ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 18:10:24 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.02 0.40 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 18:10:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.03 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 0 Apr01-2024 18:10:25 Nodes: 1 Procs: 1 Apr01-2024 18:10:25 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 18:10:26 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 0.80 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 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 0 Apr01-2024 18:10:25 Nodes: 1 Procs: 1 Apr01-2024 18:10:25 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr01-2024 18:10:26 Nodes: 1 Procs: 1 Apr01-2024 18:10:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 18:10:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 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 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 0 Apr01-2024 18:10:25 Nodes: 1 Procs: 1 Apr01-2024 18:10:25 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr01-2024 18:10:26 Nodes: 1 Procs: 1 Apr01-2024 18:10:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr01-2024 18:10:27 Nodes: 1 Procs: 1 Apr01-2024 18:10:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 18:10:28 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) 1.32 0.04 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 0 Apr01-2024 18:10:25 Nodes: 1 Procs: 1 Apr01-2024 18:10:25 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr01-2024 18:10:26 Nodes: 1 Procs: 1 Apr01-2024 18:10:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr01-2024 18:10:27 Nodes: 1 Procs: 1 Apr01-2024 18:10:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr01-2024 18:10:28 Nodes: 1 Procs: 1 Apr01-2024 18:10:29 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr01-2024 18:10:31 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2501.3903610000034 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258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 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 -7.054 -6.991 -6.952 -6.920 -6.880 -6.847 -6.833 -6.789 -6.626 -6.572 -4.090 -4.002 -3.622 -3.453 -3.326 -3.243 -3.194 -3.137 -3.026 -2.955 A A A A A A A A A A A A A A A A A A A A 0.00000000068103 0.00045353458899 0.00031965132964 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 42 42 15 74 74 74 74 74 74 74 74 74 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 0.080803 -2.584841 2.533985 -2.564987 -0.094309 -2.592615 -0.059745 -0.025887 -0.008660 0.115199 2.498629 -2.513799 -0.088287 2.544415 2.537598 2.470790 -2.588261 0.002326 2.554652 2.529325 -0.069775 -2.569709 2.493763 0.125513 -2.612018 -2.468291 -0.099827 -2.524827 0.097512 2.618724 2.535986 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3.749096 0.216092 -3.764730 3.705647 -0.182758 -3.820451 -3.666259 0.220529 -3.784360 0.322778 -3.730981 -3.728702 -0.174611 3.829801 3.723195 0.154782 3.767569 -1.576112 -2.367694 -2.838125 -0.539395 -3.323991 -1.277201 1.132689 -1.964904 -2.429351 1 3 -3 0.080803 -2.584841 2.533985 Rho 0.1240649E+06 3,-3 2 3 -3 -2.564987 -0.094309 -2.592615 Rho 0.1240648E+06 3,-3 3 3 -3 -0.059745 -0.025887 -0.008660 Rho 0.2439523E+04 3,-3 4 3 -3 0.115199 2.498629 -2.513799 Rho 0.4361414E+07 3,-3 5 3 -3 -0.088287 2.544415 2.537598 Rho 0.4361414E+07 3,-3 6 3 -3 2.470790 -2.588261 0.002326 Rho 0.4361415E+07 3,-3 7 3 -3 2.554652 2.529325 -0.069775 Rho 0.4361414E+07 3,-3 8 3 -3 -2.569709 2.493763 0.125513 Rho 0.4361414E+07 3,-3 9 3 -3 -2.612018 -2.468291 -0.099827 Rho 0.4361414E+07 3,-3 10 3 -3 -2.524827 0.097512 2.618724 Rho 0.4361414E+07 3,-3 11 3 -3 2.535986 -0.155625 2.547546 Rho 0.4361414E+07 3,-3 12 3 -3 2.609049 0.073222 -2.560845 Rho 0.4361415E+07 3,-3 13 3 -3 0.872069 -0.916916 0.874218 Rho 0.3187834E+03 3,-3 14 3 -3 -1.019567 -0.873526 -0.857842 Rho 0.3187897E+03 3,-3 15 3 -3 0.856236 0.871546 -0.910194 Rho 0.3187738E+03 3,-3 16 3 -3 -0.895280 0.909615 0.943631 Rho 0.3187661E+03 3,-3 17 3 -3 -3.045052 -1.149602 1.237145 Rho 0.3188766E+03 3,-3 18 3 -3 3.086700 -1.148547 -1.152321 Rho 0.3188560E+03 3,-3 19 3 -3 -3.042043 1.136451 -1.143819 Rho 0.3189465E+03 3,-3 20 3 -3 3.008578 1.189613 1.196549 Rho 0.3188697E+03 3,-3 21 3 -3 1.347961 -1.246739 -3.106097 Rho 0.3187478E+03 3,-3 22 3 -3 1.149015 1.184638 3.004970 Rho 0.3188835E+03 3,-3 23 3 -3 -1.165312 1.098606 -3.044897 Rho 0.3189625E+03 3,-3 24 3 -3 -1.182948 -1.152887 3.076944 Rho 0.3189445E+03 3,-3 25 3 -3 -1.184540 2.948442 -1.184375 Rho 0.3188768E+03 3,-3 26 3 -3 -1.201625 -2.990496 1.193709 Rho 0.3189631E+03 3,-3 27 3 -3 1.147559 3.047903 1.144746 Rho 0.3188738E+03 3,-3 28 3 -3 1.186814 -3.050796 -1.175081 Rho 0.3191385E+03 3,-3 29 3 -3 3.349846 -1.482808 1.515376 Rho 0.3190054E+03 3,-3 30 3 -3 -3.481100 -1.493744 -1.457262 Rho 0.3190273E+03 3,-3 31 3 -3 3.384359 1.506924 -1.466662 Rho 0.3189620E+03 3,-3 32 3 -3 -3.400818 1.489175 1.534287 Rho 0.3189627E+03 3,-3 33 3 -3 1.448794 -1.474791 3.416311 Rho 0.3190181E+03 3,-3 34 3 -3 1.506189 1.442106 -3.380580 Rho 0.3189568E+03 3,-3 35 3 -3 -1.511591 1.540840 3.414328 Rho 0.3189593E+03 3,-3 36 3 -3 -1.822074 -1.628263 -3.472662 Rho 0.3188426E+03 3,-3 37 3 -3 -1.526257 -3.442683 -1.419462 Rho 0.3187232E+03 3,-3 38 3 -3 -1.503234 3.383313 1.475294 Rho 0.3189651E+03 3,-3 39 3 -3 1.502308 -3.386464 1.528874 Rho 0.3190261E+03 3,-3 40 3 -3 1.493541 3.362637 -1.503226 Rho 0.3189648E+03 3,-3 41 3 -3 -0.216963 -3.775748 3.737807 Rho 0.3195113E+03 3,-3 42 3 -3 3.865186 -0.115646 -3.735154 Rho 0.3193580E+03 3,-3 43 3 -3 -0.186437 3.685125 -3.734586 Rho 0.3193761E+03 3,-3 44 3 -3 0.206552 3.766536 3.726255 Rho 0.3193642E+03 3,-3 45 3 -3 3.715349 -3.779309 -0.219669 Rho 0.3193319E+03 3,-3 46 3 -3 3.744944 3.749096 0.216092 Rho 0.3193723E+03 3,-3 47 3 -3 -3.764730 3.705647 -0.182758 Rho 0.3193684E+03 3,-3 48 3 -3 -3.820451 -3.666259 0.220529 Rho 0.3193629E+03 3,-3 49 3 -3 -3.784360 0.322778 -3.730981 Rho 0.3195119E+03 3,-3 50 3 -3 -3.728702 -0.174611 3.829801 Rho 0.3193689E+03 3,-3 51 3 -3 3.723195 0.154782 3.767569 Rho 0.3193621E+03 3,-3 52 3 -3 -1.576112 -2.367694 -2.838125 Rho 0.4336150E+00 3,-3 53 3 -3 -0.539395 -3.323991 -1.277201 Rho 0.4324782E+00 3,-3 54 3 -3 1.132689 -1.964904 -2.429351 Rho 0.4258281E+00 3,-3 55 3 +1 -2.120427 1.110200 1.296552 Rho 0.2536475E-01 |GRAD(Rho)| 0.6602876E-15 GRAD(Rho)x -0.5730856E-15 GRAD(Rho)y 0.1377673E-15 GRAD(Rho)z 0.2976120E-15 Laplacian 0.9944815E-01 (-1/4)Del**2(Rho)) -0.2486204E-01 Diamond 0.1376650E-01 Metallicity 0.1517286E+01 Ellipticity -0.4712304E+01 Gb(Abramov) 0.2286183E-01 Vb(Abramov) -0.2086162E-01 Hb(Abramov) 0.2000207E-02 Ex_ueg -0.5504180E-02 Ec_ueg -0.1107097E-02 Delta_ex -0.6262153E-02 Delta_ec 0.1782241E-02 Delta_et -0.1576697E-01 Pxc 0.4971725E+01 Qxc -0.3513639E+01 3,+1 56 3 +1 -1.730301 0.584443 -0.461027 Rho 0.9341102E-02 |GRAD(Rho)| 0.1945929E-14 GRAD(Rho)x 0.1359121E-14 GRAD(Rho)y -0.1343372E-14 GRAD(Rho)z 0.3671243E-15 Laplacian 0.3908449E-01 (-1/4)Del**2(Rho)) -0.9771122E-02 Diamond 0.1220248E-02 Metallicity 0.7304753E+00 Ellipticity -0.1446881E+01 Gb(Abramov) 0.7703675E-02 Vb(Abramov) -0.5636229E-02 Hb(Abramov) 0.2067447E-02 Ex_ueg -0.1452945E-02 Ec_ueg -0.3382598E-03 Delta_ex -0.1843404E-02 Delta_ec 0.5856406E-03 Delta_et -0.4060384E-02 Pxc 0.4295352E+01 Qxc -0.3147671E+01 3,+1 57 3 -1 -2.994598 1.947137 0.875861 Rho 0.1510683E+00 |GRAD(Rho)| 0.3862591E-15 GRAD(Rho)x -0.1755188E-15 GRAD(Rho)y -0.1746650E-15 GRAD(Rho)z 0.2964480E-15 Laplacian 0.5994200E+00 (-1/4)Del**2(Rho)) -0.1498550E+00 Diamond 0.1229678E+01 Metallicity 0.4926110E+01 Ellipticity 0.3947785E-01 Gb(Abramov) 0.2229370E+00 Vb(Abramov) -0.2960191E+00 Hb(Abramov) -0.7308203E-01 Ex_ueg -0.5942230E-01 Ec_ueg -0.8511935E-02 Delta_ex -0.6452945E-01 Delta_ec 0.1526210E-01 Delta_et -0.2035555E+00 Pxc 0.6981057E+01 Qxc -0.4228085E+01 3,-1 58 3 +3 -2.418602 0.057490 0.108000 Rho 0.4608340E-02 |GRAD(Rho)| 0.4640481E-13 GRAD(Rho)x 0.1866496E-14 GRAD(Rho)y -0.1100557E-13 GRAD(Rho)z -0.4504221E-13 Laplacian 0.1924281E-01 (-1/4)Del**2(Rho)) -0.4810702E-02 Diamond 0.1842837E-03 Metallicity 0.4570028E+00 Ellipticity -0.2164656E+00 Gb(Abramov) 0.3573552E-02 Vb(Abramov) -0.2336402E-02 Hb(Abramov) 0.1237150E-02 Ex_ueg -0.5663841E-03 Ec_ueg -0.1300972E-03 Delta_ex -0.7163400E-03 Delta_ec 0.2032468E-03 Delta_et -0.1241207E-02 Pxc 0.4353546E+01 Qxc -0.3524484E+01 3,+3 59 3 -1 -3.216570 3.149847 -0.040821 Rho 0.2491471E+00 |GRAD(Rho)| 0.1579781E-14 GRAD(Rho)x -0.1105127E-14 GRAD(Rho)y 0.1086587E-14 GRAD(Rho)z -0.3061516E-15 Laplacian 0.9035821E+00 (-1/4)Del**2(Rho)) -0.2258955E+00 Diamond 0.3335425E+01 Metallicity 0.7523246E+01 Ellipticity 0.2457917E-02 Gb(Abramov) 0.4338416E+00 Vb(Abramov) -0.6417877E+00 Hb(Abramov) -0.2079461E+00 Ex_ueg -0.1157869E+00 Ec_ueg -0.1507372E-01 Delta_ex -0.1102073E+00 Delta_ec 0.1967116E-01 Delta_et -0.2724618E+00 Pxc 0.7681379E+01 Qxc -0.5602482E+01 3,-1 60 3 -1 -2.168983 -0.917638 -3.026471 Rho 0.1457677E+00 |GRAD(Rho)| 0.2376745E-15 GRAD(Rho)x 0.8017675E-16 GRAD(Rho)y 0.2057816E-15 GRAD(Rho)z 0.8783393E-16 Laplacian 0.5479023E+00 (-1/4)Del**2(Rho)) -0.1369756E+00 Diamond 0.1086508E+01 Metallicity 0.5077841E+01 Ellipticity 0.1328942E+00 Gb(Abramov) 0.2072404E+00 Vb(Abramov) -0.2775053E+00 Hb(Abramov) -0.7026484E-01 Ex_ueg -0.5665875E-01 Ec_ueg -0.8173141E-02 Delta_ex -0.5856965E-01 Delta_ec 0.1425355E-01 Delta_et -0.1895359E+00 Pxc 0.6932310E+01 Qxc -0.4109128E+01 3,-1 61 3 +1 -2.209933 -0.988420 -1.342758 Rho 0.2509354E-01 |GRAD(Rho)| 0.3352807E-16 GRAD(Rho)x 0.3085483E-16 GRAD(Rho)y 0.6961001E-17 GRAD(Rho)z 0.1112003E-16 Laplacian 0.9941288E-01 (-1/4)Del**2(Rho)) -0.2485322E-01 Diamond 0.1210802E-01 Metallicity 0.1490872E+01 Ellipticity -0.2579000E+01 Gb(Abramov) 0.2274431E-01 Vb(Abramov) -0.2063540E-01 Hb(Abramov) 0.2108910E-02 Ex_ueg -0.5425849E-02 Ec_ueg -0.1093425E-02 Delta_ex -0.6085251E-02 Delta_ec 0.1501523E-02 Delta_et -0.1330885E-01 Pxc 0.4962250E+01 Qxc -0.4052719E+01 3,+1 62 3 +3 -1.127346 -1.093164 1.176658 Rho 0.5021769E-02 |GRAD(Rho)| 0.6000045E-14 GRAD(Rho)x -0.3058397E-14 GRAD(Rho)y 0.3822127E-14 GRAD(Rho)z -0.3469596E-14 Laplacian 0.2057656E-01 (-1/4)Del**2(Rho)) -0.5144139E-02 Diamond 0.1529166E-03 Metallicity 0.4931757E+00 Ellipticity -0.8588348E-01 Gb(Abramov) 0.3852254E-02 