungsten TZP 4d t21.Mo ADF 2019 Apr14-2024 18:10:26 1 1 Molybdenum TZP 3d t21.O ADF 2019 Apr14-2024 18:10:27 1 1 Oxygen TZP 1s t21.P ADF 2019 Apr14-2024 18:10:25 1 1 Phosphorus TZP 1s 1 1 -16.90167730 0.02156576 0.00100000 F 0.00696884 0.00066667 F 0.02156576 0.00696884 0.00911126 0.01000000 T 0.00346801 0.00666667 T Cartesian 2613.3297610000045 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-0.886755 -0.914955 Rho 0.3187784E+03 3,-3 15 3 -3 0.904687 0.901073 -0.889947 Rho 0.3187733E+03 3,-3 16 3 -3 -0.890787 0.885415 0.909517 Rho 0.3187792E+03 3,-3 17 3 -3 -3.031979 -1.171585 1.170423 Rho 0.3189486E+03 3,-3 18 3 -3 3.021987 -1.165396 -1.166302 Rho 0.3188750E+03 3,-3 19 3 -3 -3.023605 1.173845 -1.174463 Rho 0.3189472E+03 3,-3 20 3 -3 3.029222 1.177074 1.173674 Rho 0.3189482E+03 3,-3 21 3 -3 1.172234 -1.167076 -3.018115 Rho 0.3188733E+03 3,-3 22 3 -3 1.171893 1.171149 3.028293 Rho 0.3189476E+03 3,-3 23 3 -3 -1.166534 1.171166 -3.013596 Rho 0.3188792E+03 3,-3 24 3 -3 -1.172162 -1.170916 3.008772 Rho 0.3188789E+03 3,-3 25 3 -3 -1.170153 3.031876 -1.178281 Rho 0.3189470E+03 3,-3 26 3 -3 -1.171824 -3.028630 1.174677 Rho 0.3189509E+03 3,-3 27 3 -3 1.169925 3.010894 1.169438 Rho 0.3188790E+03 3,-3 28 3 -3 1.165640 -3.016578 -1.169468 Rho 0.3188749E+03 3,-3 29 3 -3 3.385777 -1.503238 1.500752 Rho 0.3190417E+03 3,-3 30 3 -3 -3.385837 -1.499750 -1.501263 Rho 0.3190394E+03 3,-3 31 3 -3 3.387999 1.496271 -1.493833 Rho 0.3189711E+03 3,-3 32 3 -3 -3.387397 1.497995 1.495658 Rho 0.3190397E+03 3,-3 33 3 -3 1.497221 -1.498677 3.386725 Rho 0.3190392E+03 3,-3 34 3 -3 1.501765 1.498303 -3.381453 Rho 0.3189698E+03 3,-3 35 3 -3 -1.500660 1.496322 3.382907 Rho 0.3189771E+03 3,-3 36 3 -3 -1.495354 -1.494488 -3.389236 Rho 0.3189778E+03 3,-3 37 3 -3 -1.499124 -3.385532 -1.505175 Rho 0.3190396E+03 3,-3 38 3 -3 -1.495411 3.383317 1.498898 Rho 0.3190419E+03 3,-3 39 3 -3 1.497035 -3.387976 1.498673 Rho 0.3189778E+03 3,-3 40 3 -3 1.495163 3.385071 -1.495984 Rho 0.3189708E+03 3,-3 41 3 -3 -0.186954 -3.742062 3.752181 Rho 0.3194064E+03 3,-3 42 3 -3 0.189968 -3.744734 -3.747645 Rho 0.3194067E+03 3,-3 43 3 -3 -0.191806 3.747279 -3.752698 Rho 0.3194064E+03 3,-3 44 3 -3 0.191998 3.742550 3.746094 Rho 0.3194063E+03 3,-3 45 3 -3 3.742684 -3.742804 -0.195610 Rho 0.3194058E+03 3,-3 46 3 -3 3.746381 3.749922 0.189978 Rho 0.3194061E+03 3,-3 47 3 -3 -3.749672 3.761257 -0.197850 Rho 0.3195549E+03 3,-3 48 3 -3 -3.749493 -3.761490 0.200575 Rho 0.3195545E+03 3,-3 49 3 -3 -3.749007 0.190727 -3.739533 Rho 0.3194051E+03 3,-3 50 3 -3 -3.750861 -0.191541 3.739833 Rho 0.3194062E+03 3,-3 51 3 -3 3.760946 0.197876 3.752164 Rho 0.3195551E+03 3,-3 52 3 -3 3.748424 -0.194822 -3.748492 Rho 0.3194069E+03 3,-3 53 3 -3 0.000446 -0.006082 -0.000536 Rho 0.2439500E+04 3,-3 54 3 +1 1.995180 1.993857 -1.991180 Rho 0.1265762E-01 |GRAD(Rho)| 0.1467113E-16 GRAD(Rho)x -0.9685008E-17 GRAD(Rho)y -0.8273229E-18 GRAD(Rho)z -0.1098900E-16 Laplacian 0.5992162E-01 (-1/4)Del**2(Rho)) -0.1498040E-01 Diamond 0.2124204E-02 Metallicity 0.7905873E+00 Ellipticity -0.1152246E+01 Gb(Abramov) 0.1196082E-01 Vb(Abramov) -0.8941240E-02 Hb(Abramov) 0.3019582E-02 Ex_ueg -0.2178652E-02 Ec_ueg -0.4900116E-03 Delta_ex -0.2863654E-02 Delta_ec 0.5571240E-03 Delta_et -0.4396828E-02 Pxc 0.4446123E+01 Qxc -0.5140066E+01 3,+1 55 3 +1 -0.564905 -1.696254 0.518810 Rho 0.8471444E-02 |GRAD(Rho)| 0.1640534E-14 GRAD(Rho)x 0.1378126E-14 GRAD(Rho)y 0.8165736E-15 GRAD(Rho)z 0.3540191E-15 Laplacian 0.3504724E-01 (-1/4)Del**2(Rho)) -0.8761810E-02 Diamond 0.9857394E-03 Metallicity 0.6921843E+00 Ellipticity -0.1451730E+01 Gb(Abramov) 0.6852005E-02 Vb(Abramov) -0.4942199E-02 Hb(Abramov) 0.1909805E-02 Ex_ueg -0.1275445E-02 Ec_ueg -0.2992319E-03 Delta_ex -0.1625754E-02 Delta_ec 0.5480695E-03 Delta_et -0.3686740E-02 Pxc 0.4262396E+01 Qxc -0.2966328E+01 3,+1 56 3 +1 -1.692142 -0.558684 0.529705 Rho 0.8428252E-02 |GRAD(Rho)| 0.3791419E-14 GRAD(Rho)x 0.5227752E-15 GRAD(Rho)y -0.2064494E-14 GRAD(Rho)z -0.3136787E-14 Laplacian 0.3482490E-01 (-1/4)Del**2(Rho)) -0.8706224E-02 Diamond 0.9708213E-03 Metallicity 0.6906942E+00 Ellipticity -0.1448964E+01 Gb(Abramov) 0.6806373E-02 Vb(Abramov) -0.4906521E-02 Hb(Abramov) 0.1899852E-02 Ex_ueg -0.1266782E-02 Ec_ueg -0.2973022E-03 Delta_ex -0.1612525E-02 Delta_ec 0.5430421E-03 Delta_et -0.3649132E-02 Pxc 0.4260922E+01 Qxc -0.2969430E+01 3,+1 57 3 +3 -2.361221 0.002209 0.001662 Rho 0.4280156E-02 |GRAD(Rho)| 0.4510269E-17 GRAD(Rho)x -0.2857962E-17 GRAD(Rho)y -0.6373568E-18 GRAD(Rho)z -0.3430503E-17 Laplacian 0.1765736E-01 (-1/4)Del**2(Rho)) -0.4414341E-02 Diamond 0.1518161E-03 Metallicity 0.4403384E+00 Ellipticity -0.3027477E+00 Gb(Abramov) 0.3266861E-02 Vb(Abramov) -0.2119382E-02 Hb(Abramov) 0.1147480E-02 Ex_ueg -0.5132526E-03 Ec_ueg -0.1160677E-03 Delta_ex -0.6439650E-03 Delta_ec 0.1841032E-03 Delta_et -0.1106658E-02 Pxc 0.4422010E+01 Qxc -0.3497848E+01 3,+3 58 3 +3 0.034481 -0.025614 2.361296 Rho 0.4355825E-02 |GRAD(Rho)| 0.8320139E-16 GRAD(Rho)x -0.5855496E-16 GRAD(Rho)y 0.5277608E-16 GRAD(Rho)z 0.2661716E-16 Laplacian 0.1802024E-01 (-1/4)Del**2(Rho)) -0.4505060E-02 Diamond 0.1590625E-03 Metallicity 0.4442594E+00 Ellipticity -0.2966374E+00 Gb(Abramov) 0.3336943E-02 Vb(Abramov) -0.2168825E-02 Hb(Abramov) 0.1168117E-02 Ex_ueg -0.5253866E-03 Ec_ueg -0.1192975E-03 Delta_ex -0.6605297E-03 Delta_ec 0.1886919E-03 Delta_et -0.1138219E-02 Pxc 0.4404002E+01 Qxc -0.3500572E+01 3,+3 59 3 -1 -3.195808 3.206247 -0.063195 Rho 0.2431519E+00 |GRAD(Rho)| 0.3461252E-10 GRAD(Rho)x -0.2409883E-10 GRAD(Rho)y 0.2415141E-10 GRAD(Rho)z -0.5829473E-11 Laplacian 0.8548143E+00 (-1/4)Del**2(Rho)) -0.2137036E+00 Diamond 0.3097846E+01 Metallicity 0.7636088E+01 Ellipticity 0.4714419E-03 Gb(Abramov) 0.4144456E+00 Vb(Abramov) -0.6151876E+00 Hb(Abramov) -0.2007420E+00 Ex_ueg -0.1120870E+00 Ec_ueg -0.1465727E-01 Delta_ex -0.1037717E+00 Delta_ec 0.1906032E-01 Delta_et -0.2652518E+00 Pxc 0.7647197E+01 Qxc -0.5444384E+01 3,-1 60 3 -1 -1.692887 1.694829 0.493646 Rho 0.3453144E-01 |GRAD(Rho)| 0.3367531E-11 GRAD(Rho)x 0.2332966E-11 GRAD(Rho)y -0.2367475E-11 GRAD(Rho)z 0.5409228E-12 Laplacian 0.1426674E+00 (-1/4)Del**2(Rho)) -0.3566684E-01 Diamond 0.4464345E-01 Metallicity 0.1768669E+01 Ellipticity 0.8161956E-02 Gb(Abramov) 0.3429169E-01 Vb(Abramov) -0.3291655E-01 Hb(Abramov) 0.1375143E-02 Ex_ueg -0.8304969E-02 Ec_ueg -0.1579627E-02 Delta_ex -0.1077685E-01 Delta_ec 0.4377486E-02 Delta_et -0.4180200E-01 Pxc 0.5257553E+01 Qxc -0.2461881E+01 3,-1 61 3 +1 -1.321249 2.100460 1.043677 Rho 0.2403361E-01 |GRAD(Rho)| 0.1177143E-14 GRAD(Rho)x -0.8658095E-15 GRAD(Rho)y 0.6493823E-15 GRAD(Rho)z -0.4629704E-15 Laplacian 0.9528706E-01 (-1/4)Del**2(Rho)) -0.2382176E-01 Diamond 0.1213253E-01 Metallicity 0.1447474E+01 Ellipticity -0.3770936E+01 Gb(Abramov) 0.2162807E-01 Vb(Abramov) -0.1943438E-01 Hb(Abramov) 0.2193690E-02 Ex_ueg -0.5122441E-02 Ec_ueg -0.1040182E-02 Delta_ex -0.5901919E-02 Delta_ec 0.1684035E-02 Delta_et -0.1470481E-01 Pxc 0.4924563E+01 Qxc -0.3504629E+01 3,+1 62 3 +1 -2.002571 -2.001722 -1.993457 Rho 0.1246681E-01 |GRAD(Rho)| 0.3106697E-16 GRAD(Rho)x -0.7969554E-18 GRAD(Rho)y 0.2509090E-16 GRAD(Rho)z -0.1830213E-16 Laplacian 0.5904477E-01 (-1/4)Del**2(Rho)) -0.1476119E-01 Diamond 0.2078361E-02 Metallicity 0.7822713E+00 Ellipticity -0.1163120E+01 Gb(Abramov) 0.1176534E-01 Vb(Abramov) -0.8769484E-02 Hb(Abramov) 0.2995855E-02 Ex_ueg -0.2134972E-02 Ec_ueg -0.4811614E-03 Delta_ex -0.2817816E-02 Delta_ec 0.5630365E-03 Delta_et -0.4414385E-02 Pxc 0.4437124E+01 Qxc -0.5004677E+01 3,+1 63 3 -1 -1.696274 -1.695452 -0.493176 Rho 0.3478402E-01 |GRAD(Rho)| 0.1378581E-16 GRAD(Rho)x 0.6091755E-17 GRAD(Rho)y -0.1172527E-16 GRAD(Rho)z -0.3931556E-17 Laplacian 0.1436285E+00 (-1/4)Del**2(Rho)) -0.3590713E-01 Diamond 0.4538192E-01 Metallicity 0.1778301E+01 Ellipticity 0.7655734E-02 Gb(Abramov) 0.3458037E-01 Vb(Abramov) -0.3325361E-01 Hb(Abramov) 0.1326760E-02 Ex_ueg -0.8386061E-02 Ec_ueg -0.1592911E-02 Delta_ex -0.1086804E-01 Delta_ec 0.4405592E-02 Delta_et -0.4215500E-01 Pxc 0.5264614E+01 Qxc -0.2466875E+01 3,-1 64 3 +3 -1.121602 -1.123446 1.088659 Rho 0.4922455E-02 |GRAD(Rho)| 0.9989534E-16 GRAD(Rho)x 0.9216396E-16 GRAD(Rho)y 0.3810928E-16 GRAD(Rho)z -0.5706567E-17 Laplacian 0.2014235E-01 (-1/4)Del**2(Rho)) -0.5035587E-02 Diamond 0.1469510E-03 Metallicity 0.4873107E+00 Ellipticity -0.4369468E-01 Gb(Abramov) 0.3766041E-02 Vb(Abramov) -0.2496494E-02 Hb(Abramov) 0.1269547E-02 Ex_ueg -0.6184350E-03 Ec_ueg -0.1435772E-03 Delta_ex -0.7016811E-03 Delta_ec 0.1044202E-03 Delta_et -0.7790138E-03 Pxc 0.4307333E+01 Qxc -0.6719780E+01 3,+3 65 3 +1 -1.767118 -1.764669 1.747578 Rho 0.1225069E-01 |GRAD(Rho)| 0.1893097E-13 GRAD(Rho)x 0.1499633E-13 GRAD(Rho)y -0.6157987E-14 GRAD(Rho)z 0.9776033E-14 Laplacian 0.6185078E-01 (-1/4)Del**2(Rho)) -0.1546270E-01 Diamond 0.2546777E-02 Metallicity 0.7253293E+00 Ellipticity -0.1245541E+01 Gb(Abramov) 0.1217772E-01 Vb(Abramov) -0.8892748E-02 Hb(Abramov) 0.3284974E-02 Ex_ueg -0.2085766E-02 Ec_ueg -0.4711538E-03 Delta_ex -0.3056067E-02 Delta_ec 0.8013753E-03 Delta_et -0.6040512E-02 Pxc 0.4426932E+01 Qxc -0.3813528E+01 3,+1 66 3 +1 -2.105967 -1.342424 -1.027081 Rho 0.2426270E-01 |GRAD(Rho)| 0.1781530E-13 GRAD(Rho)x -0.8958638E-14 GRAD(Rho)y -0.1333788E-13 GRAD(Rho)z 0.7696023E-14 Laplacian 0.9604206E-01 (-1/4)Del**2(Rho)) -0.2401051E-01 Diamond 0.1202791E-01 Metallicity 0.1458984E+01 Ellipticity -0.3304553E+01 Gb(Abramov) 0.2184550E-01 Vb(Abramov) -0.1968049E-01 Hb(Abramov) 0.2165014E-02 Ex_ueg -0.5187650E-02 Ec_ueg -0.1051665E-02 Delta_ex -0.5922804E-02 Delta_ec 0.1624461E-02 Delta_et -0.1423591E-01 Pxc 0.4932799E+01 Qxc -0.3646011E+01 3,+1 67 3 -1 -1.976939 -0.841351 -2.971350 Rho 0.1417208E+00 |GRAD(Rho)| 0.4338015E-15 GRAD(Rho)x 0.5502326E-17 GRAD(Rho)y -0.3615814E-15 GRAD(Rho)z -0.2396087E-15 Laplacian 0.5651622E+00 (-1/4)Del**2(Rho)) -0.1412906E+00 Diamond 0.1074828E+01 Metallicity 0.4697093E+01 Ellipticity 0.2884706E-01 Gb(Abramov) 0.2048028E+00 Vb(Abramov) -0.2683151E+00 Hb(Abramov) -0.6351229E-01 Ex_ueg -0.5457114E-01 Ec_ueg -0.7915648E-02 Delta_ex -0.5990912E-01 Delta_ec 0.1463798E-01 Delta_et -0.1934794E+00 Pxc 0.6894084E+01 Qxc -0.4092718E+01 3,-1 68 3 +3 -1.843376 -1.843118 -1.827153 Rho 0.1218280E-01 |GRAD(Rho)| 0.3871615E-16 GRAD(Rho)x 0.3289640E-16 GRAD(Rho)y 0.1539429E-16 GRAD(Rho)z 0.1340829E-16 Laplacian 0.5585052E-01 (-1/4)Del**2(Rho)) -0.1396263E-01 Diamond 0.1232620E-02 Metallicity 0.7958501E+00 Ellipticity -0.6742915E+00 Gb(Abramov) 0.1116045E-01 Vb(Abramov) -0.8358263E-02 Hb(Abramov) 0.2802183E-02 Ex_ueg -0.2070370E-02 Ec_ueg -0.4680143E-03 Delta_ex -0.2458279E-02 Delta_ec 0.1928929E-03 Delta_et -0.1857271E-02 Pxc 0.4423732E+01 Qxc -0.1274427E+02 3,+3 69 3 +1 -0.525235 0.553570 -1.686093 Rho 0.8769705E-02 |GRAD(Rho)| 0.1859051E-16 GRAD(Rho)x 0.4228388E-17 GRAD(Rho)y 0.1496199E-16 GRAD(Rho)z -0.1019150E-16 Laplacian 0.3672016E-01 (-1/4)Del**2(Rho)) -0.9180039E-02 Diamond 0.1064574E-02 Metallicity 0.6998693E+00 Ellipticity -0.1433805E+01 Gb(Abramov) 0.7190831E-02 Vb(Abramov) -0.5201622E-02 Hb(Abramov) 0.1989209E-02 Ex_ueg -0.1335668E-02 Ec_ueg -0.3125796E-03 Delta_ex -0.1710153E-02 Delta_ec 0.5601103E-03 Delta_et -0.3812558E-02 Pxc 0.4273048E+01 Qxc -0.3053244E+01 3,+1 70 3 +1 -0.553987 1.692193 -0.530306 Rho 0.8300587E-02 |GRAD(Rho)| 0.1535310E-16 GRAD(Rho)x 0.2168404E-17 GRAD(Rho)y 0.1294266E-16 GRAD(Rho)z -0.7968886E-17 Laplacian 0.3425554E-01 (-1/4)Del**2(Rho)) -0.8563884E-02 Diamond 0.9389135E-03 Metallicity 0.6845373E+00 Ellipticity -0.1448271E+01 Gb(Abramov) 0.6686306E-02 Vb(Abramov) -0.4808727E-02 Hb(Abramov) 0.1877578E-02 Ex_ueg -0.1241262E-02 Ec_ueg -0.2916035E-03 Delta_ex -0.1581868E-02 Delta_ec 0.5371904E-03 Delta_et -0.3593041E-02 Pxc 0.4256677E+01 Qxc -0.2944706E+01 3,+1 71 3 +1 -1.689374 0.559232 -0.528560 Rho 0.8462266E-02 |GRAD(Rho)| 0.2154160E-17 GRAD(Rho)x -0.2134523E-17 GRAD(Rho)y 0.2862971E-18 GRAD(Rho)z 0.4743385E-19 Laplacian 0.3507366E-01 (-1/4)Del**2(Rho)) -0.8768415E-02 Diamond 0.9841147E-03 Metallicity 0.6904144E+00 Ellipticity -0.1448387E+01 Gb(Abramov) 0.6854584E-02 Vb(Abramov) -0.4940752E-02 Hb(Abramov) 0.1913832E-02 Ex_ueg -0.1273603E-02 Ec_ueg -0.2988217E-03 Delta_ex -0.1626121E-02 Delta_ec 0.5477315E-03 Delta_et -0.3683963E-02 Pxc 0.4262082E+01 Qxc -0.2968829E+01 3,+1 72 3 +1 -0.530258 -0.558291 1.680886 Rho 0.8810829E-02 |GRAD(Rho)| 0.1667311E-16 GRAD(Rho)x 0.6938894E-17 GRAD(Rho)y -0.1485357E-16 GRAD(Rho)z -0.3035766E-17 Laplacian 0.3681584E-01 (-1/4)Del**2(Rho)) -0.9203960E-02 Diamond 0.1074115E-02 Metallicity 0.7035145E+00 Ellipticity -0.1438036E+01 Gb(Abramov) 0.7215160E-02 Vb(Abramov) -0.5226360E-02 Hb(Abramov) 0.1988800E-02 Ex_ueg -0.1344025E-02 Ec_ueg -0.3144230E-03 Delta_ex -0.1716592E-02 Delta_ec 0.5615273E-03 Delta_et -0.3826923E-02 Pxc 0.4274576E+01 Qxc -0.3057006E+01 3,+1 73 3 +1 -0.046075 -0.046487 -2.902900 Rho 0.5004174E-02 |GRAD(Rho)| 0.3417135E-17 GRAD(Rho)x 0.3380032E-17 GRAD(Rho)y 0.1743564E-18 GRAD(Rho)z 0.4709503E-18 Laplacian 0.2042885E-01 (-1/4)Del**2(Rho)) -0.5107212E-02 Diamond 0.5230852E-03 Metallicity 0.4938442E+00 Ellipticity -0.1442977E+02 Gb(Abramov) 0.3825169E-02 Vb(Abramov) -0.2543126E-02 Hb(Abramov) 0.1282043E-02 Ex_ueg -0.6321618E-03 Ec_ueg -0.1470924E-03 Delta_ex -0.1058669E-02 Delta_ec 0.7197114E-03 Delta_et -0.3878722E-02 Pxc 0.4297718E+01 Qxc -0.1470964E+01 3,+1 74 3 +3 -1.112414 1.124893 -1.089615 Rho 0.4886499E-02 |GRAD(Rho)| 0.4550397E-17 GRAD(Rho)x 0.3255995E-17 GRAD(Rho)y 0.1980363E-17 GRAD(Rho)z -0.2486518E-17 Laplacian 0.2001660E-01 (-1/4)Del**2(Rho)) -0.5004150E-02 Diamond 0.1452267E-03 Metallicity 0.4844168E+00 Ellipticity -0.3989993E-01 Gb(Abramov) 0.3740115E-02 Vb(Abramov) -0.2476081E-02 Hb(Abramov) 0.1264034E-02 Ex_ueg -0.6124192E-03 Ec_ueg -0.1420316E-03 Delta_ex -0.6965240E-03 Delta_ec 0.1048786E-03 Delta_et -0.7786187E-03 Pxc 0.4311850E+01 Qxc -0.6641243E+01 3,+3 75 3 +1 -1.171456 -1.186733 -2.123044 Rho 0.2589366E-01 |GRAD(Rho)| 0.1020149E-15 GRAD(Rho)x 0.2631151E-17 GRAD(Rho)y 0.2735879E-16 GRAD(Rho)z 0.9824261E-16 Laplacian 0.1048072E+00 (-1/4)Del**2(Rho)) -0.2620181E-01 Diamond 0.1566434E-01 Metallicity 0.1490085E+01 Ellipticity -0.6432836E+01 Gb(Abramov) 0.2397502E-01 Vb(Abramov) -0.2174824E-01 Hb(Abramov) 0.2226783E-02 Ex_ueg -0.5657740E-02 Ec_ueg -0.1133813E-02 Delta_ex -0.6712351E-02 Delta_ec 0.2014891E-02 Delta_et -0.1788999E-01 Pxc 0.4990011E+01 Qxc -0.3331371E+01 3,+1 76 3 +1 -2.004347 2.002502 1.990110 Rho 0.1246399E-01 |GRAD(Rho)| 0.1743092E-16 GRAD(Rho)x 0.1550338E-16 GRAD(Rho)y 0.6292303E-17 GRAD(Rho)z 0.4887650E-17 Laplacian 0.5906972E-01 (-1/4)Del**2(Rho)) -0.1476743E-01 Diamond 0.2087022E-02 Metallicity 0.7816464E+00 Ellipticity -0.1164594E+01 Gb(Abramov) 0.1176877E-01 Vb(Abramov) -0.8770113E-02 Hb(Abramov) 0.2998658E-02 Ex_ueg -0.2134329E-02 Ec_ueg -0.4810308E-03 Delta_ex -0.2821147E-02 Delta_ec 0.5674098E-03 Delta_et -0.4444221E-02 Pxc 0.4436991E+01 Qxc -0.4971974E+01 3,+1 77 3 +3 0.015740 0.014195 -2.359363 Rho 0.4443736E-02 |GRAD(Rho)| 0.6779069E-17 GRAD(Rho)x 0.2687424E-17 GRAD(Rho)y -0.4029124E-17 GRAD(Rho)z 0.4743385E-17 Laplacian 0.1844041E-01 (-1/4)Del**2(Rho)) -0.4610101E-02 Diamond 0.1659861E-03 Metallicity 0.4488381E+00 Ellipticity -0.2717548E+00 Gb(Abramov) 0.3418266E-02 Vb(Abramov) -0.2226430E-02 Hb(Abramov) 0.1191836E-02 Ex_ueg -0.5395720E-03 Ec_ueg -0.1230536E-03 Delta_ex -0.6779516E-03 Delta_ec 0.1906617E-03 Delta_et -0.1158839E-02 Pxc 0.4384854E+01 Qxc -0.3555782E+01 3,+3 78 3 -1 -1.685025 0.482412 1.687655 Rho 0.4079530E-01 |GRAD(Rho)| 0.7493171E-16 GRAD(Rho)x -0.1537026E-16 GRAD(Rho)y 0.1920573E-16 GRAD(Rho)z -0.7077892E-16 Laplacian 0.1620857E+00 (-1/4)Del**2(Rho)) -0.4052141E-01 Diamond 0.6159214E-01 Metallicity 0.2055348E+01 Ellipticity 0.1069316E-01 Gb(Abramov) 0.4089521E-01 Vb(Abramov) -0.4126901E-01 Hb(Abramov) -0.3737996E-03 Ex_ueg -0.1037206E-01 Ec_ueg -0.1912776E-02 Delta_ex -0.1263962E-01 Delta_ec 0.4763971E-02 Delta_et -0.4758800E-01 Pxc 0.5422520E+01 Qxc -0.2653168E+01 3,-1 79 3 +1 -1.177101 1.177898 2.117727 Rho 0.2570512E-01 |GRAD(Rho)| 0.1049343E-15 GRAD(Rho)x -0.7145550E-16 GRAD(Rho)y -0.7676509E-16 GRAD(Rho)z 0.3527065E-17 Laplacian 0.1040180E+00 (-1/4)Del**2(Rho)) -0.2600450E-01 Diamond 0.1544636E-01 Metallicity 0.1483215E+01 Ellipticity -0.6562926E+01 Gb(Abramov) 0.2376471E-01 Vb(Abramov) -0.2152492E-01 Hb(Abramov) 0.2239791E-02 Ex_ueg -0.5602879E-02 Ec_ueg -0.1124281E-02 Delta_ex -0.6654826E-02 Delta_ec 0.2010039E-02 Delta_et -0.1781192E-01 Pxc 0.4983522E+01 Qxc -0.3310795E+01 3,+1 80 3 +3 -0.022277 2.356679 0.008929 Rho 0.4319042E-02 |GRAD(Rho)| 0.4052944E-17 GRAD(Rho)x -0.2950162E-18 GRAD(Rho)y -0.3429673E-17 GRAD(Rho)z 0.2139314E-17 Laplacian 0.1788165E-01 (-1/4)Del**2(Rho)) -0.4470411E-02 Diamond 0.1551803E-03 Metallicity 0.4414193E+00 Ellipticity -0.2942612E+00 Gb(Abramov) 0.3309162E-02 Vb(Abramov) -0.2147913E-02 Hb(Abramov) 0.1161249E-02 Ex_ueg -0.5194793E-03 Ec_ueg -0.1177271E-03 Delta_ex -0.6530986E-03 Delta_ec 0.1855159E-03 Delta_et -0.1118817E-02 Pxc 0.4412571E+01 Qxc -0.3520446E+01 3,+3 81 3 -1 -0.576865 1.810488 -2.780154 Rho 0.1452818E+00 |GRAD(Rho)| 0.4081539E-12 GRAD(Rho)x -0.2673661E-12 GRAD(Rho)y -0.2940102E-12 GRAD(Rho)z -0.9307507E-13 Laplacian 0.6133920E+00 (-1/4)Del**2(Rho)) -0.1533480E+00 Diamond 0.1198330E+01 Metallicity 0.4510526E+01 Ellipticity 0.9433565E-02 Gb(Abramov) 0.2175120E+00 Vb(Abramov) -0.2816760E+00 Hb(Abramov) -0.6416401E-01 Ex_ueg -0.5640705E-01 Ec_ueg -0.8142169E-02 Delta_ex -0.6538000E-01 Delta_ec 0.1572570E-01 Delta_et -0.2084793E+00 Pxc 0.6927767E+01 Qxc -0.4157524E+01 3,-1 82 3 +1 -1.762193 1.766564 -1.751647 Rho 0.1226550E-01 |GRAD(Rho)| 0.4303567E-14 GRAD(Rho)x -0.6316005E-15 GRAD(Rho)y 0.2828849E-14 GRAD(Rho)z 0.3181098E-14 Laplacian 0.6198364E-01 (-1/4)Del**2(Rho)) -0.1549591E-01 Diamond 0.2558360E-02 Metallicity 0.7252345E+00 Ellipticity -0.1247889E+01 Gb(Abramov) 0.1220363E-01 Vb(Abramov) -0.8911359E-02 Hb(Abramov) 0.3292275E-02 Ex_ueg -0.2089131E-02 Ec_ueg -0.4718394E-03 Delta_ex -0.3064137E-02 Delta_ec 0.8040367E-03 Delta_et -0.6061645E-02 Pxc 0.4427630E+01 Qxc -0.3810942E+01 3,+1 83 3 +1 -0.097487 2.909896 0.089931 Rho 0.4881368E-02 |GRAD(Rho)| 0.5303922E-17 GRAD(Rho)x 0.3073732E-17 GRAD(Rho)y 0.1900200E-17 GRAD(Rho)z 0.3882395E-17 Laplacian 0.2009828E-01 (-1/4)Del**2(Rho)) -0.5024571E-02 Diamond 0.4800248E-03 Metallicity 0.4816041E+00 Ellipticity -0.4247947E+01 Gb(Abramov) 0.3753023E-02 Vb(Abramov) -0.2481475E-02 Hb(Abramov) 0.1271548E-02 Ex_ueg -0.6115620E-03 Ec_ueg -0.1418112E-03 Delta_ex -0.1019793E-02 Delta_ec 0.6777593E-03 Delta_et -0.3636157E-02 Pxc 0.4312509E+01 Qxc -0.1504654E+01 3,+1 84 3 -1 -0.483670 1.676374 1.692535 Rho 0.4040932E-01 |GRAD(Rho)| 0.1389752E-12 GRAD(Rho)x 0.4269838E-13 GRAD(Rho)y 0.9399440E-13 GRAD(Rho)z 0.9303772E-13 Laplacian 0.1601292E+00 (-1/4)Del**2(Rho)) -0.4003230E-01 Diamond 0.5998707E-01 Metallicity 0.2047757E+01 Ellipticity 0.1112683E-01 Gb(Abramov) 0.4035094E-01 Vb(Abramov) -0.4066957E-01 Hb(Abramov) -0.3186389E-03 Ex_ueg -0.1024142E-01 Ec_ueg -0.1892033E-02 Delta_ex -0.1245298E-01 Delta_ec 0.4698588E-02 