ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 19:40:54 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.47 0.09 3.99 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 Jun10-2024 19:40:54 Nodes: 1 Procs: 1 Jun10-2024 19:40:58 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 19:41:02 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.61 0.06 2.40 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 Jun10-2024 19:40:54 Nodes: 1 Procs: 1 Jun10-2024 19:40:58 Nodes: 1 Procs: 1 0 Jun10-2024 19:41:02 Nodes: 1 Procs: 1 Jun10-2024 19:41:05 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 19:41:08 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.44 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 Jun10-2024 19:40:54 Nodes: 1 Procs: 1 Jun10-2024 19:40:58 Nodes: 1 Procs: 1 0 Jun10-2024 19:41:02 Nodes: 1 Procs: 1 Jun10-2024 19:41:05 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 19:41:08 Nodes: 1 Procs: 1 Jun10-2024 19:41:10 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 19:41:13 Arsenic (TZP, 3p frozen) c2-44 c2-44 c2-44 c2-44 c2-44 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.07 3.89 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 Jun10-2024 19:40:54 Nodes: 1 Procs: 1 Jun10-2024 19:40:58 Nodes: 1 Procs: 1 0 Jun10-2024 19:41:02 Nodes: 1 Procs: 1 Jun10-2024 19:41:05 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 19:41:08 Nodes: 1 Procs: 1 Jun10-2024 19:41:10 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 19:41:13 Nodes: 1 Procs: 1 Jun10-2024 19:41:15 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 19:41:22 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2393.577600000001 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun10-2024 19:41:15 1 1 Tungsten TZP 4d t21.Mo ADF 2019.304 Jun10-2024 19:41:05 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun10-2024 19:41:10 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun10-2024 19:40:58 1 1 Arsenic TZP 3p 1 1 -16.47185793 0.17607386 0.00100000 F 0.04745646 0.00066667 F 0.17607386 0.04745646 0.06135416 0.01000000 F 0.02107145 0.00666667 F Cartesian 2393.577600000001 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3,-3 48 3 -3 -3.697123 -3.806368 0.206134 Rho 0.3194036E+03 3,-3 49 3 -3 -3.816554 0.213442 -3.697584 Rho 0.3195507E+03 3,-3 50 3 -3 -3.808063 -0.216864 3.699247 Rho 0.3195510E+03 3,-3 51 3 -3 3.816520 0.213547 3.697480 Rho 0.3195506E+03 3,-3 52 3 -3 3.808081 -0.217298 -3.699223 Rho 0.3195510E+03 3,-3 53 3 -3 -0.000001 0.004814 -0.000018 Rho 0.4276078E+05 3,-3 54 3 -1 -1.763413 -0.538667 -1.711662 Rho 0.4237323E-01 |GRAD(Rho)| 0.4918078E-16 GRAD(Rho)x -0.2292601E-16 GRAD(Rho)y 0.4077850E-16 GRAD(Rho)z -0.1517438E-16 Laplacian 0.1787641E+00 (-1/4)Del**2(Rho)) -0.4469103E-01 Diamond 0.7386003E-01 Metallicity 0.1985266E+01 Ellipticity 0.8146665E-02 Gb(Abramov) 0.4458129E-01 Vb(Abramov) -0.4447154E-01 Hb(Abramov) 0.1097447E-03 Ex_ueg -0.1091040E-01 Ec_ueg -0.1997847E-02 Delta_ex -0.1419802E-01 Delta_ec 0.5476608E-02 Delta_et -0.5529940E-01 Pxc 0.5461075E+01 Qxc -0.2592484E+01 3,-1 55 3 -1 -1.704715 -1.753260 -0.532886 Rho 0.4774222E-01 |GRAD(Rho)| 0.2965718E-13 GRAD(Rho)x 0.1615591E-13 GRAD(Rho)y -0.8030080E-15 GRAD(Rho)z -0.2485739E-13 Laplacian 0.1942077E+00 (-1/4)Del**2(Rho)) -0.4855192E-01 Diamond 0.9142748E-01 Metallicity 0.2229382E+01 Ellipticity 0.1434693E-01 Gb(Abramov) 0.5040808E-01 Vb(Abramov) -0.5226423E-01 Hb(Abramov) -0.1856157E-02 Ex_ueg -0.1279151E-01 Ec_ueg -0.2290458E-02 Delta_ex -0.1575401E-01 Delta_ec 0.5704495E-02 Delta_et -0.5940811E-01 Pxc 0.5584698E+01 Qxc -0.2761683E+01 3,-1 56 3 +1 -0.168853 2.893192 0.177236 Rho 0.5399380E-02 |GRAD(Rho)| 0.6264023E-14 GRAD(Rho)x -0.4930019E-14 GRAD(Rho)y 0.3343094E-15 GRAD(Rho)z 0.3849822E-14 Laplacian 0.2217656E-01 (-1/4)Del**2(Rho)) -0.5544139E-02 Diamond 0.5445956E-03 Metallicity 0.5163674E+00 Ellipticity -0.2650227E+01 Gb(Abramov) 0.4173228E-02 Vb(Abramov) -0.2802317E-02 Hb(Abramov) 0.1370911E-02 Ex_ueg -0.6995899E-03 Ec_ueg -0.1641400E-03 Delta_ex -0.1094974E-02 Delta_ec 0.6551380E-03 Delta_et -0.3658246E-02 Pxc 0.4262153E+01 Qxc -0.1671363E+01 3,+1 57 3 +1 -2.894863 -0.172740 -0.167349 Rho 0.5313604E-02 |GRAD(Rho)| 0.4478553E-14 GRAD(Rho)x -0.2464684E-15 GRAD(Rho)y -0.3044589E-14 GRAD(Rho)z -0.3275235E-14 Laplacian 0.2200176E-01 (-1/4)Del**2(Rho)) -0.5500440E-02 Diamond 0.5429792E-03 Metallicity 0.5067623E+00 Ellipticity -0.2824550E+01 Gb(Abramov) 0.4131529E-02 Vb(Abramov) -0.2762619E-02 Hb(Abramov) 0.1368911E-02 Ex_ueg -0.6848108E-03 Ec_ueg -0.1604333E-03 Delta_ex -0.1095035E-02 Delta_ec 0.6716716E-03 Delta_et -0.3723438E-02 Pxc 0.4268508E+01 Qxc -0.1630313E+01 3,+1 58 3 -1 -3.022653 -0.867657 -1.965791 Rho 0.1389893E+00 |GRAD(Rho)| 0.5272429E-13 GRAD(Rho)x -0.3903829E-13 GRAD(Rho)y 0.2683562E-13 GRAD(Rho)z -0.2314547E-13 Laplacian 0.5443040E+00 (-1/4)Del**2(Rho)) -0.1360760E+00 Diamond 0.9975373E+00 Metallicity 0.4721433E+01 Ellipticity 0.5710721E-01 Gb(Abramov) 0.1977963E+00 Vb(Abramov) -0.2595166E+00 Hb(Abramov) -0.6172029E-01 Ex_ueg -0.5317329E-01 Ec_ueg -0.7742440E-02 Delta_ex -0.5727443E-01 Delta_ec 0.1389480E-01 Delta_et -0.1825622E+00 Pxc 0.6867769E+01 Qxc -0.4122004E+01 3,-1 59 3 +1 -1.672038 -0.533904 0.535663 Rho 0.8700620E-02 |GRAD(Rho)| 0.1218409E-12 GRAD(Rho)x 0.1054896E-12 GRAD(Rho)y 0.4427272E-13 GRAD(Rho)z -0.4191762E-13 Laplacian 0.3377980E-01 (-1/4)Del**2(Rho)) -0.8444949E-02 Diamond 0.9232635E-03 Metallicity 0.7508269E+00 Ellipticity -0.1462029E+01 Gb(Abramov) 0.6686749E-02 Vb(Abramov) -0.4928548E-02 Hb(Abramov) 0.1758201E-02 Ex_ueg -0.1321657E-02 Ec_ueg -0.3094844E-03 Delta_ex -0.1549887E-02 Delta_ec 0.4791595E-03 Delta_et -0.3281746E-02 Pxc 0.4270512E+01 Qxc -0.3234595E+01 3,+1 60 3 +1 -2.175005 -1.129235 -1.328996 Rho 0.2777039E-01 |GRAD(Rho)| 0.3625241E-14 GRAD(Rho)x -0.2251109E-14 GRAD(Rho)y 0.8980563E-15 GRAD(Rho)z 0.2695992E-14 Laplacian 0.1126088E+00 (-1/4)Del**2(Rho)) -0.2815220E-01 Diamond 0.1781011E-01 Metallicity 0.1558395E+01 Ellipticity -0.5056088E+01 Gb(Abramov) 0.2608017E-01 Vb(Abramov) -0.2400815E-01 Hb(Abramov) 0.2072025E-02 Ex_ueg -0.6210993E-02 Ec_ueg -0.1229186E-02 Delta_ex -0.7278153E-02 Delta_ec 0.2043783E-02 Delta_et -0.1848608E-01 Pxc 0.5052933E+01 Qxc -0.3561119E+01 3,+1 61 3 +1 -1.749142 -1.735723 1.742940 Rho 0.1216709E-01 |GRAD(Rho)| 0.2284999E-15 GRAD(Rho)x 0.1614268E-15 GRAD(Rho)y -0.2040709E-16 GRAD(Rho)z 0.1604280E-15 Laplacian 0.6134527E-01 (-1/4)Del**2(Rho)) -0.1533632E-01 Diamond 0.2500703E-02 Metallicity 0.7230087E+00 Ellipticity -0.1246827E+01 Gb(Abramov) 0.1207226E-01 Vb(Abramov) -0.8808203E-02 Hb(Abramov) 0.3264057E-02 Ex_ueg -0.2066812E-02 Ec_ueg -0.4672882E-03 Delta_ex -0.3025145E-02 Delta_ec 0.7939924E-03 Delta_et -0.5975507E-02 Pxc 0.4422992E+01 Qxc -0.3810043E+01 3,+1 62 3 +3 -1.099891 1.102393 -1.137979 Rho 0.5165990E-02 |GRAD(Rho)| 0.5323692E-17 GRAD(Rho)x -0.4943911E-17 GRAD(Rho)y 0.1729544E-17 GRAD(Rho)z 0.9529534E-18 Laplacian 0.2000829E-01 (-1/4)Del**2(Rho)) -0.5002072E-02 Diamond 0.1454370E-03 Metallicity 0.5316908E+00 Ellipticity -0.4752965E-01 Gb(Abramov) 0.3777974E-02 Vb(Abramov) -0.2553876E-02 Hb(Abramov) 0.1224098E-02 Ex_ueg -0.6595633E-03 Ec_ueg -0.1540630E-03 Delta_ex -0.6969687E-03 Delta_ec 0.8705461E-04 Delta_et -0.6961496E-03 Pxc 0.4281127E+01 Qxc -0.8006109E+01 3,+3 63 3 -1 -3.133632 3.251996 -0.058920 Rho 0.2513178E+00 |GRAD(Rho)| 0.4492277E-15 GRAD(Rho)x 0.2363561E-16 GRAD(Rho)y -0.4453903E-15 GRAD(Rho)z 0.5361380E-16 Laplacian 0.9191435E+00 (-1/4)Del**2(Rho)) -0.2297859E+00 Diamond 0.3420673E+01 Metallicity 0.7503583E+01 Ellipticity 0.1963273E-02 Gb(Abramov) 0.4405602E+00 Vb(Abramov) -0.6513345E+00 Hb(Abramov) -0.2107743E+00 Ex_ueg -0.1171340E+00 Ec_ueg -0.1522499E-01 Delta_ex -0.1123218E+00 Delta_ec 0.1988747E-01 Delta_et -0.2751795E+00 Pxc 0.7693533E+01 Qxc -0.5647866E+01 3,-1 64 3 +1 -0.518705 1.669038 -0.546469 Rho 0.8918749E-02 |GRAD(Rho)| 0.9467612E-17 GRAD(Rho)x 0.2851033E-17 GRAD(Rho)y -0.9025811E-17 GRAD(Rho)z -0.2049754E-18 Laplacian 0.3452291E-01 (-1/4)Del**2(Rho)) -0.8630727E-02 Diamond 0.9736790E-03 Metallicity 0.7656185E+00 Ellipticity -0.1473496E+01 Gb(Abramov) 0.6855125E-02 Vb(Abramov) -0.5079524E-02 Hb(Abramov) 0.1775602E-02 Ex_ueg -0.1366020E-02 Ec_ueg -0.3192643E-03 Delta_ex -0.1592968E-02 Delta_ec 0.4879466E-03 Delta_et -0.3364682E-02 Pxc 0.4278649E+01 Qxc -0.3264637E+01 3,+1 65 3 -1 -2.899529 -0.016571 -0.010719 Rho 0.5344345E-02 |GRAD(Rho)| 0.4778485E-17 GRAD(Rho)x -0.3758493E-18 GRAD(Rho)y -0.2588639E-17 GRAD(Rho)z 0.3998950E-17 Laplacian 0.2151250E-01 (-1/4)Del**2(Rho)) -0.5378126E-02 Diamond 0.6374007E-03 Metallicity 0.5232947E+00 Ellipticity 0.2793019E+01 Gb(Abramov) 0.4054475E-02 Vb(Abramov) -0.2730824E-02 Hb(Abramov) 0.1323651E-02 Ex_ueg -0.6900984E-03 Ec_ueg -0.1617613E-03 Delta_ex -0.1158872E-02 Delta_ec 0.8120151E-03 Delta_et -0.4444964E-02 Pxc 0.4266152E+01 Qxc -0.1427156E+01 3,-1 66 3 +1 -2.893986 0.168534 0.174535 Rho 0.5296137E-02 |GRAD(Rho)| 0.4900531E-13 GRAD(Rho)x 0.6437480E-14 GRAD(Rho)y -0.4857653E-13 GRAD(Rho)z 0.6326451E-15 Laplacian 0.2195425E-01 (-1/4)Del**2(Rho)) -0.5488563E-02 Diamond 0.5263893E-03 Metallicity 0.5050797E+00 Ellipticity -0.2497901E+01 Gb(Abramov) 0.4121069E-02 Vb(Abramov) -0.2753575E-02 Hb(Abramov) 0.1367494E-02 Ex_ueg -0.6818111E-03 Ec_ueg -0.1596790E-03 Delta_ex -0.1080763E-02 Delta_ec 0.6502249E-03 Delta_et -0.3609284E-02 Pxc 0.4269886E+01 Qxc -0.1662137E+01 3,+1 67 3 -1 -2.807605 -0.573798 1.780100 Rho 0.1374596E+00 |GRAD(Rho)| 0.6939603E-14 GRAD(Rho)x 0.1090545E-14 GRAD(Rho)y 0.4278384E-14 GRAD(Rho)z 0.5353899E-14 Laplacian 0.5794234E+00 (-1/4)Del**2(Rho)) -0.1448559E+00 Diamond 0.1040795E+01 Metallicity 0.4354205E+01 Ellipticity 0.1846149E-01 Gb(Abramov) 0.2016926E+00 Vb(Abramov) -0.2585293E+00 Hb(Abramov) -0.5683673E-01 Ex_ueg -0.5239443E-01 Ec_ueg -0.7645646E-02 