Vb(Abramov) -0.2560368E-02 Hb(Abramov) 0.1291886E-02 Ex_ueg -0.6351272E-03 Ec_ueg -0.1478497E-03 Delta_ex -0.7194873E-03 Delta_ec 0.1044311E-03 Delta_et -0.7875248E-03 Pxc 0.4295762E+01 Qxc -0.6889585E+01 3,+3 63 3 +1 -1.772308 -1.742348 1.809919 Rho 0.1224900E-01 |GRAD(Rho)| 0.1933500E-12 GRAD(Rho)x -0.1651417E-12 GRAD(Rho)y 0.7628244E-13 GRAD(Rho)z -0.6552405E-13 Laplacian 0.6158706E-01 (-1/4)Del**2(Rho)) -0.1539676E-01 Diamond 0.2530560E-02 Metallicity 0.7282684E+00 Ellipticity -0.1252863E+01 Gb(Abramov) 0.1213334E-01 Vb(Abramov) -0.8869914E-02 Hb(Abramov) 0.3263425E-02 Ex_ueg -0.2085383E-02 Ec_ueg -0.4710759E-03 Delta_ex -0.3041554E-02 Delta_ec 0.7955088E-03 Delta_et -0.5997956E-02 Pxc 0.4426852E+01 Qxc -0.3823407E+01 3,+1 64 3 -1 -1.761734 -0.470055 -1.687719 Rho 0.3882138E-01 |GRAD(Rho)| 0.9464397E-16 GRAD(Rho)x 0.8418745E-16 GRAD(Rho)y -0.3456646E-16 GRAD(Rho)z 0.2598295E-16 Laplacian 0.1592912E+00 (-1/4)Del**2(Rho)) -0.3982279E-01 Diamond 0.5959079E-01 Metallicity 0.1925483E+01 Ellipticity 0.1903924E-01 Gb(Abramov) 0.3932822E-01 Vb(Abramov) -0.3883364E-01 Hb(Abramov) 0.4945763E-03 Ex_ueg -0.9708372E-02 Ec_ueg -0.1806985E-02 Delta_ex -0.1245133E-01 Delta_ec 0.5007784E-02 Delta_et -0.4939236E-01 Pxc 0.5372691E+01 Qxc -0.2486395E+01 3,-1 65 3 +1 1.108174 -2.129753 1.230786 Rho 0.2448133E-01 |GRAD(Rho)| 0.7506557E-15 GRAD(Rho)x -0.1172766E-15 GRAD(Rho)y -0.6157556E-15 GRAD(Rho)z 0.4130076E-15 Laplacian 0.9869582E-01 (-1/4)Del**2(Rho)) -0.2467396E-01 Diamond 0.1407489E-01 Metallicity 0.1441140E+01 Ellipticity -0.8289145E+01 Gb(Abramov) 0.2237574E-01 Vb(Abramov) -0.2007753E-01 Hb(Abramov) 0.2298215E-02 Ex_ueg -0.5250070E-02 Ec_ueg -0.1062636E-02 Delta_ex -0.6275389E-02 Delta_ec 0.1980628E-02 Delta_et -0.1731839E-01 Pxc 0.4940612E+01 Qxc -0.3168384E+01 3,+1 66 3 +1 -1.732705 -0.490107 0.626374 Rho 0.9064692E-02 |GRAD(Rho)| 0.1861796E-14 GRAD(Rho)x 0.1379540E-14 GRAD(Rho)y 0.8149707E-15 GRAD(Rho)z -0.9481431E-15 Laplacian 0.3782018E-01 (-1/4)Del**2(Rho)) -0.9455045E-02 Diamond 0.1131621E-02 Metallicity 0.7180335E+00 Ellipticity -0.1436209E+01 Gb(Abramov) 0.7434870E-02 Vb(Abramov) -0.5414694E-02 Hb(Abramov) 0.2020175E-02 Ex_ueg -0.1395905E-02 Ec_ueg -0.3258194E-03 Delta_ex -0.1769574E-02 Delta_ec 0.5653537E-03 Delta_et -0.3890226E-02 Pxc 0.4284291E+01 Qxc -0.3130030E+01 3,+1 67 3 -1 -1.804638 -0.572086 2.845259 Rho 0.1588731E+00 |GRAD(Rho)| 0.4418923E-15 GRAD(Rho)x -0.3340969E-15 GRAD(Rho)y 0.1920664E-15 GRAD(Rho)z -0.2162373E-15 Laplacian 0.6645108E+00 (-1/4)Del**2(Rho)) -0.1661277E+00 Diamond 0.1438142E+01 Metallicity 0.4832758E+01 Ellipticity 0.2178210E-01 Gb(Abramov) 0.2445610E+00 Vb(Abramov) -0.3229942E+00 Hb(Abramov) -0.7843325E-01 Ex_ueg -0.6355048E-01 Ec_ueg -0.9013918E-02 Delta_ex -0.7233783E-01 Delta_ec 0.1654137E-01 Delta_et -0.2217069E+00 Pxc 0.7050262E+01 Qxc -0.4373145E+01 3,-1 68 3 +1 0.085751 -2.932427 0.115074 Rho 0.4841907E-02 |GRAD(Rho)| 0.5976958E-17 GRAD(Rho)x 0.4404783E-17 GRAD(Rho)y -0.5514184E-18 GRAD(Rho)z -0.4002231E-17 Laplacian 0.1965664E-01 (-1/4)Del**2(Rho)) -0.4914161E-02 Diamond 0.4196235E-03 Metallicity 0.4858078E+00 Ellipticity -0.2348168E+01 Gb(Abramov) 0.3673997E-02 Vb(Abramov) -0.2433833E-02 Hb(Abramov) 0.1240164E-02 Ex_ueg -0.6049790E-03 Ec_ueg -0.1401158E-03 Delta_ex -0.9524857E-03 Delta_ec 0.5854094E-03 Delta_et -0.3162342E-02 Pxc 0.4317708E+01 Qxc -0.1627042E+01 3,+1 69 3 +1 -0.278783 -0.525654 -3.016481 Rho 0.3085785E-02 |GRAD(Rho)| 0.3641983E-17 GRAD(Rho)x 0.2026738E-17 GRAD(Rho)y -0.2520135E-17 GRAD(Rho)z 0.1674902E-17 Laplacian 0.1225117E-01 (-1/4)Del**2(Rho)) -0.3062792E-02 Diamond 0.1216294E-03 Metallicity 0.3678846E+00 Ellipticity -0.1408387E+01 Gb(Abramov) 0.2229654E-02 Vb(Abramov) -0.1396515E-02 Hb(Abramov) 0.8331384E-03 Ex_ueg -0.3317971E-03 Ec_ueg -0.6548990E-04 Delta_ex -0.5076758E-03 Delta_ec 0.2979515E-03 Delta_et -0.1435231E-02 Pxc 0.5066385E+01 Qxc -0.1703887E+01 3,+1 70 3 +1 -0.540887 -0.564850 1.717423 Rho 0.8250361E-02 |GRAD(Rho)| 0.9243125E-17 GRAD(Rho)x 0.5095917E-17 GRAD(Rho)y 0.7411464E-17 GRAD(Rho)z -0.2130069E-17 Laplacian 0.3398457E-01 (-1/4)Del**2(Rho)) -0.8496142E-02 Diamond 0.9115201E-03 Metallicity 0.6830508E+00 Ellipticity -0.1432171E+01 Gb(Abramov) 0.6631311E-02 Vb(Abramov) -0.4766480E-02 Hb(Abramov) 0.1864831E-02 Ex_ueg -0.1231258E-02 Ec_ueg -0.2893636E-03 Delta_ex -0.1561139E-02 Delta_ec 0.5224757E-03 Delta_et -0.3496736E-02 Pxc 0.4255055E+01 Qxc -0.2987966E+01 3,+1 71 3 +1 -0.143675 -2.164654 -1.051096 Rho 0.7386261E-02 |GRAD(Rho)| 0.2776646E-14 GRAD(Rho)x -0.1211488E-14 GRAD(Rho)y -0.2447661E-14 GRAD(Rho)z -0.5010166E-15 Laplacian 0.2968684E-01 (-1/4)Del**2(Rho)) -0.7421709E-02 Diamond 0.9686145E-03 Metallicity 0.6502648E+00 Ellipticity -0.2173318E+01 Gb(Abramov) 0.5752152E-02 Vb(Abramov) -0.4082595E-02 Hb(Abramov) 0.1669557E-02 Ex_ueg -0.1062391E-02 Ec_ueg -0.2510058E-03 Delta_ex -0.1483473E-02 Delta_ec 0.7358138E-03 Delta_et -0.4566049E-02 Pxc 0.4232538E+01 Qxc -0.2016098E+01 3,+1 72 3 -1 -0.599300 -2.779065 1.821603 Rho 0.1459562E+00 |GRAD(Rho)| 0.4807529E-15 GRAD(Rho)x 0.3567161E-15 GRAD(Rho)y 0.9970255E-16 GRAD(Rho)z 0.3064904E-15 Laplacian 0.6129755E+00 (-1/4)Del**2(Rho)) -0.1532439E+00 Diamond 0.1182671E+01 Metallicity 0.4548562E+01 Ellipticity 0.2765656E-01 Gb(Abramov) 0.2183358E+00 Vb(Abramov) -0.2834277E+00 Hb(Abramov) -0.6509193E-01 Ex_ueg -0.5675642E-01 Ec_ueg -0.8185155E-02 Delta_ex -0.6518732E-01 Delta_ec 0.1530009E-01 Delta_et -0.2020951E+00 Pxc 0.6934068E+01 Qxc -0.4260584E+01 3,-1 73 3 +3 -0.071860 -2.346269 -0.079645 Rho 0.4114922E-02 |GRAD(Rho)| 0.1289052E-16 GRAD(Rho)x 0.1587340E-17 GRAD(Rho)y 0.1026403E-16 GRAD(Rho)z 0.7635155E-17 Laplacian 0.1688293E-01 (-1/4)Del**2(Rho)) -0.4220733E-02 Diamond 0.1240796E-03 Metallicity 0.4312886E+00 Ellipticity -0.3113646E+00 Gb(Abramov) 0.3117214E-02 Vb(Abramov) -0.2013696E-02 Hb(Abramov) 0.1103519E-02 Ex_ueg -0.4870055E-03 Ec_ueg -0.1090254E-03 Delta_ex -0.5934157E-03 Delta_ec 0.1469196E-03 Delta_et -0.9106283E-03 Pxc 0.4466899E+01 Qxc -0.4039051E+01 3,+3 74 3 -1 0.098590 -1.950805 -0.991014 Rho 0.7600167E-02 |GRAD(Rho)| 0.1028266E-15 GRAD(Rho)x 0.4709503E-16 GRAD(Rho)y 0.2101679E-16 GRAD(Rho)z 0.8895879E-16 Laplacian 0.2985069E-01 (-1/4)Del**2(Rho)) -0.7462672E-02 Diamond 0.1393086E-02 Metallicity 0.6782097E+00 Ellipticity 0.9533475E+00 Gb(Abramov) 0.5818658E-02 Vb(Abramov) -0.4174643E-02 Hb(Abramov) 0.1644015E-02 Ex_ueg -0.1103611E-02 Ec_ueg -0.2604693E-03 Delta_ex -0.1703388E-02 Delta_ec 0.1101116E-02 Delta_et -0.6717049E-02 Pxc 0.4237008E+01 Qxc -0.1546965E+01 3,-1 75 3 +1 -1.542261 -1.839971 -1.857913 Rho 0.1066963E-01 |GRAD(Rho)| 0.1213833E-11 GRAD(Rho)x 0.5727861E-12 GRAD(Rho)y -0.7354647E-12 GRAD(Rho)z 0.7774302E-12 Laplacian 0.4868936E-01 (-1/4)Del**2(Rho)) -0.1217234E-01 Diamond 0.1541572E-02 Metallicity 0.7318599E+00 Ellipticity -0.1182068E+01 Gb(Abramov) 0.9599634E-02 Vb(Abramov) -0.7026929E-02 Hb(Abramov) 0.2572705E-02 Ex_ueg -0.1734805E-02 Ec_ueg -0.3985080E-03 Delta_ex -0.2280270E-02 Delta_ec 0.5600034E-03 Delta_et -0.4138037E-02 Pxc 0.4353251E+01 Qxc -0.4071886E+01 3,+1 76 3 +1 -0.591525 -1.669477 0.565052 Rho 0.8972476E-02 |GRAD(Rho)| 0.3117141E-15 GRAD(Rho)x 0.2064524E-15 GRAD(Rho)y -0.5841408E-16 GRAD(Rho)z 0.2261214E-15 Laplacian 0.3741890E-01 (-1/4)Del**2(Rho)) -0.9354726E-02 Diamond 0.1135492E-02 Metallicity 0.7134703E+00 Ellipticity -0.1464377E+01 Gb(Abramov) 0.7348871E-02 Vb(Abramov) -0.5343015E-02 Hb(Abramov) 0.2005855E-02 Ex_ueg -0.1377003E-02 Ec_ueg -0.3216764E-03 Delta_ex -0.1759658E-02 Delta_ec 0.5832035E-03 Delta_et -0.3984390E-02 Pxc 0.4280708E+01 Qxc -0.3017228E+01 3,+1 77 3 -1 -0.582338 -1.825041 2.802893 Rho 0.1176297E+00 |GRAD(Rho)| 0.1553757E-14 GRAD(Rho)x 0.9546061E-15 GRAD(Rho)y -0.1177837E-14 GRAD(Rho)z -0.3399855E-15 Laplacian 0.4917059E+00 (-1/4)Del**2(Rho)) -0.1229265E+00 Diamond 0.7390697E+00 Metallicity 0.3957638E+01 Ellipticity 0.3409725E-02 Gb(Abramov) 0.1630341E+00 Vb(Abramov) -0.2031417E+00 Hb(Abramov) -0.4010760E-01 Ex_ueg -0.4256713E-01 Ec_ueg -0.6404854E-02 Delta_ex -0.4972170E-01 Delta_ec 0.1310394E-01 Delta_et -0.1676434E+00 Pxc 0.6646075E+01 Qxc -0.3794408E+01 3,-1 78 3 -1 0.466792 -1.719123 1.673620 Rho 0.3655199E-01 |GRAD(Rho)| 0.1231073E-15 GRAD(Rho)x 0.7109190E-16 GRAD(Rho)y 0.8058851E-16 GRAD(Rho)z -0.6005697E-16 Laplacian 0.1498013E+00 (-1/4)Del**2(Rho)) -0.3745031E-01 Diamond 0.5069489E-01 Metallicity 0.1851894E+01 Ellipticity 0.8005169E-02 Gb(Abramov) 0.3652588E-01 Vb(Abramov) -0.3560144E-01 Hb(Abramov) 0.9244371E-03 Ex_ueg -0.8959142E-02 Ec_ueg -0.1686261E-02 Delta_ex -0.1147723E-01 Delta_ec 0.4601022E-02 Delta_et -0.4462959E-01 Pxc 0.5313022E+01 Qxc -0.2494497E+01 3,-1 79 3 +1 0.547469 0.498359 1.687714 Rho 0.8614339E-02 |GRAD(Rho)| 0.1395275E-16 GRAD(Rho)x 0.1090316E-16 GRAD(Rho)y 0.1963230E-17 GRAD(Rho)z 0.8482097E-17 Laplacian 0.3621086E-01 (-1/4)Del**2(Rho)) -0.9052716E-02 Diamond 0.1017203E-02 Metallicity 0.6888810E+00 Ellipticity -0.1415345E+01 Gb(Abramov) 0.7074518E-02 Vb(Abramov) -0.5096320E-02 Hb(Abramov) 0.1978198E-02 Ex_ueg -0.1304210E-02 Ec_ueg -0.3056217E-03 Delta_ex -0.1675610E-02 Delta_ec 0.5464306E-03 Delta_et -0.3706478E-02 Pxc 0.4267401E+01 Qxc -0.3066465E+01 3,+1 80 3 -1 0.037704 -3.222914 -1.244841 Rho 0.3846812E-01 |GRAD(Rho)| 0.5560314E-13 GRAD(Rho)x -0.3583985E-13 GRAD(Rho)y 0.4118575E-13 GRAD(Rho)z -0.1053319E-13 Laplacian 0.1132147E+00 (-1/4)Del**2(Rho)) -0.2830368E-01 Diamond 0.6394709E-01 Metallicity 0.2668160E+01 Ellipticity 0.3653976E-02 Gb(Abramov) 0.3145558E-01 Vb(Abramov) -0.3460748E-01 Hb(Abramov) -0.3151897E-02 Ex_ueg -0.9590760E-02 Ec_ueg -0.1788128E-02 Delta_ex -0.1018205E-01 Delta_ec 0.5973521E-02 Delta_et -0.5897446E-01 Pxc 0.5363575E+01 Qxc -0.1704531E+01 3,-1 81 3 -1 -0.077909 -3.221793 3.178049 Rho 0.2384367E+00 |GRAD(Rho)| 0.7162898E-14 GRAD(Rho)x -0.4771831E-14 GRAD(Rho)y -0.5335250E-14 GRAD(Rho)z -0.2680148E-15 Laplacian 0.8476853E+00 (-1/4)Del**2(Rho)) -0.2119213E+00 Diamond 0.2993071E+01 Metallicity 0.7453046E+01 Ellipticity 0.2425705E-02 Gb(Abramov) 0.4045241E+00 Vb(Abramov) -0.5971269E+00 Hb(Abramov) -0.1926028E+00 Ex_ueg -0.1091983E+00 Ec_ueg -0.1433112E-01 Delta_ex -0.1023426E+00 Delta_ec 0.1894007E-01 Delta_et -0.2630714E+00 Pxc 0.7619666E+01 Qxc -0.5403495E+01 3,-1 82 3 +3 -0.257699 -0.538455 -2.650611 Rho 0.2981716E-02 |GRAD(Rho)| 0.2208883E-17 GRAD(Rho)x 0.1382781E-18 