ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 00:02:57 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 0.02 0.41 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 Mar07-2024 00:02:57 Nodes: 1 Procs: 1 Mar07-2024 00:02:58 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 00:02:58 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.03 0.67 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Mar07-2024 00:02:57 Nodes: 1 Procs: 1 Mar07-2024 00:02:58 Nodes: 1 Procs: 1 0 Mar07-2024 00:02:58 Nodes: 1 Procs: 1 Mar07-2024 00:02:59 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 00:02:59 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.02 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 Mar07-2024 00:02:57 Nodes: 1 Procs: 1 Mar07-2024 00:02:58 Nodes: 1 Procs: 1 0 Mar07-2024 00:02:58 Nodes: 1 Procs: 1 Mar07-2024 00:02:59 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar07-2024 00:02:59 Nodes: 1 Procs: 1 Mar07-2024 00:03:00 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 00:03:01 Hydrogen (TZP) kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar07-2024 00:02:57 Nodes: 1 Procs: 1 Mar07-2024 00:02:58 Nodes: 1 Procs: 1 0 Mar07-2024 00:02:58 Nodes: 1 Procs: 1 Mar07-2024 00:02:59 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar07-2024 00:02:59 Nodes: 1 Procs: 1 Mar07-2024 00:03:00 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar07-2024 00:03:01 Nodes: 1 Procs: 1 Mar07-2024 00:03:01 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 00:03:02 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 1707.4020999999973 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0.229777 -3.812170 3.674769 -0.159072 -3.912547 -3.583100 0.248926 -3.704193 0.287603 -3.629968 -3.674266 -0.217119 3.845062 3.628517 0.216442 3.835626 -0.624621 -3.360897 -1.231493 1 3 -3 0.097021 -2.649744 2.473507 Rho 0.1240650E+06 3,-3 2 3 -3 0.122267 2.564855 -2.396775 Rho 0.1240650E+06 3,-3 3 3 -3 -0.050554 2.617150 2.387645 Rho 0.1240650E+06 3,-3 4 3 -3 2.412631 -2.529081 -0.044191 Rho 0.1240649E+06 3,-3 5 3 -3 2.714938 2.429342 -0.157335 Rho 0.1240650E+06 3,-3 6 3 -3 -2.666750 2.378601 0.134543 Rho 0.1240649E+06 3,-3 7 3 -3 -2.669536 -2.418728 -0.143686 Rho 0.1240651E+06 3,-3 8 3 -3 -2.313924 -0.320979 -2.728369 Rho 0.1240648E+06 3,-3 9 3 -3 -2.420087 0.145881 2.684305 Rho 0.1240650E+06 3,-3 10 3 -3 2.469952 -0.207675 2.599301 Rho 0.1240650E+06 3,-3 11 3 -3 2.362971 0.006194 -2.704308 Rho 0.1240650E+06 3,-3 12 3 -3 -0.069228 -0.036448 -0.041087 Rho 0.1943320E+04 3,-3 13 3 -3 0.878368 -1.041675 0.887536 Rho 0.3186996E+03 3,-3 14 3 -3 -1.114326 -0.912074 -0.964163 Rho 0.3186731E+03 3,-3 15 3 -3 0.943572 0.885429 -0.990346 Rho 0.3187065E+03 3,-3 16 3 -3 -0.951658 0.954602 0.967245 Rho 0.3187019E+03 3,-3 17 3 -3 -3.000607 -1.117848 1.171876 Rho 0.3190377E+03 3,-3 18 3 -3 2.966317 -1.116940 -1.164370 Rho 0.3189847E+03 3,-3 19 3 -3 -3.059876 1.155571 -1.109342 Rho 0.3192407E+03 3,-3 20 3 -3 3.016133 1.174706 1.188028 Rho 0.3190154E+03 3,-3 21 3 -3 1.263593 -1.200922 -3.306181 Rho 0.3194661E+03 3,-3 22 3 -3 1.075698 1.141195 2.935881 Rho 0.3190065E+03 3,-3 23 3 -3 -1.072778 1.093055 -3.000873 Rho 0.3189744E+03 3,-3 24 3 -3 -1.140732 -1.153827 3.075290 Rho 0.3190362E+03 3,-3 25 3 -3 -1.155240 2.983570 -1.094615 Rho 0.3190329E+03 3,-3 26 3 -3 -1.207589 -3.026682 1.232483 Rho 0.3190835E+03 3,-3 27 3 -3 1.177377 3.087878 1.105772 Rho 0.3190771E+03 3,-3 28 3 -3 1.184378 -3.250942 -1.081821 Rho 0.3193600E+03 3,-3 29 3 -3 3.384303 -1.454398 1.590674 Rho 0.3191545E+03 3,-3 30 3 -3 -3.490996 -1.581832 -1.608972 Rho 0.3190787E+03 3,-3 31 3 -3 3.527608 1.563003 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-3.912547 -3.583100 0.248926 Rho 0.3193880E+03 3,-3 49 3 -3 -3.704193 0.287603 -3.629968 Rho 0.3193275E+03 3,-3 50 3 -3 -3.674266 -0.217119 3.845062 Rho 0.3193827E+03 3,-3 51 3 -3 3.628517 0.216442 3.835626 Rho 0.3193763E+03 3,-3 52 3 -3 -0.624621 -3.360897 -1.231493 Rho 0.4428166E+00 3,-3 53 3 +1 0.212327 -1.946805 -0.779584 Rho 0.5480413E-02 |GRAD(Rho)| 0.4670681E-12 GRAD(Rho)x 0.2811934E-12 GRAD(Rho)y 0.3255230E-12 GRAD(Rho)z -0.1819827E-12 Laplacian 0.2126297E-01 (-1/4)Del**2(Rho)) -0.5315743E-02 Diamond 0.5149110E-03 Metallicity 0.5520918E+00 Ellipticity -0.2600443E+01 Gb(Abramov) 0.4032958E-02 Vb(Abramov) -0.2750174E-02 Hb(Abramov) 0.1282785E-02 Ex_ueg -0.7136240E-03 Ec_ueg -0.1676451E-03 Delta_ex -0.1038350E-02 Delta_ec 0.6020045E-03 Delta_et -0.3387635E-02 Pxc 0.4256753E+01 Qxc -0.1724820E+01 3,+1 54 3 +1 -2.828328 -0.220769 -0.251403 Rho 0.5574343E-02 |GRAD(Rho)| 0.6181638E-17 GRAD(Rho)x -0.2166068E-17 GRAD(Rho)y 0.4469237E-17 GRAD(Rho)z 0.3680586E-17 Laplacian 0.2300834E-01 (-1/4)Del**2(Rho)) -0.5752084E-02 Diamond 0.4606591E-03 Metallicity 0.5248688E+00 Ellipticity -0.1362960E+01 Gb(Abramov) 0.4337904E-02 Vb(Abramov) -0.2923724E-02 Hb(Abramov) 0.1414180E-02 Ex_ueg -0.7299783E-03 Ec_ueg -0.1717122E-03 Delta_ex -0.1039580E-02 Delta_ec 0.4945100E-03 Delta_et -0.2866382E-02 Pxc 0.4251172E+01 Qxc -0.2102243E+01 3,+1 55 3 -1 -3.086068 -1.967965 -0.923659 Rho 0.1605885E+00 |GRAD(Rho)| 0.5423732E-16 GRAD(Rho)x 0.2696953E-17 GRAD(Rho)y 0.3472157E-16 GRAD(Rho)z -0.4157915E-16 Laplacian 0.6027919E+00 (-1/4)Del**2(Rho)) -0.1506980E+00 Diamond 0.1333569E+01 Metallicity 0.5423793E+01 Ellipticity 0.8551795E-01 Gb(Abramov) 0.2366911E+00 Vb(Abramov) -0.3226842E+00 Hb(Abramov) -0.8599312E-01 Ex_ueg -0.6446702E-01 Ec_ueg -0.9124740E-02 Delta_ex -0.6590397E-01 Delta_ec 0.1516012E-01 Delta_et -0.2039712E+00 Pxc 0.7065081E+01 Qxc -0.4347195E+01 3,-1 56 3 +1 0.030212 -3.074338 0.110400 Rho 0.5055212E-02 |GRAD(Rho)| 0.6494970E-17 GRAD(Rho)x -0.5759824E-17 GRAD(Rho)y 0.4472334E-18 GRAD(Rho)z 0.2968003E-17 Laplacian 0.2018604E-01 (-1/4)Del**2(Rho)) -0.5046510E-02 Diamond 0.4752697E-03 Metallicity 0.5083089E+00 Ellipticity -0.3049809E+01 Gb(Abramov) 0.3791871E-02 Vb(Abramov) -0.2537232E-02 Hb(Abramov) 0.1254639E-02 Ex_ueg -0.6407731E-03 Ec_ueg -0.1492896E-03 Delta_ex -0.1003499E-02 Delta_ec 0.6316053E-03 Delta_et -0.3443107E-02 Pxc 0.4292149E+01 Qxc -0.1588806E+01 3,+1 57 3 -1 -2.822591 -1.728879 0.558054 Rho 0.1542685E+00 |GRAD(Rho)| 0.1057057E-12 GRAD(Rho)x 0.6198076E-14 GRAD(Rho)y -0.7481697E-13 GRAD(Rho)z -0.7441567E-13 Laplacian 0.6307060E+00 (-1/4)Del**2(Rho)) -0.1576765E+00 Diamond 0.1298884E+01 Metallicity 0.4848214E+01 Ellipticity 0.3184313E-01 Gb(Abramov) 0.2325259E+00 Vb(Abramov) -0.3073753E+00 Hb(Abramov) -0.7484940E-01 Ex_ueg -0.6110661E-01 Ec_ueg -0.8717319E-02 Delta_ex -0.6798038E-01 Delta_ec 0.1549597E-01 Delta_et -0.2061260E+00 Pxc 0.7009794E+01 Qxc -0.4386971E+01 3,-1 58 3 +1 -0.259200 -0.929102 -2.586928 Rho 0.3870457E-02 |GRAD(Rho)| 0.3050354E-12 GRAD(Rho)x -0.2147124E-12 GRAD(Rho)y -0.1044335E-12 GRAD(Rho)z -0.1898390E-12 Laplacian 0.1526379E-01 (-1/4)Del**2(Rho)) -0.3815948E-02 Diamond 0.1834761E-03 Metallicity 0.4307458E+00 Ellipticity -0.1316408E+01 Gb(Abramov) 0.2817916E-02 Vb(Abramov) -0.1819884E-02 Hb(Abramov) 0.9980320E-03 Ex_ueg -0.4488156E-03 Ec_ueg -0.9863256E-04 Delta_ex -0.6330288E-03 Delta_ec 0.3199772E-03 Delta_et -0.1675075E-02 Pxc 0.4550380E+01 Qxc -0.1978356E+01 3,+1 59 3 +3 1.120978 1.093163 1.011941 Rho 0.4412816E-02 |GRAD(Rho)| 0.1147871E-13 GRAD(Rho)x 0.3013923E-15 GRAD(Rho)y -0.1142496E-13 GRAD(Rho)z 0.1067857E-14 Laplacian 0.1718177E-01 (-1/4)Del**2(Rho)) -0.4295442E-02 Diamond 0.1086231E-03 Metallicity 0.4761441E+00 Ellipticity -0.3686621E+00 Gb(Abramov) 0.3204503E-02 Vb(Abramov) -0.2113564E-02 Hb(Abramov) 0.1090939E-02 Ex_ueg -0.5345720E-03 Ec_ueg -0.1217321E-03 Delta_ex -0.5816802E-03 Delta_ec 0.9035100E-04 Delta_et -0.6569647E-03 Pxc 0.4391382E+01 Qxc -0.6438005E+01 3,+3 60 3 +1 -2.279855 -1.211664 -1.330068 Rho 0.3049412E-01 |GRAD(Rho)| 0.4809135E-16 GRAD(Rho)x -0.3904224E-16 GRAD(Rho)y -0.2040498E-16 GRAD(Rho)z -0.1929037E-16 Laplacian 0.1229131E+00 (-1/4)Del**2(Rho)) -0.3072828E-01 Diamond 0.2098466E-01 Metallicity 0.1668687E+01 Ellipticity -0.4522913E+01 Gb(Abramov) 0.2903150E-01 Vb(Abramov) -0.2733473E-01 Hb(Abramov) 0.1696777E-02 Ex_ueg -0.7036226E-02 Ec_ueg -0.1369122E-02 Delta_ex -0.8051165E-02 Delta_ec 0.2063182E-02 Delta_et -0.1910465E-01 Pxc 0.5139224E+01 Qxc -0.3902304E+01 3,+1 61 3 -1 -2.072348 -3.040824 -0.715460 Rho 0.1305161E+00 |GRAD(Rho)| 0.9547643E-16 GRAD(Rho)x -0.1451476E-16 GRAD(Rho)y -0.5356636E-16 GRAD(Rho)z -0.7768986E-16 Laplacian 0.4742497E+00 (-1/4)Del**2(Rho)) -0.1185624E+00 Diamond 0.8274580E+00 Metallicity 0.4879549E+01 Ellipticity 0.1180315E+00 Gb(Abramov) 0.1754635E+00 Vb(Abramov) -0.2323645E+00 Hb(Abramov) -0.5690106E-01 Ex_ueg -0.4889569E-01 Ec_ueg -0.7208192E-02 Delta_ex -0.4940491E-01 Delta_ec 0.1275435E-01 Delta_et -0.1668390E+00 Pxc 0.6783351E+01 Qxc -0.3873574E+01 3,-1 62 3 -1 -1.899557 -2.722633 0.574570 Rho 0.8952043E-01 |GRAD(Rho)| 0.1174556E-13 GRAD(Rho)x 0.1084237E-13 GRAD(Rho)y 0.3856048E-14 GRAD(Rho)z 0.2352065E-14 Laplacian 0.3688698E+00 (-1/4)Del**2(Rho)) -0.9221744E-01 Diamond 0.4021379E+00 Metallicity 0.3346651E+01 Ellipticity 0.6557567E-02 Gb(Abramov) 0.1129149E+00 Vb(Abramov) -0.1336123E+00 Hb(Abramov) -0.2069745E-01 Ex_ueg -0.2957658E-01 Ec_ueg -0.4694738E-02 Delta_ex -0.3505465E-01 Delta_ec 0.1056332E-01 Delta_et -0.1282987E+00 Pxc 0.6299943E+01 Qxc -0.3318526E+01 3,-1 63 3 +3 -0.155915 -2.383650 -0.175592 Rho 0.3820449E-02 |GRAD(Rho)| 0.3230731E-12 GRAD(Rho)x -0.1745713E-12 GRAD(Rho)y -0.2080450E-12 GRAD(Rho)z -0.1749810E-12 Laplacian 0.1555894E-01 (-1/4)Del**2(Rho)) -0.3889736E-02 Diamond 0.9090718E-04 Metallicity 0.4135142E+00 