ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May06-2024 12:50:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.33 0.04 0.42 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 May06-2024 12:50:08 Nodes: 1 Procs: 1 May06-2024 12:50:08 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May06-2024 12:50:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 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 May06-2024 12:50:08 Nodes: 1 Procs: 1 May06-2024 12:50:08 Nodes: 1 Procs: 1 0 May06-2024 12:50:09 Nodes: 1 Procs: 1 May06-2024 12:50:09 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May06-2024 12:50:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.01 0.66 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 May06-2024 12:50:08 Nodes: 1 Procs: 1 May06-2024 12:50:08 Nodes: 1 Procs: 1 0 May06-2024 12:50:09 Nodes: 1 Procs: 1 May06-2024 12:50:09 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May06-2024 12:50:10 Nodes: 1 Procs: 1 May06-2024 12:50:10 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May06-2024 12:50:11 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.03 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 May06-2024 12:50:08 Nodes: 1 Procs: 1 May06-2024 12:50:08 Nodes: 1 Procs: 1 0 May06-2024 12:50:09 Nodes: 1 Procs: 1 May06-2024 12:50:09 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May06-2024 12:50:10 Nodes: 1 Procs: 1 May06-2024 12:50:10 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May06-2024 12:50:11 Nodes: 1 Procs: 1 May06-2024 12:50:11 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May06-2024 12:50:12 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) 1.33 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 May06-2024 12:50:08 Nodes: 1 Procs: 1 May06-2024 12:50:08 Nodes: 1 Procs: 1 0 May06-2024 12:50:09 Nodes: 1 Procs: 1 May06-2024 12:50:09 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May06-2024 12:50:10 Nodes: 1 Procs: 1 May06-2024 12:50:10 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May06-2024 12:50:11 Nodes: 1 Procs: 1 May06-2024 12:50:11 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May06-2024 12:50:12 Nodes: 1 Procs: 1 May06-2024 12:50:13 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May06-2024 12:50:15 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2325.590361000001 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244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.041 -6.999 -6.944 -6.893 -6.884 -6.846 -6.814 -6.795 -6.609 -6.552 -4.233 -4.085 -3.696 -3.674 -3.508 -3.380 -3.254 -3.157 -3.074 -3.043 A A A A A A A A A A A A A A A A A A A A 0.00000000072637 0.00044156553397 0.00028627858761 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 74 74 74 74 74 74 74 15 42 42 42 42 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 0.081222 -2.549845 2.516225 0.112293 2.479009 -2.507611 -2.555892 2.511951 0.132923 -2.618628 -2.483350 -0.085327 -2.568724 -0.105733 -2.551430 -2.532541 0.120527 2.603353 2.554614 -0.161000 2.545425 -0.077203 -0.022015 -0.010716 -0.064433 2.556632 2.554344 2.476959 -2.613546 -0.014021 2.569946 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3.764168 0.218062 -3.757786 3.716336 -0.184978 -3.832493 -3.674776 0.236258 -3.791218 0.317271 -3.700934 -3.731426 -0.167639 3.816970 3.735262 0.148925 3.773028 -1.566867 -2.364478 -2.877024 -0.574611 -3.357745 -1.286640 1.135577 -1.962126 -2.435117 1 3 -3 0.081222 -2.549845 2.516225 Rho 0.4361414E+07 3,-3 2 3 -3 0.112293 2.479009 -2.507611 Rho 0.4361414E+07 3,-3 3 3 -3 -2.555892 2.511951 0.132923 Rho 0.4361414E+07 3,-3 4 3 -3 -2.618628 -2.483350 -0.085327 Rho 0.4361414E+07 3,-3 5 3 -3 -2.568724 -0.105733 -2.551430 Rho 0.4361414E+07 3,-3 6 3 -3 -2.532541 0.120527 2.603353 Rho 0.4361414E+07 3,-3 7 3 -3 2.554614 -0.161000 2.545425 Rho 0.4361414E+07 3,-3 8 3 -3 -0.077203 -0.022015 -0.010716 Rho 0.2439519E+04 3,-3 9 3 -3 -0.064433 2.556632 2.554344 Rho 0.1240649E+06 3,-3 10 3 -3 2.476959 -2.613546 -0.014021 Rho 0.1240649E+06 3,-3 11 3 -3 2.569946 2.542833 -0.068865 Rho 0.1240649E+06 3,-3 12 3 -3 2.624435 0.065050 -2.570757 Rho 0.1240649E+06 3,-3 13 3 -3 0.839369 -0.919453 0.885551 Rho 0.3187807E+03 3,-3 14 3 -3 -1.030558 -0.882377 -0.869170 Rho 0.3187781E+03 3,-3 15 3 -3 0.838454 0.865220 -0.909345 Rho 0.3187819E+03 3,-3 16 3 -3 -0.926497 0.906725 0.932675 Rho 0.3187706E+03 3,-3 17 3 -3 -3.049162 -1.153425 1.227264 Rho 0.3188771E+03 3,-3 18 3 -3 3.095779 -1.151789 -1.154005 Rho 0.3190007E+03 3,-3 19 3 -3 -3.035555 1.130702 -1.129303 Rho 0.3188793E+03 3,-3 20 3 -3 3.005518 1.209365 1.222615 Rho 0.3189502E+03 3,-3 21 3 -3 1.370553 -1.266055 -3.126205 Rho 0.3188367E+03 3,-3 22 3 -3 1.154842 1.188555 3.013835 Rho 0.3189830E+03 3,-3 23 3 -3 -1.164071 1.083766 -3.025907 Rho 0.3188755E+03 3,-3 24 3 -3 -1.180015 -1.152460 3.049856 Rho 0.3188774E+03 3,-3 25 3 -3 -1.184661 2.959961 -1.175642 Rho 0.3188718E+03 3,-3 26 3 -3 -1.196210 -2.997705 1.176094 Rho 0.3188745E+03 3,-3 27 3 -3 1.141218 3.065475 1.152180 Rho 0.3190208E+03 3,-3 28 3 -3 1.209497 -3.064679 -1.198009 Rho 0.3192761E+03 3,-3 29 3 -3 3.365155 -1.467783 1.516672 Rho 0.3190584E+03 3,-3 30 3 -3 -3.483031 -1.498148 -1.460305 Rho 0.3189642E+03 3,-3 31 3 -3 3.390499 1.513816 -1.454953 Rho 0.3191025E+03 3,-3 32 3 -3 -3.417870 1.493374 1.532740 Rho 0.3189655E+03 3,-3 33 3 -3 1.446351 -1.470299 3.413125 Rho 0.3189544E+03 3,-3 34 3 -3 1.517923 1.444289 -3.377989 Rho 0.3190337E+03 3,-3 35 3 -3 -1.519831 1.533845 3.415835 Rho 0.3190243E+03 3,-3 36 3 -3 -1.810675 -1.606570 -3.481591 Rho 0.3187469E+03 3,-3 37 3 -3 -1.555791 -3.465313 -1.426469 Rho 0.3187195E+03 3,-3 38 3 -3 -1.520648 3.387822 1.491785 Rho 0.3190290E+03 3,-3 39 3 -3 1.496313 -3.379648 1.526880 Rho 0.3190070E+03 3,-3 40 3 -3 1.488055 3.359518 -1.507170 Rho 0.3190313E+03 3,-3 41 3 -3 -0.214694 -3.750608 3.726534 Rho 0.3193656E+03 3,-3 42 3 -3 3.886614 -0.107935 -3.728292 Rho 0.3194980E+03 3,-3 43 3 -3 -0.187565 3.661298 -3.735141 Rho 0.3193716E+03 3,-3 44 3 -3 0.216274 3.768645 3.743967 Rho 0.3195020E+03 3,-3 45 3 -3 3.726429 -3.789578 -0.218977 Rho 0.3194708E+03 3,-3 46 3 -3 3.745707 3.764168 0.218062 Rho 0.3195112E+03 3,-3 47 3 -3 -3.757786 3.716336 -0.184978 Rho 0.3193633E+03 3,-3 48 3 -3 -3.832493 -3.674776 0.236258 Rho 0.3193606E+03 3,-3 49 3 -3 -3.791218 0.317271 -3.700934 Rho 0.3193601E+03 3,-3 50 3 -3 -3.731426 -0.167639 3.816970 Rho 0.3193661E+03 3,-3 51 3 -3 3.735262 0.148925 3.773028 Rho 0.3193593E+03 3,-3 52 3 -3 -1.566867 -2.364478 -2.877024 Rho 0.4380295E+00 3,-3 53 3 -3 -0.574611 -3.357745 -1.286640 Rho 0.4412682E+00 3,-3 54 3 -3 1.135577 -1.962126 -2.435117 Rho 0.4295611E+00 3,-3 55 3 -1 -3.275268 -3.128191 0.087792 Rho 0.2480563E+00 |GRAD(Rho)| 0.3673202E-13 GRAD(Rho)x -0.7243663E-14 GRAD(Rho)y -0.2118184E-13 GRAD(Rho)z 0.2912216E-13 Laplacian 0.9119478E+00 (-1/4)Del**2(Rho)) -0.2279870E+00 Diamond 0.3338471E+01 Metallicity 0.7399918E+01 Ellipticity 0.1219058E-02 Gb(Abramov) 0.4331721E+00 Vb(Abramov) -0.6383572E+00 Hb(Abramov) -0.2051851E+00 Ex_ueg -0.1151115E+00 Ec_ueg -0.1499780E-01 Delta_ex -0.1110482E+00 Delta_ec 0.1978779E-01 Delta_et -0.2736256E+00 Pxc 0.7675227E+01 Qxc -0.5611957E+01 3,-1 56 3 +1 -0.240972 -0.516983 -3.019025 Rho 0.3077475E-02 |GRAD(Rho)| 0.3030359E-17 GRAD(Rho)x 0.1188070E-17 GRAD(Rho)y 0.2769586E-17 GRAD(Rho)z 0.3177432E-18 Laplacian 0.1205048E-01 (-1/4)Del**2(Rho)) -0.3012621E-02 Diamond 0.1216540E-03 Metallicity 0.3723342E+00 Ellipticity -0.1454447E+01 Gb(Abramov) 0.2195364E-02 Vb(Abramov) -0.1378108E-02 Hb(Abramov) 0.8172567E-03 Ex_ueg -0.3306063E-03 Ec_ueg -0.6514070E-04 Delta_ex -0.5034397E-03 Delta_ec 0.3008265E-03 Delta_et -0.1443757E-02 Pxc 0.5075264E+01 Qxc -0.1673522E+01 3,+1 57 3 -1 -1.764716 -0.480537 -1.670199 Rho 0.4529485E-01 |GRAD(Rho)| 0.6097323E-13 GRAD(Rho)x -0.4474872E-13 GRAD(Rho)y 0.2866422E-13 GRAD(Rho)z -0.2989398E-13 Laplacian 0.1794772E+00 (-1/4)Del**2(Rho)) -0.4486930E-01 Diamond 0.7984976E-01 Metallicity 0.2209794E+01 Ellipticity 0.1635440E-01 Gb(Abramov) 0.4643818E-01 Vb(Abramov) -0.4800707E-01 Hb(Abramov) -0.1568889E-02 Ex_ueg -0.1192477E-01 Ec_ueg -0.2156490E-02 Delta_ex -0.1442648E-01 Delta_ec 0.5378476E-02 Delta_et -0.5526473E-01 Pxc 0.5529714E+01 Qxc -0.2682262E+01 3,-1 58 3 -1 -3.230390 0.122536 -3.173403 Rho 0.2484250E+00 |GRAD(Rho)| 0.7861947E-08 GRAD(Rho)x -0.5554724E-08 GRAD(Rho)y 0.1918372E-08 GRAD(Rho)z -0.5222557E-08 Laplacian 0.9088229E+00 (-1/4)Del**2(Rho)) -0.2272057E+00 Diamond 0.3335676E+01 Metallicity 0.7443765E+01 Ellipticity 0.3614873E-02 Gb(Abramov) 0.4333481E+00 Vb(Abramov) -0.6394906E+00 Hb(Abramov) -0.2061424E+00 Ex_ueg -0.1153397E+00 Ec_ueg -0.1502345E-01 Delta_ex -0.1107245E+00 Delta_ec 0.1973554E-01 Delta_et -0.2730251E+00 Pxc 0.7677309E+01 Qxc -0.5610414E+01 3,-1 59 3 -1 -2.802571 0.550070 -1.789776 Rho 0.1393051E+00 |GRAD(Rho)| 0.7020651E-13 GRAD(Rho)x -0.5227399E-13 GRAD(Rho)y -0.1019787E-13 GRAD(Rho)z 0.4574263E-13 Laplacian 0.5917565E+00 (-1/4)Del**2(Rho)) -0.1479391E+00 Diamond 0.1101629E+01 Metallicity 0.4359282E+01 Ellipticity 0.4871054E-02 Gb(Abramov) 0.2061108E+00 Vb(Abramov) -0.2642825E+00 Hb(Abramov) -0.5817169E-01 Ex_ueg -0.5333443E-01 Ec_ueg -0.7762440E-02 Delta_ex -0.6245785E-01 Delta_ec 0.1537582E-01 Delta_et -0.2026718E+00 Pxc 0.6870833E+01 Qxc -0.4062083E+01 3,-1 60 3 +1 -2.937539 0.092143 0.149766 Rho 0.5279067E-02 |GRAD(Rho)| 0.5068294E-17 GRAD(Rho)x 0.1205294E-17 GRAD(Rho)y 0.3389311E-17 GRAD(Rho)z -0.3570355E-17 Laplacian 0.2176517E-01 (-1/4)Del**2(Rho)) -0.5441292E-02 Diamond 0.5610068E-03 Metallicity 0.5067337E+00 Ellipticity -0.4282643E+01 Gb(Abramov) 0.4087076E-02 Vb(Abramov) -0.2732859E-02 Hb(Abramov) 0.1354216E-02 Ex_ueg -0.6788826E-03 Ec_ueg -0.1589419E-03 Delta_ex -0.1106536E-02 Delta_ec 0.7084855E-03 Delta_et -0.3901620E-02 Pxc 0.4271262E+01 Qxc -0.1561832E+01 3,+1 61 3 +3 2.337294 0.010850 0.016150 Rho 0.3835650E-02 |GRAD(Rho)| 0.2647387E-17 GRAD(Rho)x 0.2181692E-17 GRAD(Rho)y 0.1395090E-17 GRAD(Rho)z 0.5500950E-18 Laplacian 0.1568851E-01 (-1/4)Del**2(Rho)) -0.3922127E-02 Diamond 0.1123768E-03 Metallicity 0.4128223E+00 Ellipticity -0.2976209E+00 Gb(Abramov) 0.2884608E-02 Vb(Abramov) -0.1847089E-02 Hb(Abramov) 0.1037519E-02 Ex_ueg -0.4434422E-03 Ec_ueg -0.9715541E-04 Delta_ex -0.5516499E-03 Delta_ec 0.1543560E-03 Delta_et -0.9141484E-03 Pxc 0.4564256E+01 Qxc -0.3573881E+01 3,+3 62 3 -1 -3.181493 -0.034901 3.260210 Rho 0.2488145E+00 |GRAD(Rho)| 0.3247039E-15 GRAD(Rho)x -0.2118531E-15 GRAD(Rho)y -0.3144186E-16 GRAD(Rho)z 0.2440539E-15 Laplacian 0.9032598E+00 (-1/4)Del**2(Rho)) -0.2258150E+00 Diamond 0.3329148E+01 Metallicity 0.7509194E+01 Ellipticity 0.1075238E-02 Gb(Abramov) 0.4331580E+00 Vb(Abramov) -0.6405011E+00 Hb(Abramov) -0.2073431E+00 Ex_ueg -0.1155809E+00 Ec_ueg -0.1505056E-01 Delta_ex -0.1101307E+00 Delta_ec 0.1967454E-01 Delta_et -0.2725118E+00 Pxc 0.7679506E+01 Qxc -0.5597629E+01 3,-1 63 3 +3 -2.424614 0.044505 0.105091 Rho 0.4775354E-02 |GRAD(Rho)| 0.2176223E-14 GRAD(Rho)x 0.1761160E-14 GRAD(Rho)y -0.9000540E-15 GRAD(Rho)z -0.9078353E-15 Laplacian 0.2007726E-01 (-1/4)Del**2(Rho)) -0.5019315E-02 Diamond 0.2025184E-03 Metallicity 0.4647841E+00 Ellipticity -0.2480530E+00 Gb(Abramov) 0.3735026E-02 Vb(Abramov) -0.2450738E-02 Hb(Abramov) 0.1284289E-02 Ex_ueg -0.5939170E-03 Ec_ueg -0.1372582E-03 Delta_ex -0.7548347E-03 Delta_ec 0.2133537E-03 Delta_et -0.1312957E-02 Pxc 0.4327006E+01 Qxc -0.3537950E+01 3,+3 64 3 -1 -2.985123 0.848988 2.021960 Rho 0.1388841E+00 |GRAD(Rho)| 0.1677523E-15 GRAD(Rho)x 0.1073157E-15 GRAD(Rho)y -0.1233280E-15 GRAD(Rho)z -0.3760826E-16 Laplacian 0.5521363E+00 (-1/4)Del**2(Rho)) -0.1380341E+00 Diamond 0.1024450E+01 Metallicity 0.4648587E+01 Ellipticity 0.2974561E-01 Gb(Abramov) 0.1989666E+00 Vb(Abramov) -0.2598992E+00 Hb(Abramov) -0.6093254E-01 Ex_ueg -0.5311962E-01 Ec_ueg -0.7735777E-02 Delta_ex -0.5823663E-01 Delta_ec 0.1436299E-01 Delta_et -0.1892463E+00 Pxc 0.6866747E+01 Qxc -0.4054632E+01 3,-1 65 3 +1 -1.733880 0.570734 -0.465681 Rho 0.9809288E-02 |GRAD(Rho)| 0.1029236E-15 GRAD(Rho)x -0.6377428E-16 GRAD(Rho)y 0.7706544E-16 GRAD(Rho)z 0.2422854E-16 Laplacian 0.4154444E-01 (-1/4)Del**2(Rho)) -0.1038611E-01 Diamond 0.1373587E-02 Metallicity 0.7455831E+00 Ellipticity -0.1442732E+01 Gb(Abramov) 0.8214691E-02 Vb(Abramov) -0.6043273E-02 Hb(Abramov) 0.2171419E-02 Ex_ueg -0.1550845E-02 Ec_ueg -0.3594067E-03 Delta_ex -0.1978923E-02 Delta_ec 0.6137827E-03 Delta_et -0.4316207E-02 Pxc 0.4315014E+01 Qxc -0.3224142E+01 3,+1 66 3 -1 -2.031269 -2.988707 -0.783509 Rho 0.1362284E+00 |GRAD(Rho)| 0.6453600E-13 GRAD(Rho)x 0.4439614E-13 GRAD(Rho)y -0.4434575E-13 GRAD(Rho)z 0.1507758E-13 Laplacian 0.5019510E+00 (-1/4)Del**2(Rho)) -0.1254878E+00 Diamond 0.9285610E+00 Metallicity 0.4951435E+01 Ellipticity 0.1004697E+00 Gb(Abramov) 0.1872159E+00 Vb(Abramov) -0.2489441E+00 Hb(Abramov) -0.6172815E-01 Ex_ueg -0.5176964E-01 Ec_ueg -0.7567847E-02 Delta_ex -0.5290631E-01 Delta_ec 0.1349430E-01 Delta_et -0.1780169E+00 Pxc 0.6840735E+01 Qxc -0.3920642E+01 3,-1 67 3 +1 -1.765466 1.691143 -1.760463 Rho 0.1213084E-01 |GRAD(Rho)| 0.2099368E-14 GRAD(Rho)x 0.6258952E-16 GRAD(Rho)y -0.1426916E-14 GRAD(Rho)z -0.1538617E-14 Laplacian 0.6053063E-01 (-1/4)Del**2(Rho)) -0.1513266E-01 Diamond 0.2444094E-02 Metallicity 0.7291036E+00 Ellipticity -0.1249691E+01 Gb(Abramov) 0.1192732E-01 Vb(Abramov) -0.8721977E-02 Hb(Abramov) 0.3205340E-02 Ex_ueg -0.2058603E-02 Ec_ueg -0.4656122E-03 Delta_ex -0.2978826E-02 Delta_ec 0.7766748E-03 Delta_et -0.5846111E-02 Pxc 0.4421283E+01 Qxc -0.3835358E+01 3,+1 68 3 +1 -0.592535 1.645916 -0.520741 Rho 0.9305428E-02 |GRAD(Rho)| 0.1914875E-16 GRAD(Rho)x -0.1887144E-18 GRAD(Rho)y 0.1215118E-16 GRAD(Rho)z -0.1479824E-16 Laplacian 0.3890634E-01 (-1/4)Del**2(Rho)) -0.9726586E-02 Diamond 0.1198488E-02 Metallicity 0.7291552E+00 Ellipticity -0.1436748E+01 Gb(Abramov) 0.7666423E-02 Vb(Abramov) -0.5606259E-02 Hb(Abramov) 0.2060164E-02 Ex_ueg -0.1445551E-02 Ec_ueg -0.3366524E-03 Delta_ex -0.1829225E-02 Delta_ec 0.5758176E-03 Delta_et -0.3993628E-02 Pxc 0.4293899E+01 Qxc -0.3176744E+01 3,+1 69 3 +1 -1.037808 2.118754 1.362698 Rho 0.2517936E-01 |GRAD(Rho)| 0.2519288E-17 GRAD(Rho)x 0.1678244E-17 GRAD(Rho)y 0.1362956E-17 GRAD(Rho)z -0.1293313E-17 Laplacian 0.9954151E-01 (-1/4)Del**2(Rho)) -0.2488538E-01 Diamond 0.1279416E-01 Metallicity 0.1497442E+01 Ellipticity -0.3110238E+01 Gb(Abramov) 0.2280099E-01 Vb(Abramov) -0.2071659E-01 Hb(Abramov) 0.2084391E-02 Ex_ueg -0.5450603E-02 Ec_ueg -0.1097749E-02 Delta_ex -0.6164746E-02 Delta_ec 0.1621243E-02 Delta_et -0.1435145E-01 Pxc 0.4965256E+01 Qxc -0.3802480E+01 3,+1 70 3 +1 -2.003573 2.006518 2.020645 Rho 0.1247546E-01 |GRAD(Rho)| 0.2118665E-14 GRAD(Rho)x 0.1109206E-14 GRAD(Rho)y -0.1274690E-14 GRAD(Rho)z -0.1278111E-14 Laplacian 0.5854606E-01 (-1/4)Del**2(Rho)) -0.1463652E-01 Diamond 0.2015433E-02 Metallicity 0.7898477E+00 Ellipticity -0.1153057E+01 Gb(Abramov) 0.1168445E-01 Vb(Abramov) -0.8732378E-02 Hb(Abramov) 0.2952069E-02 Ex_ueg -0.2136948E-02 Ec_ueg -0.4815624E-03 Delta_ex -0.2781558E-02 Delta_ec 0.5350855E-03 Delta_et -0.4219618E-02 Pxc 0.4437532E+01 Qxc -0.5198342E+01 3,+1 71 3 -1 -1.822239 2.734559 -0.561328 Rho 0.1369759E+00 |GRAD(Rho)| 0.4127568E-15 GRAD(Rho)x 0.3663248E-15 GRAD(Rho)y -0.1895456E-15 GRAD(Rho)z -0.1570738E-16 Laplacian 0.5767799E+00 (-1/4)Del**2(Rho)) -0.1441950E+00 Diamond 0.1053673E+01 Metallicity 0.4348539E+01 Ellipticity 0.1040992E-01 Gb(Abramov) 0.2006362E+00 Vb(Abramov) -0.2570775E+00 Hb(Abramov) -0.5644126E-01 Ex_ueg -0.5214876E-01 Ec_ueg -0.7615071E-02 Delta_ex -0.6064475E-01 Delta_ec 0.1507720E-01 Delta_et -0.1982786E+00 Pxc 0.6848098E+01 Qxc -0.4022283E+01 3,-1 72 3 +3 -0.010946 2.335774 0.020567 Rho 0.4407950E-02 |GRAD(Rho)| 0.4683989E-17 GRAD(Rho)x -0.3582159E-17 GRAD(Rho)y -0.7944937E-18 GRAD(Rho)z -0.2911472E-17 Laplacian 0.1825298E-01 (-1/4)Del**2(Rho)) -0.4563245E-02 Diamond 0.1589930E-03 Metallicity 0.4473771E+00 Ellipticity -0.3074547E+00 Gb(Abramov) 0.3382412E-02 Vb(Abramov) -0.2201579E-02 Hb(Abramov) 0.1180833E-02 Ex_ueg -0.5337860E-03 Ec_ueg -0.1215241E-03 Delta_ex -0.6658422E-03 Delta_ec 0.1818295E-03 Delta_et -0.1111528E-02 Pxc 0.4392429E+01 Qxc -0.3661905E+01 3,+3 73 3 +1 -0.123698 2.914250 0.099688 Rho 0.5067738E-02 |GRAD(Rho)| 0.4137042E-17 GRAD(Rho)x 0.4795104E-18 GRAD(Rho)y 0.1145077E-17 GRAD(Rho)z 0.3946389E-17 Laplacian 0.2083725E-01 (-1/4)Del**2(Rho)) -0.5209312E-02 Diamond 0.5215334E-03 Metallicity 0.4944583E+00 Ellipticity -0.4665141E+01 Gb(Abramov) 0.3902173E-02 Vb(Abramov) -0.2595033E-02 Hb(Abramov) 0.1307139E-02 Ex_ueg -0.6428908E-03 Ec_ueg -0.1498290E-03 Delta_ex -0.1063088E-02 Delta_ec 0.6996869E-03 Delta_et -0.3797696E-02 Pxc 0.4290831E+01 Qxc -0.1519377E+01 3,+1 74 3 +1 -0.573433 -0.538969 1.701419 Rho 0.8802958E-02 |GRAD(Rho)| 0.2304745E-16 GRAD(Rho)x 0.9949395E-17 GRAD(Rho)y -0.6237722E-17 GRAD(Rho)z 0.1983142E-16 Laplacian 0.3669847E-01 (-1/4)Del**2(Rho)) -0.9174618E-02 Diamond 0.1047874E-02 Metallicity 0.7047140E+00 Ellipticity -0.1417686E+01 Gb(Abramov) 0.7193992E-02 Vb(Abramov) -0.5213366E-02 Hb(Abramov) 0.1980626E-02 Ex_ueg -0.1342425E-02 Ec_ueg -0.3140701E-03 Delta_ex -0.1701340E-02 Delta_ec 0.5429592E-03 Delta_et -0.3711995E-02 Pxc 0.4274283E+01 Qxc -0.3133459E+01 3,+1 75 3 +3 -1.151003 1.093012 -1.118005 Rho 0.5349207E-02 |GRAD(Rho)| 0.5171623E-17 GRAD(Rho)x -0.1850426E-17 GRAD(Rho)y 0.4757298E-17 GRAD(Rho)z 0.8305002E-18 Laplacian 0.2227695E-01 (-1/4)Del**2(Rho)) -0.5569238E-02 Diamond 0.1781034E-03 Metallicity 0.5061039E+00 Ellipticity -0.1892561E+00 Gb(Abramov) 0.4182594E-02 Vb(Abramov) -0.2795951E-02 Hb(Abramov) 0.1386644E-02 Ex_ueg -0.6909357E-03 Ec_ueg -0.1619714E-03 Delta_ex -0.7905719E-03 Delta_ec 0.1094226E-03 Delta_et -0.8438684E-03 Pxc 0.4265787E+01 Qxc -0.7224944E+01 3,+3 76 3 +1 -1.745345 -0.500003 0.608004 Rho 0.9233110E-02 |GRAD(Rho)| 0.2607003E-12 GRAD(Rho)x -0.5206624E-13 GRAD(Rho)y -0.2260810E-12 GRAD(Rho)z -0.1189165E-12 Laplacian 0.3866114E-01 (-1/4)Del**2(Rho)) -0.9665285E-02 Diamond 0.1183519E-02 Metallicity 0.7243001E+00 Ellipticity -0.1437203E+01 Gb(Abramov) 0.7610284E-02 Vb(Abramov) -0.5555284E-02 Hb(Abramov) 0.2055000E-02 Ex_ueg -0.1430592E-02 Ec_ueg -0.3333955E-03 Delta_ex -0.1816242E-02 Delta_ec 0.5759827E-03 Delta_et -0.3983839E-02 Pxc 0.4290976E+01 Qxc -0.3153293E+01 3,+1 77 3 +1 -0.061801 0.069567 2.929064 Rho 0.4990016E-02 |GRAD(Rho)| 0.3065757E-16 GRAD(Rho)x -0.2831864E-16 GRAD(Rho)y -0.1132141E-16 GRAD(Rho)z -0.3125169E-17 Laplacian 0.2039951E-01 (-1/4)Del**2(Rho)) -0.5099879E-02 Diamond 0.5233190E-03 Metallicity 0.4922245E+00 Ellipticity -0.1517154E+02 Gb(Abramov) 0.3818300E-02 Vb(Abramov) -0.2536721E-02 Hb(Abramov) 0.1281579E-02 Ex_ueg -0.6297783E-03 Ec_ueg -0.1464832E-03 Delta_ex -0.1059359E-02 Delta_ec 0.7236135E-03 Delta_et -0.3894614E-02 Pxc 0.4299321E+01 Qxc -0.1463985E+01 3,+1 78 3 +3 -1.857801 1.865408 1.885576 Rho 0.1228839E-01 |GRAD(Rho)| 0.1706321E-15 GRAD(Rho)x 0.9124291E-16 GRAD(Rho)y -0.1074009E-15 GRAD(Rho)z -0.9620346E-16 Laplacian 0.5614148E-01 (-1/4)Del**2(Rho)) -0.1403537E-01 Diamond 0.1294693E-02 Metallicity 0.8031946E+00 Ellipticity -0.7208271E+00 Gb(Abramov) 0.1123577E-01 Vb(Abramov) -0.8436167E-02 Hb(Abramov) 0.2799601E-02 Ex_ueg -0.2094329E-02 Ec_ueg -0.4728983E-03 Delta_ex -0.2488760E-02 Delta_ec 0.2141631E-03 Delta_et -0.2005559E-02 Pxc 0.4428709E+01 Qxc -0.1162086E+02 3,+3 79 3 +1 -0.599013 0.504708 -1.671957 Rho 0.9289091E-02 |GRAD(Rho)| 0.1360608E-13 GRAD(Rho)x -0.8528347E-14 GRAD(Rho)y -0.1032686E-13 GRAD(Rho)z 0.2397629E-14 Laplacian 0.3971787E-01 (-1/4)Del**2(Rho)) -0.9929466E-02 Diamond 0.1245772E-02 Metallicity 0.7121683E+00 Ellipticity -0.1434032E+01 Gb(Abramov) 0.7798220E-02 Vb(Abramov) -0.5666973E-02 Hb(Abramov) 0.2131247E-02 Ex_ueg -0.1442169E-02 Ec_ueg -0.3359164E-03 Delta_ex -0.1876801E-02 Delta_ec 0.6061305E-03 Delta_et -0.4188167E-02 Pxc 0.4293236E+01 Qxc -0.3096365E+01 3,+1 80 3 +1 0.514874 1.708342 0.524334 Rho 0.7864207E-02 |GRAD(Rho)| 0.9452716E-17 GRAD(Rho)x -0.6289707E-17 GRAD(Rho)y -0.1718682E-17 GRAD(Rho)z 0.6843944E-17 Laplacian 0.3232910E-01 (-1/4)Del**2(Rho)) -0.8082275E-02 Diamond 0.8246078E-03 Metallicity 0.6628945E+00 Ellipticity -0.1432764E+01 Gb(Abramov) 0.6281133E-02 Vb(Abramov) -0.4479990E-02 Hb(Abramov) 0.1801142E-02 Ex_ueg -0.1155026E-02 Ec_ueg -0.2721799E-03 Delta_ex -0.1473771E-02 Delta_ec 0.5080965E-03 Delta_et -0.3349314E-02 Pxc 0.4243611E+01 Qxc -0.2900574E+01 3,+1 81 3 +1 1.692601 -0.558766 -0.548257 Rho 0.7495149E-02 |GRAD(Rho)| 0.2674022E-13 GRAD(Rho)x 0.9678871E-14 GRAD(Rho)y -0.2418857E-13 GRAD(Rho)z 0.6022609E-14 Laplacian 0.3050367E-01 (-1/4)Del**2(Rho)) -0.7625918E-02 Diamond 0.7289321E-03 Metallicity 0.6484774E+00 Ellipticity -0.1424397E+01 Gb(Abramov) 0.5908151E-02 Vb(Abramov) -0.4190384E-02 Hb(Abramov) 0.1717767E-02 Ex_ueg -0.1083325E-02 Ec_ueg -0.2558205E-03 Delta_ex -0.1374291E-02 Delta_ec 0.4794796E-03 Delta_et -0.3120481E-02 Pxc 0.4234707E+01 Qxc -0.2866213E+01 3,+1 82 3 +1 