GRAD(Rho)y -0.1081449E-17 GRAD(Rho)z 0.1921071E-17 Laplacian 0.1189774E-01 (-1/4)Del**2(Rho)) -0.2974434E-02 Diamond 0.8453679E-04 Metallicity 0.3577606E+00 Ellipticity -0.5936235E+00 Gb(Abramov) 0.2160312E-02 Vb(Abramov) -0.1346190E-02 Hb(Abramov) 0.8141222E-03 Ex_ueg -0.3169616E-03 Ec_ueg -0.6111936E-04 Delta_ex -0.4374408E-03 Delta_ec 0.1959911E-03 Delta_et -0.9847410E-03 Pxc 0.5185945E+01 Qxc -0.2231942E+01 3,+3 83 3 -1 0.260128 -1.126940 -1.852260 Rho 0.5515779E-02 |GRAD(Rho)| 0.1830014E-16 GRAD(Rho)x 0.1249967E-16 GRAD(Rho)y -0.2427596E-17 GRAD(Rho)z -0.1314383E-16 Laplacian 0.2218897E-01 (-1/4)Del**2(Rho)) -0.5547241E-02 Diamond 0.7074633E-03 Metallicity 0.5347543E+00 Ellipticity 0.6581767E+00 Gb(Abramov) 0.4192563E-02 Vb(Abramov) -0.2837884E-02 Hb(Abramov) 0.1354679E-02 Ex_ueg -0.7197708E-03 Ec_ueg -0.1691760E-03 Delta_ex -0.1219769E-02 Delta_ec 0.8688685E-03 Delta_et -0.4791769E-02 Pxc 0.4254569E+01 Qxc -0.1403859E+01 3,-1 84 3 +1 0.431270 -0.811519 -1.764827 Rho 0.5325170E-02 |GRAD(Rho)| 0.1615504E-15 GRAD(Rho)x 0.4541452E-16 GRAD(Rho)y 0.1296909E-15 GRAD(Rho)z 0.8494893E-16 Laplacian 0.2188922E-01 (-1/4)Del**2(Rho)) -0.5472304E-02 Diamond 0.4844772E-03 Metallicity 0.5112172E+00 Ellipticity -0.1924919E+01 Gb(Abramov) 0.4114459E-02 Vb(Abramov) -0.2756613E-02 Hb(Abramov) 0.1357845E-02 Ex_ueg -0.6867991E-03 Ec_ueg -0.1609329E-03 Delta_ex -0.1040974E-02 Delta_ec 0.5808839E-03 Delta_et -0.3258404E-02 Pxc 0.4267611E+01 Qxc -0.1792053E+01 3,+1 85 3 +1 0.371352 -1.751479 -0.684260 Rho 0.7126591E-02 |GRAD(Rho)| 0.8219583E-17 GRAD(Rho)x 0.2805373E-17 GRAD(Rho)y 0.2436067E-17 GRAD(Rho)z 0.7331917E-17 Laplacian 0.2905842E-01 (-1/4)Del**2(Rho)) -0.7264604E-02 Diamond 0.8474768E-03 Metallicity 0.6258607E+00 Ellipticity -0.1864580E+01 Gb(Abramov) 0.5600841E-02 Vb(Abramov) -0.3937078E-02 Hb(Abramov) 0.1663763E-02 Ex_ueg -0.1012887E-02 Ec_ueg -0.2395461E-03 Delta_ex -0.1408375E-02 Delta_ec 0.6624754E-03 Delta_et -0.4096624E-02 Pxc 0.4228357E+01 Qxc -0.2125928E+01 3,+1 86 3 -1 0.316966 -0.385990 0.349040 Rho 0.2002295E+00 |GRAD(Rho)| 0.6439142E-15 GRAD(Rho)x -0.4649537E-15 GRAD(Rho)y 0.3802875E-15 GRAD(Rho)z -0.2320022E-15 Laplacian 0.6964669E+00 (-1/4)Del**2(Rho)) -0.1741167E+00 Diamond 0.2220892E+01 Metallicity 0.6780465E+01 Ellipticity 0.3427691E-02 Gb(Abramov) 0.3128432E+00 Vb(Abramov) -0.4515697E+00 Hb(Abramov) -0.1387265E+00 Ex_ueg -0.8651455E-01 Ec_ueg -0.1173338E-01 Delta_ex -0.8192475E-01 Delta_ec 0.1910459E-01 Delta_et -0.2720394E+00 Pxc 0.7373373E+01 Qxc -0.4288223E+01 3,-1 87 3 +1 -1.192670 2.118836 1.190748 Rho 0.2676151E-01 |GRAD(Rho)| 0.3953828E-16 GRAD(Rho)x 0.1546100E-17 GRAD(Rho)y -0.3744377E-16 GRAD(Rho)z -0.1260353E-16 Laplacian 0.1084724E+00 (-1/4)Del**2(Rho)) -0.2711810E-01 Diamond 0.1684228E-01 Metallicity 0.1521055E+01 Ellipticity -0.6579754E+01 Gb(Abramov) 0.2495342E-01 Vb(Abramov) -0.2278874E-01 Hb(Abramov) 0.2164678E-02 Ex_ueg -0.5911975E-02 Ec_ueg -0.1177806E-02 Delta_ex -0.6995528E-02 Delta_ec 0.2063950E-02 Delta_et -0.1848247E-01 Pxc 0.5019481E+01 Qxc -0.3389389E+01 3,+1 88 3 +1 0.094071 -0.100700 2.950825 Rho 0.5023882E-02 |GRAD(Rho)| 0.3378111E-15 GRAD(Rho)x 0.2398804E-15 GRAD(Rho)y -0.2305150E-15 GRAD(Rho)z -0.5862209E-16 Laplacian 0.2066793E-01 (-1/4)Del**2(Rho)) -0.5166982E-02 Diamond 0.4914336E-03 Metallicity 0.4913398E+00 Ellipticity -0.3097230E+01 Gb(Abramov) 0.3867778E-02 Vb(Abramov) -0.2568575E-02 Hb(Abramov) 0.1299203E-02 Ex_ueg -0.6354834E-03 Ec_ueg -0.1479407E-03 Delta_ex -0.1034401E-02 Delta_ec 0.6612927E-03 Delta_et -0.3592284E-02 Pxc 0.4295529E+01 Qxc -0.1564211E+01 3,+1 89 3 +3 0.944563 -1.130539 -1.236412 Rho 0.4179679E-02 |GRAD(Rho)| 0.8037826E-17 GRAD(Rho)x 0.4092863E-17 GRAD(Rho)y -0.6749159E-17 GRAD(Rho)z -0.1517883E-17 Laplacian 0.1715091E-01 (-1/4)Del**2(Rho)) -0.4287728E-02 Diamond 0.1352755E-03 Metallicity 0.4357434E+00 Ellipticity -0.5623765E+00 Gb(Abramov) 0.3169877E-02 Vb(Abramov) -0.2052026E-02 Hb(Abramov) 0.1117851E-02 Ex_ueg -0.4972509E-03 Ec_ueg -0.1117837E-03 Delta_ex -0.6129415E-03 Delta_ec 0.1629962E-03 Delta_et -0.9936090E-03 Pxc 0.4448333E+01 Qxc -0.3760465E+01 3,+3 90 3 +3 0.027545 -0.052487 2.362950 Rho 0.4367282E-02 |GRAD(Rho)| 0.1129690E-15 GRAD(Rho)x -0.4099138E-16 GRAD(Rho)y 0.5644749E-16 GRAD(Rho)z -0.8885598E-16 Laplacian 0.1807078E-01 (-1/4)Del**2(Rho)) -0.4517696E-02 Diamond 0.1530437E-03 Metallicity 0.4449606E+00 Ellipticity -0.3189800E+00 Gb(Abramov) 0.3346830E-02 Vb(Abramov) -0.2175964E-02 Hb(Abramov) 0.1170866E-02 Ex_ueg -0.5272299E-03 Ec_ueg -0.1197868E-03 Delta_ex -0.6549944E-03 Delta_ec 0.1752551E-03 Delta_et -0.1075055E-02 Pxc 0.4401402E+01 Qxc -0.3737377E+01 3,+3 91 3 +1 1.695134 -0.541474 -0.558171 Rho 0.8034129E-02 |GRAD(Rho)| 0.1032439E-16 GRAD(Rho)x 0.8717663E-17 GRAD(Rho)y -0.5517573E-17 GRAD(Rho)z -0.3896352E-18 Laplacian 0.3316259E-01 (-1/4)Del**2(Rho)) -0.8290647E-02 Diamond 0.8442875E-03 Metallicity 0.6696729E+00 Ellipticity -0.1403321E+01 Gb(Abramov) 0.6452435E-02 Vb(Abramov) -0.4614223E-02 Hb(Abramov) 0.1838212E-02 Ex_ueg -0.1188420E-02 Ec_ueg -0.2797330E-03 Delta_ex -0.1506661E-02 Delta_ec 0.4978342E-03 Delta_et -0.3317671E-02 Pxc 0.4248409E+01 Qxc -0.3026432E+01 3,+1 92 3 +1 1.890729 -1.784286 -1.743521 Rho 0.1450060E-01 |GRAD(Rho)| 0.9860935E-17 GRAD(Rho)x 0.7426785E-17 GRAD(Rho)y 0.6125742E-17 GRAD(Rho)z -0.2134523E-17 Laplacian 0.6894541E-01 (-1/4)Del**2(Rho)) -0.1723635E-01 Diamond 0.3578868E-02 Metallicity 0.8618220E+00 Ellipticity -0.1383654E+01 Gb(Abramov) 0.1396668E-01 Vb(Abramov) -0.1069701E-01 Hb(Abramov) 0.3269673E-02 Ex_ueg -0.2611557E-02 Ec_ueg -0.5762017E-03 Delta_ex -0.3562879E-02 Delta_ec 0.8933295E-03 Delta_et -0.7013825E-02 Pxc 0.4532366E+01 Qxc -0.3988315E+01 3,+1 93 3 +3 -1.146711 1.078147 -1.133297 Rho 0.5157766E-02 |GRAD(Rho)| 0.3054232E-17 GRAD(Rho)x 0.2064574E-17 GRAD(Rho)y -0.1435569E-17 GRAD(Rho)z 0.1733496E-17 Laplacian 0.2140918E-01 (-1/4)Del**2(Rho)) -0.5352295E-02 Diamond 0.1669410E-03 Metallicity 0.4955823E+00 Ellipticity -0.2060110E+00 Gb(Abramov) 0.4010280E-02 Vb(Abramov) -0.2668266E-02 Hb(Abramov) 0.1342015E-02 Ex_ueg -0.6581636E-03 Ec_ueg -0.1537084E-03 Delta_ex -0.7558250E-03 Delta_ec 0.1116974E-03 Delta_et -0.8388917E-03 Pxc 0.4281897E+01 Qxc -0.6766719E+01 3,+3 94 3 -1 1.775422 -2.830099 -0.627742 Rho 0.2051332E+00 |GRAD(Rho)| 0.4388784E-15 GRAD(Rho)x -0.3599551E-16 GRAD(Rho)y 0.3997724E-15 GRAD(Rho)z 0.1774839E-15 Laplacian 0.7994542E+00 (-1/4)Del**2(Rho)) -0.1998636E+00 Diamond 0.2327744E+01 Metallicity 0.6150062E+01 Ellipticity 0.2728274E-02 Gb(Abramov) 0.3381046E+00 Vb(Abramov) -0.4763456E+00 Hb(Abramov) -0.1382410E+00 Ex_ueg -0.8935105E-01 Ec_ueg -0.1206227E-01 Delta_ex -0.9265825E-01 Delta_ec 0.1831808E-01 Delta_et -0.2510343E+00 Pxc 0.7407485E+01 Qxc -0.5058293E+01 3,-1 95 3 -1 1.948900 -2.992162 0.813965 Rho 0.1310049E+00 |GRAD(Rho)| 0.1727358E-15 GRAD(Rho)x 0.3367803E-16 GRAD(Rho)y -0.4151139E-16 GRAD(Rho)z -0.1642566E-15 Laplacian 0.5156269E+00 (-1/4)Del**2(Rho)) -0.1289067E+00 Diamond 0.9011364E+00 Metallicity 0.4516030E+01 Ellipticity 0.1889652E-01 Gb(Abramov) 0.1829622E+00 Vb(Abramov) -0.2370178E+00 Hb(Abramov) -0.5405552E-01 Ex_ueg -0.4913999E-01 Ec_ueg -0.7238882E-02 Delta_ex -0.5373298E-01 Delta_ec 0.1380023E-01 Delta_et -0.1805320E+00 Pxc 0.6788340E+01 Qxc -0.3893629E+01 3,-1 96 3 -1 1.170451 -2.309845 -2.007393 Rho 0.4986664E-01 |GRAD(Rho)| 0.9505595E-15 GRAD(Rho)x 0.3481959E-15 GRAD(Rho)y 0.6590123E-15 GRAD(Rho)z 0.5899370E-15 Laplacian 0.1293774E+00 (-1/4)Del**2(Rho)) -0.3234436E-01 Diamond 0.1035703E+00 Metallicity 0.3598362E+01 Ellipticity 0.1420897E-01 Gb(Abramov) 0.4096069E-01 Vb(Abramov) -0.4957702E-01 Hb(Abramov) -0.8616331E-02 Ex_ueg -0.1355601E-01 Ec_ueg -0.2407504E-02 Delta_ex -0.1229551E-01 Delta_ec 0.6806820E-02 Delta_et -0.7255970E-01 Pxc 0.5630733E+01 Qxc -0.1806352E+01 3,-1 97 3 -1 1.639188 -1.716496 0.430585 Rho 0.3936943E-01 |GRAD(Rho)| 0.6750450E-12 GRAD(Rho)x 0.4879615E-12 GRAD(Rho)y 0.4657893E-12 GRAD(Rho)z 0.2489042E-13 Laplacian 0.1532648E+00 (-1/4)Del**2(Rho)) -0.3831620E-01 Diamond 0.5560646E-01 Metallicity 0.2048500E+01 Ellipticity 0.1475843E-01 Gb(Abramov) 0.3862592E-01 Vb(Abramov) -0.3893565E-01 Hb(Abramov) -0.3097250E-03 Ex_ueg -0.9891541E-02 Ec_ueg -0.1836286E-02 Delta_ex -0.1185349E-01 Delta_ec 0.4518155E-02 Delta_et -0.4470467E-01 Pxc 0.5386711E+01 Qxc -0.2623525E+01 3,-1 98 3 +1 1.972247 -2.013073 2.024156 Rho 0.1237792E-01 |GRAD(Rho)| 0.2751839E-12 GRAD(Rho)x -0.8094525E-13 GRAD(Rho)y -0.2510601E-12 GRAD(Rho)z -0.7837651E-13 Laplacian 0.5806914E-01 (-1/4)Del**2(Rho)) -0.1451728E-01 Diamond 0.2065880E-02 Metallicity 0.7859842E+00 Ellipticity -0.1190550E+01 Gb(Abramov) 0.1157992E-01 Vb(Abramov) -0.8642547E-02 Hb(Abramov) 0.2937369E-02 Ex_ueg -0.2114699E-02 Ec_ueg -0.4770431E-03 Delta_ex -0.2777434E-02 Delta_ec 0.5744981E-03 Delta_et -0.4475947E-02 Pxc 0.4432931E+01 Qxc -0.4834539E+01 3,+1 99 3 +1 2.004234 1.970999 -1.996838 Rho 0.1256566E-01 |GRAD(Rho)| 0.2219824E-16 GRAD(Rho)x 0.1179111E-16 GRAD(Rho)y -0.1851441E-16 GRAD(Rho)z -0.3308818E-17 Laplacian 0.5937569E-01 (-1/4)Del**2(Rho)) -0.1484392E-01 Diamond 0.2115837E-02 Metallicity 0.7882183E+00 Ellipticity -0.1167469E+01 Gb(Abramov) 0.1184599E-01 Vb(Abramov) -0.8848057E-02 Hb(Abramov) 0.2997932E-02 Ex_ueg -0.2157572E-02 Ec_ueg -0.4857443E-03 Delta_ex -0.2840571E-02 Delta_ec 0.5676112E-03 Delta_et -0.4456382E-02 Pxc 0.4441786E+01 Qxc -0.5004430E+01 3,+1 100 3 +1 2.093141 1.096403 -1.244612 Rho 0.2333686E-01 |GRAD(Rho)| 0.1895703E-15 GRAD(Rho)x 0.1591851E-15 GRAD(Rho)y 0.8176541E-16 GRAD(Rho)z -0.6254146E-16 Laplacian 0.9207371E-01 (-1/4)Del**2(Rho)) -0.2301843E-01 Diamond 0.1192518E-01 Metallicity 0.1426313E+01 Ellipticity -0.5675213E+01 Gb(Abramov) 0.2081753E-01 Vb(Abramov) -0.1861664E-01 Hb(Abramov) 0.2200894E-02 Ex_ueg -0.4925402E-02 Ec_ueg -0.1005348E-02 Delta_ex -0.5738040E-02 Delta_ec 0.1768905E-02 Delta_et -0.1529479E-01 Pxc 0.4899202E+01 Qxc -0.3243837E+01 3,+1 101 3 +1 1.669814 0.538475 0.540078 Rho 0.7985765E-02 |GRAD(Rho)| 0.5286192E-16 GRAD(Rho)x -0.8549436E-17 GRAD(Rho)y 0.5216389E-16 GRAD(Rho)z 0.4672958E-18 Laplacian 0.3291714E-01 (-1/4)Del**2(Rho)) -0.8229284E-02 Diamond 0.8434651E-03 Metallicity 0.6679111E+00 Ellipticity -0.1418320E+01 Gb(Abramov) 0.6402261E-02 Vb(Abramov) -0.4575238E-02 Hb(Abramov) 0.1827023E-02 Ex_ueg -0.1178891E-02 Ec_ueg -0.2775819E-03 Delta_ex -0.1499376E-02 Delta_ec 0.5050558E-03 Delta_et -0.3351982E-02 Pxc 0.4247004E+01 Qxc -0.2968733E+01 3,+1 102 3 +3 1.099443 1.094618 1.084559 Rho 0.4753864E-02 |GRAD(Rho)| 0.2648671E-14 GRAD(Rho)x -0.2391713E-14 GRAD(Rho)y -0.3427847E-15 GRAD(Rho)z -0.1085202E-14 Laplacian 0.1961093E-01 (-1/4)Del**2(Rho)) -0.4902733E-02 Diamond 0.1389761E-03 Metallicity 0.4722727E+00 Ellipticity -0.1296254E+00 Gb(Abramov) 0.3654393E-02 Vb(Abramov) -0.2406053E-02 Hb(Abramov) 0.1248340E-02 Ex_ueg -0.5903561E-03 Ec_ueg -0.1363360E-03 Delta_ex -0.6792269E-03 Delta_ec 0.1061993E-03 Delta_et -0.7758871E-03 Pxc 0.4330156E+01 Qxc -0.6395773E+01 3,+3 103 3 +1 1.740591 1.782108 1.753551 Rho 0.1245252E-01 |GRAD(Rho)| 0.2150249E-15 GRAD(Rho)x -0.1842992E-15 GRAD(Rho)y 0.8269300E-16 GRAD(Rho)z 0.7369785E-16 Laplacian 0.6258074E-01 (-1/4)Del**2(Rho)) -0.1564518E-01 Diamond 0.2617533E-02 Metallicity 0.7366616E+00 Ellipticity -0.1256725E+01 Gb(Abramov) 0.1235099E-01 Vb(Abramov) -0.9056797E-02 Hb(Abramov) 0.3294194E-02 Ex_ueg -0.2131710E-02 Ec_ueg -0.4804991E-03 Delta_ex -0.3100649E-02 Delta_ec 0.8021262E-03 Delta_et -0.6076871E-02 Pxc 0.4436450E+01 Qxc -0.3865538E+01 3,+1 104 3 +3 1.835433 1.792709 -1.818391 Rho 0.1220969E-01 |GRAD(Rho)| 0.1592318E-13 GRAD(Rho)x -0.7555123E-14 GRAD(Rho)y -0.1104119E-13 GRAD(Rho)z 0.8634810E-14 Laplacian 0.5568588E-01 (-1/4)Del**2(Rho)) -0.1392147E-01 Diamond 0.1205942E-02 Metallicity 0.8011413E+00 Ellipticity -0.6459955E+00 Gb(Abramov) 0.1113983E-01 Vb(Abramov) -0.8358179E-02 Hb(Abramov) 0.2781646E-02 Ex_ueg -0.2076465E-02 Ec_ueg -0.4692577E-03 Delta_ex -0.2445050E-02 Delta_ec 0.1787846E-03 Delta_et -0.1760441E-02 Pxc 0.4424999E+01 Qxc -0.1367595E+02 3,+3 105 3 -1 1.670640 1.668874 -0.482785 Rho 0.3573668E-01 |GRAD(Rho)| 0.5153128E-16 GRAD(Rho)x -0.4817807E-16 GRAD(Rho)y -0.1072386E-16 GRAD(Rho)z -0.1481032E-16 Laplacian 0.1368185E+00 (-1/4)Del**2(Rho)) -0.3420463E-01 Diamond 0.4266871E-01 Metallicity 0.1952803E+01 Ellipticity 0.1188675E-01 Gb(Abramov) 0.3393558E-01 Vb(Abramov) -0.3366652E-01 Hb(Abramov) 0.2690579E-03 Ex_ueg -0.8693686E-02 Ec_ueg -0.1643134E-02 Delta_ex -0.1027424E-01 Delta_ec 0.3933728E-02 Delta_et -0.3790983E-01 Pxc 0.5290917E+01 Qxc -0.2611833E+01 3,-1 106 3 -1 3.199340 3.189974 0.084651 Rho 0.2502778E+00 |GRAD(Rho)| 0.1504700E-10 GRAD(Rho)x -0.1035876E-10 GRAD(Rho)y -0.1062807E-10 GRAD(Rho)z -0.2480398E-11 Laplacian 0.8978859E+00 (-1/4)Del**2(Rho)) -0.2244715E+00 Diamond 0.3340863E+01 Metallicity 0.7628324E+01 Ellipticity 0.1242792E-02 Gb(Abramov) 0.4350378E+00 Vb(Abramov) -0.6456042E+00 Hb(Abramov) -0.2105664E+00 Ex_ueg -0.1164881E+00 Ec_ueg -0.1515248E-01 Delta_ex -0.1096848E+00 Delta_ec 0.1959535E-01 Delta_et -0.2717887E+00 Pxc 0.7687724E+01 Qxc -0.5597489E+01 3,-1 107 3 +1 0.529098 1.693677 0.517108 Rho 0.8354079E-02 |GRAD(Rho)| 0.4456557E-12 GRAD(Rho)x 0.4010191E-12 GRAD(Rho)y -0.1665987E-12 GRAD(Rho)z 0.1001874E-12 Laplacian 0.3480415E-01 (-1/4)Del**2(Rho)) -0.8701036E-02 Diamond 0.9320148E-03 Metallicity 0.6809990E+00 Ellipticity -0.1406512E+01 Gb(Abramov) 0.6788257E-02 Vb(Abramov) -0.4875478E-02 Hb(Abramov) 0.1912779E-02 Ex_ueg -0.1251939E-02 Ec_ueg -0.2939904E-03 Delta_ex -0.1595564E-02 Delta_ec 0.5204505E-03 Delta_et -0.3505634E-02 Pxc 0.4258435E+01 Qxc -0.3065737E+01 3,+1 108 3 -1 -3.058047 -1.937797 -0.827333 Rho 0.1654693E+00 |GRAD(Rho)| 0.1091074E-12 GRAD(Rho)x 0.4449502E-13 GRAD(Rho)y 0.8701164E-13 GRAD(Rho)z -0.4851385E-13 Laplacian 0.6614188E+00 (-1/4)Del**2(Rho)) -0.1653547E+00 Diamond 0.1506634E+01 Metallicity 0.5195959E+01 Ellipticity 0.7329335E-01 Gb(Abramov) 0.2534325E+00 Vb(Abramov) -0.3415103E+00 Hb(Abramov) -0.8807780E-01 Ex_ueg -0.6709265E-01 Ec_ueg -0.9441017E-02 Delta_ex -0.7276369E-01 Delta_ec 0.1634937E-01 Delta_et -0.2203876E+00 Pxc 0.7106507E+01 Qxc -0.4450550E+01 3,-1 109 3 +1 -2.213643 -2.140536 -2.018718 Rho 0.1305700E-01 |GRAD(Rho)| 0.2117841E-16 GRAD(Rho)x -0.6486913E-17 GRAD(Rho)y 0.1044825E-16 GRAD(Rho)z -0.1724179E-16 Laplacian 0.5879665E-01 (-1/4)Del**2(Rho)) -0.1469916E-01 Diamond 0.2517819E-02 Metallicity 0.8485277E+00 Ellipticity -0.1351673E+01 Gb(Abramov) 0.1187822E-01 Vb(Abramov) -0.9057270E-02 Hb(Abramov) 0.2820946E-02 Ex_ueg -0.2270785E-02 Ec_ueg -0.5085809E-03 Delta_ex -0.2922475E-02 Delta_ec 0.7043814E-03 Delta_et -0.5434460E-02 Pxc 0.4464944E+01 Qxc -0.4148995E+01 3,+1 110 3 -1 -2.825054 -1.763125 0.613546 Rho 0.1441184E+00 |GRAD(Rho)| 0.3222220E-15 GRAD(Rho)x 0.7758822E-17 GRAD(Rho)y 0.1551087E-15 GRAD(Rho)z 0.2823262E-15 Laplacian 0.6063902E+00 (-1/4)Del**2(Rho)) -0.1515976E+00 Diamond 0.1175714E+01 Metallicity 0.4501876E+01 Ellipticity 0.1171818E-01 Gb(Abramov) 0.2148106E+00 Vb(Abramov) -0.2780236E+00 Hb(Abramov) -0.6321304E-01 Ex_ueg -0.5580560E-01 Ec_ueg -0.8068078E-02 Delta_ex -0.6453249E-01 Delta_ec 0.1562285E-01 Delta_et -0.2069728E+00 Pxc 0.6916839E+01 Qxc -0.4130647E+01 3,-1 111 3 -1 -1.776823 -1.632281 -0.463335 Rho 0.4846720E-01 |GRAD(Rho)| 0.3829187E-16 GRAD(Rho)x 0.3459198E-16 GRAD(Rho)y -0.3440224E-17 GRAD(Rho)z -0.1605699E-16 Laplacian 0.1948109E+00 (-1/4)Del**2(Rho)) -0.4870273E-01 Diamond 0.9455504E-01 Metallicity 0.2279011E+01 Ellipticity 0.8584536E-02 Gb(Abramov) 0.5096750E-01 Vb(Abramov) -0.5323227E-01 Hb(Abramov) -0.2264768E-02 Ex_ueg -0.1305116E-01 Ec_ueg -0.2330323E-02 Delta_ex -0.1590548E-01 Delta_ec 0.5797348E-02 Delta_et -0.6063348E-01 Pxc 0.5600578E+01 Qxc -0.2743579E+01 3,-1 112 3 -1 -3.026204 -0.827627 -1.981596 Rho 0.1117012E+00 |GRAD(Rho)| 0.1533263E-15 GRAD(Rho)x 0.2350008E-16 GRAD(Rho)y -0.9108654E-16 GRAD(Rho)z -0.1210783E-15 Laplacian 0.4251994E+00 (-1/4)Del**2(Rho)) -0.1062998E+00 Diamond 0.6067869E+00 Metallicity 0.4198721E+01 Ellipticity 0.2525468E-02 Gb(Abramov) 0.1452538E+00 Vb(Abramov) -0.1842077E+00 Hb(Abramov) -0.3895394E-01 Ex_ueg -0.3973094E-01 Ec_ueg -0.6039164E-02 Delta_ex -0.4256362E-01 Delta_ec 0.1163220E-01 Delta_et -0.1476872E+00 Pxc 0.6578881E+01 Qxc -0.3659119E+01 3,-1 113 3 -1 -2.012776 -2.970050 -0.786561 Rho 0.1380991E+00 |GRAD(Rho)| 0.2523027E-13 GRAD(Rho)x -0.1671169E-13 GRAD(Rho)y 0.1067959E-13 GRAD(Rho)z 0.1559591E-13 Laplacian 0.5084119E+00 (-1/4)Del**2(Rho)) -0.1271030E+00 Diamond 0.9564460E+00 Metallicity 0.5000911E+01 Ellipticity 0.9752011E-01 Gb(Abramov) 0.1906738E+00 Vb(Abramov) -0.2542445E+00 Hb(Abramov) -0.6357078E-01 Ex_ueg -0.5271972E-01 Ec_ueg -0.7686096E-02 Delta_ex -0.5376818E-01 Delta_ec 0.1363144E-01 Delta_et -0.1802379E+00 Pxc 0.6859101E+01 Qxc -0.3944425E+01 3,-1 114 3 -1 -1.858622 -2.728904 0.585212 Rho 0.1253010E+00 |GRAD(Rho)| 0.7178707E-15 GRAD(Rho)x -0.5175032E-15 GRAD(Rho)y 0.5347827E-16 GRAD(Rho)z -0.4946401E-15 Laplacian 0.5269006E+00 (-1/4)Del**2(Rho)) -0.1317252E+00 Diamond 0.8679498E+00 Metallicity 0.4103380E+01 Ellipticity 0.1827014E-01 Gb(Abramov) 0.1779032E+00 Vb(Abramov) -0.2240812E+00 Hb(Abramov) -0.4617801E-01 Ex_ueg -0.4630816E-01 Ec_ueg -0.6881716E-02 Delta_ex -0.5426313E-01 Delta_ec 0.1413945E-01 Delta_et -0.1833938E+00 Pxc 0.6729159E+01 Qxc -0.3837712E+01 3,-1 115 3 -1 -1.989863 2.949449 0.843040 Rho 0.1448884E+00 |GRAD(Rho)| 0.2557808E-15 GRAD(Rho)x 0.1381816E-15 GRAD(Rho)y 0.2664427E-16 GRAD(Rho)z 0.2135878E-15 Laplacian 0.5762290E+00 (-1/4)Del**2(Rho)) -0.1440573E+00 Diamond 0.1122803E+01 Metallicity 0.4779775E+01 Ellipticity 0.3521580E-01 Gb(Abramov) 0.2107984E+00 Vb(Abramov) -0.2775395E+00 Hb(Abramov) -0.6674113E-01 Ex_ueg -0.5620349E-01 Ec_ueg -0.8117106E-02 Delta_ex -0.6138584E-01 Delta_ec 0.1479649E-01 Delta_et -0.1961131E+00 Pxc 0.6924080E+01 Qxc -0.4148677E+01 3,-1 116 3 +1 -0.308702 -1.243672 -2.499242 Rho 0.3567178E-02 |GRAD(Rho)| 0.2318070E-16 GRAD(Rho)x -0.2048592E-16 GRAD(Rho)y 0.1200669E-17 GRAD(Rho)z 0.1078104E-16 Laplacian 0.1425096E-01 (-1/4)Del**2(Rho)) -0.3562739E-02 Diamond 0.1404662E-03 Metallicity 0.4026959E+00 Ellipticity -0.1276610E+01 Gb(Abramov) 0.2614276E-02 Vb(Abramov) -0.1665813E-02 Hb(Abramov) 0.9484630E-03 Ex_ueg -0.4025484E-03 Ec_ueg -0.8578353E-04 Delta_ex -0.5619777E-03 Delta_ec 0.2648630E-03 Delta_et -0.1375371E-02 Pxc 0.4692608E+01 Qxc -0.2121768E+01 3,+1 117 3 -1 -0.453644 -0.368264 -0.351122 Rho 0.2114010E+00 |GRAD(Rho)| 0.1130249E-12 GRAD(Rho)x 0.7203518E-13 GRAD(Rho)y 0.6202801E-13 GRAD(Rho)z 0.6113988E-13 Laplacian 0.8159847E+00 (-1/4)Del**2(Rho)) -0.2039962E+00 Diamond 0.2724501E+01 Metallicity 0.6335430E+01 Ellipticity 0.2798679E-01 Gb(Abramov) 0.3513980E+00 Vb(Abramov) -0.4987999E+00 Hb(Abramov) -0.1474019E+00 Ex_ueg -0.9300958E-01 Ec_ueg -0.1248459E-01 Delta_ex -0.9695506E-01 Delta_ec 0.2147856E-01 Delta_et -0.3060424E+00 Pxc 0.7449950E+01 Qxc -0.4514038E+01 3,-1 118 3 +1 -0.592971 0.513058 -1.683435 Rho 0.8740312E-02 |GRAD(Rho)| 0.2100624E-16 GRAD(Rho)x 0.1401919E-16 GRAD(Rho)y -0.1337293E-16 GRAD(Rho)z 0.8117209E-17 Laplacian 0.3716386E-01 (-1/4)Del**2(Rho)) -0.9290965E-02 Diamond 0.1097135E-02 Metallicity 0.6876549E+00 Ellipticity -0.1440372E+01 Gb(Abramov) 0.7258806E-02 Vb(Abramov) -0.5226648E-02 Hb(Abramov) 0.2032159E-02 Ex_ueg -0.1329702E-02 Ec_ueg -0.3112624E-03 Delta_ex -0.1740218E-02 Delta_ec 0.5862548E-03 Delta_et -0.3972559E-02 Pxc 0.4271964E+01 Qxc -0.2968365E+01 3,+1 119 3 +1 -1.231534 1.155788 2.153348 Rho 0.2583667E-01 |GRAD(Rho)| 0.6299542E-16 GRAD(Rho)x -0.5066180E-17 GRAD(Rho)y 0.2283514E-16 GRAD(Rho)z 0.5849200E-16 Laplacian 0.1031549E+00 (-1/4)Del**2(Rho)) -0.2578872E-01 Diamond 0.1500095E-01 Metallicity 0.1508404E+01 Ellipticity -0.5475981E+01 Gb(Abramov) 0.2367578E-01 Vb(Abramov) -0.2156284E-01 Hb(Abramov) 0.2112939E-02 Ex_ueg -0.5641143E-02 Ec_ueg -0.1130931E-02 Delta_ex -0.6564265E-02 Delta_ec 0.1914490E-02 Delta_et -0.1700166E-01 Pxc 0.4988053E+01 Qxc -0.3428728E+01 3,+1 120 3 +1 -0.578556 1.644236 -0.518214 Rho 0.9161821E-02 |GRAD(Rho)| 0.1249657E-16 GRAD(Rho)x -0.9190968E-17 GRAD(Rho)y 0.8080070E-17 GRAD(Rho)z 0.2530401E-17 Laplacian 0.3843582E-01 (-1/4)Del**2(Rho)) -0.9608954E-02 Diamond 0.1170236E-02 Metallicity 0.7191951E+00 Ellipticity -0.1436892E+01 Gb(Abramov) 0.7557755E-02 Vb(Abramov) -0.5506556E-02 Hb(Abramov) 0.2051199E-02 Ex_ueg -0.1415883E-02 Ec_ueg -0.3301871E-03 Delta_ex -0.1804607E-02 Delta_ec 0.5770475E-03 Delta_et -0.3979851E-02 Pxc 0.4288124E+01 Qxc -0.3127312E+01 3,+1 121 3 +3 -0.012789 2.336690 0.006422 Rho 0.4498586E-02 |GRAD(Rho)| 0.2256470E-15 GRAD(Rho)x 0.1308547E-15 GRAD(Rho)y -0.1753562E-15 GRAD(Rho)z -0.5517063E-16 Laplacian 0.1872212E-01 (-1/4)Del**2(Rho)) -0.4680530E-02 Diamond 0.1686644E-03 Metallicity 0.4512165E+00 Ellipticity -0.2609916E+00 Gb(Abramov) 0.3472342E-02 Vb(Abramov) -0.2264154E-02 Hb(Abramov) 0.1208188E-02 Ex_ueg -0.5484703E-03 Ec_ueg -0.1253992E-03 Delta_ex -0.6875600E-03 Delta_ec 0.1884532E-03 Delta_et -0.1155282E-02 Pxc 0.4373796E+01 Qxc -0.3648440E+01 3,+3 122 3 -1 -0.577896 2.721259 -1.800855 Rho 0.1495080E+00 |GRAD(Rho)| 0.3202209E-15 GRAD(Rho)x -0.1730387E-15 GRAD(Rho)y -0.9888601E-16 GRAD(Rho)z -0.2506404E-15 Laplacian 0.6329460E+00 (-1/4)Del**2(Rho)) -0.1582365E+00 Diamond 0.1274799E+01 Metallicity 0.4585154E+01 Ellipticity 0.1433504E-01 Gb(Abramov) 0.2264141E+00 Vb(Abramov) -0.2945917E+00 Hb(Abramov) -0.6817761E-01 Ex_ueg -0.5860540E-01 Ec_ueg -0.8412027E-02 Delta_ex -0.6788942E-01 Delta_ec 0.1602213E-01 Delta_et -0.2130732E+00 Pxc 0.6966859E+01 Qxc -0.4237227E+01 3,-1 123 3 +1 1.305209 2.081679 -1.039613 Rho 0.2485834E-01 |GRAD(Rho)| 0.1062070E-16 GRAD(Rho)x 0.5058985E-17 GRAD(Rho)y 0.8955046E-17 GRAD(Rho)z -0.2648244E-17 Laplacian 0.9586916E-01 (-1/4)Del**2(Rho)) -0.2396729E-01 Diamond 0.1209848E-01 Metallicity 0.1521905E+01 Ellipticity -0.3349663E+01 Gb(Abramov) 0.2205752E-01 Vb(Abramov) -0.2014775E-01 Hb(Abramov) 0.1909772E-02 Ex_ueg -0.5358145E-02 Ec_ueg -0.1081584E-02 Delta_ex -0.5916027E-02 Delta_ec 0.1559920E-02 Delta_et -0.1376636E-01 Pxc 0.4953978E+01 Qxc -0.3792518E+01 3,+1 124 3 +1 -0.099678 2.895471 0.066443 Rho 0.5100707E-02 |GRAD(Rho)| 0.1115594E-16 GRAD(Rho)x 0.9854321E-17 GRAD(Rho)y 0.2514877E-18 GRAD(Rho)z 0.5223417E-17 Laplacian 0.2095546E-01 (-1/4)Del**2(Rho)) -0.5238864E-02 Diamond 0.5312688E-03 Metallicity 0.4970117E+00 Ellipticity -0.5380242E+01 Gb(Abramov) 0.3926539E-02 Vb(Abramov) -0.2614214E-02 Hb(Abramov) 0.1312325E-02 Ex_ueg -0.6484734E-03 Ec_ueg -0.1512492E-03 Delta_ex -0.1072407E-02 Delta_ec 0.7071856E-03 Delta_et -0.3844589E-02 Pxc 0.4287451E+01 Qxc -0.1516443E+01 3,+1 125 3 -1 -1.698484 1.666825 0.524614 Rho 0.4219421E-01 |GRAD(Rho)| 0.1530453E-12 GRAD(Rho)x 0.1438484E-12 GRAD(Rho)y -0.4244739E-13 GRAD(Rho)z -0.3047492E-13 Laplacian 0.1654153E+00 (-1/4)Del**2(Rho)) -0.4135383E-01 Diamond 0.6530947E-01 Metallicity 0.2130389E+01 Ellipticity 0.1509823E-01 Gb(Abramov) 0.4225251E-01 Vb(Abramov) -0.4315119E-01 Hb(Abramov) -0.8986826E-03 Ex_ueg -0.1084898E-01 Ec_ueg -0.1988174E-02 Delta_ex -0.1298121E-01 Delta_ec 0.4812749E-02 Delta_et -0.4850309E-01 Pxc 0.5456756E+01 Qxc -0.2697256E+01 3,-1 126 3 -1 0.569531 2.796515 1.791619 Rho 0.1437548E+00 |GRAD(Rho)| 0.3761471E-12 GRAD(Rho)x -0.2409964E-12 GRAD(Rho)y -0.9339324E-13 GRAD(Rho)z 0.2732857E-12 Laplacian 0.6040946E+00 (-1/4)Del**2(Rho)) -0.1510237E+00 Diamond 0.1168598E+01 Metallicity 0.4499998E+01 Ellipticity 0.9027502E-02 Gb(Abramov) 0.2139501E+00 Vb(Abramov) -0.2768766E+00 Hb(Abramov) -0.6292647E-01 Ex_ueg -0.5561796E-01 Ec_ueg -0.8044940E-02 Delta_ex -0.6425786E-01 Delta_ec 0.1558996E-01 Delta_et -0.2064961E+00 Pxc 0.6913408E+01 Qxc -0.4121745E+01 3,-1 127 3 -1 -0.047459 3.140689 -3.174556 Rho 0.2495597E+00 |GRAD(Rho)| 0.2886296E-15 GRAD(Rho)x 0.8296857E-16 GRAD(Rho)y 0.4803016E-16 GRAD(Rho)z 0.2722432E-15 Laplacian 0.9125814E+00 (-1/4)Del**2(Rho)) -0.2281453E+00 Diamond 0.3368210E+01 Metallicity 0.7469630E+01 Ellipticity 0.2014002E-02 Gb(Abramov) 0.4361238E+00 Vb(Abramov) -0.6441023E+00 Hb(Abramov) -0.2079785E+00 Ex_ueg -0.1160427E+00 Ec_ueg -0.1510245E-01 Delta_ex -0.1113171E+00 Delta_ec 0.1979259E-01 Delta_et -0.2738532E+00 Pxc 0.7683698E+01 Qxc -0.5624181E+01 3,-1 128 3 -1 0.070713 3.205822 3.180966 Rho 0.2487877E+00 |GRAD(Rho)| 0.2914346E-10 GRAD(Rho)x -0.4955156E-11 GRAD(Rho)y -0.2058955E-10 GRAD(Rho)z -0.2002144E-10 Laplacian 0.9052526E+00 (-1/4)Del**2(Rho)) -0.2263131E+00 Diamond 0.3332398E+01 Metallicity 0.7491320E+01 Ellipticity 0.2584067E-02 Gb(Abramov) 0.4334394E+00 Vb(Abramov) -0.6405657E+00 Hb(Abramov) -0.2071263E+00 Ex_ueg -0.1155643E+00 Ec_ueg -0.1504870E-01 Delta_ex -0.1103520E+00 Delta_ec 0.1968541E-01 Delta_et -0.2725079E+00 Pxc 0.7679355E+01 Qxc -0.5605778E+01 3,-1 129 3 -1 -0.482224 1.691780 1.704574 Rho 0.4414544E-01 |GRAD(Rho)| 0.3705093E-16 GRAD(Rho)x -0.3593686E-16 GRAD(Rho)y -0.8132363E-17 GRAD(Rho)z 0.3895928E-17 Laplacian 0.1760224E+00 (-1/4)Del**2(Rho)) -0.4400561E-01 Diamond 0.7472550E-01 Metallicity 0.2158680E+01 Ellipticity 0.1622438E-01 Gb(Abramov) 0.4516941E-01 Vb(Abramov) -0.4633321E-01 Hb(Abramov) -0.1163801E-02 Ex_ueg -0.1152302E-01 Ec_ueg -0.2093907E-02 Delta_ex -0.1401265E-01 Delta_ec 0.5194311E-02 Delta_et -0.5299388E-01 Pxc 0.5503118E+01 Qxc -0.2697692E+01 3,-1 130 3 -1 0.832348 -2.987732 1.989974 Rho 0.1430082E+00 |GRAD(Rho)| 0.1897365E-13 GRAD(Rho)x -0.9057574E-14 GRAD(Rho)y -0.6698309E-14 GRAD(Rho)z 0.1526737E-13 Laplacian 0.5678266E+00 (-1/4)Del**2(Rho)) -0.1419566E+00 Diamond 0.1074675E+01 Metallicity 0.4746053E+01 Ellipticity 0.6167474E-01 Gb(Abramov) 0.2069267E+00 Vb(Abramov) -0.2718968E+00 Hb(Abramov) -0.6497008E-01 Ex_ueg -0.5523315E-01 Ec_ueg -0.7997454E-02 Delta_ex -0.6014375E-01 Delta_ec 0.1435206E-01 Delta_et -0.1892677E+00 Pxc 0.6906342E+01 Qxc -0.4190601E+01 3,-1 131 3 -1 2.917589 -1.993313 0.800114 Rho 0.1038386E+00 |GRAD(Rho)| 0.7013520E-14 GRAD(Rho)x -0.2201076E-14 GRAD(Rho)y -0.4280932E-14 GRAD(Rho)z -0.5100819E-14 Laplacian 0.4177943E+00 (-1/4)Del**2(Rho)) -0.1044486E+00 Diamond 0.5435688E+00 Metallicity 0.3783691E+01 Ellipticity 0.7136764E-02 Gb(Abramov) 0.1354992E+00 Vb(Abramov) -0.1665499E+00 Hb(Abramov) -0.3105066E-01 Ex_ueg -0.3604655E-01 Ec_ueg -0.5558164E-02 Delta_ex -0.4107152E-01 Delta_ec 0.1154744E-01 Delta_et -0.1444991E+00 Pxc 0.6485334E+01 Qxc -0.3556765E+01 3,-1 132 3 +3 1.791015 -1.842810 1.835661 Rho 0.1199432E-01 |GRAD(Rho)| 0.1440589E-16 GRAD(Rho)x -0.7021098E-17 GRAD(Rho)y -0.1191723E-16 GRAD(Rho)z -0.4026568E-17 Laplacian 0.5452038E-01 (-1/4)Del**2(Rho)) -0.1363010E-01 Diamond 0.1161583E-02 Metallicity 0.7943531E+00 Ellipticity -0.5899308E+00 Gb(Abramov) 0.1089125E-01 Vb(Abramov) -0.8152401E-02 Hb(Abramov) 0.2738847E-02 Ex_ueg -0.2027772E-02 Ec_ueg -0.4593068E-03 Delta_ex -0.2384166E-02 Delta_ec 0.1802334E-03 Delta_et -0.1756720E-02 Pxc 0.4414854E+01 Qxc -0.1322821E+02 3,+3 133 3 -1 -0.234820 -1.418542 -3.244411 Rho 0.5120384E-02 |GRAD(Rho)| 0.4866350E-14 GRAD(Rho)x 0.1991029E-14 GRAD(Rho)y -0.2535895E-14 GRAD(Rho)z -0.3645052E-14 Laplacian 0.1992237E-01 (-1/4)Del**2(Rho)) -0.4980592E-02 Diamond 0.7171414E-03 Metallicity 0.5261503E+00 Ellipticity 0.9664729E-01 Gb(Abramov) 0.3757151E-02 Vb(Abramov) -0.2533711E-02 Hb(Abramov) 0.1223441E-02 Ex_ueg -0.6518112E-03 Ec_ueg -0.1520971E-03 Delta_ex -0.1208688E-02 Delta_ec 0.1008709E-02 Delta_et -0.5363637E-02 Pxc 0.4285494E+01 Qxc -0.1198252E+01 3,-1 134 3 +1 2.085586 -1.334052 1.028489 Rho 0.2469159E-01 |GRAD(Rho)| 0.2151120E-15 GRAD(Rho)x -0.1182622E-18 GRAD(Rho)y -0.1716943E-15 GRAD(Rho)z 0.1295925E-15 Laplacian 0.9660578E-01 (-1/4)Del**2(Rho)) -0.2415144E-01 Diamond 0.1245311E-01 Metallicity 0.1493454E+01 Ellipticity -0.3592225E+01 Gb(Abramov) 0.2211248E-01 Vb(Abramov) -0.2007351E-01 Hb(Abramov) 0.2038968E-02 Ex_ueg -0.5310278E-02 Ec_ueg -0.1073199E-02 Delta_ex -0.5992033E-02 Delta_ec 0.1645676E-02 Delta_et -0.1448108E-01 Pxc 0.4948083E+01 Qxc -0.3641077E+01 3,+1 135 3 -1 3.143932 -3.233242 -0.117771 Rho 0.2444476E+00 |GRAD(Rho)| 0.4642772E-12 GRAD(Rho)x -0.3309434E-12 GRAD(Rho)y 0.3194389E-12 GRAD(Rho)z 0.6315482E-13 Laplacian 0.8878847E+00 (-1/4)Del**2(Rho)) -0.2219712E+00 Diamond 0.3206465E+01 Metallicity 0.7417081E+01 Ellipticity 0.1122482E-01 Gb(Abramov) 0.4223771E+00 Vb(Abramov) -0.6227831E+00 Hb(Abramov) -0.2004060E+00 Ex_ueg -0.1128841E+00 Ec_ueg -0.1474711E-01 Delta_ex -0.1077705E+00 Delta_ec 0.1947089E-01 Delta_et -0.2696980E+00 Pxc 0.7654662E+01 Qxc -0.5534953E+01 3,-1 136 3 -1 -2.971483 0.835362 2.030794 Rho 0.1331013E+00 |GRAD(Rho)| 0.1815727E-14 GRAD(Rho)x -0.2821365E-15 GRAD(Rho)y -0.1603969E-14 GRAD(Rho)z 0.8028382E-15 Laplacian 0.5301864E+00 (-1/4)Del**2(Rho)) -0.1325466E+00 Diamond 0.9340317E+00 Metallicity 0.4509775E+01 Ellipticity 0.2237526E-01 Gb(Abramov) 0.1879903E+00 Vb(Abramov) -0.2434340E+00 Hb(Abramov) -0.5544369E-01 Ex_ueg -0.5019124E-01 Ec_ueg -0.7370694E-02 Delta_ex -0.5534017E-01 Delta_ec 0.1391968E-01 Delta_et -0.1821597E+00 Pxc 0.6809568E+01 Qxc -0.3975678E+01 3,-1 137 3 -1 -2.804550 1.764433 -0.550538 Rho 0.1478985E+00 |GRAD(Rho)| 0.3035679E-15 GRAD(Rho)x -0.1143833E-16 GRAD(Rho)y 0.2198220E-15 GRAD(Rho)z 0.2090477E-15 Laplacian 0.6219778E+00 (-1/4)Del**2(Rho)) -0.1554945E+00 Diamond 0.1235227E+01 Metallicity 0.4582591E+01 Ellipticity 0.1681302E-01 Gb(Abramov) 0.2224242E+00 Vb(Abramov) -0.2893540E+00 Hb(Abramov) -0.6692976E-01 Ex_ueg -0.5776569E-01 Ec_ueg -0.8309122E-02 Delta_ex -0.6652259E-01 Delta_ec 0.1576325E-01 Delta_et -0.2092599E+00 Pxc 0.6952081E+01 Qxc -0.4220106E+01 3,-1 138 3 +1 -1.998329 1.995702 2.009142 Rho 0.1264785E-01 |GRAD(Rho)| 0.2305134E-16 GRAD(Rho)x 0.1696779E-16 GRAD(Rho)y 0.1556555E-16 GRAD(Rho)z -0.1082783E-17 Laplacian 0.5955695E-01 (-1/4)Del**2(Rho)) -0.1488924E-01 Diamond 0.2063856E-02 Metallicity 0.7944046E+00 Ellipticity -0.1140845E+01 Gb(Abramov) 0.1189750E-01 Vb(Abramov) -0.8905772E-02 Hb(Abramov) 0.2991733E-02 Ex_ueg -0.2176409E-02 Ec_ueg -0.4895579E-03 Delta_ex -0.2833450E-02 Delta_ec 0.5320067E-03 Delta_et -0.4220549E-02 Pxc 0.4445662E+01 Qxc -0.5325967E+01 3,+1 139 3 +1 -1.773544 1.685308 -1.779846 Rho 0.1201220E-01 |GRAD(Rho)| 0.9800147E-14 GRAD(Rho)x -0.8434527E-14 GRAD(Rho)y -0.3783094E-14 GRAD(Rho)z 0.3254203E-14 Laplacian 0.6006110E-01 (-1/4)Del**2(Rho)) -0.1501528E-01 Diamond 0.2405091E-02 Metallicity 0.7228652E+00 Ellipticity -0.1243910E+01 Gb(Abramov) 0.1181919E-01 Vb(Abramov) -0.8623098E-02 Hb(Abramov) 0.3196088E-02 Ex_ueg -0.2031803E-02 Ec_ueg -0.4601321E-03 Delta_ex -0.2951639E-02 Delta_ec 0.7770561E-03 Delta_et -0.5830022E-02 Pxc 0.4415696E+01 Qxc -0.3798488E+01 3,+1 140 3 -1 -1.974646 0.865450 3.023350 Rho 0.1453898E+00 |GRAD(Rho)| 0.1742383E-13 GRAD(Rho)x -0.8868570E-14 GRAD(Rho)y -0.1383554E-13 GRAD(Rho)z -0.5789314E-14 Laplacian 0.5794072E+00 (-1/4)Del**2(Rho)) -0.1448518E+00 Diamond 0.1134577E+01 Metallicity 0.4781004E+01 Ellipticity 0.3525462E-01 Gb(Abramov) 0.2119907E+00 Vb(Abramov) -0.2791296E+00 Hb(Abramov) -0.6713891E-01 Ex_ueg -0.5646296E-01 Ec_ueg -0.8149050E-02 Delta_ex -0.6178579E-01 Delta_ec 0.1488192E-01 Delta_et -0.1973808E+00 