Delta_ex -0.6072637E-01 Delta_ec 0.1468986E-01 Delta_et -0.1923981E+00 Pxc 0.6852846E+01 Qxc -0.4133896E+01 3,-1 68 3 -1 -3.254529 -0.066018 3.146087 Rho 0.2417497E+00 |GRAD(Rho)| 0.3024547E-15 GRAD(Rho)x 0.3019503E-15 GRAD(Rho)y -0.1436568E-17 GRAD(Rho)z -0.1740144E-16 Laplacian 0.8638775E+00 (-1/4)Del**2(Rho)) -0.2159694E+00 Diamond 0.3096554E+01 Metallicity 0.7483491E+01 Ellipticity 0.3002857E-03 Gb(Abramov) 0.4133470E+00 Vb(Abramov) -0.6107247E+00 Hb(Abramov) -0.1973777E+00 Ex_ueg -0.1112260E+00 Ec_ueg -0.1456015E-01 Delta_ex -0.1046483E+00 Delta_ec 0.1917852E-01 Delta_et -0.2663252E+00 Pxc 0.7639070E+01 Qxc -0.5456540E+01 3,-1 69 3 -1 -3.260766 0.062786 -3.146949 Rho 0.2419696E+00 |GRAD(Rho)| 0.1248799E-14 GRAD(Rho)x 0.7659888E-15 GRAD(Rho)y -0.2028000E-15 GRAD(Rho)z 0.9652110E-15 Laplacian 0.8623831E+00 (-1/4)Del**2(Rho)) -0.2155958E+00 Diamond 0.3096061E+01 Metallicity 0.7507825E+01 Ellipticity 0.1677219E-02 Gb(Abramov) 0.4135064E+00 Vb(Abramov) -0.6114171E+00 Hb(Abramov) -0.1979106E+00 Ex_ueg -0.1113609E+00 Ec_ueg -0.1457537E-01 Delta_ex -0.1044999E+00 Delta_ec 0.1915410E-01 Delta_et -0.2660562E+00 Pxc 0.7640348E+01 Qxc -0.5455748E+01 3,-1 70 3 -1 -2.799612 0.565328 -1.782926 Rho 0.1413204E+00 |GRAD(Rho)| 0.4492001E-15 GRAD(Rho)x 0.2059984E-17 GRAD(Rho)y -0.2947404E-15 GRAD(Rho)z -0.3389758E-15 Laplacian 0.5951949E+00 (-1/4)Del**2(Rho)) -0.1487987E+00 Diamond 0.1102678E+01 Metallicity 0.4439105E+01 Ellipticity 0.2137948E-01 Gb(Abramov) 0.2092880E+00 Vb(Abramov) -0.2697773E+00 Hb(Abramov) -0.6048927E-01 Ex_ueg -0.5436568E-01 Ec_ueg -0.7890230E-02 Delta_ex -0.6277499E-01 Delta_ec 0.1493684E-01 Delta_et -0.1963177E+00 Pxc 0.6890253E+01 Qxc -0.4202695E+01 3,-1 71 3 +1 -0.540040 0.533411 -1.673640 Rho 0.8456912E-02 |GRAD(Rho)| 0.2394552E-13 GRAD(Rho)x -0.6611943E-14 GRAD(Rho)y -0.2057744E-13 GRAD(Rho)z 0.1030725E-13 Laplacian 0.3261934E-01 (-1/4)Del**2(Rho)) -0.8154834E-02 Diamond 0.8740052E-03 Metallicity 0.7415795E+00 Ellipticity -0.1479587E+01 Gb(Abramov) 0.6444465E-02 Vb(Abramov) -0.4734097E-02 Hb(Abramov) 0.1710368E-02 Ex_ueg -0.1272528E-02 Ec_ueg -0.2985825E-03 Delta_ex -0.1493452E-02 Delta_ec 0.4761203E-03 Delta_et -0.3226271E-02 Pxc 0.4261898E+01 Qxc -0.3136712E+01 3,+1 72 3 +1 -1.738474 1.740875 -1.756153 Rho 0.1198715E-01 |GRAD(Rho)| 0.1379892E-11 GRAD(Rho)x 0.1203379E-11 GRAD(Rho)y 0.6685442E-12 GRAD(Rho)z -0.9501938E-13 Laplacian 0.6024211E-01 (-1/4)Del**2(Rho)) -0.1506053E-01 Diamond 0.2413010E-02 Metallicity 0.7181903E+00 Ellipticity -0.1246748E+01 Gb(Abramov) 0.1184307E-01 Vb(Abramov) -0.8625618E-02 Hb(Abramov) 0.3217455E-02 Ex_ueg -0.2026156E-02 Ec_ueg -0.4589758E-03 Delta_ex -0.2961093E-02 Delta_ec 0.7833074E-03 Delta_et -0.5870911E-02 Pxc 0.4414517E+01 Qxc -0.3780244E+01 3,+1 73 3 -1 -3.017615 0.860314 1.962319 Rho 0.1420354E+00 |GRAD(Rho)| 0.1421750E-14 GRAD(Rho)x -0.2620110E-15 GRAD(Rho)y -0.7815742E-15 GRAD(Rho)z 0.1158389E-14 Laplacian 0.5558502E+00 (-1/4)Del**2(Rho)) -0.1389625E+00 Diamond 0.1045702E+01 Metallicity 0.4793466E+01 Ellipticity 0.6163593E-01 Gb(Abramov) 0.2036604E+00 Vb(Abramov) -0.2683582E+00 Hb(Abramov) -0.6469785E-01 Ex_ueg -0.5473273E-01 Ec_ueg -0.7935629E-02 Delta_ex -0.5880134E-01 Delta_ec 0.1411671E-01 Delta_et -0.1860755E+00 Pxc 0.6897088E+01 Qxc -0.4165372E+01 3,-1 74 3 +1 -2.176174 1.127737 1.320942 Rho 0.2845524E-01 |GRAD(Rho)| 0.1145706E-11 GRAD(Rho)x -0.2309998E-12 GRAD(Rho)y 0.8775535E-12 GRAD(Rho)z -0.6994146E-12 Laplacian 0.1165812E+00 (-1/4)Del**2(Rho)) -0.2914531E-01 Diamond 0.1933013E-01 Metallicity 0.1567671E+01 Ellipticity -0.5746178E+01 Gb(Abramov) 0.2704525E-01 Vb(Abramov) -0.2494518E-01 Hb(Abramov) 0.2100061E-02 Ex_ueg -0.6416054E-02 Ec_ueg -0.1264205E-02 Delta_ex -0.7608005E-02 Delta_ec 0.2158828E-02 Delta_et -0.1963853E-01 Pxc 0.5075168E+01 Qxc -0.3524136E+01 3,+1 75 3 -1 -3.151956 -3.252298 0.060623 Rho 0.2524971E+00 |GRAD(Rho)| 0.1480886E-13 GRAD(Rho)x -0.1251310E-13 GRAD(Rho)y 0.7666394E-14 GRAD(Rho)z -0.1987749E-14 Laplacian 0.9196443E+00 (-1/4)Del**2(Rho)) -0.2299111E+00 Diamond 0.3443179E+01 Metallicity 0.7558239E+01 Ellipticity 0.1396774E-02 Gb(Abramov) 0.4428945E+00 Vb(Abramov) -0.6558780E+00 Hb(Abramov) -0.2129835E+00 Ex_ueg -0.1178674E+00 Ec_ueg -0.1530728E-01 Delta_ex -0.1125278E+00 Delta_ec 0.1988142E-01 Delta_et -0.2751726E+00 Pxc 0.7700088E+01 Qxc -0.5659947E+01 3,-1 76 3 -1 -2.739420 1.834926 -0.549474 Rho 0.1280120E+00 |GRAD(Rho)| 0.2617596E-15 GRAD(Rho)x -0.2974102E-16 GRAD(Rho)y -0.2017700E-15 GRAD(Rho)z -0.1640804E-15 Laplacian 0.5356274E+00 (-1/4)Del**2(Rho)) -0.1339069E+00 Diamond 0.9012539E+00 Metallicity 0.4183132E+01 Ellipticity 0.1379447E-01 Gb(Abramov) 0.1826296E+00 Vb(Abramov) -0.2313523E+00 Hb(Abramov) -0.4872273E-01 Ex_ueg -0.4764888E-01 Ec_ueg -0.7051205E-02 Delta_ex -0.5539545E-01 Delta_ec 0.1421197E-01 Delta_et -0.1848411E+00 Pxc 0.6757552E+01 Qxc -0.3897803E+01 3,-1 77 3 -1 -1.766133 0.533438 1.707146 Rho 0.4328460E-01 |GRAD(Rho)| 0.2299279E-16 GRAD(Rho)x 0.3594808E-17 GRAD(Rho)y -0.2041244E-17 GRAD(Rho)z -0.2261811E-16 Laplacian 0.1827353E+00 (-1/4)Del**2(Rho)) -0.4568383E-01 Diamond 0.7783720E-01 Metallicity 0.2012240E+01 Ellipticity 0.1638168E-01 Gb(Abramov) 0.4577702E-01 Vb(Abramov) -0.4587022E-01 Hb(Abramov) -0.9319377E-04 Ex_ueg -0.1122440E-01 Ec_ueg -0.2047180E-02 Delta_ex -0.1459639E-01 Delta_ec 0.5608754E-02 Delta_et -0.5696064E-01 Pxc 0.5482857E+01 Qxc -0.2602431E+01 3,-1 78 3 -1 -2.959283 2.022324 0.844062 Rho 0.1285122E+00 |GRAD(Rho)| 0.2096665E-15 GRAD(Rho)x 0.2547875E-17 GRAD(Rho)y 0.1053167E-15 GRAD(Rho)z -0.1812786E-15 Laplacian 0.5034200E+00 (-1/4)Del**2(Rho)) -0.1258550E+00 Diamond 0.8530945E+00 Metallicity 0.4479781E+01 Ellipticity 0.2349462E-01 Gb(Abramov) 0.1778705E+00 Vb(Abramov) -0.2298860E+00 Hb(Abramov) -0.5201547E-01 Ex_ueg -0.4789730E-01 Ec_ueg -0.7082531E-02 Delta_ex -0.5213847E-01 Delta_ec 0.1338994E-01 Delta_et -0.1743440E+00 Pxc 0.6762738E+01 Qxc -0.3893855E+01 3,-1 79 3 -1 -2.975183 -2.025277 -0.846186 Rho 0.1337511E+00 |GRAD(Rho)| 0.4819385E-15 GRAD(Rho)x 0.1911313E-15 GRAD(Rho)y -0.2212586E-15 GRAD(Rho)z 0.3831164E-15 Laplacian 0.5250117E+00 (-1/4)Del**2(Rho)) -0.1312529E+00 Diamond 0.9327295E+00 Metallicity 0.4591342E+01 Ellipticity 0.2751716E-01 Gb(Abramov) 0.1879398E+00 Vb(Abramov) -0.2446267E+00 Hb(Abramov) -0.5668688E-01 Ex_ueg -0.5051823E-01 Ec_ueg -0.7411610E-02 Delta_ex -0.5489228E-01 Delta_ec 0.1381717E-01 Delta_et -0.1810544E+00 Pxc 0.6816094E+01 Qxc -0.3972758E+01 3,-1 80 3 -1 -2.761042 -1.838754 0.550958 Rho 0.1347792E+00 |GRAD(Rho)| 0.1347846E-13 GRAD(Rho)x 0.2314202E-14 GRAD(Rho)y -0.1014965E-13 GRAD(Rho)z -0.8561416E-14 Laplacian 0.5642981E+00 (-1/4)Del**2(Rho)) -0.1410745E+00 Diamond 0.1008708E+01 Metallicity 0.4326558E+01 Ellipticity 0.1124053E-01 Gb(Abramov) 0.1957775E+00 Vb(Abramov) -0.2504805E+00 Hb(Abramov) -0.5470301E-01 Ex_ueg -0.5103664E-01 Ec_ueg -0.7476401E-02 Delta_ex -0.5907372E-01 Delta_ec 0.1476060E-01 Delta_et -0.1935292E+00 Pxc 0.6826365E+01 Qxc -0.4002121E+01 3,-1 81 3 +1 0.540093 0.533488 1.673642 Rho 0.8455547E-02 |GRAD(Rho)| 0.1166457E-13 GRAD(Rho)x -0.3210333E-14 GRAD(Rho)y -0.7802478E-14 GRAD(Rho)z -0.8054639E-14 Laplacian 0.3261331E-01 (-1/4)Del**2(Rho)) -0.8153327E-02 Diamond 0.8736643E-03 Metallicity 0.7415171E+00 Ellipticity -0.1479561E+01 Gb(Abramov) 0.6443190E-02 Vb(Abramov) -0.4733053E-02 Hb(Abramov) 0.1710137E-02 Ex_ueg -0.1272254E-02 Ec_ueg -0.2985215E-03 Delta_ex -0.1493122E-02 Delta_ec 0.4760428E-03 Delta_et -0.3225602E-02 Pxc 0.4261852E+01 Qxc -0.3136528E+01 3,+1 82 3 +3 -2.327713 -0.010938 -0.000633 Rho 0.4661074E-02 |GRAD(Rho)| 0.1291959E-15 GRAD(Rho)x 0.9988953E-16 GRAD(Rho)y 0.6685512E-16 GRAD(Rho)z 0.4737134E-16 Laplacian 0.1909956E-01 (-1/4)Del**2(Rho)) -0.4774890E-02 Diamond 0.1766527E-03 Metallicity 0.4692451E+00 Ellipticity -0.3122429E+00 Gb(Abramov) 0.3556692E-02 Vb(Abramov) -0.2338495E-02 Hb(Abramov) 0.1218198E-02 Ex_ueg -0.5750421E-03 Ec_ueg -0.1323567E-03 Delta_ex -0.7037563E-03 Delta_ec 0.1851621E-03 Delta_et -0.1154092E-02 Pxc 0.4344640E+01 Qxc -0.3800757E+01 3,+3 83 3 -1 -1.959794 -3.013073 -0.868858 Rho 0.1488288E+00 |GRAD(Rho)| 0.1443995E-11 GRAD(Rho)x 0.7734952E-12 GRAD(Rho)y -0.5829917E-12 GRAD(Rho)z -0.1070957E-11 Laplacian 0.5869721E+00 (-1/4)Del**2(Rho)) -0.1467430E+00 Diamond 0.1180940E+01 Metallicity 0.4906899E+01 Ellipticity 0.4496071E-01 Gb(Abramov) 0.2178375E+00 Vb(Abramov) -0.2889321E+00 Hb(Abramov) -0.7109453E-01 Ex_ueg -0.5825066E-01 Ec_ueg -0.8368580E-02 Delta_ex -0.6294003E-01 Delta_ec 0.1496834E-01 Delta_et -0.1991460E+00 Pxc 0.6960639E+01 Qxc -0.4204878E+01 3,-1 84 3 -1 -1.774927 -2.795390 0.570268 Rho 0.1493677E+00 |GRAD(Rho)| 0.1556897E-11 GRAD(Rho)x 0.1117532E-11 GRAD(Rho)y -0.3159683E-12 GRAD(Rho)z 0.1036926E-11 Laplacian 0.6305534E+00 (-1/4)Del**2(Rho)) -0.1576384E+00 Diamond 0.1267495E+01 Metallicity 0.4595354E+01 Ellipticity 0.1263826E-01 Gb(Abramov) 0.2258262E+00 Vb(Abramov) -0.2940141E+00 Hb(Abramov) -0.6818788E-01 Ex_ueg -0.5853207E-01 Ec_ueg -0.8403048E-02 Delta_ex -0.6760662E-01 Delta_ec 0.1594645E-01 Delta_et -0.2119957E+00 Pxc 0.6965576E+01 Qxc -0.4239603E+01 3,-1 85 3 +1 -0.163081 -2.886187 -0.165667 Rho 0.5475935E-02 |GRAD(Rho)| 0.4338290E-16 GRAD(Rho)x -0.2698875E-16 GRAD(Rho)y -0.1438397E-17 GRAD(Rho)z -0.3393545E-16 Laplacian 0.2256812E-01 (-1/4)Del**2(Rho)) -0.5642031E-02 Diamond 0.5694037E-03 Metallicity 0.5194553E+00 Ellipticity -0.2796385E+01 Gb(Abramov) 0.4249818E-02 Vb(Abramov) -0.2857604E-02 Hb(Abramov) 0.1392213E-02 Ex_ueg -0.7128466E-03 Ec_ueg -0.1674514E-03 Delta_ex -0.1121222E-02 Delta_ec 0.6734501E-03 Delta_et -0.3773422E-02 Pxc 0.4257037E+01 Qxc -0.1664892E+01 3,+1 86 3 +3 1.099850 1.102457 1.137951 Rho 0.5165635E-02 |GRAD(Rho)| 0.3511241E-17 GRAD(Rho)x -0.2154352E-17 GRAD(Rho)y 0.1585707E-17 GRAD(Rho)z 0.2274447E-17 Laplacian 0.2000651E-01 (-1/4)Del**2(Rho)) -0.5001627E-02 Diamond 