0.521179 0.515927 1.697959 Rho 0.8229031E-02 |GRAD(Rho)| 0.1463213E-16 GRAD(Rho)x -0.1491717E-17 GRAD(Rho)y -0.7234977E-17 GRAD(Rho)z -0.1263049E-16 Laplacian 0.3436707E-01 (-1/4)Del**2(Rho)) -0.8591767E-02 Diamond 0.9269566E-03 Metallicity 0.6725406E+00 Ellipticity -0.1427357E+01 Gb(Abramov) 0.6690896E-02 Vb(Abramov) -0.4790026E-02 Hb(Abramov) 0.1900870E-02 Ex_ueg -0.1227015E-02 Ec_ueg -0.2884126E-03 Delta_ex -0.1581719E-02 Delta_ec 0.5355382E-03 Delta_et -0.3576303E-02 Pxc 0.4254375E+01 Qxc -0.2953513E+01 3,+1 83 3 -1 1.672385 1.677109 -0.483781 Rho 0.3113058E-01 |GRAD(Rho)| 0.8068603E-13 GRAD(Rho)x -0.6023794E-13 GRAD(Rho)y -0.2784914E-14 GRAD(Rho)z -0.5360849E-13 Laplacian 0.1252830E+00 (-1/4)Del**2(Rho)) -0.3132076E-01 Diamond 0.3379935E-01 Metallicity 0.1694466E+01 Ellipticity 0.1063638E-01 Gb(Abramov) 0.2972584E-01 Vb(Abramov) -0.2813091E-01 Hb(Abramov) 0.1594924E-02 Ex_ueg -0.7232716E-02 Ec_ueg -0.1402070E-02 Delta_ex -0.9208438E-02 Delta_ec 0.3809759E-02 Delta_et -0.3535049E-01 Pxc 0.5158597E+01 Qxc -0.2417065E+01 3,-1 84 3 +1 1.737048 1.807119 1.763564 Rho 0.1220954E-01 |GRAD(Rho)| 0.2406080E-16 GRAD(Rho)x 0.1668544E-16 GRAD(Rho)y 0.6211381E-17 GRAD(Rho)z -0.1618447E-16 Laplacian 0.6125222E-01 (-1/4)Del**2(Rho)) -0.1531306E-01 Diamond 0.2507971E-02 Metallicity 0.7283223E+00 Ellipticity -0.1254195E+01 Gb(Abramov) 0.1206751E-01 Vb(Abramov) -0.8821965E-02 Hb(Abramov) 0.3245545E-02 Ex_ueg -0.2076431E-02 Ec_ueg -0.4692508E-03 Delta_ex -0.3023084E-02 Delta_ec 0.7923360E-03 Delta_et -0.5968456E-02 Pxc 0.4424992E+01 Qxc -0.3815406E+01 3,+1 85 3 -1 -0.488063 1.700806 1.711894 Rho 0.3769101E-01 |GRAD(Rho)| 0.9200107E-16 GRAD(Rho)x -0.4039786E-16 GRAD(Rho)y -0.5896832E-16 GRAD(Rho)z -0.5792191E-16 Laplacian 0.1546478E+00 (-1/4)Del**2(Rho)) -0.3866194E-01 Diamond 0.5463852E-01 Metallicity 0.1887988E+01 Ellipticity 0.1445593E-01 Gb(Abramov) 0.3794017E-01 Vb(Abramov) -0.3721841E-01 Hb(Abramov) 0.7217675E-03 Ex_ueg -0.9333306E-02 Ec_ueg -0.1746730E-02 Delta_ex -0.1194256E-01 Delta_ec 0.4757389E-02 Delta_et -0.4653631E-01 Pxc 0.5343303E+01 Qxc -0.2510318E+01 3,-1 86 3 +1 2.958848 0.064356 -0.008810 Rho 0.4530206E-02 |GRAD(Rho)| 0.6986794E-16 GRAD(Rho)x 0.2148592E-17 GRAD(Rho)y 0.5813023E-16 GRAD(Rho)z -0.3870127E-16 Laplacian 0.1854044E-01 (-1/4)Del**2(Rho)) -0.4635110E-02 Diamond 0.4229324E-03 Metallicity 0.4609880E+00 Ellipticity -0.6057019E+01 Gb(Abramov) 0.3446195E-02 Vb(Abramov) -0.2257280E-02 Hb(Abramov) 0.1188915E-02 Ex_ueg -0.5536164E-03 Ec_ueg -0.1267520E-03 Delta_ex -0.9514375E-03 Delta_ec 0.6675199E-03 Delta_et -0.3485076E-02 Pxc 0.4367714E+01 Qxc -0.1425332E+01 3,+1 87 3 -1 0.461150 1.635005 -1.671681 Rho 0.4823236E-01 |GRAD(Rho)| 0.4603219E-12 GRAD(Rho)x 0.1306743E-12 GRAD(Rho)y -0.3136913E-12 GRAD(Rho)z 0.3105128E-12 Laplacian 0.1922783E+00 (-1/4)Del**2(Rho)) -0.4806956E-01 Diamond 0.9256932E-01 Metallicity 0.2290413E+01 Ellipticity 0.1112234E-01 Gb(Abramov) 0.5039624E-01 Vb(Abramov) -0.5272291E-01 Hb(Abramov) -0.2326673E-02 Ex_ueg -0.1296691E-01 Ec_ueg -0.2317401E-02 Delta_ex -0.1567312E-01 Delta_ec 0.5710703E-02 Delta_et -0.5964829E-01 Pxc 0.5595453E+01 Qxc -0.2744517E+01 3,-1 88 3 -1 0.857517 1.916260 -2.952985 Rho 0.1398801E+00 |GRAD(Rho)| 0.1082889E-14 GRAD(Rho)x -0.7858162E-15 GRAD(Rho)y 0.6249477E-15 GRAD(Rho)z 0.4056881E-15 Laplacian 0.5568712E+00 (-1/4)Del**2(Rho)) -0.1392178E+00 Diamond 0.1043825E+01 Metallicity 0.4664282E+01 Ellipticity 0.3225194E-01 Gb(Abramov) 0.2010371E+00 Vb(Abramov) -0.2628563E+00 Hb(Abramov) -0.6181926E-01 Ex_ueg -0.5362816E-01 Ec_ueg -0.7798874E-02 Delta_ex -0.5885656E-01 Delta_ec 0.1449391E-01 Delta_et -0.1912478E+00 Pxc 0.6876397E+01 Qxc -0.4060780E+01 3,-1 89 3 +1 2.026114 1.975504 -2.000491 Rho 0.1219064E-01 |GRAD(Rho)| 0.3305429E-16 GRAD(Rho)x -0.2539196E-16 GRAD(Rho)y 0.7415721E-17 GRAD(Rho)z -0.1982022E-16 Laplacian 0.5756235E-01 (-1/4)Del**2(Rho)) -0.1439059E-01 Diamond 0.2029280E-02 Metallicity 0.7730106E+00 Ellipticity -0.1187415E+01 Gb(Abramov) 0.1144774E-01 Vb(Abramov) -0.8504888E-02 Hb(Abramov) 0.2942849E-02 Ex_ueg -0.2072146E-02 Ec_ueg -0.4683767E-03 Delta_ex -0.2748522E-02 Delta_ec 0.5816213E-03 Delta_et -0.4504156E-02 Pxc 0.4424101E+01 Qxc -0.4725621E+01 3,+1 90 3 -1 0.845797 2.930620 -1.963360 Rho 0.1527365E+00 |GRAD(Rho)| 0.1211183E-15 GRAD(Rho)x -0.1164975E-15 GRAD(Rho)y -0.2974780E-16 GRAD(Rho)z 0.1459607E-16 Laplacian 0.6083190E+00 (-1/4)Del**2(Rho)) -0.1520798E+00 Diamond 0.1264507E+01 Metallicity 0.4943709E+01 Ellipticity 0.4663861E-01 Gb(Abramov) 0.2266929E+00 Vb(Abramov) -0.3013060E+00 Hb(Abramov) -0.7461311E-01 Ex_ueg -0.6029880E-01 Ec_ueg -0.8618916E-02 Delta_ex -0.6566463E-01 Delta_ec 0.1544651E-01 Delta_et -0.2063282E+00 Pxc 0.6996100E+01 Qxc -0.4251099E+01 3,-1 91 3 +3 1.090816 1.108770 1.084185 Rho 0.4507124E-02 |GRAD(Rho)| 0.4931759E-16 GRAD(Rho)x 0.3314142E-16 GRAD(Rho)y -0.2350063E-16 GRAD(Rho)z 0.2795696E-16 Laplacian 0.1838168E-01 (-1/4)Del**2(Rho)) -0.4595419E-02 Diamond 0.1235810E-03 Metallicity 0.4610278E+00 Ellipticity -0.1063869E+00 Gb(Abramov) 0.3416715E-02 Vb(Abramov) -0.2238012E-02 Hb(Abramov) 0.1178704E-02 Ex_ueg -0.5498586E-03 Ec_ueg -0.1257644E-03 Delta_ex -0.6301205E-03 Delta_ec 0.1042197E-03 Delta_et -0.7424373E-03 Pxc 0.4372133E+01 Qxc -0.6046076E+01 3,+3 92 3 -1 0.572813 2.807226 1.808146 Rho 0.1395652E+00 |GRAD(Rho)| 0.7896521E-16 GRAD(Rho)x 0.5429142E-16 GRAD(Rho)y 0.2372031E-16 GRAD(Rho)z -0.5220433E-16 Laplacian 0.5802232E+00 (-1/4)Del**2(Rho)) -0.1450558E+00 Diamond 0.1067395E+01 Metallicity 0.4459781E+01 Ellipticity 0.1538021E-01 Gb(Abramov) 0.2045234E+00 Vb(Abramov) -0.2639910E+00 Hb(Abramov) -0.5946758E-01 Ex_ueg -0.5346728E-01 Ec_ueg -0.7778922E-02 Delta_ex -0.6110178E-01 Delta_ec 0.1477195E-01 Delta_et -0.1941542E+00 Pxc 0.6873353E+01 Qxc -0.4136338E+01 3,-1 93 3 -1 1.960584 -0.646260 -2.834221 Rho 0.1479784E+00 |GRAD(Rho)| 0.1837779E-15 GRAD(Rho)x -0.7832005E-16 GRAD(Rho)y -0.1440634E-15 GRAD(Rho)z 0.8298212E-16 Laplacian 0.5578791E+00 (-1/4)Del**2(Rho)) -0.1394698E+00 Diamond 0.1124245E+01 Metallicity 0.5113720E+01 Ellipticity 0.1156817E+00 Gb(Abramov) 0.2118481E+00 Vb(Abramov) -0.2842264E+00 Hb(Abramov) -0.7237830E-01 Ex_ueg -0.5780732E-01 Ec_ueg -0.8314228E-02 Delta_ex -0.5983314E-01 Delta_ec 0.1441932E-01 Delta_et -0.1920752E+00 Pxc 0.6952818E+01 Qxc -0.4149513E+01 3,-1 94 3 +1 1.907025 -1.793059 -1.751162 Rho 0.1406922E-01 |GRAD(Rho)| 0.2812723E-16 GRAD(Rho)x -0.1870249E-16 GRAD(Rho)y -0.1025926E-16 GRAD(Rho)z -0.1833318E-16 Laplacian 0.6710910E-01 (-1/4)Del**2(Rho)) -0.1677728E-01 Diamond 0.3403323E-02 Metallicity 0.8419413E+00 Ellipticity -0.1387956E+01 Gb(Abramov) 0.1353910E-01 Vb(Abramov) -0.1030092E-01 Hb(Abramov) 0.3238178E-02 Ex_ueg -0.2508487E-02 Ec_ueg -0.5559146E-03 Delta_ex -0.3454467E-02 Delta_ec 0.8951916E-03 Delta_et -0.6959776E-02 Pxc 0.4512359E+01 Qxc -0.3858914E+01 3,+1 95 3 +3 0.953133 -1.138672 -1.236339 Rho 0.3932839E-02 |GRAD(Rho)| 0.2521468E-15 GRAD(Rho)x -0.2471236E-15 GRAD(Rho)y 0.4876199E-16 GRAD(Rho)z -0.1141123E-16 Laplacian 0.1600887E-01 (-1/4)Del**2(Rho)) -0.4002218E-02 Diamond 0.1194001E-03 Metallicity 0.4217897E+00 Ellipticity -0.5405507E+00 Gb(Abramov) 0.2949494E-02 Vb(Abramov) -0.1896771E-02 Hb(Abramov) 0.1052724E-02 Ex_ueg -0.4584865E-03 Ec_ueg -0.1012816E-03 Delta_ex -0.5674315E-03 Delta_ec 0.1592842E-03 Delta_et -0.9468657E-03 Pxc 0.4526850E+01 Qxc -0.3562384E+01 3,+3 96 3 +1 2.073467 -1.405139 0.963066 Rho 0.2190642E-01 |GRAD(Rho)| 0.2818287E-16 GRAD(Rho)x 0.2292744E-16 GRAD(Rho)y -0.1571250E-16 GRAD(Rho)z -0.4660855E-17 Laplacian 0.8356332E-01 (-1/4)Del**2(Rho)) -0.2089083E-01 Diamond 0.8307800E-02 Metallicity 0.1414327E+01 Ellipticity -0.2410691E+01 Gb(Abramov) 0.1885163E-01 Vb(Abramov) -0.1681243E-01 Hb(Abramov) 0.2039200E-02 Ex_ueg -0.4527032E-02 Ec_ueg -0.9342552E-03 Delta_ex -0.4913515E-02 Delta_ec 0.1231825E-02 Delta_et -0.1058378E-01 Pxc 0.4845605E+01 Qxc -0.3988808E+01 3,+1 97 3 -1 1.952009 -0.856389 2.990788 Rho 0.1497731E+00 |GRAD(Rho)| 0.1181875E-13 GRAD(Rho)x 0.7622050E-14 GRAD(Rho)y 0.7823657E-14 GRAD(Rho)z -0.4514144E-14 Laplacian 0.5942799E+00 (-1/4)Del**2(Rho)) -0.1485700E+00 Diamond 0.1208625E+01 Metallicity 0.4897921E+01 Ellipticity 0.3358560E-01 Gb(Abramov) 0.2203273E+00 Vb(Abramov) -0.2920847E+00 Hb(Abramov) -0.7175736E-01 Ex_ueg -0.5874400E-01 Ec_ueg -0.8428991E-02 Delta_ex -0.6386124E-01 Delta_ec 0.1519983E-01 Delta_et -0.2025638E+00 Pxc 0.6969280E+01 Qxc -0.4201445E+01 3,-1 98 3 -1 1.661456 -0.529921 1.682621 Rho 0.3650665E-01 |GRAD(Rho)| 0.1355930E-15 GRAD(Rho)x 0.1070258E-15 GRAD(Rho)y 0.3768391E-16 GRAD(Rho)z 0.7423524E-16 Laplacian 0.1416270E+00 (-1/4)Del**2(Rho)) -0.3540676E-01 Diamond 0.4569625E-01 Metallicity 0.1954731E+01 Ellipticity 0.2413954E-01 Gb(Abramov) 0.3513962E-01 Vb(Abramov) -0.3487248E-01 Hb(Abramov) 0.2671375E-03 Ex_ueg -0.8944329E-02 Ec_ueg -0.1683859E-02 Delta_ex -0.1070661E-01 Delta_ec 0.4098160E-02 Delta_et -0.3972452E-01 Pxc 0.5311803E+01 Qxc -0.2612542E+01 3,-1 99 3 +1 0.440823 -0.822396 -1.775731 Rho 0.4997249E-02 |GRAD(Rho)| 0.1524831E-16 GRAD(Rho)x -0.9710386E-17 GRAD(Rho)y 0.8673617E-18 GRAD(Rho)z 0.1172463E-16 Laplacian 0.2056290E-01 (-1/4)Del**2(Rho)) -0.5140725E-02 Diamond 0.4172694E-03 Metallicity 0.4894937E+00 Ellipticity -0.1833724E+01 Gb(Abramov) 0.3846542E-02 Vb(Abramov) -0.2552359E-02 Hb(Abramov) 0.1294183E-02 Ex_ueg -0.6309956E-03 Ec_ueg -0.1467944E-03 Delta_ex -0.9647340E-03 Delta_ec 0.5448056E-03 Delta_et -0.2999789E-02 Pxc 0.4298499E+01 Qxc -0.1770786E+01 3,+1 100 3 +1 1.202445 -1.122585 2.111951 Rho 0.2456953E-01 |GRAD(Rho)| 0.4505265E-16 GRAD(Rho)x 0.8689433E-17 GRAD(Rho)y 0.2145554E-16 GRAD(Rho)z -0.3865093E-16 Laplacian 0.9616381E-01 (-1/4)Del**2(Rho)) -0.2404095E-01 Diamond 0.1273117E-01 Metallicity 0.1487977E+01 Ellipticity -0.4462297E+01 Gb(Abramov) 0.2198936E-01 Vb(Abramov) -0.1993778E-01 Hb(Abramov) 0.2051588E-02 Ex_ueg -0.5275303E-02 Ec_ueg -0.1067065E-02 Delta_ex -0.6003348E-02 Delta_ec 0.1721358E-02 Delta_et -0.1510839E-01 Pxc 0.4943751E+01 Qxc -0.3487565E+01 3,+1 101 3 +3 0.002398 -0.000134 2.366038 Rho 0.4376478E-02 |GRAD(Rho)| 0.5451680E-14 GRAD(Rho)x 0.2338735E-14 GRAD(Rho)y -0.2869931E-14 GRAD(Rho)z -0.4001828E-14 Laplacian 0.1814642E-01 (-1/4)Del**2(Rho)) -0.4536605E-02 Diamond 0.1576673E-03 Metallicity 0.4446620E+00 Ellipticity -0.2684437E+00 Gb(Abramov) 0.3360613E-02 Vb(Abramov) -0.2184621E-02 Hb(Abramov) 0.1175992E-02 Ex_ueg -0.5287106E-03 Ec_ueg -0.1201796E-03 Delta_ex -0.6620160E-03 Delta_ec 