Delta_et -0.4681441E-01 Pxc 0.5412920E+01 Qxc -0.2650365E+01 3,-1 85 3 -1 -0.842382 1.972181 2.972917 Rho 0.1435971E+00 |GRAD(Rho)| 0.2110515E-09 GRAD(Rho)x 0.1594872E-09 GRAD(Rho)y 0.1003866E-09 GRAD(Rho)z -0.9502158E-10 Laplacian 0.5730122E+00 (-1/4)Del**2(Rho)) -0.1432531E+00 Diamond 0.1106923E+01 Metallicity 0.4735425E+01 Ellipticity 0.3079745E-01 Gb(Abramov) 0.2085627E+00 Vb(Abramov) -0.2738724E+00 Hb(Abramov) -0.6530966E-01 Ex_ueg -0.5553662E-01 Ec_ueg -0.8034907E-02 Delta_ex -0.6093436E-01 Delta_ec 0.1479014E-01 Delta_et -0.1958667E+00 Pxc 0.6911918E+01 Qxc -0.4119931E+01 3,-1 86 3 -1 -0.578810 2.789193 -1.814050 Rho 0.1447571E+00 |GRAD(Rho)| 0.5408558E-15 GRAD(Rho)x 0.2587720E-15 GRAD(Rho)y -0.1288303E-15 GRAD(Rho)z -0.4571267E-15 Laplacian 0.6079158E+00 (-1/4)Del**2(Rho)) -0.1519789E+00 Diamond 0.1183435E+01 Metallicity 0.4523793E+01 Ellipticity 0.1093980E-01 Gb(Abramov) 0.2159062E+00 Vb(Abramov) -0.2798334E+00 Hb(Abramov) -0.6392722E-01 Ex_ueg -0.5613556E-01 Ec_ueg -0.8108740E-02 Delta_ex -0.6474895E-01 Delta_ec 0.1561696E-01 Delta_et -0.2069676E+00 Pxc 0.6922847E+01 Qxc -0.4146066E+01 3,-1 87 3 +1 0.567840 0.514020 1.693080 Rho 0.8423348E-02 |GRAD(Rho)| 0.1322584E-14 GRAD(Rho)x 0.4265251E-15 GRAD(Rho)y -0.1083660E-14 GRAD(Rho)z -0.6268857E-15 Laplacian 0.3481575E-01 (-1/4)Del**2(Rho)) -0.8703938E-02 Diamond 0.9720161E-03 Metallicity 0.6902058E+00 Ellipticity -0.1450894E+01 Gb(Abramov) 0.6803877E-02 Vb(Abramov) -0.4903816E-02 Hb(Abramov) 0.1900061E-02 Ex_ueg -0.1265799E-02 Ec_ueg -0.2970832E-03 Delta_ex -0.1612897E-02 Delta_ec 0.5447338E-03 Delta_et -0.3658584E-02 Pxc 0.4260756E+01 Qxc -0.2960889E+01 3,+1 88 3 +3 2.360926 -0.006123 0.020824 Rho 0.4354354E-02 |GRAD(Rho)| 0.2068428E-17 GRAD(Rho)x 0.1289193E-17 GRAD(Rho)y 0.1594348E-17 GRAD(Rho)z -0.2728240E-18 Laplacian 0.1802949E-01 (-1/4)Del**2(Rho)) -0.4507372E-02 Diamond 0.1577984E-03 Metallicity 0.4437817E+00 Ellipticity -0.2949972E+00 Gb(Abramov) 0.3338296E-02 Vb(Abramov) -0.2169220E-02 Hb(Abramov) 0.1169076E-02 Ex_ueg -0.5251500E-03 Ec_ueg -0.1192347E-03 Delta_ex -0.6593917E-03 Delta_ec 0.1862513E-03 Delta_et -0.1126527E-02 Pxc 0.4404338E+01 Qxc -0.3540334E+01 3,+3 89 3 +1 0.539495 1.679169 0.546438 Rho 0.8734610E-02 |GRAD(Rho)| 0.3057162E-16 GRAD(Rho)x -0.4514686E-17 GRAD(Rho)y -0.2032201E-16 GRAD(Rho)z -0.2238877E-16 Laplacian 0.3655387E-01 (-1/4)Del**2(Rho)) -0.9138468E-02 Diamond 0.1054147E-02 Metallicity 0.6983701E+00 Ellipticity -0.1433117E+01 Gb(Abramov) 0.7155984E-02 Vb(Abramov) -0.5173500E-02 Hb(Abramov) 0.1982484E-02 Ex_ueg -0.1328545E-02 Ec_ueg -0.3110070E-03 Delta_ex -0.1700776E-02 Delta_ec 0.5577032E-03 Delta_et -0.3792089E-02 Pxc 0.4271755E+01 Qxc -0.3049607E+01 3,+1 90 3 -1 -0.839516 2.969655 1.977475 Rho 0.1429151E+00 |GRAD(Rho)| 0.1748865E-13 GRAD(Rho)x -0.7584929E-14 GRAD(Rho)y -0.7147237E-14 GRAD(Rho)z -0.1404417E-13 Laplacian 0.5685106E+00 (-1/4)Del**2(Rho)) -0.1421276E+00 Diamond 0.1092861E+01 Metallicity 0.4735201E+01 Ellipticity 0.3017827E-01 Gb(Abramov) 0.2069189E+00 Vb(Abramov) -0.2717102E+00 Hb(Abramov) -0.6479127E-01 Ex_ueg -0.5518522E-01 Ec_ueg -0.7991535E-02 Delta_ex -0.6039501E-01 Delta_ec 0.1470805E-01 Delta_et -0.1946784E+00 Pxc 0.6905459E+01 Qxc -0.4106255E+01 3,-1 91 3 -1 -0.060394 3.198060 -3.201106 Rho 0.2538541E+00 |GRAD(Rho)| 0.3926681E-15 GRAD(Rho)x -0.1182322E-15 GRAD(Rho)y 0.2671474E-15 GRAD(Rho)z -0.2623769E-15 Laplacian 0.9118111E+00 (-1/4)Del**2(Rho)) -0.2279528E+00 Diamond 0.3446762E+01 Metallicity 0.7691576E+01 Ellipticity 0.1005157E-02 Gb(Abramov) 0.4441879E+00 Vb(Abramov) -0.6604229E+00 Hb(Abramov) -0.2162351E+00 Ex_ueg -0.1187127E+00 Ec_ueg -0.1540206E-01 Delta_ex -0.1117801E+00 Delta_ec 0.1977510E-01 Delta_et -0.2741792E+00 Pxc 0.7707588E+01 Qxc -0.5652568E+01 3,-1 92 3 +1 1.764883 1.749665 1.765126 Rho 0.1226590E-01 |GRAD(Rho)| 0.3806416E-15 GRAD(Rho)x 0.3622235E-16 GRAD(Rho)y -0.2748593E-15 GRAD(Rho)z 0.2608225E-15 Laplacian 0.6198516E-01 (-1/4)Del**2(Rho)) -0.1549629E-01 Diamond 0.2558086E-02 Metallicity 0.7252553E+00 Ellipticity -0.1246939E+01 Gb(Abramov) 0.1220399E-01 Vb(Abramov) -0.8911686E-02 Hb(Abramov) 0.3292303E-02 Ex_ueg -0.2089220E-02 Ec_ueg -0.4718576E-03 Delta_ex -0.3064112E-02 Delta_ec 0.8038313E-03 Delta_et -0.6060315E-02 Pxc 0.4427649E+01 Qxc -0.3811884E+01 3,+1 93 3 -1 0.575030 -1.807068 -2.781258 Rho 0.1410252E+00 |GRAD(Rho)| 0.4391055E-12 GRAD(Rho)x -0.2753730E-12 GRAD(Rho)y -0.3278404E-12 GRAD(Rho)z 0.9748885E-13 Laplacian 0.5959648E+00 (-1/4)Del**2(Rho)) -0.1489912E+00 Diamond 0.1125387E+01 Metallicity 0.4417949E+01 Ellipticity 0.8787135E-02 Gb(Abramov) 0.2090334E+00 Vb(Abramov) -0.2690756E+00 Hb(Abramov) -0.6004218E-01 Ex_ueg -0.5421434E-01 Ec_ueg -0.7871499E-02 Delta_ex -0.6308412E-01 Delta_ec 0.1542834E-01 Delta_et -0.2037208E+00 Pxc 0.6887423E+01 Qxc -0.4088847E+01 3,-1 94 3 +1 1.757637 -1.754137 -1.754372 Rho 0.1240276E-01 |GRAD(Rho)| 0.1135878E-16 GRAD(Rho)x 0.7257837E-17 GRAD(Rho)y 0.3925616E-17 GRAD(Rho)z 0.7806103E-17 Laplacian 0.6265022E-01 (-1/4)Del**2(Rho)) -0.1566256E-01 Diamond 0.2612143E-02 Metallicity 0.7309498E+00 Ellipticity -0.1242719E+01 Gb(Abramov) 0.1234979E-01 Vb(Abramov) -0.9037032E-02 Hb(Abramov) 0.3312761E-02 Ex_ueg -0.2120359E-02 Ec_ueg -0.4781934E-03 Delta_ex -0.3102477E-02 Delta_ec 0.8060122E-03 Delta_et -0.6098090E-02 Pxc 0.4434103E+01 Qxc -0.3849169E+01 3,+1 95 3 +1 0.526315 -1.686640 -0.559477 Rho 0.8864216E-02 |GRAD(Rho)| 0.4683485E-16 GRAD(Rho)x 0.4232624E-16 GRAD(Rho)y -0.1832979E-16 GRAD(Rho)z 0.8124740E-17 Laplacian 0.3701487E-01 (-1/4)Del**2(Rho)) -0.9253718E-02 Diamond 0.1083509E-02 Metallicity 0.7068124E+00 Ellipticity -0.1435819E+01 Gb(Abramov) 0.7259252E-02 Vb(Abramov) -0.5264787E-02 Hb(Abramov) 0.1994465E-02 Ex_ueg -0.1354895E-02 Ec_ueg -0.3168173E-03 Delta_ex -0.1726174E-02 Delta_ec 0.5604412E-03 Delta_et -0.3828630E-02 Pxc 0.4276580E+01 Qxc -0.3080028E+01 3,+1 96 3 +1 2.002403 -1.992366 2.003350 Rho 0.1246455E-01 |GRAD(Rho)| 0.2000342E-13 GRAD(Rho)x -0.5849087E-14 GRAD(Rho)y -0.1825595E-13 GRAD(Rho)z -0.5713581E-14 Laplacian 0.5904736E-01 (-1/4)Del**2(Rho)) -0.1476184E-01 Diamond 0.2077905E-02 Metallicity 0.7820009E+00 Ellipticity -0.1162289E+01 Gb(Abramov) 0.1176519E-01 Vb(Abramov) -0.8768537E-02 Hb(Abramov) 0.2996651E-02 Ex_ueg -0.2134457E-02 Ec_ueg -0.4810567E-03 Delta_ex -0.2817791E-02 Delta_ec 0.5630478E-03 Delta_et -0.4414316E-02 Pxc 0.4437017E+01 Qxc -0.5004533E+01 3,+1 97 3 +1 0.550322 -0.531499 -1.687449 Rho 0.8735211E-02 |GRAD(Rho)| 0.2159857E-15 GRAD(Rho)x -0.1190996E-15 GRAD(Rho)y 0.7453890E-16 GRAD(Rho)z 0.1640398E-15 Laplacian 0.3638357E-01 (-1/4)Del**2(Rho)) -0.9095892E-02 Diamond 0.1048681E-02 Metallicity 0.7017196E+00 Ellipticity -0.1437419E+01 Gb(Abramov) 0.7127722E-02 Vb(Abramov) -0.5159552E-02 Hb(Abramov) 0.1968170E-02 Ex_ueg -0.1328667E-02 Ec_ueg -0.3110339E-03 Delta_ex -0.1692593E-02 Delta_ec 0.5545905E-03 Delta_et -0.3771376E-02 Pxc 0.4271777E+01 Qxc -0.3051969E+01 3,+1 98 3 -1 0.491004 -1.695725 1.680626 Rho 0.4060871E-01 |GRAD(Rho)| 0.4545200E-14 GRAD(Rho)x 0.2651830E-14 GRAD(Rho)y -0.3613438E-14 GRAD(Rho)z -0.7547834E-15 Laplacian 0.1611752E+00 (-1/4)Del**2(Rho)) -0.4029379E-01 Diamond 0.6077179E-01 Metallicity 0.2051227E+01 Ellipticity 0.1174888E-01 Gb(Abramov) 0.4063781E-01 Vb(Abramov) -0.4098183E-01 Hb(Abramov) -0.3440196E-03 Ex_ueg -0.1030886E-01 Ec_ueg -0.1902745E-02 Delta_ex -0.1254896E-01 Delta_ec 0.4727839E-02 Delta_et -0.4716787E-01 Pxc 0.5417888E+01 Qxc -0.2654270E+01 3,-1 99 3 -1 0.845483 -1.975208 2.976916 Rho 0.1467222E+00 |GRAD(Rho)| 0.4374284E-13 GRAD(Rho)x -0.1814236E-13 GRAD(Rho)y -0.3515802E-13 GRAD(Rho)z 0.1866023E-13 Laplacian 0.5838356E+00 (-1/4)Del**2(Rho)) -0.1459589E+00 Diamond 0.1157508E+01 Metallicity 0.4817431E+01 Ellipticity 0.3434037E-01 Gb(Abramov) 0.2144971E+00 Vb(Abramov) -0.2830353E+00 Hb(Abramov) -0.6853819E-01 Ex_ueg -0.5715393E-01 Ec_ueg -0.8234017E-02 Delta_ex -0.6241423E-01 Delta_ec 0.1499252E-01 Delta_et -0.1991782E+00 Pxc 0.6941196E+01 Qxc -0.4163023E+01 3,-1 100 3 +3 -0.036708 -2.365257 -0.023880 Rho 0.4380948E-02 |GRAD(Rho)| 0.6473202E-17 GRAD(Rho)x -0.3786101E-17 GRAD(Rho)y -0.2852661E-17 GRAD(Rho)z 0.4407959E-17 Laplacian 0.1814356E-01 (-1/4)Del**2(Rho)) -0.4535889E-02 Diamond 0.1612275E-03 Metallicity 0.4454896E+00 Ellipticity -0.2974911E+00 Gb(Abramov) 0.3360708E-02 Vb(Abramov) -0.2185527E-02 Hb(Abramov) 0.1175181E-02 Ex_ueg -0.5294308E-03 Ec_ueg -0.1203705E-03 Delta_ex -0.6658100E-03 Delta_ec 0.1896346E-03 Delta_et -0.1145978E-02 Pxc 0.4398343E+01 Qxc -0.3511016E+01 3,+3 101 3 +3 1.110081 -1.104650 -1.114750 Rho 0.5032501E-02 |GRAD(Rho)| 0.1010382E-15 GRAD(Rho)x 0.2606987E-16 GRAD(Rho)y 0.9597804E-16 GRAD(Rho)z 0.1781272E-16 Laplacian 0.2073335E-01 (-1/4)Del**2(Rho)) -0.5183337E-02 Diamond 0.1547522E-03 Metallicity 0.4911907E+00 Ellipticity -0.3410579E-01 Gb(Abramov) 0.3879893E-02 Vb(Abramov) -0.2576448E-02 Hb(Abramov) 0.1303445E-02 Ex_ueg -0.6369376E-03 Ec_ueg -0.1483117E-03 Delta_ex -0.7255973E-03 Delta_ec 0.1055880E-03 Delta_et -0.7956588E-03 Pxc 0.4294587E+01 Qxc -0.6871968E+01 3,+3 102 3 +1 1.336965 -1.037602 2.099838 Rho 0.2393048E-01 |GRAD(Rho)| 0.3015206E-16 GRAD(Rho)x -0.1181973E-16 GRAD(Rho)y 0.2714501E-16 GRAD(Rho)z -0.5708654E-17 Laplacian 0.9445609E-01 (-1/4)Del**2(Rho)) -0.2361402E-01 Diamond 0.1173934E-01 Metallicity 0.1449780E+01 Ellipticity -0.3459517E+01 Gb(Abramov) 0.2144854E-01 Vb(Abramov) -0.1928306E-01 Hb(Abramov) 0.2165484E-02 Ex_ueg -0.5093155E-02 Ec_ueg -0.1035018E-02 Delta_ex -0.5818873E-02 Delta_ec 0.1624852E-02 Delta_et -0.1418401E-01 Pxc 