Ellipticity -0.1661151E+00 Gb(Abramov) 0.2861234E-02 Vb(Abramov) -0.1832732E-02 Hb(Abramov) 0.1028502E-02 Ex_ueg -0.4411006E-03 Ec_ueg -0.9651051E-04 Delta_ex -0.5200420E-03 Delta_ec 0.1057471E-03 Delta_et -0.6881888E-03 Pxc 0.4570492E+01 Qxc -0.4917791E+01 3,+3 64 3 -1 1.295029 -2.168712 -2.146190 Rho 0.7382932E-02 |GRAD(Rho)| 0.5529443E-15 GRAD(Rho)x 0.4306849E-15 GRAD(Rho)y -0.3372911E-15 GRAD(Rho)z 0.8057729E-16 Laplacian 0.3015319E-01 (-1/4)Del**2(Rho)) -0.7538297E-02 Diamond 0.1568556E-02 Metallicity 0.6397270E+00 Ellipticity 0.5107904E+00 Gb(Abramov) 0.5829273E-02 Vb(Abramov) -0.4120250E-02 Hb(Abramov) 0.1709024E-02 Ex_ueg -0.1061753E-02 Ec_ueg -0.2508587E-03 Delta_ex -0.1829871E-02 Delta_ec 0.1324495E-02 Delta_et -0.7940537E-02 Pxc 0.4232475E+01 Qxc -0.1381561E+01 3,-1 65 3 +1 -0.669707 -1.707346 0.474848 Rho 0.8143288E-02 |GRAD(Rho)| 0.1501796E-13 GRAD(Rho)x -0.1417025E-13 GRAD(Rho)y -0.3277325E-14 GRAD(Rho)z -0.3741987E-14 Laplacian 0.3207792E-01 (-1/4)Del**2(Rho)) -0.8019481E-02 Diamond 0.7964622E-03 Metallicity 0.7080652E+00 Ellipticity -0.1413808E+01 Gb(Abramov) 0.6292706E-02 Vb(Abramov) -0.4565932E-02 Hb(Abramov) 0.1726774E-02 Ex_ueg -0.1209998E-02 Ec_ueg -0.2845921E-03 Delta_ex -0.1445157E-02 Delta_ec 0.4509722E-03 Delta_et -0.3039696E-02 Pxc 0.4251693E+01 Qxc -0.3204537E+01 3,+1 66 3 +1 -1.769339 -1.739344 1.809217 Rho 0.1152091E-01 |GRAD(Rho)| 0.6932461E-17 GRAD(Rho)x -0.9605883E-18 GRAD(Rho)y 0.3741133E-17 GRAD(Rho)z -0.5756754E-17 Laplacian 0.5598486E-01 (-1/4)Del**2(Rho)) -0.1399622E-01 Diamond 0.2105252E-02 Metallicity 0.7233593E+00 Ellipticity -0.1255643E+01 Gb(Abramov) 0.1101819E-01 Vb(Abramov) -0.8040169E-02 Hb(Abramov) 0.2978023E-02 Ex_ueg -0.1921768E-02 Ec_ueg -0.4374981E-03 Delta_ex -0.2717590E-02 Delta_ec 0.7178579E-03 Delta_et -0.5336187E-02 Pxc 0.4392632E+01 Qxc -0.3785694E+01 3,+1 67 3 -1 -0.839169 -3.419046 -1.234592 Rho 0.3203749E+00 |GRAD(Rho)| 0.4140741E-15 GRAD(Rho)x 0.2595838E-15 GRAD(Rho)y 0.7037150E-17 GRAD(Rho)z -0.3225277E-15 Laplacian -0.1660272E+01 (-1/4)Del**2(Rho)) 0.4150679E+00 Diamond 0.5753726E+01 Metallicity -0.6225845E+01 Ellipticity 0.4509354E-02 Gb(Abramov) 0.1539794E+00 Vb(Abramov) -0.7230268E+00 Hb(Abramov) -0.5690473E+00 Ex_ueg -0.1619061E+00 Ec_ueg -0.2017257E-01 Delta_ex 0.1656164E+00 Delta_ec 0.5755793E-01 Delta_et -0.1368296E+01 Pxc 0.8026049E+01 Qxc 0.2877387E+01 3,-1 68 3 +3 -1.115629 -1.117412 1.150037 Rho 0.4784144E-02 |GRAD(Rho)| 0.7315177E-12 GRAD(Rho)x 0.3047578E-13 GRAD(Rho)y 0.7305548E-12 GRAD(Rho)z -0.2188532E-13 Laplacian 0.1888929E-01 (-1/4)Del**2(Rho)) -0.4722322E-02 Diamond 0.1273230E-03 Metallicity 0.4955314E+00 Ellipticity -0.2347996E+00 Gb(Abramov) 0.3538225E-02 Vb(Abramov) -0.2354127E-02 Hb(Abramov) 0.1184098E-02 Ex_ueg -0.5953751E-03 Ec_ueg -0.1376355E-03 Delta_ex -0.6477765E-03 Delta_ec 0.8874372E-04 Delta_et -0.6811532E-03 Pxc 0.4325739E+01 Qxc -0.7299406E+01 3,+3 69 3 +1 -0.534070 -0.553417 1.699958 Rho 0.8020939E-02 |GRAD(Rho)| 0.1137868E-16 GRAD(Rho)x 0.6653927E-17 GRAD(Rho)y 0.2839460E-17 GRAD(Rho)z -0.8782766E-17 Laplacian 0.3181127E-01 (-1/4)Del**2(Rho)) -0.7952818E-02 Diamond 0.7733797E-03 Metallicity 0.6962109E+00 Ellipticity -0.1400085E+01 Gb(Abramov) 0.6224685E-02 Vb(Abramov) -0.4496552E-02 Hb(Abramov) 0.1728133E-02 Ex_ueg -0.1185820E-02 Ec_ueg -0.2791463E-03 Delta_ex -0.1427521E-02 Delta_ec 0.4469174E-03 Delta_et -0.3000872E-02 Pxc 0.4248023E+01 Qxc -0.3194150E+01 3,+1 70 3 -1 -0.082496 0.044334 2.945841 Rho 0.6137536E-02 |GRAD(Rho)| 0.2254257E-16 GRAD(Rho)x 0.1703327E-16 GRAD(Rho)y 0.1470726E-16 GRAD(Rho)z -0.1315838E-17 Laplacian 0.2479630E-01 (-1/4)Del**2(Rho)) -0.6199075E-02 Diamond 0.8815962E-03 Metallicity 0.5717633E+00 Ellipticity 0.2210060E+01 Gb(Abramov) 0.4723451E-02 Vb(Abramov) -0.3247826E-02 Hb(Abramov) 0.1475624E-02 Ex_ueg -0.8299344E-03 Ec_ueg -0.1961893E-03 Delta_ex -0.1367965E-02 Delta_ec 0.9318580E-03 Delta_et -0.5322051E-02 Pxc 0.4230273E+01 Qxc -0.1467997E+01 3,-1 71 3 +1 -0.242707 -0.502279 -3.171854 Rho 0.4414608E-02 |GRAD(Rho)| 0.1196113E-16 GRAD(Rho)x -0.3823672E-17 GRAD(Rho)y 0.1100010E-16 GRAD(Rho)z 0.2728736E-17 Laplacian 0.1750188E-01 (-1/4)Del**2(Rho)) -0.4375470E-02 Diamond 0.2824253E-03 Metallicity 0.4677517E+00 Ellipticity -0.1649794E+01 Gb(Abramov) 0.3258086E-02 Vb(Abramov) -0.2140701E-02 Hb(Abramov) 0.1117385E-02 Ex_ueg -0.5348614E-03 Ec_ueg -0.1218086E-03 Delta_ex -0.7808302E-03 Delta_ec 0.4281334E-03 Delta_et -0.2289986E-02 Pxc 0.4390997E+01 Qxc -0.1823801E+01 3,+1 72 3 +3 -0.061260 -0.417745 -2.433602 Rho 0.3755300E-02 |GRAD(Rho)| 0.1486260E-14 GRAD(Rho)x 0.4106100E-15 GRAD(Rho)y 0.1052403E-14 GRAD(Rho)z 0.9658242E-15 Laplacian 0.1495035E-01 (-1/4)Del**2(Rho)) -0.3737587E-02 Diamond 0.1309234E-03 Metallicity 0.4181861E+00 Ellipticity -0.8446998E+00 Gb(Abramov) 0.2752226E-02 Vb(Abramov) -0.1766865E-02 Hb(Abramov) 0.9853613E-03 Ex_ueg -0.4310999E-03 Ec_ueg -0.9374794E-04 Delta_ex -0.5594646E-03 Delta_ec 0.2123161E-03 Delta_et -0.1164571E-02 Pxc 0.4598500E+01 Qxc -0.2635055E+01 3,+3 73 3 +1 -0.521828 0.475800 -1.679400 Rho 0.9836436E-02 |GRAD(Rho)| 0.1422084E-13 GRAD(Rho)x -0.1152240E-13 GRAD(Rho)y -0.7980792E-14 GRAD(Rho)z -0.2402821E-14 Laplacian 0.4001072E-01 (-1/4)Del**2(Rho)) -0.1000268E-01 Diamond 0.1239418E-02 Metallicity 0.7777377E+00 Ellipticity -0.1414489E+01 Gb(Abramov) 0.7965030E-02 Vb(Abramov) -0.5927380E-02 Hb(Abramov) 0.2037650E-02 Ex_ueg -0.1556570E-02 Ec_ueg -0.3606358E-03 Delta_ex -0.1873883E-02 Delta_ec 0.5316306E-03 Delta_et -0.3785125E-02 Pxc 0.4316184E+01 Qxc -0.3524783E+01 3,+1 74 3 +3 -1.172095 1.096179 -1.111045 Rho 0.5034069E-02 |GRAD(Rho)| 0.2176872E-13 GRAD(Rho)x -0.1244072E-13 GRAD(Rho)y -0.1336485E-13 GRAD(Rho)z 0.1185270E-13 Laplacian 0.1982279E-01 (-1/4)Del**2(Rho)) -0.4955698E-02 Diamond 0.1369230E-03 Metallicity 0.5140203E+00 Ellipticity -0.8406192E-01 Gb(Abramov) 0.3728354E-02 Vb(Abramov) -0.2501009E-02 Hb(Abramov) 0.1227345E-02 Ex_ueg -0.6372022E-03 Ec_ueg -0.1483792E-03 Delta_ex -0.6835799E-03 Delta_ec 0.8272106E-04 Delta_et -0.6689192E-03 Pxc 0.4294417E+01 Qxc -0.8263674E+01 3,+3 75 3 +1 -1.725188 -0.455151 0.558756 Rho 0.9417143E-02 |GRAD(Rho)| 0.5815686E-17 GRAD(Rho)x -0.4532205E-17 GRAD(Rho)y -0.4584169E-18 GRAD(Rho)z 0.3615408E-17 Laplacian 0.3818291E-01 (-1/4)Del**2(Rho)) -0.9545728E-02 Diamond 0.1151223E-02 Metallicity 0.7578957E+00 Ellipticity -0.1435242E+01 Gb(Abramov) 0.7569596E-02 Vb(Abramov) -0.5593465E-02 Hb(Abramov) 0.1976132E-02 Ex_ueg -0.1468737E-02 Ec_ueg -0.3416880E-03 Delta_ex -0.1782962E-02 Delta_ec 0.5335521E-03 Delta_et -0.3735604E-02 Pxc 0.4298473E+01 Qxc -0.3341683E+01 3,+1 76 3 +1 -0.227411 0.196310 2.934614 Rho 0.6101015E-02 |GRAD(Rho)| 0.3895457E-17 GRAD(Rho)x 0.2356105E-17 GRAD(Rho)y 0.3094904E-17 GRAD(Rho)z 0.2119578E-18 Laplacian 0.2528373E-01 (-1/4)Del**2(Rho)) -0.6320933E-02 Diamond 0.7210948E-03 Metallicity 0.5551907E+00 Ellipticity -0.2812017E+01 Gb(Abramov) 0.4798843E-02 Vb(Abramov) -0.3276752E-02 Hb(Abramov) 0.1522091E-02 Ex_ueg -0.8233565E-03 Ec_ueg -0.1945974E-03 Delta_ex -0.1271778E-02 Delta_ec 0.7332021E-03 Delta_et -0.4251391E-02 Pxc 0.4231076E+01 Qxc -0.1734553E+01 3,+1 77 3 +1 0.518037 0.418460 1.635217 Rho 0.8693017E-02 |GRAD(Rho)| 0.2203352E-15 GRAD(Rho)x -0.1884824E-16 GRAD(Rho)y -0.1674435E-15 GRAD(Rho)z -0.1419683E-15 Laplacian 0.3481113E-01 (-1/4)Del**2(Rho)) -0.8702782E-02 Diamond 0.9460033E-03 Metallicity 0.7275217E+00 Ellipticity -0.1422883E+01 Gb(Abramov) 0.6857098E-02 Vb(Abramov) -0.5011415E-02 Hb(Abramov) 0.1845683E-02 Ex_ueg -0.1320117E-02 Ec_ueg -0.3091439E-03 Delta_ex -0.1594937E-02 Delta_ec 0.4903666E-03 Delta_et -0.3360496E-02 Pxc 0.4270235E+01 Qxc -0.3252539E+01 3,+1 78 3 +1 -1.755891 0.548570 -0.466440 Rho 0.9359547E-02 |GRAD(Rho)| 0.1069752E-16 GRAD(Rho)x -0.7440341E-17 GRAD(Rho)y 0.1796717E-17 GRAD(Rho)z -0.7473285E-17 Laplacian 0.3728842E-01 (-1/4)Del**2(Rho)) -0.9322106E-02 Diamond 0.1092744E-02 Metallicity 0.7681815E+00 Ellipticity -0.1430926E+01 Gb(Abramov) 0.7408249E-02 Vb(Abramov) -0.5494392E-02 Hb(Abramov) 0.1913857E-02 Ex_ueg -0.1456772E-02 Ec_ueg -0.3390911E-03 Delta_ex -0.1729557E-02 Delta_ec 0.5051449E-03 Delta_et -0.3543840E-02 Pxc 0.4296106E+01 Qxc -0.3423883E+01 3,+1 79 3 -1 -0.003092 -3.335495 -1.171745 Rho 0.3221079E-01 |GRAD(Rho)| 0.7016805E-16 GRAD(Rho)x -0.6792722E-16 GRAD(Rho)y -0.3585320E-17 GRAD(Rho)z -0.1722189E-16 Laplacian 0.1033938E+00 (-1/4)Del**2(Rho)) -0.2584845E-01 Diamond 0.4525631E-01 Metallicity 0.2173307E+01 Ellipticity 0.1064589E-01 Gb(Abramov) 0.2659507E-01 Vb(Abramov) -0.2734168E-01 Hb(Abramov) -0.7466175E-03 Ex_ueg -0.7569262E-02 Ec_ueg -0.1458196E-02 Delta_ex -0.8905018E-02 Delta_ec 0.5361809E-02 Delta_et -0.5019362E-01 Pxc 0.5190840E+01 Qxc -0.1660823E+01 3,-1 80 3 -1 0.480162 -1.812844 1.655732 Rho 0.4711231E-01 |GRAD(Rho)| 0.1169096E-15 GRAD(Rho)x -0.1593089E-16 GRAD(Rho)y 0.1157835E-15 GRAD(Rho)z 0.2871865E-17 Laplacian 0.1826334E+00 (-1/4)Del**2(Rho)) -0.4565836E-01 Diamond 0.8540457E-01 Metallicity 0.2318766E+01 Ellipticity 0.8180449E-02 Gb(Abramov) 0.4808408E-01 Vb(Abramov) -0.5050980E-01 Hb(Abramov) -0.2425719E-02 Ex_ueg -0.1256698E-01 Ec_ueg -0.2255886E-02 Delta_ex -0.1481071E-01 Delta_ec 0.5445422E-02 Delta_et -0.5653209E-01 Pxc 0.5570752E+01 Qxc -0.2719846E+01 3,-1 81 3 -1 0.799066 -2.038873 2.995445 Rho 0.1075997E+00 |GRAD(Rho)| 0.1796110E-14 GRAD(Rho)x -0.1267927E-14 GRAD(Rho)y -0.1162559E-14 GRAD(Rho)z -0.5165546E-15 Laplacian 0.4193936E+00 (-1/4)Del**2(Rho)) -0.1048484E+00 Diamond 0.5675456E+00 Metallicity 0.3999538E+01 Ellipticity 0.2726578E-01 Gb(Abramov) 0.1397898E+00 