0.1454138E-03 Metallicity 0.5316772E+00 Ellipticity -0.4746794E-01 Gb(Abramov) 0.3777627E-02 Vb(Abramov) -0.2553626E-02 Hb(Abramov) 0.1224001E-02 Ex_ueg -0.6595029E-03 Ec_ueg -0.1540477E-03 Delta_ex -0.6968965E-03 Delta_ec 0.8705243E-04 Delta_et -0.6961079E-03 Pxc 0.4281160E+01 Qxc -0.8005480E+01 3,+3 87 3 +1 1.749014 -1.735811 -1.742879 Rho 0.1216684E-01 |GRAD(Rho)| 0.1246424E-16 GRAD(Rho)x -0.1156920E-16 GRAD(Rho)y -0.9772520E-18 GRAD(Rho)z -0.4533860E-17 Laplacian 0.6134354E-01 (-1/4)Del**2(Rho)) -0.1533589E-01 Diamond 0.2500574E-02 Metallicity 0.7230037E+00 Ellipticity -0.1246853E+01 Gb(Abramov) 0.1207191E-01 Vb(Abramov) -0.8807929E-02 Hb(Abramov) 0.3263978E-02 Ex_ueg -0.2066754E-02 Ec_ueg -0.4672763E-03 Delta_ex -0.3025047E-02 Delta_ec 0.7939766E-03 Delta_et -0.5975353E-02 Pxc 0.4422980E+01 Qxc -0.3809995E+01 3,+1 88 3 +1 -1.179207 -2.174676 -1.276165 Rho 0.2942996E-01 |GRAD(Rho)| 0.2570172E-16 GRAD(Rho)x -0.9535029E-17 GRAD(Rho)y -0.2134702E-16 GRAD(Rho)z -0.1067552E-16 Laplacian 0.1208088E+00 (-1/4)Del**2(Rho)) -0.3020219E-01 Diamond 0.2129428E-01 Metallicity 0.1600163E+01 Ellipticity -0.7814763E+01 Gb(Abramov) 0.2818953E-01 Vb(Abramov) -0.2617687E-01 Hb(Abramov) 0.2012659E-02 Ex_ueg -0.6710754E-02 Ec_ueg -0.1314242E-02 Delta_ex -0.7982216E-02 Delta_ec 0.2285988E-02 Delta_et -0.2096370E-01 Pxc 0.5106180E+01 Qxc -0.3491801E+01 3,+1 89 3 -1 2.899499 -0.016722 0.010737 Rho 0.5345174E-02 |GRAD(Rho)| 0.3151117E-15 GRAD(Rho)x -0.2654388E-15 GRAD(Rho)y -0.1197639E-15 GRAD(Rho)z 0.1203919E-15 Laplacian 0.2151588E-01 (-1/4)Del**2(Rho)) -0.5378969E-02 Diamond 0.6376508E-03 Metallicity 0.5233479E+00 Ellipticity 0.2790227E+01 Gb(Abramov) 0.4055158E-02 Vb(Abramov) -0.2731347E-02 Hb(Abramov) 0.1323811E-02 Ex_ueg -0.6902411E-03 Ec_ueg -0.1617971E-03 Delta_ex -0.1159102E-02 Delta_ec 0.8121688E-03 Delta_et -0.4446006E-02 Pxc 0.4266090E+01 Qxc -0.1427168E+01 3,-1 90 3 -1 -1.695828 1.753114 0.531517 Rho 0.4950636E-01 |GRAD(Rho)| 0.4549432E-13 GRAD(Rho)x -0.2863331E-13 GRAD(Rho)y 0.3204470E-13 GRAD(Rho)z -0.1493329E-13 Laplacian 0.2021132E+00 (-1/4)Del**2(Rho)) -0.5052831E-01 Diamond 0.1002997E+00 Metallicity 0.2275726E+01 Ellipticity 0.1303762E-01 Gb(Abramov) 0.5285031E-01 Vb(Abramov) -0.5517230E-01 Hb(Abramov) -0.2321995E-02 Ex_ueg -0.1342558E-01 Ec_ueg -0.2387605E-02 Delta_ex -0.1656069E-01 Delta_ec 0.5961458E-02 Delta_et -0.6268273E-01 Pxc 0.5623031E+01 Qxc -0.2777960E+01 3,-1 91 3 +3 0.000051 2.328352 0.000010 Rho 0.4750172E-02 |GRAD(Rho)| 0.1927388E-17 GRAD(Rho)x 0.1527390E-17 GRAD(Rho)y -0.1636173E-18 GRAD(Rho)z 0.1164102E-17 Laplacian 0.1929193E-01 (-1/4)Del**2(Rho)) -0.4822984E-02 Diamond 0.1803570E-03 Metallicity 0.4794606E+00 Ellipticity -0.3177468E+00 Gb(Abramov) 0.3600728E-02 Vb(Abramov) -0.2378471E-02 Hb(Abramov) 0.1222256E-02 Ex_ueg -0.5897448E-03 Ec_ueg -0.1361776E-03 Delta_ex -0.7115716E-03 Delta_ec 0.1821989E-03 Delta_et -0.1147230E-02 Pxc 0.4330705E+01 Qxc -0.3905467E+01 3,+3 92 3 -1 -1.950147 3.019239 0.874000 Rho 0.1547185E+00 |GRAD(Rho)| 0.3117791E-15 GRAD(Rho)x 0.6113545E-16 GRAD(Rho)y -0.4598372E-16 GRAD(Rho)z 0.3022485E-15 Laplacian 0.6073043E+00 (-1/4)Del**2(Rho)) -0.1518261E+00 Diamond 0.1281096E+01 Metallicity 0.5059533E+01 Ellipticity 0.5179793E-01 Gb(Abramov) 0.2292456E+00 Vb(Abramov) -0.3066650E+00 Hb(Abramov) -0.7741948E-01 Ex_ueg -0.6134436E-01 Ec_ueg -0.8746245E-02 Delta_ex -0.6575407E-01 Delta_ec 0.1535408E-01 Delta_et -0.2054130E+00 Pxc 0.7013793E+01 Qxc -0.4282513E+01 3,-1 93 3 +1 -1.045514 2.162568 1.427152 Rho 0.2756722E-01 |GRAD(Rho)| 0.7893282E-14 GRAD(Rho)x 0.3696440E-14 GRAD(Rho)y 0.3528313E-14 GRAD(Rho)z 0.6015916E-14 Laplacian 0.1101594E+00 (-1/4)Del**2(Rho)) -0.2753986E-01 Diamond 0.1549349E-01 Metallicity 0.1573668E+01 Ellipticity -0.2909006E+01 Gb(Abramov) 0.2558301E-01 Vb(Abramov) -0.2362615E-01 Hb(Abramov) 0.1956855E-02 Ex_ueg -0.6150480E-02 Ec_ueg -0.1218818E-02 Delta_ex -0.6938723E-02 Delta_ec 0.1700761E-02 Delta_et -0.1540005E-01 Pxc 0.5046264E+01 Qxc -0.4079776E+01 3,+1 94 3 +1 1.738560 1.740929 1.756090 Rho 0.1198723E-01 |GRAD(Rho)| 0.1082353E-11 GRAD(Rho)x -0.6214603E-13 GRAD(Rho)y -0.9237245E-12 GRAD(Rho)z 0.5606777E-12 Laplacian 0.6024232E-01 (-1/4)Del**2(Rho)) -0.1506058E-01 Diamond 0.2413028E-02 Metallicity 0.7181958E+00 Ellipticity -0.1246752E+01 Gb(Abramov) 0.1184313E-01 Vb(Abramov) -0.8625676E-02 Hb(Abramov) 0.3217453E-02 Ex_ueg -0.2026175E-02 Ec_ueg -0.4589796E-03 Delta_ex -0.2961105E-02 Delta_ec 0.7833036E-03 Delta_et -0.5870898E-02 Pxc 0.4414520E+01 Qxc -0.3780278E+01 3,+1 95 3 -1 0.000149 2.899110 -0.000112 Rho 0.5439904E-02 |GRAD(Rho)| 0.7934109E-13 GRAD(Rho)x -0.2313141E-13 GRAD(Rho)y 0.2428246E-13 GRAD(Rho)z 0.7190486E-13 Laplacian 0.2171462E-01 (-1/4)Del**2(Rho)) -0.5428655E-02 Diamond 0.6506830E-03 Metallicity 0.5339652E+00 Ellipticity 0.2773573E+01 Gb(Abramov) 0.4102222E-02 Vb(Abramov) -0.2775789E-02 Hb(Abramov) 0.1326433E-02 Ex_ueg -0.7065995E-03 Ec_ueg -0.1658925E-03 Delta_ex -0.1166739E-02 Delta_ec 0.8074847E-03 Delta_et -0.4448185E-02 Pxc 0.4259382E+01 Qxc -0.1444905E+01 3,-1 96 3 -1 0.028301 -0.014869 2.906058 Rho 0.5378190E-02 |GRAD(Rho)| 0.7359253E-17 GRAD(Rho)x 0.6437002E-17 GRAD(Rho)y 0.3562550E-17 GRAD(Rho)z 0.1784671E-18 Laplacian 0.2148213E-01 (-1/4)Del**2(Rho)) -0.5370533E-02 Diamond 0.6406747E-03 Metallicity 0.5295773E+00 Ellipticity 0.2680496E+01 Gb(Abramov) 0.4054374E-02 Vb(Abramov) -0.2738215E-02 Hb(Abramov) 0.1316159E-02 Ex_ueg -0.6959316E-03 Ec_ueg -0.1632240E-03 Delta_ex -0.1157518E-02 Delta_ec 0.8089934E-03 Delta_et -0.4437587E-02 Pxc 0.4263660E+01 Qxc -0.1430813E+01 3,-1 97 3 -1 -1.761707 2.800316 -0.573079 Rho 0.1555551E+00 |GRAD(Rho)| 0.6648031E-13 GRAD(Rho)x 0.4447457E-13 GRAD(Rho)y 0.4862021E-13 GRAD(Rho)z 0.8815919E-14 Laplacian 0.6533485E+00 (-1/4)Del**2(Rho)) -0.1633371E+00 Diamond 0.1375978E+01 Metallicity 0.4745427E+01 Ellipticity 0.1779105E-01 Gb(Abramov) 0.2380755E+00 Vb(Abramov) -0.3128139E+00 Hb(Abramov) -0.7473836E-01 Ex_ueg -0.6178704E-01 Ec_ueg -0.8800063E-02 Delta_ex -0.7072723E-01 Delta_ec 0.1630609E-01 Delta_et -0.2178478E+00 Pxc 0.7021204E+01 Qxc -0.4337474E+01 3,-1 98 3 -1 -1.852214 0.549486 -2.762352 Rho 0.1184661E+00 |GRAD(Rho)| 0.3820663E-14 GRAD(Rho)x -0.2963707E-14 GRAD(Rho)y -0.2357638E-14 GRAD(Rho)z 0.5054144E-15 Laplacian 0.4911899E+00 (-1/4)Del**2(Rho)) -0.1227975E+00 Diamond 0.7432055E+00 Metallicity 0.4008857E+01 Ellipticity 0.5374512E-02 Gb(Abramov) 0.1639113E+00 Vb(Abramov) -0.2050250E+00 Hb(Abramov) -0.4111377E-01 Ex_ueg -0.4297118E-01 Ec_ueg -0.6456648E-02 Delta_ex -0.4973432E-01 Delta_ec 0.1303429E-01 Delta_et -0.1669032E+00 Pxc 0.6655339E+01 Qxc -0.3815652E+01 3,-1 99 3 +1 -1.661743 0.520053 -0.544211 Rho 0.8920785E-02 |GRAD(Rho)| 0.9562814E-15 GRAD(Rho)x 0.6940872E-15 GRAD(Rho)y -0.5141899E-15 GRAD(Rho)z 0.4102752E-15 Laplacian 0.3474013E-01 (-1/4)Del**2(Rho)) -0.8685033E-02 Diamond 0.9842700E-03 Metallicity 0.7611206E+00 Ellipticity -0.1471391E+01 Gb(Abramov) 0.6891748E-02 Vb(Abramov) -0.5098463E-02 Hb(Abramov) 0.1793285E-02 Ex_ueg -0.1366435E-02 Ec_ueg -0.3193556E-03 Delta_ex -0.1604869E-02 Delta_ec 0.4942037E-03 Delta_et -0.3405480E-02 Pxc 0.4278727E+01 Qxc -0.3247385E+01 3,+1 100 3 -1 -2.037351 0.840329 2.971936 Rho 0.1207515E+00 |GRAD(Rho)| 0.5579532E-15 GRAD(Rho)x 0.4114615E-15 GRAD(Rho)y 0.2538185E-15 GRAD(Rho)z 0.2785451E-15 Laplacian 0.4685019E+00 (-1/4)Del**2(Rho)) -0.1171255E+00 Diamond 0.7284462E+00 Metallicity 0.4338998E+01 Ellipticity 0.3481411E-01 Gb(Abramov) 0.1627848E+00 Vb(Abramov) -0.2084442E+00 Hb(Abramov) -0.4565937E-01 Ex_ueg -0.4408002E-01 Ec_ueg -0.6598420E-02 Delta_ex -0.4769538E-01 Delta_ec 0.1245010E-01 Delta_et -0.1600722E+00 Pxc 0.6680390E+01 Qxc -0.3830922E+01 3,-1 101 3 +1 -1.412946 -1.055405 -2.161043 Rho 0.2773862E-01 |GRAD(Rho)| 0.3404275E-14 GRAD(Rho)x -0.1089360E-14 GRAD(Rho)y 0.2066588E-14 GRAD(Rho)z 0.2476206E-14 Laplacian 0.1111022E+00 (-1/4)Del**2(Rho)) -0.2777555E-01 Diamond 0.1611001E-01 Metallicity 0.1576517E+01 Ellipticity -0.3169566E+01 Gb(Abramov) 0.2581514E-01 Vb(Abramov) -0.2385472E-01 Hb(Abramov) 0.1960414E-02 Ex_ueg -0.6201520E-02 Ec_ueg -0.1227564E-02 Delta_ex -0.7042992E-02 Delta_ec 0.1774338E-02 Delta_et -0.1607933E-01 Pxc 0.5051893E+01 Qxc -0.3969364E+01 3,+1 102 3 +1 -1.354411 1.117441 2.173035 Rho 0.2690740E-01 |GRAD(Rho)| 0.3853871E-15 GRAD(Rho)x -0.2918407E-15 GRAD(Rho)y -0.1741836E-15 GRAD(Rho)z 0.1816929E-15 Laplacian 0.1089642E+00 (-1/4)Del**2(Rho)) -0.2724105E-01 Diamond 0.1702913E-01 Metallicity 0.1527972E+01 Ellipticity -0.6310419E+01 Gb(Abramov) 0.2509796E-01 Vb(Abramov) -0.2295487E-01 Hb(Abramov) 0.2143090E-02 Ex_ueg -0.5954984E-02 Ec_ueg -0.1185220E-02 Delta_ex -0.7035708E-02 Delta_ec 0.2070429E-02 Delta_et -0.1856632E-01 Pxc 0.5024371E+01 Qxc -0.3398188E+01 3,+1 103 3 +1 -0.190830 0.197600 2.902371 Rho 0.5302160E-02 |GRAD(Rho)| 0.5191209E-14 GRAD(Rho)x -0.3365422E-14 GRAD(Rho)y 0.3929326E-14 GRAD(Rho)z 0.4277653E-15 Laplacian 0.2198781E-01 (-1/4)Del**2(Rho)) -0.5496952E-02 Diamond 0.5147164E-03 Metallicity 0.5052650E+00 Ellipticity -0.2246646E+01 Gb(Abramov) 0.4127538E-02 Vb(Abramov) -0.2758123E-02 Hb(Abramov) 0.1369414E-02 Ex_ueg -0.6828450E-03 Ec_ueg -0.1599391E-03 Delta_ex -0.1071252E-02 Delta_ec 0.6308526E-03 Delta_et -0.3511632E-02 Pxc 0.4269408E+01 Qxc -0.1698102E+01 3,+1 104 3 +1 -0.541656 -0.520931 1.657862 Rho 0.8902161E-02 |GRAD(Rho)| 0.5158616E-13 GRAD(Rho)x 0.1301186E-13 GRAD(Rho)y -0.4813973E-13 GRAD(Rho)z 0.1320567E-13 Laplacian 0.3460054E-01 (-1/4)Del**2(Rho)) -0.8650136E-02 Diamond 0.9754059E-03 Metallicity 0.7615340E+00 Ellipticity -0.1470324E+01 Gb(Abramov) 0.6864653E-02 Vb(Abramov) -0.5079169E-02 Hb(Abramov) 0.1785483E-02 Ex_ueg -0.1362633E-02 Ec_ueg -0.3185198E-03 Delta_ex -0.1596662E-02 Delta_ec 0.4905891E-03 Delta_et -0.3380050E-02 Pxc 0.4278017E+01 Qxc -0.3254581E+01 3,+1 105 3 +1 -0.527598 -1.665934 0.531096 Rho 