0.4920839E+01 Qxc -0.3581171E+01 3,+1 103 3 +1 0.099648 -0.096184 2.907240 Rho 0.4899640E-02 |GRAD(Rho)| 0.2779479E-17 GRAD(Rho)x -0.4387101E-18 GRAD(Rho)y -0.2601715E-17 GRAD(Rho)z 0.8741380E-18 Laplacian 0.2016109E-01 (-1/4)Del**2(Rho)) -0.5040272E-02 Diamond 0.4819880E-03 Metallicity 0.4831028E+00 Ellipticity -0.4168161E+01 Gb(Abramov) 0.3766009E-02 Vb(Abramov) -0.2491747E-02 Hb(Abramov) 0.1274262E-02 Ex_ueg -0.6146162E-03 Ec_ueg -0.1425965E-03 Delta_ex -0.1021827E-02 Delta_ec 0.6765388E-03 Delta_et -0.3634976E-02 Pxc 0.4310178E+01 Qxc -0.1510375E+01 3,+1 104 3 -1 0.838842 2.974568 -1.976805 Rho 0.1425994E+00 |GRAD(Rho)| 0.3405391E-14 GRAD(Rho)x 0.7804629E-15 GRAD(Rho)y -0.2535366E-14 GRAD(Rho)z 0.2135296E-14 Laplacian 0.5686795E+00 (-1/4)Del**2(Rho)) -0.1421699E+00 Diamond 0.1088788E+01 Metallicity 0.4716374E+01 Ellipticity 0.2899006E-01 Gb(Abramov) 0.2065343E+00 Vb(Abramov) -0.2708987E+00 Hb(Abramov) -0.6436443E-01 Ex_ueg -0.5502270E-01 Ec_ueg -0.7971463E-02 Delta_ex -0.6036442E-01 Delta_ec 0.1469188E-01 Delta_et -0.1943396E+00 Pxc 0.6902459E+01 Qxc -0.4108694E+01 3,-1 105 3 -1 1.978483 0.841906 -2.973581 Rho 0.1447301E+00 |GRAD(Rho)| 0.4072541E-13 GRAD(Rho)x 0.2518451E-13 GRAD(Rho)y -0.2900109E-13 GRAD(Rho)z 0.1353648E-13 Laplacian 0.5776463E+00 (-1/4)Del**2(Rho)) -0.1444116E+00 Diamond 0.1125735E+01 Metallicity 0.4759369E+01 Ellipticity 0.3076859E-01 Gb(Abramov) 0.2108257E+00 Vb(Abramov) -0.2772399E+00 Hb(Abramov) -0.6641414E-01 Ex_ueg -0.5612163E-01 Ec_ueg -0.8107024E-02 Delta_ex -0.6153760E-01 Delta_ec 0.1486760E-01 Delta_et -0.1970913E+00 Pxc 0.6922594E+01 Qxc -0.4139041E+01 3,-1 106 3 +1 2.117522 1.155103 -1.204831 Rho 0.2555200E-01 |GRAD(Rho)| 0.1393227E-15 GRAD(Rho)x 0.1296829E-15 GRAD(Rho)y 0.8744825E-17 GRAD(Rho)z -0.5016660E-16 Laplacian 0.1029306E+00 (-1/4)Del**2(Rho)) -0.2573264E-01 Diamond 0.1509477E-01 Metallicity 0.1484033E+01 Ellipticity -0.6356657E+01 Gb(Abramov) 0.2351977E-01 Vb(Abramov) -0.2130691E-01 Hb(Abramov) 0.2212865E-02 Ex_ueg -0.5558422E-02 Ec_ueg -0.1116546E-02 Delta_ex -0.6568074E-02 Delta_ec 0.1976744E-02 Delta_et -0.1749261E-01 Pxc 0.4978228E+01 Qxc -0.3322673E+01 3,+1 107 3 +1 1.695322 0.523508 0.559329 Rho 0.8381642E-02 |GRAD(Rho)| 0.2978050E-17 GRAD(Rho)x 0.2541099E-17 GRAD(Rho)y 0.1070650E-17 GRAD(Rho)z -0.1124860E-17 Laplacian 0.3471670E-01 (-1/4)Del**2(Rho)) -0.8679176E-02 Diamond 0.9628822E-03 Metallicity 0.6864726E+00 Ellipticity -0.1446622E+01 Gb(Abramov) 0.6779120E-02 Vb(Abramov) -0.4879064E-02 Hb(Abramov) 0.1900056E-02 Ex_ueg -0.1257449E-02 Ec_ueg -0.2952208E-03 Delta_ex -0.1606403E-02 Delta_ec 0.5433125E-03 Delta_et -0.3644159E-02 Pxc 0.4259353E+01 Qxc -0.2956683E+01 3,+1 108 3 +1 2.913159 -0.094750 0.106937 Rho 0.4920409E-02 |GRAD(Rho)| 0.1144396E-14 GRAD(Rho)x 0.2220945E-16 GRAD(Rho)y -0.8211392E-15 GRAD(Rho)z 0.7967933E-15 Laplacian 0.2025580E-01 (-1/4)Del**2(Rho)) -0.5063951E-02 Diamond 0.4860901E-03 Metallicity 0.4842455E+00 Ellipticity -0.4135940E+01 Gb(Abramov) 0.3784667E-02 Vb(Abramov) -0.2505382E-02 Hb(Abramov) 0.1279284E-02 Ex_ueg -0.6180922E-03 Ec_ueg -0.1434893E-03 Delta_ex -0.1026570E-02 Delta_ec 0.6781554E-03 Delta_et -0.3648917E-02 Pxc 0.4307585E+01 Qxc -0.1513768E+01 3,+1 109 3 -1 1.691392 1.687716 -0.486781 Rho 0.4071939E-01 |GRAD(Rho)| 0.2228440E-15 GRAD(Rho)x -0.1903289E-15 GRAD(Rho)y -0.1046729E-15 GRAD(Rho)z -0.4977875E-16 Laplacian 0.1620169E+00 (-1/4)Del**2(Rho)) -0.4050422E-01 Diamond 0.6133517E-01 Metallicity 0.2049848E+01 Ellipticity 0.1142574E-01 Gb(Abramov) 0.4084073E-01 Vb(Abramov) -0.4117723E-01 Hb(Abramov) -0.3365072E-03 Ex_ueg -0.1034634E-01 Ec_ueg -0.1908694E-02 Delta_ex -0.1262415E-01 Delta_ec 0.4754412E-02 Delta_et -0.4746784E-01 Pxc 0.5420637E+01 Qxc -0.2655248E+01 3,-1 110 3 +1 1.686532 -0.538892 -0.545907 Rho 0.8766311E-02 |GRAD(Rho)| 0.5395596E-15 GRAD(Rho)x 0.2305895E-15 GRAD(Rho)y -0.4308890E-15 GRAD(Rho)z 0.2286650E-15 Laplacian 0.3657924E-01 (-1/4)Del**2(Rho)) -0.9144811E-02 Diamond 0.1055466E-02 Metallicity 0.7021122E+00 Ellipticity -0.1432882E+01 Gb(Abramov) 0.7166654E-02 Vb(Abramov) -0.5188498E-02 Hb(Abramov) 0.1978156E-02 Ex_ueg -0.1334978E-02 Ec_ueg -0.3124274E-03 Delta_ex -0.1701465E-02 Delta_ec 0.5544600E-03 Delta_et -0.3776323E-02 Pxc 0.4272923E+01 Qxc -0.3068688E+01 3,+1 111 3 -1 2.781130 -1.804415 -0.575883 Rho 0.1437936E+00 |GRAD(Rho)| 0.4780088E-12 GRAD(Rho)x -0.8353871E-13 GRAD(Rho)y -0.3640081E-12 GRAD(Rho)z 0.2983483E-12 Laplacian 0.6073008E+00 (-1/4)Del**2(Rho)) -0.1518252E+00 Diamond 0.1172810E+01 Metallicity 0.4478253E+01 Ellipticity 0.8931136E-02 Gb(Abramov) 0.2145354E+00 Vb(Abramov) -0.2772457E+00 Hb(Abramov) -0.6271022E-01 Ex_ueg -0.5563796E-01 Ec_ueg -0.8047408E-02 Delta_ex -0.6457817E-01 Delta_ec 0.1562706E-01 Delta_et -0.2068995E+00 Pxc 0.6913775E+01 Qxc -0.4132459E+01 3,-1 112 3 -1 2.972465 -1.977207 0.842779 Rho 0.1437703E+00 |GRAD(Rho)| 0.4041429E-15 GRAD(Rho)x 0.6376464E-16 GRAD(Rho)y 0.2719857E-15 GRAD(Rho)z 0.2920434E-15 Laplacian 0.5713872E+00 (-1/4)Del**2(Rho)) -0.1428468E+00 Diamond 0.1106398E+01 Metallicity 0.4758439E+01 Ellipticity 0.3200444E-01 Gb(Abramov) 0.2085192E+00 Vb(Abramov) -0.2741915E+00 Hb(Abramov) -0.6567236E-01 Ex_ueg -0.5562592E-01 Ec_ueg -0.8045922E-02 Delta_ex -0.6079013E-01 Delta_ec 0.1476297E-01 Delta_et -0.1955828E+00 Pxc 0.6913554E+01 Qxc -0.4117745E+01 3,-1 113 3 +1 2.105001 -1.032313 1.337185 Rho 0.2422249E-01 |GRAD(Rho)| 0.5330258E-14 GRAD(Rho)x 0.2771452E-14 GRAD(Rho)y 0.2253589E-14 GRAD(Rho)z 0.3956266E-14 Laplacian 0.9587615E-01 (-1/4)Del**2(Rho)) -0.2396904E-01 Diamond 0.1204257E-01 Metallicity 0.1457473E+01 Ellipticity -0.3384748E+01 Gb(Abramov) 0.2180173E-01 Vb(Abramov) -0.1963442E-01 Hb(Abramov) 0.2167307E-02 Ex_ueg -0.5176190E-02 Ec_ueg -0.1049648E-02 Delta_ex -0.5917074E-02 Delta_ec 0.1634360E-02 Delta_et -0.1431358E-01 Pxc 0.4931357E+01 Qxc -0.3620424E+01 3,+1 114 3 -1 2.977931 -0.834963 1.987165 Rho 0.1329398E+00 |GRAD(Rho)| 0.1704346E-13 GRAD(Rho)x -0.5900486E-14 GRAD(Rho)y -0.8204741E-14 GRAD(Rho)z -0.1372392E-13 Laplacian 0.5267320E+00 (-1/4)Del**2(Rho)) -0.1316830E+00 Diamond 0.9163792E+00 Metallicity 0.4530179E+01 Ellipticity 0.4121980E-01 Gb(Abramov) 0.1872133E+00 Vb(Abramov) -0.2427435E+00 Hb(Abramov) -0.5553026E-01 Ex_ueg -0.5011010E-01 Ec_ueg -0.7360534E-02 Delta_ex -0.5484396E-01 Delta_ec 0.1361961E-01 Delta_et -0.1777888E+00 Pxc 0.6807943E+01 Qxc -0.4026839E+01 3,-1 115 3 +1 -2.103186 1.329496 1.034740 Rho 0.2401117E-01 |GRAD(Rho)| 0.8889089E-14 GRAD(Rho)x -0.6392774E-14 GRAD(Rho)y 0.5674549E-14 GRAD(Rho)z 0.2438817E-14 Laplacian 0.9501964E-01 (-1/4)Del**2(Rho)) -0.2375491E-01 Diamond 0.1191555E-01 Metallicity 0.1449290E+01 Ellipticity -0.3517628E+01 Gb(Abramov) 0.2157457E-01 Vb(Abramov) -0.1939422E-01 Hb(Abramov) 0.2180344E-02 Ex_ueg -0.5116066E-02 Ec_ueg -0.1039058E-02 Delta_ex -0.5864715E-02 Delta_ec 0.1645054E-02 Delta_et -0.1436963E-01 Pxc 0.4923754E+01 Qxc -0.3565059E+01 3,+1 116 3 -1 -2.974183 1.989559 0.831456 Rho 0.1315716E+00 |GRAD(Rho)| 0.1273313E-12 GRAD(Rho)x 0.5076333E-13 GRAD(Rho)y 0.7801982E-13 GRAD(Rho)z -0.8688642E-13 Laplacian 0.5215743E+00 (-1/4)Del**2(Rho)) -0.1303936E+00 Diamond 0.8965450E+00 Metallicity 0.4496768E+01 Ellipticity 0.3887076E-01 Gb(Abramov) 0.1846540E+00 Vb(Abramov) -0.2389144E+00 Hb(Abramov) -0.5426042E-01 Ex_ueg -0.4942362E-01 Ec_ueg -0.7274485E-02 Delta_ex -0.5417515E-01 Delta_ec 0.1352730E-01 Delta_et -0.1763107E+00 Pxc 0.6794105E+01 Qxc -0.4004874E+01 3,-1 117 3 -1 -2.789285 -1.825192 0.577512 Rho 0.1329070E+00 |GRAD(Rho)| 0.6347081E-13 GRAD(Rho)x 0.2969843E-13 GRAD(Rho)y 0.5545412E-13 GRAD(Rho)z 0.8449093E-14 Laplacian 0.5599271E+00 (-1/4)Del**2(Rho)) -0.1399818E+00 Diamond 0.9711102E+00 Metallicity 0.4259854E+01 Ellipticity 0.1007977E-01 Gb(Abramov) 0.1927049E+00 Vb(Abramov) -0.2454279E+00 Hb(Abramov) -0.5272307E-01 Ex_ueg -0.5009359E-01 Ec_ueg -0.7358467E-02 Delta_ex -0.5826481E-01 Delta_ec 0.1442172E-01 Delta_et -0.1881410E+00 Pxc 0.6807613E+01 Qxc -0.4040075E+01 3,-1 118 3 -1 -1.812459 -0.576125 2.772324 Rho 0.1419996E+00 |GRAD(Rho)| 0.7090007E-16 GRAD(Rho)x 0.3923457E-16 GRAD(Rho)y -0.5875021E-16 GRAD(Rho)z -0.5990217E-17 Laplacian 0.6004382E+00 (-1/4)Del**2(Rho)) -0.1501096E+00 Diamond 0.1143231E+01 Metallicity 0.4435646E+01 Ellipticity 0.8046410E-02 Gb(Abramov) 0.2110452E+00 Vb(Abramov) -0.2719808E+00 Hb(Abramov) -0.6093563E-01 Ex_ueg -0.5471437E-01 Ec_ueg -0.7933359E-02 Delta_ex -0.6366414E-01 Delta_ec 0.1551769E-01 Delta_et -0.2051115E+00 Pxc 0.6896747E+01 Qxc -0.4102683E+01 3,-1 119 3 -1 -1.688040 -0.484143 -1.689514 Rho 0.4174643E-01 |GRAD(Rho)| 0.2583458E-15 GRAD(Rho)x 0.1886582E-15 GRAD(Rho)y -0.8068614E-16 GRAD(Rho)z 0.1569726E-15 Laplacian 0.1666602E+00 (-1/4)Del**2(Rho)) -0.4166504E-01 Diamond 0.6547015E-01 Metallicity 0.2077209E+01 Ellipticity 0.1066794E-01 Gb(Abramov) 0.4220119E-01 Vb(Abramov) -0.4273735E-01 Hb(Abramov) -0.5361539E-03 Ex_ueg -0.1069574E-01 Ec_ueg -0.1964002E-02 Delta_ex -0.1307792E-01 Delta_ec 0.4909733E-02 Delta_et -0.4934909E-01 Pxc 0.5445890E+01 Qxc -0.2663672E+01 3,-1 120 3 +3 1.122502 1.086040 1.118150 Rho 0.4888517E-02 |GRAD(Rho)| 0.6977286E-12 GRAD(Rho)x 0.9267540E-13 GRAD(Rho)y 0.9733957E-13 GRAD(Rho)z 0.6846616E-12 Laplacian 0.2002977E-01 (-1/4)Del**2(Rho)) -0.5007441E-02 Diamond 0.1454370E-03 Metallicity 0.4844317E+00 Ellipticity -0.5759189E-01 Gb(Abramov) 0.3742588E-02 Vb(Abramov) -0.2477735E-02 Hb(Abramov) 0.1264853E-02 Ex_ueg -0.6127565E-03 Ec_ueg -0.1421184E-03 Delta_ex -0.6970922E-03 Delta_ec 0.1050035E-03 Delta_et -0.7794709E-03 Pxc 0.4311592E+01 Qxc -0.6638755E+01 