0.1830061E-03 Delta_et -0.1113852E-02 Pxc 0.4399339E+01 Qxc -0.3617454E+01 3,+3 102 3 -1 3.008560 0.826194 -1.970560 Rho 0.1211473E+00 |GRAD(Rho)| 0.1473251E-15 GRAD(Rho)x -0.1070717E-15 GRAD(Rho)y 0.1973248E-16 GRAD(Rho)z -0.9925193E-16 Laplacian 0.4915550E+00 (-1/4)Del**2(Rho)) -0.1228887E+00 Diamond 0.7662095E+00 Metallicity 0.4158126E+01 Ellipticity 0.2235193E-01 Gb(Abramov) 0.1670903E+00 Vb(Abramov) -0.2112918E+00 Hb(Abramov) -0.4420155E-01 Ex_ueg -0.4427279E-01 Ec_ueg -0.6623013E-02 Delta_ex -0.5006696E-01 Delta_ec 0.1302683E-01 Delta_et -0.1675380E+00 Pxc 0.6684691E+01 Qxc -0.3843373E+01 3,-1 103 3 -1 2.984017 1.986811 -0.802579 Rho 0.1451715E+00 |GRAD(Rho)| 0.1597623E-15 GRAD(Rho)x -0.2513994E-16 GRAD(Rho)y 0.2805373E-16 GRAD(Rho)z -0.1552578E-15 Laplacian 0.5755296E+00 (-1/4)Del**2(Rho)) -0.1438824E+00 Diamond 0.1113574E+01 Metallicity 0.4801180E+01 Ellipticity 0.4657524E-01 Gb(Abramov) 0.2110558E+00 Vb(Abramov) -0.2782292E+00 Hb(Abramov) -0.6717342E-01 Ex_ueg -0.5634998E-01 Ec_ueg -0.8135143E-02 Delta_ex -0.6123136E-01 Delta_ec 0.1457639E-01 Delta_et -0.1928234E+00 Pxc 0.6926734E+01 Qxc -0.4200723E+01 3,-1 104 3 +1 1.661734 0.548880 0.553295 Rho 0.7456973E-02 |GRAD(Rho)| 0.5907374E-17 GRAD(Rho)x 0.4618879E-17 GRAD(Rho)y 0.2040185E-17 GRAD(Rho)z -0.3066051E-17 Laplacian 0.3040740E-01 (-1/4)Del**2(Rho)) -0.7601849E-02 Diamond 0.7280234E-03 Metallicity 0.6450176E+00 Ellipticity -0.1430343E+01 Gb(Abramov) 0.5885121E-02 Vb(Abramov) -0.4168392E-02 Hb(Abramov) 0.1716729E-02 Ex_ueg -0.1075974E-02 Ec_ueg -0.2541319E-03 Delta_ex -0.1371738E-02 Delta_ec 0.4842073E-03 Delta_et -0.3142247E-02 Pxc 0.4233920E+01 Qxc -0.2832956E+01 3,+1 105 3 -1 1.985856 2.952875 -0.824240 Rho 0.1235819E+00 |GRAD(Rho)| 0.2047998E-15 GRAD(Rho)x -0.1430740E-15 GRAD(Rho)y 0.5586013E-16 GRAD(Rho)z -0.1354711E-15 Laplacian 0.4880368E+00 (-1/4)Del**2(Rho)) -0.1220092E+00 Diamond 0.7797741E+00 Metallicity 0.4329308E+01 Ellipticity 0.2913203E-01 Gb(Abramov) 0.1693754E+00 Vb(Abramov) -0.2167415E+00 Hb(Abramov) -0.4736618E-01 Ex_ueg -0.4546300E-01 Ec_ueg -0.6774501E-02 Delta_ex -0.4995426E-01 Delta_ec 0.1288767E-01 Delta_et -0.1663345E+00 Pxc 0.6710900E+01 Qxc -0.3876128E+01 3,-1 106 3 +1 -2.144467 1.144301 1.260521 Rho 0.2609406E-01 |GRAD(Rho)| 0.7900550E-15 GRAD(Rho)x 0.1852635E-15 GRAD(Rho)y 0.6239597E-15 GRAD(Rho)z -0.4478154E-15 Laplacian 0.1030421E+00 (-1/4)Del**2(Rho)) -0.2576054E-01 Diamond 0.1484753E-01 Metallicity 0.1535210E+01 Ellipticity -0.4882893E+01 Gb(Abramov) 0.2376499E-01 Vb(Abramov) -0.2176945E-01 Hb(Abramov) 0.1995541E-02 Ex_ueg -0.5716198E-02 Ec_ueg -0.1143955E-02 Delta_ex -0.6539133E-02 Delta_ec 0.1849656E-02 Delta_et -0.1647829E-01 Pxc 0.4996875E+01 Qxc -0.3535325E+01 3,+1 107 3 -1 -1.786944 -1.644251 -0.462862 Rho 0.4762596E-01 |GRAD(Rho)| 0.1051200E-13 GRAD(Rho)x 0.5852580E-14 GRAD(Rho)y -0.5176472E-14 GRAD(Rho)z -0.7032317E-14 Laplacian 0.1900687E+00 (-1/4)Del**2(Rho)) -0.4751718E-01 Diamond 0.8981754E-01 Metallicity 0.2268691E+01 Ellipticity 0.9885968E-02 Gb(Abramov) 0.4964509E-01 Vb(Abramov) -0.5177301E-01 Hb(Abramov) -0.2127910E-02 Ex_ueg -0.1275000E-01 Ec_ueg -0.2284072E-02 Delta_ex -0.1543799E-01 Delta_ec 0.5635138E-02 Delta_et -0.5866123E-01 Pxc 0.5582134E+01 Qxc -0.2739595E+01 3,-1 108 3 -1 -3.061046 -1.947607 -0.821206 Rho 0.1587047E+00 |GRAD(Rho)| 0.7063034E-14 GRAD(Rho)x 0.1957527E-14 GRAD(Rho)y -0.2317550E-14 GRAD(Rho)z -0.6378361E-14 Laplacian 0.6347985E+00 (-1/4)Del**2(Rho)) -0.1586996E+00 Diamond 0.1377572E+01 Metallicity 0.5050025E+01 Ellipticity 0.6374101E-01 Gb(Abramov) 0.2393726E+00 Vb(Abramov) -0.3200456E+00 Hb(Abramov) -0.8067297E-01 Ex_ueg -0.6346068E-01 Ec_ueg -0.9003048E-02 Delta_ex -0.6913587E-01 Delta_ec 0.1589644E-01 Delta_et -0.2132612E+00 Pxc 0.7048800E+01 Qxc -0.4349141E+01 3,-1 109 3 -1 -1.815518 0.529225 -2.788464 Rho 0.1543106E+00 |GRAD(Rho)| 0.4166308E-15 GRAD(Rho)x 0.4137587E-15 GRAD(Rho)y -0.4271757E-16 GRAD(Rho)z -0.2366949E-16 Laplacian 0.6478660E+00 (-1/4)Del**2(Rho)) -0.1619665E+00 Diamond 0.1361679E+01 Metallicity 0.4721945E+01 Ellipticity 0.1218563E-01 Gb(Abramov) 0.2354438E+00 Vb(Abramov) -0.3089211E+00 Hb(Abramov) -0.7347731E-01 Ex_ueg -0.6112883E-01 Ec_ueg -0.8720023E-02 Delta_ex -0.7009383E-01 Delta_ec 0.1637918E-01 Delta_et -0.2190222E+00 Pxc 0.7010168E+01 Qxc -0.4279447E+01 3,-1 110 3 +3 -1.696862 -1.860456 -1.838086 Rho 0.1052923E-01 |GRAD(Rho)| 0.2652857E-16 GRAD(Rho)x -0.1695374E-16 GRAD(Rho)y 0.1451805E-16 GRAD(Rho)z 0.1433744E-16 Laplacian 0.4771727E-01 (-1/4)Del**2(Rho)) -0.1192932E-01 Diamond 0.1084943E-02 Metallicity 0.7304635E+00 Ellipticity -0.8793581E+00 Gb(Abramov) 0.9405200E-02 Vb(Abramov) -0.6881083E-02 Hb(Abramov) 0.2524117E-02 Ex_ueg -0.1704435E-02 Ec_ueg -0.3921060E-03 Delta_ex -0.2089748E-02 Delta_ec 0.3039682E-03 Delta_et -0.2465111E-02 Pxc 0.4346874E+01 Qxc -0.6874890E+01 3,+3 111 3 -1 -1.697168 0.502943 1.731211 Rho 0.4192410E-01 |GRAD(Rho)| 0.3349047E-16 GRAD(Rho)x -0.2320362E-16 GRAD(Rho)y -0.5348695E-17 GRAD(Rho)z -0.2354985E-16 Laplacian 0.1643206E+00 (-1/4)Del**2(Rho)) -0.4108015E-01 Diamond 0.6444632E-01 Metallicity 0.2121749E+01 Ellipticity 0.1277058E-01 Gb(Abramov) 0.4191373E-01 Vb(Abramov) -0.4274731E-01 Hb(Abramov) -0.8335799E-03 Ex_ueg -0.1075648E-01 Ec_ueg -0.1973589E-02 Delta_ex -0.1288189E-01 Delta_ec 0.4794085E-02 Delta_et -0.4823444E-01 Pxc 0.5450212E+01 Qxc -0.2687039E+01 3,-1 112 3 -1 -1.981891 0.873074 3.018291 Rho 0.1515163E+00 |GRAD(Rho)| 0.2217164E-15 GRAD(Rho)x 0.1519780E-15 GRAD(Rho)y 0.1245748E-15 GRAD(Rho)z 0.1026739E-15 Laplacian 0.6020712E+00 (-1/4)Del**2(Rho)) -0.1505178E+00 Diamond 0.1239042E+01 Metallicity 0.4928685E+01 Ellipticity 0.4276991E-01 Gb(Abramov) 0.2239877E+00 Vb(Abramov) -0.2974576E+00 Hb(Abramov) -0.7346987E-01 Ex_ueg -0.5965740E-01 Ec_ueg -0.8540652E-02 Delta_ex -0.6485739E-01 Delta_ec 0.1530998E-01 Delta_et -0.2042587E+00 Pxc 0.6985111E+01 Qxc -0.4236281E+01 3,-1 113 3 -1 -0.214561 -1.417703 -3.255806 Rho 0.5115625E-02 |GRAD(Rho)| 0.2309218E-15 GRAD(Rho)x -0.6987683E-16 GRAD(Rho)y 0.3644275E-16 GRAD(Rho)z 0.2170577E-15 Laplacian 0.1980575E-01 (-1/4)Del**2(Rho)) -0.4951438E-02 Diamond 0.7088013E-03 Metallicity 0.5284286E+00 Ellipticity 0.9924831E-01 Gb(Abramov) 0.3737039E-02 Vb(Abramov) -0.2522640E-02 Hb(Abramov) 0.1214399E-02 Ex_ueg -0.6510035E-03 Ec_ueg -0.1518920E-03 Delta_ex -0.1198504E-02 Delta_ec 0.9975722E-03 Delta_et -0.5304190E-02 Pxc 0.4285963E+01 Qxc -0.1201421E+01 3,-1 114 3 +1 -1.061056 1.340961 2.143943 Rho 0.2465649E-01 |GRAD(Rho)| 0.1980248E-13 GRAD(Rho)x 0.7728935E-14 GRAD(Rho)y 0.1416452E-13 GRAD(Rho)z 0.1147903E-13 Laplacian 0.9749745E-01 (-1/4)Del**2(Rho)) -0.2437436E-01 Diamond 0.1255562E-01 Metallicity 0.1476291E+01 Ellipticity -0.3488318E+01 Gb(Abramov) 0.2224685E-01 Vb(Abramov) -0.2011934E-01 Hb(Abramov) 0.2127511E-02 Ex_ueg -0.5300214E-02 Ec_ueg -0.1071435E-02 Delta_ex -0.6046389E-02 Delta_ec 0.1663265E-02 Delta_et -0.1463017E-01 Pxc 0.4946839E+01 Qxc -0.3635252E+01 3,+1 115 3 +1 -1.777790 -1.742571 1.788293 Rho 0.1238233E-01 |GRAD(Rho)| 0.1725342E-16 GRAD(Rho)x 0.1225562E-17 GRAD(Rho)y 0.4757856E-17 GRAD(Rho)z 0.1653909E-16 Laplacian 0.6238097E-01 (-1/4)Del**2(Rho)) -0.1559524E-01 Diamond 0.2590120E-02 Metallicity 0.7320904E+00 Ellipticity -0.1244967E+01 Gb(Abramov) 0.1229968E-01 Vb(Abramov) -0.9004124E-02 Hb(Abramov) 0.3295560E-02 Ex_ueg -0.2115703E-02 Ec_ueg -0.4772471E-03 Delta_ex -0.3086432E-02 Delta_ec 0.8001137E-03 Delta_et -0.6052893E-02 Pxc 0.4433139E+01 Qxc -0.3857492E+01 3,+1 116 3 -1 0.033320 -3.244729 -1.259260 Rho 0.3286279E-01 |GRAD(Rho)| 0.9932239E-16 GRAD(Rho)x 0.8912108E-16 GRAD(Rho)y 0.4317839E-16 GRAD(Rho)z 0.7615462E-17 Laplacian 0.1034579E+00 (-1/4)Del**2(Rho)) -0.2586448E-01 Diamond 0.4664837E-01 Metallicity 0.2245725E+01 Ellipticity 0.5190795E-02 Gb(Abramov) 0.2692374E-01 Vb(Abramov) -0.2798300E-01 Hb(Abramov) -0.1059260E-02 Ex_ueg -0.7774233E-02 Ec_ueg -0.1492197E-02 Delta_ex -0.8957138E-02 Delta_ec 0.5381245E-02 Delta_et -0.5067962E-01 Pxc 0.5209926E+01 Qxc -0.1664510E+01 3,-1 117 3 +1 -0.615620 -1.668560 0.540328 Rho 0.9237528E-02 |GRAD(Rho)| 0.7915491E-15 GRAD(Rho)x 0.6406961E-15 GRAD(Rho)y 0.4623656E-15 GRAD(Rho)z 0.4771350E-16 Laplacian 0.3878913E-01 (-1/4)Del**2(Rho)) -0.9697283E-02 Diamond 0.1194865E-02 Metallicity 0.7224859E+00 Ellipticity -0.1440551E+01 Gb(Abramov) 0.7632547E-02 Vb(Abramov) -0.5567811E-02 Hb(Abramov) 0.2064736E-02 Ex_ueg -0.1431505E-02 Ec_ueg -0.3335943E-03 Delta_ex -0.1825200E-02 Delta_ec 0.5827547E-03 Delta_et -0.4027532E-02 Pxc 0.4291154E+01 Qxc -0.3132020E+01 3,+1 118 3 -1 -0.793908 -3.379844 -1.315755 Rho 0.3194420E+00 |GRAD(Rho)| 0.7930969E-14 GRAD(Rho)x -0.2569234E-14 GRAD(Rho)y 0.2460897E-14 GRAD(Rho)z 0.7088250E-14 Laplacian -0.1656413E+01 (-1/4)Del**2(Rho)) 0.4141034E+00 Diamond 0.5713540E+01 Metallicity -0.6210090E+01 Ellipticity 0.3940253E-02 Gb(Abramov) 0.1525343E+00 Vb(Abramov) -0.7191719E+00 Hb(Abramov) -0.5666376E+00 Ex_ueg -0.1612778E+00 Ec_ueg -0.2010398E-01 Delta_ex 0.1650673E+00 Delta_ec 0.5738028E-01 Delta_et -0.1362597E+01 Pxc 0.8022183E+01 Qxc 0.2876726E+01 3,-1 119 3 +1 0.080702 -2.948143 0.066477 Rho 0.4651618E-02 |GRAD(Rho)| 0.5056404E-16 GRAD(Rho)x 0.4267924E-16 GRAD(Rho)y -0.1352521E-16 GRAD(Rho)z 0.2350051E-16 Laplacian 0.1888096E-01 (-1/4)Del**2(Rho)) -0.4720240E-02 Diamond 0.3909353E-03 Metallicity 0.4730741E+00 Ellipticity -0.2419585E+01 Gb(Abramov) 0.3518998E-02 Vb(Abramov) -0.2317755E-02 Hb(Abramov) 0.1201243E-02 Ex_ueg -0.5734873E-03 Ec_ueg -0.1319515E-03 Delta_ex -0.9169898E-03 Delta_ec 0.5787740E-03 Delta_et -0.3082162E-02 Pxc 0.4346199E+01 Qxc -0.1584366E+01 3,+1 120 3 -1 0.259899 -1.172596 -1.858918 Rho 0.5223683E-02 |GRAD(Rho)| 0.3932621E-17 GRAD(Rho)x 0.3238048E-17 GRAD(Rho)y -0.2075919E-17 GRAD(Rho)z 0.8192132E-18 Laplacian 0.2104856E-01 (-1/4)Del**2(Rho)) -0.5262139E-02 Diamond 0.6344106E-03 Metallicity 0.5148558E+00 Ellipticity 0.7964618E+00 Gb(Abramov) 0.3959633E-02 Vb(Abramov) -0.2657127E-02 Hb(Abramov) 0.1302506E-02 Ex_ueg -0.6694028E-03 Ec_ueg -0.1565515E-03 Delta_ex -0.1155104E-02 Delta_ec 0.8407866E-03 Delta_et -0.4554965E-02 Pxc 0.4275928E+01 Qxc -0.1373837E+01 3,-1 121 3 +3 -0.062759 -2.362164 -0.120593 Rho 0.3947698E-02 |GRAD(Rho)| 0.3193972E-17 GRAD(Rho)x -0.2474183E-17 GRAD(Rho)y 0.1615715E-18 GRAD(Rho)z -0.2013397E-17 Laplacian 0.1625109E-01 (-1/4)Del**2(Rho)) -0.4062772E-02 Diamond 0.1157113E-03 Metallicity 0.4181228E+00 Ellipticity -0.2915138E+00 Gb(Abramov) 0.2991638E-02 Vb(Abramov) -0.1920503E-02 