ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 22:14:52 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 2.32 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun12-2024 22:14:52 Nodes: 1 Procs: 1 Jun12-2024 22:14:54 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 22:14:57 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.07 0.04 1.29 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 Jun12-2024 22:14:52 Nodes: 1 Procs: 1 Jun12-2024 22:14:54 Nodes: 1 Procs: 1 0 Jun12-2024 22:14:57 Nodes: 1 Procs: 1 Jun12-2024 22:14:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 22:15:01 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.04 1.15 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 Jun12-2024 22:14:52 Nodes: 1 Procs: 1 Jun12-2024 22:14:54 Nodes: 1 Procs: 1 0 Jun12-2024 22:14:57 Nodes: 1 Procs: 1 Jun12-2024 22:14:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 22:15:01 Nodes: 1 Procs: 1 Jun12-2024 22:15:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 22:15:04 Arsenic (TZP, 3p frozen) c11-50 c11-50 c11-50 c11-50 c11-50 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.05 2.46 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 Jun12-2024 22:14:52 Nodes: 1 Procs: 1 Jun12-2024 22:14:54 Nodes: 1 Procs: 1 0 Jun12-2024 22:14:57 Nodes: 1 Procs: 1 Jun12-2024 22:14:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 22:15:01 Nodes: 1 Procs: 1 Jun12-2024 22:15:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 22:15:04 Nodes: 1 Procs: 1 Jun12-2024 22:15:06 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 22:15:10 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2129.8775999999975 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GRAD(Rho)y -0.3484959E-14 GRAD(Rho)z 0.3090489E-14 Laplacian 0.1087671E+00 (-1/4)Del**2(Rho)) -0.2719178E-01 Diamond 0.1530504E-01 Metallicity 0.1571300E+01 Ellipticity -0.3056580E+01 Gb(Abramov) 0.2524893E-01 Vb(Abramov) -0.2330607E-01 Hb(Abramov) 0.1942855E-02 Ex_ueg -0.6080882E-02 Ec_ueg -0.1206876E-02 Delta_ex -0.6853106E-02 Delta_ec 0.1711383E-02 Delta_et -0.1545976E-01 Pxc 0.5038532E+01 Qxc -0.4004425E+01 3,+1 56 3 -1 -3.031285 -0.879445 -1.933139 Rho 0.1523921E+00 |GRAD(Rho)| 0.2387540E-13 GRAD(Rho)x -0.1486739E-14 GRAD(Rho)y -0.2295551E-13 GRAD(Rho)z -0.6392849E-14 Laplacian 0.5977001E+00 (-1/4)Del**2(Rho)) -0.1494250E+00 Diamond 0.1238956E+01 Metallicity 0.5012650E+01 Ellipticity 0.4915414E-01 Gb(Abramov) 0.2244526E+00 Vb(Abramov) -0.2994801E+00 Hb(Abramov) -0.7502755E-01 Ex_ueg -0.6011762E-01 Ec_ueg -0.8596820E-02 Delta_ex -0.6448144E-01 Delta_ec 0.1518342E-01 Delta_et -0.2027464E+00 Pxc 0.6993006E+01 Qxc -0.4246832E+01 3,-1 57 3 -1 -3.094797 3.284504 -0.065203 Rho 0.2397719E+00 |GRAD(Rho)| 0.6205486E-14 GRAD(Rho)x 0.5650916E-14 GRAD(Rho)y -0.1501403E-14 GRAD(Rho)z -0.2078700E-14 Laplacian 0.8616918E+00 (-1/4)Del**2(Rho)) -0.2154230E+00 Diamond 0.3054627E+01 Metallicity 0.7400455E+01 Ellipticity 0.1561786E-02 Gb(Abramov) 0.4093199E+00 Vb(Abramov) -0.6032169E+00 Hb(Abramov) -0.1938970E+00 Ex_ueg -0.1100144E+00 Ec_ueg -0.1442335E-01 Delta_ex -0.1041403E+00 Delta_ec 0.1914130E-01 Delta_et -0.2655748E+00 Pxc 0.7627521E+01 Qxc -0.5440606E+01 3,-1 58 3 -1 -1.683780 1.779225 0.533871 Rho 0.4470231E-01 |GRAD(Rho)| 0.6458846E-13 GRAD(Rho)x -0.2159588E-13 GRAD(Rho)y 0.5624623E-13 GRAD(Rho)z -0.2327337E-13 Laplacian 0.1872831E+00 (-1/4)Del**2(Rho)) -0.4682077E-01 Diamond 0.8341350E-01 Metallicity 0.2071721E+01 Ellipticity 0.1667820E-01 Gb(Abramov) 0.4738044E-01 Vb(Abramov) -0.4794011E-01 Hb(Abramov) -0.5596717E-03 Ex_ueg -0.1171723E-01 Ec_ueg -0.2124200E-02 Delta_ex -0.1508305E-01 Delta_ec 0.5753119E-02 Delta_et -0.5893491E-01 Pxc 0.5516067E+01 Qxc -0.2621717E+01 3,-1 59 3 +1 -2.909132 -0.173381 -0.138891 Rho 0.5395561E-02 |GRAD(Rho)| 0.4212291E-15 GRAD(Rho)x -0.6653238E-16 GRAD(Rho)y 0.4157092E-15 GRAD(Rho)z -0.1390063E-16 Laplacian 0.2208823E-01 (-1/4)Del**2(Rho)) -0.5522056E-02 Diamond 0.5642953E-03 Metallicity 0.5178214E+00 Ellipticity -0.3316858E+01 Gb(Abramov) 0.4157944E-02 Vb(Abramov) -0.2793832E-02 Hb(Abramov) 0.1364112E-02 Ex_ueg -0.6989303E-03 Ec_ueg -0.1639749E-03 Delta_ex -0.1109238E-02 Delta_ec 0.6860573E-03 Delta_et -0.3815773E-02 Pxc 0.4262422E+01 Qxc -0.1616829E+01 3,+1 60 3 -1 -2.912077 -0.040101 -0.011178 Rho 0.5414185E-02 |GRAD(Rho)| 0.3515530E-17 GRAD(Rho)x -0.8448103E-18 GRAD(Rho)y -0.7819823E-18 GRAD(Rho)z -0.3321709E-17 Laplacian 0.2167734E-01 (-1/4)Del**2(Rho)) -0.5419334E-02 Diamond 0.6479857E-03 Metallicity 0.5306755E+00 Ellipticity 0.3130873E+01 Gb(Abramov) 0.4092207E-02 Vb(Abramov) -0.2765081E-02 Hb(Abramov) 0.1327127E-02 Ex_ueg -0.7021488E-03 Ec_ueg -0.1647802E-03 Delta_ex -0.1165845E-02 Delta_ec 0.8098889E-03 Delta_et -0.4453708E-02 Pxc 0.4261124E+01 Qxc -0.1439512E+01 3,-1 61 3 +1 -2.907942 0.177165 0.196543 Rho 0.5346143E-02 |GRAD(Rho)| 0.6132090E-17 GRAD(Rho)x -0.1176660E-17 GRAD(Rho)y -0.3924466E-17 GRAD(Rho)z 0.4562518E-17 Laplacian 0.2208164E-01 (-1/4)Del**2(Rho)) -0.5520410E-02 Diamond 0.5266238E-03 Metallicity 0.5100931E+00 Ellipticity -0.2362352E+01 Gb(Abramov) 0.4149594E-02 Vb(Abramov) -0.2778778E-02 Hb(Abramov) 0.1370816E-02 Ex_ueg -0.6904080E-03 Ec_ueg -0.1618390E-03 Delta_ex -0.1080951E-02 Delta_ec 0.6395071E-03 Delta_et -0.3565925E-02 Pxc 0.4266017E+01 Qxc -0.1690288E+01 3,+1 62 3 +1 -1.759768 -1.739220 1.743567 Rho 0.1189569E-01 |GRAD(Rho)| 0.2261469E-14 GRAD(Rho)x 0.1533150E-14 GRAD(Rho)y -0.7528309E-15 GRAD(Rho)z -0.1482206E-14 Laplacian 0.5949425E-01 (-1/4)Del**2(Rho)) -0.1487356E-01 Diamond 0.2357871E-02 Metallicity 0.7179945E+00 Ellipticity -0.1250079E+01 Gb(Abramov) 0.1169556E-01 Vb(Abramov) -0.8517566E-02 Hb(Abramov) 0.3177998E-02 Ex_ueg -0.2005571E-02 Ec_ueg -0.4547560E-03 Delta_ex -0.2918352E-02 Delta_ec 0.7734337E-03 Delta_et -0.5786163E-02 Pxc 0.4410214E+01 Qxc -0.3773241E+01 3,+1 63 3 -1 -3.299584 -0.062411 3.108130 Rho 0.2400605E+00 |GRAD(Rho)| 0.6692154E-14 GRAD(Rho)x 0.4704516E-14 GRAD(Rho)y 0.1341294E-14 GRAD(Rho)z -0.4566551E-14 Laplacian 0.8609665E+00 (-1/4)Del**2(Rho)) -0.2152416E+00 Diamond 0.3058087E+01 Metallicity 0.7421550E+01 Ellipticity 0.6169643E-03 Gb(Abramov) 0.4097322E+00 Vb(Abramov) -0.6042227E+00 Hb(Abramov) -0.1944905E+00 Ex_ueg -0.1101909E+00 Ec_ueg -0.1444329E-01 Delta_ex -0.1040939E+00 Delta_ec 0.1913369E-01 Delta_et -0.2655480E+00 Pxc 0.7629212E+01 Qxc -0.5440345E+01 3,-1 64 3 -1 -3.280782 0.059305 -3.108684 Rho 0.2510965E+00 |GRAD(Rho)| 0.4320093E-15 GRAD(Rho)x 0.4188273E-15 GRAD(Rho)y 0.6797948E-16 GRAD(Rho)z 0.8120674E-16 Laplacian 0.9177395E+00 (-1/4)Del**2(Rho)) -0.2294349E+00 Diamond 0.3411252E+01 Metallicity 0.7504033E+01 Ellipticity 0.2902537E-02 Gb(Abramov) 0.4399044E+00 Vb(Abramov) -0.6503739E+00 Hb(Abramov) -0.2104695E+00 Ex_ueg -0.1169964E+00 Ec_ueg -0.1520955E-01 Delta_ex -0.1121213E+00 Delta_ec 0.1985729E-01 Delta_et -0.2747333E+00 Pxc 0.7692299E+01 Qxc -0.5646358E+01 3,-1 65 3 +1 0.544961 0.528823 1.678059 Rho 0.8586301E-02 |GRAD(Rho)| 0.8045921E-13 GRAD(Rho)x 0.2438891E-13 GRAD(Rho)y -0.6823398E-13 GRAD(Rho)z -0.3497128E-13 Laplacian 0.3312036E-01 (-1/4)Del**2(Rho)) -0.8280091E-02 Diamond 0.9032980E-03 Metallicity 0.7490801E+00 Ellipticity -0.1482671E+01 Gb(Abramov) 0.6553803E-02 Vb(Abramov) -0.4827514E-02 Hb(Abramov) 0.1726289E-02 Ex_ueg -0.1298554E-02 Ec_ueg -0.3043672E-03 Delta_ex -0.1520981E-02 Delta_ec 0.4812767E-03 Delta_et -0.3275787E-02 Pxc 0.4266404E+01 Qxc -0.3160305E+01 3,+1 66 3 +1 -0.527710 0.546463 -1.676833 Rho 0.8680264E-02 |GRAD(Rho)| 0.6347334E-12 GRAD(Rho)x -0.1569584E-12 GRAD(Rho)y 0.5405078E-12 GRAD(Rho)z 0.2934312E-12 Laplacian 0.3379161E-01 (-1/4)Del**2(Rho)) -0.8447903E-02 Diamond 0.9196647E-03 Metallicity 0.7476399E+00 Ellipticity -0.1456384E+01 Gb(Abramov) 0.6684600E-02 Vb(Abramov) -0.4921297E-02 Hb(Abramov) 0.1763303E-02 Ex_ueg -0.1317535E-02 Ec_ueg -0.3085728E-03 Delta_ex -0.1549075E-02 Delta_ec 0.4785502E-03 Delta_et -0.3276221E-02 Pxc 0.4269772E+01 Qxc -0.3237018E+01 3,+1 67 3 -1 -3.046497 0.872333 1.946056 Rho 0.1537165E+00 |GRAD(Rho)| 0.3739664E-15 GRAD(Rho)x -0.5669700E-16 GRAD(Rho)y -0.3687236E-15 GRAD(Rho)z -0.2606151E-16 Laplacian 0.5960644E+00 (-1/4)Del**2(Rho)) -0.1490161E+00 Diamond 0.1234083E+01 Metallicity 0.5099418E+01 Ellipticity 0.7173518E-01 Gb(Abramov) 0.2259933E+00 Vb(Abramov) -0.3029705E+00 Hb(Abramov) -0.7697718E-01 Ex_ueg -0.6081521E-01 Ec_ueg -0.8681843E-02 Delta_ex -0.6430338E-01 Delta_ec 0.1486153E-01 Delta_et -0.1980945E+00 Pxc 0.7004873E+01 Qxc -0.4326833E+01 3,-1 68 3 -1 -2.942875 2.057282 0.835899 Rho 0.1085041E+00 |GRAD(Rho)| 0.2829368E-15 GRAD(Rho)x -0.8829471E-17 GRAD(Rho)y -0.2715215E-15 GRAD(Rho)z 0.7906544E-16 Laplacian 0.4190030E+00 (-1/4)Del**2(Rho)) -0.1047508E+00 Diamond 0.5740902E+00 Metallicity 0.4059502E+01 Ellipticity 0.2177931E-01 Gb(Abramov) 0.1407065E+00 Vb(Abramov) -0.1766622E+00 Hb(Abramov) -0.3595572E-01 Ex_ueg -0.3822197E-01 Ec_ueg -0.5843016E-02 Delta_ex -0.4160675E-01 Delta_ec 0.1144787E-01 Delta_et -0.1444331E+00 Pxc 0.6541480E+01 Qxc -0.3634453E+01 3,-1 69 3 -1 -3.123263 -3.291556 0.054467 Rho 0.2415023E+00 |GRAD(Rho)| 0.1828392E-13 GRAD(Rho)x -0.1348341E-13 GRAD(Rho)y -0.1410764E-14 GRAD(Rho)z 0.1226822E-13 Laplacian 0.8609036E+00 (-1/4)Del**2(Rho)) -0.2152259E+00 Diamond 0.3083282E+01 Metallicity 0.7496540E+01 Ellipticity 0.1557764E-02 Gb(Abramov) 0.4123922E+00 Vb(Abramov) -0.6095585E+00 Hb(Abramov) -0.1971663E+00 Ex_ueg -0.1110743E+00 Ec_ueg -0.1454303E-01 Delta_ex -0.1042665E+00 Delta_ec 0.1912950E-01 Delta_et -0.2656844E+00 Pxc 0.7637631E+01 