Pxc 0.6928777E+01 Qxc -0.4151734E+01 3,-1 141 3 +3 -1.862065 1.854103 1.877125 Rho 0.1247424E-01 |GRAD(Rho)| 0.1717646E-16 GRAD(Rho)x 0.4379814E-17 GRAD(Rho)y -0.1307428E-16 GRAD(Rho)z 0.1024262E-16 Laplacian 0.5721304E-01 (-1/4)Del**2(Rho)) -0.1430326E-01 Diamond 0.1342784E-02 Metallicity 0.8081181E+00 Ellipticity -0.7507582E+00 Gb(Abramov) 0.1146196E-01 Vb(Abramov) -0.8620660E-02 Hb(Abramov) 0.2841299E-02 Ex_ueg -0.2136668E-02 Ec_ueg -0.4815055E-03 Delta_ex -0.2546227E-02 Delta_ec 0.2159484E-03 Delta_et -0.2030838E-02 Pxc 0.4437474E+01 Qxc -0.1179091E+02 3,+3 142 3 -1 -0.839621 2.971261 1.961530 Rho 0.1373763E+00 |GRAD(Rho)| 0.7889510E-13 GRAD(Rho)x 0.2841325E-13 GRAD(Rho)y -0.5208947E-13 GRAD(Rho)z 0.5199819E-13 Laplacian 0.5445222E+00 (-1/4)Del**2(Rho)) -0.1361305E+00 Diamond 0.9970719E+00 Metallicity 0.4628612E+01 Ellipticity 0.2649813E-01 Gb(Abramov) 0.1957696E+00 Vb(Abramov) -0.2554087E+00 Hb(Abramov) -0.5963907E-01 Ex_ueg -0.5235212E-01 Ec_ueg -0.7640382E-02 Delta_ex -0.5728053E-01 Delta_ec 0.1420062E-01 Delta_et -0.1867888E+00 Pxc 0.6852029E+01 Qxc -0.4033665E+01 3,-1 143 3 +3 2.334901 0.007880 0.006297 Rho 0.4157116E-02 |GRAD(Rho)| 0.2174594E-15 GRAD(Rho)x 0.1065452E-15 GRAD(Rho)y -0.1240184E-15 GRAD(Rho)z 0.1433741E-15 Laplacian 0.1719744E-01 (-1/4)Del**2(Rho)) -0.4299361E-02 Diamond 0.1341068E-03 Metallicity 0.4306617E+00 Ellipticity -0.2853678E+00 Gb(Abramov) 0.3174836E-02 Vb(Abramov) -0.2050310E-02 Hb(Abramov) 0.1124525E-02 Ex_ueg -0.4936752E-03 Ec_ueg -0.1108224E-03 Delta_ex -0.6131194E-03 Delta_ec 0.1622841E-03 Delta_et -0.9895329E-03 Pxc 0.4454652E+01 Qxc -0.3778062E+01 3,+3 144 3 +1 0.314712 -1.471119 -1.659283 Rho 0.5315989E-02 |GRAD(Rho)| 0.6711086E-16 GRAD(Rho)x 0.1622238E-16 GRAD(Rho)y 0.6049848E-16 GRAD(Rho)z 0.2409639E-16 Laplacian 0.2132974E-01 (-1/4)Del**2(Rho)) -0.5332436E-02 Diamond 0.4851660E-03 Metallicity 0.5231196E+00 Ellipticity -0.2151049E+01 Gb(Abramov) 0.4019874E-02 Vb(Abramov) -0.2707313E-02 Hb(Abramov) 0.1312562E-02 Ex_ueg -0.6852207E-03 Ec_ueg -0.1605363E-03 Delta_ex -0.1026130E-02 Delta_ec 0.5876818E-03 Delta_et -0.3284554E-02 Pxc 0.4268322E+01 Qxc -0.1746065E+01 3,+1 145 3 +1 1.049021 -1.293297 2.111506 Rho 0.2348303E-01 |GRAD(Rho)| 0.1386731E-11 GRAD(Rho)x 0.1075381E-11 GRAD(Rho)y 0.7834486E-12 GRAD(Rho)z 0.3908818E-12 Laplacian 0.9198330E-01 (-1/4)Del**2(Rho)) -0.2299582E-01 Diamond 0.1144127E-01 Metallicity 0.1442650E+01 Ellipticity -0.3997896E+01 Gb(Abramov) 0.2085970E-01 Vb(Abramov) -0.1872359E-01 Hb(Abramov) 0.2136119E-02 Ex_ueg -0.4966578E-02 Ec_ueg -0.1012644E-02 Delta_ex -0.5673888E-02 Delta_ec 0.1646026E-02 Delta_et -0.1428456E-01 Pxc 0.4904562E+01 Qxc -0.3447021E+01 3,+1 146 3 -1 0.801539 -1.986229 2.977948 Rho 0.1253697E+00 |GRAD(Rho)| 0.3530680E-13 GRAD(Rho)x 0.3440897E-13 GRAD(Rho)y -0.7867310E-14 GRAD(Rho)z 0.8359944E-15 Laplacian 0.4953005E+00 (-1/4)Del**2(Rho)) -0.1238251E+00 Diamond 0.8029517E+00 Metallicity 0.4369169E+01 Ellipticity 0.3452191E-01 Gb(Abramov) 0.1727189E+00 Vb(Abramov) -0.2216127E+00 Hb(Abramov) -0.4889376E-01 Ex_ueg -0.4634205E-01 Ec_ueg -0.6886009E-02 Delta_ex -0.5084489E-01 Delta_ec 0.1298518E-01 Delta_et -0.1679080E+00 Pxc 0.6729885E+01 Qxc -0.3915610E+01 3,-1 147 3 +1 1.335427 0.985078 -2.101711 Rho 0.2509901E-01 |GRAD(Rho)| 0.2429939E-16 GRAD(Rho)x -0.1668631E-16 GRAD(Rho)y 0.1351583E-16 GRAD(Rho)z -0.1137319E-16 Laplacian 0.9818155E-01 (-1/4)Del**2(Rho)) -0.2454539E-01 Diamond 0.1287750E-01 Metallicity 0.1510118E+01 Ellipticity -0.3659717E+01 Gb(Abramov) 0.2254133E-01 Vb(Abramov) -0.2053727E-01 Hb(Abramov) 0.2004058E-02 Ex_ueg -0.5427424E-02 Ec_ueg -0.1093700E-02 Delta_ex -0.6109179E-02 Delta_ec 0.1659583E-02 Delta_et -0.1466510E-01 Pxc 0.4962442E+01 Qxc -0.3681154E+01 3,+1 148 3 -1 0.853019 1.924048 -2.956623 Rho 0.1397780E+00 |GRAD(Rho)| 0.2623194E-15 GRAD(Rho)x -0.1974603E-16 GRAD(Rho)y 0.2513858E-15 GRAD(Rho)z -0.7229596E-16 Laplacian 0.5578336E+00 (-1/4)Del**2(Rho)) -0.1394584E+00 Diamond 0.1041453E+01 Metallicity 0.4650572E+01 Ellipticity 0.3220638E-01 Gb(Abramov) 0.2010658E+00 Vb(Abramov) -0.2626733E+00 Hb(Abramov) -0.6160743E-01 Ex_ueg -0.5357597E-01 Ec_ueg -0.7792403E-02 Delta_ex -0.5891214E-01 Delta_ec 0.1445783E-01 Delta_et -0.1906192E+00 Pxc 0.6875411E+01 Qxc -0.4074757E+01 3,-1 149 3 -1 -0.563881 1.750734 -2.780038 Rho 0.1294572E+00 |GRAD(Rho)| 0.4632300E-15 GRAD(Rho)x -0.3072087E-15 GRAD(Rho)y -0.3060703E-15 GRAD(Rho)z -0.1628675E-15 Laplacian 0.5436755E+00 (-1/4)Del**2(Rho)) -0.1359189E+00 Diamond 0.9295159E+00 Metallicity 0.4199044E+01 Ellipticity 0.1421385E-01 Gb(Abramov) 0.1857341E+00 Vb(Abramov) -0.2355494E+00 Hb(Abramov) -0.4981525E-01 Ex_ueg -0.4836746E-01 Ec_ueg -0.7141754E-02 Delta_ex -0.5640759E-01 Delta_ec 0.1443679E-01 Delta_et -0.1882049E+00 Pxc 0.6772490E+01 Qxc -0.3907213E+01 3,-1 150 3 -1 -2.800762 0.551562 -1.822649 Rho 0.1253490E+00 |GRAD(Rho)| 0.2440640E-12 GRAD(Rho)x 0.2914861E-13 GRAD(Rho)y -0.1345672E-12 GRAD(Rho)z -0.2015174E-12 Laplacian 0.5297114E+00 (-1/4)Del**2(Rho)) -0.1324279E+00 Diamond 0.8589695E+00 Metallicity 0.4084217E+01 Ellipticity 0.4958266E-02 Gb(Abramov) 0.1784293E+00 Vb(Abramov) -0.2244306E+00 Hb(Abramov) -0.4600140E-01 Ex_ueg -0.4633186E-01 Ec_ueg -0.6884718E-02 Delta_ex -0.5438027E-01 Delta_ec 0.1389697E-01 Delta_et -0.1797096E+00 Pxc 0.6729667E+01 Qxc -0.3913102E+01 3,-1 151 3 -1 0.308849 0.338598 -0.373230 Rho 0.1979499E+00 |GRAD(Rho)| 0.2149087E-11 GRAD(Rho)x -0.1272675E-11 GRAD(Rho)y -0.1187555E-11 GRAD(Rho)z 0.1260391E-11 Laplacian 0.6756326E+00 (-1/4)Del**2(Rho)) -0.1689081E+00 Diamond 0.2127477E+01 Metallicity 0.6857430E+01 Ellipticity 0.6007516E-02 Gb(Abramov) 0.3056514E+00 Vb(Abramov) -0.4423946E+00 Hb(Abramov) -0.1367432E+00 Ex_ueg -0.8520376E-01 Ec_ueg -0.1158094E-01 Delta_ex -0.7926588E-01 Delta_ec 0.1861706E-01 Delta_et -0.2647885E+00 Pxc 0.7357241E+01 Qxc -0.4257702E+01 3,-1 152 3 -1 1.699620 0.468206 -1.703929 Rho 0.3403364E-01 |GRAD(Rho)| 0.1198098E-15 GRAD(Rho)x 0.6906887E-16 GRAD(Rho)y -0.3623787E-16 GRAD(Rho)z -0.9094339E-16 Laplacian 0.1306096E+00 (-1/4)Del**2(Rho)) -0.3265240E-01 Diamond 0.3792636E-01 Metallicity 0.1885755E+01 Ellipticity 0.2733511E-01 Gb(Abramov) 0.3203067E-01 Vb(Abramov) -0.3140894E-01 Hb(Abramov) 0.6217267E-03 Ex_ueg -0.8145721E-02 Ec_ueg -0.1553483E-02 Delta_ex -0.9676817E-02 Delta_ec 0.3732129E-02 Delta_et -0.3549254E-01 Pxc 0.5243523E+01 Qxc -0.2592841E+01 3,-1 153 3 -1 1.668445 -0.524792 1.676500 Rho 0.3856216E-01 |GRAD(Rho)| 0.1677963E-16 GRAD(Rho)x -0.8758109E-17 GRAD(Rho)y -0.1098941E-16 GRAD(Rho)z -0.9169767E-17 Laplacian 0.1512864E+00 (-1/4)Del**2(Rho)) -0.3782160E-01 Diamond 0.5284152E-01 Metallicity 0.2004851E+01 Ellipticity 0.2906995E-01 Gb(Abramov) 0.3785218E-01 Vb(Abramov) -0.3788277E-01 Hb(Abramov) -0.3058107E-04 Ex_ueg -0.9622034E-02 Ec_ueg -0.1793146E-02 Delta_ex -0.1160873E-01 Delta_ec 0.4403608E-02 Delta_et -0.4332329E-01 Pxc 0.5366008E+01 Qxc -0.2636187E+01 3,-1 154 3 +1 2.955183 -0.053213 0.090066 Rho 0.4913856E-02 |GRAD(Rho)| 0.2745675E-15 GRAD(Rho)x -0.1280462E-17 GRAD(Rho)y -0.1663679E-15 GRAD(Rho)z 0.2184202E-15 Laplacian 0.2008424E-01 (-1/4)Del**2(Rho)) -0.5021060E-02 Diamond 0.4963440E-03 Metallicity 0.4872986E+00 Ellipticity -0.5997692E+01 Gb(Abramov) 0.3755166E-02 Vb(Abramov) -0.2489272E-02 Hb(Abramov) 0.1265894E-02 Ex_ueg -0.6169950E-03 Ec_ueg -0.1432076E-03 Delta_ex -0.1032096E-02 Delta_ec 0.6982581E-03 Delta_et -0.3745723E-02 Pxc 0.4308397E+01 Qxc -0.1478101E+01 3,+1 155 3 -1 1.795598 0.554516 2.774176 Rho 0.1255559E+00 |GRAD(Rho)| 0.2795400E-12 GRAD(Rho)x 0.1986612E-12 GRAD(Rho)y -0.1888921E-12 GRAD(Rho)z -0.5473678E-13 Laplacian 0.5302299E+00 (-1/4)Del**2(Rho)) -0.1325575E+00 Diamond 0.8717541E+00 Metallicity 0.4091453E+01 Ellipticity 0.1414292E-01 Gb(Abramov) 0.1787638E+00 Vb(Abramov) -0.2249700E+00 Hb(Abramov) -0.4620628E-01 Ex_ueg -0.4643384E-01 Ec_ueg -0.6897634E-02 Delta_ex -0.5458437E-01 Delta_ec 0.1413595E-01 Delta_et -0.1832617E+00 Pxc 0.6731850E+01 Qxc -0.3861387E+01 3,-1 156 3 -1 2.011143 0.800900 -2.978464 Rho 0.1434640E+00 |GRAD(Rho)| 0.2291181E-15 GRAD(Rho)x 0.1488474E-15 GRAD(Rho)y -0.1566672E-15 GRAD(Rho)z 0.7612455E-16 Laplacian 0.5709502E+00 (-1/4)Del**2(Rho)) -0.1427376E+00 Diamond 0.1104679E+01 Metallicity 0.4745184E+01 Ellipticity 0.2624251E-01 Gb(Abramov) 0.2080444E+00 Vb(Abramov) -0.2733512E+00 Hb(Abramov) -0.6530682E-01 Ex_ueg -0.5546797E-01 Ec_ueg -0.8026437E-02 Delta_ex -0.6073272E-01 Delta_ec 0.1479628E-01 Delta_et -0.1960415E+00 Pxc 0.6910659E+01 Qxc -0.4104593E+01 3,-1 157 3 -1 2.770431 0.558863 1.826240 Rho 0.1310630E+00 |GRAD(Rho)| 0.2271307E-15 GRAD(Rho)x 0.1418272E-16 GRAD(Rho)y 0.4820634E-16 GRAD(Rho)z 0.2215025E-15 Laplacian 0.5531370E+00 (-1/4)Del**2(Rho)) -0.1382842E+00 Diamond 0.9611512E+00 Metallicity 0.4212896E+01 Ellipticity 0.1263474E-01 Gb(Abramov) 0.1892857E+00 Vb(Abramov) -0.2402871E+00 Hb(Abramov) -0.5100145E-01 Ex_ueg -0.4916907E-01 Ec_ueg -0.7242533E-02 Delta_ex -0.5757580E-01 Delta_ec 0.1467367E-01 Delta_et -0.1917338E+00 Pxc 0.6788932E+01 Qxc -0.3923750E+01 3,-1 158 3 -1 -3.217457 0.128102 -3.201239 Rho 0.2381461E+00 |GRAD(Rho)| 0.5729523E-10 GRAD(Rho)x 0.4065679E-10 GRAD(Rho)y -0.1388847E-10 GRAD(Rho)z 0.3790619E-10 Laplacian 0.8547667E+00 (-1/4)Del**2(Rho)) -0.2136917E+00 Diamond 0.3006010E+01 Metallicity 0.7376294E+01 Ellipticity 0.2090022E-02 Gb(Abramov) 0.4051699E+00 Vb(Abramov) -0.5966480E+00 Hb(Abramov) -0.1914782E+00 Ex_ueg -0.1090209E+00 Ec_ueg -0.1431106E-01 Delta_ex -0.1031236E+00 Delta_ec 0.1903179E-01 Delta_et -0.2640148E+00 Pxc 0.7617950E+01 Qxc -0.5418493E+01 3,-1 159 3 -1 -3.176632 -0.049358 3.274450 Rho 0.2494900E+00 |GRAD(Rho)| 0.1209330E-14 GRAD(Rho)x 0.9326307E-15 GRAD(Rho)y 0.2396087E-15 GRAD(Rho)z -0.7316196E-15 Laplacian 0.9006109E+00 (-1/4)Del**2(Rho)) -0.2251527E+00 Diamond 0.3333855E+01 Metallicity 0.7565388E+01 Ellipticity 0.1865543E-02 Gb(Abramov) 0.4339964E+00 Vb(Abramov) -0.6428401E+00 Hb(Abramov) -0.2088437E+00 Ex_ueg -0.1159994E+00 Ec_ueg -0.1509759E-01 Delta_ex -0.1099042E+00 Delta_ec 0.1963340E-01 Delta_et -0.2721103E+00 Pxc 0.7683306E+01 Qxc -0.5597818E+01 3,-1 160 3 -1 -1.578863 -2.708319 -2.346480 Rho 0.3914905E-01 |GRAD(Rho)| 0.7962388E-16 GRAD(Rho)x 0.5410416E-17 GRAD(Rho)y 0.4885706E-16 GRAD(Rho)z -0.6263927E-16 Laplacian 0.1075082E+00 (-1/4)Del**2(Rho)) -0.2687705E-01 Diamond 0.6007020E-01 Metallicity 