0.9032454E-02 |GRAD(Rho)| 0.1635187E-15 GRAD(Rho)x 0.9477152E-16 GRAD(Rho)y 0.1155689E-15 GRAD(Rho)z -0.6633667E-16 Laplacian 0.3539561E-01 (-1/4)Del**2(Rho)) -0.8848902E-02 Diamond 0.9996796E-03 Metallicity 0.7626760E+00 Ellipticity -0.1445983E+01 Gb(Abramov) 0.7024075E-02 Vb(Abramov) -0.5199249E-02 Hb(Abramov) 0.1824827E-02 Ex_ueg -0.1389289E-02 Ec_ueg -0.3243706E-03 Delta_ex -0.1631743E-02 Delta_ec 0.4882188E-03 Delta_et -0.3387128E-02 Pxc 0.4283032E+01 Qxc -0.3342238E+01 3,+1 106 3 +3 -1.124292 -1.097515 1.108245 Rho 0.5229854E-02 |GRAD(Rho)| 0.1002704E-13 GRAD(Rho)x -0.2537968E-14 GRAD(Rho)y -0.9502841E-14 GRAD(Rho)z -0.1948421E-14 Laplacian 0.2038525E-01 (-1/4)Del**2(Rho)) -0.5096312E-02 Diamond 0.1502941E-03 Metallicity 0.5326556E+00 Ellipticity -0.5554677E-01 Gb(Abramov) 0.3849971E-02 Vb(Abramov) -0.2603630E-02 Hb(Abramov) 0.1246341E-02 Ex_ueg -0.6704574E-03 Ec_ueg -0.1568177E-03 Delta_ex -0.7121844E-03 Delta_ec 0.8806948E-04 Delta_et -0.7075413E-03 Pxc 0.4275392E+01 Qxc -0.8086620E+01 3,+3 107 3 -1 -0.869056 -1.954505 -3.013102 Rho 0.1503283E+00 |GRAD(Rho)| 0.2250522E-15 GRAD(Rho)x -0.4290730E-16 GRAD(Rho)y -0.1596081E-15 GRAD(Rho)z 0.1527505E-15 Laplacian 0.5898577E+00 (-1/4)Del**2(Rho)) -0.1474644E+00 Diamond 0.1202588E+01 Metallicity 0.4965166E+01 Ellipticity 0.4727887E-01 Gb(Abramov) 0.2203405E+00 Vb(Abramov) -0.2932166E+00 Hb(Abramov) -0.7287609E-01 Ex_ueg -0.5903452E-01 Ec_ueg -0.8464533E-02 Delta_ex -0.6341993E-01 Delta_ec 0.1503061E-01 Delta_et -0.2003160E+00 Pxc 0.6974339E+01 Qxc -0.4219386E+01 3,-1 108 3 +1 -0.172098 -0.153960 -2.902148 Rho 0.5355046E-02 |GRAD(Rho)| 0.3606796E-17 GRAD(Rho)x 0.1317044E-17 GRAD(Rho)y -0.2473952E-17 GRAD(Rho)z -0.2270228E-17 Laplacian 0.2194235E-01 (-1/4)Del**2(Rho)) -0.5485587E-02 Diamond 0.5466673E-03 Metallicity 0.5147568E+00 Ellipticity -0.2975400E+01 Gb(Abramov) 0.4127682E-02 Vb(Abramov) -0.2769777E-02 Hb(Abramov) 0.1357905E-02 Ex_ueg -0.6919415E-03 Ec_ueg -0.1622237E-03 Delta_ex -0.1093297E-02 Delta_ec 0.6690492E-03 Delta_et -0.3717859E-02 Pxc 0.4265353E+01 Qxc -0.1634105E+01 3,+1 109 3 -1 -1.845834 -0.545985 2.748949 Rho 0.1209935E+00 |GRAD(Rho)| 0.2913829E-15 GRAD(Rho)x 0.1512598E-15 GRAD(Rho)y -0.2490345E-15 GRAD(Rho)z 0.2517382E-17 Laplacian 0.5060568E+00 (-1/4)Del**2(Rho)) -0.1265142E+00 Diamond 0.7839394E+00 Metallicity 0.4030424E+01 Ellipticity 0.2366712E-02 Gb(Abramov) 0.1693271E+00 Vb(Abramov) -0.2121400E+00 Hb(Abramov) -0.4281291E-01 Ex_ueg -0.4419786E-01 Ec_ueg -0.6613454E-02 Delta_ex -0.5147967E-01 Delta_ec 0.1332820E-01 Delta_et -0.1712305E+00 Pxc 0.6683021E+01 Qxc -0.3862461E+01 3,-1 110 3 -1 -0.839971 2.963050 2.043103 Rho 0.1180019E+00 |GRAD(Rho)| 0.7691834E-15 GRAD(Rho)x 0.2194222E-15 GRAD(Rho)y -0.6393134E-15 GRAD(Rho)z 0.3671176E-15 Laplacian 0.4590787E+00 (-1/4)Del**2(Rho)) -0.1147697E+00 Diamond 0.6929865E+00 Metallicity 0.4261291E+01 Ellipticity 0.3102920E-01 Gb(Abramov) 0.1580243E+00 Vb(Abramov) -0.2012789E+00 Hb(Abramov) -0.4325461E-01 Ex_ueg -0.4274683E-01 Ec_ueg -0.6427897E-02 Delta_ex -0.4646193E-01 Delta_ec 0.1223352E-01 Delta_et -0.1566075E+00 Pxc 0.6650204E+01 Qxc -0.3797920E+01 3,-1 111 3 +3 -0.002291 0.018038 -2.317205 Rho 0.4635305E-02 |GRAD(Rho)| 0.5578325E-17 GRAD(Rho)x 0.2279396E-17 GRAD(Rho)y -0.4966703E-17 GRAD(Rho)z -0.1119790E-17 Laplacian 0.1884122E-01 (-1/4)Del**2(Rho)) -0.4710304E-02 Diamond 0.1690907E-03 Metallicity 0.4713044E+00 Ellipticity -0.3350717E+00 Gb(Abramov) 0.3510200E-02 Vb(Abramov) -0.2310097E-02 Hb(Abramov) 0.1200103E-02 Ex_ueg -0.5708073E-03 Ec_ueg -0.1312524E-03 Delta_ex -0.6892884E-03 Delta_ec 0.1755663E-03 Delta_et -0.1102192E-02 Pxc 0.4348928E+01 Qxc -0.3926086E+01 3,+3 112 3 +1 2.174900 -1.129194 1.329083 Rho 0.2777149E-01 |GRAD(Rho)| 0.1948414E-16 GRAD(Rho)x -0.1726000E-16 GRAD(Rho)y 0.7422288E-17 GRAD(Rho)z -0.5160811E-17 Laplacian 0.1126119E+00 (-1/4)Del**2(Rho)) -0.2815297E-01 Diamond 0.1781052E-01 Metallicity 0.1558455E+01 Ellipticity -0.5054241E+01 Gb(Abramov) 0.2608117E-01 Vb(Abramov) -0.2400937E-01 Hb(Abramov) 0.2071799E-02 Ex_ueg -0.6211322E-02 Ec_ueg -0.1229242E-02 Delta_ex -0.7278330E-02 Delta_ec 0.2043661E-02 Delta_et -0.1848519E-01 Pxc 0.5052969E+01 Qxc -0.3561418E+01 3,+1 113 3 +1 2.176230 1.127690 -1.320938 Rho 0.2845622E-01 |GRAD(Rho)| 0.2911404E-15 GRAD(Rho)x 0.1570862E-15 GRAD(Rho)y -0.1291576E-15 GRAD(Rho)z -0.2083386E-15 Laplacian 0.1165896E+00 (-1/4)Del**2(Rho)) -0.2914740E-01 Diamond 0.1933542E-01 Metallicity 0.1567649E+01 Ellipticity -0.5754609E+01 Gb(Abramov) 0.2704708E-01 Vb(Abramov) -0.2494676E-01 Hb(Abramov) 0.2100318E-02 Ex_ueg -0.6416350E-02 Ec_ueg -0.1264256E-02 Delta_ex -0.7608894E-02 Delta_ec 0.2159470E-02 Delta_et -0.1964447E-01 Pxc 0.5075200E+01 Qxc -0.3523501E+01 3,+1 114 3 +1 1.661714 0.519984 0.544175 Rho 0.8921073E-02 |GRAD(Rho)| 0.2305032E-15 GRAD(Rho)x -0.1020703E-15 GRAD(Rho)y 0.5543716E-16 GRAD(Rho)z -0.1990982E-15 Laplacian 0.3474060E-01 (-1/4)Del**2(Rho)) -0.8685150E-02 Diamond 0.9843274E-03 Metallicity 0.7611513E+00 Ellipticity -0.1471429E+01 Gb(Abramov) 0.6891886E-02 Vb(Abramov) -0.5098621E-02 Hb(Abramov) 0.1793265E-02 Ex_ueg -0.1366494E-02 Ec_ueg -0.3193686E-03 Delta_ex -0.1604905E-02 Delta_ec 0.4942109E-03 Delta_et -0.3405557E-02 Pxc 0.4278738E+01 Qxc -0.3247409E+01 3,+1 115 3 -1 -0.846360 -2.965897 -2.018497 Rho 0.1329829E+00 |GRAD(Rho)| 0.5073003E-15 GRAD(Rho)x 0.3102580E-15 GRAD(Rho)y 0.1135770E-15 GRAD(Rho)z -0.3849595E-15 Laplacian 0.5230264E+00 (-1/4)Del**2(Rho)) -0.1307566E+00 Diamond 0.9218925E+00 Metallicity 0.4564737E+01 Ellipticity 0.2541977E-01 Gb(Abramov) 0.1866493E+00 Vb(Abramov) -0.2425420E+00 Hb(Abramov) -0.5589271E-01 Ex_ueg -0.5013173E-01 Ec_ueg -0.7363242E-02 Delta_ex -0.5459814E-01 Delta_ec 0.1376510E-01 Delta_et -0.1801697E+00 Pxc 0.6808377E+01 Qxc -0.3966418E+01 3,-1 116 3 -1 -0.570923 1.780946 -2.817780 Rho 0.1446426E+00 |GRAD(Rho)| 0.4318101E-15 GRAD(Rho)x 0.2704271E-15 GRAD(Rho)y 0.3364415E-15 GRAD(Rho)z 0.1167211E-16 Laplacian 0.6054017E+00 (-1/4)Del**2(Rho)) -0.1513504E+00 Diamond 0.1153172E+01 Metallicity 0.4536591E+01 Ellipticity 0.2496665E-01 Gb(Abramov) 0.2153361E+00 Vb(Abramov) -0.2793218E+00 Hb(Abramov) -0.6398570E-01 Ex_ueg -0.5607636E-01 Ec_ueg -0.8101447E-02 Delta_ex -0.6421515E-01 Delta_ec 0.1510269E-01 Delta_et -0.1991424E+00 Pxc 0.6921771E+01 Qxc -0.4251901E+01 3,-1 117 3 -1 -0.536107 1.708083 1.768279 Rho 0.4233001E-01 |GRAD(Rho)| 0.4593904E-13 GRAD(Rho)x 0.1498974E-13 GRAD(Rho)y 0.2799511E-13 GRAD(Rho)z 0.3319604E-13 Laplacian 0.1782270E+00 (-1/4)Del**2(Rho)) -0.4455676E-01 Diamond 0.7364972E-01 Metallicity 0.1987865E+01 Ellipticity 0.9626807E-02 Gb(Abramov) 0.4446664E-01 Vb(Abramov) -0.4437653E-01 Hb(Abramov) 0.9011631E-04 Ex_ueg -0.1089556E-01 Ec_ueg -0.1995512E-02 Delta_ex -0.1415791E-01 Delta_ec 0.5471112E-02 Delta_et -0.5523036E-01 Pxc 0.5460034E+01 Qxc -0.2587757E+01 3,-1 118 3 -1 -0.867307 1.963223 3.031282 Rho 0.1432679E+00 |GRAD(Rho)| 0.1658073E-15 GRAD(Rho)x -0.1315950E-16 GRAD(Rho)y 0.8893168E-16 GRAD(Rho)z -0.1393200E-15 Laplacian 0.5580618E+00 (-1/4)Del**2(Rho)) -0.1395154E+00 Diamond 0.1062159E+01 Metallicity 0.4843719E+01 Ellipticity 0.6177323E-01 Gb(Abramov) 0.2056392E+00 Vb(Abramov) -0.2717630E+00 Hb(Abramov) -0.6612378E-01 Ex_ueg -0.5536689E-01 Ec_ueg -0.8013963E-02 Delta_ex -0.5917452E-01 Delta_ec 0.1416815E-01 Delta_et -0.1870426E+00 Pxc 0.6908803E+01 Qxc -0.4176587E+01 3,-1 119 3 -1 0.546380 2.749651 1.857367 Rho 0.1167302E+00 |GRAD(Rho)| 0.2637159E-14 GRAD(Rho)x -0.1392061E-14 GRAD(Rho)y -0.7487026E-15 GRAD(Rho)z 0.2110976E-14 Laplacian 0.4874561E+00 (-1/4)Del**2(Rho)) -0.1218640E+00 Diamond 0.7246291E+00 Metallicity 0.3941395E+01 Ellipticity 0.4635007E-02 Gb(Abramov) 0.1612951E+00 Vb(Abramov) -0.2007261E+00 Hb(Abramov) -0.3943104E-01 Ex_ueg -0.4213370E-01 Ec_ueg -0.6349210E-02 Delta_ex -0.4918355E-01 Delta_ec 0.1298114E-01 Delta_et -0.1657962E+00 Pxc 0.6636054E+01 Qxc -0.3788846E+01 3,-1 120 3 +3 -0.000115 -2.326499 0.000052 Rho 0.4825068E-02 |GRAD(Rho)| 0.1940687E-15 GRAD(Rho)x 0.1203720E-15 GRAD(Rho)y 0.9021680E-16 GRAD(Rho)z 0.1226139E-15 Laplacian 0.1978051E-01 (-1/4)Del**2(Rho)) -0.4945126E-02 Diamond 0.1878400E-03 Metallicity 0.4799708E+00 Ellipticity -0.2681447E+00 Gb(Abramov) 0.3692337E-02 Vb(Abramov) -0.2439548E-02 Hb(Abramov) 0.1252789E-02 Ex_ueg -0.6021753E-03 Ec_ueg -0.1393925E-03 Delta_ex -0.7314890E-03 Delta_ec 0.1849788E-03 Delta_et -0.1171608E-02 Pxc 0.4319997E+01 Qxc -0.3954446E+01 3,+3 121 3 -1 -0.551293 -2.749720 1.830323 Rho 0.1314478E+00 |GRAD(Rho)| 0.1406363E-15 GRAD(Rho)x 0.8398501E-16 GRAD(Rho)y 0.1506702E-16 GRAD(Rho)z -0.1117948E-15 Laplacian 0.5529662E+00 (-1/4)Del**2(Rho)) -0.1382416E+00 Diamond 0.9599223E+00 Metallicity 0.4234840E+01 Ellipticity 0.1133415E-01 Gb(Abramov) 0.1897328E+00 Vb(Abramov) -0.2412241E+00 Hb(Abramov) -0.5149129E-01 Ex_ueg -0.4936165E-01 Ec_ueg -0.7266709E-02 Delta_ex -0.5754733E-01 Delta_ec 0.1456721E-01 Delta_et -0.1902623E+00 Pxc 0.6792848E+01 Qxc -0.3950469E+01 3,-1 122 3 -1 -0.568689 -1.767376 2.791464 Rho 0.1514807E+00 |GRAD(Rho)| 0.1530763E-15 GRAD(Rho)x 0.4849094E-16 GRAD(Rho)y -0.6597370E-16 GRAD(Rho)z 0.1293385E-15 Laplacian 0.6359302E+00 (-1/4)Del**2(Rho)) -0.1589825E+00 Diamond 0.1298858E+01 Metallicity 0.4664437E+01 Ellipticity 0.1463438E-01 Gb(Abramov) 0.2295824E+00 Vb(Abramov) -0.3001822E+00 Hb(Abramov) -0.7059982E-01 Ex_ueg -0.5963869E-01 Ec_ueg -0.8538367E-02 Delta_ex -0.6840750E-01 Delta_ec 0.1600526E-01 Delta_et -0.2131397E+00 Pxc 0.6984789E+01 Qxc -0.4274064E+01 3,-1 123 3 -1 -0.532993 -1.705062 -1.745985 Rho 0.4884576E-01 |GRAD(Rho)| 0.8309238E-16 GRAD(Rho)x -0.5419931E-16 GRAD(Rho)y -0.5094988E-16 GRAD(Rho)z -0.3702550E-16 Laplacian 0.1994200E+00 (-1/4)Del**2(Rho)) -0.4985500E-01 Diamond 0.9705157E-01 Metallicity 0.2255395E+01 Ellipticity 0.1214081E-01 Gb(Abramov) 0.5197712E-01 Vb(Abramov) -0.5409923E-01 Hb(Abramov) -0.2122117E-02 