Vb(Abramov) -0.1747312E+00 Hb(Abramov) -0.3494140E-01 Ex_ueg -0.3779780E-01 Ec_ueg -0.5787671E-02 Delta_ex -0.4154317E-01 Delta_ec 0.1144382E-01 Delta_et -0.1441042E+00 Pxc 0.6530744E+01 Qxc -0.3630183E+01 3,-1 82 3 -1 -1.687390 -0.604521 -1.805729 Rho 0.7016294E-01 |GRAD(Rho)| 0.2213279E-13 GRAD(Rho)x -0.1911329E-14 GRAD(Rho)y -0.1620287E-13 GRAD(Rho)z 0.1495574E-13 Laplacian 0.2739979E+00 (-1/4)Del**2(Rho)) -0.6849947E-01 Diamond 0.2179509E+00 Metallicity 0.3001780E+01 Ellipticity 0.3863857E-01 Gb(Abramov) 0.7993638E-01 Vb(Abramov) -0.9137328E-01 Hb(Abramov) -0.1143691E-01 Ex_ueg -0.2137283E-01 Ec_ueg -0.3556503E-02 Delta_ex -0.2452699E-01 Delta_ec 0.8034748E-02 Delta_et -0.9225634E-01 Pxc 0.6009508E+01 Qxc -0.3052615E+01 3,-1 83 3 +1 1.165425 -1.271467 2.168429 Rho 0.2349489E-01 |GRAD(Rho)| 0.2327092E-16 GRAD(Rho)x 0.5064220E-17 GRAD(Rho)y -0.3101153E-17 GRAD(Rho)z 0.2250049E-16 Laplacian 0.8697479E-01 (-1/4)Del**2(Rho)) -0.2174370E-01 Diamond 0.1038979E-01 Metallicity 0.1527011E+01 Ellipticity -0.4079840E+01 Gb(Abramov) 0.2002961E-01 Vb(Abramov) -0.1831552E-01 Hb(Abramov) 0.1714089E-02 Ex_ueg -0.4969922E-02 Ec_ueg -0.1013237E-02 Delta_ex -0.5314218E-02 Delta_ec 0.1464558E-02 Delta_et -0.1273524E-01 Pxc 0.4904996E+01 Qxc -0.3628547E+01 3,+1 84 3 -1 -0.213893 -1.342117 -3.512136 Rho 0.6950871E-02 |GRAD(Rho)| 0.1396078E-16 GRAD(Rho)x 0.1356330E-16 GRAD(Rho)y 0.7047314E-18 GRAD(Rho)z 0.3231642E-17 Laplacian 0.2856414E-01 (-1/4)Del**2(Rho)) -0.7141034E-02 Diamond 0.1532136E-02 Metallicity 0.6107415E+00 Ellipticity 0.1770414E+00 Gb(Abramov) 0.5487577E-02 Vb(Abramov) -0.3834120E-02 Hb(Abramov) 0.1653457E-02 Ex_ueg -0.9797246E-03 Ec_ueg -0.2318092E-03 Delta_ex -0.1811650E-02 Delta_ec 0.1427733E-02 Delta_et -0.8354566E-02 Pxc 0.4226427E+01 Qxc -0.1268900E+01 3,-1 85 3 +3 0.685604 -1.449393 -1.518981 Rho 0.2909904E-02 |GRAD(Rho)| 0.1088386E-15 GRAD(Rho)x 0.3002912E-16 GRAD(Rho)y -0.8781741E-16 GRAD(Rho)z -0.5685232E-16 Laplacian 0.1122100E-01 (-1/4)Del**2(Rho)) -0.2805249E-02 Diamond 0.5746830E-04 Metallicity 0.3642332E+00 Ellipticity -0.8590832E+00 Gb(Abramov) 0.2040460E-02 Vb(Abramov) -0.1275671E-02 Hb(Abramov) 0.7647888E-03 Ex_ueg -0.3068244E-03 Ec_ueg -0.5810699E-04 Delta_ex -0.3727474E-03 Delta_ec 0.1176667E-03 Delta_et -0.6404732E-03 Pxc 0.5280336E+01 Qxc -0.3167824E+01 3,+3 86 3 +1 0.184666 -0.228208 2.975274 Rho 0.5947666E-02 |GRAD(Rho)| 0.3805741E-14 GRAD(Rho)x -0.3513330E-14 GRAD(Rho)y 0.3627423E-15 GRAD(Rho)z -0.1417249E-14 Laplacian 0.2498928E-01 (-1/4)Del**2(Rho)) -0.6247321E-02 Diamond 0.6342448E-03 Metallicity 0.5383983E+00 Ellipticity -0.1935550E+01 Gb(Abramov) 0.4725472E-02 Vb(Abramov) -0.3203623E-02 Hb(Abramov) 0.1521849E-02 Ex_ueg -0.7958793E-03 Ec_ueg -0.1879200E-03 Delta_ex -0.1210359E-02 Delta_ec 0.6530665E-03 Delta_et -0.3788972E-02 Pxc 0.4235203E+01 Qxc -0.1853347E+01 3,+1 87 3 -1 0.320387 -0.452955 0.341281 Rho 0.1353633E+00 |GRAD(Rho)| 0.2617954E-15 GRAD(Rho)x -0.1376617E-15 GRAD(Rho)y 0.1865642E-15 GRAD(Rho)z -0.1215724E-15 Laplacian 0.6944533E+00 (-1/4)Del**2(Rho)) -0.1736133E+00 Diamond 0.1492592E+01 Metallicity 0.3541102E+01 Ellipticity 0.7294696E-02 Gb(Abramov) 0.2182060E+00 Vb(Abramov) -0.2627986E+00 Hb(Abramov) -0.4459263E-01 Ex_ueg -0.5133179E-01 Ec_ueg -0.7513246E-02 Delta_ex -0.7557105E-01 Delta_ec 0.2313791E-01 Delta_et -0.3134209E+00 Pxc 0.6832172E+01 Qxc -0.3266113E+01 3,-1 88 3 +3 2.304759 -0.025243 0.074403 Rho 0.4314700E-02 |GRAD(Rho)| 0.3321913E-14 GRAD(Rho)x -0.2452288E-14 GRAD(Rho)y 0.1643065E-14 GRAD(Rho)z -0.1523722E-14 Laplacian 0.1795043E-01 (-1/4)Del**2(Rho)) -0.4487607E-02 Diamond 0.1480250E-03 Metallicity 0.4389914E+00 Ellipticity -0.3296280E+00 Gb(Abramov) 0.3320074E-02 Vb(Abramov) -0.2152542E-02 Hb(Abramov) 0.1167532E-02 Ex_ueg -0.5187831E-03 Ec_ueg -0.1175418E-03 Delta_ex -0.6469240E-03 Delta_ec 0.1710141E-03 Delta_et -0.1050026E-02 Pxc 0.4413606E+01 Qxc -0.3782869E+01 3,+3 89 3 -1 1.649479 -0.616515 1.715200 Rho 0.3816178E-01 |GRAD(Rho)| 0.3964689E-16 GRAD(Rho)x -0.3824163E-16 GRAD(Rho)y -0.3764638E-17 GRAD(Rho)z -0.9761208E-17 Laplacian 0.1469417E+00 (-1/4)Del**2(Rho)) -0.3673542E-01 Diamond 0.5117209E-01 Metallicity 0.2028536E+01 Ellipticity 0.3970227E-01 Gb(Abramov) 0.3691013E-01 Vb(Abramov) -0.3708484E-01 Hb(Abramov) -0.1747112E-03 Ex_ueg -0.9489062E-02 Ec_ueg -0.1771795E-02 Delta_ex -0.1128149E-01 Delta_ec 0.4340487E-02 Delta_et -0.4258784E-01 Pxc 0.5355620E+01 Qxc -0.2599130E+01 3,-1 90 3 +3 0.065641 2.270306 -0.008022 Rho 0.4673247E-02 |GRAD(Rho)| 0.4473771E-17 GRAD(Rho)x 0.3645456E-17 GRAD(Rho)y 0.2578497E-17 GRAD(Rho)z 0.2768123E-18 Laplacian 0.1925358E-01 (-1/4)Del**2(Rho)) -0.4813396E-02 Diamond 0.1572860E-03 Metallicity 0.4675192E+00 Ellipticity -0.3056608E+00 Gb(Abramov) 0.3583990E-02 Vb(Abramov) -0.2354584E-02 Hb(Abramov) 0.1229406E-02 Ex_ueg -0.5770454E-03 Ec_ueg -0.1328785E-03 Delta_ex -0.6881338E-03 Delta_ec 0.1477903E-03 Delta_et -0.9731317E-03 Pxc 0.4342655E+01 Qxc -0.4656151E+01 3,+3 91 3 +1 1.619693 -0.560763 -0.543734 Rho 0.9181075E-02 |GRAD(Rho)| 0.4350739E-16 GRAD(Rho)x -0.3270074E-16 GRAD(Rho)y 0.2054855E-16 GRAD(Rho)z 0.2003277E-16 Laplacian 0.3739326E-01 (-1/4)Del**2(Rho)) -0.9348315E-02 Diamond 0.1056559E-02 Metallicity 0.7418380E+00 Ellipticity -0.1389109E+01 Gb(Abramov) 0.7388033E-02 Vb(Abramov) -0.5427750E-02 Hb(Abramov) 0.1960283E-02 Ex_ueg -0.1419852E-02 Ec_ueg -0.3310534E-03 Delta_ex -0.1721403E-02 Delta_ec 0.4985781E-03 Delta_et -0.3487362E-02 Pxc 0.4288892E+01 Qxc -0.3452624E+01 3,+1 92 3 -1 -0.001570 2.969034 0.019261 Rho 0.5960455E-02 |GRAD(Rho)| 0.3700795E-12 GRAD(Rho)x -0.3268000E-12 GRAD(Rho)y -0.1120362E-12 GRAD(Rho)z -0.1326970E-12 Laplacian 0.2408019E-01 (-1/4)Del**2(Rho)) -0.6020047E-02 Diamond 0.8327092E-03 Metallicity 0.5607282E+00 Ellipticity 0.2294734E+01 Gb(Abramov) 0.4575966E-02 Vb(Abramov) -0.3131885E-02 Hb(Abramov) 0.1444081E-02 Ex_ueg -0.7981619E-03 Ec_ueg -0.1884764E-03 Delta_ex -0.1328299E-02 Delta_ec 0.9175548E-03 Delta_et -0.5189705E-02 Pxc 0.4234810E+01 Qxc -0.1447651E+01 3,-1 93 3 +1 1.683495 0.460865 0.540742 Rho 0.7146616E-02 |GRAD(Rho)| 0.9877905E-14 GRAD(Rho)x 0.4150751E-14 GRAD(Rho)y 0.8325795E-14 GRAD(Rho)z -0.3320454E-14 Laplacian 0.2785245E-01 (-1/4)Del**2(Rho)) -0.6963112E-02 Diamond 0.6028854E-03 Metallicity 0.6560202E+00 Ellipticity -0.1416936E+01 Gb(Abramov) 0.5403398E-02 Vb(Abramov) -0.3843685E-02 Hb(Abramov) 0.1559714E-02 Ex_ueg -0.1016683E-02 Ec_ueg -0.2404287E-03 Delta_ex -0.1228214E-02 Delta_ec 0.4161642E-03 Delta_et -0.2690787E-02 Pxc 0.4228626E+01 Qxc -0.2951274E+01 3,+1 94 3 -1 1.629475 0.439474 -1.815423 Rho 0.4694823E-01 |GRAD(Rho)| 0.2304788E-14 GRAD(Rho)x -0.1507051E-14 GRAD(Rho)y -0.1515991E-14 GRAD(Rho)z -0.8617518E-15 Laplacian 0.1763052E+00 (-1/4)Del**2(Rho)) -0.4407630E-01 Diamond 0.8236740E-01 Metallicity 0.2388068E+01 Ellipticity 0.2540526E-01 Gb(Abramov) 0.4692707E-01 Vb(Abramov) -0.4977784E-01 Hb(Abramov) -0.2850770E-02 Ex_ueg -0.1250866E-01 Ec_ueg -0.2246891E-02 Delta_ex -0.1429966E-01 Delta_ec 0.5283001E-02 Delta_et -0.5480156E-01 Pxc 0.5567096E+01 Qxc -0.2706729E+01 3,-1 95 3 -1 1.730644 0.504686 2.756611 Rho 0.1231504E+00 |GRAD(Rho)| 0.2844304E-15 GRAD(Rho)x 0.1697251E-15 GRAD(Rho)y -0.2265034E-15 GRAD(Rho)z 0.2811133E-16 Laplacian 0.5126846E+00 (-1/4)Del**2(Rho)) -0.1281712E+00 Diamond 0.8098043E+00 Metallicity 0.4097221E+01 Ellipticity 0.1348210E-01 Gb(Abramov) 0.1729717E+00 Vb(Abramov) -0.2177722E+00 Hb(Abramov) -0.4480053E-01 Ex_ueg -0.4525149E-01 Ec_ueg -0.6747624E-02 Delta_ex -0.5235653E-01 Delta_ec 0.1341289E-01 Delta_et -0.1727750E+00 Pxc 0.6706285E+01 Qxc -0.3903447E+01 3,-1 96 3 +1 2.227562 1.044049 -1.438381 Rho 0.2114470E-01 |GRAD(Rho)| 0.3917209E-16 GRAD(Rho)x 0.3370423E-16 GRAD(Rho)y -0.2342326E-17 GRAD(Rho)z -0.1982400E-16 Laplacian 0.7699700E-01 (-1/4)Del**2(Rho)) -0.1924925E-01 Diamond 0.7039179E-02 Metallicity 0.1447022E+01 Ellipticity -0.2362730E+01 Gb(Abramov) 0.1747518E-01 Vb(Abramov) -0.1570112E-01 Hb(Abramov) 0.1774067E-02 Ex_ueg -0.4318376E-02 Ec_ueg -0.8966368E-03 Delta_ex -0.4450241E-02 Delta_ec 0.1074123E-02 Delta_et -0.9175269E-02 Pxc 0.4816193E+01 Qxc -0.4143140E+01 3,+1 97 3 +1 0.553436 1.708242 0.459790 Rho 0.7429198E-02 |GRAD(Rho)| 0.6259065E-11 GRAD(Rho)x -0.4737009E-11 GRAD(Rho)y -0.4031933E-11 GRAD(Rho)z -0.6929306E-12 Laplacian 0.2886801E-01 (-1/4)Del**2(Rho)) -0.7217003E-02 Diamond 0.6400881E-03 Metallicity 0.6752007E+00 Ellipticity -0.1405290E+01 Gb(Abramov) 0.5623489E-02 Vb(Abramov) -0.4029976E-02 Hb(Abramov) 0.1593513E-02 Ex_ueg -0.1070634E-02 Ec_ueg -0.2529037E-03 Delta_ex -0.1275047E-02 Delta_ec 0.4131649E-03 Delta_et -0.2713316E-02 Pxc 0.4233366E+01 Qxc -0.3086048E+01 3,+1 98 3 +1 2.067335 1.978161 -2.006911 Rho 0.1120045E-01 |GRAD(Rho)| 0.1666850E-15 GRAD(Rho)x -0.9973544E-16 GRAD(Rho)y -0.1090608E-15 GRAD(Rho)z 0.7708738E-16 Laplacian 0.4977282E-01 (-1/4)Del**2(Rho)) -0.1244320E-01 Diamond 0.1361617E-02 Metallicity 0.7762710E+00 Ellipticity -0.1081253E+01 Gb(Abramov) 0.9905352E-02 Vb(Abramov) -0.7367501E-02 Hb(Abramov) 0.2537852E-02 Ex_ueg -0.1850826E-02 Ec_ueg -0.4227859E-03 Delta_ex -0.2259087E-02 Delta_ec 0.3898641E-03 Delta_et -0.3078104E-02 Pxc 0.4377692E+01 Qxc -0.5794549E+01 3,+1 99 3 +3 2.009706 1.912133 -1.946733 Rho 0.1118751E-01 |GRAD(Rho)| 0.1456538E-16 GRAD(Rho)x 0.5164221E-17 GRAD(Rho)y 0.9857141E-18 GRAD(Rho)z 0.1358342E-16 Laplacian 0.4916095E-01 (-1/4)Del**2(Rho)) -0.1229024E-01 Diamond 0.1138754E-02 Metallicity 0.7844203E+00 Ellipticity -0.8963099E+00 Gb(Abramov) 0.9800277E-02 Vb(Abramov) -0.7310317E-02 Hb(Abramov) 0.2489961E-02 