Hb(Abramov) 0.1071134E-02 Ex_ueg -0.4607976E-03 Ec_ueg -0.1019129E-03 Delta_ex -0.5687763E-03 Delta_ec 0.1478002E-03 Delta_et -0.8975445E-03 Pxc 0.4521486E+01 Qxc -0.3848279E+01 3,+3 122 3 +3 -1.155108 -1.093885 1.152059 Rho 0.5179807E-02 |GRAD(Rho)| 0.2756924E-15 GRAD(Rho)x -0.1231469E-15 GRAD(Rho)y 0.1473635E-15 GRAD(Rho)z -0.1978007E-15 Laplacian 0.2141682E-01 (-1/4)Del**2(Rho)) -0.5354204E-02 Diamond 0.1639750E-03 Metallicity 0.4989392E+00 Ellipticity -0.3801332E-01 Gb(Abramov) 0.4014707E-02 Vb(Abramov) -0.2675209E-02 Hb(Abramov) 0.1339498E-02 Ex_ueg -0.6619165E-03 Ec_ueg -0.1546588E-03 Delta_ex -0.7534348E-03 Delta_ec 0.1054063E-03 Delta_et -0.8076605E-03 Pxc 0.4279849E+01 Qxc -0.7147909E+01 3,+3 123 3 +3 -0.201137 -0.515253 -2.618186 Rho 0.2955699E-02 |GRAD(Rho)| 0.1635286E-15 GRAD(Rho)x -0.1324621E-15 GRAD(Rho)y -0.9065963E-16 GRAD(Rho)z -0.3124450E-16 Laplacian 0.1172277E-01 (-1/4)Del**2(Rho)) -0.2930692E-02 Diamond 0.8471795E-04 Metallicity 0.3578354E+00 Ellipticity -0.7341310E+00 Gb(Abramov) 0.2128579E-02 Vb(Abramov) -0.1326466E-02 Hb(Abramov) 0.8021132E-03 Ex_ueg -0.3132795E-03 Ec_ueg -0.6002768E-04 Delta_ex -0.4346770E-03 Delta_ec 0.2011300E-03 Delta_et -0.1001712E-02 Pxc 0.5218918E+01 Qxc -0.2161175E+01 3,+3 124 3 +1 -0.280801 -1.241999 -2.497816 Rho 0.3536018E-02 |GRAD(Rho)| 0.2726778E-17 GRAD(Rho)x -0.1646632E-17 GRAD(Rho)y 0.9567237E-18 GRAD(Rho)z 0.1951564E-17 Laplacian 0.1406186E-01 (-1/4)Del**2(Rho)) -0.3515465E-02 Diamond 0.1394483E-03 Metallicity 0.4021869E+00 Ellipticity -0.1290868E+01 Gb(Abramov) 0.2579289E-02 Vb(Abramov) -0.1643113E-02 Hb(Abramov) 0.9361759E-03 Ex_ueg -0.3978668E-03 Ec_ueg -0.8446616E-04 Delta_ex -0.5571132E-03 Delta_ec 0.2678549E-03 Delta_et -0.1382882E-02 Pxc 0.4710370E+01 Qxc -0.2079907E+01 3,+1 125 3 +1 -0.144766 -2.190643 -1.071068 Rho 0.6850256E-02 |GRAD(Rho)| 0.2392018E-14 GRAD(Rho)x -0.1161601E-14 GRAD(Rho)y -0.2048754E-14 GRAD(Rho)z -0.4183801E-15 Laplacian 0.2732967E-01 (-1/4)Del**2(Rho)) -0.6832417E-02 Diamond 0.8017452E-03 Metallicity 0.6230030E+00 Ellipticity -0.2067224E+01 Gb(Abramov) 0.5264381E-02 Vb(Abramov) -0.3696345E-02 Hb(Abramov) 0.1568036E-02 Ex_ueg -0.9608616E-03 Ec_ueg -0.2273857E-03 Delta_ex -0.1341126E-02 Delta_ec 0.6733663E-03 Delta_et -0.4090404E-02 Pxc 0.4225690E+01 Qxc -0.1991674E+01 3,+1 126 3 -1 -0.468414 -0.368605 -0.356628 Rho 0.2077159E+00 |GRAD(Rho)| 0.4176678E-15 GRAD(Rho)x 0.1566240E-15 GRAD(Rho)y 0.2943747E-15 GRAD(Rho)z 0.2515131E-15 Laplacian 0.7769303E+00 (-1/4)Del**2(Rho)) -0.1942326E+00 Diamond 0.2549042E+01 Metallicity 0.6461711E+01 Ellipticity 0.2822710E-01 Gb(Abramov) 0.3386675E+00 Vb(Abramov) -0.4831024E+00 Hb(Abramov) -0.1444349E+00 Ex_ueg -0.9085416E-01 Ec_ueg -0.1223603E-01 Delta_ex -0.9196783E-01 Delta_ec 0.2065050E-01 Delta_et -0.2939894E+00 Pxc 0.7425135E+01 Qxc -0.4453540E+01 3,-1 127 3 +1 1.987810 -2.003731 2.004303 Rho 0.1231745E-01 |GRAD(Rho)| 0.9079254E-15 GRAD(Rho)x -0.6515258E-15 GRAD(Rho)y 0.6250630E-15 GRAD(Rho)z -0.9559770E-16 Laplacian 0.5722714E-01 (-1/4)Del**2(Rho)) -0.1430678E-01 Diamond 0.2034388E-02 Metallicity 0.7910661E+00 Ellipticity -0.1201869E+01 Gb(Abramov) 0.1142413E-01 Vb(Abramov) -0.8541466E-02 Hb(Abramov) 0.2882660E-02 Ex_ueg -0.2100937E-02 Ec_ueg -0.4742436E-03 Delta_ex -0.2736886E-02 Delta_ec 0.5722280E-03 Delta_et -0.4447446E-02 Pxc 0.4430080E+01 Qxc -0.4782860E+01 3,+1 128 3 -1 0.580809 1.827536 2.779539 Rho 0.1496495E+00 |GRAD(Rho)| 0.5344021E-16 GRAD(Rho)x -0.1233280E-16 GRAD(Rho)y -0.3955983E-16 GRAD(Rho)z -0.3374579E-16 Laplacian 0.6284862E+00 (-1/4)Del**2(Rho)) -0.1571215E+00 Diamond 0.1250315E+01 Metallicity 0.4624975E+01 Ellipticity 0.2432103E-01 Gb(Abramov) 0.2258616E+00 Vb(Abramov) -0.2946016E+00 Hb(Abramov) -0.6874003E-01 Ex_ueg -0.5867935E-01 Ec_ueg -0.8421079E-02 Delta_ex -0.6725745E-01 Delta_ec 0.1560326E-01 Delta_et -0.2068329E+00 Pxc 0.6968151E+01 Qxc -0.4310475E+01 3,-1 129 3 -1 2.923168 -2.000809 0.787214 Rho 0.8951963E-01 |GRAD(Rho)| 0.1493907E-15 GRAD(Rho)x 0.1044087E-15 GRAD(Rho)y 0.8693777E-16 GRAD(Rho)z -0.6211462E-16 Laplacian 0.3587280E+00 (-1/4)Del**2(Rho)) -0.8968200E-01 Diamond 0.3875592E+00 Metallicity 0.3441214E+01 Ellipticity 0.7837563E-02 Gb(Abramov) 0.1112238E+00 Vb(Abramov) -0.1327656E+00 Hb(Abramov) -0.2154182E-01 Ex_ueg -0.2957622E-01 Ec_ueg -0.4694689E-02 Delta_ex -0.3402104E-01 Delta_ec 0.1014839E-01 Delta_et -0.1231338E+00 Pxc 0.6299932E+01 Qxc -0.3352359E+01 3,-1 130 3 -1 2.786673 -1.837024 -0.614333 Rho 0.1278034E+00 |GRAD(Rho)| 0.1524922E-12 GRAD(Rho)x -0.3927589E-13 GRAD(Rho)y -0.1221090E-12 GRAD(Rho)z 0.8246608E-13 Laplacian 0.5231702E+00 (-1/4)Del**2(Rho)) -0.1307926E+00 Diamond 0.8712859E+00 Metallicity 0.4271111E+01 Ellipticity 0.1188552E-01 Gb(Abramov) 0.1802999E+00 Vb(Abramov) -0.2298073E+00 Hb(Abramov) -0.4950740E-01 Ex_ueg -0.4754537E-01 Ec_ueg -0.7038145E-02 Delta_ex -0.5399608E-01 Delta_ec 0.1372643E-01 Delta_et -0.1781886E+00 Pxc 0.6755384E+01 Qxc -0.3933730E+01 3,-1 131 3 -1 2.973625 -0.861004 1.984208 Rho 0.1808827E+00 |GRAD(Rho)| 0.2421244E-15 GRAD(Rho)x 0.1019150E-15 GRAD(Rho)y -0.9996344E-16 GRAD(Rho)z 0.1955630E-15 Laplacian 0.7122426E+00 (-1/4)Del**2(Rho)) -0.1780607E+00 Diamond 0.1801211E+01 Metallicity 0.5597324E+01 Ellipticity 0.5417962E-01 Gb(Abramov) 0.2848176E+00 Vb(Abramov) -0.3915746E+00 Hb(Abramov) -0.1067570E+00 Ex_ueg -0.7555234E-01 Ec_ueg -0.1044897E-01 Delta_ex -0.8008876E-01 Delta_ec 0.1714245E-01 Delta_et -0.2332245E+00 Pxc 0.7230601E+01 Qxc -0.4671955E+01 3,-1 132 3 -1 -2.997035 1.958012 0.877136 Rho 0.1458031E+00 |GRAD(Rho)| 0.1767222E-15 GRAD(Rho)x 0.9494901E-16 GRAD(Rho)y -0.5278709E-16 GRAD(Rho)z -0.1393877E-15 Laplacian 0.5775998E+00 (-1/4)Del**2(Rho)) -0.1443999E+00 Diamond 0.1137601E+01 Metallicity 0.4818711E+01 Ellipticity 0.3501580E-01 Gb(Abramov) 0.2122369E+00 Vb(Abramov) -0.2800738E+00 Hb(Abramov) -0.6783694E-01 Ex_ueg -0.5667708E-01 Ec_ueg -0.8175397E-02 Delta_ex -0.6166377E-01 Delta_ec 0.1487503E-01 Delta_et -0.1974806E+00 Pxc 0.6932640E+01 Qxc -0.4145457E+01 3,-1 133 3 -1 -3.206330 3.163704 -0.038504 Rho 0.2482387E+00 |GRAD(Rho)| 0.1145625E-13 GRAD(Rho)x -0.1015583E-13 GRAD(Rho)y 0.9112719E-15 GRAD(Rho)z 0.5222493E-14 Laplacian 0.9050767E+00 (-1/4)Del**2(Rho)) -0.2262692E+00 Diamond 0.3322822E+01 Metallicity 0.7465238E+01 Ellipticity 0.2768346E-02 Gb(Abramov) 0.4323717E+00 Vb(Abramov) -0.6384741E+00 Hb(Abramov) -0.2061025E+00 Ex_ueg -0.1152244E+00 Ec_ueg -0.1501049E-01 Delta_ex -0.1102662E+00 Delta_ec 0.1969403E-01 Delta_et -0.2726107E+00 Pxc 0.7676258E+01 Qxc -0.5598967E+01 3,-1 134 3 -1 -1.620743 -2.193123 -3.010838 Rho 0.3149351E+00 |GRAD(Rho)| 0.4660291E-15 GRAD(Rho)x -0.1510478E-15 GRAD(Rho)y -0.1979092E-16 GRAD(Rho)z 0.4404271E-15 Laplacian -0.1595674E+01 (-1/4)Del**2(Rho)) 0.3989186E+00 Diamond 0.5507403E+01 Metallicity -0.6295602E+01 Ellipticity 0.1408854E-02 Gb(Abramov) 0.1526264E+00 Vb(Abramov) -0.7041714E+00 Hb(Abramov) -0.5515450E+00 Ex_ueg -0.1582510E+00 Ec_ueg -0.1977325E-01 Delta_ex 0.1577733E+00 Delta_ec 0.5591476E-01 Delta_et -0.1317745E+01 Pxc 0.8003286E+01 Qxc 0.2821675E+01 3,-1 135 3 +1 -2.201146 -2.150263 -2.025136 Rho 0.1259930E-01 |GRAD(Rho)| 0.1029496E-16 GRAD(Rho)x 0.3760892E-17 GRAD(Rho)y -0.6564471E-17 GRAD(Rho)z 0.6982086E-17 Laplacian 0.5690003E-01 (-1/4)Del**2(Rho)) -0.1422501E-01 Diamond 0.2260706E-02 Metallicity 0.8261865E+00 Ellipticity -0.1308822E+01 Gb(Abramov) 0.1144209E-01 Vb(Abramov) -0.8659173E-02 Hb(Abramov) 0.2782918E-02 Ex_ueg -0.2165278E-02 Ec_ueg -0.4873051E-03 Delta_ex -0.2785228E-02 Delta_ec 0.6530145E-03 Delta_et -0.5019080E-02 Pxc 0.4443373E+01 Qxc -0.4265186E+01 3,+1 136 3 +1 -2.225375 -1.091262 -1.240514 Rho 0.2710476E-01 |GRAD(Rho)| 0.5847599E-16 GRAD(Rho)x -0.4568956E-16 GRAD(Rho)y 0.6107292E-17 GRAD(Rho)z -0.3598064E-16 Laplacian 0.1089541E+00 (-1/4)Del**2(Rho)) -0.2723852E-01 Diamond 0.1617797E-01 Metallicity 0.1546841E+01 Ellipticity -0.4064233E+01 Gb(Abramov) 0.2518129E-01 Vb(Abramov) -0.2312406E-01 Hb(Abramov) 0.2057232E-02 Ex_ueg -0.6013295E-02 Ec_ueg -0.1195259E-02 Delta_ex -0.6949024E-02 Delta_ec 0.1892410E-02 Delta_et -0.1702848E-01 Pxc 0.5030957E+01 Qxc -0.3672051E+01 3,+1 137 3 -1 -2.160915 -0.916821 -3.017920 Rho 0.1534762E+00 |GRAD(Rho)| 0.1405853E-14 GRAD(Rho)x 0.4964833E-15 GRAD(Rho)y -0.1219809E-14 GRAD(Rho)z -0.4919296E-15 Laplacian 0.5836285E+00 (-1/4)Del**2(Rho)) -0.1459071E+00 Diamond 0.1240965E+01 Metallicity 0.5194518E+01 Ellipticity 0.1224902E+00 Gb(Abramov) 0.2235909E+00 Vb(Abramov) -0.3012748E+00 Hb(Abramov) -0.7768381E-01 Ex_ueg -0.6068852E-01 Ec_ueg -0.8666413E-02 Delta_ex -0.6327462E-01 Delta_ec 0.1515917E-01 Delta_et -0.2034718E+00 Pxc 0.7002727E+01 Qxc -0.4174017E+01 3,-1 138 3 +1 -1.575159 -1.873565 -1.856050 Rho 0.1054805E-01 |GRAD(Rho)| 0.1354968E-16 GRAD(Rho)x -0.7081195E-18 GRAD(Rho)y 0.1081372E-16 GRAD(Rho)z 0.8133634E-17 Laplacian 0.4786883E-01 (-1/4)Del**2(Rho)) -0.1196721E-01 Diamond 0.1352958E-02 Metallicity 0.7303215E+00 Ellipticity -0.1110734E+01 Gb(Abramov) 0.9434790E-02 Vb(Abramov) -0.6902372E-02 Hb(Abramov) 0.2532418E-02 Ex_ueg -0.1708499E-02 Ec_ueg -0.3929638E-03 Delta_ex -0.2187320E-02 Delta_ec 0.4653954E-03 Delta_et -0.3508167E-02 Pxc 0.4347726E+01 Qxc -0.4699917E+01 3,+1 139 3 -1 -0.587550 -1.801996 2.784380 Rho 0.1340845E+00 |GRAD(Rho)| 0.5005318E-15 GRAD(Rho)x -0.2653449E-15 GRAD(Rho)y 0.4117393E-15 GRAD(Rho)z 0.1029314E-15 Laplacian 0.5643303E+00 (-1/4)Del**2(Rho)) -0.1410826E+00 Diamond 0.1005189E+01 Metallicity 0.4289212E+01 Ellipticity 0.8425151E-02 Gb(Abramov) 0.1949106E+00 Vb(Abramov) -0.2487386E+00 Hb(Abramov) -0.5382800E-01 Ex_ueg -0.5068622E-01 Ec_ueg -0.7432617E-02 Delta_ex -0.5903411E-01 Delta_ec 0.1483487E-01 Delta_et -0.1944512E+00 Pxc 0.6819432E+01 Qxc -0.3979415E+01 3,-1 140 3 -1 0.106850 -1.961836 -1.013121 Rho 0.7084939E-02 |GRAD(Rho)| 0.3066935E-13 GRAD(Rho)x -0.2679737E-13 GRAD(Rho)y 0.3251088E-14 GRAD(Rho)z -0.1455818E-13 Laplacian 0.2767699E-01 (-1/4)Del**2(Rho)) -0.6919248E-02 Diamond 0.1203259E-02 Metallicity 0.6507104E+00 Ellipticity 0.8018223E+00 Gb(Abramov) 0.5363237E-02 Vb(Abramov) -0.3807225E-02 Hb(Abramov) 0.1556012E-02 Ex_ueg -0.1005001E-02 Ec_ueg -0.2377109E-03 Delta_ex -0.1574462E-02 Delta_ec 0.1050191E-02 Delta_et -0.6262104E-02 Pxc 0.4227830E+01 Qxc -0.1499215E+01 3,-1 141 3 +1 0.379696 -1.763707 -0.691225 Rho 0.6603113E-02 |GRAD(Rho)| 0.9436390E-17 GRAD(Rho)x 0.3225501E-17 GRAD(Rho)y 0.5952948E-17 GRAD(Rho)z 0.6572976E-17 Laplacian 0.2688127E-01 (-1/4)Del**2(Rho)) -0.6720318E-02 