Ex_ueg -0.1318725E-01 Ec_ueg -0.2351172E-02 Delta_ex -0.1627944E-01 Delta_ec 0.5873056E-02 Delta_et -0.6153449E-01 Pxc 0.5608799E+01 Qxc -0.2771885E+01 3,-1 124 3 -1 0.532902 -1.705051 1.746066 Rho 0.4884471E-01 |GRAD(Rho)| 0.1593202E-15 GRAD(Rho)x -0.6777301E-16 GRAD(Rho)y -0.3235666E-17 GRAD(Rho)z 0.1441502E-15 Laplacian 0.1994210E+00 (-1/4)Del**2(Rho)) -0.4985525E-01 Diamond 0.9704928E-01 Metallicity 0.2255302E+01 Ellipticity 0.1213969E-01 Gb(Abramov) 0.5197662E-01 Vb(Abramov) -0.5409798E-01 Hb(Abramov) -0.2121362E-02 Ex_ueg -0.1318687E-01 Ec_ueg -0.2351114E-02 Delta_ex -0.1627943E-01 Delta_ec 0.5873090E-02 Delta_et -0.6153450E-01 Pxc 0.5608776E+01 Qxc -0.2771868E+01 3,-1 125 3 -1 -0.546239 2.749484 -1.857434 Rho 0.1167418E+00 |GRAD(Rho)| 0.2050838E-15 GRAD(Rho)x 0.1554136E-15 GRAD(Rho)y -0.4335792E-16 GRAD(Rho)z 0.1265942E-15 Laplacian 0.4875017E+00 (-1/4)Del**2(Rho)) -0.1218754E+00 Diamond 0.7247787E+00 Metallicity 0.3941676E+01 Ellipticity 0.4628765E-02 Gb(Abramov) 0.1613159E+00 Vb(Abramov) -0.2007563E+00 Hb(Abramov) -0.3944043E-01 Ex_ueg -0.4213925E-01 Ec_ueg -0.6349924E-02 Delta_ex -0.4918925E-01 Delta_ec 0.1298195E-01 Delta_et -0.1658092E+00 Pxc 0.6636183E+01 Qxc -0.3789050E+01 3,-1 126 3 +1 0.169001 2.893149 -0.177306 Rho 0.5399476E-02 |GRAD(Rho)| 0.9243511E-17 GRAD(Rho)x 0.6356297E-17 GRAD(Rho)y -0.6502440E-18 GRAD(Rho)z 0.6679608E-17 Laplacian 0.2217626E-01 (-1/4)Del**2(Rho)) -0.5544064E-02 Diamond 0.5446460E-03 Metallicity 0.5163898E+00 Ellipticity -0.2651835E+01 Gb(Abramov) 0.4173192E-02 Vb(Abramov) -0.2802321E-02 Hb(Abramov) 0.1370872E-02 Ex_ueg -0.6996066E-03 Ec_ueg -0.1641442E-03 Delta_ex -0.1095000E-02 Delta_ec 0.6551960E-03 Delta_et -0.3658560E-02 Pxc 0.4262147E+01 Qxc -0.1671256E+01 3,+1 127 3 -1 0.867418 1.962949 -3.031344 Rho 0.1432549E+00 |GRAD(Rho)| 0.1803922E-15 GRAD(Rho)x -0.1658016E-15 GRAD(Rho)y 0.6418477E-16 GRAD(Rho)z 0.3052029E-16 Laplacian 0.5580273E+00 (-1/4)Del**2(Rho)) -0.1395068E+00 Diamond 0.1061984E+01 Metallicity 0.4843285E+01 Ellipticity 0.6176839E-01 Gb(Abramov) 0.2056164E+00 Vb(Abramov) -0.2717260E+00 Hb(Abramov) -0.6610961E-01 Ex_ueg -0.5536019E-01 Ec_ueg -0.8013136E-02 Delta_ex -0.5916962E-01 Delta_ec 0.1416772E-01 Delta_et -0.1870347E+00 Pxc 0.6908680E+01 Qxc -0.4176370E+01 3,-1 128 3 +1 0.541631 -0.520981 -1.657855 Rho 0.8902241E-02 |GRAD(Rho)| 0.9827023E-17 GRAD(Rho)x -0.5946989E-17 GRAD(Rho)y -0.4120309E-17 GRAD(Rho)z 0.6650320E-17 Laplacian 0.3459972E-01 (-1/4)Del**2(Rho)) -0.8649929E-02 Diamond 0.9754023E-03 Metallicity 0.7615636E+00 Ellipticity -0.1470376E+01 Gb(Abramov) 0.6864531E-02 Vb(Abramov) -0.5079133E-02 Hb(Abramov) 0.1785398E-02 Ex_ueg -0.1362650E-02 Ec_ueg -0.3185234E-03 Delta_ex -0.1596631E-02 Delta_ec 0.4905834E-03 Delta_et -0.3380014E-02 Pxc 0.4278020E+01 Qxc -0.3254555E+01 3,+1 129 3 -1 -0.469042 -0.472496 -0.469741 Rho 0.1859352E+00 |GRAD(Rho)| 0.7455248E-14 GRAD(Rho)x -0.3830269E-14 GRAD(Rho)y -0.4229256E-14 GRAD(Rho)z -0.4798245E-14 Laplacian 0.5129607E+00 (-1/4)Del**2(Rho)) -0.1282402E+00 Diamond 0.1371699E+01 Metallicity 0.8137014E+01 Ellipticity 0.2579974E-02 Gb(Abramov) 0.2594088E+00 Vb(Abramov) -0.3905774E+00 Hb(Abramov) -0.1311686E+00 Ex_ueg -0.7837914E-01 Ec_ueg -0.1078235E-01 Delta_ex -0.5831348E-01 Delta_ec 0.1266766E-01 Delta_et -0.1741095E+00 Pxc 0.7269207E+01 Qxc -0.4603335E+01 3,-1 130 3 +1 0.171801 -0.153547 2.902164 Rho 0.5353647E-02 |GRAD(Rho)| 0.7465209E-17 GRAD(Rho)x -0.6057065E-17 GRAD(Rho)y -0.4320871E-17 GRAD(Rho)z 0.6094124E-18 Laplacian 0.2193544E-01 (-1/4)Del**2(Rho)) -0.5483859E-02 Diamond 0.5465252E-03 Metallicity 0.5146948E+00 Ellipticity -0.2981907E+01 Gb(Abramov) 0.4126325E-02 Vb(Abramov) -0.2768791E-02 Hb(Abramov) 0.1357534E-02 Ex_ueg -0.6917004E-03 Ec_ueg -0.1621633E-03 Delta_ex -0.1093085E-02 Delta_ec 0.6691747E-03 Delta_et -0.3718127E-02 Pxc 0.4265457E+01 Qxc -0.1633482E+01 3,+1 131 3 +3 0.002324 0.018151 2.317310 Rho 0.4634402E-02 |GRAD(Rho)| 0.5378144E-17 GRAD(Rho)x 0.1682625E-17 GRAD(Rho)y 0.2252146E-17 GRAD(Rho)z -0.4584872E-17 Laplacian 0.1883746E-01 (-1/4)Del**2(Rho)) -0.4709364E-02 Diamond 0.1690472E-03 Metallicity 0.4712453E+00 Ellipticity -0.3349632E+00 Gb(Abramov) 0.3509454E-02 Vb(Abramov) -0.2309543E-02 Hb(Abramov) 0.1199910E-02 Ex_ueg -0.5706590E-03 Ec_ueg -0.1312137E-03 Delta_ex -0.6891525E-03 Delta_ec 0.1755955E-03 Delta_et -0.1102235E-02 Pxc 0.4349081E+01 Qxc -0.3924660E+01 3,+3 132 3 +1 0.190973 0.197565 -2.902395 Rho 0.5303536E-02 |GRAD(Rho)| 0.1036415E-16 GRAD(Rho)x 0.7787479E-17 GRAD(Rho)y -0.6704809E-17 GRAD(Rho)z 0.1347718E-17 Laplacian 0.2199413E-01 (-1/4)Del**2(Rho)) -0.5498531E-02 Diamond 0.5149081E-03 Metallicity 0.5053384E+00 Ellipticity -0.2245025E+01 Gb(Abramov) 0.4128791E-02 Vb(Abramov) -0.2759050E-02 Hb(Abramov) 0.1369741E-02 Ex_ueg -0.6830813E-03 Ec_ueg -0.1599985E-03 Delta_ex -0.1071499E-02 Delta_ec 0.6308255E-03 Delta_et -0.3511843E-02 Pxc 0.4269299E+01 Qxc -0.1698567E+01 3,+1 133 3 -1 -0.474500 0.474982 0.468358 Rho 0.1880309E+00 |GRAD(Rho)| 0.8690324E-15 GRAD(Rho)x -0.2012279E-15 GRAD(Rho)y 0.1249001E-15 GRAD(Rho)z 0.8361367E-15 Laplacian 0.5209156E+00 (-1/4)Del**2(Rho)) -0.1302289E+00 Diamond 0.1410431E+01 Metallicity 0.8163842E+01 Ellipticity 0.2671460E-02 Gb(Abramov) 0.2640140E+00 Vb(Abramov) -0.3977990E+00 Hb(Abramov) -0.1337851E+00 Ex_ueg -0.7955927E-01 Ec_ueg -0.1092106E-01 Delta_ex -0.5937456E-01 Delta_ec 0.1280755E-01 Delta_et -0.1761844E+00 Pxc 0.7284938E+01 Qxc -0.4635902E+01 3,-1 134 3 -1 0.061796 -3.143263 -3.246822 Rho 0.2520141E+00 |GRAD(Rho)| 0.4043546E-14 GRAD(Rho)x 0.3145569E-14 GRAD(Rho)y -0.2328866E-14 GRAD(Rho)z 0.1015897E-14 Laplacian 0.9194986E+00 (-1/4)Del**2(Rho)) -0.2298747E+00 Diamond 0.3433325E+01 Metallicity 0.7535351E+01 Ellipticity 0.1748538E-02 Gb(Abramov) 0.4419475E+00 Vb(Abramov) -0.6540203E+00 Hb(Abramov) -0.2120728E+00 Ex_ueg -0.1175668E+00 Ec_ueg -0.1527356E-01 Delta_ex -0.1124465E+00 Delta_ec 0.1987760E-01 Delta_et -0.2750526E+00 Pxc 0.7697407E+01 Qxc -0.5656944E+01 3,-1 135 3 -1 1.766175 0.533349 -1.707207 Rho 0.4328304E-01 |GRAD(Rho)| 0.2342679E-13 GRAD(Rho)x -0.1200553E-13 GRAD(Rho)y 0.1997379E-13 GRAD(Rho)z -0.2393687E-14 Laplacian 0.1827331E+00 (-1/4)Del**2(Rho)) -0.4568328E-01 Diamond 0.7783197E-01 Metallicity 0.2012143E+01 Ellipticity 0.1638425E-01 Gb(Abramov) 0.4577573E-01 Vb(Abramov) -0.4586819E-01 Hb(Abramov) -0.9245448E-04 Ex_ueg -0.1122386E-01 Ec_ueg -0.2047095E-02 Delta_ex -0.1459606E-01 Delta_ec 0.5608644E-02 Delta_et -0.5695896E-01 Pxc 0.5482820E+01 Qxc -0.2602423E+01 3,-1 136 3 +1 0.518770 1.669089 0.546419 Rho 0.8917432E-02 |GRAD(Rho)| 0.1571089E-12 GRAD(Rho)x 0.1107310E-12 GRAD(Rho)y 0.1092208E-12 GRAD(Rho)z 0.2219635E-13 Laplacian 0.3451766E-01 (-1/4)Del**2(Rho)) -0.8629416E-02 Diamond 0.9733776E-03 Metallicity 0.7655463E+00 Ellipticity -0.1473488E+01 Gb(Abramov) 0.6853980E-02 Vb(Abramov) -0.5078544E-02 Hb(Abramov) 0.1775436E-02 Ex_ueg -0.1365751E-02 Ec_ueg -0.3192052E-03 Delta_ex -0.1592685E-02 Delta_ec 0.4879051E-03 Delta_et -0.3364242E-02 Pxc 0.4278599E+01 Qxc -0.3264333E+01 3,+1 137 3 +1 1.179210 -2.174664 1.276191 Rho 0.2943243E-01 |GRAD(Rho)| 0.6444036E-16 GRAD(Rho)x 0.3396961E-16 GRAD(Rho)y -0.5472770E-16 GRAD(Rho)z 0.1872032E-17 Laplacian 0.1208255E+00 (-1/4)Del**2(Rho)) -0.3020637E-01 Diamond 0.2130148E-01 Metallicity 0.1600166E+01 Ellipticity -0.7823608E+01 Gb(Abramov) 0.2819344E-01 Vb(Abramov) -0.2618052E-01 Hb(Abramov) 0.2012924E-02 Ex_ueg -0.6711506E-02 Ec_ueg -0.1314369E-02 Delta_ex -0.7983655E-02 Delta_ec 0.2286585E-02 Delta_et -0.2096958E-01 Pxc 0.5106258E+01 Qxc -0.3491520E+01 3,+1 138 3 -1 -0.000102 -2.892996 0.000072 Rho 0.5510011E-02 |GRAD(Rho)| 0.4227919E-17 GRAD(Rho)x -0.2322401E-17 GRAD(Rho)y -0.4753639E-19 GRAD(Rho)z 0.3532633E-17 Laplacian 0.2211749E-01 (-1/4)Del**2(Rho)) -0.5529371E-02 Diamond 0.6701026E-03 Metallicity 0.5355477E+00 Ellipticity 0.3075830E+01 Gb(Abramov) 0.4179788E-02 Vb(Abramov) -0.2830205E-02 Hb(Abramov) 0.1349583E-02 Ex_ueg -0.7187674E-03 Ec_ueg -0.1689263E-03 Delta_ex -0.1187799E-02 Delta_ec 0.8164160E-03 Delta_et -0.4517007E-02 Pxc 0.4254918E+01 Qxc -0.1454895E+01 3,-1 139 3 +1 0.162972 -2.886155 0.165907 Rho 0.5475882E-02 |GRAD(Rho)| 0.3031422E-15 GRAD(Rho)x 0.2991578E-15 GRAD(Rho)y 0.2001379E-16 GRAD(Rho)z 0.4471344E-16 Laplacian 0.2256788E-01 (-1/4)Del**2(Rho)) -0.5641971E-02 Diamond 0.5693355E-03 Metallicity 0.5194525E+00 Ellipticity -0.2795129E+01 Gb(Abramov) 0.4249770E-02 Vb(Abramov) -0.2857569E-02 Hb(Abramov) 0.1392201E-02 Ex_ueg -0.7128375E-03 Ec_ueg -0.1674491E-03 Delta_ex -0.1121163E-02 Delta_ec 0.6733624E-03 Delta_et -0.3772953E-02 Pxc 0.4257040E+01 Qxc -0.1665022E+01 3,+1 140 3 -1 0.846256 -2.965836 2.018716 Rho 0.1330257E+00 |GRAD(Rho)| 0.2451986E-09 GRAD(Rho)x 0.1726176E-09 GRAD(Rho)y -0.1098223E-09 GRAD(Rho)z -0.1351464E-09 Laplacian 0.5232047E+00 (-1/4)Del**2(Rho)) -0.1308012E+00 Diamond 0.9225766E+00 Metallicity 0.4565633E+01 Ellipticity 0.2544501E-01 Gb(Abramov) 0.1867325E+00 Vb(Abramov) -0.2426638E+00 Hb(Abramov) -0.5593131E-01 Ex_ueg -0.5015328E-01 Ec_ueg -0.7365941E-02 Delta_ex -0.5462115E-01 Delta_ec 0.1376899E-01 Delta_et -0.1802304E+00 Pxc 0.6808808E+01 Qxc -0.3966968E+01 3,-1 141 3 -1 -0.061835 -3.143128 3.247036 Rho 0.2520180E+00 |GRAD(Rho)| 0.3762353E-15 GRAD(Rho)x 0.1400518E-15 GRAD(Rho)y -0.1663166E-15 GRAD(Rho)z -0.3070461E-15 Laplacian 0.9195119E+00 (-1/4)Del**2(Rho)) -0.2298780E+00 Diamond 0.3433455E+01 Metallicity 0.7535437E+01 Ellipticity 0.1747642E-02 Gb(Abramov) 0.4419571E+00 Vb(Abramov) -0.6540363E+00 Hb(Abramov) -0.2120792E+00 Ex_ueg -0.1175693E+00 Ec_ueg -0.1527384E-01 Delta_ex -0.1124486E+00 Delta_ec 0.1987793E-01 Delta_et -0.2750580E+00 Pxc 0.7697429E+01 Qxc -0.5656957E+01 3,-1 142 3 -1 0.551156 -2.749768 -1.830163 Rho 0.1314606E+00 |GRAD(Rho)| 0.4753900E-15 GRAD(Rho)x -0.4409450E-15 GRAD(Rho)y 0.6077970E-16 GRAD(Rho)z 0.1669400E-15 Laplacian 