Qxc -0.5450561E+01 3,-1 70 3 -1 -2.720925 1.861843 -0.537328 Rho 0.1122920E+00 |GRAD(Rho)| 0.2535149E-15 GRAD(Rho)x -0.4350361E-16 GRAD(Rho)y -0.1655644E-15 GRAD(Rho)z -0.1869910E-15 Laplacian 0.4665029E+00 (-1/4)Del**2(Rho)) -0.1166257E+00 Diamond 0.6629818E+00 Metallicity 0.3860764E+01 Ellipticity 0.8932379E-02 Gb(Abramov) 0.1527946E+00 Vb(Abramov) -0.1889634E+00 Hb(Abramov) -0.3616883E-01 Ex_ueg -0.4001136E-01 Ec_ueg -0.6075490E-02 Delta_ex -0.4665398E-01 Delta_ec 0.1256396E-01 Delta_et -0.1594034E+00 Pxc 0.6585701E+01 Qxc -0.3713319E+01 3,-1 71 3 +1 -2.173134 1.403880 1.077483 Rho 0.2708247E-01 |GRAD(Rho)| 0.2964705E-14 GRAD(Rho)x -0.1228462E-14 GRAD(Rho)y 0.2290521E-14 GRAD(Rho)z -0.1426139E-14 Laplacian 0.1086233E+00 (-1/4)Del**2(Rho)) -0.2715583E-01 Diamond 0.1599781E-01 Metallicity 0.1549425E+01 Ellipticity -0.3824131E+01 Gb(Abramov) 0.2511654E-01 Vb(Abramov) -0.2307725E-01 Hb(Abramov) 0.2039290E-02 Ex_ueg -0.6006702E-02 Ec_ueg -0.1194124E-02 Delta_ex -0.6915394E-02 Delta_ec 0.1867008E-02 Delta_et -0.1679986E-01 Pxc 0.5030215E+01 Qxc -0.3703999E+01 3,+1 72 3 +1 2.172313 -1.377600 1.098471 Rho 0.2660651E-01 |GRAD(Rho)| 0.4969176E-16 GRAD(Rho)x -0.4706455E-16 GRAD(Rho)y 0.3915022E-17 GRAD(Rho)z -0.1545547E-16 Laplacian 0.1068173E+00 (-1/4)Del**2(Rho)) -0.2670432E-01 Diamond 0.1607261E-01 Metallicity 0.1529741E+01 Ellipticity -0.5149969E+01 Gb(Abramov) 0.2461133E-01 Vb(Abramov) -0.2251834E-01 Hb(Abramov) 0.2092989E-02 Ex_ueg -0.5866362E-02 Ec_ueg -0.1169935E-02 Delta_ex -0.6840190E-02 Delta_ec 0.1964496E-02 Delta_et -0.1757747E-01 Pxc 0.5014265E+01 Qxc -0.3481906E+01 3,+1 73 3 -1 -2.963521 -2.054638 -0.835156 Rho 0.1216137E+00 |GRAD(Rho)| 0.2798547E-13 GRAD(Rho)x 0.9475859E-14 GRAD(Rho)y -0.1862682E-13 GRAD(Rho)z 0.1861279E-13 Laplacian 0.4732038E+00 (-1/4)Del**2(Rho)) -0.1183010E+00 Diamond 0.7404060E+00 Metallicity 0.4347127E+01 Ellipticity 0.3355412E-01 Gb(Abramov) 0.1645788E+00 Vb(Abramov) -0.2108567E+00 Hb(Abramov) -0.4627789E-01 Ex_ueg -0.4450017E-01 Ec_ueg -0.6651999E-02 Delta_ex -0.4823406E-01 Delta_ec 0.1251474E-01 Delta_et -0.1610333E+00 Pxc 0.6689744E+01 Qxc -0.3854181E+01 3,-1 74 3 -1 -2.758638 -1.875437 0.542939 Rho 0.1134012E+00 |GRAD(Rho)| 0.2484253E-15 GRAD(Rho)x -0.1657813E-16 GRAD(Rho)y -0.1083999E-15 GRAD(Rho)z -0.2229120E-15 Laplacian 0.4701304E+00 (-1/4)Del**2(Rho)) -0.1175326E+00 Diamond 0.6764558E+00 Metallicity 0.3894256E+01 Ellipticity 0.8269506E-02 Gb(Abramov) 0.1546387E+00 Vb(Abramov) -0.1917449E+00 Hb(Abramov) -0.3710614E-01 Ex_ueg -0.4053923E-01 Ec_ueg -0.6143769E-02 Delta_ex -0.4713176E-01 Delta_ec 0.1264253E-01 Delta_et -0.1607005E+00 Pxc 0.6598430E+01 Qxc -0.3728034E+01 3,-1 75 3 +1 -0.539968 -0.516399 1.668032 Rho 0.8965175E-02 |GRAD(Rho)| 0.1714653E-13 GRAD(Rho)x 0.1470968E-13 GRAD(Rho)y 0.5703299E-14 GRAD(Rho)z -0.6715740E-14 Laplacian 0.3489310E-01 (-1/4)Del**2(Rho)) -0.8723274E-02 Diamond 0.9858898E-03 Metallicity 0.7640790E+00 Ellipticity -0.1463282E+01 Gb(Abramov) 0.6926395E-02 Vb(Abramov) -0.5129515E-02 Hb(Abramov) 0.1796880E-02 Ex_ueg -0.1375509E-02 Ec_ueg -0.3213485E-03 Delta_ex -0.1609947E-02 Delta_ec 0.4892048E-03 Delta_et -0.3381029E-02 Pxc 0.4280427E+01 Qxc -0.3290948E+01 3,+1 76 3 +1 -1.684456 -0.548564 0.525139 Rho 0.8297777E-02 |GRAD(Rho)| 0.3494630E-14 GRAD(Rho)x 0.1776063E-14 GRAD(Rho)y 0.2935140E-14 GRAD(Rho)z 0.6655731E-15 Laplacian 0.3209858E-01 (-1/4)Del**2(Rho)) -0.8024644E-02 Diamond 0.8363445E-03 Metallicity 0.7301246E+00 Ellipticity -0.1465361E+01 Gb(Abramov) 0.6326261E-02 Vb(Abramov) -0.4627878E-02 Hb(Abramov) 0.1698383E-02 Ex_ueg -0.1240702E-02 Ec_ueg -0.2914782E-03 Delta_ex -0.1461797E-02 Delta_ec 0.4670461E-03 Delta_et -0.3150357E-02 Pxc 0.4256585E+01 Qxc -0.3129877E+01 3,+1 77 3 +3 0.006815 0.014221 2.328012 Rho 0.4686247E-02 |GRAD(Rho)| 0.1280886E-15 GRAD(Rho)x 0.8695394E-16 GRAD(Rho)y -0.7253587E-16 GRAD(Rho)z -0.5986852E-16 Laplacian 0.1908171E-01 (-1/4)Del**2(Rho)) -0.4770427E-02 Diamond 0.1743169E-03 Metallicity 0.4739195E+00 Ellipticity -0.3185434E+00 Gb(Abramov) 0.3557084E-02 Vb(Abramov) -0.2343742E-02 Hb(Abramov) 0.1213343E-02 Ex_ueg -0.5791868E-03 Ec_ueg -0.1334358E-03 Delta_ex -0.7005534E-03 Delta_ec 0.1787253E-03 Delta_et -0.1123711E-02 Pxc 0.4340565E+01 Qxc -0.3919721E+01 3,+3 78 3 +1 -1.312403 -1.144795 -2.172494 Rho 0.2956092E-01 |GRAD(Rho)| 0.1457906E-14 GRAD(Rho)x -0.1022594E-14 GRAD(Rho)y 0.3793332E-15 GRAD(Rho)z -0.9674186E-15 Laplacian 0.1205994E+00 (-1/4)Del**2(Rho)) -0.3014985E-01 Diamond 0.2098306E-01 Metallicity 0.1614846E+01 Ellipticity -0.6471303E+01 Gb(Abramov) 0.2821447E-01 Vb(Abramov) -0.2627908E-01 Hb(Abramov) 0.1935388E-02 Ex_ueg -0.6750599E-02 Ec_ueg -0.1320981E-02 Delta_ex -0.7942645E-02 Delta_ec 0.2219297E-02 Delta_et -0.2038021E-01 Pxc 0.5110292E+01 Qxc -0.3578901E+01 3,+1 79 3 -1 -2.040955 -0.840154 -2.949275 Rho 0.1290384E+00 |GRAD(Rho)| 0.2048515E-09 GRAD(Rho)x 0.1137416E-09 GRAD(Rho)y -0.1420656E-09 GRAD(Rho)z -0.9404434E-10 Laplacian 0.5069777E+00 (-1/4)Del**2(Rho)) -0.1267444E+00 Diamond 0.8616148E+00 Metallicity 0.4478740E+01 Ellipticity 0.2236883E-01 Gb(Abramov) 0.1791055E+00 Vb(Abramov) -0.2314666E+00 Hb(Abramov) -0.5236107E-01 Ex_ueg -0.4815894E-01 Ec_ueg -0.7115499E-02 Delta_ex -0.5253736E-01 Delta_ec 0.1343374E-01 Delta_et -0.1749640E+00 Pxc 0.6768175E+01 Qxc -0.3910850E+01 3,-1 80 3 -1 -1.759264 -0.531067 -1.691489 Rho 0.4910924E-01 |GRAD(Rho)| 0.2758225E-14 GRAD(Rho)x -0.1666634E-14 GRAD(Rho)y -0.2032730E-14 GRAD(Rho)z 0.8355510E-15 Laplacian 0.1997072E+00 (-1/4)Del**2(Rho)) -0.4992679E-01 Diamond 0.9787308E-01 Metallicity 0.2272435E+01 Ellipticity 0.1226421E-01 Gb(Abramov) 0.5219376E-01 Vb(Abramov) -0.5446073E-01 Hb(Abramov) -0.2266970E-02 Ex_ueg -0.1328218E-01 Ec_ueg -0.2365695E-02 Delta_ex -0.1632359E-01 Delta_ec 0.5878770E-02 Delta_et -0.6168025E-01 Pxc 0.5614492E+01 Qxc -0.2776702E+01 3,-1 81 3 +3 -2.320411 -0.018618 0.021115 Rho 0.4656824E-02 |GRAD(Rho)| 0.4548255E-17 GRAD(Rho)x -0.9748828E-18 GRAD(Rho)y 0.3938271E-17 GRAD(Rho)z -0.2055784E-17 Laplacian 0.1896359E-01 (-1/4)Del**2(Rho)) -0.4740897E-02 Diamond 0.1699513E-03 Metallicity 0.4718917E+00 Ellipticity -0.3160481E+00 Gb(Abramov) 0.3533463E-02 Vb(Abramov) -0.2326029E-02 Hb(Abramov) 0.1207434E-02 Ex_ueg -0.5743431E-03 Ec_ueg -0.1321745E-03 Delta_ex -0.6932482E-03 Delta_ec 0.1743169E-03 Delta_et -0.1098856E-02 Pxc 0.4345339E+01 Qxc -0.3976942E+01 3,+3 82 3 -1 -2.838839 -0.582681 1.762020 Rho 0.1507176E+00 |GRAD(Rho)| 0.3996787E-14 GRAD(Rho)x -0.5293177E-15 GRAD(Rho)y 0.3071138E-14 GRAD(Rho)z 0.2502447E-14 Laplacian 0.6296659E+00 (-1/4)Del**2(Rho)) -0.1574165E+00 Diamond 0.1259619E+01 Metallicity 0.4671354E+01 Ellipticity 0.2932438E-01 Gb(Abramov) 0.2275023E+00 Vb(Abramov) -0.2975882E+00 Hb(Abramov) -0.7008586E-01 Ex_ueg -0.5923843E-01 Ec_ueg -0.8489465E-02 Delta_ex -0.6746465E-01 Delta_ec 0.1553769E-01 Delta_et -0.2060001E+00 Pxc 0.6977876E+01 Qxc -0.4342000E+01 3,-1 83 3 +1 -0.181983 0.188624 2.905757 Rho 0.5347403E-02 |GRAD(Rho)| 0.3767280E-14 GRAD(Rho)x -0.2244613E-14 GRAD(Rho)y 0.3011767E-14 GRAD(Rho)z 0.2887489E-15 Laplacian 0.2206194E-01 (-1/4)Del**2(Rho)) -0.5515484E-02 Diamond 0.5308260E-03 Metallicity 0.5107491E+00 Ellipticity -0.2467207E+01 Gb(Abramov) 0.4146494E-02 Vb(Abramov) -0.2777504E-02 Hb(Abramov) 0.1368990E-02 Ex_ueg -0.6906249E-03 Ec_ueg -0.1618934E-03 Delta_ex -0.1083863E-02 Delta_ec 0.6457658E-03 Delta_et -0.3598097E-02 Pxc 0.4265922E+01 Qxc -0.1678415E+01 3,+1 84 3 -1 -1.876034 -0.536366 2.732781 Rho 0.1113904E+00 |GRAD(Rho)| 0.1927688E-13 GRAD(Rho)x -0.1791712E-15 GRAD(Rho)y -0.1861626E-13 GRAD(Rho)z -0.5000085E-14 Laplacian 0.4635390E+00 (-1/4)Del**2(Rho)) -0.1158847E+00 Diamond 0.6525958E+00 Metallicity 0.3833597E+01 Ellipticity 0.8642075E-02 Gb(Abramov) 0.1512991E+00 Vb(Abramov) -0.1867134E+00 Hb(Abramov) -0.3541431E-01 Ex_ueg -0.3958360E-01 Ec_ueg -0.6020062E-02 Delta_ex -0.4627194E-01 Delta_ec 0.1251221E-01 Delta_et -0.1585210E+00 Pxc 0.6575282E+01 Qxc -0.3698142E+01 3,-1 85 3 +3 -1.144799 -1.100748 1.093171 Rho 0.5083016E-02 |GRAD(Rho)| 0.3851811E-17 GRAD(Rho)x 0.3549113E-17 GRAD(Rho)y -0.6269003E-18 GRAD(Rho)z -0.1359134E-17 Laplacian 0.1976319E-01 (-1/4)Del**2(Rho)) -0.4940798E-02 Diamond 0.1416472E-03 Metallicity 0.5239524E+00 Ellipticity -0.4849994E-01 Gb(Abramov) 0.3725323E-02 Vb(Abramov) -0.2509847E-02 Hb(Abramov) 0.1215476E-02 Ex_ueg -0.6454764E-03 Ec_ueg -0.1504871E-03 Delta_ex -0.6863757E-03 Delta_ec 0.8784537E-04 Delta_et -0.6951310E-03 Pxc 0.4289248E+01 Qxc -0.7813453E+01 3,+3 86 3 +1 -0.172395 2.910317 0.179833 Rho 0.5293081E-02 |GRAD(Rho)| 0.1189475E-13 GRAD(Rho)x -0.7783471E-15 GRAD(Rho)y 0.1441093E-14 GRAD(Rho)z -0.1178145E-13 Laplacian 0.2183702E-01 (-1/4)Del**2(Rho)) -0.5459255E-02 Diamond 0.5240732E-03 Metallicity 0.5073029E+00 Ellipticity -0.2526908E+01 Gb(Abramov) 0.4101086E-02 Vb(Abramov) -0.2742917E-02 Hb(Abramov) 0.1358169E-02 Ex_ueg -0.6812865E-03 Ec_ueg -0.1595470E-03 Delta_ex -0.1075644E-02 Delta_ec 0.6481377E-03 Delta_et -0.3596488E-02 Pxc 0.4270131E+01 Qxc -0.1659592E+01 3,+1 87 3 -1 -1.856405 0.547851 -2.743466 Rho 0.1266354E+00 |GRAD(Rho)| 0.3126646E-15 GRAD(Rho)x -0.1851682E-15 GRAD(Rho)y -0.2515349E-15 GRAD(Rho)z -0.1421660E-16 Laplacian 0.5292107E+00 (-1/4)Del**2(Rho)) -0.1323027E+00 Diamond 0.8808668E+00 Metallicity 0.4158243E+01 Ellipticity 0.1543372E-01 Gb(Abramov) 0.1798929E+00 Vb(Abramov) -0.2274831E+00 Hb(Abramov) -0.4759023E-01 Ex_ueg -0.4696691E-01 Ec_ueg -0.6965082E-02 Delta_ex -0.5461372E-01 Delta_ec 0.1412017E-01 Delta_et -0.1833920E+00 Pxc 0.6743196E+01 Qxc -0.3867781E+01 3,-1 88 3 +3 -1.094999 1.129976 -1.122891 Rho 0.5168882E-02 |GRAD(Rho)| 0.1221234E-11 GRAD(Rho)x -0.6637496E-14 GRAD(Rho)y 0.1220913E-11 GRAD(Rho)z -0.2721331E-13 Laplacian 0.2006978E-01 (-1/4)Del**2(Rho)) -0.5017445E-02 Diamond 0.1456579E-03 Metallicity 0.5305564E+00 Ellipticity -0.5857536E-01 Gb(Abramov) 0.3788636E-02 Vb(Abramov) -0.2559828E-02 Hb(Abramov) 0.1228809E-02 Ex_ueg -0.6600556E-03 Ec_ueg -0.1541877E-03 Delta_ex -0.6989194E-03 Delta_ec 0.8678606E-04 Delta_et -0.6956302E-03 Pxc 0.4280858E+01 Qxc -0.8053360E+01 3,+3 89 3 +1 0.530955 -1.671541 -0.535712 Rho 0.8620498E-02 |GRAD(Rho)| 0.2343209E-14 GRAD(Rho)x -0.1566905E-14 GRAD(Rho)y 0.8730422E-17 GRAD(Rho)z -0.1742228E-14 Laplacian 0.3371278E-01 (-1/4)Del**2(Rho)) -0.8428196E-02 Diamond 0.9092203E-03 Metallicity 0.7408083E+00 Ellipticity -0.1448861E+01 Gb(Abramov) 0.6659410E-02 Vb(Abramov) -0.4890624E-02 Hb(Abramov) 0.1768786E-02 Ex_ueg -0.1305454E-02 Ec_ueg -0.3058974E-03 Delta_ex -0.1542897E-02 Delta_ec 0.4776742E-03 Delta_et -0.3264218E-02 Pxc 0.4267621E+01 Qxc -0.3230020E+01 3,+1 90 3 +1 -1.738041 1.751965 -1.743701 Rho 0.1187142E-01 |GRAD(Rho)| 0.2801543E-12 GRAD(Rho)x -0.2365019E-12 GRAD(Rho)y -0.8340051E-13 GRAD(Rho)z 0.1248904E-12 Laplacian 0.5931110E-01 (-1/4)Del**2(Rho)) -0.1482778E-01 Diamond 0.2342865E-02 Metallicity 0.7177642E+00 Ellipticity -0.1249340E+01 Gb(Abramov) 0.1165899E-01 Vb(Abramov) -0.8490207E-02 Hb(Abramov) 0.3168784E-02 Ex_ueg -0.2000117E-02 Ec_ueg -0.4536367E-03 Delta_ex -0.2907458E-02 Delta_ec 0.7704380E-03 Delta_et -0.5761344E-02 Pxc 0.4409073E+01 Qxc -0.3773773E+01 3,+1 91 3 +1 -1.657425 0.537839 -0.517741 Rho 0.9072601E-02 |GRAD(Rho)| 0.6051263E-15 GRAD(Rho)x -0.3976257E-15 GRAD(Rho)y 0.3727915E-15 GRAD(Rho)z -0.2628654E-15 Laplacian 0.3531735E-01 (-1/4)Del**2(Rho)) -0.8829336E-02 Diamond 0.1015964E-02 Metallicity 0.7700368E+00 Ellipticity -0.1469942E+01 Gb(Abramov) 0.7019376E-02 Vb(Abramov) -0.5209417E-02 Hb(Abramov) 0.1809960E-02 Ex_ueg -0.1397529E-02 Ec_ueg -0.3261749E-03 Delta_ex -0.1635199E-02 Delta_ec 0.4964591E-03 Delta_et -0.3440600E-02 Pxc 0.4284600E+01 Qxc -0.3293723E+01 3,+1 92 3 +1 -1.410699 1.072769 2.182201 Rho 0.2645859E-01 |GRAD(Rho)| 0.2906931E-16 GRAD(Rho)x -0.4037113E-17 GRAD(Rho)y -0.4168075E-17 GRAD(Rho)z -0.2848427E-16 Laplacian 0.1054564E+00 (-1/4)Del**2(Rho)) -0.2636409E-01 Diamond 0.1493961E-01 Metallicity 0.1535153E+01 Ellipticity -0.3645967E+01 Gb(Abramov) 0.2432155E-01 Vb(Abramov) -0.2227900E-01 Hb(Abramov) 0.2042546E-02 Ex_ueg -0.5822918E-02 Ec_ueg -0.1162429E-02 Delta_ex -0.6661812E-02 Delta_ec 0.1794369E-02 Delta_et -0.1605850E-01 Pxc 0.5009269E+01 Qxc -0.3712620E+01 3,+1 93 3 -1 -2.069205 0.833953 2.959082 Rho 0.1084776E+00 |GRAD(Rho)| 0.5816730E-13 GRAD(Rho)x -0.3212830E-13 GRAD(Rho)y 0.4781544E-13 GRAD(Rho)z 0.8055476E-14 Laplacian 0.4200414E+00 (-1/4)Del**2(Rho)) -0.1050103E+00 Diamond 0.5752782E+00 Metallicity 0.4047823E+01 Ellipticity 0.2138361E-01 Gb(Abramov) 0.1408508E+00 Vb(Abramov) -0.1766912E+00 Hb(Abramov) -0.3584044E-01 Ex_ueg -0.3820956E-01 Ec_ueg -0.5841399E-02 Delta_ex -0.4170645E-01 Delta_ec 0.1147507E-01 Delta_et -0.1447671E+00 Pxc 0.6541167E+01 Qxc -0.3634528E+01 3,-1 94 3 -1 -1.789108 0.531621 1.692212 Rho 0.4356776E-01 |GRAD(Rho)| 0.1413460E-12 GRAD(Rho)x -0.9992027E-13 GRAD(Rho)y -0.4803743E-13 GRAD(Rho)z 0.8767579E-13 Laplacian 0.1826868E+00 (-1/4)Del**2(Rho)) -0.4567171E-01 Diamond 0.7861561E-01 Metallicity 0.2034766E+01 Ellipticity 0.2239068E-01 Gb(Abramov) 0.4593635E-01 Vb(Abramov) -0.4620099E-01 Hb(Abramov) -0.2646403E-03 Ex_ueg -0.1132240E-01 Ec_ueg -0.2062536E-02 Delta_ex -0.1462162E-01 Delta_ec 0.5616863E-02 Delta_et -0.5714464E-01 Pxc 0.5489555E+01 Qxc -0.2603165E+01 3,-1 95 3 +1 -1.307124 -2.173601 -1.146316 Rho 0.2775110E-01 |GRAD(Rho)| 0.2119879E-13 GRAD(Rho)x -0.1432338E-13 GRAD(Rho)y -0.1347882E-13 GRAD(Rho)z 0.7908906E-14 Laplacian 0.1127475E+00 (-1/4)Del**2(Rho)) -0.2818687E-01 Diamond 0.1814010E-01 Metallicity 0.1554676E+01 Ellipticity -0.5972480E+01 Gb(Abramov) 0.2609482E-01 Vb(Abramov) -0.2400278E-01 Hb(Abramov) 0.2092048E-02 Ex_ueg -0.6205241E-02 Ec_ueg -0.1228201E-02 Delta_ex -0.7316489E-02 Delta_ec 0.2101146E-02 Delta_et -0.1899379E-01 Pxc 0.5052302E+01 Qxc -0.3482143E+01 3,+1 96 3 +1 -1.069272 2.167346 1.415946 Rho 0.2713005E-01 |GRAD(Rho)| 0.1522770E-14 GRAD(Rho)x 0.7244257E-15 GRAD(Rho)y 0.5970839E-15 GRAD(Rho)z 0.1198969E-14 Laplacian 0.1087210E+00 (-1/4)Del**2(Rho)) -0.2718025E-01 Diamond 0.1597515E-01 Metallicity 0.1552568E+01 Ellipticity -0.3751935E+01 Gb(Abramov) 0.2515336E-01 Vb(Abramov) -0.2312648E-01 Hb(Abramov) 0.2026886E-02 Ex_ueg -0.6020775E-02 Ec_ueg -0.1196545E-02 Delta_ex -0.6917487E-02 Delta_ec 0.1855507E-02 Delta_et -0.1670571E-01 Pxc 0.5031799E+01 Qxc -0.3728084E+01 3,+1 97 3 -1 -1.932752 3.037912 0.872760 Rho 0.1496390E+00 |GRAD(Rho)| 0.1073306E-11 GRAD(Rho)x 0.5422718E-12 GRAD(Rho)y 0.4102106E-12 GRAD(Rho)z 0.8304545E-12 Laplacian 0.5801231E+00 (-1/4)Del**2(Rho)) -0.1450308E+00 Diamond 0.1164173E+01 Metallicity 0.5009958E+01 Ellipticity 0.6844307E-01 Gb(Abramov) 0.2177869E+00 Vb(Abramov) -0.2905430E+00 Hb(Abramov) -0.7275610E-01 Ex_ueg -0.5867385E-01 Ec_ueg -0.8420406E-02 Delta_ex -0.6218244E-01 Delta_ec 0.1458427E-01 Delta_et -0.1937501E+00 Pxc 0.6968055E+01 Qxc -0.4263665E+01 3,-1 98 3 +1 -0.157202 -2.900314 -0.163966 Rho 0.5282134E-02 |GRAD(Rho)| 0.8355014E-16 GRAD(Rho)x -0.6228209E-16 GRAD(Rho)y -0.4724733E-17 GRAD(Rho)z -0.5549094E-16 Laplacian 0.2188026E-01 (-1/4)Del**2(Rho)) -0.5470066E-02 Diamond 0.5415913E-03 Metallicity 0.5045563E+00 Ellipticity -0.2932337E+01 Gb(Abramov) 0.4106704E-02 Vb(Abramov) -0.2743341E-02 Hb(Abramov) 0.1363363E-02 Ex_ueg -0.6794085E-03 Ec_ueg -0.1590743E-03 Delta_ex -0.1092815E-02 Delta_ec 0.6770654E-03 Delta_et -0.3742907E-02 Pxc 0.4271013E+01 Qxc -0.1614046E+01 3,+1 99 3 +1 -0.544985 -1.662969 0.514567 Rho 0.8785632E-02 |GRAD(Rho)| 0.1445713E-16 GRAD(Rho)x 0.4300995E-17 GRAD(Rho)y -0.7607282E-17 GRAD(Rho)z 0.1151692E-16 Laplacian 0.3436828E-01 (-1/4)Del**2(Rho)) -0.8592069E-02 Diamond 0.9513761E-03 Metallicity 0.7500273E+00 Ellipticity -0.1456640E+01 Gb(Abramov) 0.6802094E-02 Vb(Abramov) -0.5012119E-02 Hb(Abramov) 0.1789975E-02 Ex_ueg -0.1338903E-02 Ec_ueg -0.3132934E-03 Delta_ex -0.1580554E-02 Delta_ec 0.4871130E-03 Delta_et -0.3344895E-02 Pxc 0.4273638E+01 Qxc -0.3244737E+01 3,+1 100 3 +3 -0.007572 -2.327282 -0.016938 Rho 0.4624046E-02 |GRAD(Rho)| 0.7118409E-17 GRAD(Rho)x -0.2066209E-17 GRAD(Rho)y -0.1177039E-17 GRAD(Rho)z 0.6709479E-17 Laplacian 0.1901475E-01 (-1/4)Del**2(Rho)) -0.4753687E-02 Diamond 0.1735012E-03 Metallicity 0.4651141E+00 Ellipticity -0.2898843E+00 Gb(Abramov) 0.3537626E-02 Vb(Abramov) -0.2321565E-02 Hb(Abramov) 0.1216061E-02 Ex_ueg -0.5689594E-03 Ec_ueg -0.1307700E-03 Delta_ex -0.6987250E-03 Delta_ec 0.1834680E-03 Delta_et -0.1142472E-02 Pxc 0.4350840E+01 Qxc -0.3808430E+01 3,+3 101 3 +3 0.014509 0.033879 -2.330816 Rho 0.4699776E-02 |GRAD(Rho)| 0.1133349E-15 GRAD(Rho)x 0.1131055E-15 GRAD(Rho)y -0.4942028E-17 GRAD(Rho)z 0.5245465E-17 Laplacian 0.1923058E-01 (-1/4)Del**2(Rho)) -0.4807644E-02 Diamond 0.1774109E-03 Metallicity 0.4725156E+00 Ellipticity -0.3350979E+00 Gb(Abramov) 0.3583711E-02 Vb(Abramov) -0.2359777E-02 Hb(Abramov) 0.1223934E-02 Ex_ueg -0.5814173E-03 Ec_ueg -0.1340159E-03 Delta_ex -0.7075931E-03 Delta_ec 0.1820014E-03 Delta_et -0.1142529E-02 Pxc 0.4338420E+01 Qxc -0.3887843E+01 3,+3 102 3 -1 -1.746399 2.823389 -0.580736 Rho 0.1525508E+00 |GRAD(Rho)| 0.2484068E-15 GRAD(Rho)x 0.5570089E-17 GRAD(Rho)y -0.1011730E-15 GRAD(Rho)z -0.2268015E-15 Laplacian 0.6365355E+00 (-1/4)Del**2(Rho)) -0.1591339E+00 Diamond 0.1290168E+01 Metallicity 0.4714996E+01 Ellipticity 0.2881543E-01 Gb(Abramov) 0.2311419E+00 Vb(Abramov) -0.3031498E+00 Hb(Abramov) -0.7200798E-01 Ex_ueg -0.6020109E-01 Ec_ueg -0.8607002E-02 Delta_ex -0.6838735E-01 Delta_ec 0.1562775E-01 Delta_et -0.2074443E+00 Pxc 0.6994433E+01 Qxc -0.4376021E+01 3,-1 103 3 +1 0.168506 2.906769 -0.176418 Rho 0.5313498E-02 |GRAD(Rho)| 0.3648940E-14 GRAD(Rho)x 0.4522358E-15 GRAD(Rho)y 0.3597132E-14 GRAD(Rho)z -0.4133871E-15 Laplacian 0.2187353E-01 (-1/4)Del**2(Rho)) -0.5468382E-02 Diamond 0.5383309E-03 Metallicity 0.5097163E+00 Ellipticity -0.2859652E+01 Gb(Abramov) 0.4110142E-02 Vb(Abramov) -0.2751902E-02 Hb(Abramov) 0.1358240E-02 Ex_ueg -0.6847926E-03 Ec_ueg -0.1604287E-03 Delta_ex -0.1087390E-02 Delta_ec 0.6655108E-03 Delta_et -0.3690193E-02 Pxc 0.4268516E+01 Qxc -0.1633918E+01 3,+1 104 3 -1 0.570373 1.757076 2.835696 Rho 0.1517547E+00 |GRAD(Rho)| 0.2850037E-12 GRAD(Rho)x -0.2009908E-12 GRAD(Rho)y 0.2016979E-12 GRAD(Rho)z -0.1215609E-13 Laplacian 0.6329557E+00 (-1/4)Del**2(Rho)) -0.1582389E+00 Diamond 0.1275310E+01 Metallicity 0.4700495E+01 Ellipticity 0.3015412E-01 Gb(Abramov) 0.2294595E+00 Vb(Abramov) -0.3006801E+00 Hb(Abramov) -0.7122058E-01 Ex_ueg -0.5978259E-01 Ec_ueg -0.8555937E-02 Delta_ex -0.6791894E-01 Delta_ec 0.1556803E-01 Delta_et -0.2065301E+00 Pxc 0.6987264E+01 Qxc -0.4362720E+01 3,-1 105 3 -1 0.025724 -0.009089 2.908331 Rho 0.5405188E-02 |GRAD(Rho)| 0.9287829E-17 GRAD(Rho)x -0.6486151E-17 GRAD(Rho)y -0.6629152E-17 GRAD(Rho)z 0.4979580E-18 Laplacian 0.2164656E-01 (-1/4)Del**2(Rho)) -0.5411640E-02 Diamond 0.6434008E-03 Metallicity 0.5299590E+00 Ellipticity 0.3248844E+01 Gb(Abramov) 0.4085751E-02 Vb(Abramov) -0.2759862E-02 Hb(Abramov) 0.1325889E-02 Ex_ueg -0.7005936E-03 Ec_ueg -0.1643912E-03 Delta_ex -0.1161976E-02 Delta_ec 0.8054206E-03 Delta_et -0.4428012E-02 Pxc 0.4261747E+01 Qxc -0.1442695E+01 