Diamond 0.7138566E-03 Metallicity 0.5957690E+00 Ellipticity -0.1818203E+01 Gb(Abramov) 0.5147505E-02 Vb(Abramov) -0.3574691E-02 Hb(Abramov) 0.1572813E-02 Ex_ueg -0.9149205E-03 Ec_ueg -0.2165405E-03 Delta_ex -0.1285191E-02 Delta_ec 0.6204742E-03 Delta_et -0.3749949E-02 Pxc 0.4225171E+01 Qxc -0.2071304E+01 3,+1 142 3 +1 0.310375 -1.482978 -1.673822 Rho 0.5081012E-02 |GRAD(Rho)| 0.8949924E-17 GRAD(Rho)x 0.4336809E-17 GRAD(Rho)y -0.7413232E-17 GRAD(Rho)z -0.2517382E-17 Laplacian 0.2039267E-01 (-1/4)Del**2(Rho)) -0.5098167E-02 Diamond 0.4568626E-03 Metallicity 0.5074456E+00 Ellipticity -0.2335431E+01 Gb(Abramov) 0.3829952E-02 Vb(Abramov) -0.2561737E-02 Hb(Abramov) 0.1268215E-02 Ex_ueg -0.6451372E-03 Ec_ueg -0.1504008E-03 Delta_ex -0.9906227E-03 Delta_ec 0.5949558E-03 Delta_et -0.3265787E-02 Pxc 0.4289454E+01 Qxc -0.1665036E+01 3,+1 143 3 -1 0.447911 -1.698398 1.666022 Rho 0.4372685E-01 |GRAD(Rho)| 0.8061529E-16 GRAD(Rho)x 0.2500854E-16 GRAD(Rho)y 0.3312619E-16 GRAD(Rho)z -0.6910899E-16 Laplacian 0.1725914E+00 (-1/4)Del**2(Rho)) -0.4314786E-01 Diamond 0.7222063E-01 Metallicity 0.2166910E+01 Ellipticity 0.1139511E-01 Gb(Abramov) 0.4434816E-01 Vb(Abramov) -0.4554846E-01 Hb(Abramov) -0.1200299E-02 Ex_ueg -0.1137756E-01 Ec_ueg -0.2071170E-02 Delta_ex -0.1370141E-01 Delta_ec 0.5083723E-02 Delta_et -0.5173287E-01 Pxc 0.5493303E+01 Qxc -0.2695153E+01 3,-1 144 3 -1 0.806658 -1.964532 2.973950 Rho 0.1369326E+00 |GRAD(Rho)| 0.3139719E-15 GRAD(Rho)x -0.2969088E-15 GRAD(Rho)y -0.9119496E-16 GRAD(Rho)z -0.4590241E-16 Laplacian 0.5456882E+00 (-1/4)Del**2(Rho)) -0.1364221E+00 Diamond 0.9959503E+00 Metallicity 0.4593881E+01 Ellipticity 0.2615651E-01 Gb(Abramov) 0.1953992E+00 Vb(Abramov) -0.2543763E+00 Hb(Abramov) -0.5897710E-01 Ex_ueg -0.5212675E-01 Ec_ueg -0.7612332E-02 Delta_ex -0.5736513E-01 Delta_ec 0.1425460E-01 Delta_et -0.1874296E+00 Pxc 0.6847672E+01 Qxc -0.4024323E+01 3,-1 145 3 +1 1.372916 2.066393 -0.963710 Rho 0.2315605E-01 |GRAD(Rho)| 0.5911496E-16 GRAD(Rho)x 0.2960050E-16 GRAD(Rho)y 0.5099628E-16 GRAD(Rho)z -0.4215335E-17 Laplacian 0.8948564E-01 (-1/4)Del**2(Rho)) -0.2237141E-01 Diamond 0.9515318E-02 Metallicity 0.1448662E+01 Ellipticity -0.2412222E+01 Gb(Abramov) 0.2031571E-01 Vb(Abramov) -0.1826001E-01 Hb(Abramov) 0.2055700E-02 Ex_ueg -0.4874585E-02 Ec_ueg -0.9963296E-03 Delta_ex -0.5330712E-02 Delta_ec 0.1300053E-02 Delta_et -0.1132350E-01 Pxc 0.4892542E+01 Qxc -0.4100379E+01 3,+1 146 3 -1 1.810682 2.799450 0.575721 Rho 0.1285701E+00 |GRAD(Rho)| 0.2935148E-15 GRAD(Rho)x -0.2093459E-15 GRAD(Rho)y 0.1306464E-15 GRAD(Rho)z 0.1589237E-15 Laplacian 0.5357449E+00 (-1/4)Del**2(Rho)) -0.1339362E+00 Diamond 0.8937601E+00 Metallicity 0.4212645E+01 Ellipticity 0.9353470E-02 Gb(Abramov) 0.1833285E+00 Vb(Abramov) -0.2327207E+00 Hb(Abramov) -0.4939222E-01 Ex_ueg -0.4792604E-01 Ec_ueg -0.7086154E-02 Delta_ex -0.5531365E-01 Delta_ec 0.1392921E-01 Delta_et -0.1808003E+00 Pxc 0.6763336E+01 Qxc -0.3971055E+01 3,-1 147 3 -1 3.198983 3.196532 0.084172 Rho 0.2385400E+00 |GRAD(Rho)| 0.4964708E-14 GRAD(Rho)x 0.1312481E-14 GRAD(Rho)y 0.4467889E-14 GRAD(Rho)z -0.1721537E-14 Laplacian 0.8398257E+00 (-1/4)Del**2(Rho)) -0.2099564E+00 Diamond 0.2974922E+01 Metallicity 0.7528226E+01 Ellipticity 0.7179820E-03 Gb(Abramov) 0.4034042E+00 Vb(Abramov) -0.5968519E+00 Hb(Abramov) -0.1934478E+00 Ex_ueg -0.1092614E+00 Ec_ueg -0.1433825E-01 Delta_ex -0.1014483E+00 Delta_ec 0.1883927E-01 Delta_et -0.2620110E+00 Pxc 0.7620275E+01 Qxc -0.5384940E+01 3,-1 148 3 -1 -1.858835 -2.740588 0.583300 Rho 0.1297995E+00 |GRAD(Rho)| 0.5256926E-16 GRAD(Rho)x -0.7060867E-17 GRAD(Rho)y -0.4519090E-16 GRAD(Rho)z 0.2591243E-16 Laplacian 0.5460930E+00 (-1/4)Del**2(Rho)) -0.1365233E+00 Diamond 0.9378139E+00 Metallicity 0.4198895E+01 Ellipticity 0.1694887E-01 Gb(Abramov) 0.1865566E+00 Vb(Abramov) -0.2365900E+00 Hb(Abramov) -0.5003338E-01 Ex_ueg -0.4853807E-01 Ec_ueg -0.7163224E-02 Delta_ex -0.5670888E-01 Delta_ec 0.1451771E-01 Delta_et -0.1893898E+00 Pxc 0.6776009E+01 Qxc -0.3906186E+01 3,-1 149 3 -1 -2.830479 -1.771521 0.615455 Rho 0.1478344E+00 |GRAD(Rho)| 0.1052358E-14 GRAD(Rho)x 0.2443453E-15 GRAD(Rho)y -0.9480264E-15 GRAD(Rho)z -0.3860031E-15 Laplacian 0.6227040E+00 (-1/4)Del**2(Rho)) -0.1556760E+00 Diamond 0.1242087E+01 Metallicity 0.4573940E+01 Ellipticity 0.1279933E-01 Gb(Abramov) 0.2224595E+00 Vb(Abramov) -0.2892429E+00 Hb(Abramov) -0.6678345E-01 Ex_ueg -0.5773231E-01 Ec_ueg -0.8305026E-02 Delta_ex -0.6665473E-01 Delta_ec 0.1589326E-01 Delta_et -0.2112223E+00 Pxc 0.6951490E+01 Qxc -0.4193898E+01 3,-1 150 3 -1 -3.035320 -0.842117 -1.960788 Rho 0.1270570E+00 |GRAD(Rho)| 0.1902316E-15 GRAD(Rho)x -0.5821488E-16 GRAD(Rho)y -0.9383770E-16 GRAD(Rho)z 0.1548986E-15 Laplacian 0.4921238E+00 (-1/4)Del**2(Rho)) -0.1230309E+00 Diamond 0.8282398E+00 Metallicity 0.4496448E+01 Ellipticity 0.1070221E-02 Gb(Abramov) 0.1742210E+00 Vb(Abramov) -0.2254111E+00 Hb(Abramov) -0.5119006E-01 Ex_ueg -0.4717548E-01 Ec_ueg -0.6991440E-02 Delta_ex -0.5089931E-01 Delta_ec 0.1324961E-01 Delta_et -0.1724117E+00 Pxc 0.6747605E+01 Qxc -0.3841570E+01 3,-1 151 3 -1 -1.807982 -0.559430 2.823932 Rho 0.1507385E+00 |GRAD(Rho)| 0.2925345E-15 GRAD(Rho)x -0.2665511E-15 GRAD(Rho)y 0.1181780E-15 GRAD(Rho)z -0.2368304E-16 Laplacian 0.6339673E+00 (-1/4)Del**2(Rho)) -0.1584918E+00 Diamond 0.1292616E+01 Metallicity 0.4640732E+01 Ellipticity 0.1590629E-01 Gb(Abramov) 0.2282476E+00 Vb(Abramov) -0.2980033E+00 Hb(Abramov) -0.6975575E-01 Ex_ueg -0.5924939E-01 Ec_ueg -0.8490804E-02 Delta_ex -0.6816716E-01 Delta_ec 0.1607054E-01 Delta_et -0.2140879E+00 Pxc 0.6978066E+01 Qxc -0.4241746E+01 3,-1 152 3 -1 -0.565490 1.733585 -2.767296 Rho 0.1323893E+00 |GRAD(Rho)| 0.1404340E-15 GRAD(Rho)x 0.1265128E-15 GRAD(Rho)y -0.3943785E-16 GRAD(Rho)z -0.4648517E-16 Laplacian 0.5601433E+00 (-1/4)Del**2(Rho)) -0.1400358E+00 Diamond 0.9821996E+00 Metallicity 0.4230601E+01 Ellipticity 0.1057513E-01 Gb(Abramov) 0.1920965E+00 Vb(Abramov) -0.2441572E+00 Hb(Abramov) -0.5206068E-01 Ex_ueg -0.4983359E-01 Ec_ueg -0.7325895E-02 Delta_ex -0.5841171E-01 Delta_ec 0.1476146E-01 Delta_et -0.1930791E+00 Pxc 0.6802389E+01 Qxc -0.3957041E+01 3,-1 153 3 -1 -0.832191 2.005737 2.987209 Rho 0.1236692E+00 |GRAD(Rho)| 0.2233721E-15 GRAD(Rho)x 0.5173000E-16 GRAD(Rho)y 0.4905337E-16 GRAD(Rho)z -0.2116905E-15 Laplacian 0.4886951E+00 (-1/4)Del**2(Rho)) -0.1221738E+00 Diamond 0.7807210E+00 Metallicity 0.4328571E+01 Ellipticity 0.3447793E-01 Gb(Abramov) 0.1695888E+00 Vb(Abramov) -0.2170039E+00 Hb(Abramov) -0.4741506E-01 Ex_ueg -0.4550585E-01 Ec_ueg -0.6779944E-02 Delta_ex -0.5002022E-01 Delta_ec 0.1288522E-01 Delta_et -0.1662920E+00 Pxc 0.6711832E+01 Qxc -0.3881983E+01 3,-1 154 3 +1 1.407498 0.907896 -2.086280 Rho 0.2340539E-01 |GRAD(Rho)| 0.6505426E-16 GRAD(Rho)x 0.1859903E-16 GRAD(Rho)y 0.2271305E-16 GRAD(Rho)z -0.5805385E-16 Laplacian 0.9167589E-01 (-1/4)Del**2(Rho)) -0.2291897E-01 Diamond 0.1012279E-01 Metallicity 0.1439521E+01 Ellipticity -0.2511552E+01 Gb(Abramov) 0.2077804E-01 Vb(Abramov) -0.1863710E-01 Hb(Abramov) 0.2140935E-02 Ex_ueg -0.4944696E-02 Ec_ueg -0.1008768E-02 Delta_ex -0.5504316E-02 Delta_ec 0.1380438E-02 Delta_et -0.1203803E-01 Pxc 0.4901718E+01 Qxc -0.3987369E+01 3,+1 155 3 -1 -0.049293 3.118597 -3.171840 Rho 0.2484471E+00 |GRAD(Rho)| 0.3825115E-15 GRAD(Rho)x -0.1219727E-17 GRAD(Rho)y -0.3825065E-15 GRAD(Rho)z 0.1517883E-17 Laplacian 0.9132368E+00 (-1/4)Del**2(Rho)) -0.2283092E+00 Diamond 0.3350799E+01 Metallicity 0.7408886E+01 Ellipticity 0.1282744E-02 Gb(Abramov) 0.4341256E+00 Vb(Abramov) -0.6399420E+00 Hb(Abramov) -0.2058164E+00 Ex_ueg -0.1153534E+00 Ec_ueg -0.1502499E-01 Delta_ex -0.1112576E+00 Delta_ec 0.1981781E-01 Delta_et -0.2741033E+00 Pxc 0.7677434E+01 Qxc -0.5614020E+01 3,-1 156 3 -1 0.084835 3.204991 3.190701 Rho 0.2372440E+00 |GRAD(Rho)| 0.2683069E-12 GRAD(Rho)x -0.4587876E-13 GRAD(Rho)y -0.1884868E-12 GRAD(Rho)z -0.1853549E-12 Laplacian 0.8456432E+00 (-1/4)Del**2(Rho)) -0.2114108E+00 Diamond 0.2965991E+01 Metallicity 0.7408861E+01 Ellipticity 0.2157524E-02 Gb(Abramov) 0.4019927E+00 Vb(Abramov) -0.5925747E+00 Hb(Abramov) -0.1905819E+00 Ex_ueg -0.1084706E+00 Ec_ueg -0.1424881E-01 Delta_ex -0.1019524E+00 Delta_ec 0.1890393E-01 Delta_et -0.2624368E+00 Pxc 0.7612609E+01 Qxc -0.5393188E+01 3,-1 157 3 +3 1.813203 -1.832555 1.806847 Rho 0.1193263E-01 |GRAD(Rho)| 0.8398592E-17 GRAD(Rho)x 0.6212662E-17 GRAD(Rho)y 0.6282580E-18 GRAD(Rho)z -0.5616446E-17 Laplacian 0.5373261E-01 (-1/4)Del**2(Rho)) -0.1343315E-01 Diamond 0.1149472E-02 Metallicity 0.7991023E+00 Ellipticity -0.5636685E+00 Gb(Abramov) 0.1074451E-01 Vb(Abramov) -0.8055872E-02 Hb(Abramov) 0.2688640E-02 Ex_ueg -0.2013879E-02 Ec_ueg -0.4564600E-03 Delta_ex -0.2349894E-02 Delta_ec 0.1843533E-03 Delta_et -0.1775918E-02 Pxc 0.4411951E+01 Qxc -0.1274669E+02 3,+3 158 3 -1 1.951293 -2.995050 0.799845 Rho 0.1223749E+00 |GRAD(Rho)| 0.1018009E-11 GRAD(Rho)x 0.6028725E-12 GRAD(Rho)y -0.8193118E-12 GRAD(Rho)z 0.4019476E-13 Laplacian 0.4774672E+00 (-1/4)Del**2(Rho)) -0.1193668E+00 Diamond 0.7597837E+00 Metallicity 0.4353350E+01 Ellipticity 0.2356623E-01 Gb(Abramov) 0.1661854E+00 Vb(Abramov) -0.2130041E+00 Hb(Abramov) -0.4681864E-01 Ex_ueg -0.4487194E-01 Ec_ueg -0.6699346E-02 Delta_ex -0.4883395E-01 Delta_ec 0.1277415E-01 Delta_et -0.1648288E+00 Pxc 0.6697958E+01 Qxc -0.3822871E+01 3,-1 159 3 +1 2.087996 1.037762 -1.302298 Rho 0.2115924E-01 |GRAD(Rho)| 0.9996293E-14 GRAD(Rho)x 0.3504932E-14 GRAD(Rho)y -0.5301845E-14 GRAD(Rho)z -0.7715683E-14 Laplacian 0.8267164E-01 (-1/4)Del**2(Rho)) -0.2066791E-01 Diamond 0.9403775E-02 Metallicity 0.1349243E+01 Ellipticity -0.4888284E+01 Gb(Abramov) 0.1842628E-01 Vb(Abramov) -0.1618464E-01 Hb(Abramov) 0.2241633E-02 Ex_ueg -0.4322335E-02 Ec_ueg -0.8973532E-03 Delta_ex -0.5028536E-02 Delta_ec 0.1598606E-02 Delta_et -0.1347370E-01 Pxc 0.4816760E+01 Qxc -0.3145576E+01 3,+1 160 3 +3 1.838838 1.770698 -1.797469 Rho 0.1169489E-01 |GRAD(Rho)| 0.2958769E-12 GRAD(Rho)x -0.2524046E-12 GRAD(Rho)y 0.1095092E-12 GRAD(Rho)z -0.1088246E-12 Laplacian 0.5291015E-01 (-1/4)Del**2(Rho)) -0.1322754E-01 Diamond 0.1062220E-02 Metallicity 0.7847550E+00 Ellipticity -0.5554328E+00 Gb(Abramov) 0.1054842E-01 Vb(Abramov) -0.7869305E-02 Hb(Abramov) 0.2679116E-02 Ex_ueg -0.1960558E-02 Ec_ueg -0.4455022E-03 Delta_ex -0.2288788E-02 Delta_ec 0.1611693E-03 Delta_et -0.1610274E-02 Pxc 0.4400781E+01 Qxc -0.1420114E+02 3,+3 161 3 -1 3.145235 -3.242987 -0.123360 Rho 0.2332488E+00 |GRAD(Rho)| 0.1209711E-13 