Ex_ueg -0.1847977E-02 Ec_ueg -0.4221929E-03 Delta_ex -0.2165876E-02 Delta_ec 0.2695183E-03 Delta_et -0.2279873E-02 Pxc 0.4377091E+01 Qxc -0.8036099E+01 3,+3 100 3 -1 1.797610 1.637249 -0.566522 Rho 0.3720249E-01 |GRAD(Rho)| 0.6360841E-16 GRAD(Rho)x 0.2745371E-16 GRAD(Rho)y 0.5521988E-16 GRAD(Rho)z 0.1559128E-16 Laplacian 0.1411719E+00 (-1/4)Del**2(Rho)) -0.3529296E-01 Diamond 0.4785473E-01 Metallicity 0.2023726E+01 Ellipticity 0.3617689E-02 Gb(Abramov) 0.3543252E-01 Vb(Abramov) -0.3557209E-01 Hb(Abramov) -0.1395607E-03 Ex_ueg -0.9172360E-02 Ec_ueg -0.1720764E-02 Delta_ex -0.1079387E-01 Delta_ec 0.4212367E-02 Delta_et -0.4104949E-01 Pxc 0.5330399E+01 Qxc -0.2562424E+01 3,-1 101 3 +1 1.744365 1.791264 1.716279 Rho 0.1157871E-01 |GRAD(Rho)| 0.1627381E-17 GRAD(Rho)x 0.6395298E-18 GRAD(Rho)y 0.1238343E-17 GRAD(Rho)z -0.8401649E-18 Laplacian 0.5606655E-01 (-1/4)Del**2(Rho)) -0.1401664E-01 Diamond 0.2127896E-02 Metallicity 0.7283543E+00 Ellipticity -0.1273857E+01 Gb(Abramov) 0.1104594E-01 Vb(Abramov) -0.8075239E-02 Hb(Abramov) 0.2970700E-02 Ex_ueg -0.1934632E-02 Ec_ueg -0.4401557E-03 Delta_ex -0.2726680E-02 Delta_ec 0.7216435E-03 Delta_et -0.5368725E-02 Pxc 0.4395336E+01 Qxc -0.3778430E+01 3,+1 102 3 -1 2.090890 2.937552 -0.846950 Rho 0.1118375E+00 |GRAD(Rho)| 0.2107490E-15 GRAD(Rho)x 0.1757356E-15 GRAD(Rho)y -0.1049813E-15 GRAD(Rho)z -0.5011047E-16 Laplacian 0.4289757E+00 (-1/4)Del**2(Rho)) -0.1072439E+00 Diamond 0.6118374E+00 Metallicity 0.4170227E+01 Ellipticity 0.2363230E-01 Gb(Abramov) 0.1460345E+00 Vb(Abramov) -0.1848252E+00 Hb(Abramov) -0.3879062E-01 Ex_ueg -0.3979561E-01 Ec_ueg -0.6047544E-02 Delta_ex -0.4293576E-01 Delta_ec 0.1169968E-01 Delta_et -0.1485299E+00 Pxc 0.6580458E+01 Qxc -0.3669822E+01 3,-1 103 3 -1 1.904264 2.761272 0.504224 Rho 0.8997542E-01 |GRAD(Rho)| 0.3680476E-15 GRAD(Rho)x -0.3075882E-15 GRAD(Rho)y 0.3777936E-16 GRAD(Rho)z 0.1985479E-15 Laplacian 0.3750456E+00 (-1/4)Del**2(Rho)) -0.9376140E-01 Diamond 0.4113202E+00 Metallicity 0.3319471E+01 Ellipticity 0.4905941E-02 Gb(Abramov) 0.1143806E+00 Vb(Abramov) -0.1349999E+00 Hb(Abramov) -0.2061925E-01 Ex_ueg -0.2977718E-01 Ec_ueg -0.4721911E-02 Delta_ex -0.3568175E-01 Delta_ec 0.1072632E-01 Delta_et -0.1304161E+00 Pxc 0.6306171E+01 Qxc -0.3326561E+01 3,-1 104 3 +1 2.938501 -0.173138 0.209395 Rho 0.5062624E-02 |GRAD(Rho)| 0.4291434E-17 GRAD(Rho)x -0.2924385E-18 GRAD(Rho)y -0.3611071E-17 GRAD(Rho)z -0.2300228E-17 Laplacian 0.2085170E-01 (-1/4)Del**2(Rho)) -0.5212924E-02 Diamond 0.4532685E-03 Metallicity 0.4932850E+00 Ellipticity -0.2079506E+01 Gb(Abramov) 0.3903859E-02 Vb(Abramov) -0.2594794E-02 Hb(Abramov) 0.1309065E-02 Ex_ueg -0.6420261E-03 Ec_ueg -0.1496088E-03 Delta_ex -0.1001594E-02 Delta_ec 0.5894246E-03 Delta_et -0.3240180E-02 Pxc 0.4291366E+01 Qxc -0.1699273E+01 3,+1 105 3 -1 2.956229 0.817124 -2.076220 Rho 0.5980898E-01 |GRAD(Rho)| 0.4677300E-16 GRAD(Rho)x 0.1055064E-16 GRAD(Rho)y 0.1339159E-16 GRAD(Rho)z -0.4355528E-16 Laplacian 0.2425596E+00 (-1/4)Del**2(Rho)) -0.6063989E-01 Diamond 0.1599951E+00 Metallicity 0.2598596E+01 Ellipticity 0.5162098E-02 Gb(Abramov) 0.6668969E-01 Vb(Abramov) -0.7273949E-01 Hb(Abramov) -0.6049797E-02 Ex_ueg -0.1727456E-01 Ec_ueg -0.2963850E-02 Delta_ex -0.2099919E-01 Delta_ec 0.7407116E-02 Delta_et -0.8187598E-01 Pxc 0.5828418E+01 Qxc -0.2835003E+01 3,-1 106 3 -1 2.854668 1.761829 0.557563 Rho 0.1597332E+00 |GRAD(Rho)| 0.2065091E-13 GRAD(Rho)x -0.8007511E-16 GRAD(Rho)y 0.1424560E-13 GRAD(Rho)z -0.1495047E-13 Laplacian 0.6578363E+00 (-1/4)Del**2(Rho)) -0.1644591E+00 Diamond 0.1414222E+01 Metallicity 0.4925921E+01 Ellipticity 0.3357222E-01 Gb(Abramov) 0.2446581E+00 Vb(Abramov) -0.3248572E+00 Hb(Abramov) -0.8019905E-01 Ex_ueg -0.6400965E-01 Ec_ueg -0.9069464E-02 Delta_ex -0.7153557E-01 Delta_ec 0.1604639E-01 Delta_et -0.2144428E+00 Pxc 0.7057710E+01 Qxc -0.4458049E+01 3,-1 107 3 -1 3.133861 1.962456 -0.886974 Rho 0.1893432E+00 |GRAD(Rho)| 0.1644801E-15 GRAD(Rho)x -0.8402567E-16 GRAD(Rho)y 0.1214577E-15 GRAD(Rho)z 0.7239760E-16 Laplacian 0.7183790E+00 (-1/4)Del**2(Rho)) -0.1795947E+00 Diamond 0.1913657E+01 Metallicity 0.5988836E+01 Ellipticity 0.5761251E-01 Gb(Abramov) 0.2989904E+00 Vb(Abramov) -0.4183861E+00 Hb(Abramov) -0.1193957E+00 Ex_ueg -0.8030046E-01 Ec_ueg -0.1100805E-01 Delta_ex -0.8167664E-01 Delta_ec 0.1700767E-01 Delta_et -0.2321937E+00 Pxc 0.7294706E+01 Qxc -0.4802342E+01 3,-1 108 3 -1 -2.963799 0.845028 2.103558 Rho 0.1121381E+00 |GRAD(Rho)| 0.1176504E-13 GRAD(Rho)x 0.5220867E-14 GRAD(Rho)y -0.7492135E-14 GRAD(Rho)z 0.7417993E-14 Laplacian 0.4375353E+00 (-1/4)Del**2(Rho)) -0.1093838E+00 Diamond 0.6224318E+00 Metallicity 0.4106972E+01 Ellipticity 0.3890329E-01 Gb(Abramov) 0.1477953E+00 Vb(Abramov) -0.1862067E+00 Hb(Abramov) -0.3841145E-01 Ex_ueg -0.3993826E-01 Ec_ueg -0.6066024E-02 Delta_ex -0.4376691E-01 Delta_ec 0.1183059E-01 Delta_et -0.1501257E+00 Pxc 0.6583927E+01 Qxc -0.3699469E+01 3,-1 109 3 +1 -1.096959 1.378669 2.213096 Rho 0.2483002E-01 |GRAD(Rho)| 0.5373218E-15 GRAD(Rho)x 0.4395773E-15 GRAD(Rho)y 0.3085000E-15 GRAD(Rho)z 0.1772537E-16 Laplacian 0.9302444E-01 (-1/4)Del**2(Rho)) -0.2325611E-01 Diamond 0.1103392E-01 Metallicity 0.1565470E+01 Ellipticity -0.2858817E+01 Gb(Abramov) 0.2157186E-01 Vb(Abramov) -0.1988761E-01 Hb(Abramov) 0.1684247E-02 Ex_ueg -0.5350010E-02 Ec_ueg -0.1080160E-02 Delta_ex -0.5663414E-02 Delta_ec 0.1379174E-02 Delta_et -0.1220112E-01 Pxc 0.4952979E+01 Qxc -0.4106380E+01 3,+1 110 3 -1 -2.690985 0.446718 -1.879422 Rho 0.5273608E-01 |GRAD(Rho)| 0.1415134E-15 GRAD(Rho)x -0.1502192E-16 GRAD(Rho)y 0.4380558E-16 GRAD(Rho)z 0.1337215E-15 Laplacian 0.2208330E+00 (-1/4)Del**2(Rho)) -0.5520825E-01 Diamond 0.1259088E+00 Metallicity 0.2314172E+01 Ellipticity 0.8627365E-02 Gb(Abramov) 0.5809906E-01 Vb(Abramov) -0.6098987E-01 Hb(Abramov) -0.2890811E-02 Ex_ueg -0.1460592E-01 Ec_ueg -0.2566663E-02 Delta_ex -0.1864622E-01 Delta_ec 0.6975365E-02 Delta_et -0.7471170E-01 Pxc 0.5690625E+01 Qxc -0.2673154E+01 3,-1 111 3 +1 -2.195204 1.131274 1.359734 Rho 0.2545929E-01 |GRAD(Rho)| 0.3694619E-16 GRAD(Rho)x 0.2601759E-16 GRAD(Rho)y -0.2801747E-17 GRAD(Rho)z -0.2608172E-16 Laplacian 0.9509400E-01 (-1/4)Del**2(Rho)) -0.2377350E-01 Diamond 0.1219579E-01 Metallicity 0.1596629E+01 Ellipticity -0.3579645E+01 Gb(Abramov) 0.2217524E-01 Vb(Abramov) -0.2057698E-01 Hb(Abramov) 0.1598259E-02 Ex_ueg -0.5531549E-02 Ec_ueg -0.1111866E-02 Delta_ex -0.5884123E-02 Delta_ec 0.1508238E-02 Delta_et -0.1339591E-01 Pxc 0.4975012E+01 Qxc -0.3901323E+01 3,+1 112 3 +1 -0.523411 1.641901 -0.517723 Rho 0.8970992E-02 |GRAD(Rho)| 0.7681061E-17 GRAD(Rho)x -0.4109604E-17 GRAD(Rho)y 0.1531325E-17 GRAD(Rho)z -0.6305941E-17 Laplacian 0.3508560E-01 (-1/4)Del**2(Rho)) -0.8771401E-02 Diamond 0.9651937E-03 Metallicity 0.7607086E+00 Ellipticity -0.1427669E+01 Gb(Abramov) 0.6959680E-02 Vb(Abramov) -0.5147960E-02 Hb(Abramov) 0.1811720E-02 Ex_ueg -0.1376699E-02 Ec_ueg -0.3216097E-03 Delta_ex -0.1607592E-02 Delta_ec 0.4713627E-03 Delta_et -0.3274785E-02 Pxc 0.4280651E+01 Qxc -0.3410519E+01 3,+1 113 3 -1 -2.859856 1.722569 -0.528849 Rho 0.1967058E+00 |GRAD(Rho)| 0.3965766E-15 GRAD(Rho)x 0.1262147E-15 GRAD(Rho)y 0.2965835E-15 GRAD(Rho)z 0.2310435E-15 Laplacian 0.7844932E+00 (-1/4)Del**2(Rho)) -0.1961233E+00 Diamond 0.2155918E+01 Metallicity 0.5844123E+01 Ellipticity 0.3043100E-01 Gb(Abramov) 0.3217770E+00 Vb(Abramov) -0.4474307E+00 Hb(Abramov) -0.1256537E+00 Ex_ueg -0.8449053E-01 Ec_ueg -0.1149787E-01 Delta_ex -0.8984198E-01 Delta_ec 0.1798715E-01 Delta_et -0.2450466E+00 Pxc 0.7348362E+01 Qxc -0.4994788E+01 3,-1 114 3 +3 -2.388989 0.066425 0.072720 Rho 0.5116303E-02 |GRAD(Rho)| 0.7811856E-16 GRAD(Rho)x 0.5244892E-16 GRAD(Rho)y 0.3049804E-16 GRAD(Rho)z 0.4920864E-16 Laplacian 0.2147224E-01 (-1/4)Del**2(Rho)) -0.5368061E-02 Diamond 0.2221401E-03 Metallicity 0.4875243E+00 Ellipticity -0.2688597E+00 Gb(Abramov) 0.4014884E-02 Vb(Abramov) -0.2661707E-02 Hb(Abramov) 0.1353177E-02 Ex_ueg -0.6511186E-03 Ec_ueg -0.1519212E-03 Delta_ex -0.8072947E-03 Delta_ec 0.2029418E-03 Delta_et -0.1300599E-02 Pxc 0.4285896E+01 Qxc -0.3977961E+01 3,+3 115 3 -1 -1.740255 -0.547726 2.869894 Rho 0.1593463E+00 |GRAD(Rho)| 0.2540307E-15 GRAD(Rho)x -0.1935301E-16 GRAD(Rho)y 0.2454092E-15 GRAD(Rho)z -0.6270077E-16 Laplacian 0.6607753E+00 (-1/4)Del**2(Rho)) -0.1651938E+00 Diamond 0.1418688E+01 Metallicity 0.4884230E+01 Ellipticity 0.3659073E-01 Gb(Abramov) 0.2446033E+00 Vb(Abramov) -0.3240129E+00 Hb(Abramov) -0.7940952E-01 Ex_ueg -0.6380301E-01 Ec_ueg -0.9044474E-02 Delta_ex -0.7183273E-01 Delta_ec 0.1616546E-01 Delta_et -0.2160667E+00 Pxc 0.7054364E+01 Qxc -0.4443592E+01 3,-1 116 3 -1 -1.655372 0.427692 -2.852933 Rho 0.1449929E+00 |GRAD(Rho)| 0.1117458E-15 GRAD(Rho)x -0.4877555E-16 GRAD(Rho)y 0.1003700E-15 GRAD(Rho)z -0.5824199E-17 Laplacian 0.5977748E+00 (-1/4)Del**2(Rho)) -0.1494437E+00 Diamond 0.1156696E+01 Metallicity 0.4613037E+01 Ellipticity 0.2222144E-01 Gb(Abramov) 0.2145274E+00 Vb(Abramov) -0.2796110E+00 Hb(Abramov) -0.6508365E-01 Ex_ueg -0.5625755E-01 Ec_ueg -0.8123764E-02 Delta_ex -0.6359751E-01 Delta_ec 0.1517771E-01 Delta_et -0.2008166E+00 Pxc 0.6925060E+01 Qxc -0.4190193E+01 3,-1 117 3 -1 -1.663081 0.541971 1.791822 Rho 0.4618111E-01 |GRAD(Rho)| 0.2444118E-14 GRAD(Rho)x -0.1396701E-14 GRAD(Rho)y -0.7213264E-15 GRAD(Rho)z 0.1871530E-14 Laplacian 0.1776278E+00 (-1/4)Del**2(Rho)) -0.4440694E-01 Diamond 0.8073070E-01 Metallicity 0.2306090E+01 Ellipticity 0.1351585E-01 Gb(Abramov) 0.4667236E-01 Vb(Abramov) -0.4893778E-01 Hb(Abramov) -0.2265420E-02 Ex_ueg -0.1223689E-01 Ec_ueg -0.2204893E-02 Delta_ex -0.1432769E-01 Delta_ec 0.5287613E-02 Delta_et -0.5460326E-01 Pxc 0.5549877E+01 Qxc -0.2709671E+01 3,-1 118 3 -1 -0.497261 1.753320 1.652777 Rho 0.4994137E-01 |GRAD(Rho)| 0.2080822E-15 GRAD(Rho)x 0.5337705E-16 GRAD(Rho)y 0.1789154E-15 GRAD(Rho)z 0.9186072E-16 Laplacian 0.1925226E+00 (-1/4)Del**2(Rho)) -0.4813064E-01 Diamond 0.9758087E-01 Metallicity 0.2424184E+01 Ellipticity 0.3118509E-01 Gb(Abramov) 0.5153335E-01 Vb(Abramov) -0.5493605E-01 Hb(Abramov) -0.3402708E-02 Ex_ueg -0.1358310E-01 Ec_ueg -0.2411633E-02 Delta_ex -0.1584843E-01 Delta_ec 0.5747363E-02 Delta_et -0.6058932E-01 Pxc 0.5632325E+01 Qxc -0.2757514E+01 3,-1 119 3 -1 -1.939956 0.896732 3.096124 Rho 0.1700193E+00 |GRAD(Rho)| 0.8358067E-14 GRAD(Rho)x -0.4333163E-14 GRAD(Rho)y -0.6333584E-14 GRAD(Rho)z -0.3311601E-14 Laplacian 0.6495933E+00 (-1/4)Del**2(Rho)) -0.1623983E+00 Diamond 0.1521176E+01 Metallicity 0.5535229E+01 Ellipticity 0.7696273E-01 Gb(Abramov) 0.2580842E+00 Vb(Abramov) -0.3537700E+00 Hb(Abramov) -0.9568586E-01 Ex_ueg -0.6956373E-01 Ec_ueg -0.9737127E-02 Delta_ex -0.7188465E-01 Delta_ec 0.1583222E-01 Delta_et -0.2137913E+00 Pxc 0.7144174E+01 Qxc -0.4540402E+01 3,-1 120 3 +1 -1.757359 1.680257 -1.738694 Rho 0.1032794E-01 |GRAD(Rho)| 0.1375178E-16 GRAD(Rho)x 0.7493521E-17 GRAD(Rho)y 0.1114444E-16 GRAD(Rho)z 0.2959749E-17 Laplacian 0.4897864E-01 (-1/4)Del**2(Rho)) -0.1224466E-01 Diamond 0.1638289E-02 Metallicity 0.6891217E+00 Ellipticity -0.1286245E+01 Gb(Abramov) 0.9569450E-02 Vb(Abramov) -0.6894240E-02 Hb(Abramov) 0.2675210E-02 Ex_ueg -0.1661129E-02 Ec_ueg -0.3829417E-03 Delta_ex -0.2328875E-02 Delta_ec 0.6611735E-03 Delta_et -0.4756854E-02 Pxc 0.4337811E+01 Qxc -0.3522336E+01 3,+1 121 3 +1 -1.387957 2.164574 1.103988 Rho 0.2705817E-01 |GRAD(Rho)| 0.4928617E-16 GRAD(Rho)x 0.6350851E-17 GRAD(Rho)y -0.4822372E-16 GRAD(Rho)z -0.7954016E-17 Laplacian 0.1048241E+00 (-1/4)Del**2(Rho)) -0.2620603E-01 Diamond 0.1450839E-01 Metallicity 0.1603182E+01 Ellipticity -0.3294979E+01 Gb(Abramov) 0.2447286E-01 Vb(Abramov) -0.2273968E-01 Hb(Abramov) 0.1733172E-02 Ex_ueg -0.5999518E-02 Ec_ueg -0.1192888E-02 Delta_ex -0.6582900E-02 Delta_ec 0.1642776E-02 Delta_et -0.1480618E-01 Pxc 0.5029406E+01 Qxc -0.4007180E+01 3,+1 122 3 -1 -1.867969 2.683882 -0.506564 Rho 0.1035619E+00 |GRAD(Rho)| 0.1148153E-13 GRAD(Rho)x -0.8859030E-14 GRAD(Rho)y -0.2683043E-14 GRAD(Rho)z 0.6792970E-14 Laplacian 0.4218900E+00 (-1/4)Del**2(Rho)) -0.1054725E+00 Diamond 0.5506536E+00 Metallicity 0.3730330E+01 Ellipticity 0.5845672E-02 Gb(Abramov) 0.1358895E+00 Vb(Abramov) -0.1663066E+00 Hb(Abramov) -0.3041704E-01 Ex_ueg -0.3591852E-01 Ec_ueg -0.5541320E-02 Delta_ex -0.4150571E-01 Delta_ec 0.1177015E-01 Delta_et -0.1473429E+00 Pxc 0.6481943E+01 Qxc -0.3526352E+01 3,-1 123 3 -1 -0.505441 -0.394051 -0.423651 Rho 0.1406770E+00 |GRAD(Rho)| 0.3690574E-13 GRAD(Rho)x 0.2405932E-13 GRAD(Rho)y 0.1767093E-13 GRAD(Rho)z 0.2170072E-13 Laplacian 0.7476328E+00 (-1/4)Del**2(Rho)) -0.1869082E+00 Diamond 0.1681811E+01 Metallicity 0.3507221E+01 Ellipticity 0.3008256E-01 Gb(Abramov) 0.2338602E+00 Vb(Abramov) -0.2808122E+00 Hb(Abramov) -0.4695200E-01 Ex_ueg -0.5403590E-01 Ec_ueg -0.7849403E-02 Delta_ex -0.8206634E-01 Delta_ec 0.2467883E-01 Delta_et -0.3368418E+00 Pxc 0.6884078E+01 Qxc -0.3325374E+01 3,-1 124 3 -1 -0.431558 0.372693 0.375597 Rho 0.1346838E+00 |GRAD(Rho)| 0.1569248E-15 GRAD(Rho)x -0.1463559E-15 GRAD(Rho)y -0.1431575E-16 GRAD(Rho)z 0.5477608E-16 Laplacian 0.6896580E+00 (-1/4)Del**2(Rho)) -0.1724145E+00 Diamond 0.1470932E+01 Metallicity 0.3535942E+01 Ellipticity 0.5394233E-02 Gb(Abramov) 0.2165509E+00 Vb(Abramov) -0.2606874E+00 Hb(Abramov) -0.4413643E-01 Ex_ueg -0.5098850E-01 Ec_ueg -0.7470389E-02 Delta_ex -0.7493523E-01 Delta_ec 0.2295363E-01 Delta_et -0.3105319E+00 Pxc 0.6825415E+01 Qxc -0.3264636E+01 3,-1 125 3 +3 0.011602 -0.094693 2.263454 Rho 0.4807441E-02 |GRAD(Rho)| 0.1294853E-14 GRAD(Rho)x 0.1247725E-14 GRAD(Rho)y -0.2938868E-15 GRAD(Rho)z -0.1829106E-15 Laplacian 0.1992250E-01 (-1/4)Del**2(Rho)) -0.4980624E-02 Diamond 0.1695025E-03 Metallicity 0.4736519E+00 Ellipticity -0.3925249E+00 Gb(Abramov) 0.3713597E-02 Vb(Abramov) -0.2446569E-02 Hb(Abramov) 0.1267028E-02 Ex_ueg -0.5992439E-03 Ec_ueg -0.1386356E-03 Delta_ex -0.7177050E-03 Delta_ec 0.1535543E-03 Delta_et -0.1016493E-02 Pxc 0.4322438E+01 Qxc -0.4673948E+01 3,+3 126 3 +1 1.980108 -2.024945 2.043618 Rho 0.1175637E-01 |GRAD(Rho)| 0.1408040E-16 GRAD(Rho)x -0.8626415E-17 GRAD(Rho)y 0.4472328E-17 GRAD(Rho)z -0.1019024E-16 Laplacian 0.5230152E-01 (-1/4)Del**2(Rho)) -0.1307538E-01 Diamond 0.1589183E-02 Metallicity 0.8008560E+00 Ellipticity -0.1121728E+01 Gb(Abramov) 0.1046217E-01 Vb(Abramov) -0.7848959E-02 Hb(Abramov) 0.2613211E-02 Ex_ueg -0.1974314E-02 Ec_ueg -0.4483340E-03 Delta_ex -0.2423812E-02 Delta_ec 0.4410957E-03 Delta_et -0.3475614E-02 Pxc 0.4403667E+01 Qxc -0.5494979E+01 3,+1 127 3 +1 1.561776 -1.976966 -1.969660 Rho 0.7018320E-02 |GRAD(Rho)| 0.1970889E-16 GRAD(Rho)x 0.1614042E-16 GRAD(Rho)y 0.5541078E-17 GRAD(Rho)z 0.9860205E-17 Laplacian 0.3122249E-01 (-1/4)Del**2(Rho)) -0.7805624E-02 Diamond 0.9780903E-03 Metallicity 0.5678071E+00 Ellipticity -0.1860388E+01 Gb(Abramov) 0.5942430E-02 Vb(Abramov) -0.4079237E-02 Hb(Abramov) 0.1863193E-02 Ex_ueg -0.9924209E-03 Ec_ueg -0.2347772E-03 Delta_ex -0.1558993E-02 Delta_ec 0.8026876E-03 Delta_et -0.4893941E-02 Pxc 0.4227075E+01 Qxc -0.1942216E+01 3,+1 128 3 +1 0.513985 -1.597523 -1.664796 Rho 0.2936167E-02 |GRAD(Rho)| 0.3344932E-17 GRAD(Rho)x -0.1927000E-17 GRAD(Rho)y 0.8313628E-18 GRAD(Rho)z 0.2604626E-17 Laplacian 0.1123180E-01 (-1/4)Del**2(Rho)) -0.2807950E-02 Diamond 0.7165650E-04 Metallicity 0.3693729E+00 Ellipticity -0.1113542E+01 Gb(Abramov) 0.2044830E-02 Vb(Abramov) -0.1281710E-02 Hb(Abramov) 0.7631199E-03 Ex_ueg -0.3105222E-03 Ec_ueg -0.5920834E-04 Delta_ex -0.3992732E-03 Delta_ec 0.1630623E-03 Delta_et -0.8331826E-03 Pxc 0.5244569E+01 Qxc -0.2448593E+01 3,+1 129 3 +1 1.281873 -2.249610 1.117604 Rho 0.2701455E-01 |GRAD(Rho)| 0.1091571E-14 GRAD(Rho)x 0.7294135E-15 GRAD(Rho)y -0.4853926E-15 GRAD(Rho)z -0.6510579E-15 Laplacian 0.1040932E+00 (-1/4)Del**2(Rho)) -0.2602329E-01 Diamond 0.1473983E-01 Metallicity 0.1610104E+01 Ellipticity -0.3844560E+01 Gb(Abramov) 0.2433223E-01 Vb(Abramov) -0.2264116E-01 Hb(Abramov) 0.1691065E-02 Ex_ueg -0.5986625E-02 Ec_ueg -0.1190669E-02 Delta_ex -0.6569849E-02 Delta_ec 0.1695087E-02 Delta_et -0.1525982E-01 Pxc 0.5027951E+01 Qxc -0.3875818E+01 3,+1 130 3 -1 1.617781 -1.754671 0.419892 Rho 0.5445997E-01 |GRAD(Rho)| 0.4513195E-16 GRAD(Rho)x 0.3101157E-16 GRAD(Rho)y -0.3252310E-16 GRAD(Rho)z 0.4174178E-17 Laplacian 0.2049928E+00 (-1/4)Del**2(Rho)) -0.5124821E-01 Diamond 0.1169941E+00 Metallicity 0.2630289E+01 Ellipticity 0.2048210E-01 Gb(Abramov) 0.5663174E-01 Vb(Abramov) -0.6201527E-01 Hb(Abramov) -0.5383533E-02 Ex_ueg -0.1524597E-01 Ec_ueg -0.2662848E-02 Delta_ex -0.1725226E-01 Delta_ec 0.6123115E-02 Delta_et -0.6602039E-01 Pxc 0.5725436E+01 Qxc -0.2817562E+01 3,-1 131 3 -1 1.751479 -2.912649 -0.592032 Rho 0.2121405E+00 |GRAD(Rho)| 0.4006522E-15 GRAD(Rho)x -0.1112391E-15 GRAD(Rho)y -0.4521123E-16 GRAD(Rho)z -0.3822355E-15 Laplacian 0.8179814E+00 (-1/4)Del**2(Rho)) -0.2044954E+00 Diamond 0.2475519E+01 Metallicity 0.6356854E+01 Ellipticity 0.2186554E-01 Gb(Abramov) 0.3529881E+00 Vb(Abramov) -0.5014808E+00 Hb(Abramov) -0.1484927E+00 Ex_ueg -0.9344363E-01 Ec_ueg -0.1253456E-01 Delta_ex -0.9560129E-01 Delta_ec 0.1851863E-01 Delta_et -0.2541630E+00 Pxc 0.7454878E+01 Qxc -0.5162438E+01 3,-1 132 3 -1 1.954538 -2.994807 0.828434 Rho 0.9534314E-01 |GRAD(Rho)| 0.2861200E-13 GRAD(Rho)x 0.1354076E-13 GRAD(Rho)y 0.8006523E-14 GRAD(Rho)z -0.2389959E-13 Laplacian 0.3663030E+00 (-1/4)Del**2(Rho)) -0.9157575E-01 Diamond 0.4328205E+00 Metallicity 0.3743304E+01 Ellipticity 0.2450885E-01 Gb(Abramov) 0.1181831E+00 Vb(Abramov) -0.1447905E+00 Hb(Abramov) -0.2660739E-01 Ex_ueg -0.3216901E-01 Ec_ueg -0.5043830E-02 Delta_ex -0.3535387E-01 Delta_ec 0.1041011E-01 Delta_et -0.1281780E+00 Pxc 0.6377893E+01 Qxc -0.3396110E+01 3,-1 133 3 -1 2.903604 -1.958812 0.810879 Rho 0.7500554E-01 |GRAD(Rho)| 0.6937755E-16 GRAD(Rho)x -0.6423644E-16 GRAD(Rho)y -0.2309859E-17 GRAD(Rho)z 0.2610725E-16 Laplacian 0.2978618E+00 (-1/4)Del**2(Rho)) -0.7446544E-01 Diamond 0.2599798E+00 Metallicity 0.3086176E+01 Ellipticity 0.1116847E-01 Gb(Abramov) 0.8794587E-01 Vb(Abramov) -0.1014263E+00 Hb(Abramov) -0.1348043E-01 Ex_ueg -0.2336197E-01 Ec_ueg -0.3837791E-02 Delta_ex -0.2714176E-01 Delta_ec 0.8753851E-02 Delta_et -0.1021710E+00 Pxc 0.6087349E+01 Qxc -0.3100551E+01 3,-1 134 3 +3 1.895827 -1.948176 1.951226 Rho 0.1171945E-01 |GRAD(Rho)| 0.4504702E-11 GRAD(Rho)x 0.4046577E-11 GRAD(Rho)y 0.1556881E-11 GRAD(Rho)z -0.1222161E-11 Laplacian 0.5139682E-01 (-1/4)Del**2(Rho)) -0.1284921E-01 Diamond 0.1236294E-02 Metallicity 0.8106917E+00 Ellipticity -0.8270197E+00 Gb(Abramov) 0.1030226E-01 Vb(Abramov) -0.7755317E-02 Hb(Abramov) 0.2546944E-02 Ex_ueg -0.1966051E-02 Ec_ueg -0.4466335E-03 Delta_ex -0.2284778E-02 Delta_ec 0.2638040E-03 Delta_et -0.2280462E-02 Pxc 0.4401934E+01 Qxc -0.8660894E+01 3,+3 135 3 +1 2.134059 -1.355811 1.106605 Rho 0.2492853E-01 |GRAD(Rho)| 0.2407174E-16 GRAD(Rho)x -0.2110514E-16 GRAD(Rho)y 0.1546841E-17 GRAD(Rho)z -0.1147296E-16 Laplacian 0.9583465E-01 (-1/4)Del**2(Rho)) -0.2395866E-01 Diamond 0.1245837E-01 Metallicity 0.1529625E+01 Ellipticity -0.3805800E+01 Gb(Abramov) 0.2208041E-01 Vb(Abramov) -0.2020215E-01 Hb(Abramov) 0.1878258E-02 Ex_ueg -0.5378328E-02 Ec_ueg -0.1085116E-02 Delta_ex -0.5952958E-02 