3,+3 121 3 -1 -0.843216 -1.973643 -2.976362 Rho 0.1445604E+00 |GRAD(Rho)| 0.1370269E-15 GRAD(Rho)x -0.2110128E-16 GRAD(Rho)y 0.1062925E-15 GRAD(Rho)z 0.8386304E-16 Laplacian 0.5763865E+00 (-1/4)Del**2(Rho)) -0.1440966E+00 Diamond 0.1122281E+01 Metallicity 0.4760450E+01 Ellipticity 0.3152133E-01 Gb(Abramov) 0.2103919E+00 Vb(Abramov) -0.2766872E+00 Hb(Abramov) -0.6629527E-01 Ex_ueg -0.5603388E-01 Ec_ueg -0.8096213E-02 Delta_ex -0.6139188E-01 Delta_ec 0.1485033E-01 Delta_et -0.1968522E+00 Pxc 0.6920999E+01 Qxc -0.4134041E+01 3,-1 122 3 -1 -0.491202 -1.680046 -1.695057 Rho 0.4052955E-01 |GRAD(Rho)| 0.1349306E-15 GRAD(Rho)x -0.2624436E-16 GRAD(Rho)y 0.1104986E-15 GRAD(Rho)z 0.7285288E-16 Laplacian 0.1606345E+00 (-1/4)Del**2(Rho)) -0.4015862E-01 Diamond 0.6036392E-01 Metallicity 0.2051449E+01 Ellipticity 0.1145579E-01 Gb(Abramov) 0.4050297E-01 Vb(Abramov) -0.4084732E-01 Hb(Abramov) -0.3443507E-03 Ex_ueg -0.1028207E-01 Ec_ueg -0.1898492E-02 Delta_ex -0.1249831E-01 Delta_ec 0.4707613E-02 Delta_et -0.4694097E-01 Pxc 0.5415917E+01 Qxc -0.2654915E+01 3,-1 123 3 -1 -0.574613 -1.808019 2.777831 Rho 0.1432131E+00 |GRAD(Rho)| 0.4340368E-15 GRAD(Rho)x -0.2105792E-15 GRAD(Rho)y 0.3533821E-15 GRAD(Rho)z 0.1384391E-15 Laplacian 0.6055989E+00 (-1/4)Del**2(Rho)) -0.1513997E+00 Diamond 0.1164051E+01 Metallicity 0.4460663E+01 Ellipticity 0.9461900E-02 Gb(Abramov) 0.2134903E+00 Vb(Abramov) -0.2755810E+00 Hb(Abramov) -0.6209061E-01 Ex_ueg -0.5533868E-01 Ec_ueg -0.8010481E-02 Delta_ex -0.6433571E-01 Delta_ec 0.1560244E-01 Delta_et -0.2064584E+00 Pxc 0.6908284E+01 Qxc -0.4123440E+01 3,-1 124 3 -1 0.571974 -2.779378 -1.809122 Rho 0.1427261E+00 |GRAD(Rho)| 0.4217689E-15 GRAD(Rho)x -0.3770178E-15 GRAD(Rho)y 0.3582611E-16 GRAD(Rho)z 0.1856425E-15 Laplacian 0.6025295E+00 (-1/4)Del**2(Rho)) -0.1506324E+00 Diamond 0.1153344E+01 Metallicity 0.4458004E+01 Ellipticity 0.9419154E-02 Gb(Abramov) 0.2123415E+00 Vb(Abramov) -0.2740507E+00 Hb(Abramov) -0.6170916E-01 Ex_ueg -0.5508790E-01 Ec_ueg -0.7979517E-02 Delta_ex -0.6395561E-01 Delta_ec 0.1553482E-01 Delta_et -0.2054568E+00 Pxc 0.6903663E+01 Qxc -0.4116921E+01 3,-1 125 3 -1 0.844501 -2.973951 1.978127 Rho 0.1439607E+00 |GRAD(Rho)| 0.4479877E-15 GRAD(Rho)x -0.3604701E-15 GRAD(Rho)y 0.2048058E-15 GRAD(Rho)z 0.1697319E-15 Laplacian 0.5737993E+00 (-1/4)Del**2(Rho)) -0.1434498E+00 Diamond 0.1111843E+01 Metallicity 0.4748900E+01 Ellipticity 0.3114845E-01 Gb(Abramov) 0.2091714E+00 Vb(Abramov) -0.2748929E+00 Hb(Abramov) -0.6572153E-01 Ex_ueg -0.5572417E-01 Ec_ueg -0.8058039E-02 Delta_ex -0.6105603E-01 Delta_ec 0.1480182E-01 Delta_et -0.1960958E+00 Pxc 0.6915351E+01 Qxc -0.4124900E+01 3,-1 126 3 +1 -0.107849 -2.910844 -0.099059 Rho 0.4928879E-02 |GRAD(Rho)| 0.1365945E-16 GRAD(Rho)x 0.5442267E-17 GRAD(Rho)y -0.5113978E-18 GRAD(Rho)z -0.1251802E-16 Laplacian 0.2029329E-01 (-1/4)Del**2(Rho)) -0.5073322E-02 Diamond 0.4871982E-03 Metallicity 0.4847387E+00 Ellipticity -0.4072217E+01 Gb(Abramov) 0.3792088E-02 Vb(Abramov) -0.2510853E-02 Hb(Abramov) 0.1281235E-02 Ex_ueg -0.6195114E-03 Ec_ueg -0.1438535E-03 Delta_ex -0.1027933E-02 Delta_ec 0.6778586E-03 Delta_et -0.3649808E-02 Pxc 0.4306545E+01 Qxc -0.1516442E+01 3,+1 127 3 +3 1.843122 -1.826194 1.843637 Rho 0.1217885E-01 |GRAD(Rho)| 0.1076493E-13 GRAD(Rho)x -0.6837281E-14 GRAD(Rho)y 0.6521434E-14 GRAD(Rho)z -0.5158116E-14 Laplacian 0.5583300E-01 (-1/4)Del**2(Rho)) -0.1395825E-01 Diamond 0.1230446E-02 Metallicity 0.7956698E+00 Ellipticity -0.6756744E+00 Gb(Abramov) 0.1115653E-01 Vb(Abramov) -0.8354803E-02 Hb(Abramov) 0.2801724E-02 Ex_ueg -0.2069475E-02 Ec_ueg -0.4678318E-03 Delta_ex -0.2456925E-02 Delta_ec 0.1922117E-03 Delta_et -0.1852448E-02 Pxc 0.4423546E+01 Qxc -0.1278239E+02 3,+3 128 3 +1 -1.329900 -2.103217 -1.043808 Rho 0.2405983E-01 |GRAD(Rho)| 0.3385546E-15 GRAD(Rho)x 0.2017332E-16 GRAD(Rho)y 0.1179441E-15 GRAD(Rho)z -0.3167040E-15 Laplacian 0.9517777E-01 (-1/4)Del**2(Rho)) -0.2379444E-01 Diamond 0.1201707E-01 Metallicity 0.1451773E+01 Ellipticity -0.3608252E+01 Gb(Abramov) 0.2162032E-01 Vb(Abramov) -0.1944619E-01 Hb(Abramov) 0.2174126E-02 Ex_ueg -0.5129896E-02 Ec_ueg -0.1041496E-02 Delta_ex -0.5883166E-02 Delta_ec 0.1657669E-02 Delta_et -0.1448459E-01 Pxc 0.4925509E+01 Qxc -0.3549060E+01 3,+1 129 3 +1 1.163442 -2.125064 1.194356 Rho 0.2601601E-01 |GRAD(Rho)| 0.1450189E-15 GRAD(Rho)x 0.2705347E-16 GRAD(Rho)y -0.1355026E-15 GRAD(Rho)z 0.4401866E-16 Laplacian 0.1054384E+00 (-1/4)Del**2(Rho)) -0.2635961E-01 Diamond 0.1586410E-01 Metallicity 0.1492847E+01 Ellipticity -0.6482254E+01 Gb(Abramov) 0.2413155E-01 Vb(Abramov) -0.2190349E-01 Hb(Abramov) 0.2228059E-02 Ex_ueg -0.5693412E-02 Ec_ueg -0.1140004E-02 Delta_ex -0.6761451E-02 Delta_ec 0.2027588E-02 Delta_et -0.1802414E-01 Pxc 0.4994206E+01 Qxc -0.3334726E+01 3,+1 130 3 +3 1.838881 1.837931 -1.836477 Rho 0.1239952E-01 |GRAD(Rho)| 0.5424079E-16 GRAD(Rho)x -0.3868069E-16 GRAD(Rho)y -0.2222802E-16 GRAD(Rho)z 0.3085098E-16 Laplacian 0.5689475E-01 (-1/4)Del**2(Rho)) -0.1422369E-01 Diamond 0.1286536E-02 Metallicity 0.8045425E+00 Ellipticity -0.7065403E+00 Gb(Abramov) 0.1138972E-01 Vb(Abramov) -0.8555749E-02 Hb(Abramov) 0.2833969E-02 Ex_ueg -0.2119620E-02 Ec_ueg -0.4780434E-03 Delta_ex -0.2517184E-02 Delta_ec 0.1961926E-03 Delta_et -0.1892264E-02 Pxc 0.4433950E+01 Qxc -0.1283017E+02 3,+3 131 3 +1 1.155376 2.114268 -1.206350 Rho 0.2549499E-01 |GRAD(Rho)| 0.3986023E-16 GRAD(Rho)x -0.1970552E-16 GRAD(Rho)y -0.2248094E-16 GRAD(Rho)z 0.2636547E-16 Laplacian 0.1027731E+00 (-1/4)Del**2(Rho)) -0.2569329E-01 Diamond 0.1507233E-01 Metallicity 0.1480783E+01 Ellipticity -0.6514421E+01 Gb(Abramov) 0.2346989E-01 Vb(Abramov) -0.2124649E-01 Hb(Abramov) 0.2223398E-02 Ex_ueg -0.5541892E-02 Ec_ueg -0.1113668E-02 Delta_ex -0.6559141E-02 Delta_ec 0.1982561E-02 Delta_et -0.1753244E-01 Pxc 0.4976251E+01 Qxc -0.3308418E+01 3,+1 132 3 -1 1.989578 -0.831982 2.974114 Rho 0.1303927E+00 |GRAD(Rho)| 0.3055818E-12 GRAD(Rho)x 0.1884974E-12 GRAD(Rho)y 0.2250170E-12 GRAD(Rho)z -0.8494889E-13 Laplacian 0.5166477E+00 (-1/4)Del**2(Rho)) -0.1291619E+00 Diamond 0.8785207E+00 Metallicity 0.4472060E+01 Ellipticity 0.3766932E-01 Gb(Abramov) 0.1823779E+00 Vb(Abramov) -0.2355940E+00 Hb(Abramov) -0.5321601E-01 Ex_ueg -0.4883407E-01 Ec_ueg -0.7200447E-02 Delta_ex -0.5354670E-01 Delta_ec 0.1342847E-01 Delta_et -0.1747721E+00 Pxc 0.6782089E+01 Qxc -0.3987550E+01 3,-1 133 3 -1 1.810062 -0.576403 -2.782814 Rho 0.1452321E+00 |GRAD(Rho)| 0.3311397E-14 GRAD(Rho)x 0.2367925E-14 GRAD(Rho)y 0.2277462E-14 GRAD(Rho)z 0.4140704E-15 Laplacian 0.6130670E+00 (-1/4)Del**2(Rho)) -0.1532667E+00 Diamond 0.1197552E+01 Metallicity 0.4510341E+01 Ellipticity 0.9273302E-02 Gb(Abramov) 0.2173920E+00 Vb(Abramov) -0.2815173E+00 Hb(Abramov) -0.6412530E-01 Ex_ueg -0.5638129E-01 Ec_ueg -0.8138999E-02 Delta_ex -0.6534352E-01 Delta_ec 0.1572519E-01 Delta_et -0.2084763E+00 Pxc 0.6927301E+01 Qxc -0.4155342E+01 3,-1 134 3 -1 1.700904 -0.498261 1.689996 Rho 0.3436940E-01 |GRAD(Rho)| 0.3976727E-16 GRAD(Rho)x 0.3497685E-16 GRAD(Rho)y 0.1120053E-16 GRAD(Rho)z 0.1525136E-16 Laplacian 0.1417879E+00 (-1/4)Del**2(Rho)) -0.3544698E-01 Diamond 0.4402135E-01 Metallicity 0.1765742E+01 Ellipticity 0.8852073E-02 Gb(Abramov) 0.3406302E-01 Vb(Abramov) -0.3267906E-01 Hb(Abramov) 0.1383956E-02 Ex_ueg -0.8253048E-02 Ec_ueg -0.1571111E-02 Delta_ex -0.1069361E-01 Delta_ec 0.4342475E-02 Delta_et -0.4141372E-01 Pxc 0.5253002E+01 Qxc -0.2462560E+01 3,-1 135 3 -1 0.491278 1.689800 -1.684495 Rho 0.3912698E-01 |GRAD(Rho)| 0.6105344E-14 GRAD(Rho)x 0.3666133E-14 GRAD(Rho)y -0.3466125E-14 GRAD(Rho)z -0.3438120E-14 Laplacian 0.1542359E+00 (-1/4)Del**2(Rho)) -0.3855897E-01 Diamond 0.5502880E-01 Metallicity 0.2014752E+01 Ellipticity 0.1174784E-01 Gb(Abramov) 0.3865377E-01 Vb(Abramov) -0.3874858E-01 Hb(Abramov) -0.9480640E-04 Ex_ueg -0.9810403E-02 Ec_ueg -0.1823316E-02 Delta_ex -0.1188273E-01 Delta_ec 0.4497680E-02 Delta_et -0.4442307E-01 Pxc 0.5380527E+01 Qxc -0.2641969E+01 3,-1 136 3 +1 1.169938 1.198230 -2.108204 Rho 0.2524380E-01 |GRAD(Rho)| 0.3660835E-16 GRAD(Rho)x -0.1515680E-16 GRAD(Rho)y 0.6967517E-17 GRAD(Rho)z 0.3258676E-16 Laplacian 0.1014650E+00 (-1/4)Del**2(Rho)) -0.2536625E-01 Diamond 0.1470154E-01 Metallicity 0.1475327E+01 Ellipticity -0.6570274E+01 Gb(Abramov) 0.2314809E-01 Vb(Abramov) -0.2092992E-01 Hb(Abramov) 0.2218166E-02 Ex_ueg -0.5469212E-02 Ec_ueg -0.1100997E-02 Delta_ex -0.6461243E-02 Delta_ec 0.1961538E-02 Delta_et -0.1730203E-01 Pxc 0.4967508E+01 Qxc -0.3293968E+01 3,+1 137 3 -1 3.192416 -3.192162 -0.061325 Rho 0.2533942E+00 |GRAD(Rho)| 0.8168436E-15 GRAD(Rho)x 0.6439077E-15 GRAD(Rho)y -0.4852889E-15 GRAD(Rho)z -0.1308090E-15 Laplacian 0.9155127E+00 (-1/4)Del**2(Rho)) -0.2288782E+00 Diamond 0.3448543E+01 Metallicity 0.7637357E+01 Ellipticity 0.1001430E-02 Gb(Abramov) 0.4439229E+00 Vb(Abramov) -0.6589676E+00 Hb(Abramov) -0.2150447E+00 Ex_ueg -0.1184260E+00 Ec_ueg -0.1536992E-01 Delta_ex -0.1121573E+00 Delta_ec 0.1982515E-01 Delta_et -0.2746690E+00 Pxc 0.7705051E+01 Qxc -0.5657324E+01 3,-1 138 3 -1 2.783138 -0.574752 -1.808817 Rho 0.1424672E+00 |GRAD(Rho)| 0.2398736E-15 GRAD(Rho)x 0.1788256E-16 GRAD(Rho)y 0.1831217E-15 GRAD(Rho)z 0.1539025E-15 Laplacian 0.6007881E+00 (-1/4)Del**2(Rho)) -0.1501970E+00 Diamond 0.1147934E+01 Metallicity 0.4457420E+01 Ellipticity 0.8686302E-02 Gb(Abramov) 0.2117132E+00 Vb(Abramov) -0.2732294E+00 Hb(Abramov) -0.6151619E-01 Ex_ueg -0.5495473E-01 Ec_ueg -0.7963066E-02 Delta_ex -0.6374709E-01 Delta_ec 0.1550494E-01 Delta_et -0.2050237E+00 Pxc 0.6901202E+01 Qxc -0.4111405E+01 3,-1 139 3 -1 -1.820588 