3,-1 106 3 +1 0.162846 -0.139577 2.903708 Rho 0.5386027E-02 |GRAD(Rho)| 0.2700779E-14 GRAD(Rho)x 0.1600186E-14 GRAD(Rho)y -0.2172469E-14 GRAD(Rho)z 0.1182851E-15 Laplacian 0.2201389E-01 (-1/4)Del**2(Rho)) -0.5503473E-02 Diamond 0.5597770E-03 Metallicity 0.5180408E+00 Ellipticity -0.3318686E+01 Gb(Abramov) 0.4144152E-02 Vb(Abramov) -0.2784832E-02 Hb(Abramov) 0.1359320E-02 Ex_ueg -0.6972842E-03 Ec_ueg -0.1635628E-03 Delta_ex -0.1104042E-02 Delta_ec 0.6818222E-03 Delta_et -0.3790993E-02 Pxc 0.4263098E+01 Qxc -0.1619253E+01 3,+1 107 3 -1 -0.833672 -2.956142 -2.037459 Rho 0.1261060E+00 |GRAD(Rho)| 0.2466745E-14 GRAD(Rho)x 0.1890835E-14 GRAD(Rho)y 0.1057050E-14 GRAD(Rho)z -0.1179924E-14 Laplacian 0.4951833E+00 (-1/4)Del**2(Rho)) -0.1237958E+00 Diamond 0.8200482E+00 Metallicity 0.4413063E+01 Ellipticity 0.1985103E-01 Gb(Abramov) 0.1735837E+00 Vb(Abramov) -0.2233715E+00 Hb(Abramov) -0.4978786E-01 Ex_ueg -0.4670529E-01 Ec_ueg -0.6931994E-02 Delta_ex -0.5105035E-01 Delta_ec 0.1322442E-01 Delta_et -0.1716352E+00 Pxc 0.6737642E+01 Qxc -0.3860309E+01 3,-1 108 3 -1 -0.550516 -2.727743 1.846422 Rho 0.1270716E+00 |GRAD(Rho)| 0.5035017E-13 GRAD(Rho)x 0.3072068E-13 GRAD(Rho)y 0.1024540E-13 GRAD(Rho)z 0.3855400E-13 Laplacian 0.5307384E+00 (-1/4)Del**2(Rho)) -0.1326846E+00 Diamond 0.8860652E+00 Metallicity 0.4170103E+01 Ellipticity 0.1523354E-01 Gb(Abramov) 0.1806745E+00 Vb(Abramov) -0.2286643E+00 Hb(Abramov) -0.4798987E-01 Ex_ueg -0.4718273E-01 Ec_ueg -0.6992356E-02 Delta_ex -0.5480410E-01 Delta_ec 0.1412719E-01 Delta_et -0.1835494E+00 Pxc 0.6747758E+01 Qxc -0.3879335E+01 3,-1 109 3 -1 1.933760 3.047452 -0.879260 Rho 0.1486784E+00 |GRAD(Rho)| 0.1950567E-13 GRAD(Rho)x 0.1528725E-13 GRAD(Rho)y 0.6229866E-14 GRAD(Rho)z 0.1039038E-13 Laplacian 0.5759786E+00 (-1/4)Del**2(Rho)) -0.1439947E+00 Diamond 0.1147540E+01 Metallicity 0.4992139E+01 Ellipticity 0.6664084E-01 Gb(Abramov) 0.2158033E+00 Vb(Abramov) -0.2876120E+00 Hb(Abramov) -0.7180867E-01 Ex_ueg -0.5817222E-01 Ec_ueg -0.8358967E-02 Delta_ex -0.6164635E-01 Delta_ec 0.1451393E-01 Delta_et -0.1926693E+00 Pxc 0.6959259E+01 Qxc -0.4247392E+01 3,-1 110 3 +1 -0.531276 1.676244 -0.537131 Rho 0.8709626E-02 |GRAD(Rho)| 0.6541326E-14 GRAD(Rho)x -0.2373036E-14 GRAD(Rho)y -0.1842966E-14 GRAD(Rho)z 0.5810432E-14 Laplacian 0.3349829E-01 (-1/4)Del**2(Rho)) -0.8374573E-02 Diamond 0.9278383E-03 Metallicity 0.7584431E+00 Ellipticity -0.1488267E+01 Gb(Abramov) 0.6641655E-02 Vb(Abramov) -0.4908737E-02 Hb(Abramov) 0.1732918E-02 Ex_ueg -0.1323481E-02 Ec_ueg -0.3098877E-03 Delta_ex -0.1542237E-02 Delta_ec 0.4838493E-03 Delta_et -0.3307779E-02 Pxc 0.4270840E+01 Qxc -0.3187432E+01 3,+1 111 3 +1 2.909460 0.169625 -0.178963 Rho 0.5275751E-02 |GRAD(Rho)| 0.8703668E-18 GRAD(Rho)x 0.6580483E-18 GRAD(Rho)y 0.2344813E-18 GRAD(Rho)z 0.5191621E-18 Laplacian 0.2172115E-01 (-1/4)Del**2(Rho)) -0.5430286E-02 Diamond 0.5215644E-03 Metallicity 0.5072293E+00 Ellipticity -0.2598271E+01 Gb(Abramov) 0.4079258E-02 Vb(Abramov) -0.2728229E-02 Hb(Abramov) 0.1351029E-02 Ex_ueg -0.6783141E-03 Ec_ueg -0.1587987E-03 Delta_ex -0.1071459E-02 Delta_ec 0.6486600E-03 Delta_et -0.3594181E-02 Pxc 0.4271533E+01 Qxc -0.1651803E+01 3,+1 112 3 -1 -0.885929 1.938718 3.061781 Rho 0.1554829E+00 |GRAD(Rho)| 0.2317816E-15 GRAD(Rho)x -0.1765217E-15 GRAD(Rho)y -0.1444564E-15 GRAD(Rho)z 0.4117258E-16 Laplacian 0.6031615E+00 (-1/4)Del**2(Rho)) -0.1507904E+00 Diamond 0.1266389E+01 Metallicity 0.5136303E+01 Ellipticity 0.7218866E-01 Gb(Abramov) 0.2296111E+00 Vb(Abramov) -0.3084318E+00 Hb(Abramov) -0.7882072E-01 Ex_ueg -0.6174881E-01 Ec_ueg -0.8795418E-02 Delta_ex -0.6525657E-01 Delta_ec 0.1500130E-01 Delta_et -0.2002716E+00 Pxc 0.7020566E+01 Qxc -0.4350062E+01 3,-1 113 3 +1 1.679032 -0.543008 -0.529196 Rho 0.8429741E-02 |GRAD(Rho)| 0.9871337E-16 GRAD(Rho)x -0.6289313E-16 GRAD(Rho)y 0.7199968E-16 GRAD(Rho)z 0.2459326E-16 Laplacian 0.3256843E-01 (-1/4)Del**2(Rho)) -0.8142107E-02 Diamond 0.8647503E-03 Metallicity 0.7387657E+00 Ellipticity -0.1470940E+01 Gb(Abramov) 0.6430590E-02 Vb(Abramov) -0.4719072E-02 Hb(Abramov) 0.1711517E-02 Ex_ueg -0.1267080E-02 Ec_ueg -0.2973687E-03 Delta_ex -0.1488031E-02 Delta_ec 0.4720104E-03 Delta_et -0.3198401E-02 Pxc 0.4260973E+01 Qxc -0.3152540E+01 3,+1 114 3 -1 -0.580969 -1.738797 2.807116 Rho 0.1611727E+00 |GRAD(Rho)| 0.5007794E-15 GRAD(Rho)x -0.4386682E-15 GRAD(Rho)y -0.2271946E-15 GRAD(Rho)z 0.8205378E-16 Laplacian 0.6754976E+00 (-1/4)Del**2(Rho)) -0.1688744E+00 Diamond 0.1481751E+01 Metallicity 0.4869398E+01 Ellipticity 0.2054183E-01 Gb(Abramov) 0.2496357E+00 Vb(Abramov) -0.3303970E+00 Hb(Abramov) -0.8076131E-01 Ex_ueg -0.6477993E-01 Ec_ueg -0.9162523E-02 Delta_ex -0.7374566E-01 Delta_ec 0.1666282E-01 Delta_et -0.2235074E+00 Pxc 0.7070097E+01 Qxc -0.4425761E+01 3,-1 115 3 -1 0.526312 -1.683368 1.758067 Rho 0.5001909E-01 |GRAD(Rho)| 0.7513235E-16 GRAD(Rho)x -0.7481842E-17 GRAD(Rho)y 0.6662126E-16 GRAD(Rho)z 0.3391901E-16 Laplacian 0.2032881E+00 (-1/4)Del**2(Rho)) -0.5082202E-01 Diamond 0.1022639E+00 Metallicity 0.2301764E+01 Ellipticity 0.1595690E-01 Gb(Abramov) 0.5337806E-01 Vb(Abramov) -0.5593411E-01 Hb(Abramov) -0.2556046E-02 Ex_ueg -0.1361129E-01 Ec_ueg -0.2415929E-02 Delta_ex -0.1669849E-01 Delta_ec 0.5992411E-02 Delta_et -0.6317663E-01 Pxc 0.5633979E+01 Qxc -0.2786606E+01 3,-1 116 3 -1 -0.875309 -1.936406 -3.021428 Rho 0.1519035E+00 |GRAD(Rho)| 0.1378675E-12 GRAD(Rho)x 0.1065077E-12 GRAD(Rho)y -0.7665742E-13 GRAD(Rho)z 0.4227525E-13 Laplacian 0.5969178E+00 (-1/4)Del**2(Rho)) -0.1492295E+00 Diamond 0.1231249E+01 Metallicity 0.4992428E+01 Ellipticity 0.4828267E-01 Gb(Abramov) 0.2236559E+00 Vb(Abramov) -0.2980823E+00 Hb(Abramov) -0.7442640E-01 Ex_ueg -0.5986077E-01 Ec_ueg -0.8565480E-02 Delta_ex -0.6433323E-01 Delta_ec 0.1515254E-01 Delta_et -0.2021904E+00 Pxc 0.6988606E+01 Qxc -0.4245706E+01 3,-1 117 3 -1 -0.528601 -1.683722 -1.764414 Rho 0.4860041E-01 |GRAD(Rho)| 0.1022618E-15 GRAD(Rho)x 0.5508022E-16 GRAD(Rho)y -0.8538431E-16 GRAD(Rho)z 0.1153998E-16 Laplacian 0.1971613E+00 (-1/4)Del**2(Rho)) -0.4929033E-01 Diamond 0.9514817E-01 Metallicity 0.2262167E+01 Ellipticity 0.1533995E-01 Gb(Abramov) 0.5144405E-01 Vb(Abramov) -0.5359777E-01 Hb(Abramov) -0.2153717E-02 Ex_ueg -0.1309901E-01 Ec_ueg -0.2337657E-02 Delta_ex -0.1606796E-01 Delta_ec 0.5794812E-02 Delta_et -0.6063170E-01 Pxc 0.5603476E+01 Qxc -0.2772818E+01 3,-1 118 3 -1 -0.838757 2.944891 2.070703 Rho 0.1126047E+00 |GRAD(Rho)| 0.2647540E-15 GRAD(Rho)x 0.1788798E-15 GRAD(Rho)y -0.1765217E-16 GRAD(Rho)z -0.1943839E-15 Laplacian 0.4336796E+00 (-1/4)Del**2(Rho)) -0.1084199E+00 Diamond 0.6209526E+00 Metallicity 0.4172264E+01 Ellipticity 0.2544554E-01 Gb(Abramov) 0.1476727E+00 Vb(Abramov) -0.1869254E+00 Hb(Abramov) -0.3925277E-01 Ex_ueg -0.4016001E-01 Ec_ueg -0.6094731E-02 Delta_ex -0.4343724E-01 Delta_ec 0.1173901E-01 Delta_et -0.1491121E+00 Pxc 0.6589300E+01 Qxc -0.3700248E+01 3,-1 119 3 -1 -0.467656 -0.460242 -0.474250 Rho 0.1840363E+00 |GRAD(Rho)| 0.3325244E-15 GRAD(Rho)x 0.1526557E-15 GRAD(Rho)y 0.2949030E-15 GRAD(Rho)z -0.1734723E-16 Laplacian 0.5039536E+00 (-1/4)Del**2(Rho)) -0.1259884E+00 Diamond 0.1331065E+01 Metallicity 0.8141953E+01 Ellipticity 0.2877402E-02 Gb(Abramov) 0.2549575E+00 Vb(Abramov) -0.3839267E+00 Hb(Abramov) -0.1289691E+00 Ex_ueg -0.7731371E-01 Ec_ueg -0.1065689E-01 Delta_ex -0.5714173E-01 Delta_ec 0.1247828E-01 Delta_et -0.1713146E+00 Pxc 0.7254812E+01 Qxc -0.4579295E+01 3,-1 120 3 +3 -0.007673 2.331533 0.007648 Rho 0.4630434E-02 |GRAD(Rho)| 0.3752744E-17 GRAD(Rho)x -0.3054206E-17 GRAD(Rho)y -0.5317074E-18 GRAD(Rho)z 0.2114758E-17 Laplacian 0.1885750E-01 (-1/4)Del**2(Rho)) -0.4714376E-02 Diamond 0.1713615E-03 Metallicity 0.4700728E+00 Ellipticity -0.3406531E+00 Gb(Abramov) 0.3512267E-02 Vb(Abramov) -0.2310158E-02 Hb(Abramov) 0.1202109E-02 Ex_ueg -0.5700075E-03 Ec_ueg -0.1310437E-03 Delta_ex -0.6921329E-03 Delta_ec 0.1800637E-03 Delta_et -0.1124158E-02 Pxc 0.4349752E+01 Qxc -0.3843824E+01 3,+3 121 3 -1 -0.472879 0.477705 0.476662 Rho 0.1877498E+00 |GRAD(Rho)| 0.3709064E-15 GRAD(Rho)x 0.2428613E-16 GRAD(Rho)y -0.4163336E-16 GRAD(Rho)z 0.3677614E-15 Laplacian 0.5176490E+00 (-1/4)Del**2(Rho)) -0.1294122E+00 Diamond 0.1396598E+01 Metallicity 0.8194903E+01 Ellipticity 0.7989194E-03 Gb(Abramov) 0.2630283E+00 Vb(Abramov) -0.3966443E+00 Hb(Abramov) -0.1336160E+00 Ex_ueg -0.7940073E-01 Ec_ueg -0.1090244E-01 Delta_ex -0.5896175E-01 Delta_ec 0.1269966E-01 Delta_et -0.1745725E+00 Pxc 0.7282838E+01 Qxc -0.4642780E+01 3,-1 122 3 +1 0.160961 -2.896454 0.156740 Rho 0.5282176E-02 |GRAD(Rho)| 0.9257559E-17 GRAD(Rho)x 0.2960028E-17 GRAD(Rho)y 0.3786966E-18 GRAD(Rho)z -0.8763402E-17 Laplacian 0.2186281E-01 (-1/4)Del**2(Rho)) -0.5465703E-02 Diamond 0.5380312E-03 Metallicity 0.5049657E+00 Ellipticity -0.2899569E+01 Gb(Abramov) 0.4103801E-02 Vb(Abramov) -0.2741899E-02 Hb(Abramov) 0.1361902E-02 Ex_ueg -0.6794157E-03 Ec_ueg -0.1590761E-03 Delta_ex -0.1089240E-02 Delta_ec 0.6716965E-03 Delta_et -0.3715210E-02 Pxc 0.4271010E+01 Qxc -0.1621625E+01 3,+1 123 3 -1 0.001869 -2.902240 -0.003780 Rho 0.5311848E-02 |GRAD(Rho)| 0.1063934E-16 GRAD(Rho)x 0.8339789E-17 GRAD(Rho)y -0.6947269E-18 GRAD(Rho)z -0.6569683E-17 Laplacian 0.2145796E-01 (-1/4)Del**2(Rho)) -0.5364490E-02 Diamond 0.6292100E-03 Metallicity 0.5193189E+00 Ellipticity 0.3298285E+01 Gb(Abramov) 0.4040640E-02 Vb(Abramov) -0.2716791E-02 Hb(Abramov) 0.1323850E-02 Ex_ueg -0.6845092E-03 Ec_ueg -0.1603575E-03 Delta_ex -0.1153463E-02 Delta_ec 0.8078347E-03 Delta_et -0.4414569E-02 Pxc 0.4268645E+01 Qxc -0.1427845E+01 