Delta_ec 0.1621095E-02 Delta_et -0.1430090E-01 Pxc 0.4956453E+01 Qxc -0.3672183E+01 3,+1 136 3 -1 3.138894 -3.120052 -0.096449 Rho 0.2160155E+00 |GRAD(Rho)| 0.9354004E-15 GRAD(Rho)x 0.5883423E-15 GRAD(Rho)y -0.7264697E-15 GRAD(Rho)z -0.3269547E-16 Laplacian 0.8052829E+00 (-1/4)Del**2(Rho)) -0.2013207E+00 Diamond 0.2506703E+01 Metallicity 0.6654870E+01 Ellipticity 0.1411355E-01 Gb(Abramov) 0.3575077E+00 Vb(Abramov) -0.5136946E+00 Hb(Abramov) -0.1561869E+00 Ex_ueg -0.9572637E-01 Ec_ueg -0.1279691E-01 Delta_ex -0.9465595E-01 Delta_ec 0.1831263E-01 Delta_et -0.2522849E+00 Pxc 0.7480427E+01 Qxc -0.5168889E+01 3,-1 137 3 -1 3.317769 3.110887 0.048627 Rho 0.2211429E+00 |GRAD(Rho)| 0.1094101E-14 GRAD(Rho)x 0.4038111E-15 GRAD(Rho)y -0.5910528E-15 GRAD(Rho)z 0.8274360E-15 Laplacian 0.8075234E+00 (-1/4)Del**2(Rho)) -0.2018809E+00 Diamond 0.2593947E+01 Metallicity 0.6901017E+01 Ellipticity 0.2655200E-02 Gb(Abramov) 0.3667844E+00 Vb(Abramov) -0.5316880E+00 Hb(Abramov) -0.1649036E+00 Ex_ueg -0.9876789E-01 Ec_ueg -0.1314533E-01 Delta_ex -0.9554598E-01 Delta_ec 0.1832980E-01 Delta_et -0.2532141E+00 Pxc 0.7513537E+01 Qxc -0.5212605E+01 3,-1 138 3 -1 -1.776547 1.643234 0.544960 Rho 0.4856524E-01 |GRAD(Rho)| 0.4225524E-16 GRAD(Rho)x -0.8026908E-17 GRAD(Rho)y 0.3939720E-16 GRAD(Rho)z -0.1299751E-16 Laplacian 0.1857739E+00 (-1/4)Del**2(Rho)) -0.4644347E-01 Diamond 0.9051082E-01 Metallicity 0.2397937E+01 Ellipticity 0.6262824E-02 Gb(Abramov) 0.4952373E-01 Vb(Abramov) -0.5260400E-01 Hb(Abramov) -0.3080265E-02 Ex_ueg -0.1308637E-01 Ec_ueg -0.2335721E-02 Delta_ex -0.1517956E-01 Delta_ec 0.5535854E-02 Delta_et -0.5793121E-01 Pxc 0.5602711E+01 Qxc -0.2742045E+01 3,-1 139 3 -1 -2.915907 -0.978115 -2.126902 Rho 0.1024365E+00 |GRAD(Rho)| 0.3539157E-15 GRAD(Rho)x -0.1127774E-15 GRAD(Rho)y 0.2736255E-15 GRAD(Rho)z -0.1940790E-15 Laplacian 0.3896036E+00 (-1/4)Del**2(Rho)) -0.9740089E-01 Diamond 0.5049212E+00 Metallicity 0.3966564E+01 Ellipticity 0.3538599E-01 Gb(Abramov) 0.1293251E+00 Vb(Abramov) -0.1612493E+00 Hb(Abramov) -0.3192418E-01 Ex_ueg -0.3539901E-01 Ec_ueg -0.5472879E-02 Delta_ex -0.3828251E-01 Delta_ec 0.1098638E-01 Delta_et -0.1373512E+00 Pxc 0.6468079E+01 Qxc -0.3484544E+01 3,-1 140 3 -1 -0.822514 2.050064 2.949896 Rho 0.8505747E-01 |GRAD(Rho)| 0.5602421E-14 GRAD(Rho)x 0.3879184E-14 GRAD(Rho)y 0.3432625E-14 GRAD(Rho)z -0.2134513E-14 Laplacian 0.3346287E+00 (-1/4)Del**2(Rho)) -0.8365716E-01 Diamond 0.3402576E+00 Metallicity 0.3387694E+01 Ellipticity 0.2187378E-01 Gb(Abramov) 0.1030056E+00 Vb(Abramov) -0.1223540E+00 Hb(Abramov) -0.1934842E-01 Ex_ueg -0.2762708E-01 Ec_ueg -0.4429161E-02 Delta_ex -0.3137465E-01 Delta_ec 0.9585797E-02 Delta_et -0.1150619E+00 Pxc 0.6237543E+01 Qxc -0.3273035E+01 3,-1 141 3 +1 -0.195965 2.957589 0.203295 Rho 0.5895557E-02 |GRAD(Rho)| 0.6425594E-14 GRAD(Rho)x -0.3390563E-14 GRAD(Rho)y 0.4341667E-15 GRAD(Rho)z 0.5440941E-14 Laplacian 0.2440887E-01 (-1/4)Del**2(Rho)) -0.6102218E-02 Diamond 0.6591720E-03 Metallicity 0.5431755E+00 Ellipticity -0.2515867E+01 Gb(Abramov) 0.4620574E-02 Vb(Abramov) -0.3138931E-02 Hb(Abramov) 0.1481643E-02 Ex_ueg -0.7865955E-03 Ec_ueg -0.1856535E-03 Delta_ex -0.1215070E-02 Delta_ec 0.7004009E-03 Delta_et -0.4023352E-02 Pxc 0.4236901E+01 Qxc -0.1734821E+01 3,+1 142 3 -1 -0.600310 -2.827912 1.812807 Rho 0.1705397E+00 |GRAD(Rho)| 0.4761824E-12 GRAD(Rho)x 0.3439099E-12 GRAD(Rho)y 0.2196410E-13 GRAD(Rho)z 0.3286233E-12 Laplacian 0.7000589E+00 (-1/4)Del**2(Rho)) -0.1750147E+00 Diamond 0.1627543E+01 Metallicity 0.5162434E+01 Ellipticity 0.4721763E-01 Gb(Abramov) 0.2672601E+00 Vb(Abramov) -0.3595056E+00 Hb(Abramov) -0.9224542E-01 Ex_ueg -0.6984776E-01 Ec_ueg -0.9771070E-02 Delta_ex -0.7737877E-01 Delta_ec 0.1678132E-01 Delta_et -0.2259395E+00 Pxc 0.7148425E+01 Qxc -0.4611007E+01 3,-1 143 3 -1 -0.505060 1.784248 -2.700053 Rho 0.1166829E+00 |GRAD(Rho)| 0.6003048E-15 GRAD(Rho)x 0.3910988E-15 GRAD(Rho)y 0.4383904E-15 GRAD(Rho)z 0.1233754E-15 Laplacian 0.4855750E+00 (-1/4)Del**2(Rho)) -0.1213938E+00 Diamond 0.7239965E+00 Metallicity 0.3953988E+01 Ellipticity 0.8708200E-02 Gb(Abramov) 0.1609274E+00 Vb(Abramov) -0.2004611E+00 Hb(Abramov) -0.3953365E-01 Ex_ueg -0.4211090E-01 Ec_ueg -0.6346280E-02 Delta_ex -0.4902404E-01 Delta_ec 0.1299482E-01 Delta_et -0.1660587E+00 Pxc 0.6635524E+01 Qxc -0.3772584E+01 3,-1 144 3 -1 -0.558686 2.765363 -1.704260 Rho 0.1567439E+00 |GRAD(Rho)| 0.2057981E-15 GRAD(Rho)x 0.1092876E-15 GRAD(Rho)y 0.7529106E-16 GRAD(Rho)z 0.1572906E-15 Laplacian 0.6566605E+00 (-1/4)Del**2(Rho)) -0.1641651E+00 Diamond 0.1374208E+01 Metallicity 0.4781786E+01 Ellipticity 0.3397263E-01 Gb(Abramov) 0.2402772E+00 Vb(Abramov) -0.3163892E+00 Hb(Abramov) -0.7611204E-01 Ex_ueg -0.6241745E-01 Ec_ueg -0.8876611E-02 Delta_ex -0.7101834E-01 Delta_ec 0.1599757E-01 Delta_et -0.2130473E+00 Pxc 0.7031676E+01 Qxc -0.4439320E+01 3,-1 145 3 -1 -0.060127 3.199228 -3.055166 Rho 0.2209363E+00 |GRAD(Rho)| 0.7294379E-15 GRAD(Rho)x -0.1577921E-15 GRAD(Rho)y 0.5875834E-15 GRAD(Rho)z -0.4024016E-15 Laplacian 0.8305192E+00 (-1/4)Del**2(Rho)) -0.2076298E+00 Diamond 0.2649454E+01 Metallicity 0.6699495E+01 Ellipticity 0.3663490E-02 Gb(Abramov) 0.3702557E+00 Vb(Abramov) -0.5328815E+00 Hb(Abramov) -0.1626259E+00 Ex_ueg -0.9864489E-01 Ec_ueg -0.1313126E-01 Delta_ex -0.9815176E-01 Delta_ec 0.1869375E-01 Delta_et -0.2575829E+00 Pxc 0.7512218E+01 Qxc -0.5250513E+01 3,-1 146 3 +1 0.210290 2.975295 -0.183053 Rho 0.5875888E-02 |GRAD(Rho)| 0.1158303E-17 GRAD(Rho)x 0.2195703E-18 GRAD(Rho)y -0.8814565E-18 GRAD(Rho)z 0.7186723E-18 Laplacian 0.2448754E-01 (-1/4)Del**2(Rho)) -0.6121886E-02 Diamond 0.6577438E-03 Metallicity 0.5384232E+00 Ellipticity -0.2383713E+01 Gb(Abramov) 0.4630618E-02 Vb(Abramov) -0.3139351E-02 Hb(Abramov) 0.1491268E-02 Ex_ueg -0.7830985E-03 Ec_ueg -0.1847984E-03 Delta_ex -0.1217719E-02 Delta_ec 0.7018785E-03 Delta_et -0.4028189E-02 Pxc 0.4237583E+01 Qxc -0.1734943E+01 3,+1 147 3 -1 0.103916 3.231116 3.075485 Rho 0.2184587E+00 |GRAD(Rho)| 0.3215567E-10 GRAD(Rho)x 0.5313489E-11 GRAD(Rho)y 0.2110435E-10 GRAD(Rho)z 0.2367194E-10 Laplacian 0.8110841E+00 (-1/4)Del**2(Rho)) -0.2027710E+00 Diamond 0.2557290E+01 Metallicity 0.6732292E+01 Ellipticity 0.1350344E-02 Gb(Abramov) 0.3626996E+00 Vb(Abramov) -0.5226283E+00 Hb(Abramov) -0.1599286E+00 Ex_ueg -0.9717270E-01 Ec_ueg -0.1296275E-01 Delta_ex -0.9560396E-01 Delta_ec 0.1836581E-01 Delta_et -0.2531072E+00 Pxc 0.7496302E+01 Qxc -0.5205540E+01 3,-1 148 3 -1 0.524999 1.691624 -1.667235 Rho 0.5336791E-01 |GRAD(Rho)| 0.3712245E-15 GRAD(Rho)x 0.9041759E-16 GRAD(Rho)y 0.2696919E-15 GRAD(Rho)z 0.2385342E-15 Laplacian 0.2059165E+00 (-1/4)Del**2(Rho)) -0.5147913E-01 Diamond 0.1136691E+00 Metallicity 0.2531565E+01 Ellipticity 0.9496281E-02 Gb(Abramov) 0.5603988E-01 Vb(Abramov) -0.6060062E-01 Hb(Abramov) -0.4560747E-02 Ex_ueg -0.1483971E-01 Ec_ueg -0.2601868E-02 Delta_ex -0.1721532E-01 Delta_ec 0.6105080E-02 Delta_et -0.6546672E-01 Pxc 0.5703482E+01 Qxc -0.2819835E+01 3,-1 149 3 +1 1.438792 2.116501 -1.050655 Rho 0.2440410E-01 |GRAD(Rho)| 0.4068793E-16 GRAD(Rho)x -0.8884878E-17 GRAD(Rho)y -0.3860613E-16 GRAD(Rho)z -0.9280775E-17 Laplacian 0.9052277E-01 (-1/4)Del**2(Rho)) -0.2263069E-01 Diamond 0.1008640E-01 Metallicity 0.1563004E+01 Ellipticity -0.2556172E+01 Gb(Abramov) 0.2098244E-01 Vb(Abramov) -0.1933418E-01 Hb(Abramov) 0.1648254E-02 Ex_ueg -0.5227999E-02 Ec_ueg -0.1058759E-02 Delta_ex -0.5440659E-02 Delta_ec 0.1262515E-02 Delta_et -0.1114682E-01 Pxc 0.4937857E+01 Qxc -0.4309381E+01 3,+1 150 3 -1 0.859133 2.026751 -2.929449 Rho 0.1140744E+00 |GRAD(Rho)| 0.1154683E-14 GRAD(Rho)x 0.9455734E-15 GRAD(Rho)y -0.5230124E-15 GRAD(Rho)z -0.4069926E-15 Laplacian 0.4445183E+00 (-1/4)Del**2(Rho)) -0.1111296E+00 Diamond 0.6452247E+00 Metallicity 0.4159459E+01 Ellipticity 0.4609469E-01 Gb(Abramov) 0.1511262E+00 Vb(Abramov) -0.1911228E+00 Hb(Abramov) -0.3999663E-01 Ex_ueg -0.4086038E-01 Ec_ueg -0.6185244E-02 Delta_ex -0.4464177E-01 Delta_ec 0.1196438E-01 Delta_et -0.1522839E+00 Pxc 0.6606107E+01 Qxc -0.3731225E+01 3,-1 151 3 -1 0.884337 3.000344 -1.902588 Rho 0.1476453E+00 |GRAD(Rho)| 0.4637532E-15 GRAD(Rho)x -0.4247362E-15 GRAD(Rho)y -0.9183192E-16 GRAD(Rho)z 0.1619663E-15 Laplacian 0.5723764E+00 (-1/4)Del**2(Rho)) -0.1430941E+00 Diamond 0.1133157E+01 Metallicity 0.4965512E+01 Ellipticity 0.7281331E-01 Gb(Abramov) 0.2138186E+00 Vb(Abramov) -0.2845432E+00 Hb(Abramov) -0.7072454E-01 Ex_ueg -0.5763387E-01 Ec_ueg -0.8292948E-02 Delta_ex -0.6117933E-01 Delta_ec 0.1449006E-01 Delta_et -0.1922613E+00 Pxc 0.6949744E+01 Qxc -0.4222159E+01 3,-1 152 3 -1 0.604668 2.849539 1.704679 Rho 0.1722607E+00 |GRAD(Rho)| 0.7779886E-16 GRAD(Rho)x 0.2314772E-16 GRAD(Rho)y 0.6427964E-16 GRAD(Rho)z -0.3721524E-16 Laplacian 0.7031463E+00 (-1/4)Del**2(Rho)) -0.1757866E+00 Diamond 0.1659905E+01 Metallicity 0.5226500E+01 Ellipticity 0.3424208E-01 Gb(Abramov) 0.2703158E+00 Vb(Abramov) -0.3648450E+00 Hb(Abramov) -0.9452923E-01 Ex_ueg -0.7078912E-01 Ec_ueg -0.9883433E-02 Delta_ex -0.7796068E-01 Delta_ec 0.1689020E-01 Delta_et -0.2278792E+00 Pxc 0.7162402E+01 Qxc -0.4615734E+01 3,-1 153 3 -1 1.912006 -0.898071 3.059200 Rho 0.1532701E+00 |GRAD(Rho)| 0.2206441E-15 GRAD(Rho)x 0.1152507E-15 GRAD(Rho)y 0.1881497E-15 GRAD(Rho)z -0.8809143E-18 Laplacian 0.5925126E+00 (-1/4)Del**2(Rho)) -0.1481282E+00 Diamond 0.1229639E+01 Metallicity 0.5105184E+01 Ellipticity 0.6313083E-01 Gb(Abramov) 0.2247890E+00 Vb(Abramov) -0.3014499E+00 Hb(Abramov) -0.7666086E-01 Ex_ueg -0.6057988E-01 Ec_ueg -0.8653176E-02 Delta_ex -0.6394385E-01 Delta_ec 0.1490797E-01 Delta_et -0.1989360E+00 