2.793534 -0.578961 Rho 0.1323491E+00 |GRAD(Rho)| 0.4066462E-13 GRAD(Rho)x -0.2825576E-13 GRAD(Rho)y -0.2921819E-13 GRAD(Rho)z 0.1233090E-14 Laplacian 0.5580830E+00 (-1/4)Del**2(Rho)) -0.1395207E+00 Diamond 0.9625079E+00 Metallicity 0.4244070E+01 Ellipticity 0.1176238E-01 Gb(Abramov) 0.1917031E+00 Vb(Abramov) -0.2438855E+00 Hb(Abramov) -0.5218238E-01 Ex_ueg -0.4981340E-01 Ec_ueg -0.7323365E-02 Delta_ex -0.5800753E-01 Delta_ec 0.1437783E-01 Delta_et -0.1874239E+00 Pxc 0.6801983E+01 Qxc -0.4034513E+01 3,-1 140 3 -1 -2.976697 -0.845504 -1.973436 Rho 0.1474029E+00 |GRAD(Rho)| 0.3606950E-15 GRAD(Rho)x -0.1434399E-15 GRAD(Rho)y -0.3277272E-15 GRAD(Rho)z 0.4605149E-16 Laplacian 0.5859280E+00 (-1/4)Del**2(Rho)) -0.1464820E+00 Diamond 0.1168146E+01 Metallicity 0.4837405E+01 Ellipticity 0.3627730E-01 Gb(Abramov) 0.2157534E+00 Vb(Abramov) -0.2850249E+00 Hb(Abramov) -0.6927145E-01 Ex_ueg -0.5750777E-01 Ec_ueg -0.8277471E-02 Delta_ex -0.6270907E-01 Delta_ec 0.1502934E-01 Delta_et -0.1998010E+00 Pxc 0.6947504E+01 Qxc -0.4172444E+01 3,-1 141 3 -1 -3.199595 0.056281 -3.187887 Rho 0.2532041E+00 |GRAD(Rho)| 0.8293665E-14 GRAD(Rho)x -0.7243121E-14 GRAD(Rho)y -0.3953001E-14 GRAD(Rho)z -0.8341852E-15 Laplacian 0.9145052E+00 (-1/4)Del**2(Rho)) -0.2286263E+00 Diamond 0.3442812E+01 Metallicity 0.7636215E+01 Ellipticity 0.1057670E-02 Gb(Abramov) 0.4433908E+00 Vb(Abramov) -0.6581554E+00 Hb(Abramov) -0.2147645E+00 Ex_ueg -0.1183076E+00 Ec_ueg -0.1535665E-01 Delta_ex -0.1120176E+00 Delta_ec 0.1981827E-01 Delta_et -0.2746195E+00 Pxc 0.7704001E+01 Qxc -0.5652239E+01 3,-1 142 3 -1 -3.200991 -0.057925 3.188765 Rho 0.2534186E+00 |GRAD(Rho)| 0.8212798E-16 GRAD(Rho)x 0.1344411E-16 GRAD(Rho)y 0.4323256E-16 GRAD(Rho)z 0.6852158E-16 Laplacian 0.9137779E+00 (-1/4)Del**2(Rho)) -0.2284445E+00 Diamond 0.3444996E+01 Metallicity 0.7653089E+01 Ellipticity 0.1037975E-02 Gb(Abramov) 0.4436806E+00 Vb(Abramov) -0.6589168E+00 Hb(Abramov) -0.2152362E+00 Ex_ueg -0.1184413E+00 Ec_ueg -0.1537163E-01 Delta_ex -0.1119604E+00 Delta_ec 0.1980987E-01 Delta_et -0.2745664E+00 Pxc 0.7705186E+01 Qxc -0.5651748E+01 3,-1 143 3 -1 -2.785131 1.826665 -0.576404 Rho 0.1318454E+00 |GRAD(Rho)| 0.5837221E-12 GRAD(Rho)x 0.7345483E-13 GRAD(Rho)y 0.4429234E-12 GRAD(Rho)z 0.3730345E-12 Laplacian 0.5557120E+00 (-1/4)Del**2(Rho)) -0.1389280E+00 Diamond 0.9545637E+00 Metallicity 0.4235178E+01 Ellipticity 0.9848065E-02 Gb(Abramov) 0.1906828E+00 Vb(Abramov) -0.2424376E+00 Hb(Abramov) -0.5175480E-01 Ex_ueg -0.4956080E-01 Ec_ueg -0.7291695E-02 Delta_ex -0.5771394E-01 Delta_ec 0.1434104E-01 Delta_et -0.1868543E+00 Pxc 0.6796884E+01 Qxc -0.4024391E+01 3,-1 144 3 -1 -2.972673 -1.990444 -0.831046 Rho 0.1293368E+00 |GRAD(Rho)| 0.4600652E-15 GRAD(Rho)x -0.2018920E-15 GRAD(Rho)y 0.2424276E-15 GRAD(Rho)z -0.3348558E-15 Laplacian 0.5118629E+00 (-1/4)Del**2(Rho)) -0.1279657E+00 Diamond 0.8619884E+00 Metallicity 0.4453108E+01 Ellipticity 0.3689873E-01 Gb(Abramov) 0.1802847E+00 Vb(Abramov) -0.2326036E+00 Hb(Abramov) -0.5231896E-01 Ex_ueg -0.4830752E-01 Ec_ueg -0.7134208E-02 Delta_ex -0.5294749E-01 Delta_ec 0.1333151E-01 Delta_et -0.1732867E+00 Pxc 0.6771251E+01 Qxc -0.3971605E+01 3,-1 145 3 -1 1.804708 -2.778094 -0.577142 Rho 0.1433420E+00 |GRAD(Rho)| 0.1787889E-15 GRAD(Rho)x -0.9606031E-16 GRAD(Rho)y 0.7567054E-16 GRAD(Rho)z 0.1304295E-15 Laplacian 0.6055192E+00 (-1/4)Del**2(Rho)) -0.1513798E+00 Diamond 0.1165365E+01 Metallicity 0.4467942E+01 Ellipticity 0.7974684E-02 Gb(Abramov) 0.2136459E+00 Vb(Abramov) -0.2759120E+00 Hb(Abramov) -0.6226609E-01 Ex_ueg -0.5540507E-01 Ec_ueg -0.8018675E-02 Delta_ex -0.6434357E-01 Delta_ec 0.1560091E-01 Delta_et -0.2064741E+00 Pxc 0.6909504E+01 Qxc -0.4124348E+01 3,-1 146 3 -1 2.976803 1.975344 -0.842235 Rho 0.1452472E+00 |GRAD(Rho)| 0.1236112E-11 GRAD(Rho)x 0.5127712E-12 GRAD(Rho)y -0.6856607E-12 GRAD(Rho)z -0.8915760E-12 Laplacian 0.5794356E+00 (-1/4)Del**2(Rho)) -0.1448589E+00 Diamond 0.1133985E+01 Metallicity 0.4772959E+01 Ellipticity 0.3222407E-01 Gb(Abramov) 0.2118069E+00 Vb(Abramov) -0.2787548E+00 Hb(Abramov) -0.6694796E-01 Ex_ueg -0.5638914E-01 Ec_ueg -0.8139965E-02 Delta_ex -0.6178117E-01 Delta_ec 0.1489903E-01 Delta_et -0.1976075E+00 Pxc 0.6927443E+01 Qxc -0.4146657E+01 3,-1 147 3 -1 2.787740 1.812351 0.576700 Rho 0.1427140E+00 |GRAD(Rho)| 0.1678464E-14 GRAD(Rho)x -0.9246686E-15 GRAD(Rho)y 0.1324380E-14 GRAD(Rho)z 0.4563407E-15 Laplacian 0.5994241E+00 (-1/4)Del**2(Rho)) -0.1498560E+00 Diamond 0.1147394E+01 Metallicity 0.4480467E+01 Ellipticity 0.1090025E-01 Gb(Abramov) 0.2118082E+00 Vb(Abramov) -0.2737604E+00 Hb(Abramov) -0.6195216E-01 Ex_ueg -0.5508169E-01 Ec_ueg -0.7978750E-02 Delta_ex -0.6362585E-01 Delta_ec 0.1545718E-01 Delta_et -0.2044319E+00 Pxc 0.6903549E+01 Qxc -0.4116266E+01 3,-1 148 3 -1 1.976258 2.973804 -0.842991 Rho 0.1438369E+00 |GRAD(Rho)| 0.3860575E-12 GRAD(Rho)x 0.2218583E-12 GRAD(Rho)y -0.1371040E-12 GRAD(Rho)z 0.2846433E-12 Laplacian 0.5735726E+00 (-1/4)Del**2(Rho)) -0.1433932E+00 Diamond 0.1109382E+01 Metallicity 0.4743968E+01 Ellipticity 0.3029682E-01 Gb(Abramov) 0.2089708E+00 Vb(Abramov) -0.2745485E+00 Hb(Abramov) -0.6557769E-01 Ex_ueg -0.5566027E-01 Ec_ueg -0.8050158E-02 Delta_ex -0.6100988E-01 Delta_ec 0.1478266E-01 Delta_et -0.1957817E+00 Pxc 0.6914183E+01 Qxc -0.4127124E+01 3,-1 149 3 -1 0.577642 2.774151 1.808979 Rho 0.1434027E+00 |GRAD(Rho)| 0.5205727E-13 GRAD(Rho)x 0.4596841E-14 GRAD(Rho)y -0.2651705E-13 GRAD(Rho)z -0.4456091E-13 Laplacian 0.6065036E+00 (-1/4)Del**2(Rho)) -0.1516259E+00 Diamond 0.1168002E+01 Metallicity 0.4463841E+01 Ellipticity 0.8746170E-02 Gb(Abramov) 0.2138896E+00 Vb(Abramov) -0.2761533E+00 Hb(Abramov) -0.6226368E-01 Ex_ueg -0.5543638E-01 Ec_ueg -0.8022539E-02 Delta_ex -0.6445641E-01 Delta_ec 0.1562745E-01 Delta_et -0.2068444E+00 Pxc 0.6910079E+01 Qxc -0.4124564E+01 3,-1 150 3 -1 1.690189 0.490098 -1.684829 Rho 0.3959997E-01 |GRAD(Rho)| 0.3090127E-12 GRAD(Rho)x -0.2952060E-12 GRAD(Rho)y -0.7238775E-13 GRAD(Rho)z 0.5569814E-13 Laplacian 0.1563869E+00 (-1/4)Del**2(Rho)) -0.3909672E-01 Diamond 0.5677119E-01 Metallicity 0.2027236E+01 Ellipticity 0.1110484E-01 Gb(Abramov) 0.3927419E-01 Vb(Abramov) -0.3945166E-01 Hb(Abramov) -0.1774709E-03 Ex_ueg -0.9968845E-02 Ec_ueg -0.1848627E-02 Delta_ex -0.1208776E-01 Delta_ec 0.4565878E-02 Delta_et -0.4524311E-01 Pxc 0.5392565E+01 Qxc -0.2647413E+01 3,-1 151 3 -1 3.197686 3.198179 0.055729 Rho 0.2537092E+00 |GRAD(Rho)| 0.1476261E-12 GRAD(Rho)x -0.1100058E-12 GRAD(Rho)y -0.9641571E-13 GRAD(Rho)z -0.1990484E-13 Laplacian 0.9137972E+00 (-1/4)Del**2(Rho)) -0.2284493E+00 Diamond 0.3449381E+01 Metallicity 0.7667560E+01 Ellipticity 0.9877280E-03 Gb(Abramov) 0.4442410E+00 Vb(Abramov) -0.6600327E+00 Hb(Abramov) -0.2157917E+00 Ex_ueg -0.1186224E+00 Ec_ueg -0.1539194E-01 Delta_ex -0.1119943E+00 Delta_ec 0.1979943E-01 Delta_et -0.2744084E+00 Pxc 0.7706789E+01 Qxc -0.5656443E+01 3,-1 152 3 -1 -3.195362 -3.206241 0.067576 Rho 0.2430554E+00 |GRAD(Rho)| 0.1288287E-15 GRAD(Rho)x 0.3897707E-16 GRAD(Rho)y 0.1208343E-15 GRAD(Rho)z 0.2183312E-16 Laplacian 0.8549439E+00 (-1/4)Del**2(Rho)) -0.2137360E+00 Diamond 0.3096278E+01 Metallicity 0.7629881E+01 Ellipticity 0.3485577E-03 Gb(Abramov) 0.4142873E+00 Vb(Abramov) -0.6148387E+00 Hb(Abramov) -0.2005514E+00 Ex_ueg -0.1120277E+00 Ec_ueg -0.1465058E-01 Delta_ex -0.1037738E+00 Delta_ec 0.1906025E-01 Delta_et -0.2652239E+00 Pxc 0.7646639E+01 Qxc -0.5444514E+01 3,-1 153 3 -1 -1.985765 -2.977089 -0.833761 Rho 0.1312709E+00 |GRAD(Rho)| 0.9371482E-16 GRAD(Rho)x 0.1830269E-16 GRAD(Rho)y 0.5335630E-16 GRAD(Rho)z -0.7483705E-16 Laplacian 0.5203514E+00 (-1/4)Del**2(Rho)) -0.1300879E+00 Diamond 0.8917706E+00 Metallicity 0.4490181E+01 Ellipticity 0.3970347E-01 Gb(Abramov) 0.1840782E+00 Vb(Abramov) -0.2380686E+00 Hb(Abramov) -0.5399037E-01 Ex_ueg -0.4927307E-01 Ec_ueg -0.7255591E-02 Delta_ex -0.5401564E-01 Delta_ec 0.1349841E-01 Delta_et -0.1758616E+00 Pxc 0.6791049E+01 Qxc -0.4001629E+01 3,-1 154 3 -1 -0.845422 -2.973800 -1.980418 Rho 0.1458007E+00 |GRAD(Rho)| 0.4201027E-13 GRAD(Rho)x 0.3032732E-13 GRAD(Rho)y 0.1920596E-13 GRAD(Rho)z -0.2182309E-13 Laplacian 0.5796038E+00 (-1/4)Del**2(Rho)) -0.1449010E+00 Diamond 0.1141156E+01 Metallicity 0.4801916E+01 Ellipticity 0.3312846E-01 Gb(Abramov) 0.2125677E+00 Vb(Abramov) -0.2802344E+00 Hb(Abramov) -0.6766672E-01 Ex_ueg -0.5667582E-01 Ec_ueg -0.8175242E-02 Delta_ex -0.6187365E-01 Delta_ec 0.1491986E-01 Delta_et -0.1980604E+00 Pxc 0.6932617E+01 Qxc -0.4147065E+01 3,-1 155 3 -1 0.059781 3.190954 3.196469 Rho 0.2534340E+00 |GRAD(Rho)| 0.1657665E-10 GRAD(Rho)x -0.2767462E-11 GRAD(Rho)y -0.1157752E-10 GRAD(Rho)z -0.1153635E-10 Laplacian 0.9132137E+00 (-1/4)Del**2(Rho)) -0.2283034E+00 Diamond 0.3443693E+01 Metallicity 0.7658589E+01 Ellipticity 0.1208401E-02 Gb(Abramov) 0.4436160E+00 Vb(Abramov) -0.6589285E+00 Hb(Abramov) -0.2153126E+00 Ex_ueg -0.1184508E+00 Ec_ueg -0.1537270E-01 Delta_ex -0.1118959E+00 Delta_ec 0.1980234E-01 Delta_et -0.2744864E+00 Pxc 0.7705271E+01 Qxc -0.5650640E+01 3,-1 156 3 -1 1.974171 -2.972977 0.841405 Rho 0.1422530E+00 |GRAD(Rho)| 0.9097229E-13 GRAD(Rho)x -0.6215739E-13 GRAD(Rho)y -0.6217124E-13 GRAD(Rho)z -0.2339131E-13 Laplacian 0.5669978E+00 (-1/4)Del**2(Rho)) -0.1417495E+00 Diamond 0.1083344E+01 Metallicity 0.4711227E+01 Ellipticity 0.2991054E-01 Gb(Abramov) 0.2058020E+00 Vb(Abramov) -0.2698545E+00 Hb(Abramov) -0.6405251E-01 Ex_ueg -0.5484456E-01 Ec_ueg -0.7949453E-02 Delta_ex -0.6016032E-01 Delta_ec 0.1467513E-01 Delta_et -0.1940859E+00 Pxc 0.6899162E+01 Qxc -0.4099473E+01 3,-1 157 3 -1 3.197551 -0.060998 -3.199274 Rho 0.2540214E+00 |GRAD(Rho)| 0.7509883E-15 GRAD(Rho)x 0.6787106E-15 GRAD(Rho)y -0.1428436E-16 GRAD(Rho)z -0.3211407E-15 Laplacian 0.9129829E+00 (-1/4)Del**2(Rho)) -0.2282457E+00 Diamond 0.3452559E+01 Metallicity 0.7690141E+01 Ellipticity 0.8363057E-03 Gb(Abramov) 0.4447041E+00 Vb(Abramov) -0.6611625E+00 Hb(Abramov) -0.2164584E+00 Ex_ueg -0.1188170E+00 Ec_ueg -0.1541375E-01 Delta_ex -0.1119363E+00 Delta_ec 0.1978445E-01 Delta_et -0.2742547E+00 Pxc 0.7708509E+01 Qxc -0.5657794E+01 3,-1 158 3 -1 3.206462 0.064074 3.197617 Rho 0.2431699E+00 |GRAD(Rho)| 0.2755770E-14 GRAD(Rho)x -0.1591771E-14 GRAD(Rho)y -0.6125607E-15 GRAD(Rho)z -0.2164555E-14 Laplacian 0.8546099E+00 (-1/4)Del**2(Rho)) -0.2136525E+00 Diamond 0.3097633E+01 Metallicity 0.7638855E+01 Ellipticity 0.3071659E-03 Gb(Abramov) 0.4144450E+00 Vb(Abramov) -0.6152376E+00 Hb(Abramov) -0.2007925E+00 Ex_ueg -0.1120981E+00 Ec_ueg -0.1465851E-01 Delta_ex -0.1037502E+00 Delta_ec 0.1905771E-01 Delta_et -0.2652267E+00 Pxc 0.7647301E+01 Qxc -0.5444002E+01 3,-1 159 3 -1 2.974962 0.840009 -1.976138 Rho 0.1414701E+00 |GRAD(Rho)| 0.2752740E-15 GRAD(Rho)x 0.1485154E-15 GRAD(Rho)y -0.1535095E-15 GRAD(Rho)z 0.1736485E-15 Laplacian 0.5635512E+00 (-1/4)Del**2(Rho)) -0.1408878E+00 Diamond 0.1069077E+01 Metallicity 0.4696642E+01 Ellipticity 0.2744623E-01 Gb(Abramov) 0.2042085E+00 Vb(Abramov) -0.2675291E+00 Hb(Abramov) -0.6332066E-01 Ex_ueg -0.5444247E-01 Ec_ueg -0.7899732E-02 Delta_ex -0.5970817E-01 Delta_ec 0.1459466E-01 Delta_et -0.1928389E+00 Pxc 0.6891686E+01 Qxc -0.4091097E+01 3,-1 160 3 -1 0.363072 -0.376913 0.356594 Rho 0.2030910E+00 |GRAD(Rho)| 0.3587292E-14 GRAD(Rho)x -0.2129306E-14 GRAD(Rho)y 0.1957554E-14 GRAD(Rho)z -0.2121958E-14 Laplacian 0.7319353E+00 (-1/4)Del**2(Rho)) -0.1829838E+00 Diamond 0.2373054E+01 Metallicity 0.6606300E+01 Ellipticity 0.4258930E-02 Gb(Abramov) 0.3234636E+00 Vb(Abramov) -0.4639433E+00 Hb(Abramov) -0.1404797E+00 Ex_ueg -0.8816698E-01 Ec_ueg -0.1192513E-01 Delta_ex -0.8639336E-01 Delta_ec 0.1999251E-01 Delta_et -0.2851648E+00 Pxc 0.7393375E+01 Qxc -0.4321287E+01 3,-1 161 3 -1 -0.573972 -2.784457 1.812910 Rho 0.1404819E+00 |GRAD(Rho)| 0.3890347E-15 GRAD(Rho)x 0.3232413E-15 GRAD(Rho)y 0.2121784E-15 GRAD(Rho)z 0.4293441E-16 Laplacian 0.5897970E+00 (-1/4)Del**2(Rho)) -0.1474493E+00 Diamond 0.1108343E+01 Metallicity 0.4435522E+01 Ellipticity 0.1087914E-01 Gb(Abramov) 0.2073019E+00 Vb(Abramov) -0.2671546E+00 Hb(Abramov) -0.5985265E-01 Ex_ueg -0.5393604E-01 Ec_ueg -0.7837033E-02 Delta_ex -0.6236994E-01 Delta_ec 0.1527827E-01 Delta_et -0.2016119E+00 Pxc 0.6882201E+01 Qxc -0.4082264E+01 3,-1 162 3 -1 1.683129 -1.694401 0.479742 Rho 0.4208886E-01 |GRAD(Rho)| 0.9349720E-14 GRAD(Rho)x 0.6457289E-14 GRAD(Rho)y -0.6201279E-14 GRAD(Rho)z -0.2695333E-14 Laplacian 0.1680277E+00 (-1/4)Del**2(Rho)) -0.4200692E-01 Diamond 0.6676467E-01 Metallicity 0.2088547E+01 Ellipticity 0.1031618E-01 Gb(Abramov) 0.4262685E-01 Vb(Abramov) -0.4324678E-01 Hb(Abramov) -0.6199296E-03 Ex_ueg -0.1081288E-01 Ec_ueg -0.1982484E-02 Delta_ex -0.1321318E-01 Delta_ec 0.4951674E-02 Delta_et -0.4987966E-01 Pxc 0.5454207E+01 Qxc -0.2668427E+01 3,-1 163 3 -1 1.826022 0.575728 2.788071 Rho 0.1320679E+00 |GRAD(Rho)| 0.4693555E-13 GRAD(Rho)x -0.4084051E-13 GRAD(Rho)y 0.5887679E-14 GRAD(Rho)z -0.2236814E-13 Laplacian 0.5561918E+00 (-1/4)Del**2(Rho)) -0.1390480E+00 Diamond 0.9569343E+00 Metallicity 0.4243431E+01 Ellipticity 0.9837121E-02 Gb(Abramov) 0.1910387E+00 Vb(Abramov) -0.2430295E+00 Hb(Abramov) -0.5199075E-01 Ex_ueg -0.4967234E-01 Ec_ueg -0.7305682E-02 Delta_ex -0.5778277E-01 Delta_ec 0.1433934E-01 Delta_et -0.1868656E+00 Pxc 0.6799138E+01 Qxc -0.4029666E+01 3,-1 164 3 -1 2.792633 0.579287 1.822668 Rho 0.1339175E+00 |GRAD(Rho)| 0.6341433E-12 GRAD(Rho)x -0.9555015E-13 GRAD(Rho)y -0.3687044E-12 GRAD(Rho)z 0.5070157E-12 Laplacian 0.5648190E+00 (-1/4)Del**2(Rho)) -0.1412048E+00 Diamond 0.9876437E+00 Metallicity 0.4276609E+01 Ellipticity 0.1248608E-01 Gb(Abramov) 0.1947828E+00 Vb(Abramov) -0.2483608E+00 Hb(Abramov) -0.5357801E-01 Ex_ueg -0.5060207E-01 Ec_ueg -0.7422096E-02 Delta_ex -0.5887150E-01 Delta_ec 0.1450232E-01 Delta_et -0.1893778E+00 Pxc 0.6817761E+01 Qxc -0.4059455E+01 3,-1 165 3 -1 -2.790093 -0.577555 1.804750 Rho 0.1443213E+00 |GRAD(Rho)| 0.1024077E-12 GRAD(Rho)x 0.1363798E-13 GRAD(Rho)y 0.6767280E-13 GRAD(Rho)z 0.7564209E-13 Laplacian 0.6066142E+00 (-1/4)Del**2(Rho)) -0.1516536E+00 Diamond 0.1176450E+01 Metallicity 0.4510775E+01 Ellipticity 0.1124677E-01 Gb(Abramov) 0.2151149E+00 Vb(Abramov) -0.2785762E+00 Hb(Abramov) -0.6346132E-01 Ex_ueg -0.5591035E-01 Ec_ueg -0.8080990E-02 Delta_ex -0.6456081E-01 Delta_ec 0.1559164E-01 Delta_et -0.2065335E+00 Pxc 0.6918749E+01 Qxc -0.4140733E+01 3,-1 166 3 -1 -2.785332 0.577732 -1.806173 Rho 0.1452464E+00 |GRAD(Rho)| 0.3535865E-15 GRAD(Rho)x 0.9820161E-16 GRAD(Rho)y -0.2944558E-15 GRAD(Rho)z -0.1693388E-15 Laplacian 0.6109882E+00 (-1/4)Del**2(Rho)) -0.1527471E+00 Diamond 0.1193959E+01 Metallicity 0.4526430E+01 Ellipticity 0.1162714E-01 Gb(Abramov) 0.2170645E+00 Vb(Abramov) -0.2813820E+00 Hb(Abramov) -0.6431745E-01 Ex_ueg -0.5638870E-01 Ec_ueg -0.8139911E-02 Delta_ex -0.6512692E-01 Delta_ec 0.1567754E-01 Delta_et -0.2078610E+00 Pxc 0.6927435E+01 Qxc -0.4154153E+01 3,-1 167 3 -1 -1.820663 -2.791826 0.580417 Rho 0.1354321E+00 |GRAD(Rho)| 0.5028941E-15 GRAD(Rho)x 0.3708514E-15 GRAD(Rho)y -0.5150299E-16 GRAD(Rho)z 0.3357368E-15 Laplacian 0.5709633E+00 (-1/4)Del**2(Rho)) -0.1427408E+00 Diamond 0.1010939E+01 Metallicity 0.4310632E+01 Ellipticity 0.1339096E-01 Gb(Abramov) 0.1977111E+00 Vb(Abramov) -0.2526813E+00 Hb(Abramov) -0.5497026E-01 Ex_ueg -0.5136656E-01 Ec_ueg -0.7517585E-02 Delta_ex -0.5966308E-01 Delta_ec 0.1459911E-01 Delta_et -0.1909285E+00 Pxc 0.6832854E+01 Qxc -0.4086761E+01 3,-1 168 3 -1 -2.977650 0.843048 1.971252 Rho 0.1455971E+00 |GRAD(Rho)| 0.2957160E-14 GRAD(Rho)x 0.1116782E-14 GRAD(Rho)y -0.2120794E-14 GRAD(Rho)z 0.1731999E-14 Laplacian 0.5792594E+00 (-1/4)Del**2(Rho)) -0.1448148E+00 Diamond 0.1138227E+01 Metallicity 0.4793597E+01 Ellipticity 0.3369215E-01 Gb(Abramov) 0.2122406E+00 Vb(Abramov) -0.2796663E+00 Hb(Abramov) -0.6742571E-01 Ex_ueg -0.5657035E-01 Ec_ueg -0.8162266E-02 Delta_ex -0.6181225E-01 Delta_ec 0.1490986E-01 Delta_et -0.1978735E+00 Pxc 0.6930716E+01 Qxc -0.4145730E+01 3,-1 169 3 -1 -0.363159 -0.361943 -0.371689 Rho 0.2030561E+00 |GRAD(Rho)| 0.1343334E-15 GRAD(Rho)x -0.1144158E-15 GRAD(Rho)y -0.1836825E-16 GRAD(Rho)z -0.6794918E-16 Laplacian 0.7313209E+00 (-1/4)Del**2(Rho)) -0.1828302E+00 Diamond 0.2370269E+01 Metallicity 0.6609955E+01 Ellipticity 0.4135813E-02 Gb(Abramov) 0.3233034E+00 Vb(Abramov) -0.4637766E+00 Hb(Abramov) -0.1404732E+00 Ex_ueg -0.8814677E-01 Ec_ueg -0.1192279E-01 Delta_ex -0.8631514E-01 Delta_ec 0.1997300E-01 Delta_et -0.2848695E+00 Pxc 0.7393132E+01 Qxc -0.4321591E+01 3,-1 170 3 -1 -0.360080 0.354547 0.368656 Rho 0.2034105E+00 |GRAD(Rho)| 0.4803188E-15 GRAD(Rho)x 0.3239140E-15 GRAD(Rho)y -0.2460711E-15 GRAD(Rho)z -0.2554112E-15 Laplacian 0.7337038E+00 (-1/4)Del**2(Rho)) -0.1834259E+00 Diamond 0.2382912E+01 Metallicity 0.6607664E+01 Ellipticity 0.3648105E-02 Gb(Abramov) 0.3242868E+00 Vb(Abramov) -0.4651476E+00 Hb(Abramov) -0.1408609E+00 Ex_ueg -0.8835195E-01 Ec_ueg -0.1194657E-01 Delta_ex -0.8663345E-01 Delta_ec 0.2002837E-01 Delta_et -0.2857202E+00 Pxc 0.7395591E+01 Qxc -0.4325536E+01 3,-1 171 3 -1 0.366564 0.361086 -0.360109 Rho 0.2013142E+00 |GRAD(Rho)| 0.1345468E-15 GRAD(Rho)x 0.8698888E-16 GRAD(Rho)y 0.3362235E-16 GRAD(Rho)z -0.9698104E-16 Laplacian 0.7144653E+00 (-1/4)Del**2(Rho)) -0.1786163E+00 Diamond 0.2296326E+01 Metallicity 0.6669441E+01 Ellipticity 0.8121961E-03 Gb(Abramov) 0.3176227E+00 Vb(Abramov) -0.4566291E+00 Hb(Abramov) -0.1390064E+00 Ex_ueg -0.8714002E-01 Ec_ueg -0.1180601E-01 Delta_ex -0.8417610E-01 Delta_ec 0.1960995E-01 Delta_et -0.2795454E+00 Pxc 0.7380987E+01 Qxc -0.4292520E+01 3,-1 172 3 -1 -1.809473 0.574715 -2.774102 Rho 0.1395692E+00 |GRAD(Rho)| 0.2517419E-13 GRAD(Rho)x 0.8032041E-15 GRAD(Rho)y -0.2442598E-13 GRAD(Rho)z -0.6038735E-14 Laplacian 0.5897219E+00 (-1/4)Del**2(Rho)) -0.1474305E+00 Diamond 0.1099980E+01 Metallicity 0.4388155E+01 Ellipticity 0.8385778E-02 Gb(Abramov) 0.2061116E+00 Vb(Abramov) -0.2647928E+00 Hb(Abramov) -0.5868114E-01 Ex_ueg -0.5346931E-01 Ec_ueg -0.7779175E-02 Delta_ex -0.6226780E-01 Delta_ec 0.1530881E-01 Delta_et -0.2018322E+00 Pxc 0.6873391E+01 Qxc -0.4067449E+01 3,-1 173 3 -1 -1.980087 0.841368 2.968739 Rho 0.1426618E+00 |GRAD(Rho)| 0.5127334E-15 GRAD(Rho)x -0.3622862E-15 GRAD(Rho)y -0.3244882E-15 GRAD(Rho)z -0.1623322E-15 Laplacian 0.5693776E+00 (-1/4)Del**2(Rho)) -0.1423444E+00 Diamond 0.1091419E+01 Metallicity 0.4714030E+01 Ellipticity 0.2923870E-01 Gb(Abramov) 0.2067322E+00 Vb(Abramov) -0.2711201E+00 Hb(Abramov) -0.6438784E-01 Ex_ueg -0.5505483E-01 Ec_ueg -0.7975432E-02 Delta_ex -0.6045266E-01 Delta_ec 0.1472205E-01 Delta_et -0.1947806E+00 Pxc 0.6903053E+01 Qxc -0.4106266E+01 3,-1 174 3 -1 0.842161 1.978030 -2.972904 Rho 0.1419567E+00 |GRAD(Rho)| 0.1266102E-15 GRAD(Rho)x 0.1660185E-16 GRAD(Rho)y -0.1253067E-15 GRAD(Rho)z -0.7264155E-17 Laplacian 0.5664363E+00 (-1/4)Del**2(Rho)) -0.1416091E+00 Diamond 0.1078587E+01 Metallicity 0.4699541E+01 Ellipticity 0.2792460E-01 Gb(Abramov) 0.2053223E+00 Vb(Abramov) -0.2690356E+00 Hb(Abramov) -0.6371326E-01 Ex_ueg -0.5469233E-01 Ec_ueg -0.7930635E-02 Delta_ex -0.6005973E-01 Delta_ec 0.1464933E-01 Delta_et -0.1936447E+00 Pxc 0.6896337E+01 Qxc -0.4099826E+01 3,-1 175 3 -1 -1.983779 2.976429 0.833640 Rho 