0.5530327E+00 (-1/4)Del**2(Rho)) -0.1382582E+00 Diamond 0.9601671E+00 Metallicity 0.4235015E+01 Ellipticity 0.1133394E-01 Gb(Abramov) 0.1897597E+00 Vb(Abramov) -0.2412612E+00 Hb(Abramov) -0.5150152E-01 Ex_ueg -0.4936803E-01 Ec_ueg -0.7267510E-02 Delta_ex -0.5755579E-01 Delta_ec 0.1456900E-01 Delta_et -0.1902893E+00 Pxc 0.6792978E+01 Qxc -0.3950566E+01 3,-1 143 3 -1 0.568587 -1.767494 -2.791396 Rho 0.1515134E+00 |GRAD(Rho)| 0.8818857E-15 GRAD(Rho)x 0.6410074E-15 GRAD(Rho)y 0.3883883E-15 GRAD(Rho)z -0.4647433E-15 Laplacian 0.6360585E+00 (-1/4)Del**2(Rho)) -0.1590146E+00 Diamond 0.1299447E+01 Metallicity 0.4665175E+01 Ellipticity 0.1464817E-01 Gb(Abramov) 0.2296483E+00 Vb(Abramov) -0.3002819E+00 Hb(Abramov) -0.7063364E-01 Ex_ueg -0.5965587E-01 Ec_ueg -0.8540465E-02 Delta_ex -0.6842484E-01 Delta_ec 0.1600743E-01 Delta_et -0.2131745E+00 Pxc 0.6985085E+01 Qxc -0.4274566E+01 3,-1 144 3 +1 0.527461 -1.665930 -0.531050 Rho 0.9033655E-02 |GRAD(Rho)| 0.1073516E-14 GRAD(Rho)x 0.9301265E-15 GRAD(Rho)y -0.4694657E-15 GRAD(Rho)z 0.2586546E-15 Laplacian 0.3540063E-01 (-1/4)Del**2(Rho)) -0.8850159E-02 Diamond 0.9999964E-03 Metallicity 0.7627366E+00 Ellipticity -0.1446020E+01 Gb(Abramov) 0.7025162E-02 Vb(Abramov) -0.5200166E-02 Hb(Abramov) 0.1824996E-02 Ex_ueg -0.1389536E-02 Ec_ueg -0.3244245E-03 Delta_ex -0.1632028E-02 Delta_ec 0.4882832E-03 Delta_et -0.3387694E-02 Pxc 0.4283078E+01 Qxc -0.3342379E+01 3,+1 145 3 -1 0.570999 1.781184 2.817758 Rho 0.1446280E+00 |GRAD(Rho)| 0.2274456E-12 GRAD(Rho)x 0.2260274E-12 GRAD(Rho)y -0.1005969E-13 GRAD(Rho)z 0.2327959E-13 Laplacian 0.6053196E+00 (-1/4)Del**2(Rho)) -0.1513299E+00 Diamond 0.1152888E+01 Metallicity 0.4536444E+01 Ellipticity 0.2495798E-01 Gb(Abramov) 0.2153032E+00 Vb(Abramov) -0.2792765E+00 Hb(Abramov) -0.6397330E-01 Ex_ueg -0.5606882E-01 Ec_ueg -0.8100518E-02 Delta_ex -0.6420497E-01 Delta_ec 0.1510125E-01 Delta_et -0.1991211E+00 Pxc 0.6921634E+01 Qxc -0.4251633E+01 3,-1 146 3 -1 0.536179 1.707919 -1.768327 Rho 0.4234806E-01 |GRAD(Rho)| 0.7650846E-16 GRAD(Rho)x -0.4027504E-16 GRAD(Rho)y 0.6503773E-16 GRAD(Rho)z 0.1248950E-17 Laplacian 0.1783052E+00 (-1/4)Del**2(Rho)) -0.4457629E-01 Diamond 0.7372559E-01 Metallicity 0.1988406E+01 Ellipticity 0.9625916E-02 Gb(Abramov) 0.4449016E-01 Vb(Abramov) -0.4440402E-01 Hb(Abramov) 0.8613695E-04 Ex_ueg -0.1090175E-01 Ec_ueg -0.1996487E-02 Delta_ex -0.1416565E-01 Delta_ec 0.5473580E-02 Delta_et -0.5526163E-01 Pxc 0.5460469E+01 Qxc -0.2588005E+01 3,-1 147 3 -1 0.840144 2.962843 -2.043225 Rho 0.1179764E+00 |GRAD(Rho)| 0.3521454E-15 GRAD(Rho)x -0.3334938E-15 GRAD(Rho)y -0.7450841E-16 GRAD(Rho)z -0.8506921E-16 Laplacian 0.4589716E+00 (-1/4)Del**2(Rho)) -0.1147429E+00 Diamond 0.6926396E+00 Metallicity 0.4260746E+01 Ellipticity 0.3102012E-01 Gb(Abramov) 0.1579770E+00 Vb(Abramov) -0.2012111E+00 Hb(Abramov) -0.4323409E-01 Ex_ueg -0.4273447E-01 Ec_ueg -0.6426314E-02 Delta_ex -0.4644863E-01 Delta_ec 0.1223117E-01 Delta_et -0.1565713E+00 Pxc 0.6649920E+01 Qxc -0.3797562E+01 3,-1 148 3 -1 0.062305 3.140487 3.269561 Rho 0.2414196E+00 |GRAD(Rho)| 0.4056431E-15 GRAD(Rho)x 0.5542984E-17 GRAD(Rho)y 0.3913970E-15 GRAD(Rho)z 0.1064144E-15 Laplacian 0.8615106E+00 (-1/4)Del**2(Rho)) -0.2153777E+00 Diamond 0.3084503E+01 Metallicity 0.7486982E+01 Ellipticity 0.1113204E-02 Gb(Abramov) 0.4123399E+00 Vb(Abramov) -0.6093021E+00 Hb(Abramov) -0.1969622E+00 Ex_ueg -0.1110236E+00 Ec_ueg -0.1453730E-01 Delta_ex -0.1043324E+00 Delta_ec 0.1914793E-01 Delta_et -0.2659504E+00 Pxc 0.7637150E+01 Qxc -0.5448755E+01 3,-1 149 3 -1 -0.062142 3.140170 -3.269657 Rho 0.2414205E+00 |GRAD(Rho)| 0.1419781E-13 GRAD(Rho)x -0.7138157E-14 GRAD(Rho)y -0.1219895E-13 GRAD(Rho)z 0.1345332E-14 Laplacian 0.8615471E+00 (-1/4)Del**2(Rho)) -0.2153868E+00 Diamond 0.3084625E+01 Metallicity 0.7486713E+01 Ellipticity 0.1115632E-02 Gb(Abramov) 0.4123477E+00 Vb(Abramov) -0.6093086E+00 Hb(Abramov) -0.1969609E+00 Ex_ueg -0.1110241E+00 Ec_ueg -0.1453737E-01 Delta_ex -0.1043368E+00 Delta_ec 0.1914851E-01 Delta_et -0.2659575E+00 Pxc 0.7637155E+01 Qxc -0.5448821E+01 3,-1 150 3 +3 1.124231 -1.097545 -1.108254 Rho 0.5230200E-02 |GRAD(Rho)| 0.6645035E-17 GRAD(Rho)x 0.1916381E-17 GRAD(Rho)y -0.5753334E-17 GRAD(Rho)z 0.2717191E-17 Laplacian 0.2038643E-01 (-1/4)Del**2(Rho)) -0.5096608E-02 Diamond 0.1503107E-03 Metallicity 0.5326833E+00 Ellipticity -0.5559771E-01 Gb(Abramov) 0.3850219E-02 Vb(Abramov) -0.2603829E-02 Hb(Abramov) 0.1246390E-02 Ex_ueg -0.6705165E-03 Ec_ueg -0.1568327E-03 Delta_ex -0.7122339E-03 Delta_ec 0.8806567E-04 Delta_et -0.7075447E-03 Pxc 0.4275363E+01 Qxc -0.8087531E+01 3,+3 151 3 -1 0.468997 -0.472517 0.469735 Rho 0.1859325E+00 |GRAD(Rho)| 0.7919480E-14 GRAD(Rho)x -0.4333339E-14 GRAD(Rho)y 0.4676814E-14 GRAD(Rho)z -0.4697631E-14 Laplacian 0.5129374E+00 (-1/4)Del**2(Rho)) -0.1282344E+00 Diamond 0.1371613E+01 Metallicity 0.8137187E+01 Ellipticity 0.2581292E-02 Gb(Abramov) 0.2594007E+00 Vb(Abramov) -0.3905671E+00 Hb(Abramov) -0.1311664E+00 Ex_ueg -0.7837764E-01 Ec_ueg -0.1078217E-01 Delta_ex -0.5831063E-01 Delta_ec 0.1266713E-01 Delta_et -0.1741019E+00 Pxc 0.7269187E+01 Qxc -0.4603302E+01 3,-1 152 3 -1 -0.028266 -0.014981 -2.906071 Rho 0.5379777E-02 |GRAD(Rho)| 0.4905001E-16 GRAD(Rho)x -0.4674533E-16 GRAD(Rho)y -0.1249233E-16 GRAD(Rho)z -0.8044879E-17 Laplacian 0.2148799E-01 (-1/4)Del**2(Rho)) -0.5371998E-02 Diamond 0.6411614E-03 Metallicity 0.5296933E+00 Ellipticity 0.2672437E+01 Gb(Abramov) 0.4055584E-02 Vb(Abramov) -0.2739170E-02 Hb(Abramov) 0.1316414E-02 Ex_ueg -0.6962055E-03 Ec_ueg -0.1632926E-03 Delta_ex -0.1157945E-02 Delta_ec 0.8093011E-03 Delta_et -0.4439645E-02 Pxc 0.4263546E+01 Qxc -0.1430797E+01 3,-1 153 3 -1 0.474527 0.474962 -0.468408 Rho 0.1880199E+00 |GRAD(Rho)| 0.2070652E-15 GRAD(Rho)x -0.1144917E-15 GRAD(Rho)y -0.1665335E-15 GRAD(Rho)z -0.4510281E-16 Laplacian 0.5208492E+00 (-1/4)Del**2(Rho)) -0.1302123E+00 Diamond 0.1410151E+01 Metallicity 0.8164085E+01 Ellipticity 0.2672184E-02 Gb(Abramov) 0.2639856E+00 Vb(Abramov) -0.3977589E+00 Hb(Abramov) -0.1337733E+00 Ex_ueg -0.7955304E-01 Ec_ueg -0.1092033E-01 Delta_ex -0.5936610E-01 Delta_ec 0.1280610E-01 Delta_et -0.1761633E+00 Pxc 0.7284856E+01 Qxc -0.4635767E+01 3,-1 154 3 +1 1.045737 2.162503 -1.427183 Rho 0.2757069E-01 |GRAD(Rho)| 0.4921256E-16 GRAD(Rho)x -0.3725416E-17 GRAD(Rho)y 0.4816660E-16 GRAD(Rho)z -0.9379561E-17 Laplacian 0.1101737E+00 (-1/4)Del**2(Rho)) -0.2754343E-01 Diamond 0.1549862E-01 Metallicity 0.1573794E+01 Ellipticity -0.2909635E+01 Gb(Abramov) 0.2558690E-01 Vb(Abramov) -0.2363037E-01 Hb(Abramov) 0.1956531E-02 Ex_ueg -0.6151512E-02 Ec_ueg -0.1218995E-02 Delta_ex -0.6939901E-02 Delta_ec 0.1701054E-02 Delta_et -0.1540314E-01 Pxc 0.5046378E+01 Qxc -0.4079766E+01 3,+1 155 3 -1 1.704589 -1.753305 0.532948 Rho 0.4774829E-01 |GRAD(Rho)| 0.7514203E-16 GRAD(Rho)x -0.6260463E-16 GRAD(Rho)y 0.3939254E-16 GRAD(Rho)z 0.1323680E-16 Laplacian 0.1942361E+00 (-1/4)Del**2(Rho)) -0.4855903E-01 Diamond 0.9145757E-01 Metallicity 0.2229528E+01 Ellipticity 0.1433533E-01 Gb(Abramov) 0.5041664E-01 Vb(Abramov) -0.5227425E-01 Hb(Abramov) -0.1857606E-02 Ex_ueg -0.1279368E-01 Ec_ueg -0.2290791E-02 Delta_ex -0.1575686E-01 Delta_ec 0.5705398E-02 Delta_et -0.5941951E-01 Pxc 0.5584831E+01 Qxc -0.2761746E+01 3,-1 156 3 -1 0.868924 -1.954366 3.013221 Rho 0.1503304E+00 |GRAD(Rho)| 0.8448897E-15 GRAD(Rho)x -0.6682209E-15 GRAD(Rho)y -0.4463118E-15 GRAD(Rho)z -0.2610081E-15 Laplacian 0.5898570E+00 (-1/4)Del**2(Rho)) -0.1474643E+00 Diamond 0.1202606E+01 Metallicity 0.4965290E+01 Ellipticity 0.4728126E-01 Gb(Abramov) 0.2203433E+00 Vb(Abramov) -0.2932224E+00 Hb(Abramov) -0.7287906E-01 Ex_ueg -0.5903565E-01 Ec_ueg -0.8464671E-02 Delta_ex -0.6342006E-01 Delta_ec 0.1503051E-01 Delta_et -0.2003151E+00 Pxc 0.6974358E+01 Qxc -0.4219422E+01 3,-1 157 3 +1 1.412821 -1.055335 2.161094 Rho 0.2773847E-01 |GRAD(Rho)| 0.5250454E-14 GRAD(Rho)x 0.3841395E-14 GRAD(Rho)y 0.2564286E-14 GRAD(Rho)z 0.2497075E-14 Laplacian 0.1111009E+00 (-1/4)Del**2(Rho)) -0.2777523E-01 Diamond 0.1610975E-01 Metallicity 0.1576521E+01 Ellipticity -0.3169624E+01 Gb(Abramov) 0.2581486E-01 Vb(Abramov) -0.2385449E-01 Hb(Abramov) 0.1960370E-02 Ex_ueg -0.6201477E-02 Ec_ueg -0.1227556E-02 Delta_ex -0.7042905E-02 Delta_ec 0.1774325E-02 Delta_et -0.1607919E-01 Pxc 0.5051888E+01 Qxc -0.3969343E+01 3,+1 158 3 -1 1.845786 -0.546141 -2.748966 Rho 0.1209576E+00 |GRAD(Rho)| 0.3215967E-15 GRAD(Rho)x 0.2178365E-15 GRAD(Rho)y 0.1938621E-15 GRAD(Rho)z 0.1356066E-15 Laplacian 0.5059004E+00 (-1/4)Del**2(Rho)) -0.1264751E+00 Diamond 0.7834185E+00 Metallicity 0.4029676E+01 Ellipticity 0.2369422E-02 Gb(Abramov) 0.1692590E+00 Vb(Abramov) -0.2120429E+00 Hb(Abramov) -0.4278391E-01 Ex_ueg -0.4418037E-01 Ec_ueg -0.6611223E-02 Delta_ex -0.5146012E-01 Delta_ec 0.1332504E-01 Delta_et -0.1711813E+00 Pxc 0.6682631E+01 Qxc -0.3861911E+01 3,-1 159 3 +1 1.671962 -0.533969 -0.535666 Rho 0.8701063E-02 |GRAD(Rho)| 0.1614574E-14 GRAD(Rho)x 0.6317446E-15 GRAD(Rho)y -0.1376612E-14 GRAD(Rho)z 0.5591864E-15 Laplacian 0.3378110E-01 (-1/4)Del**2(Rho)) -0.8445275E-02 Diamond 0.9233801E-03 Metallicity 0.7508616E+00 Ellipticity -0.1462087E+01 Gb(Abramov) 0.6687055E-02 Vb(Abramov) -0.4928836E-02 Hb(Abramov) 0.1758220E-02 Ex_ueg -0.1321746E-02 Ec_ueg -0.3095042E-03 Delta_ex -0.1549974E-02 Delta_ec 0.4791915E-03 Delta_et -0.3281997E-02 Pxc 0.4270528E+01 Qxc -0.3234562E+01 3,+1 160 3 -1 1.763312 -0.538642 1.711661 Rho 0.4237366E-01 |GRAD(Rho)| 0.4007122E-16 GRAD(Rho)x -0.2473675E-16 GRAD(Rho)y -0.2891622E-16 GRAD(Rho)z -0.1255578E-16 Laplacian 0.1787639E+00 (-1/4)Del**2(Rho)) -0.4469096E-01 Diamond 0.7386053E-01 Metallicity 0.1985303E+01 Ellipticity 0.8151427E-02 Gb(Abramov) 0.4458149E-01 Vb(Abramov) -0.4447202E-01 Hb(Abramov) 0.1094707E-03 Ex_ueg -0.1091054E-01 Ec_ueg -0.1997871E-02 Delta_ex -0.1419801E-01 Delta_ec 0.5476560E-02 Delta_et -0.5529906E-01 Pxc 0.5461086E+01 