Pxc 0.7000883E+01 Qxc -0.4289240E+01 3,-1 154 3 -1 2.664497 -0.584339 -1.889504 Rho 0.1144483E+00 |GRAD(Rho)| 0.1892095E-12 GRAD(Rho)x 0.5429910E-13 GRAD(Rho)y -0.1060931E-12 GRAD(Rho)z 0.1469561E-12 Laplacian 0.4632132E+00 (-1/4)Del**2(Rho)) -0.1158033E+00 Diamond 0.6824334E+00 Metallicity 0.4013420E+01 Ellipticity 0.6872584E-02 Gb(Abramov) 0.1546634E+00 Vb(Abramov) -0.1935235E+00 Hb(Abramov) -0.3886012E-01 Ex_ueg -0.4103908E-01 Ec_ueg -0.6208301E-02 Delta_ex -0.4666140E-01 Delta_ec 0.1264741E-01 Delta_et -0.1613633E+00 Pxc 0.6610357E+01 Qxc -0.3689403E+01 3,-1 155 3 -1 2.740155 0.517805 1.854733 Rho 0.1002936E+00 |GRAD(Rho)| 0.2513121E-15 GRAD(Rho)x 0.8253828E-16 GRAD(Rho)y 0.1809059E-15 GRAD(Rho)z -0.1536823E-15 Laplacian 0.4188849E+00 (-1/4)Del**2(Rho)) -0.1047212E+00 Diamond 0.5232648E+00 Metallicity 0.3561564E+01 Ellipticity 0.8087998E-02 Gb(Abramov) 0.1319760E+00 Vb(Abramov) -0.1592308E+00 Hb(Abramov) -0.2725481E-01 Ex_ueg -0.3441514E-01 Ec_ueg -0.5342842E-02 Delta_ex -0.4085687E-01 Delta_ec 0.1168648E-01 Delta_et -0.1452708E+00 Pxc 0.6441354E+01 Qxc -0.3496080E+01 3,-1 156 3 -1 1.914231 0.836519 -3.073481 Rho 0.1440234E+00 |GRAD(Rho)| 0.1374173E-15 GRAD(Rho)x 0.9869628E-16 GRAD(Rho)y -0.4485886E-17 GRAD(Rho)z -0.9551144E-16 Laplacian 0.5407305E+00 (-1/4)Del**2(Rho)) -0.1351826E+00 Diamond 0.1052894E+01 Metallicity 0.5042983E+01 Ellipticity 0.5113793E-01 Gb(Abramov) 0.2037424E+00 Vb(Abramov) -0.2723021E+00 Hb(Abramov) -0.6855975E-01 Ex_ueg -0.5575655E-01 Ec_ueg -0.8062032E-02 Delta_ex -0.5759157E-01 Delta_ec 0.1403328E-01 Delta_et -0.1861117E+00 Pxc 0.6915943E+01 Qxc -0.4103929E+01 3,-1 157 3 +1 1.207590 1.211076 -2.205512 Rho 0.2741068E-01 |GRAD(Rho)| 0.3974956E-16 GRAD(Rho)x -0.1663290E-16 GRAD(Rho)y 0.1989682E-16 GRAD(Rho)z -0.3012459E-16 Laplacian 0.1068847E+00 (-1/4)Del**2(Rho)) -0.2672118E-01 Diamond 0.1632170E-01 Metallicity 0.1606561E+01 Ellipticity -0.5778794E+01 Gb(Abramov) 0.2496899E-01 Vb(Abramov) -0.2321680E-01 Hb(Abramov) 0.1752191E-02 Ex_ueg -0.6103958E-02 Ec_ueg -0.1210838E-02 Delta_ex -0.6857130E-02 Delta_ec 0.1891427E-02 Delta_et -0.1706055E-01 Pxc 0.5041103E+01 Qxc -0.3625374E+01 3,+1 158 3 -1 2.688056 -1.778049 -0.639862 Rho 0.1519290E+00 |GRAD(Rho)| 0.1693155E-11 GRAD(Rho)x 0.1325754E-11 GRAD(Rho)y 0.2634800E-12 GRAD(Rho)z -0.1019672E-11 Laplacian 0.6181907E+00 (-1/4)Del**2(Rho)) -0.1545477E+00 Diamond 0.1262122E+01 Metallicity 0.4821980E+01 Ellipticity 0.2027403E-01 Gb(Abramov) 0.2272361E+00 Vb(Abramov) -0.2999245E+00 Hb(Abramov) -0.7268840E-01 Ex_ueg -0.5987417E-01 Ec_ueg -0.8567115E-02 Delta_ex -0.6649880E-01 Delta_ec 0.1545998E-01 Delta_et -0.2057545E+00 Pxc 0.6988836E+01 Qxc -0.4301351E+01 3,-1 159 3 -1 -3.058787 0.003951 -3.204351 Rho 0.2116402E+00 |GRAD(Rho)| 0.8039196E-14 GRAD(Rho)x -0.7303348E-14 GRAD(Rho)y 0.3962488E-15 GRAD(Rho)z -0.3336578E-14 Laplacian 0.7973837E+00 (-1/4)Del**2(Rho)) -0.1993459E+00 Diamond 0.2418039E+01 Metallicity 0.6495453E+01 Ellipticity 0.2351136E-01 Gb(Abramov) 0.3487043E+00 Vb(Abramov) -0.4980627E+00 Hb(Abramov) -0.1493584E+00 Ex_ueg -0.9314996E-01 Ec_ueg -0.1250076E-01 Delta_ex -0.9321086E-01 Delta_ec 0.1819582E-01 Delta_et -0.2501951E+00 Pxc 0.7451546E+01 Qxc -0.5122654E+01 3,-1 160 3 -1 -1.855538 -1.636401 -0.543600 Rho 0.5569269E-01 |GRAD(Rho)| 0.4387783E-14 GRAD(Rho)x -0.3241382E-14 GRAD(Rho)y -0.2571793E-14 GRAD(Rho)z 0.1460124E-14 Laplacian 0.2183518E+00 (-1/4)Del**2(Rho)) -0.5458795E-01 Diamond 0.1281244E+00 Metallicity 0.2563225E+01 Ellipticity 0.1096494E-01 Gb(Abramov) 0.5971216E-01 Vb(Abramov) -0.6483637E-01 Hb(Abramov) -0.5124212E-02 Ex_ueg -0.1570782E-01 Ec_ueg -0.2731879E-02 Delta_ex -0.1846824E-01 Delta_ec 0.6498103E-02 Delta_et -0.7045935E-01 Pxc 0.5749822E+01 Qxc -0.2842097E+01 3,-1 161 3 -1 -1.987736 -0.982801 -3.298721 Rho 0.2215898E+00 |GRAD(Rho)| 0.2012394E-15 GRAD(Rho)x -0.5973954E-16 GRAD(Rho)y 0.1740144E-15 GRAD(Rho)z 0.8153200E-16 Laplacian 0.8289000E+00 (-1/4)Del**2(Rho)) -0.2072250E+00 Diamond 0.2648747E+01 Metallicity 0.6745703E+01 Ellipticity 0.1005883E-01 Gb(Abramov) 0.3711297E+00 Vb(Abramov) -0.5350344E+00 Hb(Abramov) -0.1639047E+00 Ex_ueg -0.9903408E-01 Ec_ueg -0.1317576E-01 Delta_ex -0.9800604E-01 Delta_ec 0.1858918E-01 Delta_et -0.2559725E+00 Pxc 0.7516385E+01 Qxc -0.5272209E+01 3,-1 162 3 -1 -0.549470 -1.857824 2.776990 Rho 0.1053435E+00 |GRAD(Rho)| 0.4127575E-14 GRAD(Rho)x 0.2372068E-14 GRAD(Rho)y -0.3272752E-14 GRAD(Rho)z -0.8362180E-15 Laplacian 0.4344745E+00 (-1/4)Del**2(Rho)) -0.1086186E+00 Diamond 0.5775760E+00 Metallicity 0.3726735E+01 Ellipticity 0.6521057E-02 Gb(Abramov) 0.1398779E+00 Vb(Abramov) -0.1711371E+00 Hb(Abramov) -0.3125926E-01 Ex_ueg -0.3674476E-01 Ec_ueg -0.5649864E-02 Delta_ex -0.4289406E-01 Delta_ec 0.1203873E-01 Delta_et -0.1511573E+00 Pxc 0.6503654E+01 Qxc -0.3563005E+01 3,-1 163 3 -1 -0.078164 -3.259997 3.155401 Rho 0.2216550E+00 |GRAD(Rho)| 0.2967330E-15 GRAD(Rho)x 0.3810971E-16 GRAD(Rho)y 0.1715208E-15 GRAD(Rho)z -0.2391208E-15 Laplacian 0.8240786E+00 (-1/4)Del**2(Rho)) -0.2060197E+00 Diamond 0.2643565E+01 Metallicity 0.6788496E+01 Ellipticity 0.3976831E-02 Gb(Abramov) 0.3704404E+00 Vb(Abramov) -0.5348611E+00 Hb(Abramov) -0.1644207E+00 Ex_ueg -0.9907292E-01 Ec_ueg -0.1318020E-01 Delta_ex -0.9749840E-01 Delta_ec 0.1857769E-01 Delta_et -0.2562128E+00 Pxc 0.7516800E+01 Qxc -0.5248144E+01 3,-1 164 3 -1 0.347618 0.343712 -0.433475 Rho 0.1348932E+00 |GRAD(Rho)| 0.8862471E-16 GRAD(Rho)x 0.7689545E-17 GRAD(Rho)y 0.8595622E-16 GRAD(Rho)z -0.2016775E-16 Laplacian 0.6888023E+00 (-1/4)Del**2(Rho)) -0.1722006E+00 Diamond 0.1470866E+01 Metallicity 0.3549513E+01 Ellipticity 0.3041198E-02 Gb(Abramov) 0.2166717E+00 Vb(Abramov) -0.2611429E+00 Hb(Abramov) -0.4447117E-01 Ex_ueg -0.5109423E-01 Ec_ueg -0.7483593E-02 Delta_ex -0.7485751E-01 Delta_ec 0.2289722E-01 Delta_et -0.3098349E+00 Pxc 0.6827500E+01 Qxc -0.3269284E+01 3,-1 165 3 -1 1.775738 -0.639716 -3.024749 Rho 0.2259711E+00 |GRAD(Rho)| 0.3111202E-15 GRAD(Rho)x -0.2493123E-15 GRAD(Rho)y -0.1680513E-15 GRAD(Rho)z -0.7998702E-16 Laplacian 0.8473931E+00 (-1/4)Del**2(Rho)) -0.2118483E+00 Diamond 0.2778016E+01 Metallicity 0.6817363E+01 Ellipticity 0.9693403E-02 Gb(Abramov) 0.3819400E+00 Vb(Abramov) -0.5520317E+00 Hb(Abramov) -0.1700917E+00 Ex_ueg -0.1016535E+00 Ec_ueg -0.1347473E-01 Delta_ex -0.1007353E+00 Delta_ec 0.1895498E-01 Delta_et -0.2614988E+00 Pxc 0.7544009E+01 Qxc -0.5314452E+01 3,-1 166 3 -1 -3.276756 3.071029 -0.020751 Rho 0.2173555E+00 |GRAD(Rho)| 0.2294469E-15 GRAD(Rho)x 0.2786400E-16 GRAD(Rho)y -0.2257851E-15 GRAD(Rho)z 0.2984266E-16 Laplacian 0.8087122E+00 (-1/4)Del**2(Rho)) -0.2021780E+00 Diamond 0.2530445E+01 Metallicity 0.6695303E+01 Ellipticity 0.1119079E-01 Gb(Abramov) 0.3603926E+00 Vb(Abramov) -0.5186071E+00 Hb(Abramov) -0.1582145E+00 Ex_ueg -0.9651894E-01 Ec_ueg -0.1288783E-01 Delta_ex -0.9517614E-01 Delta_ec 0.1829631E-01 Delta_et -0.2519113E+00 Pxc 0.7489156E+01 Qxc -0.5201932E+01 3,-1 167 3 -1 -3.332090 -3.040512 0.064241 Rho 0.2204721E+00 |GRAD(Rho)| 0.2946888E-15 GRAD(Rho)x 0.2820552E-15 GRAD(Rho)y -0.1425726E-16 GRAD(Rho)z -0.8416119E-16 Laplacian 0.8411952E+00 (-1/4)Del**2(Rho)) -0.2102988E+00 Diamond 0.2671192E+01 Metallicity 0.6591320E+01 Ellipticity 0.3149768E-02 Gb(Abramov) 0.3712236E+00 Vb(Abramov) -0.5321485E+00 Hb(Abramov) -0.1609248E+00 Ex_ueg -0.9836861E-01 Ec_ueg -0.1309966E-01 Delta_ex -0.9932633E-01 Delta_ec 0.1888651E-01 Delta_et -0.2599752E+00 Pxc 0.7509249E+01 Qxc -0.5259114E+01 3,-1 168 3 -1 -0.847230 3.019772 1.930068 Rho 0.1527164E+00 |GRAD(Rho)| 0.9852603E-12 GRAD(Rho)x -0.7739968E-12 GRAD(Rho)y 0.4200770E-12 GRAD(Rho)z -0.4418168E-12 Laplacian 0.5824554E+00 (-1/4)Del**2(Rho)) -0.1456139E+00 Diamond 0.1203085E+01 Metallicity 0.5162101E+01 Ellipticity 0.6191575E-01 Gb(Abramov) 0.2223548E+00 Vb(Abramov) -0.2990958E+00 Hb(Abramov) -0.7674095E-01 Ex_ueg -0.6028823E-01 Ec_ueg -0.8617628E-02 Delta_ex -0.6279813E-01 Delta_ec 0.1466057E-01 Delta_et -0.1955210E+00 Pxc 0.6995920E+01 Qxc -0.4283471E+01 3,-1 169 3 -1 3.088380 0.018358 3.259006 Rho 0.2218394E+00 |GRAD(Rho)| 0.2112045E-13 GRAD(Rho)x -0.1559327E-13 GRAD(Rho)y -0.1416517E-13 GRAD(Rho)z 0.1507095E-14 Laplacian 0.8109986E+00 (-1/4)Del**2(Rho)) -0.2027496E+00 Diamond 0.2614082E+01 Metallicity 0.6907554E+01 Ellipticity 0.7035732E-02 Gb(Abramov) 0.3685838E+00 Vb(Abramov) -0.5344179E+00 Hb(Abramov) -0.1658342E+00 Ex_ueg -0.9918288E-01 Ec_ueg -0.1319277E-01 Delta_ex -0.9602990E-01 Delta_ec 0.1838266E-01 Delta_et -0.2539513E+00 Pxc 0.7517974E+01 Qxc -0.5223941E+01 3,-1 170 3 -1 -3.090372 -0.046748 3.302745 Rho 0.2214416E+00 |GRAD(Rho)| 0.1596511E-10 GRAD(Rho)x 0.1133718E-10 GRAD(Rho)y 0.3133451E-11 GRAD(Rho)z -0.1079511E-10 Laplacian 0.8212363E+00 (-1/4)Del**2(Rho)) -0.2053091E+00 Diamond 0.2634009E+01 Metallicity 0.6801068E+01 Ellipticity 0.1103122E-02 Gb(Abramov) 0.3695929E+00 Vb(Abramov) -0.5338767E+00 Hb(Abramov) -0.1642838E+00 Ex_ueg -0.9894581E-01 Ec_ueg -0.1316567E-01 Delta_ex -0.9715338E-01 Delta_ec 0.1854634E-01 Delta_et -0.2558776E+00 Pxc 0.7515442E+01 Qxc -0.5238411E+01 3,-1 171 3 -1 -2.065891 2.907528 0.867371 Rho 0.9875784E-01 |GRAD(Rho)| 0.4284871E-15 GRAD(Rho)x -0.3434888E-16 GRAD(Rho)y -0.2660158E-15 GRAD(Rho)z -0.3341511E-15 Laplacian 0.3893893E+00 (-1/4)Del**2(Rho)) -0.9734732E-01 Diamond 0.4743789E+00 Metallicity 0.3734065E+01 Ellipticity 0.2248764E-01 Gb(Abramov) 0.1254817E+00 Vb(Abramov) -0.1536162E+00 Hb(Abramov) -0.2813443E-01 Ex_ueg -0.3371428E-01 Ec_ueg -0.5249868E-02 Delta_ex -0.3779049E-01 Delta_ec 0.1080526E-01 Delta_et -0.1337904E+00 Pxc 0.6421928E+01 Qxc -0.3497415E+01 3,-1 172 3 -1 0.869764 -3.059408 2.008539 Rho 0.1619558E+00 |GRAD(Rho)| 0.1940498E-13 GRAD(Rho)x -0.1012143E-13 GRAD(Rho)y -0.6039914E-14 GRAD(Rho)z 0.1541523E-13 Laplacian 0.6198917E+00 (-1/4)Del**2(Rho)) -0.1549729E+00 Diamond 0.1371270E+01 Metallicity 0.5349231E+01 Ellipticity 0.7913740E-01 Gb(Abramov) 0.2414796E+00 Vb(Abramov) -0.3279863E+00 Hb(Abramov) -0.8650668E-01 Ex_ueg -0.6519990E-01 Ec_ueg -0.9213196E-02 Delta_ex -0.6778865E-01 Delta_ec 0.1532936E-01 Delta_et -0.2058923E+00 Pxc 0.7076795E+01 Qxc -0.4422145E+01 3,-1 173 3 -1 2.941465 -0.868190 2.050550 Rho 0.1733038E+00 |GRAD(Rho)| 0.5861679E-13 GRAD(Rho)x -0.2285547E-13 GRAD(Rho)y 0.3723958E-13 GRAD(Rho)z 0.3907390E-13 Laplacian 0.6595184E+00 (-1/4)Del**2(Rho)) -0.1648796E+00 Diamond 0.1581605E+01 Metallicity 0.5628591E+01 Ellipticity 0.5982154E-01 Gb(Abramov) 0.2645930E+00 Vb(Abramov) -0.3643065E+00 Hb(Abramov) -0.9971344E-01 Ex_ueg -0.7136126E-01 Ec_ueg -0.9951626E-02 Delta_ex -0.7334429E-01 Delta_ec 0.1601319E-01 Delta_et -0.2167530E+00 Pxc 0.7170814E+01 Qxc -0.4580243E+01 3,-1 174 3 -1 3.112106 -0.077912 -3.263727 Rho 0.2150764E+00 |GRAD(Rho)| 0.3181229E-12 GRAD(Rho)x -0.2569659E-12 GRAD(Rho)y 0.2927910E-13 GRAD(Rho)z 0.1852388E-12 Laplacian 0.7965101E+00 (-1/4)Del**2(Rho)) -0.1991275E+00 Diamond 0.2470162E+01 Metallicity 0.6679489E+01 Ellipticity 0.1995853E-01 Gb(Abramov) 0.3544300E+00 Vb(Abramov) -0.5097325E+00 Hb(Abramov) -0.1553025E+00 Ex_ueg -0.9517191E-01 Ec_ueg -0.1273326E-01 Delta_ex -0.9354252E-01 Delta_ec 0.1817642E-01 Delta_et -0.2504991E+00 Pxc 0.7474278E+01 Qxc -0.5146368E+01 3,-1 175 3 -1 -3.079626 1.897686 0.917690 Rho 0.1475655E+00 |GRAD(Rho)| 0.5558736E-13 GRAD(Rho)x 0.1645827E-13 GRAD(Rho)y -0.4449036E-13 GRAD(Rho)z 0.2897736E-13 Laplacian 0.5613970E+00 (-1/4)Del**2(Rho)) -0.1403493E+00 Diamond 0.1119850E+01 Metallicity 0.5058063E+01 Ellipticity 0.5935189E-01 Gb(Abramov) 0.2118821E+00 Vb(Abramov) -0.2834149E+00 Hb(Abramov) -0.7153281E-01 Ex_ueg -0.5759233E-01 Ec_ueg -0.8287851E-02 Delta_ex -0.6009098E-01 Delta_ec 0.1438035E-01 Delta_et -0.1911681E+00 Pxc 0.6949007E+01 Qxc -0.4178686E+01 3,-1 176 3 -1 -2.708635 -0.515110 1.885273 Rho 0.1002808E+00 |GRAD(Rho)| 0.2815803E-15 GRAD(Rho)x -0.1196231E-15 GRAD(Rho)y -0.1813193E-15 GRAD(Rho)z -0.1791678E-15 Laplacian 0.4107074E+00 (-1/4)Del**2(Rho)) -0.1026768E+00 Diamond 0.5113659E+00 Metallicity 0.3631701E+01 Ellipticity 0.1053192E-01 Gb(Abramov) 0.1305998E+00 Vb(Abramov) -0.1585228E+00 Hb(Abramov) -0.2792299E-01 Ex_ueg -0.3440926E-01 Ec_ueg -0.5342063E-02 Delta_ex -0.4003073E-01 Delta_ec 0.1140985E-01 Delta_et -0.1417686E+00 Pxc 0.6441192E+01 Qxc -0.3508436E+01 3,-1 177 3 -1 0.541698 1.830923 2.661384 Rho 0.1345165E+00 |GRAD(Rho)| 0.4544399E-15 GRAD(Rho)x 0.3686965E-15 GRAD(Rho)y -0.1909822E-15 GRAD(Rho)z 0.1846735E-15 Laplacian 0.5528271E+00 (-1/4)Del**2(Rho)) -0.1382068E+00 Diamond 0.9760282E+00 Metallicity 0.4401995E+01 Ellipticity 0.8254917E-02 Gb(Abramov) 0.1935354E+00 Vb(Abramov) -0.2488641E+00 Hb(Abramov) -0.5532866E-01 Ex_ueg -0.5090404E-01 Ec_ueg -0.7459838E-02 Delta_ex -0.5773197E-01 Delta_ec 0.1426455E-01 Delta_et -0.1865714E+00 Pxc 0.6823746E+01 Qxc -0.4047234E+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 80 162 142 81 172 163 87 123 164 124 148 143 144 150 151 145 118 177 152 140 168 147 130 158 131 133 132 136 100 106 103 107 102 137 138 113 122 175 171 166 160 57 62 55 61 167 82 110 116 139 161 159 117 176 115 108 119 170 89 155 95 173 153 169 94 154 165 105 156 174 64 84 70 92 79 67 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 21 21 22 25 28 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 28 36 24 27 52 52 2.389915 2.032718 1.839628 2.035251 1.871786 1.746516 1.664560 1.646517 1.666347 1.666612 2.339457 1.989789 1.871622 2.012854 1.907318 1.747694 2.365077 1.935832 1.836463 2.130769 1.896861 1.752503 2.331192 1.885607 1.762488 2.184462 2.086155 1.757139 2.493053 1.864090 2.095997 1.809965 2.020910 1.747916 2.379645 1.788184 2.039971 1.908628 2.073149 1.754493 2.315571 1.879521 2.097793 1.876767 1.967479 1.747851 2.213787 2.314712 1.901104 2.056283 1.746661 1.765248 2.399709 2.054618 1.865171 2.018749 1.852432 1.747023 2.481700 2.049629 1.968928 1.845992 1.891982 1.746611 2.392784 1.999216 1.740119 2.274985 1.919892 1.758888 3.025992 3.027634 3.193606 3.208377 1.818507 0.996277 2.390677 2.033168 1.840327 2.035924 1.872332 1.746542 1.664573 1.646629 1.666356 1.666620 2.340198 1.990322 1.872288 2.013622 1.907970 1.747728 2.365774 1.936433 1.836911 2.131338 1.897537 1.752539 2.331890 1.886152 1.762646 2.185235 2.086774 1.757187 2.493697 1.864667 2.096517 1.810280 2.021567 1.747937 2.380344 1.788621 2.040365 1.909214 2.073821 1.754515 2.316478 1.880325 2.098305 1.877310 1.968875 1.747880 2.214863 2.314968 1.901666 2.056905 1.746683 1.765353 2.400407 2.055213 1.865857 2.019437 1.852931 1.747057 2.482333 2.050137 1.969753 1.846546 1.892498 1.746644 2.393691 1.999898 1.740145 2.275514 1.920522 1.758929 3.036142 3.031061 3.201144 3.213947 1.822300 0.996392 30 24 22 27 24 22 24 21 22 23 27 23 23 25 23 22 27 25 22 25 23 25 27 25 23 27 25 23 29 24 27 24 26 24 27 22 24 24 25 21 27 23 27 23 23 21 28 27 23 25 22 23 27 25 23 25 23 22 31 24 25 22 23 23 28 25 21 27 24 23 33 33 35 35 27 22 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Mo Si Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.3019 1.9652 2.3068 2.3007 2.2446 2.2678 2.2882 2.3012 2.2647 2.2837 2.2617 2.1967 -1.1487 -1.1117 -1.1425 -1.1454 -0.9025 -0.9470 -0.8419 -0.9149 -0.7112 -0.9222 -0.9347 -0.9056 -0.9094 -0.8952 -0.9022 -0.7756 -0.8960 -0.9309 -0.8753 -0.9302 -0.9193 -0.9399 -0.9013 -0.7514 -0.7945 -0.9270 -0.9198 -0.9202 -0.7598 -0.7902 -0.7575 -0.7783 -0.7832 -0.7701 -0.7805 -0.7562 -0.7907 -0.7619 -0.7666 0.3284 1.9042 2.3204 1.9101 1.9224 1.9476 1.9313 1.9135 1.9476 1.9507 1.9199 1.9321 1.9539 1.9023 1.9024 1.9030 1.9015 1.9429 1.9425 1.9624 1.9424 1.9824 1.9395 1.9397 1.9430 1.9427 1.9464 1.9470 1.9763 1.9532 1.9461 1.9585 1.9463 1.9460 1.9455 1.9513 1.9683 1.8768 1.9472 1.9489 1.9460 1.9677 1.9636 1.9677 1.9650 1.9646 1.9672 1.9647 1.9669 1.9614 1.9675 1.9672 0.5278 6.1059 7.1316 6.1091 6.1007 6.1124 6.1092 6.1037 6.0984 6.0957 6.1102 6.1154 6.1303 5.2195 5.1832 5.2126 5.2162 4.9343 4.9777 4.8498 4.9463 4.6952 4.9581 4.9694 4.9357 4.9404 4.9206 4.9276 4.7688 4.9160 4.9557 4.8880 4.9563 4.9453 4.9673 4.9216 4.7524 4.8896 4.9537 4.9425 4.9466 4.7615 4.7979 4.7594 4.7836 4.7897 4.7725 4.7864 4.7591 4.8014 4.7639 4.7688 0.1438 3.6881 0.5829 3.6739 3.6762 3.6954 3.6917 3.6946 3.6528 3.6889 3.6862 3.6908 3.7191 0.0270 0.0262 0.0269 0.0278 0.0254 0.0267 0.0297 0.0262 0.0336 0.0245 0.0256 0.0269 0.0264 0.0281 0.0277 0.0305 0.0269 0.0291 0.0288 0.0276 0.0281 0.0272 0.0284 0.0307 0.0281 0.0260 0.0283 0.0275 0.0306 0.0288 0.0304 0.0296 0.0289 0.0305 0.0294 0.0302 0.0279 0.0305 0.0307 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 Mo Si Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 3.172222 1.767396 3.180239 3.171216 3.146080 3.159132 3.160222 3.182970 3.158728 3.168761 3.168610 3.134315 -1.187965 -1.135872 -1.185361 -1.192423 -1.185668 -1.216897 -1.125519 -1.197825 -0.998220 -1.207502 -1.209998 -1.190406 -1.191523 -1.170795 -1.184715 -0.967871 -1.164232 -1.183521 -1.150002 -1.195149 -1.188359 -1.200474 -1.168555 -1.022292 -0.743534 -1.191075 -1.181658 -1.186342 -1.031364 -1.065870 -1.028132 -1.052525 -1.058834 -1.043812 -1.056774 -1.025684 -1.060918 -1.034202 -1.040601 0.052575 2.373546 1.357318 2.377504 2.366404 2.340989 2.369064 2.361971 2.367544 2.372734 2.372896 2.369327 2.355476 -0.901148 -0.859332 -0.903570 -0.905413 -0.916184 -0.928284 -0.889963 -0.935343 -0.785365 -0.917664 -0.926927 -0.920592 -0.920509 -0.910514 -0.926695 -0.763017 -0.954647 -0.939938 -0.941050 -0.965135 -0.958847 -0.976098 -0.952924 -0.808648 -0.897341 -0.974721 -0.959221 -0.955032 -0.807563 -0.860830 -0.809140 -0.836598 -0.848056 -0.820048 -0.838125 -0.795654 -0.871285 -0.811660 -0.820469 0.328779 2.455791 1.338853 2.467747 2.448352 2.407725 2.447820 2.439574 2.487840 2.454907 2.455161 2.456075 2.421904 -0.906341 -0.911867 -0.912804 -0.914024 -1.005784 -1.006828 -0.932501 -1.025624 -0.798967 -1.006554 -1.034324 -0.990813 -0.994139 -1.025745 -0.991592 -0.836062 -0.984673 -0.977560 -0.961423 -1.011635 -0.990526 -1.038601 -0.983341 -0.802460 -0.950201 -1.020233 -1.010913 -0.989720 -0.764751 -0.826290 -0.765815 -0.795862 -0.805533 -0.783522 -0.796025 -0.780323 -0.853740 -0.771565 -0.786082 0.463012 0.86845685 -2.62992886 -0.20804395 2.77741343 -16.94379437 0.99051647 -2.69351907 13.27001172 8.95177481 3.67378265 -315.2140 404.1756 -124.5850 -351.6630 -58.5383 -445.8248 Mar07-2024 00:02:57 Nodes: 1 Procs: 1 Mar07-2024 00:02:58 Nodes: 1 Procs: 1 0 Mar07-2024 00:02:58 Nodes: 1 Procs: 1 Mar07-2024 00:02:59 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar07-2024 00:02:59 Nodes: 1 Procs: 1 Mar07-2024 00:03:00 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar07-2024 00:03:01 Nodes: 1 Procs: 1 Mar07-2024 00:03:01 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar07-2024 00:03:02 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -16.34172305 -16.36917633 -16.37670685 -16.37979890 -16.38278201 -16.38329106 -16.38354312 -16.38358431 -16.38361110 -16.38363303 -16.38366183 -16.38368087 -16.38369995 -16.38371989 -16.38371760 -16.38373013 -16.38373616 -16.38373329 -16.38371487 -16.38369273 -16.38371007 -16.38367660 -16.38372524 -16.38373451 -16.38372104 -16.38372788 -16.38374365 -16.38376150 GEOMETRY CONVERGED