GRAD(Rho)x 0.1068942E-13 GRAD(Rho)y -0.1563691E-14 GRAD(Rho)z 0.5443467E-14 Laplacian 0.8323759E+00 (-1/4)Del**2(Rho)) -0.2080940E+00 Diamond 0.2861130E+01 Metallicity 0.7316879E+01 Ellipticity 0.1001071E-01 Gb(Abramov) 0.3924958E+00 Vb(Abramov) -0.5768975E+00 Hb(Abramov) -0.1844018E+00 Ex_ueg -0.1060419E+00 Ec_ueg -0.1397367E-01 Delta_ex -0.9991440E-01 Delta_ec 0.1870722E-01 Delta_et -0.2595470E+00 Pxc 0.7588695E+01 Qxc -0.5340954E+01 3,-1 162 3 -1 -2.795452 1.770741 -0.537825 Rho 0.1426616E+00 |GRAD(Rho)| 0.2383720E-15 GRAD(Rho)x 0.2614282E-16 GRAD(Rho)y -0.2103081E-15 GRAD(Rho)z -0.1091249E-15 Laplacian 0.6020246E+00 (-1/4)Del**2(Rho)) -0.1505062E+00 Diamond 0.1148133E+01 Metallicity 0.4458381E+01 Ellipticity 0.1319610E-01 Gb(Abramov) 0.2121731E+00 Vb(Abramov) -0.2738400E+00 Hb(Abramov) -0.6166692E-01 Ex_ueg -0.5505469E-01 Ec_ueg -0.7975416E-02 Delta_ex -0.6385642E-01 Delta_ec 0.1545470E-01 Delta_et -0.2042366E+00 Pxc 0.6903050E+01 Qxc -0.4131844E+01 3,-1 163 3 -1 -1.706996 1.673110 0.521428 Rho 0.4438824E-01 |GRAD(Rho)| 0.1340018E-13 GRAD(Rho)x -0.8521893E-14 GRAD(Rho)y 0.9841971E-14 GRAD(Rho)z -0.3174554E-14 Laplacian 0.1751597E+00 (-1/4)Del**2(Rho)) -0.4378991E-01 Diamond 0.7442612E-01 Metallicity 0.2189234E+01 Ellipticity 0.1428984E-01 Gb(Abramov) 0.4517100E-01 Vb(Abramov) -0.4655210E-01 Hb(Abramov) -0.1381092E-02 Ex_ueg -0.1160759E-01 Ec_ueg -0.2107108E-02 Delta_ex -0.1393837E-01 Delta_ec 0.5124479E-02 Delta_et -0.5234911E-01 Pxc 0.5508779E+01 Qxc -0.2719958E+01 3,-1 164 3 -1 -1.992565 2.961205 0.856446 Rho 0.1514884E+00 |GRAD(Rho)| 0.1320419E-14 GRAD(Rho)x -0.5902397E-15 GRAD(Rho)y -0.5856047E-15 GRAD(Rho)z -0.1025764E-14 Laplacian 0.6013837E+00 (-1/4)Del**2(Rho)) -0.1503459E+00 Diamond 0.1236575E+01 Metallicity 0.4932804E+01 Ellipticity 0.4377138E-01 Gb(Abramov) 0.2238351E+00 Vb(Abramov) -0.2973243E+00 Hb(Abramov) -0.7348918E-01 Ex_ueg -0.5964274E-01 Ec_ueg -0.8538861E-02 Delta_ex -0.6477274E-01 Delta_ec 0.1527955E-01 Delta_et -0.2038157E+00 Pxc 0.6984859E+01 Qxc -0.4239179E+01 3,-1 165 3 -1 -0.831248 2.972995 1.982006 Rho 0.1213912E+00 |GRAD(Rho)| 0.3488112E-15 GRAD(Rho)x 0.3382236E-15 GRAD(Rho)y -0.4070840E-16 GRAD(Rho)z 0.7494548E-16 Laplacian 0.4770179E+00 (-1/4)Del**2(Rho)) -0.1192545E+00 Diamond 0.7449332E+00 Metallicity 0.4299231E+01 Ellipticity 0.3052174E-01 Gb(Abramov) 0.1649534E+00 Vb(Abramov) -0.2106523E+00 Hb(Abramov) -0.4569892E-01 Ex_ueg -0.4439167E-01 Ec_ueg -0.6638171E-02 Delta_ex -0.4860417E-01 Delta_ec 0.1262577E-01 Delta_et -0.1624193E+00 Pxc 0.6687336E+01 Qxc -0.3849600E+01 3,-1 166 3 -1 0.835098 -2.974007 1.977200 Rho 0.1526169E+00 |GRAD(Rho)| 0.5889414E-15 GRAD(Rho)x 0.5167037E-15 GRAD(Rho)y 0.3806905E-16 GRAD(Rho)z -0.2800359E-15 Laplacian 0.6075185E+00 (-1/4)Del**2(Rho)) -0.1518796E+00 Diamond 0.1259368E+01 Metallicity 0.4943768E+01 Ellipticity 0.4802757E-01 Gb(Abramov) 0.2263960E+00 Vb(Abramov) -0.3009124E+00 Hb(Abramov) -0.7451638E-01 Ex_ueg -0.6023587E-01 Ec_ueg -0.8611243E-02 Delta_ex -0.6554331E-01 Delta_ec 0.1538943E-01 Delta_et -0.2054502E+00 Pxc 0.6995026E+01 Qxc -0.4258982E+01 3,-1 167 3 -1 1.180259 -2.316188 -2.018201 Rho 0.4973022E-01 |GRAD(Rho)| 0.1208383E-15 GRAD(Rho)x 0.2977314E-17 GRAD(Rho)y 0.6470837E-16 GRAD(Rho)z -0.1020092E-15 Laplacian 0.1305079E+00 (-1/4)Del**2(Rho)) -0.3262696E-01 Diamond 0.1043749E+00 Metallicity 0.3550944E+01 Ellipticity 0.1253759E-01 Gb(Abramov) 0.4106073E-01 Vb(Abramov) -0.4949449E-01 Hb(Abramov) -0.8433765E-02 Ex_ueg -0.1350658E-01 Ec_ueg -0.2399967E-02 Delta_ex -0.1240793E-01 Delta_ec 0.6888488E-02 Delta_et -0.7337485E-01 Pxc 0.5627821E+01 Qxc -0.1801256E+01 3,-1 168 3 +1 1.341864 -2.121303 0.962225 Rho 0.2389319E-01 |GRAD(Rho)| 0.9757929E-16 GRAD(Rho)x 0.3914700E-16 GRAD(Rho)y -0.8820071E-16 GRAD(Rho)z -0.1448674E-16 Laplacian 0.9330386E-01 (-1/4)Del**2(Rho)) -0.2332596E-01 Diamond 0.1073778E-01 Metallicity 0.1463874E+01 Ellipticity -0.2667121E+01 Gb(Abramov) 0.2124169E-01 Vb(Abramov) -0.1915741E-01 Hb(Abramov) 0.2084276E-02 Ex_ueg -0.5082576E-02 Ec_ueg -0.1033151E-02 Delta_ex -0.5649351E-02 Delta_ec 0.1433350E-02 Delta_et -0.1255205E-01 Pxc 0.4919490E+01 Qxc -0.3941361E+01 3,+1 169 3 -1 1.629066 -1.735817 0.430081 Rho 0.3341551E-01 |GRAD(Rho)| 0.5375419E-15 GRAD(Rho)x 0.3518705E-15 GRAD(Rho)y -0.3698816E-15 GRAD(Rho)z -0.1683035E-15 Laplacian 0.1345733E+00 (-1/4)Del**2(Rho)) -0.3364332E-01 Diamond 0.4045707E-01 Metallicity 0.1775148E+01 Ellipticity 0.1006527E-01 Gb(Abramov) 0.3238252E-01 Vb(Abramov) -0.3112173E-01 Hb(Abramov) 0.1260796E-02 Ex_ueg -0.7949061E-02 Ec_ueg -0.1521092E-02 Delta_ex -0.1009825E-01 Delta_ec 0.4154264E-02 Delta_et -0.3931197E-01 Pxc 0.5225892E+01 Qxc -0.2430816E+01 3,-1 170 3 -1 0.291703 -0.385209 0.353319 Rho 0.1992703E+00 |GRAD(Rho)| 0.1754513E-11 GRAD(Rho)x -0.1247705E-11 GRAD(Rho)y 0.8108172E-12 GRAD(Rho)z -0.9295819E-12 Laplacian 0.6851857E+00 (-1/4)Del**2(Rho)) -0.1712964E+00 Diamond 0.2174525E+01 Metallicity 0.6837160E+01 Ellipticity 0.3436851E-02 Gb(Abramov) 0.3093944E+00 Vb(Abramov) -0.4474925E+00 Hb(Abramov) -0.1380980E+00 Ex_ueg -0.8596237E-01 Ec_ueg -0.1166920E-01 Delta_ex -0.8051675E-01 Delta_ec 0.1884453E-01 Delta_et -0.2682464E+00 Pxc 0.7366606E+01 Qxc -0.4272686E+01 3,-1 171 3 -1 1.188608 -1.804238 -2.588582 Rho 0.3057075E+00 |GRAD(Rho)| 0.1957660E-15 GRAD(Rho)x -0.2091187E-16 GRAD(Rho)y -0.1584180E-15 GRAD(Rho)z 0.1130963E-15 Laplacian -0.1509429E+01 (-1/4)Del**2(Rho)) 0.3773572E+00 Diamond 0.5145171E+01 Metallicity -0.6333503E+01 Ellipticity 0.4027085E-02 Gb(Abramov) 0.1467607E+00 Vb(Abramov) -0.6708785E+00 Hb(Abramov) -0.5241179E+00 Ex_ueg -0.1520990E+00 Ec_ueg -0.1909966E-01 Delta_ex 0.1470513E+00 Delta_ec 0.5371279E-01 Delta_et -0.1247589E+01 Pxc 0.7963441E+01 Qxc 0.2737734E+01 3,-1 172 3 -1 1.700858 0.463303 -1.713481 Rho 0.2998203E-01 |GRAD(Rho)| 0.5326543E-16 GRAD(Rho)x -0.3678278E-16 GRAD(Rho)y 0.1019012E-16 GRAD(Rho)z 0.3715367E-16 Laplacian 0.1210455E+00 (-1/4)Del**2(Rho)) -0.3026137E-01 Diamond 0.3094133E-01 Metallicity 0.1647276E+01 Ellipticity 0.4287082E-01 Gb(Abramov) 0.2848238E-01 Vb(Abramov) -0.2670340E-01 Hb(Abramov) 0.1778983E-02 Ex_ueg -0.6879125E-02 Ec_ueg -0.1342680E-02 Delta_ex -0.8809064E-02 Delta_ec 0.3668166E-02 Delta_et -0.3368256E-01 Pxc 0.5123426E+01 Qxc -0.2401490E+01 3,-1 173 3 -1 1.807385 0.552947 2.777712 Rho 0.1201937E+00 |GRAD(Rho)| 0.8277377E-16 GRAD(Rho)x -0.5762535E-16 GRAD(Rho)y 0.4445229E-16 GRAD(Rho)z 0.3943108E-16 Laplacian 0.5052498E+00 (-1/4)Del**2(Rho)) -0.1263125E+00 Diamond 0.7888554E+00 Metallicity 0.3992483E+01 Ellipticity 0.1796983E-01 Gb(Abramov) 0.1682584E+00 Vb(Abramov) -0.2102042E+00 Hb(Abramov) -0.4194590E-01 Ex_ueg -0.4380872E-01 Ec_ueg -0.6563782E-02 Delta_ex -0.5148177E-01 Delta_ec 0.1362365E-01 Delta_et -0.1753236E+00 Pxc 0.6674310E+01 Qxc -0.3778852E+01 3,-1 174 3 -1 2.028218 0.792945 -2.976164 Rho 0.1338124E+00 |GRAD(Rho)| 0.5950736E-13 GRAD(Rho)x -0.5004754E-13 GRAD(Rho)y 0.2298210E-13 GRAD(Rho)z 0.2254312E-13 Laplacian 0.5312213E+00 (-1/4)Del**2(Rho)) -0.1328053E+00 Diamond 0.9354007E+00 Metallicity 0.4541140E+01 Ellipticity 0.3738458E-01 Gb(Abramov) 0.1890515E+00 Vb(Abramov) -0.2452977E+00 Hb(Abramov) -0.5624616E-01 Ex_ueg -0.5054911E-01 Ec_ueg -0.7415473E-02 Delta_ex -0.5544466E-01 Delta_ec 0.1379514E-01 Delta_et -0.1804238E+00 Pxc 0.6816708E+01 Qxc -0.4019144E+01 3,-1 175 3 -1 2.781878 1.833097 0.613633 Rho 0.1424889E+00 |GRAD(Rho)| 0.1937268E-15 GRAD(Rho)x 0.7685977E-16 GRAD(Rho)y -0.1316357E-15 GRAD(Rho)z 0.1195604E-15 Laplacian 0.6049152E+00 (-1/4)Del**2(Rho)) -0.1512288E+00 Diamond 0.1137847E+01 Metallicity 0.4428129E+01 Ellipticity 0.2229655E-01 Gb(Abramov) 0.2124293E+00 Vb(Abramov) -0.2736298E+00 Hb(Abramov) -0.6120050E-01 Ex_ueg -0.5496585E-01 Ec_ueg -0.7964441E-02 Delta_ex -0.6399341E-01 Delta_ec 0.1526456E-01 Delta_et -0.2011121E+00 Pxc 0.6901408E+01 Qxc -0.4192286E+01 3,-1 176 3 -1 3.299843 -0.027405 -3.190311 Rho 0.2374269E+00 |GRAD(Rho)| 0.4700140E-14 GRAD(Rho)x -0.4184099E-14 GRAD(Rho)y -0.1984388E-14 GRAD(Rho)z 0.8042612E-15 Laplacian 0.8340421E+00 (-1/4)Del**2(Rho)) -0.2085105E+00 Diamond 0.2938088E+01 Metallicity 0.7521566E+01 Ellipticity 0.1169474E-02 Gb(Abramov) 0.4003946E+00 Vb(Abramov) -0.5922787E+00 Hb(Abramov) -0.1918841E+00 Ex_ueg -0.1085821E+00 Ec_ueg -0.1426142E-01 Delta_ex -0.1006284E+00 Delta_ec 0.1873749E-01 Delta_et -0.2605539E+00 Pxc 0.7613693E+01 Qxc -0.5370427E+01 3,-1 177 3 -1 3.193829 0.006326 3.210011 Rho 0.2481493E+00 |GRAD(Rho)| 0.7271152E-15 GRAD(Rho)x 0.6689527E-15 GRAD(Rho)y 0.3821813E-17 GRAD(Rho)z 0.2849283E-15 Laplacian 0.8942642E+00 (-1/4)Del**2(Rho)) -0.2235660E+00 Diamond 0.3293574E+01 Metallicity 0.7550966E+01 Ellipticity 0.4440527E-02 Gb(Abramov) 0.4304006E+00 Vb(Abramov) -0.6372352E+00 Hb(Abramov) -0.2068346E+00 Ex_ueg -0.1151691E+00 Ec_ueg -0.1500427E-01 Delta_ex -0.1089991E+00 Delta_ec 0.1956879E-01 Delta_et -0.2713745E+00 Pxc 0.7675753E+01 Qxc -0.5570048E+01 3,-1 178 3 -1 2.777312 0.566895 1.838315 Rho 0.1334739E+00 |GRAD(Rho)| 0.4008655E-12 GRAD(Rho)x -0.6082062E-13 GRAD(Rho)y -0.2789985E-12 GRAD(Rho)z 0.2813429E-12 Laplacian 0.5611961E+00 (-1/4)Del**2(Rho)) -0.1402990E+00 Diamond 0.9974607E+00 Metallicity 0.4280480E+01 Ellipticity 0.1470913E-01 Gb(Abramov) 0.1936239E+00 Vb(Abramov) -0.2469487E+00 Hb(Abramov) -0.5332485E-01 Ex_ueg -0.5037869E-01 Ec_ueg -0.7394154E-02 Delta_ex -0.5868020E-01 Delta_ec 0.1483766E-01 Delta_et -0.1944790E+00 Pxc 0.6813313E+01 Qxc -0.3954815E+01 3,-1 179 3 -1 -0.578902 2.718189 -1.793479 Rho 0.1467735E+00 |GRAD(Rho)| 0.3831131E-15 GRAD(Rho)x 0.3061516E-15 GRAD(Rho)y 0.1259572E-15 GRAD(Rho)z 0.1928254E-15 Laplacian 0.6209814E+00 (-1/4)Del**2(Rho)) -0.1552453E+00 Diamond 0.1225662E+01 Metallicity 0.4531906E+01 Ellipticity 0.1191887E-01 Gb(Abramov) 0.2207564E+00 Vb(Abramov) -0.2862675E+00 Hb(Abramov) -0.6551110E-01 Ex_ueg -0.5718061E-01 Ec_ueg -0.8237295E-02 Delta_ex -0.6632932E-01 Delta_ec 0.1583502E-01 Delta_et -0.2101374E+00 Pxc 0.6941673E+01 Qxc -0.4188773E+01 3,-1 180 3 -1 -0.419858 0.353291 0.370459 Rho 0.1956998E+00 |GRAD(Rho)| 0.9813216E-15 GRAD(Rho)x 0.5850387E-15 GRAD(Rho)y -0.5286487E-15 GRAD(Rho)z -0.5841680E-15 Laplacian 0.6589829E+00 (-1/4)Del**2(Rho)) -0.1647457E+00 Diamond 0.2043030E+01 Metallicity 0.6897996E+01 Ellipticity 0.1663296E-02 Gb(Abramov) 0.2992330E+00 Vb(Abramov) -0.4337204E+00 Hb(Abramov) -0.1344873E+00 Ex_ueg -0.8391486E-01 Ec_ueg -0.1143076E-01 Delta_ex -0.7706837E-01 Delta_ec 0.1816427E-01 Delta_et -0.2578232E+00 Pxc 0.7341143E+01 Qxc -0.4242856E+01 3,-1 181 3 -1 -0.078379 -3.199654 3.171240 Rho 0.2485918E+00 |GRAD(Rho)| 0.1577873E-13 GRAD(Rho)x -0.1229423E-13 GRAD(Rho)y -0.9113370E-14 GRAD(Rho)z 0.3842738E-14 Laplacian 0.9055597E+00 (-1/4)Del**2(Rho)) -0.2263899E+00 Diamond 0.3331315E+01 Metallicity 0.7478950E+01 Ellipticity 0.1085753E-02 Gb(Abramov) 0.4331198E+00 Vb(Abramov) -0.6398497E+00 Hb(Abramov) -0.2067299E+00 Ex_ueg -0.1154429E+00 Ec_ueg -0.1503506E-01 Delta_ex -0.1103715E+00 Delta_ec 0.1970538E-01 Delta_et -0.2728195E+00 Pxc 0.7678250E+01 Qxc -0.5601083E+01 3,-1 182 3 -1 1.797080 -2.845861 -0.641752 Rho 0.1973197E+00 |GRAD(Rho)| 0.3909780E-13 GRAD(Rho)x 0.2924849E-13 GRAD(Rho)y 0.7053250E-14 GRAD(Rho)z 0.2496828E-13 Laplacian 0.7593209E+00 (-1/4)Del**2(Rho)) -0.1898302E+00 Diamond 0.2108101E+01 Metallicity 0.6069301E+01 Ellipticity 0.8039624E-02 Gb(Abramov) 0.3185763E+00 Vb(Abramov) -0.4473224E+00 Hb(Abramov) -0.1287461E+00 Ex_ueg -0.8484230E-01 Ec_ueg -0.1153885E-01 Delta_ex -0.8712209E-01 Delta_ec 0.1756199E-01 Delta_et -0.2398929E+00 Pxc 0.7352750E+01 Qxc -0.4960833E+01 3,-1 183 3 -1 -2.791209 -0.555745 1.866254 Rho 0.1381802E+00 |GRAD(Rho)| 0.6483424E-13 GRAD(Rho)x 0.1094389E-13 GRAD(Rho)y 0.4160793E-13 GRAD(Rho)z 0.4850248E-13 Laplacian 0.5814248E+00 (-1/4)Del**2(Rho)) -0.1453562E+00 Diamond 0.1073927E+01 Metallicity 0.4377194E+01 Ellipticity 0.1080315E-01 Gb(Abramov) 0.2029462E+00 Vb(Abramov) -0.2605361E+00 Hb(Abramov) -0.5758997E-01 Ex_ueg -0.5276095E-01 Ec_ueg -0.7691222E-02 Delta_ex -0.6126908E-01 Delta_ec 0.1517723E-01 Delta_et -0.1998872E+00 Pxc 0.6859892E+01 Qxc -0.4036907E+01 3,-1 184 3 -1 2.852133 -0.581207 -1.818844 Rho 0.1372133E+00 |GRAD(Rho)| 0.1937657E-12 GRAD(Rho)x -0.1553684E-13 GRAD(Rho)y 0.1255173E-12 GRAD(Rho)z -0.1467963E-12 Laplacian 0.5612158E+00 (-1/4)Del**2(Rho)) -0.1403039E+00 Diamond 0.1012960E+01 Metallicity 0.4482051E+01 Ellipticity 0.1437638E-01 Gb(Abramov) 0.1983442E+00 Vb(Abramov) -0.2563845E+00 Hb(Abramov) -0.5804026E-01 Ex_ueg -0.5226928E-01 Ec_ueg -0.7630073E-02 Delta_ex -0.5887136E-01 Delta_ec 0.1437552E-01 Delta_et -0.1885224E+00 Pxc 0.6850430E+01 Qxc -0.4095251E+01 3,-1 185 3 -1 -1.584533 -2.714892 -2.367334 Rho 0.3556552E-01 |GRAD(Rho)| 0.8217047E-15 GRAD(Rho)x 0.8236260E-16 GRAD(Rho)y 0.8024200E-15 GRAD(Rho)z -0.1566434E-15 Laplacian 0.1021827E+00 (-1/4)Del**2(Rho)) -0.2554567E-01 Diamond 0.4913162E-01 Metallicity 0.2593887E+01 Ellipticity 0.3023696E-01 Gb(Abramov) 0.2807422E-01 Vb(Abramov) -0.3060276E-01 Hb(Abramov) -0.2528540E-02 Ex_ueg -0.8638213E-02 Ec_ueg -0.1634097E-02 Delta_ex -0.8850162E-02 Delta_ec 0.5055438E-02 Delta_et -0.4874619E-01 Pxc 0.5286230E+01 Qxc -0.1750622E+01 3,-1 186 3 -1 -0.601809 -2.770709 1.798179 Rho 0.1528870E+00 |GRAD(Rho)| 0.5901484E-15 GRAD(Rho)x -0.5834634E-15 GRAD(Rho)y -0.8735281E-16 GRAD(Rho)z -0.1466383E-16 Laplacian 0.6435051E+00 (-1/4)Del**2(Rho)) -0.1608763E+00 Diamond 0.1332595E+01 Metallicity 0.4681074E+01 Ellipticity 0.1665384E-01 Gb(Abramov) 0.2327631E+00 Vb(Abramov) -0.3046500E+00 Hb(Abramov) -0.7188687E-01 Ex_ueg -0.6037807E-01 Ec_ueg -0.8628580E-02 Delta_ex -0.6941516E-01 Delta_ec 0.1622087E-01 Delta_et -0.2164296E+00 Pxc 0.6997451E+01 Qxc -0.4279374E+01 3,-1 187 3 -1 0.291020 0.338856 -0.375042 Rho 0.2013541E+00 |GRAD(Rho)| 0.1631257E-15 GRAD(Rho)x -0.7571964E-16 GRAD(Rho)y -0.1419526E-15 GRAD(Rho)z -0.2694440E-16 Laplacian 0.7073999E+00 (-1/4)Del**2(Rho)) -0.1768500E+00 Diamond 0.2264767E+01 Metallicity 0.6738279E+01 Ellipticity 0.8171978E-02 Gb(Abramov) 0.3165107E+00 Vb(Abramov) -0.4561715E+00 Hb(Abramov) -0.1396608E+00 Ex_ueg -0.8716305E-01 Ec_ueg -0.1180868E-01 Delta_ex -0.8328459E-01 Delta_ec 0.1930224E-01 Delta_et -0.2748306E+00 Pxc 0.7381266E+01 Qxc -0.4314762E+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 79 143 139 186 144 166 181 170 126 187 180 87 152 179 88 90 155 85 128 92 153 165 156 169 130 182 129 158 161 83 175 146 103 105 147 163 162 71 132 164 133 107 149 148 108 66 55 57 59 109 150 137 58 111 183 151 64 112 62 98 178 173 131 97 177 172 184 93 102 174 176 120 140 113 171 116 167 134 185 118 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 2.427357 1.956569 1.904826 1.957914 1.915688 1.730390 1.564862 1.544685 1.559855 1.572847 2.384550 1.960724 1.920298 1.950383 1.915436 1.730477 2.468837 1.889285 1.917963 1.976472 1.985062 1.721329 2.522079 1.954287 1.792152 2.108242 1.980645 1.728072 2.553205 1.906772 1.950736 1.911393 1.976407 1.719419 2.423073 1.931616 1.947648 1.933906 1.919736 1.730939 2.387361 1.917538 1.969522 1.899574 1.972951 1.731006 2.408138 1.941429 1.900813 1.991313 1.921549 1.730545 2.447172 1.945115 1.910285 1.953133 1.919160 1.730095 2.504495 1.957304 2.000016 1.850133 1.922346 1.731183 2.567156 1.926148 1.911174 1.982623 1.943783 1.721310 3.317642 3.144587 3.219078 1.008628 1.810189 1.658773 0.999684 1.821009 0.996914 2.428505 1.956933 1.905303 1.958577 1.916326 1.730392 1.564910 1.544806 1.559900 1.572858 2.385918 1.961084 1.920702 1.951021 1.916029 1.730480 2.469881 1.889795 1.918494 1.977275 1.985947 1.721338 2.523052 1.954797 1.792329 2.109091 1.981446 1.728101 2.554189 1.907291 1.951352 1.912121 1.977244 1.719428 2.424197 1.932011 1.948040 1.934479 1.920347 1.730942 2.388818 1.917974 1.969904 1.900183 1.974259 1.731009 2.409534 1.941785 1.901202 1.991936 1.922821 1.730548 2.448280 1.945507 1.910697 1.953744 1.919773 1.730098 2.505608 1.957726 2.000471 1.850575 1.922900 1.731185 2.568070 1.926837 1.912505 1.983462 1.944570 1.721319 3.371696 3.146212 3.222196 1.008736 1.812102 1.662880 0.999796 1.829575 0.997058 28 23 25 28 25 21 22 21 22 21 28 23 23 26 26 20 29 25 23 23 25 21 29 23 22 25 23 22 29 23 23 26 25 21 27 23 26 23 26 21 27 23 23 25 26 22 27 23 26 23 23 21 31 23 23 23 28 20 29 23 27 22 23 21 29 25 23 26 23 21 37 33 35 20 28 24 17 26 24 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 W P W Mo Mo Mo W W W W W 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 2.4879 2.3215 2.4875 2.3745 2.3043 2.3511 2.4882 2.4983 2.5153 2.4879 2.4720 2.3501 -1.0458 -0.9890 -1.0404 -1.0601 -0.9529 -0.9179 -0.9526 -0.9196 -0.7272 -0.9132 -0.9554 -0.9528 -0.9542 -0.9626 -0.9007 -0.8357 -0.9209 -0.9652 -0.8934 -0.9539 -0.9572 -0.9208 -0.9259 -0.7654 -0.8294 -0.9242 -0.9354 -0.9198 -0.7603 -0.6879 -0.7557 -0.6878 -0.7044 -0.6829 -0.7615 -0.7618 -0.7606 -0.7607 -0.7642 0.2992 0.3407 0.3014 2.0905 2.5046 2.0912 1.9440 1.9703 1.9371 2.0883 2.1029 2.0981 2.0881 2.0883 1.9396 1.8948 1.8953 1.8950 1.8928 1.9342 1.9414 1.9336 1.9394 1.8841 1.9416 1.9353 1.9343 1.9340 1.9337 1.9418 1.9719 1.9489 1.9445 1.9494 1.9461 1.9450 1.9495 1.9470 1.8807 1.8820 1.9470 1.9463 1.9484 1.9713 1.9812 1.9715 1.9817 1.9794 1.9828 1.9706 1.9703 1.9701 1.9714 1.9703 0.5549 0.5173 0.5314 6.0948 7.3425 6.0939 6.0607 6.0821 6.0748 6.0936 6.0956 6.0890 6.0933 6.0921 6.0783 5.1117 5.0537 5.1062 5.1274 4.9880 4.9499 4.9892 4.9517 4.8124 4.9440 4.9897 4.9881 4.9899 4.9985 4.9323 4.8324 4.9414 4.9870 4.9159 4.9749 4.9790 4.9415 4.9483 4.8530 4.9153 4.9471 4.9585 4.9404 4.7518 4.6718 4.7469 4.6712 4.6913 4.6647 4.7538 4.7547 4.7536 4.7521 4.7568 0.1460 0.1420 0.1672 3.2975 0.8314 3.2981 3.6208 3.6433 3.6370 3.3006 3.2741 3.2684 3.3013 3.3187 3.6320 0.0392 0.0401 0.0393 0.0399 0.0307 0.0266 0.0299 0.0285 0.0307 0.0276 0.0304 0.0304 0.0303 0.0305 0.0266 0.0314 0.0306 0.0337 0.0282 0.0329 0.0332 0.0297 0.0306 0.0317 0.0321 0.0301 0.0305 0.0310 0.0372 0.0349 0.0372 0.0349 0.0338 0.0353 0.0371 0.0369 0.0369 0.0372 0.0371 0.0000 0.0000 0.0000 14.0294 0.0000 14.0294 0.0000 0.0000 0.0000 14.0293 14.0292 14.0292 14.0293 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 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 W P W Mo Mo Mo W W W W W 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 2.522970 2.003868 2.527620 3.184502 3.156492 3.184780 2.522126 2.534149 2.540351 2.520695 2.512492 3.178295 -1.063651 -0.986296 -1.085195 -1.075821 -0.944775 -1.177998 -0.949247 -1.063435 -0.719963 -1.068136 -0.937863 -0.945720 -0.945745 -0.944385 -1.176536 -0.892208 -1.002446 -0.922110 -1.150940 -0.926356 -0.929630 -1.032451 -1.033567 -0.589978 -0.557574 -1.030968 -1.038609 -1.025957 -0.786590 -0.957137 -0.781390 -0.954125 -0.975696 -0.947801 -0.788850 -0.789512 -0.788548 -0.786919 -0.791614 0.062882 0.065285 0.049234 1.949207 1.553696 1.958511 2.377487 2.344755 2.382604 1.947444 1.948563 1.954970 1.948207 1.962595 2.354566 -0.811493 -0.726753 -0.850611 -0.814688 -0.704052 -0.913097 -0.704075 -0.809772 -0.792199 -0.818919 -0.691528 -0.711193 -0.705438 -0.704690 -0.907872 -0.724451 -0.830533 -0.756979 -0.915851 -0.753800 -0.747848 -0.814079 -0.839808 -0.733574 -0.743207 -0.839193 -0.839303 -0.830178 -0.674558 -0.701529 -0.664824 -0.718306 -0.738343 -0.705429 -0.677324 -0.670983 -0.671160 -0.674081 -0.672134 0.338157 0.297167 0.285926 2.047402 1.530257 2.054886 2.462170 2.416953 2.466747 2.044866 2.069122 2.085256 2.048997 2.059825 2.457666 -0.839711 -0.813238 -0.872395 -0.851389 -0.781854 -0.988838 -0.782518 -0.888342 -0.849743 -0.893340 -0.776293 -0.781800 -0.785059 -0.808023 -0.976982 -0.798454 -0.861766 -0.809713 -0.965196 -0.793558 -0.784001 -0.871459 -0.879026 -0.788084 -0.801772 -0.875170 -0.890158 -0.872085 -0.638171 -0.679360 -0.626380 -0.679973 -0.707201 -0.664368 -0.643007 -0.656395 -0.670330 -0.637978 -0.638803 0.469258 0.349051 0.359478 2.54552780 -1.09164672 -2.27804390 3.58620807 -12.76813245 2.65132785 -4.92117560 11.25875325 16.85579172 1.50937920 -377.0214 403.1059 -84.2287 -376.0791 -18.7195 -452.9429 May06-2024 12:50:08 Nodes: 1 Procs: 1 May06-2024 12:50:08 Nodes: 1 Procs: 1 0 May06-2024 12:50:09 Nodes: 1 Procs: 1 May06-2024 12:50:09 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May06-2024 12:50:10 Nodes: 1 Procs: 1 May06-2024 12:50:10 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May06-2024 12:50:11 Nodes: 1 Procs: 1 May06-2024 12:50:11 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May06-2024 12:50:12 Nodes: 1 Procs: 1 May06-2024 12:50:13 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 May06-2024 12:50:15 Nodes: 1 Procs: 24 *** (NO TITLE) *** -4 -15.98868582 -16.44569434 -16.06599336 -16.46033921 -16.59173344 -16.61688247 -16.62849030 -16.63019427 -16.63530965 -16.63755565 -16.63940296 -16.64163288 -16.64402136 -16.64441494 -16.64492456 -16.64508434 -16.64516943 -16.64521770 -16.64525622 -16.64529708 -16.64531235 -16.64532735 -16.64533693 -16.64533767 -16.64534126 -16.64534457 -16.64534638 GEOMETRY CONVERGED