3,-1 124 3 -1 -0.065638 -3.101980 3.271374 Rho 0.2506026E+00 |GRAD(Rho)| 0.1237683E-12 GRAD(Rho)x 0.2288076E-13 GRAD(Rho)y 0.8600022E-13 GRAD(Rho)z -0.8601756E-13 Laplacian 0.9178259E+00 (-1/4)Del**2(Rho)) -0.2294565E+00 Diamond 0.3403017E+01 Metallicity 0.7478747E+01 Ellipticity 0.2288827E-02 Gb(Abramov) 0.4389788E+00 Vb(Abramov) -0.6485011E+00 Hb(Abramov) -0.2095223E+00 Ex_ueg -0.1166897E+00 Ec_ueg -0.1517512E-01 Delta_ex -0.1120715E+00 Delta_ec 0.1986677E-01 Delta_et -0.2748344E+00 Pxc 0.7689541E+01 Qxc -0.5641154E+01 3,-1 125 3 -1 0.833846 -2.949251 2.036795 Rho 0.1229922E+00 |GRAD(Rho)| 0.1083414E-12 GRAD(Rho)x 0.7488385E-13 GRAD(Rho)y -0.5102010E-13 GRAD(Rho)z -0.5939034E-13 Laplacian 0.4826778E+00 (-1/4)Del**2(Rho)) -0.1206694E+00 Diamond 0.7764404E+00 Metallicity 0.4342622E+01 Ellipticity 0.1815296E-01 Gb(Abramov) 0.1677832E+00 Vb(Abramov) -0.2148971E+00 Hb(Abramov) -0.4711381E-01 Ex_ueg -0.4517401E-01 Ec_ueg -0.6737773E-02 Delta_ex -0.4947436E-01 Delta_ec 0.1298418E-01 Delta_et -0.1678301E+00 Pxc 0.6704590E+01 Qxc -0.3810356E+01 3,-1 126 3 -1 0.065261 -3.113455 -3.274944 Rho 0.2513000E+00 |GRAD(Rho)| 0.5433850E-14 GRAD(Rho)x 0.2629461E-14 GRAD(Rho)y 0.4716496E-14 GRAD(Rho)z 0.6060690E-15 Laplacian 0.9175199E+00 (-1/4)Del**2(Rho)) -0.2293800E+00 Diamond 0.3414412E+01 Metallicity 0.7515973E+01 Ellipticity 0.2804357E-02 Gb(Abramov) 0.4402556E+00 Vb(Abramov) -0.6511313E+00 Hb(Abramov) -0.2108756E+00 Ex_ueg -0.1171229E+00 Ec_ueg -0.1522375E-01 Delta_ex -0.1121216E+00 Delta_ec 0.1985342E-01 Delta_et -0.2747111E+00 Pxc 0.7693434E+01 Qxc -0.5647472E+01 3,-1 127 3 -1 1.768636 -2.823739 -0.572975 Rho 0.1422847E+00 |GRAD(Rho)| 0.1132985E-12 GRAD(Rho)x -0.1015561E-12 GRAD(Rho)y -0.4466499E-13 GRAD(Rho)z 0.2297708E-13 Laplacian 0.5994358E+00 (-1/4)Del**2(Rho)) -0.1498590E+00 Diamond 0.1120708E+01 Metallicity 0.4457937E+01 Ellipticity 0.2328135E-01 Gb(Abramov) 0.2112496E+00 Vb(Abramov) -0.2726403E+00 Hb(Abramov) -0.6139065E-01 Ex_ueg -0.5486085E-01 Ec_ueg -0.7951465E-02 Delta_ex -0.6333919E-01 Delta_ec 0.1503830E-01 Delta_et -0.1978874E+00 Pxc 0.6899464E+01 Qxc -0.4211858E+01 3,-1 128 3 +1 0.186199 0.194717 -2.905333 Rho 0.5315988E-02 |GRAD(Rho)| 0.6443363E-14 GRAD(Rho)x 0.3906338E-14 GRAD(Rho)y 0.5093441E-14 GRAD(Rho)z -0.5606254E-15 Laplacian 0.2205578E-01 (-1/4)Del**2(Rho)) -0.5513945E-02 Diamond 0.5146076E-03 Metallicity 0.5058992E+00 Ellipticity -0.2201298E+01 Gb(Abramov) 0.4140880E-02 Vb(Abramov) -0.2767815E-02 Hb(Abramov) 0.1373065E-02 Ex_ueg -0.6852205E-03 Ec_ueg -0.1605363E-03 Delta_ex -0.1072121E-02 Delta_ec 0.6274359E-03 Delta_et -0.3497679E-02 Pxc 0.4268322E+01 Qxc -0.1708733E+01 3,+1 129 3 +1 0.524568 1.676054 0.546421 Rho 0.8736713E-02 |GRAD(Rho)| 0.4466441E-16 GRAD(Rho)x -0.3138478E-16 GRAD(Rho)y -0.3043128E-16 GRAD(Rho)z -0.9156549E-17 Laplacian 0.3368914E-01 (-1/4)Del**2(Rho)) -0.8422284E-02 Diamond 0.9406378E-03 Metallicity 0.7580596E+00 Ellipticity -0.1491152E+01 Gb(Abramov) 0.6678955E-02 Vb(Abramov) -0.4935626E-02 Hb(Abramov) 0.1743329E-02 Ex_ueg -0.1328972E-02 Ec_ueg -0.3111012E-03 Delta_ex -0.1553808E-02 Delta_ec 0.4894077E-03 Delta_et -0.3346259E-02 Pxc 0.4271832E+01 Qxc -0.3174875E+01 3,+1 130 3 +3 1.112556 1.119192 1.127789 Rho 0.5093847E-02 |GRAD(Rho)| 0.3967445E-17 GRAD(Rho)x -0.3918374E-17 GRAD(Rho)y 0.4052126E-18 GRAD(Rho)z 0.4719826E-18 Laplacian 0.1968625E-01 (-1/4)Del**2(Rho)) -0.4921561E-02 Diamond 0.1406085E-03 Metallicity 0.5278698E+00 Ellipticity -0.1986620E-01 Gb(Abramov) 0.3714031E-02 Vb(Abramov) -0.2506502E-02 Hb(Abramov) 0.1207530E-02 Ex_ueg -0.6473109E-03 Ec_ueg -0.1509537E-03 Delta_ex -0.6832930E-03 Delta_ec 0.8604889E-04 Delta_et -0.6853210E-03 Pxc 0.4288143E+01 Qxc -0.7940753E+01 3,+3 131 3 -1 -0.542425 1.684548 1.795251 Rho 0.4362724E-01 |GRAD(Rho)| 0.2280756E-15 GRAD(Rho)x -0.3642295E-16 GRAD(Rho)y -0.1199087E-15 GRAD(Rho)z -0.1905617E-15 Laplacian 0.1829143E+00 (-1/4)Del**2(Rho)) -0.4572858E-01 Diamond 0.7883010E-01 Metallicity 0.2036863E+01 Ellipticity 0.1168907E-01 Gb(Abramov) 0.4600952E-01 Vb(Abramov) -0.4629047E-01 Hb(Abramov) -0.2809471E-03 Ex_ueg -0.1134302E-01 Ec_ueg -0.2065764E-02 Delta_ex -0.1464325E-01 Delta_ec 0.5621084E-02 Delta_et -0.5720807E-01 Pxc 0.5490957E+01 Qxc -0.2605058E+01 3,-1 132 3 -1 -0.572835 1.761919 -2.831941 Rho 0.1444388E+00 |GRAD(Rho)| 0.6752951E-13 GRAD(Rho)x -0.8261377E-14 GRAD(Rho)y -0.5789936E-13 GRAD(Rho)z 0.3375868E-13 Laplacian 0.6081245E+00 (-1/4)Del**2(Rho)) -0.1520311E+00 Diamond 0.1157139E+01 Metallicity 0.4505682E+01 Ellipticity 0.2473743E-01 Gb(Abramov) 0.2155214E+00 Vb(Abramov) -0.2790117E+00 Hb(Abramov) -0.6349029E-01 Ex_ueg -0.5597108E-01 Ec_ueg -0.8088475E-02 Delta_ex -0.6448936E-01 Delta_ec 0.1518978E-01 Delta_et -0.2002826E+00 Pxc 0.6919856E+01 Qxc -0.4245575E+01 3,-1 133 3 -1 0.577299 -1.748867 -2.804761 Rho 0.1605004E+00 |GRAD(Rho)| 0.2635221E-15 GRAD(Rho)x 0.1144104E-15 GRAD(Rho)y -0.2043721E-15 GRAD(Rho)z -0.1207733E-15 Laplacian 0.6726245E+00 (-1/4)Del**2(Rho)) -0.1681561E+00 Diamond 0.1467716E+01 Metallicity 0.4856247E+01 Ellipticity 0.2019652E-01 Gb(Abramov) 0.2482054E+00 Vb(Abramov) -0.3282546E+00 Hb(Abramov) -0.8004923E-01 Ex_ueg -0.6441988E-01 Ec_ueg -0.9119045E-02 Delta_ex -0.7335261E-01 Delta_ec 0.1660404E-01 Delta_et -0.2225892E+00 Pxc 0.7064323E+01 Qxc -0.4417756E+01 3,-1 134 3 +1 1.436627 -1.038342 2.154196 Rho 0.2777705E-01 |GRAD(Rho)| 0.2650596E-15 GRAD(Rho)x 0.2174327E-15 GRAD(Rho)y 0.1397789E-15 GRAD(Rho)z 0.5866410E-16 Laplacian 0.1107923E+00 (-1/4)Del**2(Rho)) -0.2769807E-01 Diamond 0.1562272E-01 Metallicity 0.1584578E+01 Ellipticity -0.2863974E+01 Gb(Abramov) 0.2578034E-01 Vb(Abramov) -0.2386261E-01 Hb(Abramov) 0.1917729E-02 Ex_ueg -0.6212978E-02 Ec_ueg -0.1229525E-02 Delta_ex -0.6981339E-02 Delta_ec 0.1689679E-02 Delta_et -0.1533008E-01 Pxc 0.5053151E+01 Qxc -0.4131754E+01 3,+1 135 3 +1 1.756484 -1.746365 -1.741588 Rho 0.1189783E-01 |GRAD(Rho)| 0.1281298E-16 GRAD(Rho)x 0.6175635E-17 GRAD(Rho)y 0.1014471E-16 GRAD(Rho)z -0.4808209E-17 Laplacian 0.5956413E-01 (-1/4)Del**2(Rho)) -0.1489103E-01 Diamond 0.2363146E-02 Metallicity 0.7173663E+00 Ellipticity -0.1250146E+01 Gb(Abramov) 0.1170774E-01 Vb(Abramov) -0.8524453E-02 Hb(Abramov) 0.3183290E-02 Ex_ueg -0.2006050E-02 Ec_ueg -0.4548543E-03 Delta_ex -0.2922480E-02 Delta_ec 0.7753469E-03 Delta_et -0.5799956E-02 Pxc 0.4410314E+01 Qxc -0.3769255E+01 3,+1 136 3 +3 1.132923 -1.111946 -1.093806 Rho 0.5072531E-02 |GRAD(Rho)| 0.9718325E-17 GRAD(Rho)x 0.9352476E-17 GRAD(Rho)y 0.1875539E-17 GRAD(Rho)z -0.1859939E-17 Laplacian 0.1974107E-01 (-1/4)Del**2(Rho)) -0.4935267E-02 Diamond 0.1411833E-03 Metallicity 0.5227376E+00 Ellipticity -0.4402653E-01 Gb(Abramov) 0.3720153E-02 Vb(Abramov) -0.2505039E-02 Hb(Abramov) 0.1215114E-02 Ex_ueg -0.6437017E-03 Ec_ueg -0.1500354E-03 Delta_ex -0.6853002E-03 Delta_ec 0.8790066E-04 Delta_et -0.6948829E-03 Pxc 0.4290331E+01 Qxc -0.7796303E+01 3,+3 137 3 -1 0.531437 2.732564 1.884006 Rho 0.1046155E+00 |GRAD(Rho)| 0.4042609E-15 GRAD(Rho)x 0.1887867E-15 GRAD(Rho)y 0.1236533E-15 GRAD(Rho)z -0.3354047E-15 Laplacian 0.4318460E+00 (-1/4)Del**2(Rho)) -0.1079615E+00 Diamond 0.5650888E+00 Metallicity 0.3706330E+01 Ellipticity 0.1177464E-01 Gb(Abramov) 0.1386645E+00 Vb(Abramov) -0.1693675E+00 Hb(Abramov) -0.3070300E-01 Ex_ueg -0.3640656E-01 Ec_ueg -0.5605479E-02 Delta_ex -0.4249753E-01 Delta_ec 0.1186326E-01 Delta_et -0.1485956E+00 Pxc 0.6494816E+01 Qxc -0.3582280E+01 3,-1 138 3 -1 0.048796 3.099886 3.308285 Rho 0.2399162E+00 |GRAD(Rho)| 0.4264633E-12 GRAD(Rho)x -0.8465166E-13 GRAD(Rho)y -0.3003308E-12 GRAD(Rho)z -0.2906999E-12 Laplacian 0.8613510E+00 (-1/4)Del**2(Rho)) -0.2153377E+00 Diamond 0.3056502E+01 Metallicity 0.7410808E+01 Ellipticity 0.2129873E-02 Gb(Abramov) 0.4095296E+00 Vb(Abramov) -0.6037215E+00 Hb(Abramov) -0.1941919E+00 Ex_ueg -0.1101026E+00 Ec_ueg -0.1443332E-01 Delta_ex -0.1041201E+00 Delta_ec 0.1913863E-01 Delta_et -0.2655799E+00 Pxc 0.7628366E+01 Qxc -0.5440311E+01 3,-1 139 3 -1 -0.051362 3.108828 -3.303784 Rho 0.2405962E+00 |GRAD(Rho)| 0.2180319E-15 GRAD(Rho)x 0.4729832E-16 GRAD(Rho)y -0.2677979E-16 GRAD(Rho)z -0.2111484E-15 Laplacian 0.8626646E+00 (-1/4)Del**2(Rho)) -0.2156661E+00 Diamond 0.3072384E+01 Metallicity 0.7434512E+01 Ellipticity 0.3204822E-03 Gb(Abramov) 0.4110062E+00 Vb(Abramov) -0.6063462E+00 Hb(Abramov) -0.1953400E+00 Ex_ueg -0.1105189E+00 Ec_ueg -0.1448034E-01 Delta_ex -0.1043600E+00 Delta_ec 0.1915911E-01 Delta_et -0.2659238E+00 Pxc 0.7632346E+01 Qxc -0.5447018E+01 3,-1 140 3 -1 0.014074 2.911914 -0.014979 Rho 0.5344504E-02 |GRAD(Rho)| 0.1647618E-14 GRAD(Rho)x -0.1558213E-14 GRAD(Rho)y 0.5351918E-15 GRAD(Rho)z 0.1371913E-16 Laplacian 0.2145113E-01 (-1/4)Del**2(Rho)) -0.5362783E-02 Diamond 0.6358730E-03 Metallicity 0.5248179E+00 Ellipticity 0.2847800E+01 Gb(Abramov) 0.4044270E-02 Vb(Abramov) -0.2725756E-02 Hb(Abramov) 0.1318514E-02 Ex_ueg -0.6901258E-03 Ec_ueg -0.1617682E-03 Delta_ex -0.1155798E-02 Delta_ec 0.8101009E-03 Delta_et -0.4434391E-02 Pxc 0.4266140E+01 Qxc -0.1426733E+01 3,-1 141 3 -1 0.474305 0.481026 -0.470030 Rho 0.1876044E+00 |GRAD(Rho)| 0.1112930E-15 GRAD(Rho)x 0.1075529E-15 GRAD(Rho)y 0.2775558E-16 GRAD(Rho)z 0.6938894E-17 Laplacian 0.5171876E+00 (-1/4)Del**2(Rho)) -0.1292969E+00 Diamond 0.1394304E+01 Metallicity 0.8191626E+01 Ellipticity 0.9808690E-03 Gb(Abramov) 0.2627232E+00 Vb(Abramov) -0.3961496E+00 Hb(Abramov) -0.1334263E+00 Ex_ueg -0.7931873E-01 Ec_ueg -0.1089281E-01 Delta_ex -0.5889954E-01 Delta_ec 0.1269423E-01 Delta_et -0.1744939E+00 Pxc 0.7281750E+01 Qxc -0.4639867E+01 3,-1 142 3 +1 1.667069 0.530163 0.534272 Rho 0.8781620E-02 |GRAD(Rho)| 0.5433029E-17 GRAD(Rho)x 0.7792968E-18 GRAD(Rho)y 0.2390423E-17 GRAD(Rho)z 0.4816262E-17 Laplacian 0.3394499E-01 (-1/4)Del**2(Rho)) -0.8486246E-02 Diamond 0.9513549E-03 Metallicity 0.7588022E+00 Ellipticity -0.1486248E+01 Gb(Abramov) 0.6730728E-02 Vb(Abramov) -0.4975210E-02 Hb(Abramov) 0.1755518E-02 Ex_ueg -0.1338088E-02 Ec_ueg -0.3131136E-03 Delta_ex -0.1566288E-02 Delta_ec 0.4907220E-03 Delta_et -0.3361581E-02 Pxc 0.4273490E+01 Qxc -0.3191804E+01 3,+1 143 3 -1 0.551503 -2.742818 -1.851422 Rho 0.1288914E+00 |GRAD(Rho)| 0.1279270E-15 GRAD(Rho)x 0.3657827E-16 GRAD(Rho)y 0.4276500E-16 GRAD(Rho)z 0.1148848E-15 Laplacian 0.5385435E+00 (-1/4)Del**2(Rho)) -0.1346359E+00 Diamond 0.9149673E+00 Metallicity 0.4208225E+01 Ellipticity 0.1543468E-01 Gb(Abramov) 0.1841869E+00 Vb(Abramov) -0.2337380E+00 Hb(Abramov) -0.4955106E-01 Ex_ueg -0.4808582E-01 Ec_ueg -0.7106287E-02 Delta_ex -0.5580487E-01 Delta_ec 0.1429490E-01 Delta_et -0.1861830E+00 Pxc 0.6766658E+01 Qxc -0.3903831E+01 3,-1 144 3 -1 0.874772 -1.929187 3.021797 Rho 0.1557750E+00 |GRAD(Rho)| 0.4916946E-15 GRAD(Rho)x -0.4547415E-15 GRAD(Rho)y 0.4778621E-16 GRAD(Rho)z -0.1808043E-15 Laplacian 0.6097748E+00 (-1/4)Del**2(Rho)) -0.1524437E+00 Diamond 0.1297049E+01 Metallicity 0.5096513E+01 Ellipticity 0.5295897E-01 Gb(Abramov) 0.2311177E+00 Vb(Abramov) -0.3097917E+00 Hb(Abramov) -0.7867398E-01 Ex_ueg -0.6190351E-01 Ec_ueg -0.8814214E-02 Delta_ex -0.6613425E-01 Delta_ec 0.1539342E-01 Delta_et -0.2061350E+00 Pxc 0.7023146E+01 Qxc -0.4296267E+01 3,-1 145 3 +1 0.542597 -0.508831 -1.666375 Rho 0.8947230E-02 |GRAD(Rho)| 0.1436521E-14 GRAD(Rho)x -0.7933998E-15 GRAD(Rho)y 0.6072763E-15 GRAD(Rho)z 0.1032146E-14 Laplacian 0.3489952E-01 (-1/4)Del**2(Rho)) -0.8724881E-02 Diamond 0.9851732E-03 Metallicity 0.7613915E+00 Ellipticity -0.1461784E+01 Gb(Abramov) 0.6923762E-02 Vb(Abramov) -0.5122644E-02 Hb(Abramov) 0.1801119E-02 Ex_ueg -0.1371839E-02 Ec_ueg -0.3205428E-03 Delta_ex -0.1610190E-02 Delta_ec 0.4906628E-03 Delta_et -0.3388265E-02 Pxc 0.4279738E+01 Qxc -0.3281663E+01 3,+1 146 3 -1 0.840819 2.956771 -2.071668 Rho 0.1151512E+00 |GRAD(Rho)| 0.1730585E-13 GRAD(Rho)x 0.8414717E-14 GRAD(Rho)y -0.5014137E-14 GRAD(Rho)z 0.1426686E-13 Laplacian 0.4447479E+00 (-1/4)Del**2(Rho)) -0.1111870E+00 Diamond 0.6541855E+00 Metallicity 0.4222927E+01 Ellipticity 0.2811963E-01 Gb(Abramov) 0.1523804E+00 Vb(Abramov) -0.1935738E+00 Hb(Abramov) -0.4119342E-01 Ex_ueg -0.4137549E-01 Ec_ueg -0.6251666E-02 Delta_ex -0.4478281E-01 Delta_ec 0.1197719E-01 Delta_et -0.1527550E+00 Pxc 0.6618315E+01 Qxc -0.3739008E+01 3,-1 147 3 +1 1.077824 2.175439 -1.406334 Rho 0.2693925E-01 |GRAD(Rho)| 0.2789863E-16 GRAD(Rho)x 0.2565667E-16 GRAD(Rho)y 0.1027634E-16 GRAD(Rho)z -0.3803396E-17 Laplacian 0.1078724E+00 (-1/4)Del**2(Rho)) -0.2696809E-01 Diamond 0.1582706E-01 Metallicity 0.1546485E+01 Ellipticity -0.3915773E+01 Gb(Abramov) 0.2492968E-01 Vb(Abramov) -0.2289127E-01 Hb(Abramov) 0.2038407E-02 Ex_ueg -0.5964387E-02 Ec_ueg -0.1186840E-02 Delta_ex -0.6863285E-02 Delta_ec 0.1863830E-02 Delta_et -0.1674801E-01 Pxc 0.5025436E+01 Qxc -0.3682356E+01 3,+1 148 3 -1 0.468079 -0.468906 0.471683 Rho 0.1859702E+00 |GRAD(Rho)| 0.1434487E-12 GRAD(Rho)x -0.8264917E-13 GRAD(Rho)y 0.8553228E-13 GRAD(Rho)z -0.8019280E-13 Laplacian 0.5114038E+00 (-1/4)Del**2(Rho)) -0.1278510E+00 Diamond 0.1366452E+01 Metallicity 0.8164349E+01 Ellipticity 0.3209563E-02 Gb(Abramov) 0.2592039E+00 Vb(Abramov) -0.3905569E+00 Hb(Abramov) -0.1313530E+00 Ex_ueg -0.7839884E-01 Ec_ueg -0.1078467E-01 Delta_ex -0.5812884E-01 Delta_ec 0.1260999E-01 Delta_et -0.1732639E+00 Pxc 0.7269472E+01 Qxc -0.4609746E+01 3,-1 149 3 -1 2.913587 -0.012735 -0.003627 Rho 0.5319988E-02 |GRAD(Rho)| 0.4107095E-17 GRAD(Rho)x 0.1665981E-17 GRAD(Rho)y -0.3566222E-17 GRAD(Rho)z -0.1172520E-17 Laplacian 0.2132440E-01 (-1/4)Del**2(Rho)) -0.5331101E-02 Diamond 0.6310493E-03 Metallicity 0.5239068E+00 Ellipticity 0.2719388E+01 Gb(Abramov) 0.4019567E-02 Vb(Abramov) -0.2708033E-02 Hb(Abramov) 0.1311534E-02 Ex_ueg -0.6859080E-03 Ec_ueg -0.1607091E-03 Delta_ex -0.1150423E-02 Delta_ec 0.8096264E-03 Delta_et -0.4424138E-02 Pxc 0.4268011E+01 Qxc -0.1420931E+01 3,-1 150 3 +3 2.325629 -0.016487 -0.004070 Rho 0.4587820E-02 |GRAD(Rho)| 0.7788111E-17 GRAD(Rho)x 0.4621903E-17 GRAD(Rho)y 0.5905714E-17 GRAD(Rho)z 0.2101243E-17 Laplacian 0.1867041E-01 (-1/4)Del**2(Rho)) -0.4667603E-02 Diamond 0.1664486E-03 Metallicity 0.4675233E+00 Ellipticity -0.3335212E+00 Gb(Abramov) 0.3475437E-02 Vb(Abramov) -0.2283272E-02 Hb(Abramov) 0.1192165E-02 Ex_ueg -0.5630240E-03 Ec_ueg -0.1292184E-03 Delta_ex -0.6825133E-03 Delta_ec 0.1762367E-03 Delta_et -0.1100548E-02 Pxc 0.4357151E+01 Qxc -0.3872708E+01 3,+3 151 3 +1 1.401384 1.077581 -2.175939 Rho 0.2662554E-01 |GRAD(Rho)| 0.1861828E-16 GRAD(Rho)x 0.1597118E-16 GRAD(Rho)y 0.2808132E-17 GRAD(Rho)z 0.9147460E-17 Laplacian 0.1064412E+00 (-1/4)Del**2(Rho)) -0.2661031E-01 Diamond 0.1534801E-01 Metallicity 0.1536977E+01 Ellipticity -0.3823548E+01 Gb(Abramov) 0.2455677E-01 Vb(Abramov) -0.2250324E-01 Hb(Abramov) 0.2053533E-02 Ex_ueg -0.5871957E-02 Ec_ueg -0.1170901E-02 Delta_ex -0.6749121E-02 Delta_ec 0.1835675E-02 Delta_et -0.1644867E-01 Pxc 0.5014906E+01 Qxc -0.3676643E+01 3,+1 152 3 -1 1.867811 -0.539629 -2.728584 Rho 0.1114851E+00 |GRAD(Rho)| 0.2242421E-15 GRAD(Rho)x 0.1837858E-15 GRAD(Rho)y 0.7695803E-16 GRAD(Rho)z 0.1028823E-15 Laplacian 0.4641783E+00 (-1/4)Del**2(Rho)) -0.1160446E+00 Diamond 0.6539710E+00 Metallicity 0.3833744E+01 Ellipticity 0.9275830E-02 Gb(Abramov) 0.1515106E+00 Vb(Abramov) -0.1869766E+00 Hb(Abramov) -0.3546601E-01 Ex_ueg -0.3962849E-01 Ec_ueg -0.6025882E-02 Delta_ex -0.4634221E-01 Delta_ec 0.1252190E-01 Delta_et -0.1586609E+00 Pxc 0.6576380E+01 Qxc -0.3700892E+01 3,-1 153 3 -1 1.778188 -0.539290 1.688809 Rho 0.4289060E-01 |GRAD(Rho)| 0.1783573E-12 GRAD(Rho)x -0.1621366E-12 GRAD(Rho)y 0.7411323E-13 GRAD(Rho)z -0.5501875E-14 Laplacian 0.1796850E+00 (-1/4)Del**2(Rho)) -0.4492124E-01 Diamond 0.7551997E-01 Metallicity 0.2015448E+01 Ellipticity 0.8225132E-02 Gb(Abramov) 0.4503690E-01 Vb(Abramov) -0.4515256E-01 Hb(Abramov) -0.1156562E-03 Ex_ueg -0.1108837E-01 Ec_ueg -0.2025835E-02 Delta_ex -0.1431645E-01 Delta_ec 0.5508608E-02 Delta_et -0.5580513E-01 Pxc 0.5473483E+01 Qxc -0.2598923E+01 3,-1 154 3 -1 1.875664 0.543522 2.738094 Rho 0.1103570E+00 |GRAD(Rho)| 0.1312386E-15 GRAD(Rho)x -0.1260656E-15 GRAD(Rho)y -0.9147956E-17 GRAD(Rho)z -0.3531789E-16 Laplacian 0.4562382E+00 (-1/4)Del**2(Rho)) -0.1140595E+00 Diamond 0.6360617E+00 Metallicity 0.3834905E+01 Ellipticity 0.1041240E-01 Gb(Abramov) 0.1489409E+00 Vb(Abramov) -0.1838223E+00 Hb(Abramov) -0.3488140E-01 Ex_ueg -0.3909473E-01 Ec_ueg -0.5956603E-02 Delta_ex -0.4545655E-01 Delta_ec 0.1236585E-01 Delta_et -0.1564341E+00 Pxc 0.6563259E+01 Qxc -0.3675976E+01 3,-1 155 3 -1 2.058166 0.832205 -2.953983 Rho 0.1092937E+00 |GRAD(Rho)| 0.9048631E-13 GRAD(Rho)x -0.2423010E-13 GRAD(Rho)y -0.8696651E-13 GRAD(Rho)z 0.6123723E-14 Laplacian 0.4227447E+00 (-1/4)Del**2(Rho)) -0.1056862E+00 Diamond 0.5845691E+00 Metallicity 0.4072491E+01 Ellipticity 0.2116069E-01 Gb(Abramov) 0.1421918E+00 Vb(Abramov) -0.1786974E+00 Hb(Abramov) -0.3650560E-01 Ex_ueg -0.3859329E-01 Ec_ueg -0.5891389E-02 Delta_ex -0.4205420E-01 Delta_ec 0.1153850E-01 Delta_et -0.1457847E+00 Pxc 0.6550796E+01 Qxc -0.3644685E+01 3,-1 156 3 -1 1.783577 0.534638 -1.686964 Rho 0.4380841E-01 |GRAD(Rho)| 0.1807090E-13 GRAD(Rho)x 0.4466071E-14 GRAD(Rho)y 0.1339070E-13 GRAD(Rho)z 0.1128275E-13 Laplacian 0.1835313E+00 (-1/4)Del**2(Rho)) -0.4588282E-01 Diamond 0.7949414E-01 Metallicity 0.2044085E+01 Ellipticity 0.2209850E-01 Gb(Abramov) 0.4621994E-01 Vb(Abramov) -0.4655706E-01 Hb(Abramov) -0.3371212E-03 Ex_ueg -0.1140587E-01 Ec_ueg -0.2075598E-02 Delta_ex -0.1470524E-01 Delta_ec 0.5635430E-02 Delta_et -0.5741713E-01 Pxc 0.5495221E+01 Qxc -0.2609427E+01 3,-1 157 3 -1 1.681946 1.786823 -0.531171 Rho 0.4498351E-01 |GRAD(Rho)| 0.3652687E-16 GRAD(Rho)x 0.2970799E-16 GRAD(Rho)y -0.3604760E-17 GRAD(Rho)z -0.2094405E-16 Laplacian 0.1884885E+00 (-1/4)Del**2(Rho)) -0.4712211E-01 Diamond 0.8472986E-01 Metallicity 0.2080098E+01 Ellipticity 0.1209651E-01 Gb(Abramov) 0.4775118E-01 Vb(Abramov) -0.4838025E-01 Hb(Abramov) -0.6290678E-03 Ex_ueg -0.1181561E-01 Ec_ueg -0.2139517E-02 Delta_ex -0.1520680E-01 Delta_ec 0.5795306E-02 Delta_et -0.5946777E-01 Pxc 0.5522560E+01 Qxc -0.2623986E+01 3,-1 158 3 +1 1.746938 1.748409 1.746231 Rho 0.1166379E-01 |GRAD(Rho)| 0.1680175E-14 GRAD(Rho)x -0.4044027E-15 GRAD(Rho)y 0.1367234E-14 GRAD(Rho)z -0.8888858E-15 Laplacian 0.5794620E-01 (-1/4)Del**2(Rho)) -0.1448655E-01 Diamond 0.2238046E-02 Metallicity 0.7133806E+00 Ellipticity -0.1245120E+01 Gb(Abramov) 0.1138010E-01 Vb(Abramov) -0.8273658E-02 Hb(Abramov) 0.3106446E-02 Ex_ueg -0.1953611E-02 Ec_ueg -0.4440709E-03 Delta_ex -0.2828523E-02 Delta_ec 0.7547460E-03 Delta_et -0.5618054E-02 Pxc 0.4399323E+01 Qxc -0.3747649E+01 3,+1 159 3 -1 1.946894 -3.038966 0.872750 Rho 0.1477541E+00 |GRAD(Rho)| 0.9828651E-16 GRAD(Rho)x 0.8890458E-17 GRAD(Rho)y -0.1780802E-16 GRAD(Rho)z -0.9625005E-16 Laplacian 0.5774701E+00 (-1/4)Del**2(Rho)) -0.1443675E+00 Diamond 0.1138944E+01 Metallicity 0.4927760E+01 Ellipticity 0.6624606E-01 Gb(Abramov) 0.2148131E+00 Vb(Abramov) -0.2852587E+00 Hb(Abramov) -0.7044557E-01 Ex_ueg -0.5769051E-01 Ec_ueg -0.8299899E-02 Delta_ex -0.6168098E-01 Delta_ec 0.1451998E-01 Delta_et -0.1924595E+00 Pxc 0.6950749E+01 Qxc -0.4248007E+01 3,-1 160 3 -1 1.696072 -1.784701 0.535616 Rho 0.4279433E-01 |GRAD(Rho)| 0.2581484E-15 GRAD(Rho)x 0.1594840E-15 GRAD(Rho)y -0.1823673E-15 GRAD(Rho)z -0.8914948E-16 Laplacian 0.1798331E+00 (-1/4)Del**2(Rho)) -0.4495827E-01 Diamond 0.7534339E-01 Metallicity 0.2006261E+01 Ellipticity 0.1706388E-01 Gb(Abramov) 0.4500518E-01 Vb(Abramov) -0.4505209E-01 Hb(Abramov) -0.4691172E-04 Ex_ueg -0.1105520E-01 Ec_ueg -0.2020624E-02 Delta_ex -0.1431984E-01 Delta_ec 0.5512438E-02 Delta_et -0.5581007E-01 Pxc 0.5471183E+01 Qxc -0.2597732E+01 3,-1 161 3 +1 1.293755 -2.182345 1.153087 Rho 0.2824371E-01 |GRAD(Rho)| 0.1056084E-15 GRAD(Rho)x 0.2680703E-16 GRAD(Rho)y -0.1021489E-15 GRAD(Rho)z -0.3388053E-18 Laplacian 0.1157622E+00 (-1/4)Del**2(Rho)) -0.2894055E-01 Diamond 0.1934505E-01 Metallicity 0.1559251E+01 Ellipticity -0.6956922E+01 Gb(Abramov) 0.2681463E-01 Vb(Abramov) -0.2468871E-01 Hb(Abramov) 0.2125921E-02 Ex_ueg -0.6352540E-02 Ec_ueg -0.1253377E-02 Delta_ex -0.7571599E-02 Delta_ec 0.2200796E-02 Delta_et -0.1997611E-01 Pxc 0.5068340E+01 Qxc -0.3440391E+01 3,+1 162 3 -1 2.938474 2.060903 -0.834765 Rho 0.1081298E+00 |GRAD(Rho)| 0.1043074E-13 GRAD(Rho)x -0.4242066E-14 GRAD(Rho)y 0.6308586E-14 GRAD(Rho)z 0.7141918E-14 Laplacian 0.4174531E+00 (-1/4)Del**2(Rho)) -0.1043633E+00 Diamond 0.5692002E+00 Metallicity 0.4051179E+01 Ellipticity 0.2234232E-01 Gb(Abramov) 0.1400412E+00 Vb(Abramov) -0.1757192E+00 Hb(Abramov) -0.3567796E-01 Ex_ueg -0.3804630E-01 Ec_ueg -0.5820107E-02 Delta_ex -0.4141311E-01 Delta_ec 0.1140369E-01 Delta_et -0.1437672E+00 Pxc 0.6537046E+01 Qxc -0.3631554E+01 3,-1 163 3 -1 1.747054 2.827441 0.577528 Rho 0.1566704E+00 |GRAD(Rho)| 0.2622029E-13 GRAD(Rho)x 0.1829971E-13 GRAD(Rho)y -0.1047641E-14 GRAD(Rho)z -0.1874905E-13 Laplacian 0.6534182E+00 (-1/4)Del**2(Rho)) -0.1633546E+00 Diamond 0.1365667E+01 Metallicity 0.4801758E+01 Ellipticity 0.3198652E-01 Gb(Abramov) 0.2396345E+00 Vb(Abramov) -0.3159145E+00 Hb(Abramov) -0.7627999E-01 Ex_ueg -0.6237843E-01 Ec_ueg -0.8871876E-02 Delta_ex -0.7065018E-01 Delta_ec 0.1590393E-01 Delta_et -0.2117461E+00 Pxc 0.7031030E+01 Qxc -0.4442308E+01 3,-1 164 3 +1 2.170381 1.410987 -1.070309 Rho 0.2728130E-01 |GRAD(Rho)| 0.4955690E-14 GRAD(Rho)x 0.1906574E-14 GRAD(Rho)y 0.3874851E-14 GRAD(Rho)z 0.2430920E-14 Laplacian 0.1095505E+00 (-1/4)Del**2(Rho)) -0.2738763E-01 Diamond 0.1624513E-01 Metallicity 0.1555155E+01 Ellipticity -0.3776801E+01 Gb(Abramov) 0.2535709E-01 Vb(Abramov) -0.2332655E-01 Hb(Abramov) 0.2030540E-02 Ex_ueg -0.6065573E-02 Ec_ueg -0.1204246E-02 Delta_ex -0.6983026E-02 Delta_ec 0.1873867E-02 Delta_et -0.1689299E-01 Pxc 0.5036822E+01 Qxc -0.3726532E+01 3,+1 165 3 -1 2.829625 -0.582844 -1.756801 Rho 0.1496656E+00 |GRAD(Rho)| 0.2273931E-15 GRAD(Rho)x -0.5139796E-16 GRAD(Rho)y -0.1701384E-15 GRAD(Rho)z 0.1418407E-15 Laplacian 0.6248141E+00 (-1/4)Del**2(Rho)) -0.1562035E+00 Diamond 0.1239950E+01 Metallicity 0.4652993E+01 Ellipticity 0.2742708E-01 Gb(Abramov) 0.2252713E+00 Vb(Abramov) -0.2943391E+00 Hb(Abramov) -0.6906781E-01 Ex_ueg -0.5868779E-01 Ec_ueg -0.8422112E-02 Delta_ex -0.6683409E-01 Delta_ec 0.1545422E-01 Delta_et -0.2047253E+00 Pxc 0.6968299E+01 Qxc -0.4324648E+01 3,-1 166 3 -1 0.541148 1.694893 -1.787302 Rho 0.4324727E-01 |GRAD(Rho)| 0.1107531E-14 GRAD(Rho)x 0.7167949E-15 GRAD(Rho)y 0.7942302E-15 GRAD(Rho)z 0.2864075E-15 Laplacian 0.1812893E+00 (-1/4)Del**2(Rho)) -0.4532232E-01 Diamond 0.7712996E-01 Metallicity 0.2025376E+01 Ellipticity 0.1510317E-01 Gb(Abramov) 0.4551400E-01 Vb(Abramov) -0.4570568E-01 Hb(Abramov) -0.1916810E-03 Ex_ueg -0.1121149E-01 Ec_ueg -0.2045157E-02 Delta_ex -0.1447775E-01 Delta_ec 0.5564328E-02 Delta_et -0.5649635E-01 Pxc 0.5481972E+01 Qxc -0.2601887E+01 3,-1 167 3 +1 2.911245 -0.187884 0.165648 Rho 0.5279859E-02 |GRAD(Rho)| 0.9756541E-16 GRAD(Rho)x 0.5881479E-17 GRAD(Rho)y -0.4941211E-16 GRAD(Rho)z 0.8392176E-16 Laplacian 0.2179553E-01 (-1/4)Del**2(Rho)) -0.5448883E-02 Diamond 0.5286801E-03 Metallicity 0.5061541E+00 Ellipticity -0.2670931E+01 Gb(Abramov) 0.4092251E-02 Vb(Abramov) -0.2735619E-02 Hb(Abramov) 0.1356632E-02 Ex_ueg -0.6790182E-03 Ec_ueg -0.1589761E-03 Delta_ex -0.1079423E-02 Delta_ec 0.6582529E-03 Delta_et -0.3645059E-02 Pxc 0.4271198E+01 Qxc -0.1639830E+01 3,+1 168 3 -1 3.045747 -0.879797 1.937340 Rho 0.1457152E+00 |GRAD(Rho)| 0.6698835E-14 GRAD(Rho)x -0.1728909E-14 GRAD(Rho)y 0.5251035E-14 GRAD(Rho)z 0.3783107E-14 Laplacian 0.5662866E+00 (-1/4)Del**2(Rho)) -0.1415716E+00 Diamond 0.1100870E+01 Metallicity 0.4910039E+01 Ellipticity 0.6286947E-01 Gb(Abramov) 0.2102348E+00 Vb(Abramov) -0.2788980E+00 Hb(Abramov) -0.6866316E-01 Ex_ueg -0.5663151E-01 Ec_ueg -0.8169790E-02 Delta_ex -0.6030583E-01 Delta_ec 0.1433365E-01 Delta_et -0.1897234E+00 Pxc 0.6931819E+01 Qxc -0.4207289E+01 3,-1 169 3 -1 3.119450 -3.295607 -0.056068 Rho 0.2412601E+00 |GRAD(Rho)| 0.3943125E-15 GRAD(Rho)x -0.1401331E-15 GRAD(Rho)y 0.3485710E-15 GRAD(Rho)z 0.1197637E-15 Laplacian 0.8628448E+00 (-1/4)Del**2(Rho)) -0.2157112E+00 Diamond 0.3084429E+01 Metallicity 0.7467174E+01 Ellipticity 0.7640086E-03 Gb(Abramov) 0.4122663E+00 Vb(Abramov) -0.6088214E+00 Hb(Abramov) -0.1965551E+00 Ex_ueg -0.1109257E+00 Ec_ueg -0.1452626E-01 Delta_ex -0.1044633E+00 Delta_ec 0.1915874E-01 Delta_et -0.2659946E+00 Pxc 0.7636220E+01 Qxc -0.5452510E+01 3,-1 170 3 -1 2.751168 -1.878596 -0.541010 Rho 0.1140848E+00 |GRAD(Rho)| 0.1667388E-13 GRAD(Rho)x -0.2614150E-14 GRAD(Rho)y -0.1307050E-13 GRAD(Rho)z 0.1001732E-13 Laplacian 0.4730298E+00 (-1/4)Del**2(Rho)) -0.1182574E+00 Diamond 0.6852388E+00 Metallicity 0.3909349E+01 Ellipticity 0.6658761E-02 Gb(Abramov) 0.1558899E+00 Vb(Abramov) -0.1935223E+00 Hb(Abramov) -0.3763245E-01 Ex_ueg -0.4086538E-01 Ec_ueg -0.6185889E-02 Delta_ex -0.4748538E-01 Delta_ec 0.1269445E-01 Delta_et -0.1615224E+00 Pxc 0.6606226E+01 Qxc -0.3740642E+01 3,-1 171 3 -1 2.964995 -2.063482 0.834551 Rho 0.1190281E+00 |GRAD(Rho)| 0.1906684E-15 GRAD(Rho)x -0.6781007E-16 GRAD(Rho)y -0.7366476E-16 GRAD(Rho)z -0.1622644E-15 Laplacian 0.4616857E+00 (-1/4)Del**2(Rho)) -0.1154214E+00 Diamond 0.7057539E+00 Metallicity 0.4298822E+01 Ellipticity 0.3187469E-01 Gb(Abramov) 0.1596436E+00 Vb(Abramov) -0.2038658E+00 Hb(Abramov) -0.4422221E-01 Ex_ueg -0.4324320E-01 Ec_ueg -0.6491478E-02 Delta_ex -0.4684323E-01 Delta_ec 0.1231534E-01 Delta_et -0.1579541E+00 Pxc 0.6661534E+01 Qxc -0.3803648E+01 3,-1 172 3 -1 2.725271 1.869996 0.538293 Rho 0.1096331E+00 |GRAD(Rho)| 0.1216955E-15 GRAD(Rho)x -0.2794531E-16 GRAD(Rho)y -0.1502298E-16 GRAD(Rho)z -0.1174869E-15 Laplacian 0.4513884E+00 (-1/4)Del**2(Rho)) -0.1128471E+00 Diamond 0.6243508E+00 Metallicity 0.3833824E+01 Ellipticity 0.1075180E-01 Gb(Abramov) 0.1473374E+00 Vb(Abramov) -0.1818277E+00 Hb(Abramov) -0.3449028E-01 Ex_ueg -0.3875317E-01 Ec_ueg -0.5912196E-02 Delta_ex -0.4490377E-01 Delta_ec 0.1225324E-01 Delta_et -0.1548215E+00 Pxc 0.6554784E+01 Qxc -0.3664644E+01 3,-1 173 3 -1 3.092872 3.292748 0.062418 Rho 0.2397113E+00 |GRAD(Rho)| 0.1970239E-12 GRAD(Rho)x -0.1394406E-12 GRAD(Rho)y -0.1339447E-12 GRAD(Rho)z -0.3786266E-13 Laplacian 0.8623919E+00 (-1/4)Del**2(Rho)) -0.2155980E+00 Diamond 0.3055375E+01 Metallicity 0.7391332E+01 Ellipticity 0.2963862E-02 Gb(Abramov) 0.4093247E+00 Vb(Abramov) -0.6030513E+00 Hb(Abramov) -0.1937267E+00 Ex_ueg -0.1099773E+00 Ec_ueg -0.1441916E-01 Delta_ex -0.1042137E+00 Delta_ec 0.1915064E-01 Delta_et -0.2656683E+00 Pxc 0.7627165E+01 Qxc -0.5441790E+01 3,-1 174 3 -1 3.296087 0.058535 3.100997 Rho 0.2405143E+00 |GRAD(Rho)| 0.9269445E-15 GRAD(Rho)x -0.5904023E-15 GRAD(Rho)y -0.2817706E-15 GRAD(Rho)z -0.6567013E-15 Laplacian 0.8607896E+00 (-1/4)Del**2(Rho)) -0.2151974E+00 Diamond 0.3065508E+01 Metallicity 0.7446481E+01 Ellipticity 0.2980808E-02 Gb(Abramov) 0.4105422E+00 Vb(Abramov) -0.6058870E+00 Hb(Abramov) -0.1953448E+00 Ex_ueg -0.1104688E+00 Ec_ueg -0.1447468E-01 Delta_ex -0.1041296E+00 Delta_ec 0.1912940E-01 Delta_et -0.2655522E+00 Pxc 0.7631868E+01 Qxc -0.5443431E+01 3,-1 175 3 -1 3.038901 0.871036 -1.942440 Rho 0.1532756E+00 |GRAD(Rho)| 0.8280232E-15 GRAD(Rho)x -0.4575333E-16 GRAD(Rho)y -0.6192827E-15 GRAD(Rho)z -0.5477389E-15 Laplacian 0.5942502E+00 (-1/4)Del**2(Rho)) -0.1485626E+00 Diamond 0.1226396E+01 Metallicity 0.5090557E+01 Ellipticity 0.7089015E-01 Gb(Abramov) 0.2250861E+00 Vb(Abramov) -0.3016096E+00 Hb(Abramov) -0.7652352E-01 Ex_ueg -0.6058275E-01 Ec_ueg -0.8653526E-02 Delta_ex -0.6406514E-01 Delta_ec 0.1483229E-01 Delta_et -0.1976424E+00 Pxc 0.7000932E+01 Qxc -0.4319301E+01 3,-1 176 3 -1 2.058149 -0.833608 2.942184 Rho 0.1160699E+00 |GRAD(Rho)| 0.4297865E-15 GRAD(Rho)x -0.1589779E-15 GRAD(Rho)y -0.3851560E-15 GRAD(Rho)z 0.1053438E-15 Laplacian 0.4504021E+00 (-1/4)Del**2(Rho)) -0.1126005E+00 Diamond 0.6666326E+00 Metallicity 0.4225504E+01 Ellipticity 0.2854722E-01 Gb(Abramov) 0.1543660E+00 Vb(Abramov) -0.1961315E+00 Hb(Abramov) -0.4176550E-01 Ex_ueg -0.4181618E-01 Ec_ueg -0.6308393E-02 Delta_ex -0.4540650E-01 Delta_ec 0.1205128E-01 Delta_et -0.1538308E+00 Pxc 0.6628658E+01 Qxc -0.3767774E+01 3,-1 177 3 -1 -1.771024 -2.812880 0.566442 Rho 0.1424194E+00 |GRAD(Rho)| 0.4987803E-15 GRAD(Rho)x 0.4296693E-15 GRAD(Rho)y 0.3883815E-16 GRAD(Rho)z 0.2503152E-15 Laplacian 0.5989370E+00 (-1/4)Del**2(Rho)) -0.1497343E+00 Diamond 0.1119832E+01 Metallicity 0.4468692E+01 Ellipticity 0.2264451E-01 Gb(Abramov) 0.2113422E+00 Vb(Abramov) -0.2729502E+00 Hb(Abramov) -0.6160796E-01 Ex_ueg -0.5493011E-01 Ec_ueg -0.7960024E-02 Delta_ex -0.6328820E-01 Delta_ec 0.1499909E-01 Delta_et -0.1973471E+00 Pxc 0.6900747E+01 Qxc -0.4219470E+01 3,-1 178 3 -1 -1.948790 -3.035526 -0.874490 Rho 0.1455335E+00 |GRAD(Rho)| 0.2755938E-13 GRAD(Rho)x -0.1637069E-13 GRAD(Rho)y 0.2421830E-14 GRAD(Rho)z 0.2203757E-13 Laplacian 0.5694188E+00 (-1/4)Del**2(Rho)) -0.1423547E+00 Diamond 0.1102609E+01 Metallicity 0.4872886E+01 Ellipticity 0.6310906E-01 Gb(Abramov) 0.2105162E+00 Vb(Abramov) -0.2786777E+00 Hb(Abramov) -0.6816147E-01 Ex_ueg -0.5653738E-01 Ec_ueg -0.8158209E-02 Delta_ex -0.6059291E-01 Delta_ec 0.1436753E-01 Delta_et -0.1900270E+00 Pxc 0.6930121E+01 Qxc -0.4217351E+01 3,-1 179 3 -1 -2.803297 0.569389 -1.744934 Rho 0.1591825E+00 |GRAD(Rho)| 0.1964569E-15 GRAD(Rho)x 0.6987005E-16 GRAD(Rho)y -0.1631182E-15 GRAD(Rho)z -0.8429672E-16 Laplacian 0.6673284E+00 (-1/4)Del**2(Rho)) -0.1668321E+00 Diamond 0.1441536E+01 Metallicity 0.4827985E+01 Ellipticity 0.1970513E-01 Gb(Abramov) 0.2454652E+00 Vb(Abramov) -0.3240983E+00 Hb(Abramov) -0.7863310E-01 Ex_ueg -0.6371557E-01 Ec_ueg -0.9033896E-02 Delta_ex -0.7262362E-01 Delta_ec 0.1650337E-01 Delta_et -0.2210001E+00 Pxc 0.7052945E+01 Qxc -0.4400532E+01 3,-1 180 3 -1 -0.531566 2.739473 -1.881966 Rho 0.1097857E+00 |GRAD(Rho)| 0.3167556E-15 GRAD(Rho)x 0.2675201E-15 GRAD(Rho)y 0.3903297E-16 GRAD(Rho)z -0.1650562E-15 Laplacian 0.4539941E+00 (-1/4)Del**2(Rho)) -0.1134985E+00 Diamond 0.6284531E+00 Metallicity 0.3820670E+01 Ellipticity 0.8359566E-02 Gb(Abramov) 0.1479391E+00 Vb(Abramov) -0.1823796E+00 Hb(Abramov) -0.3444055E-01 Ex_ueg -0.3882513E-01 Ec_ueg -0.5921557E-02 Delta_ex -0.4516945E-01 Delta_ec 0.1230511E-01 Delta_et -0.1554955E+00 Pxc 0.6556575E+01 Qxc -0.3670789E+01 3,-1 181 3 -1 0.878330 1.943576 -3.053363 Rho 0.1543338E+00 |GRAD(Rho)| 0.7537026E-13 GRAD(Rho)x 0.3512628E-13 GRAD(Rho)y -0.5921827E-13 GRAD(Rho)z 0.3065969E-13 Laplacian 0.6006150E+00 (-1/4)Del**2(Rho)) -0.1501538E+00 Diamond 0.1248868E+01 Metallicity 0.5094703E+01 Ellipticity 0.7247415E-01 Gb(Abramov) 0.2276006E+00 Vb(Abramov) -0.3050475E+00 Hb(Abramov) -0.7744688E-01 Ex_ueg -0.6114110E-01 Ec_ueg -0.8721516E-02 Delta_ex -0.6485243E-01 Delta_ec 0.1494898E-01 Delta_et -0.1993386E+00 Pxc 0.7010375E+01 Qxc -0.4338252E+01 3,-1 182 3 -1 2.821041 0.568078 1.753213 Rho 0.1513330E+00 |GRAD(Rho)| 0.3327305E-11 GRAD(Rho)x -0.5401956E-12 GRAD(Rho)y -0.2267957E-11 GRAD(Rho)z 0.2373924E-11 Laplacian 0.6313829E+00 (-1/4)Del**2(Rho)) -0.1578457E+00 Diamond 0.1266611E+01 Metallicity 0.4690398E+01 Ellipticity 0.2896581E-01 Gb(Abramov) 0.2286237E+00 Vb(Abramov) -0.2994017E+00 Hb(Abramov) -0.7077796E-01 Ex_ueg -0.5956116E-01 Ec_ueg -0.8528899E-02 Delta_ex -0.6769086E-01 Delta_ec 0.1551768E-01 Delta_et -0.2057335E+00 Pxc 0.6983453E+01 Qxc -0.4362176E+01 3,-1 183 3 -1 3.288891 -0.062986 -3.105099 Rho 0.2401341E+00 |GRAD(Rho)| 0.2614789E-12 GRAD(Rho)x -0.1792663E-12 GRAD(Rho)y 0.5076324E-13 GRAD(Rho)z 0.1834609E-12 Laplacian 0.8615300E+00 (-1/4)Del**2(Rho)) -0.2153825E+00 Diamond 0.3060788E+01 Metallicity 0.7420487E+01 Ellipticity 0.7150154E-03 Gb(Abramov) 0.4099622E+00 Vb(Abramov) -0.6045418E+00 Hb(Abramov) -0.1945797E+00 Ex_ueg -0.1102360E+00 Ec_ueg -0.1444838E-01 Delta_ex -0.1041680E+00 Delta_ec 0.1914039E-01 Delta_et -0.2656260E+00 Pxc 0.7629643E+01 Qxc -0.5442315E+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 80 81 115 114 108 144 125 124 117 133 143 116 107 126 166 132 180 181 146 139 131 104 137 112 118 138 160 170 127 171 159 169 157 172 163 162 109 173 58 70 102 68 97 57 54 74 177 73 178 69 80 179 87 56 79 64 94 82 84 67 93 63 153 182 154 168 176 174 156 165 152 175 155 183 148 119 141 121 60 149 105 140 123 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 18 22 25 26 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 20 24 27 28 2.368060 1.884015 1.978298 1.909553 2.003422 1.727353 2.380810 1.885774 1.972478 1.918778 1.993353 1.726361 2.408006 1.901598 2.014548 1.888588 2.008120 1.715776 2.404206 1.883021 2.033915 1.885653 2.017764 1.716841 2.412417 1.998628 1.907683 1.994206 1.905516 1.714788 2.391748 2.015456 1.870643 2.034253 1.903810 1.717175 2.394496 2.004854 1.881153 2.032634 1.901364 1.717107 2.424080 2.000944 1.907574 1.984922 1.911329 1.714478 2.376197 1.888915 1.979391 1.917801 1.984073 1.726639 2.404394 1.885656 2.007901 1.890644 2.031961 1.716642 2.412567 1.884384 2.012201 1.911626 2.004556 1.715987 2.402615 1.888518 2.007556 1.891914 2.029139 1.716544 1.698138 1.702591 1.694484 1.694155 3.261805 3.265857 3.264579 3.264818 3.267847 2.369809 1.884477 1.978672 1.910207 2.004092 1.727362 2.382537 1.886236 1.972851 1.919445 1.994025 1.726365 2.409914 1.902185 2.015187 1.889341 2.008951 1.715793 2.406124 1.883643 2.034392 1.886383 2.018639 1.716857 2.414052 1.999256 1.908273 1.995075 1.906312 1.714803 2.393567 2.016064 1.871246 2.035026 1.904585 1.717190 2.396332 2.005429 1.881748 2.033397 1.902163 1.717123 2.425625 2.001577 1.908169 1.985809 1.912123 1.714492 2.377896 1.889389 1.979760 1.918455 1.984745 1.726643 2.406318 1.886260 2.008473 1.891417 2.032720 1.716659 2.414140 1.885015 2.012794 1.912391 2.005438 1.716001 2.404520 1.889117 2.008130 1.892688 2.029894 1.716559 1.698140 1.702595 1.694486 1.694157 3.271321 3.274587 3.274277 3.274218 3.276362 31 27 27 29 27 24 30 28 27 27 27 23 27 28 25 25 27 23 31 28 27 26 28 24 31 24 27 26 26 21 32 26 27 28 26 23 31 28 27 28 28 25 29 27 25 27 25 23 30 26 27 27 27 23 30 26 27 26 28 23 30 25 28 24 26 24 30 27 28 27 27 23 22 24 22 24 35 35 35 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W W Mo Mo Mo Mo Mo Mo W 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 O As 2.4802 2.4995 2.3688 2.3707 2.3826 2.3721 2.3757 2.3977 2.4986 2.3740 2.3861 2.3759 -1.1377 -1.1410 -1.1318 -1.1316 -0.8945 -0.8954 -0.9237 -0.8942 -0.9241 -0.8949 -0.9132 -0.9239 -0.8952 -0.9143 -0.8909 -0.9128 -0.8813 -0.9140 -0.8772 -0.8778 -0.9133 -0.8756 -0.8768 -0.9444 -0.9020 -0.8800 -0.8978 -0.8800 -0.7429 -0.7415 -0.6617 -0.6651 -0.6596 -0.6654 -0.6655 -0.6605 -0.7421 -0.6645 -0.6636 -0.6637 2.4537 2.0900 2.0845 1.9176 1.9115 1.9257 1.9113 1.9156 1.9354 2.0826 1.9142 1.9174 1.9150 1.9374 1.9355 1.9393 1.9394 1.9443 1.9446 1.9394 1.9459 1.9396 1.9453 1.9411 1.9396 1.9453 1.9412 1.9471 1.9411 1.9529 1.9495 1.9558 1.9557 1.9511 1.9560 1.9559 1.9492 1.9520 1.9551 1.9540 1.9550 1.9741 1.9742 1.9855 1.9848 1.9859 1.9848 1.9849 1.9860 1.9741 1.9851 1.9853 1.9852 0.8069 6.0905 6.0849 6.0718 6.0693 6.0623 6.0687 6.0699 6.0496 6.0853 6.0704 6.0594 6.0696 5.1614 5.1666 5.1536 5.1531 4.9235 4.9241 4.9559 4.9219 4.9560 4.9229 4.9438 4.9556 4.9232 4.9453 4.9170 4.9436 4.8996 4.9337 4.8928 4.8934 4.9316 4.8907 4.8919 4.9625 4.9194 4.8964 4.9133 4.8962 4.7310 4.7292 4.6402 4.6444 4.6375 4.6448 4.6448 4.6382 4.7300 4.6435 4.6423 4.6425 1.1859 3.3105 3.3022 3.6418 3.6485 3.6294 3.6479 3.6387 3.6174 3.3045 3.6413 3.6371 3.6395 0.0390 0.0389 0.0390 0.0391 0.0267 0.0266 0.0285 0.0264 0.0286 0.0266 0.0282 0.0287 0.0266 0.0279 0.0268 0.0281 0.0288 0.0309 0.0285 0.0286 0.0306 0.0289 0.0290 0.0328 0.0305 0.0285 0.0305 0.0288 0.0379 0.0380 0.0361 0.0359 0.0362 0.0359 0.0358 0.0362 0.0380 0.0359 0.0360 0.0359 10.5535 14.0289 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W W Mo Mo Mo Mo Mo Mo W 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 O As 2.516215 2.517460 3.177991 3.175239 3.180067 3.175495 3.177384 3.179418 2.517828 3.177769 3.176598 3.177727 -1.177623 -1.139984 -1.217746 -1.217169 -1.163743 -1.163773 -1.037848 -1.159382 -1.035914 -1.161204 -1.061144 -1.035881 -1.162362 -1.060565 -1.155795 -1.059002 -1.125544 -1.011980 -1.116986 -1.118868 -1.005379 -1.118216 -1.119809 -0.910069 -1.027181 -1.121046 -1.024457 -1.122376 -0.766349 -0.764799 -0.924981 -0.928010 -0.923583 -0.928483 -0.929493 -0.925280 -0.765595 -0.928255 -0.927321 -0.927491 2.321497 1.968383 1.965401 2.390640 2.395509 2.387686 2.394887 2.388458 2.382770 1.965135 2.389183 2.390882 2.388834 -0.876036 -0.821487 -0.931192 -0.930535 -0.907413 -0.906667 -0.801775 -0.904958 -0.801015 -0.905533 -0.808440 -0.800300 -0.906359 -0.809590 -0.903971 -0.808143 -0.899612 -0.816863 -0.897453 -0.902011 -0.814341 -0.901631 -0.899648 -0.734139 -0.824650 -0.898254 -0.821567 -0.897021 -0.635078 -0.637573 -0.667965 -0.668472 -0.670928 -0.669401 -0.674039 -0.677646 -0.638953 -0.671998 -0.673161 -0.671382 1.679427 2.059054 2.057283 2.465401 2.469401 2.463761 2.468275 2.462426 2.460038 2.057262 2.463432 2.466785 2.463110 -0.890552 -0.852246 -0.929636 -0.928916 -0.981926 -0.981928 -0.880296 -0.981320 -0.879504 -0.984067 -0.890766 -0.878105 -0.981345 -0.891542 -0.979536 -0.889862 -0.932358 -0.848443 -0.934735 -0.941166 -0.852546 -0.940802 -0.937000 -0.769845 -0.857114 -0.936439 -0.858668 -0.935104 -0.598346 -0.603471 -0.625004 -0.626515 -0.630128 -0.627300 -0.632200 -0.640519 -0.605396 -0.629770 -0.633987 -0.629598 1.671770 1.12340460 1.19348004 0.57900182 1.73829675 3.46969074 0.29657242 -3.01480798 1.42644789 0.07667471 -4.89613863 -361.3318 413.8638 -142.6195 -344.8020 -10.3125 -445.2020 Jun12-2024 22:14:52 Nodes: 1 Procs: 1 Jun12-2024 22:14:54 Nodes: 1 Procs: 1 0 Jun12-2024 22:14:57 Nodes: 1 Procs: 1 Jun12-2024 22:14:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 22:15:01 Nodes: 1 Procs: 1 Jun12-2024 22:15:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 22:15:04 Nodes: 1 Procs: 1 Jun12-2024 22:15:06 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 22:15:10 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.28746224 -16.35469656 -16.35830015 -16.35988251 -16.36014321 -16.36056252 -16.36072401 -16.36076932 -16.36080034 -16.36081654 -16.36083212 -16.36084477 -16.36085965 -16.36087174 GEOMETRY CONVERGED