0.2893167E+01 Ellipticity 0.2919275E-01 Gb(Abramov) 0.3087800E-01 Vb(Abramov) -0.3487895E-01 Hb(Abramov) -0.4000951E-02 Ex_ueg -0.9817780E-02 Ec_ueg -0.1824496E-02 Delta_ex -0.9578887E-02 Delta_ec 0.5447177E-02 Delta_et -0.5404721E-01 Pxc 0.5381091E+01 Qxc -0.1758505E+01 3,-1 161 3 -1 -2.785906 -0.564817 1.877929 Rho 0.1425912E+00 |GRAD(Rho)| 0.2859922E-13 GRAD(Rho)x -0.6894869E-14 GRAD(Rho)y 0.2770254E-13 GRAD(Rho)z -0.1716102E-14 Laplacian 0.5996004E+00 (-1/4)Del**2(Rho)) -0.1499001E+00 Diamond 0.1149770E+01 Metallicity 0.4472727E+01 Ellipticity 0.9785365E-02 Gb(Abramov) 0.2116771E+00 Vb(Abramov) -0.2734541E+00 Hb(Abramov) -0.6177700E-01 Ex_ueg -0.5501849E-01 Ec_ueg -0.7970943E-02 Delta_ex -0.6366557E-01 Delta_ec 0.1552634E-01 Delta_et -0.2054513E+00 Pxc 0.6902381E+01 Qxc -0.4100487E+01 3,-1 162 3 -1 -0.759036 -3.348353 -1.306662 Rho 0.3120347E+00 |GRAD(Rho)| 0.5684525E-15 GRAD(Rho)x 0.2097393E-15 GRAD(Rho)y -0.4565294E-15 GRAD(Rho)z 0.2659484E-15 Laplacian -0.1605784E+01 (-1/4)Del**2(Rho)) 0.4014460E+00 Diamond 0.5447341E+01 Metallicity -0.6160238E+01 Ellipticity 0.3720553E-02 Gb(Abramov) 0.1445365E+00 Vb(Abramov) -0.6905190E+00 Hb(Abramov) -0.5459825E+00 Ex_ueg -0.1563108E+00 Ec_ueg -0.1956102E-01 Delta_ex 0.1583221E+00 Delta_ec 0.5604481E-01 Delta_et -0.1316585E+01 Pxc 0.7990931E+01 Qxc 0.2824919E+01 3,-1 163 3 -1 -0.394908 0.353012 0.376748 Rho 0.1947660E+00 |GRAD(Rho)| 0.9784952E-14 GRAD(Rho)x 0.3224450E-14 GRAD(Rho)y 0.7038321E-14 GRAD(Rho)z 0.5984167E-14 Laplacian 0.6501923E+00 (-1/4)Del**2(Rho)) -0.1625481E+00 Diamond 0.2008582E+01 Metallicity 0.6935746E+01 Ellipticity 0.5016868E-02 Gb(Abramov) 0.2962641E+00 Vb(Abramov) -0.4299801E+00 Hb(Abramov) -0.1337160E+00 Ex_ueg -0.8338140E-01 Ec_ueg -0.1136852E-01 Delta_ex -0.7598113E-01 Delta_ec 0.1799821E-01 Delta_et -0.2554590E+00 Pxc 0.7334411E+01 Qxc -0.4221594E+01 3,-1 164 3 -1 1.937113 -0.638654 -2.823798 Rho 0.1593427E+00 |GRAD(Rho)| 0.9873439E-16 GRAD(Rho)x 0.1853986E-16 GRAD(Rho)y -0.5724587E-16 GRAD(Rho)z -0.7827940E-16 Laplacian 0.6078078E+00 (-1/4)Del**2(Rho)) -0.1519519E+00 Diamond 0.1349821E+01 Metallicity 0.5309664E+01 Ellipticity 0.1128198E+00 Gb(Abramov) 0.2357703E+00 Vb(Abramov) -0.3195886E+00 Hb(Abramov) -0.8381831E-01 Ex_ueg -0.6380105E-01 Ec_ueg -0.9044237E-02 Delta_ex -0.6648683E-01 Delta_ec 0.1560632E-01 Delta_et -0.2104860E+00 Pxc 0.7054332E+01 Qxc -0.4260249E+01 3,-1 165 3 -1 1.944862 -0.857061 2.993425 Rho 0.1519139E+00 |GRAD(Rho)| 0.1319390E-15 GRAD(Rho)x -0.4662069E-17 GRAD(Rho)y -0.1308090E-15 GRAD(Rho)z 0.1658829E-16 Laplacian 0.6011249E+00 (-1/4)Del**2(Rho)) -0.1502812E+00 Diamond 0.1243483E+01 Metallicity 0.4958052E+01 Ellipticity 0.3849080E-01 Gb(Abramov) 0.2243712E+00 Vb(Abramov) -0.2984611E+00 Hb(Abramov) -0.7408994E-01 Ex_ueg -0.5986622E-01 Ec_ueg -0.8566145E-02 Delta_ex -0.6482157E-01 Delta_ec 0.1531947E-01 Delta_et -0.2045612E+00 Pxc 0.6988700E+01 Qxc -0.4231319E+01 3,-1 166 3 -1 3.289284 -0.029104 -3.197021 Rho 0.2491549E+00 |GRAD(Rho)| 0.5671242E-15 GRAD(Rho)x 0.4228388E-15 GRAD(Rho)y -0.6857579E-16 GRAD(Rho)z -0.3716645E-15 Laplacian 0.8906589E+00 (-1/4)Del**2(Rho)) -0.2226647E+00 Diamond 0.3297578E+01 Metallicity 0.7632804E+01 Ellipticity 0.2237838E-02 Gb(Abramov) 0.4317025E+00 Vb(Abramov) -0.6407403E+00 Hb(Abramov) -0.2090378E+00 Ex_ueg -0.1157917E+00 Ec_ueg -0.1507426E-01 Delta_ex -0.1086813E+00 Delta_ec 0.1947763E-01 Delta_et -0.2701903E+00 Pxc 0.7681422E+01 Qxc -0.5579799E+01 3,-1 167 3 -1 2.783616 -1.818232 -0.611208 Rho 0.1380119E+00 |GRAD(Rho)| 0.1322006E-11 GRAD(Rho)x -0.3152252E-12 GRAD(Rho)y -0.1019031E-11 GRAD(Rho)z 0.7809662E-12 Laplacian 0.5733104E+00 (-1/4)Del**2(Rho)) -0.1433276E+00 Diamond 0.1058564E+01 Metallicity 0.4430141E+01 Ellipticity 0.1196398E-01 Gb(Abramov) 0.2013786E+00 Vb(Abramov) -0.2594297E+00 Hb(Abramov) -0.5805105E-01 Ex_ueg -0.5267531E-01 Ec_ueg -0.7680577E-02 Delta_ex -0.6040921E-01 Delta_ec 0.1499316E-01 Delta_et -0.1974728E+00 Pxc 0.6858249E+01 Qxc -0.4029119E+01 3,-1 168 3 -1 -3.265606 -3.116602 0.072686 Rho 0.2476987E+00 |GRAD(Rho)| 0.1160636E-13 GRAD(Rho)x 0.8351935E-14 GRAD(Rho)y -0.2070501E-14 GRAD(Rho)z -0.7788827E-14 Laplacian 0.9128103E+00 (-1/4)Del**2(Rho)) -0.2282026E+00 Diamond 0.3335824E+01 Metallicity 0.7375170E+01 Ellipticity 0.2181033E-02 Gb(Abramov) 0.4326405E+00 Vb(Abramov) -0.6370785E+00 Hb(Abramov) -0.2044379E+00 Ex_ueg -0.1148903E+00 Ec_ueg -0.1497292E-01 Delta_ex -0.1111111E+00 Delta_ec 0.1981511E-01 Delta_et -0.2739948E+00 Pxc 0.7673203E+01 Qxc -0.5607394E+01 3,-1 169 3 +3 -1.717721 -1.818538 -1.830531 Rho 0.1061013E-01 |GRAD(Rho)| 0.8458535E-17 GRAD(Rho)x -0.5995193E-17 GRAD(Rho)y -0.5127186E-17 GRAD(Rho)z -0.3052283E-17 Laplacian 0.4819192E-01 (-1/4)Del**2(Rho)) -0.1204798E-01 Diamond 0.1092424E-02 Metallicity 0.7325545E+00 Ellipticity -0.7905026E+00 Gb(Abramov) 0.9502953E-02 Vb(Abramov) -0.6957927E-02 Hb(Abramov) 0.2545026E-02 Ex_ueg -0.1721918E-02 Ec_ueg -0.3957939E-03 Delta_ex -0.2110009E-02 Delta_ec 0.2978768E-03 Delta_et -0.2434121E-02 Pxc 0.4350543E+01 Qxc -0.7083494E+01 3,+3 170 3 -1 -1.678482 0.495134 1.745499 Rho 0.3948504E-01 |GRAD(Rho)| 0.2310168E-16 GRAD(Rho)x 0.1796133E-17 GRAD(Rho)y 0.2695365E-17 GRAD(Rho)z -0.2287349E-16 Laplacian 0.1536228E+00 (-1/4)Del**2(Rho)) -0.3840571E-01 Diamond 0.5526582E-01 Metallicity 0.2053738E+01 Ellipticity 0.1337146E-01 Gb(Abramov) 0.3874969E-01 Vb(Abramov) -0.3909366E-01 Hb(Abramov) -0.3439738E-03 Ex_ueg -0.9930288E-02 Ec_ueg -0.1842474E-02 Delta_ex -0.1184889E-01 Delta_ec 0.4455540E-02 Delta_et -0.4411210E-01 Pxc 0.5389650E+01 Qxc -0.2659362E+01 3,-1 171 3 -1 -1.821239 0.538646 -2.813111 Rho 0.1473937E+00 |GRAD(Rho)| 0.3214436E-13 GRAD(Rho)x -0.2486360E-13 GRAD(Rho)y -0.2008705E-13 GRAD(Rho)z 0.3401671E-14 Laplacian 0.6198771E+00 (-1/4)Del**2(Rho)) -0.1549693E+00 Diamond 0.1215550E+01 Metallicity 0.4571998E+01 Ellipticity 0.2424830E-01 Gb(Abramov) 0.2213994E+00 Vb(Abramov) -0.2878295E+00 Hb(Abramov) -0.6643010E-01 Ex_ueg -0.5750299E-01 Ec_ueg -0.8276885E-02 Delta_ex -0.6613563E-01 Delta_ec 0.1553289E-01 Delta_et -0.2056725E+00 Pxc 0.6947419E+01 Qxc -0.4257780E+01 3,-1 172 3 -1 -0.845154 1.999682 2.985364 Rho 0.1399352E+00 |GRAD(Rho)| 0.6956555E-16 GRAD(Rho)x -0.3645630E-17 GRAD(Rho)y 0.2412350E-16 GRAD(Rho)z 0.6514700E-16 Laplacian 0.5578081E+00 (-1/4)Del**2(Rho)) -0.1394520E+00 Diamond 0.1045147E+01 Metallicity 0.4659505E+01 Ellipticity 0.3031593E-01 Gb(Abramov) 0.2012642E+00 Vb(Abramov) -0.2630765E+00 Hb(Abramov) -0.6181222E-01 Ex_ueg -0.5365632E-01 Ec_ueg -0.7802366E-02 Delta_ex -0.5895106E-01 Delta_ec 0.1449876E-01 Delta_et -0.1912859E+00 Pxc 0.6876929E+01 Qxc -0.4065937E+01 3,-1 173 3 -1 0.472740 1.648436 -1.676059 Rho 0.4639883E-01 |GRAD(Rho)| 0.6989096E-16 GRAD(Rho)x -0.4423778E-16 GRAD(Rho)y 0.3967418E-16 GRAD(Rho)z -0.3679299E-16 Laplacian 0.1847606E+00 (-1/4)Del**2(Rho)) -0.4619015E-01 Diamond 0.8415643E-01 Metallicity 0.2234510E+01 Ellipticity 0.1208784E-01 Gb(Abramov) 0.4799549E-01 Vb(Abramov) -0.4980083E-01 Hb(Abramov) -0.1805341E-02 Ex_ueg -0.1231387E-01 Ec_ueg -0.2216803E-02 Delta_ex -0.1490371E-01 Delta_ec 0.5469592E-02 Delta_et -0.5654597E-01 Pxc 0.5554786E+01 Qxc -0.2724829E+01 3,-1 174 3 -1 0.572106 1.814121 2.770532 Rho 0.1562330E+00 |GRAD(Rho)| 0.4712985E-13 GRAD(Rho)x 0.4531252E-13 GRAD(Rho)y 0.2943555E-14 GRAD(Rho)z -0.1262273E-13 Laplacian 0.6560681E+00 (-1/4)Del**2(Rho)) -0.1640170E+00 Diamond 0.1393402E+01 Metallicity 0.4760133E+01 Ellipticity 0.1526626E-01 Gb(Abramov) 0.2394685E+00 Vb(Abramov) -0.3149200E+00 Hb(Abramov) -0.7545146E-01 Ex_ueg -0.6214635E-01 Ec_ueg -0.8843705E-02 Delta_ex -0.7114019E-01 Delta_ec 0.1643117E-01 Delta_et -0.2198287E+00 Pxc 0.7027184E+01 Qxc -0.4329588E+01 3,-1 175 3 -1 2.845003 -0.580370 -1.807772 Rho 0.1458068E+00 |GRAD(Rho)| 0.3668277E-12 GRAD(Rho)x -0.4412155E-13 GRAD(Rho)y 0.2511179E-12 GRAD(Rho)z -0.2637340E-12 Laplacian 0.6036000E+00 (-1/4)Del**2(Rho)) -0.1509000E+00 Diamond 0.1186633E+01 Metallicity 0.4611336E+01 Ellipticity 0.1665141E-01 Gb(Abramov) 0.2165751E+00 Vb(Abramov) -0.2822502E+00 Hb(Abramov) -0.6567509E-01 Ex_ueg -0.5667897E-01 Ec_ueg -0.8175629E-02 Delta_ex -0.6441704E-01 Delta_ec 0.1550366E-01 Delta_et -0.2057374E+00 Pxc 0.6932674E+01 Qxc -0.4154956E+01 3,-1 176 3 -1 3.178708 0.011925 3.207976 Rho 0.2486570E+00 |GRAD(Rho)| 0.4136247E-15 GRAD(Rho)x -0.4499439E-16 GRAD(Rho)y -0.2889399E-16 GRAD(Rho)z -0.4101537E-15 Laplacian 0.8982038E+00 (-1/4)Del**2(Rho)) -0.2245510E+00 Diamond 0.3313295E+01 Metallicity 0.7543498E+01 Ellipticity 0.3215672E-02 Gb(Abramov) 0.4320173E+00 Vb(Abramov) -0.6394836E+00 Hb(Abramov) -0.2074663E+00 Ex_ueg -0.1154833E+00 Ec_ueg -0.1503960E-01 Delta_ex -0.1095230E+00 Delta_ec 0.1961624E-01 Delta_et -0.2719234E+00 Pxc 0.7678618E+01 Qxc -0.5583283E+01 3,-1 177 3 -1 3.003240 0.833115 -1.968064 Rho 0.1345837E+00 |GRAD(Rho)| 0.7941633E-13 GRAD(Rho)x 0.5495489E-13 GRAD(Rho)y -0.1720088E-13 GRAD(Rho)z 0.5469042E-13 Laplacian 0.5495576E+00 (-1/4)Del**2(Rho)) -0.1373894E+00 Diamond 0.9807185E+00 Metallicity 0.4431873E+01 Ellipticity 0.1666245E-01 Gb(Abramov) 0.1930750E+00 Vb(Abramov) -0.2487606E+00 Hb(Abramov) -0.5568559E-01 Ex_ueg -0.5093796E-01 Ec_ueg -0.7464076E-02 Delta_ex -0.5751122E-01 Delta_ec 0.1438152E-01 Delta_et -0.1885187E+00 Pxc 0.6824416E+01 Qxc -0.3998965E+01 3,-1 178 3 -1 -1.828747 2.720457 -0.567872 Rho 0.1327752E+00 |GRAD(Rho)| 0.2882573E-15 GRAD(Rho)x 0.1698674E-15 GRAD(Rho)y 0.3279034E-16 GRAD(Rho)z -0.2305691E-15 Laplacian 0.5594251E+00 (-1/4)Del**2(Rho)) -0.1398563E+00 Diamond 0.9850151E+00 Metallicity 0.4256630E+01 Ellipticity 0.1168544E-01 Gb(Abramov) 0.1924569E+00 Vb(Abramov) -0.2450576E+00 Hb(Abramov) -0.5260065E-01 Ex_ueg -0.5002735E-01 Ec_ueg -0.7350171E-02 Delta_ex -0.5838529E-01 Delta_ec 0.1474564E-01 Delta_et -0.1929880E+00 Pxc 0.6806284E+01 Qxc -0.3959497E+01 3,-1 179 3 -1 2.978773 1.973464 -0.814241 Rho 0.1507631E+00 |GRAD(Rho)| 0.2912578E-14 GRAD(Rho)x 0.2260453E-14 GRAD(Rho)y 0.1713975E-14 GRAD(Rho)z 0.6601165E-15 Laplacian 0.6036117E+00 (-1/4)Del**2(Rho)) -0.1509029E+00 Diamond 0.1235049E+01 Metallicity 0.4875442E+01 Ellipticity 0.3078384E-01 Gb(Abramov) 0.2232217E+00 Vb(Abramov) -0.2955404E+00 Hb(Abramov) -0.7231877E-01 Ex_ueg -0.5926230E-01 Ec_ueg -0.8492382E-02 Delta_ex -0.6494620E-01 Delta_ec 0.1537259E-01 Delta_et -0.2049623E+00 Pxc 0.6978290E+01 Qxc -0.4224805E+01 3,-1 180 3 -1 -1.630430 -2.200417 -2.978533 Rho 0.3103207E+00 |GRAD(Rho)| 0.9583806E-15 GRAD(Rho)x 0.7806700E-15 GRAD(Rho)y 0.4524181E-15 GRAD(Rho)z 0.3230567E-15 Laplacian -0.1556295E+01 (-1/4)Del**2(Rho)) 0.3890737E+00 Diamond 0.5336364E+01 Metallicity -0.6298047E+01 Ellipticity 0.2245566E-02 Gb(Abramov) 0.1490183E+00 Vb(Abramov) -0.6871103E+00 Hb(Abramov) -0.5380920E+00 Ex_ueg -0.1551670E+00 Ec_ueg -0.1943582E-01 Delta_ex 0.1527639E+00 Delta_ec 0.5493732E-01 Delta_et -0.1285450E+01 Pxc 0.7983558E+01 Qxc 0.2780694E+01 3,-1 181 3 -1 1.800965 2.789021 0.577172 Rho 0.1434716E+00 |GRAD(Rho)| 0.1698999E-15 GRAD(Rho)x -0.7837426E-16 GRAD(Rho)y -0.1053167E-15 GRAD(Rho)z 0.1078510E-15 Laplacian 0.6047997E+00 (-1/4)Del**2(Rho)) -0.1511999E+00 Diamond 0.1164705E+01 Metallicity 0.4480002E+01 Ellipticity 0.8655526E-02 Gb(Abramov) 0.2136959E+00 Vb(Abramov) -0.2761919E+00 Hb(Abramov) -0.6249601E-01 Ex_ueg -0.5547189E-01 Ec_ueg -0.8026921E-02 Delta_ex -0.6427559E-01 Delta_ec 0.1556872E-01 Delta_et -0.2060536E+00 Pxc 0.6910731E+01 Qxc -0.4128509E+01 3,-1 182 3 -1 0.850268 2.941177 -1.964205 Rho 0.1525963E+00 |GRAD(Rho)| 0.7194664E-15 GRAD(Rho)x -0.7085532E-15 GRAD(Rho)y -0.1582935E-16 GRAD(Rho)z -0.1238294E-15 Laplacian 0.6084357E+00 (-1/4)Del**2(Rho)) -0.1521089E+00 Diamond 0.1261284E+01 Metallicity 0.4935204E+01 Ellipticity 0.4508204E-01 Gb(Abramov) 0.2265207E+00 Vb(Abramov) -0.3009325E+00 Hb(Abramov) -0.7441178E-01 Ex_ueg -0.6022503E-01 Ec_ueg -0.8609920E-02 Delta_ex -0.6564221E-01 Delta_ec 0.1541699E-01 Delta_et -0.2058232E+00 Pxc 0.6994841E+01 Qxc -0.4257785E+01 3,-1 183 3 -1 2.955571 -0.864862 1.984381 Rho 0.1727560E+00 |GRAD(Rho)| 0.4762511E-15 GRAD(Rho)x -0.1989375E-15 GRAD(Rho)y 0.3874668E-15 GRAD(Rho)z 0.1926356E-15 Laplacian 0.6819192E+00 (-1/4)Del**2(Rho)) -0.1704798E+00 Diamond 0.1635234E+01 Metallicity 0.5415044E+01 Ellipticity 0.4966944E-01 Gb(Abramov) 0.2675125E+00 Vb(Abramov) -0.3645451E+00 Hb(Abramov) -0.9703266E-01 Ex_ueg -0.7106064E-01 Ec_ueg -0.9915805E-02 Delta_ex -0.7582574E-01 Delta_ec 0.1666085E-01 Delta_et -0.2256964E+00 Pxc 0.7166402E+01 Qxc -0.4551133E+01 3,-1 184 3 -1 2.780351 1.810235 0.606112 Rho 0.1550682E+00 |GRAD(Rho)| 0.8060986E-13 GRAD(Rho)x -0.1129707E-13 GRAD(Rho)y 0.5908829E-13 GRAD(Rho)z -0.5365538E-13 Laplacian 0.6551354E+00 (-1/4)Del**2(Rho)) -0.1637838E+00 Diamond 0.1380929E+01 Metallicity 0.4707822E+01 Ellipticity 0.1444227E-01 Gb(Abramov) 0.2377001E+00 Vb(Abramov) -0.3116163E+00 Hb(Abramov) -0.7391625E-01 Ex_ueg -0.6152931E-01 Ec_ueg -0.8768737E-02 Delta_ex -0.7092644E-01 Delta_ec 0.1647204E-01 Delta_et -0.2202389E+00 Pxc 0.7016895E+01 Qxc -0.4305869E+01 3,-1 185 3 -1 1.978978 2.953314 -0.829161 Rho 0.1334053E+00 |GRAD(Rho)| 0.1988252E-12 GRAD(Rho)x -0.1092788E-12 GRAD(Rho)y 0.8141552E-13 GRAD(Rho)z -0.1447796E-12 Laplacian 0.5314921E+00 (-1/4)Del**2(Rho)) -0.1328730E+00 Diamond 0.9409687E+00 Metallicity 0.4515834E+01 Ellipticity 0.1884489E-01 Gb(Abramov) 0.1885874E+00 Vb(Abramov) -0.2443019E+00 Hb(Abramov) -0.5571442E-01 Ex_ueg -0.5034415E-01 Ec_ueg -0.7389833E-02 Delta_ex -0.5553112E-01 Delta_ec 0.1398930E-01 Delta_et -0.1832203E+00 Pxc 0.6812624E+01 Qxc -0.3969542E+01 3,-1 186 3 -1 1.181381 -1.802894 -2.579256 Rho 0.3037375E+00 |GRAD(Rho)| 0.5638955E-15 GRAD(Rho)x 0.1293792E-15 GRAD(Rho)y 0.2937320E-15 GRAD(Rho)z 0.4636385E-15 Laplacian -0.1504680E+01 (-1/4)Del**2(Rho)) 0.3761699E+00 Diamond 0.5078666E+01 Metallicity -0.6285402E+01 Ellipticity 0.3018221E-02 Gb(Abramov) 0.1432832E+00 Vb(Abramov) -0.6627364E+00 Hb(Abramov) -0.5194531E+00 Ex_ueg -0.1507936E+00 Ec_ueg -0.1895647E-01 Delta_ex 0.1462550E+00 Delta_ec 0.5347262E-01 Delta_et -0.1238953E+01 Pxc 0.7954729E+01 Qxc 0.2735139E+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 78 77 72 146 130 81 86 117 151 163 173 149 122 148 182 127 129 174 126 172 142 128 97 167 94 131 95 135 105 184 181 179 185 106 125 137 178 57 115 59 111 110 114 108 113 168 64 150 171 112 60 158 170 161 67 136 140 159 153 157 155 183 165 176 152 175 164 177 156 166 83 74 133 186 80 96 180 160 162 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 2.482519 1.985539 1.898819 1.970308 1.916644 1.719335 1.562589 1.536509 1.567537 1.574847 2.401683 1.970238 1.912856 1.949976 1.915096 1.728895 2.421681 1.896931 1.928951 1.949773 1.958141 1.730148 2.471740 1.945593 1.802449 2.069804 1.976218 1.736894 2.517767 1.898540 1.929739 1.919638 1.968539 1.728108 2.445926 1.917447 1.959906 1.919527 1.936640 1.729673 2.377764 1.927162 1.983720 1.883527 1.967169 1.731493 2.450498 1.959939 1.893857 2.021561 1.918181 1.719508 2.474039 1.932534 1.890529 1.969794 1.934639 1.729183 2.479559 1.964231 1.982229 1.867929 1.917534 1.730397 2.536597 1.924788 1.905240 1.963121 1.939616 1.729899 3.286203 3.115968 3.213885 1.009994 1.750674 1.659905 1.004933 1.780644 1.004103 2.483522 1.986126 1.899430 1.971157 1.917428 1.719348 1.562633 1.536613 1.567588 1.574860 2.403022 1.970616 1.913309 1.950605 1.915656 1.728897 2.422807 1.897350 1.929311 1.950396 1.958777 1.730151 2.472736 1.945921 1.802574 2.070386 1.976831 1.736913 2.518774 1.898920 1.930123 1.920209 1.969173 1.728110 2.446986 1.917894 1.960252 1.920099 1.937234 1.729677 2.379241 1.927658 1.984158 1.884099 1.968419 1.731495 2.451651 1.960506 1.894383 2.022350 1.919655 1.719518 2.475035 1.932966 1.891010 1.970427 1.935239 1.729187 2.480733 1.964624 1.982635 1.868407 1.918084 1.730402 2.537479 1.925302 1.906392 1.963714 1.940222 1.729903 3.324007 3.117808 3.216784 1.010089 1.751899 1.663823 1.005046 1.787153 1.004248 29 28 25 23 26 23 24 21 21 21 27 23 25 23 23 20 30 26 23 26 23 20 29 23 23 29 24 21 29 23 23 23 23 22 27 23 23 23 23 21 27 25 23 25 23 21 27 23 25 24 23 21 29 25 26 23 23 21 29 23 25 23 23 24 29 25 23 23 23 21 35 33 35 18 25 23 17 24 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Mo P W W W W W W Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.3550 2.3557 2.5065 2.5157 2.4351 2.5051 2.4987 2.4789 2.3836 2.4978 2.4843 2.4856 -1.0464 -0.9813 -1.0510 -1.0638 -0.9502 -0.9683 -0.9189 -0.9562 -0.7595 -0.9539 -0.9164 -0.9212 -0.9519 -0.9241 -0.9545 -0.8949 -0.9482 -0.9324 -0.9604 -0.9558 -0.9228 -0.9585 -0.9606 -0.7240 -0.8277 -0.9579 -0.9242 -0.9542 -0.6810 -0.7618 -0.7524 -0.7603 -0.7801 -0.7569 -0.7579 -0.7597 -0.6782 -0.7583 -0.7624 0.3035 0.3410 0.3018 1.9527 2.5026 2.0846 2.0820 2.1081 2.0839 2.0853 2.1050 1.9677 2.0830 2.0890 2.0935 1.8945 1.8962 1.8935 1.8918 1.9346 1.9329 1.9371 1.9341 1.8805 1.9345 1.9411 1.9376 1.9344 1.9392 1.9342 1.9584 1.9476 1.9463 1.9441 1.9451 1.9462 1.9450 1.9450 1.8840 1.8828 1.9452 1.9476 1.9454 1.9829 1.9701 1.9719 1.9707 1.9679 1.9724 1.9713 1.9701 1.9821 1.9715 1.9707 0.5477 0.5111 0.5317 6.0696 7.3100 6.0853 6.0833 6.1054 6.0886 6.0871 6.0992 6.0558 6.0868 6.0928 6.1007 5.1121 5.0447 5.1183 5.1321 4.9846 5.0046 4.9539 4.9915 4.8466 4.9895 4.9470 4.9548 4.9874 4.9569 4.9896 4.9030 4.9689 4.9541 4.9837 4.9779 4.9458 4.9816 4.9827 4.8098 4.9126 4.9804 4.9462 4.9756 4.6629 4.7546 4.7430 4.7524 4.7761 4.7470 4.7493 4.7527 4.6610 4.7494 4.7545 0.1489 0.1479 0.1665 3.6227 0.8317 3.2944 3.2896 3.3228 3.2931 3.2997 3.2877 3.5929 3.3032 3.3048 3.2913 0.0398 0.0404 0.0393 0.0400 0.0309 0.0308 0.0279 0.0307 0.0324 0.0298 0.0283 0.0288 0.0302 0.0281 0.0307 0.0336 0.0318 0.0320 0.0326 0.0328 0.0308 0.0319 0.0329 0.0302 0.0323 0.0323 0.0305 0.0332 0.0352 0.0371 0.0375 0.0372 0.0360 0.0375 0.0373 0.0369 0.0351 0.0373 0.0372 0.0000 0.0000 0.0000 0.0000 0.0000 14.0293 14.0294 14.0286 14.0293 14.0292 14.0291 0.0000 14.0292 14.0291 14.0288 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Mo P W W W W W W Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 3.183522 2.004937 2.526520 2.524374 2.494961 2.521203 2.520738 2.532638 3.195677 2.518546 2.518025 2.520144 -1.066027 -1.017647 -1.034538 -1.042696 -0.941737 -0.949698 -1.053004 -0.944487 -0.606991 -0.947035 -1.059555 -1.046057 -0.942516 -1.066130 -0.946673 -0.744906 -0.927348 -1.010815 -0.931734 -0.927620 -1.034115 -0.923049 -0.928848 -0.697655 -0.554907 -0.928885 -1.047497 -0.923813 -0.947804 -0.793497 -0.778244 -0.788101 -0.814113 -0.782383 -0.784842 -0.787138 -0.943542 -0.784749 -0.789674 0.060952 0.065647 0.052183 2.371795 1.561965 1.957244 1.946197 1.924219 1.946305 1.948998 1.958061 2.352421 1.949661 1.951517 1.949264 -0.807996 -0.781840 -0.761873 -0.769911 -0.699313 -0.718192 -0.800085 -0.711035 -0.721219 -0.714884 -0.794685 -0.811187 -0.708627 -0.809690 -0.707787 -0.616713 -0.764592 -0.831641 -0.749218 -0.753131 -0.838504 -0.730265 -0.750163 -0.796073 -0.735547 -0.755751 -0.840564 -0.751293 -0.712747 -0.673745 -0.665908 -0.680332 -0.701946 -0.672263 -0.673988 -0.661072 -0.694329 -0.672206 -0.675747 0.346374 0.277455 0.274585 2.455907 1.534094 2.054689 2.046731 2.013131 2.046120 2.047533 2.081461 2.520049 2.049644 2.050228 2.049424 -0.841257 -0.858353 -0.812439 -0.822015 -0.779495 -0.796583 -0.871864 -0.786491 -0.763474 -0.789570 -0.884232 -0.876834 -0.790210 -0.907473 -0.780964 -0.700160 -0.802414 -0.901665 -0.796212 -0.786997 -0.873700 -0.775283 -0.785418 -0.876621 -0.810210 -0.792172 -0.887037 -0.787314 -0.674525 -0.655096 -0.634220 -0.647607 -0.670025 -0.639944 -0.642713 -0.643100 -0.700181 -0.639376 -0.641617 0.498753 0.337945 0.339154 -1.25568907 -1.84617643 -2.33315729 3.22935681 -14.70693321 2.59269244 2.80872583 7.76944037 7.94964246 6.93749284 -389.6693 402.9374 -64.2955 -386.5172 -18.7074 -456.2520 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 Apr01-2024 18:10:24 Nodes: 1 Procs: 1 0 Apr01-2024 18:10:25 Nodes: 1 Procs: 1 Apr01-2024 18:10:25 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr01-2024 18:10:26 Nodes: 1 Procs: 1 Apr01-2024 18:10:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr01-2024 18:10:27 Nodes: 1 Procs: 1 Apr01-2024 18:10:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr01-2024 18:10:28 Nodes: 1 Procs: 1 Apr01-2024 18:10:29 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr01-2024 18:10:31 Nodes: 1 Procs: 24 *** (NO TITLE) *** -4 -16.10182415 -16.56891882 -16.20991149 -16.56879755 -16.70676989 -16.73466354 -16.74848054 -16.74968643 -16.75513458 -16.75801528 -16.76058557 -16.76363047 -16.76281143 -16.76465510 -16.76589642 -16.76620564 -16.76642338 -16.76655575 -16.76664794 -16.76671202 -16.76680563 -16.76685208 -16.76688732 -16.76691672 -16.76692929 -16.76694208 -16.76695187 GEOMETRY CONVERGED