Qxc -0.2592505E+01 3,-1 161 3 +3 2.327604 -0.011036 0.000626 Rho 0.4661517E-02 |GRAD(Rho)| 0.4485408E-17 GRAD(Rho)x -0.3015924E-17 GRAD(Rho)y -0.1651050E-17 GRAD(Rho)z 0.2880473E-17 Laplacian 0.1910141E-01 (-1/4)Del**2(Rho)) -0.4775353E-02 Diamond 0.1766728E-03 Metallicity 0.4692739E+00 Ellipticity -0.3123287E+00 Gb(Abramov) 0.3557060E-02 Vb(Abramov) -0.2338767E-02 Hb(Abramov) 0.1218293E-02 Ex_ueg -0.5751150E-03 Ec_ueg -0.1323757E-03 Delta_ex -0.7038214E-03 Delta_ec 0.1851441E-03 Delta_et -0.1154054E-02 Pxc 0.4344567E+01 Qxc -0.3801480E+01 3,+3 162 3 -1 1.959652 -3.013055 0.869057 Rho 0.1487935E+00 |GRAD(Rho)| 0.2167728E-15 GRAD(Rho)x -0.2080448E-15 GRAD(Rho)y -0.5870955E-16 GRAD(Rho)z -0.1615461E-16 Laplacian 0.5868330E+00 (-1/4)Del**2(Rho)) -0.1467083E+00 Diamond 0.1180323E+01 Metallicity 0.4906125E+01 Ellipticity 0.4494095E-01 Gb(Abramov) 0.2177670E+00 Vb(Abramov) -0.2888258E+00 Hb(Abramov) -0.7105875E-01 Ex_ueg -0.5823227E-01 Ec_ueg -0.8366326E-02 Delta_ex -0.6292145E-01 Delta_ec 0.1496565E-01 Delta_et -0.1991035E+00 Pxc 0.6960315E+01 Qxc -0.4204392E+01 3,-1 163 3 -1 1.774755 -2.795432 -0.570132 Rho 0.1493811E+00 |GRAD(Rho)| 0.1310982E-13 GRAD(Rho)x 0.9784735E-14 GRAD(Rho)y 0.6213427E-15 GRAD(Rho)z 0.8702891E-14 Laplacian 0.6306263E+00 (-1/4)Del**2(Rho)) -0.1576566E+00 Diamond 0.1267793E+01 Metallicity 0.4595513E+01 Ellipticity 0.1264343E-01 Gb(Abramov) 0.2258565E+00 Vb(Abramov) -0.2940565E+00 Hb(Abramov) -0.6819994E-01 Ex_ueg -0.5853910E-01 Ec_ueg -0.8403909E-02 Delta_ex -0.6761607E-01 Delta_ec 0.1594819E-01 Delta_et -0.2120220E+00 Pxc 0.6965699E+01 Qxc -0.4239734E+01 3,-1 164 3 -1 2.037425 0.840118 -2.972014 Rho 0.1207882E+00 |GRAD(Rho)| 0.1875265E-15 GRAD(Rho)x 0.1227656E-15 GRAD(Rho)y -0.1379308E-15 GRAD(Rho)z -0.3270902E-16 Laplacian 0.4686476E+00 (-1/4)Del**2(Rho)) -0.1171619E+00 Diamond 0.7289504E+00 Metallicity 0.4339844E+01 Ellipticity 0.3481583E-01 Gb(Abramov) 0.1628520E+00 Vb(Abramov) -0.2085421E+00 Hb(Abramov) -0.4569010E-01 Ex_ueg -0.4409787E-01 Ec_ueg -0.6600698E-02 Delta_ex -0.4771384E-01 Delta_ec 0.1245336E-01 Delta_et -0.1601229E+00 Pxc 0.6680789E+01 Qxc -0.3831402E+01 3,-1 165 3 -1 1.695894 1.753067 -0.531612 Rho 0.4950846E-01 |GRAD(Rho)| 0.1037154E-08 GRAD(Rho)x -0.6604215E-09 GRAD(Rho)y -0.7168236E-09 GRAD(Rho)z -0.3545355E-09 Laplacian 0.2021255E+00 (-1/4)Del**2(Rho)) -0.5053139E-01 Diamond 0.1003121E+00 Metallicity 0.2275749E+01 Ellipticity 0.1305037E-01 Gb(Abramov) 0.5285372E-01 Vb(Abramov) -0.5517604E-01 Hb(Abramov) -0.2322329E-02 Ex_ueg -0.1342634E-01 Ec_ueg -0.2387722E-02 Delta_ex -0.1656190E-01 Delta_ec 0.5961863E-02 Delta_et -0.6268769E-01 Pxc 0.5623076E+01 Qxc -0.2777974E+01 3,-1 166 3 -1 1.761840 2.800324 0.572973 Rho 0.1555663E+00 |GRAD(Rho)| 0.1954744E-15 GRAD(Rho)x 0.1099652E-15 GRAD(Rho)y 0.4391696E-16 GRAD(Rho)z -0.1555288E-15 Laplacian 0.6533872E+00 (-1/4)Del**2(Rho)) -0.1633468E+00 Diamond 0.1376169E+01 Metallicity 0.4745718E+01 Ellipticity 0.1780030E-01 Gb(Abramov) 0.2380975E+00 Vb(Abramov) -0.3128482E+00 Hb(Abramov) -0.7475072E-01 Ex_ueg -0.6179300E-01 Ec_ueg -0.8800787E-02 Delta_ex -0.7073259E-01 Delta_ec 0.1630659E-01 Delta_et -0.2178563E+00 Pxc 0.7021303E+01 Qxc -0.4337668E+01 3,-1 167 3 -1 1.950315 3.019139 -0.874164 Rho 0.1547467E+00 |GRAD(Rho)| 0.4416917E-15 GRAD(Rho)x 0.4526544E-16 GRAD(Rho)y -0.3298685E-16 GRAD(Rho)z 0.4381261E-15 Laplacian 0.6074247E+00 (-1/4)Del**2(Rho)) -0.1518562E+00 Diamond 0.1281634E+01 Metallicity 0.5060068E+01 Ellipticity 0.5181053E-01 Gb(Abramov) 0.2293045E+00 Vb(Abramov) -0.3067529E+00 Hb(Abramov) -0.7744836E-01 Ex_ueg -0.6135928E-01 Ec_ueg -0.8748060E-02 Delta_ex -0.6577010E-01 Delta_ec 0.1535650E-01 Delta_et -0.2054505E+00 Pxc 0.7014044E+01 Qxc -0.4282884E+01 3,-1 168 3 -1 1.852191 0.549640 2.762337 Rho 0.1184808E+00 |GRAD(Rho)| 0.1322020E-15 GRAD(Rho)x -0.5861468E-17 GRAD(Rho)y 0.1011967E-15 GRAD(Rho)z 0.8486593E-16 Laplacian 0.4912654E+00 (-1/4)Del**2(Rho)) -0.1228164E+00 Diamond 0.7434257E+00 Metallicity 0.4009070E+01 Ellipticity 0.5373425E-02 Gb(Abramov) 0.1639408E+00 Vb(Abramov) -0.2050652E+00 Hb(Abramov) -0.4112444E-01 Ex_ueg -0.4297828E-01 Ec_ueg -0.6457558E-02 Delta_ex -0.4974337E-01 Delta_ec 0.1303580E-01 Delta_et -0.1669258E+00 Pxc 0.6655501E+01 Qxc -0.3815906E+01 3,-1 169 3 +1 2.893972 0.168512 -0.174675 Rho 0.5296830E-02 |GRAD(Rho)| 0.7363629E-17 GRAD(Rho)x -0.1068393E-17 GRAD(Rho)y 0.1753189E-17 GRAD(Rho)z 0.7071626E-17 Laplacian 0.2195790E-01 (-1/4)Del**2(Rho)) -0.5489476E-02 Diamond 0.5264690E-03 Metallicity 0.5051058E+00 Ellipticity -0.2495920E+01 Gb(Abramov) 0.4121778E-02 Vb(Abramov) -0.2754081E-02 Hb(Abramov) 0.1367698E-02 Ex_ueg -0.6819300E-03 Ec_ueg -0.1597089E-03 Delta_ex -0.1080884E-02 Delta_ec 0.6501787E-03 Delta_et -0.3609234E-02 Pxc 0.4269831E+01 Qxc -0.1662442E+01 3,+1 170 3 -1 2.959357 2.022153 -0.844177 Rho 0.1284737E+00 |GRAD(Rho)| 0.9073366E-16 GRAD(Rho)x -0.3157739E-17 GRAD(Rho)y -0.2808084E-16 GRAD(Rho)z -0.8622118E-16 Laplacian 0.5032621E+00 (-1/4)Del**2(Rho)) -0.1258155E+00 Diamond 0.8525209E+00 Metallicity 0.4478950E+01 Ellipticity 0.2346329E-01 Gb(Abramov) 0.1777973E+00 Vb(Abramov) -0.2297790E+00 Hb(Abramov) -0.5198174E-01 Ex_ueg -0.4787817E-01 Ec_ueg -0.7080120E-02 Delta_ex -0.5211837E-01 Delta_ec 0.1338671E-01 Delta_et -0.1742934E+00 Pxc 0.6762339E+01 Qxc -0.3893293E+01 3,-1 171 3 +1 2.894827 -0.172886 0.167389 Rho 0.5314405E-02 |GRAD(Rho)| 0.2830513E-14 GRAD(Rho)x 0.1611505E-15 GRAD(Rho)y -0.1925195E-14 GRAD(Rho)z 0.2068685E-14 Laplacian 0.2200558E-01 (-1/4)Del**2(Rho)) -0.5501394E-02 Diamond 0.5431471E-03 Metallicity 0.5068018E+00 Ellipticity -0.2823757E+01 Gb(Abramov) 0.4132282E-02 Vb(Abramov) -0.2763170E-02 Hb(Abramov) 0.1369112E-02 Ex_ueg -0.6849484E-03 Ec_ueg -0.1604679E-03 Delta_ex -0.1095226E-02 Delta_ec 0.6717323E-03 Delta_et -0.3723965E-02 Pxc 0.4268445E+01 Qxc -0.1630450E+01 3,+1 172 3 -1 3.151760 -3.252396 -0.060491 Rho 0.2524990E+00 |GRAD(Rho)| 0.7668028E-15 GRAD(Rho)x 0.7272828E-15 GRAD(Rho)y -0.2393918E-15 GRAD(Rho)z -0.4168757E-16 Laplacian 0.9196606E+00 (-1/4)Del**2(Rho)) -0.2299152E+00 Diamond 0.3443271E+01 Metallicity 0.7558198E+01 Ellipticity 0.1397690E-02 Gb(Abramov) 0.4429008E+00 Vb(Abramov) -0.6558865E+00 Hb(Abramov) -0.2129857E+00 Ex_ueg -0.1178685E+00 Ec_ueg -0.1530741E-01 Delta_ex -0.1125300E+00 Delta_ec 0.1988173E-01 Delta_et -0.2751769E+00 Pxc 0.7700098E+01 Qxc -0.5659972E+01 3,-1 173 3 -1 2.739465 1.834861 0.549342 Rho 0.1280199E+00 |GRAD(Rho)| 0.8277316E-14 GRAD(Rho)x -0.1451726E-14 GRAD(Rho)y -0.7193085E-14 GRAD(Rho)z 0.3829619E-14 Laplacian 0.5356654E+00 (-1/4)Del**2(Rho)) -0.1339163E+00 Diamond 0.9013886E+00 Metallicity 0.4183264E+01 Ellipticity 0.1379335E-01 Gb(Abramov) 0.1826455E+00 Vb(Abramov) -0.2313746E+00 Hb(Abramov) -0.4872911E-01 Ex_ueg -0.4765278E-01 Ec_ueg -0.7051696E-02 Delta_ex -0.5540024E-01 Delta_ec 0.1421286E-01 Delta_et -0.1848549E+00 Pxc 0.6757634E+01 Qxc -0.3897894E+01 3,-1 174 3 -1 2.760916 -1.838866 -0.550867 Rho 0.1348061E+00 |GRAD(Rho)| 0.1510304E-15 GRAD(Rho)x -0.1343801E-15 GRAD(Rho)y -0.6245005E-16 GRAD(Rho)z -0.2919214E-16 Laplacian 0.5644052E+00 (-1/4)Del**2(Rho)) -0.1411013E+00 Diamond 0.1009140E+01 Metallicity 0.4327178E+01 Ellipticity 0.1124461E-01 Gb(Abramov) 0.1958293E+00 Vb(Abramov) -0.2505572E+00 Hb(Abramov) -0.5472796E-01 Ex_ueg -0.5105024E-01 Ec_ueg -0.7478099E-02 Delta_ex -0.5908777E-01 Delta_ec 0.1476266E-01 Delta_et -0.1935622E+00 Pxc 0.6826633E+01 Qxc -0.4002515E+01 3,-1 175 3 -1 2.975047 -2.025304 0.846264 Rho 0.1337459E+00 |GRAD(Rho)| 0.1890922E-15 GRAD(Rho)x 0.1696370E-15 GRAD(Rho)y 0.5838429E-16 GRAD(Rho)z 0.5975309E-16 Laplacian 0.5249714E+00 (-1/4)Del**2(Rho)) -0.1312428E+00 Diamond 0.9326116E+00 Metallicity 0.4591397E+01 Ellipticity 0.2751615E-01 Gb(Abramov) 0.1879266E+00 Vb(Abramov) -0.2446103E+00 Hb(Abramov) -0.5668372E-01 Ex_ueg -0.5051561E-01 Ec_ueg -0.7411282E-02 Delta_ex -0.5488751E-01 Delta_ec 0.1381618E-01 Delta_et -0.1810402E+00 Pxc 0.6816041E+01 Qxc -0.3972697E+01 3,-1 176 3 -1 3.022536 -0.867615 1.965810 Rho 0.1389828E+00 |GRAD(Rho)| 0.3401423E-15 GRAD(Rho)x -0.2646809E-16 GRAD(Rho)y 0.1680242E-15 GRAD(Rho)z 0.2945574E-15 Laplacian 0.5442860E+00 (-1/4)Del**2(Rho)) -0.1360715E+00 Diamond 0.9974418E+00 Metallicity 0.4721220E+01 Ellipticity 0.5711432E-01 Gb(Abramov) 0.1977849E+00 Vb(Abramov) -0.2594983E+00 Hb(Abramov) -0.6171341E-01 Ex_ueg -0.5316995E-01 Ec_ueg -0.7742026E-02 Delta_ex -0.5727181E-01 Delta_ec 0.1389438E-01 Delta_et -0.1825552E+00 Pxc 0.6867706E+01 Qxc -0.4121940E+01 3,-1 177 3 -1 2.807560 -0.573956 -1.780080 Rho 0.1374268E+00 |GRAD(Rho)| 0.9467628E-16 GRAD(Rho)x -0.5085925E-16 GRAD(Rho)y 0.1992221E-16 GRAD(Rho)z 0.7733072E-16 Laplacian 0.5792763E+00 (-1/4)Del**2(Rho)) -0.1448191E+00 Diamond 0.1040228E+01 Metallicity 0.4353581E+01 Ellipticity 0.1845298E-01 Gb(Abramov) 0.2016263E+00 Vb(Abramov) -0.2584335E+00 Hb(Abramov) -0.5680723E-01 Ex_ueg -0.5237778E-01 Ec_ueg -0.7643574E-02 Delta_ex -0.6070736E-01 Delta_ec 0.1468690E-01 Delta_et -0.1923524E+00 Pxc 0.6852524E+01 Qxc -0.4133435E+01 3,-1 178 3 -1 3.133799 3.251860 0.058768 Rho 0.2513135E+00 |GRAD(Rho)| 0.8404336E-08 GRAD(Rho)x 0.5864649E-08 GRAD(Rho)y 0.5820552E-08 GRAD(Rho)z 0.1536208E-08 Laplacian 0.9191265E+00 (-1/4)Del**2(Rho)) -0.2297816E+00 Diamond 0.3420528E+01 Metallicity 0.7503505E+01 Ellipticity 0.1962234E-02 Gb(Abramov) 0.4405490E+00 Vb(Abramov) -0.6513164E+00 Hb(Abramov) -0.2107674E+00 Ex_ueg -0.1171312E+00 Ec_ueg -0.1522468E-01 Delta_ex -0.1123191E+00 Delta_ec 0.1988712E-01 Delta_et -0.2751741E+00 Pxc 0.7693509E+01 Qxc -0.5647833E+01 3,-1 179 3 -1 3.254553 -0.066321 -3.146099 Rho 0.2417549E+00 |GRAD(Rho)| 0.9169159E-15 GRAD(Rho)x 0.7920097E-15 GRAD(Rho)y -0.1684444E-15 GRAD(Rho)z -0.4302114E-15 Laplacian 0.8638930E+00 (-1/4)Del**2(Rho)) -0.2159733E+00 Diamond 0.3096701E+01 Metallicity 0.7483627E+01 Ellipticity 0.3022255E-03 Gb(Abramov) 