0.1338213E+00 |GRAD(Rho)| 0.9032730E-13 GRAD(Rho)x -0.2030896E-13 GRAD(Rho)y 0.4074947E-14 GRAD(Rho)z 0.8792020E-13 Laplacian 0.5308513E+00 (-1/4)Del**2(Rho)) -0.1327128E+00 Diamond 0.9308399E+00 Metallicity 0.4544810E+01 Ellipticity 0.4184137E-01 Gb(Abramov) 0.1890010E+00 Vb(Abramov) -0.2452891E+00 Hb(Abramov) -0.5628816E-01 Ex_ueg -0.5055360E-01 Ec_ueg -0.7416034E-02 Delta_ex -0.5536072E-01 Delta_ec 0.1370281E-01 Delta_et -0.1790567E+00 Pxc 0.6816797E+01 Qxc -0.4040101E+01 3,-1 176 3 -1 0.579319 1.805613 2.786268 Rho 0.1448396E+00 |GRAD(Rho)| 0.3268173E-15 GRAD(Rho)x -0.7495903E-16 GRAD(Rho)y 0.3075882E-15 GRAD(Rho)z 0.8111865E-16 Laplacian 0.6088897E+00 (-1/4)Del**2(Rho)) -0.1522224E+00 Diamond 0.1185668E+01 Metallicity 0.4520852E+01 Ellipticity 0.1107673E-01 Gb(Abramov) 0.2161774E+00 Vb(Abramov) -0.2801325E+00 Hb(Abramov) -0.6395503E-01 Ex_ueg -0.5617826E-01 Ec_ueg -0.8113999E-02 Delta_ex -0.6485676E-01 Delta_ec 0.1563093E-01 Delta_et -0.2071507E+00 Pxc 0.6923622E+01 Qxc -0.4149257E+01 3,-1 177 3 -1 1.810493 2.777285 0.574126 Rho 0.1421552E+00 |GRAD(Rho)| 0.1185227E-15 GRAD(Rho)x -0.6396793E-16 GRAD(Rho)y -0.8721051E-16 GRAD(Rho)z -0.4847739E-16 Laplacian 0.6005794E+00 (-1/4)Del**2(Rho)) -0.1501448E+00 Diamond 0.1144862E+01 Metallicity 0.4442706E+01 Ellipticity 0.8685439E-02 Gb(Abramov) 0.2112715E+00 Vb(Abramov) -0.2723981E+00 Hb(Abramov) -0.6112661E-01 Ex_ueg -0.5479432E-01 Ec_ueg -0.7943243E-02 Delta_ex -0.6369459E-01 Delta_ec 0.1551446E-01 Delta_et -0.2050966E+00 Pxc 0.6898231E+01 Qxc -0.4105498E+01 3,-1 178 3 +3 -1.838846 1.837204 1.818951 Rho 0.1214900E-01 |GRAD(Rho)| 0.1379091E-16 GRAD(Rho)x -0.3338210E-17 GRAD(Rho)y 0.4474928E-17 GRAD(Rho)z 0.1261034E-16 Laplacian 0.5562198E-01 (-1/4)Del**2(Rho)) -0.1390550E-01 Diamond 0.1210460E-02 Metallicity 0.7954283E+00 Ellipticity -0.6633622E+00 Gb(Abramov) 0.1111380E-01 Vb(Abramov) -0.8322107E-02 Hb(Abramov) 0.2791694E-02 Ex_ueg -0.2062715E-02 Ec_ueg -0.4664518E-03 Delta_ex -0.2442700E-02 Delta_ec 0.1858427E-03 Delta_et -0.1806995E-02 Pxc 0.4422139E+01 Qxc -0.1314391E+02 3,+3 179 3 -1 0.055112 -3.194742 -3.197232 Rho 0.2536110E+00 |GRAD(Rho)| 0.3294916E-15 GRAD(Rho)x -0.1071192E-15 GRAD(Rho)y 0.2857957E-15 GRAD(Rho)z 0.1241411E-15 Laplacian 0.9139002E+00 (-1/4)Del**2(Rho)) -0.2284750E+00 Diamond 0.3448386E+01 Metallicity 0.7661749E+01 Ellipticity 0.9192387E-03 Gb(Abramov) 0.4440698E+00 Vb(Abramov) -0.6596645E+00 Hb(Abramov) -0.2155947E+00 Ex_ueg -0.1185612E+00 Ec_ueg -0.1538507E-01 Delta_ex -0.1119966E+00 Delta_ec 0.1980599E-01 Delta_et -0.2745070E+00 Pxc 0.7706248E+01 Qxc -0.5654686E+01 3,-1 180 3 -1 -0.052818 -3.192433 3.201021 Rho 0.2534292E+00 |GRAD(Rho)| 0.6117577E-15 GRAD(Rho)x 0.1900064E-15 GRAD(Rho)y 0.3213575E-15 GRAD(Rho)z -0.4846384E-15 Laplacian 0.9135375E+00 (-1/4)Del**2(Rho)) -0.2283844E+00 Diamond 0.3444386E+01 Metallicity 0.7655636E+01 Ellipticity 0.1164330E-02 Gb(Abramov) 0.4436609E+00 Vb(Abramov) -0.6589373E+00 Hb(Abramov) -0.2152765E+00 Ex_ueg -0.1184479E+00 Ec_ueg -0.1537237E-01 Delta_ex -0.1119328E+00 Delta_ec 0.1980550E-01 Delta_et -0.2745111E+00 Pxc 0.7705244E+01 Qxc -0.5651603E+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 98 123 161 99 125 180 122 93 124 121 154 179 135 81 86 174 104 91 84 176 149 85 90 155 162 111 145 112 156 137 109 147 177 146 148 151 60 143 139 116 175 59 63 117 167 144 153 152 119 166 172 140 67 141 78 165 118 168 173 142 134 164 163 114 132 158 150 138 133 159 105 157 160 169 171 170 1 1 1 1 1 1 2 2 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 13 14 15 16 13 24 26 33 39 41 14 21 28 36 37 42 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 52 53 53 53 53 2.456867 1.929549 1.938123 1.931182 1.938358 1.723388 2.458124 1.935721 1.931130 1.936656 1.933850 1.723129 2.474445 1.924182 1.926233 1.943631 1.941924 1.722830 2.458987 1.925959 1.929045 1.939162 1.941719 1.723391 2.440719 1.928131 1.929458 1.939528 1.943085 1.723416 2.455588 1.931787 1.932567 1.934583 1.938500 1.722998 2.505002 1.938646 1.936975 1.950472 1.943584 1.712154 2.502272 1.935471 1.927942 1.957719 1.951429 1.712307 2.443913 1.924674 1.939887 1.929555 1.944515 1.723693 2.454473 1.927285 1.933020 1.934270 1.941768 1.723395 2.507618 1.932298 1.938073 1.946475 1.954163 1.712137 2.469191 1.931970 1.924266 1.945223 1.935914 1.722577 1.555394 1.555514 1.559370 1.554754 2.457923 1.929967 1.938581 1.931831 1.938984 1.723390 2.459183 1.936095 1.931558 1.937325 1.934463 1.723130 2.475444 1.924601 1.926687 1.944260 1.942603 1.722832 2.460046 1.926372 1.929459 1.939833 1.942336 1.723395 2.441805 1.928558 1.929833 1.940188 1.943717 1.723419 2.456637 1.932199 1.932935 1.935207 1.939165 1.723002 2.505942 1.939184 1.937520 1.951295 1.944407 1.712162 2.503216 1.936004 1.928483 1.958561 1.952262 1.712314 2.444994 1.925092 1.940255 1.930166 1.945178 1.723694 2.455538 1.927702 1.933430 1.934886 1.942390 1.723397 2.508550 1.932836 1.938612 1.947301 1.954994 1.712145 2.470207 1.932343 1.924642 1.945862 1.936584 1.722579 1.555401 1.555529 1.559374 1.554767 29 26 25 26 23 20 29 23 25 25 23 21 29 26 26 23 27 20 29 23 26 27 23 22 27 26 23 27 23 21 29 23 23 23 26 22 29 23 23 23 23 22 29 23 23 23 23 20 27 23 23 23 26 21 29 23 25 23 23 20 29 23 25 23 23 20 29 23 23 23 25 20 20 21 20 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 W W W W W W Mo Mo W W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O P 2.5046 2.5096 2.5178 2.5055 2.5110 2.5183 2.3845 2.3844 2.5071 2.5067 2.3868 2.5211 -1.0499 -1.0503 -1.0546 -1.0485 -0.9159 -0.9492 -0.9161 -0.9161 -0.9503 -0.9177 -0.9480 -0.9476 -0.9162 -0.9167 -0.9472 -0.9496 -0.9102 -0.9110 -0.9474 -0.9104 -0.9117 -0.9485 -0.9452 -0.9448 -0.9105 -0.9109 -0.9444 -0.9479 -0.7346 -0.7346 -0.7347 -0.7346 -0.7346 -0.7343 -0.6546 -0.6550 -0.7351 -0.7343 -0.6548 -0.7342 2.3550 2.0828 2.0843 2.0807 2.0829 2.0844 2.0810 1.9486 1.9476 2.0828 2.0828 1.9456 2.0826 1.8928 1.8929 1.8920 1.8931 1.9391 1.9351 1.9391 1.9392 1.9348 1.9391 1.9357 1.9357 1.9389 1.9394 1.9357 1.9351 1.9495 1.9492 1.9469 1.9492 1.9493 1.9469 1.9483 1.9483 1.9493 1.9495 1.9482 1.9469 1.9755 1.9758 1.9757 1.9756 1.9756 1.9755 1.9875 1.9875 1.9754 1.9754 1.9876 1.9759 2.4892 6.0878 6.0887 6.0836 6.0877 6.0877 6.0824 6.0570 6.0578 6.0869 6.0870 6.0576 6.0843 5.1163 5.1165 5.1219 5.1146 4.9482 4.9835 4.9486 4.9484 4.9850 4.9502 4.9820 4.9815 4.9488 4.9490 4.9809 4.9840 4.9298 4.9310 4.9673 4.9302 4.9315 4.9684 4.9638 4.9633 4.9303 4.9305 4.9630 4.9678 4.7205 4.7202 4.7204 4.7205 4.7205 4.7202 4.6304 4.6309 4.7212 4.7203 4.6306 4.7197 7.3197 3.2958 3.2883 3.2890 3.2949 3.2878 3.2892 3.6099 3.6102 3.2941 3.2945 3.6100 3.2830 0.0409 0.0409 0.0407 0.0407 0.0285 0.0306 0.0285 0.0284 0.0305 0.0285 0.0304 0.0304 0.0285 0.0283 0.0305 0.0305 0.0308 0.0308 0.0332 0.0309 0.0309 0.0332 0.0332 0.0332 0.0309 0.0308 0.0332 0.0331 0.0386 0.0386 0.0386 0.0386 0.0385 0.0386 0.0366 0.0366 0.0385 0.0386 0.0367 0.0386 0.8361 14.0290 14.0290 14.0290 14.0290 14.0291 14.0290 0.0000 0.0000 14.0291 14.0290 0.0000 14.0290 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 W W W W W W Mo Mo W W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O P 2.525441 2.526876 2.525447 2.525690 2.527990 2.526992 3.188373 3.187469 2.526290 2.526030 3.187491 2.527318 -1.066197 -1.066549 -1.037043 -1.065654 -1.049732 -0.936162 -1.049039 -1.050619 -0.936904 -1.049891 -0.934483 -0.934072 -1.049615 -1.052105 -0.933613 -0.936594 -1.021731 -1.019102 -0.912452 -1.020701 -1.020080 -0.913217 -0.909732 -0.909742 -1.020806 -1.022576 -0.909359 -0.912804 -0.756126 -0.756067 -0.756405 -0.756179 -0.756503 -0.756319 -0.919565 -0.919903 -0.756893 -0.756121 -0.919575 -0.756086 2.004912 1.960048 1.954991 1.956078 1.959496 1.954997 1.956574 2.377252 2.376989 1.960432 1.960302 2.376450 1.951651 -0.815020 -0.815281 -0.769654 -0.818254 -0.799151 -0.699639 -0.799639 -0.799832 -0.700092 -0.799856 -0.699453 -0.696552 -0.800563 -0.800238 -0.697885 -0.698207 -0.822281 -0.820028 -0.734483 -0.819064 -0.821942 -0.736449 -0.729879 -0.733581 -0.822343 -0.820970 -0.730955 -0.733208 -0.634029 -0.636601 -0.638451 -0.634435 -0.637538 -0.638796 -0.677159 -0.677316 -0.635044 -0.634119 -0.677260 -0.640602 1.550586 2.058093 2.052841 2.054897 2.058013 2.052800 2.055145 2.460104 2.459337 2.058716 2.057939 2.459741 2.049444 -0.854739 -0.854847 -0.823514 -0.857462 -0.872787 -0.774905 -0.873686 -0.874650 -0.776454 -0.874010 -0.777887 -0.776069 -0.874317 -0.875263 -0.775845 -0.774732 -0.861274 -0.856167 -0.768329 -0.855525 -0.860243 -0.773652 -0.769469 -0.774036 -0.861272 -0.860712 -0.769531 -0.767839 -0.597976 -0.600595 -0.605561 -0.598088 -0.601372 -0.605987 -0.637608 -0.637829 -0.599110 -0.597987 -0.637576 -0.607973 1.519810 -0.77034333 0.13614746 0.86391532 1.16546757 3.78633315 0.23815817 3.55051031 -0.00264167 -0.24164892 -3.78369148 -405.2292 407.5541 -71.8884 -380.1730 -10.3070 -460.0435 Apr14-2024 18:10:24 Nodes: 1 Procs: 1 Apr14-2024 18:10:25 Nodes: 1 Procs: 1 0 Apr14-2024 18:10:25 Nodes: 1 Procs: 1 Apr14-2024 18:10:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr14-2024 18:10:27 Nodes: 1 Procs: 1 Apr14-2024 18:10:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr14-2024 18:10:28 Nodes: 1 Procs: 1 Apr14-2024 18:10:28 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr14-2024 18:10:30 Nodes: 1 Procs: 24 *** (NO TITLE) *** -3 -16.90167730 -16.90296451 -16.90372015 -16.90394360 -16.90444168 -16.90512382 -16.90550424 -16.90589504 -16.90601310 -16.90612495 -16.90618336 -16.90621107 -16.90623521 -16.90626685 -16.90628645 GEOMETRY CONVERGED