0.4133594E+00 Vb(Abramov) -0.6107455E+00 Hb(Abramov) -0.1973861E+00 Ex_ueg -0.1112292E+00 Ec_ueg -0.1456051E-01 Delta_ex -0.1046509E+00 Delta_ec 0.1917884E-01 Delta_et -0.2663304E+00 Pxc 0.7639101E+01 Qxc -0.5456579E+01 3,-1 180 3 -1 3.260697 0.062885 3.146880 Rho 0.2419663E+00 |GRAD(Rho)| 0.1021310E-14 GRAD(Rho)x -0.7468527E-15 GRAD(Rho)y -0.1264451E-15 GRAD(Rho)z -0.6850531E-15 Laplacian 0.8623760E+00 (-1/4)Del**2(Rho)) -0.2155940E+00 Diamond 0.3095980E+01 Metallicity 0.7507719E+01 Ellipticity 0.1676753E-02 Gb(Abramov) 0.4134992E+00 Vb(Abramov) -0.6114043E+00 Hb(Abramov) -0.1979052E+00 Ex_ueg -0.1113589E+00 Ec_ueg -0.1457514E-01 Delta_ex -0.1044986E+00 Delta_ec 0.1915396E-01 Delta_et -0.2660539E+00 Pxc 0.7640329E+01 Qxc -0.5455720E+01 3,-1 181 3 -1 2.799565 0.565338 1.782838 Rho 0.1413206E+00 |GRAD(Rho)| 0.3123645E-15 GRAD(Rho)x 0.2803950E-15 GRAD(Rho)y -0.2547875E-16 GRAD(Rho)z 0.1352813E-15 Laplacian 0.5951946E+00 (-1/4)Del**2(Rho)) -0.1487987E+00 Diamond 0.1102682E+01 Metallicity 0.4439115E+01 Ellipticity 0.2137059E-01 Gb(Abramov) 0.2092882E+00 Vb(Abramov) -0.2697777E+00 Hb(Abramov) -0.6048952E-01 Ex_ueg -0.5436577E-01 Ec_ueg -0.7890241E-02 Delta_ex -0.6277501E-01 Delta_ec 0.1493689E-01 Delta_et -0.1963185E+00 Pxc 0.6890254E+01 Qxc -0.4202684E+01 3,-1 182 3 -1 3.017677 0.860104 -1.962407 Rho 0.1420751E+00 |GRAD(Rho)| 0.4534032E-15 GRAD(Rho)x 0.3119182E-15 GRAD(Rho)y 0.2439997E-15 GRAD(Rho)z 0.2207842E-15 Laplacian 0.5560118E+00 (-1/4)Del**2(Rho)) -0.1390029E+00 Diamond 0.1046360E+01 Metallicity 0.4794306E+01 Ellipticity 0.6166566E-01 Gb(Abramov) 0.2037391E+00 Vb(Abramov) -0.2684752E+00 Hb(Abramov) -0.6473612E-01 Ex_ueg -0.5475313E-01 Ec_ueg -0.7938151E-02 Delta_ex -0.5882249E-01 Delta_ec 0.1411990E-01 Delta_et -0.1861254E+00 Pxc 0.6897466E+01 Qxc -0.4165927E+01 3,-1 183 3 -1 -2.033345 -0.838858 -2.968127 Rho 0.1224332E+00 |GRAD(Rho)| 0.2752333E-15 GRAD(Rho)x -0.2042501E-15 GRAD(Rho)y -0.1572974E-15 GRAD(Rho)z 0.9639913E-16 Laplacian 0.4766660E+00 (-1/4)Del**2(Rho)) -0.1191665E+00 Diamond 0.7512478E+00 Metallicity 0.4364128E+01 Ellipticity 0.3650133E-01 Gb(Abramov) 0.1661206E+00 Vb(Abramov) -0.2130748E+00 Hb(Abramov) -0.4695413E-01 Ex_ueg -0.4490043E-01 Ec_ueg -0.6702972E-02 Delta_ex -0.4865706E-01 Delta_ec 0.1257188E-01 Delta_et -0.1619285E+00 Pxc 0.6698585E+01 Qxc -0.3870308E+01 3,-1 184 3 +1 1.354570 1.117206 -2.173089 Rho 0.2690973E-01 |GRAD(Rho)| 0.6216265E-16 GRAD(Rho)x 0.1721643E-16 GRAD(Rho)y -0.6097420E-17 GRAD(Rho)z -0.5941894E-16 Laplacian 0.1089708E+00 (-1/4)Del**2(Rho)) -0.2724270E-01 Diamond 0.1702922E-01 Metallicity 0.1528100E+01 Ellipticity -0.6300806E+01 Gb(Abramov) 0.2510006E-01 Vb(Abramov) -0.2295743E-01 Hb(Abramov) 0.2142639E-02 Ex_ueg -0.5955672E-02 Ec_ueg -0.1185338E-02 Delta_ex -0.7036002E-02 Delta_ec 0.2070032E-02 Delta_et -0.1856324E-01 Pxc 0.5024449E+01 Qxc -0.3398982E+01 3,+1 185 3 -1 2.033204 -0.838710 2.968165 Rho 0.1224287E+00 |GRAD(Rho)| 0.1004245E-11 GRAD(Rho)x 0.5835259E-12 GRAD(Rho)y 0.7028659E-12 GRAD(Rho)z -0.4171163E-12 Laplacian 0.4766505E+00 (-1/4)Del**2(Rho)) -0.1191626E+00 Diamond 0.7511894E+00 Metallicity 0.4364003E+01 Ellipticity 0.3650118E-01 Gb(Abramov) 0.1661128E+00 Vb(Abramov) -0.2130629E+00 Hb(Abramov) -0.4695014E-01 Ex_ueg -0.4489824E-01 Ec_ueg -0.6702693E-02 Delta_ex -0.4865504E-01 Delta_ec 0.1257156E-01 Delta_et -0.1619234E+00 Pxc 0.6698537E+01 Qxc -0.3870247E+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 82 124 122 121 156 140 141 123 143 142 107 115 134 146 116 125 127 147 149 117 145 119 118 110 148 155 174 163 175 162 172 165 173 166 170 167 178 90 76 97 78 92 63 55 80 84 79 83 75 54 70 98 58 183 69 77 67 109 73 100 68 160 181 168 176 185 180 135 177 158 182 164 179 151 129 153 133 65 89 152 96 95 138 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 21 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 23 24 27 28 2.377439 1.908203 1.964006 1.923481 1.971691 1.725296 2.377439 1.908120 1.963964 1.923485 1.971823 1.725302 2.416369 1.902179 1.988539 1.918629 1.997473 1.714582 2.416548 1.902223 1.988576 1.918596 1.997380 1.714585 2.387400 1.954677 1.913078 1.969957 1.926767 1.724593 2.371212 1.975120 1.897691 1.986399 1.911907 1.726288 2.371234 1.975145 1.897719 1.986280 1.911979 1.726281 2.387455 1.954755 1.913117 1.969935 1.926672 1.724597 2.416711 1.910729 1.983461 1.929861 1.982345 1.713759 2.406795 1.921607 1.974030 1.921516 1.988523 1.714047 2.416712 1.910729 1.983409 1.929880 1.982359 1.713764 2.406811 1.921704 1.974150 1.921401 1.988398 1.714038 1.698083 1.698075 1.693335 1.693308 3.263509 3.263420 3.261135 3.261296 3.262158 3.257000 2.379166 1.908671 1.964362 1.924148 1.972361 1.725300 2.379171 1.908589 1.964320 1.924152 1.972492 1.725306 2.417972 1.902782 1.989088 1.919415 1.998390 1.714598 2.418148 1.902822 1.989127 1.919377 1.998297 1.714599 2.389160 1.955052 1.913504 1.970603 1.927442 1.724596 2.372996 1.975488 1.898121 1.987053 1.912511 1.726293 2.373015 1.975525 1.898181 1.986942 1.912621 1.726286 2.389220 1.955163 1.913544 1.970603 1.927348 1.724600 2.418245 1.911296 1.984043 1.930675 1.983213 1.713772 2.408667 1.922164 1.974572 1.922345 1.989370 1.714063 2.418241 1.911282 1.983950 1.930678 1.983224 1.713776 2.408681 1.922249 1.974695 1.922216 1.989245 1.714052 1.698084 1.698080 1.693338 1.693312 3.272280 3.272189 3.270343 3.270509 3.271409 3.265973 30 27 27 28 27 23 30 27 27 27 28 23 31 27 26 26 28 23 30 27 29 27 27 25 30 23 27 23 26 20 31 23 23 23 23 22 30 27 28 27 29 23 30 27 28 28 27 23 30 27 27 27 23 23 30 28 26 26 28 23 30 23 23 23 23 21 31 23 28 23 28 21 21 23 23 25 35 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 W W W W 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 O As 2.5094 2.5094 2.3887 2.3887 2.5107 2.4854 2.4854 2.5106 2.3979 2.3830 2.3979 2.3829 -1.1408 -1.1408 -1.1361 -1.1361 -0.9151 -0.9151 -0.9129 -0.9129 -0.9216 -0.8937 -0.8937 -0.9216 -0.9209 -0.9491 -0.9209 -0.9491 -0.9036 -0.9036 -0.9001 -0.9001 -0.9108 -0.8797 -0.8797 -0.9108 -0.9430 -0.9104 -0.9430 -0.9104 -0.7385 -0.7385 -0.6597 -0.6598 -0.7367 -0.7395 -0.7395 -0.7367 -0.6580 -0.6572 -0.6580 -0.6572 2.5048 2.0819 2.0819 1.9235 1.9235 2.0827 2.0870 2.0870 2.0827 1.9378 1.9342 1.9378 1.9342 1.9361 1.9361 1.9383 1.9383 1.9397 1.9397 1.9411 1.9411 1.9385 1.9436 1.9436 1.9385 1.9391 1.9352 1.9391 1.9352 1.9512 1.9512 1.9531 1.9531 1.9497 1.9526 1.9526 1.9497 1.9492 1.9513 1.9492 1.9513 1.9746 1.9746 1.9859 1.9859 1.9750 1.9743 1.9743 1.9750 1.9863 1.9862 1.9863 1.9862 0.8043 6.0840 6.0840 6.0580 6.0580 6.0838 6.0886 6.0886 6.0838 6.0473 6.0613 6.0473 6.0613 5.1652 5.1652 5.1583 5.1582 4.9472 4.9473 4.9439 4.9439 4.9549 4.9237 4.9237 4.9549 4.9534 4.9836 4.9534 4.9836 4.9218 4.9218 4.9166 4.9167 4.9305 4.8985 4.8985 4.9305 4.9609 4.9284 4.9610 4.9284 4.7257 4.7257 4.6376 4.6376 4.7234 4.7272 4.7272 4.7234 4.6353 4.6346 4.6353 4.6346 1.1409 3.2958 3.2958 3.6298 3.6299 3.2940 3.3102 3.3102 3.2940 3.6170 3.6215 3.6170 3.6215 0.0394 0.0394 0.0396 0.0396 0.0281 0.0281 0.0279 0.0279 0.0283 0.0264 0.0264 0.0283 0.0285 0.0302 0.0285 0.0302 0.0306 0.0306 0.0303 0.0303 0.0306 0.0286 0.0286 0.0306 0.0328 0.0307 0.0328 0.0307 0.0382 0.0382 0.0362 0.0362 0.0383 0.0381 0.0381 0.0383 0.0363 0.0363 0.0363 0.0363 10.5501 14.0289 14.0289 0.0000 0.0000 14.0289 14.0288 14.0288 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 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 W W W W 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 O As 2.521079 2.521074 3.179240 3.179232 2.520950 2.517495 2.517500 2.520942 3.179619 3.181913 3.179616 3.181918 -1.139375 -1.139376 -1.175869 -1.175852 -1.057615 -1.057596 -1.058118 -1.058126 -1.045906 -1.163474 -1.163460 -1.045941 -1.040195 -0.938951 -1.040183 -0.938951 -1.022136 -1.022138 -1.020601 -1.020591 -1.010618 -1.123507 -1.123493 -1.010620 -0.908143 -1.005018 -0.908150 -1.004992 -0.761790 -0.761790 -0.924324 -0.924349 -0.759191 -0.762652 -0.762642 -0.759183 -0.923185 -0.922545 -0.923190 -0.922546 2.325805 1.958522 1.958519 2.384346 2.384343 1.959266 1.968072 1.968077 1.959274 2.381148 2.379774 2.381134 2.379780 -0.821876 -0.821884 -0.875123 -0.875120 -0.805699 -0.805668 -0.808382 -0.808368 -0.804145 -0.906556 -0.906554 -0.804139 -0.801033 -0.704132 -0.801038 -0.704120 -0.821733 -0.821725 -0.820685 -0.820673 -0.818092 -0.904030 -0.904051 -0.818091 -0.738086 -0.816710 -0.738076 -0.816703 -0.638446 -0.638441 -0.673271 -0.673296 -0.635110 -0.631551 -0.631546 -0.635096 -0.676140 -0.674069 -0.676155 -0.674063 1.687425 2.052580 2.052569 2.462162 2.462158 2.054119 2.061092 2.061106 2.054120 2.459468 2.457238 2.459458 2.457234 -0.854239 -0.854246 -0.891371 -0.891372 -0.884810 -0.884791 -0.888556 -0.888536 -0.880552 -0.980511 -0.980507 -0.880557 -0.879561 -0.785543 -0.879564 -0.785523 -0.855135 -0.855126 -0.858195 -0.858206 -0.849138 -0.938147 -0.938169 -0.849142 -0.776128 -0.854774 -0.776129 -0.854763 -0.604633 -0.604633 -0.633134 -0.633161 -0.599724 -0.594281 -0.594270 -0.599708 -0.638459 -0.633014 -0.638476 -0.633016 1.666498 -0.00174031 1.28790854 -0.00230764 1.28791178 1.75098270 -0.00064120 0.50560225 -9.30962756 -0.00212288 7.55864486 -380.5431 412.8512 -111.6562 -360.5581 -10.3124 -450.2186 Jun10-2024 19:40:54 Nodes: 1 Procs: 1 Jun10-2024 19:40:58 Nodes: 1 Procs: 1 0 Jun10-2024 19:41:02 Nodes: 1 Procs: 1 Jun10-2024 19:41:05 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 19:41:08 Nodes: 1 Procs: 1 Jun10-2024 19:41:10 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 19:41:13 Nodes: 1 Procs: 1 Jun10-2024 19:41:15 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 19:41:22 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.47185793 -16.53845237 -16.54228546 -16.54393254 -16.54443209 -16.54488049 -16.54495451 -16.54503055 -16.54506076 -16.54510544 -16.54511672 -16.54513613 -16.54518387 -16.54523074 GEOMETRY CONVERGED