ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 16:58:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 0.40 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 16:58:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.04 0.68 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 0 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 Mar10-2024 16:58:15 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 16:58:15 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.52 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 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 0 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 Mar10-2024 16:58:15 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar10-2024 16:58:15 Nodes: 1 Procs: 1 Mar10-2024 16:58:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 16:58:16 Hydrogen (TZP) kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.03 1.42 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 0 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 Mar10-2024 16:58:15 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar10-2024 16:58:15 Nodes: 1 Procs: 1 Mar10-2024 16:58:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar10-2024 16:58:16 Nodes: 1 Procs: 1 Mar10-2024 16:58:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 16:58:19 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2674.302100000006 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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 Mar10-2024 16:58:17 1 1 Tungsten TZP 4d t21.Si ADF 2019 Mar10-2024 16:58:15 1 1 Silicon TZP 1s t21.O ADF 2019 Mar10-2024 16:58:16 1 1 Oxygen TZP 1s t21.H ADF 2019 Mar10-2024 16:58:14 1 1 Hydrogen TZP 1 1 -17.05074429 0.11865448 0.00100000 F 0.03289704 0.00066667 F 0.11865448 0.03289704 0.08111030 0.01000000 F 0.02110012 0.00666667 F Cartesian 2674.302100000006 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3,-3 48 3 -3 -3.828293 -3.635874 0.255130 Rho 0.3193103E+03 3,-3 49 3 -3 -3.798934 0.307214 -3.585768 Rho 0.3192398E+03 3,-3 50 3 -3 -3.731130 -0.192740 3.781957 Rho 0.3193073E+03 3,-3 51 3 -3 3.715230 0.185174 3.729695 Rho 0.3192987E+03 3,-3 52 3 -3 1.042386 -1.898082 -2.422337 Rho 0.4294393E+00 3,-3 53 3 -3 -0.573165 -3.382089 -1.307755 Rho 0.4333239E+00 3,-3 54 3 +1 -2.190147 1.237986 1.258819 Rho 0.2884223E-01 |GRAD(Rho)| 0.1625626E-13 GRAD(Rho)x 0.1544338E-13 GRAD(Rho)y -0.3117410E-14 GRAD(Rho)z -0.4006222E-14 Laplacian 0.1106699E+00 (-1/4)Del**2(Rho)) -0.2766748E-01 Diamond 0.1702064E-01 Metallicity 0.1689007E+01 Ellipticity -0.4262409E+01 Gb(Abramov) 0.2623342E-01 Vb(Abramov) -0.2479936E-01 Hb(Abramov) 0.1434064E-02 Ex_ueg -0.6532661E-02 Ec_ueg -0.1284044E-02 Delta_ex -0.7098013E-02 Delta_ec 0.1781183E-02 Delta_et -0.1628737E-01 Pxc 0.5087568E+01 Qxc -0.3984999E+01 3,+1 55 3 +1 -0.569421 0.482080 -1.645999 Rho 0.9621543E-02 |GRAD(Rho)| 0.9294701E-13 GRAD(Rho)x 0.4132982E-13 GRAD(Rho)y -0.3766715E-13 GRAD(Rho)z -0.7424404E-13 Laplacian 0.3914094E-01 (-1/4)Del**2(Rho)) -0.9785235E-02 Diamond 0.1191861E-02 Metallicity 0.7662841E+00 Ellipticity -0.1419772E+01 Gb(Abramov) 0.7773202E-02 Vb(Abramov) -0.5761168E-02 Hb(Abramov) 0.2012033E-02 Ex_ueg -0.1511395E-02 Ec_ueg -0.3509155E-03 Delta_ex -0.1828704E-02 Delta_ec 0.5307667E-03 Delta_et -0.3749234E-02 Pxc 0.4307007E+01 Qxc -0.3445402E+01 3,+1 56 3 -1 -2.993317 0.884844 2.037922 Rho 0.1425707E+00 |GRAD(Rho)| 0.1025813E-15 GRAD(Rho)x 0.9452888E-16 GRAD(Rho)y 0.2409639E-16 GRAD(Rho)z 0.3172647E-16 Laplacian 0.5649238E+00 (-1/4)Del**2(Rho)) -0.1412309E+00 Diamond 0.1079786E+01 Metallicity 0.4746141E+01 Ellipticity 0.4925970E-01 Gb(Abramov) 0.2058710E+00 Vb(Abramov) -0.2705110E+00 Hb(Abramov) -0.6464001E-01 Ex_ueg -0.5500797E-01 Ec_ueg -0.7969643E-02 Delta_ex -0.5994630E-01 Delta_ec 0.1456607E-01 Delta_et -0.1926069E+00 Pxc 0.6902187E+01 Qxc -0.4115475E+01 3,-1 57 3 +1 -1.315677 2.171296 1.160112 Rho 0.2919478E-01 |GRAD(Rho)| 0.2954649E-16 GRAD(Rho)x 0.1113487E-16 GRAD(Rho)y -0.1549513E-16 GRAD(Rho)z -0.2255905E-16 Laplacian 0.1135560E+00 (-1/4)Del**2(Rho)) -0.2838900E-01 Diamond 0.1760049E-01 Metallicity 0.1679752E+01 Ellipticity -0.3854750E+01 Gb(Abramov) 0.2687374E-01 Vb(Abramov) -0.2535849E-01 Hb(Abramov) 0.1515253E-02 Ex_ueg -0.6639347E-02 Ec_ueg -0.1302148E-02 Delta_ex -0.7293130E-02 Delta_ec 0.1802525E-02 Delta_et -0.1653225E-01 Pxc 0.5098764E+01 Qxc -0.4046064E+01 3,+1 58 3 -1 -1.793800 -0.536813 2.809783 Rho 0.1484828E+00 |GRAD(Rho)| 0.2056253E-15 GRAD(Rho)x -0.1551764E-15 GRAD(Rho)y 0.1019692E-15 GRAD(Rho)z -0.8834215E-16 Laplacian 0.6267015E+00 (-1/4)Del**2(Rho)) -0.1566754E+00 Diamond 0.1254731E+01 Metallicity 0.4578039E+01 Ellipticity 0.1533668E-01 Gb(Abramov) 0.2239946E+00 Vb(Abramov) -0.2913138E+00 Hb(Abramov) -0.6731921E-01 Ex_ueg -0.5807021E-01 Ec_ueg -0.8346464E-02 Delta_ex -0.6713532E-01 Delta_ec 0.1594342E-01 Delta_et -0.2119420E+00 Pxc 0.6957462E+01 Qxc -0.4210849E+01 3,-1 59 3 -1 -2.793861 1.760757 -0.535068 Rho 0.1966992E+00 |GRAD(Rho)| 0.2744619E-15 GRAD(Rho)x 0.8692591E-16 GRAD(Rho)y 0.2004148E-15 GRAD(Rho)z 0.1661540E-15 Laplacian 0.8060377E+00 (-1/4)Del**2(Rho)) -0.2015094E+00 Diamond 0.2222275E+01 Metallicity 0.5687595E+01 Ellipticity 0.2119634E-01 Gb(Abramov) 0.3253569E+00 Vb(Abramov) -0.4492044E+00 Hb(Abramov) -0.1238475E+00 Ex_ueg -0.8448671E-01 Ec_ueg -0.1149743E-01 Delta_ex -0.9235874E-01 Delta_ec 0.1857100E-01 Delta_et -0.2533114E+00 Pxc 0.7348314E+01 Qxc -0.4973279E+01 3,-1 60 3 -1 -3.010234 1.969574 0.895854 Rho 0.1378972E+00 |GRAD(Rho)| 0.2070247E-15 GRAD(Rho)x 0.1370906E-15 GRAD(Rho)y -0.1230027E-15 GRAD(Rho)z 0.9452888E-16 Laplacian 0.5365775E+00 (-1/4)Del**2(Rho)) -0.1341444E+00 Diamond 0.9942012E+00 Metallicity 0.4726861E+01 Ellipticity 0.3398007E-01 Gb(Abramov) 0.1951099E+00 Vb(Abramov) -0.2560754E+00 Hb(Abramov) -0.6096552E-01 Ex_ueg -0.5261692E-01 Ec_ueg -0.7673318E-02 Delta_ex -0.5657689E-01 Delta_ec 0.1412389E-01 Delta_et -0.1861784E+00 Pxc 0.6857128E+01 Qxc -0.4005760E+01 3,-1 61 3 -1 -2.000925 -3.084602 -0.736463 Rho 0.1510515E+00 |GRAD(Rho)| 0.6848726E-14 GRAD(Rho)x -0.3709706E-14 GRAD(Rho)y 0.3699799E-14 GRAD(Rho)z 0.4410738E-14 Laplacian 0.5634158E+00 (-1/4)Del**2(Rho)) -0.1408540E+00 Diamond 0.1181317E+01 Metallicity 0.5239932E+01 Ellipticity 0.1171662E+00 Gb(Abramov) 0.2169135E+00 Vb(Abramov) -0.2929730E+00 Hb(Abramov) -0.7605954E-01 Ex_ueg -0.5941347E-01 Ec_ueg -0.8510856E-02 Delta_ex -0.6090500E-01 Delta_ec 0.1479781E-01 Delta_et -0.1984078E+00 Pxc 0.6980904E+01 Qxc -0.4115812E+01 3,-1 62 3 -1 -3.035731 -1.999854 -0.882114 Rho 0.1557036E+00 |GRAD(Rho)| 0.1661549E-13 GRAD(Rho)x 0.8799249E-14 GRAD(Rho)y -0.6617482E-14 GRAD(Rho)z 0.1244415E-13 Laplacian 0.6090891E+00 (-1/4)Del**2(Rho)) -0.1522723E+00 Diamond 0.1300759E+01 Metallicity 0.5098358E+01 Ellipticity 0.7309701E-01 Gb(Abramov) 0.2309046E+00 Vb(Abramov) -0.3095369E+00 Hb(Abramov) -0.7863232E-01 Ex_ueg -0.6186572E-01 Ec_ueg -0.8809623E-02 Delta_ex -0.6610815E-01 Delta_ec 0.1547739E-01 Delta_et -0.2074880E+00 Pxc 0.7022516E+01 Qxc -0.4271272E+01 3,-1 63 3 +1 -2.781797 -0.214885 -0.208620 Rho 0.5672485E-02 |GRAD(Rho)| 0.2681809E-14 GRAD(Rho)x -0.4663087E-15 GRAD(Rho)y -0.2083953E-14 GRAD(Rho)z -0.1622281E-14 Laplacian 0.2346301E-01 (-1/4)Del**2(Rho)) -0.5865752E-02 Diamond 0.4572628E-03 Metallicity 0.5298893E+00 Ellipticity -0.1272282E+01 Gb(Abramov) 0.4428534E-02 Vb(Abramov) -0.2991317E-02 Hb(Abramov) 0.1437217E-02 Ex_ueg -0.7471645E-03 Ec_ueg -0.1759664E-03 Delta_ex -0.1045619E-02 Delta_ec 0.4710821E-03 Delta_et -0.2763574E-02 Pxc 0.4246063E+01 Qxc -0.2219610E+01 3,+1 64 3 -1 -1.803693 -1.671384 -0.519615 Rho 0.6260506E-01 |GRAD(Rho)| 0.2257142E-11 GRAD(Rho)x 0.1448802E-11 GRAD(Rho)y 0.1558051E-11 GRAD(Rho)z -0.7537497E-12 Laplacian 0.2431458E+00 (-1/4)Del**2(Rho)) -0.6078645E-01 Diamond 0.1637172E+00 Metallicity 0.2797449E+01 Ellipticity 0.1261822E-01 Gb(Abramov) 0.6886546E-01 Vb(Abramov) -0.7694448E-01 Hb(Abramov) -0.8079015E-02 Ex_ueg -0.1835965E-01 Ec_ueg -0.3122648E-02 Delta_ex -0.2107423E-01 Delta_ec 0.7026783E-02 Delta_et -0.7838619E-01 Pxc 0.5879512E+01 Qxc -0.2999129E+01 3,-1 65 3 +1 -0.624749 -1.654236 0.518047 Rho 0.9133316E-02 |GRAD(Rho)| 0.3469117E-12 GRAD(Rho)x -0.2311353E-12 GRAD(Rho)y 0.2236334E-12 GRAD(Rho)z 0.1300473E-12 Laplacian 0.3624865E-01 (-1/4)Del**2(Rho)) -0.9062162E-02 Diamond 0.1013954E-02 Metallicity 0.7586396E+00 Ellipticity -0.1411088E+01 Gb(Abramov) 0.7187261E-02 Vb(Abramov) -0.5312359E-02 Hb(Abramov) 0.1874902E-02 Ex_ueg -0.1410013E-02 Ec_ueg -0.3289048E-03 Delta_ex -0.1665230E-02 Delta_ec 0.4810914E-03 Delta_et -0.3362496E-02 Pxc 0.4286993E+01 Qxc -0.3461359E+01 3,+1 66 3 +1 -1.777400 -1.700580 1.795322 Rho 0.1249885E-01 |GRAD(Rho)| 0.1200714E-13 GRAD(Rho)x 0.1027802E-13 GRAD(Rho)y -0.4712425E-14 GRAD(Rho)z 0.4040637E-14 Laplacian 0.6286657E-01 (-1/4)Del**2(Rho)) -0.1571664E-01 Diamond 0.2633607E-02 Metallicity 0.7378649E+00 Ellipticity -0.1251934E+01 Gb(Abramov) 0.1241055E-01 Vb(Abramov) -0.9104467E-02 Hb(Abramov) 0.3306088E-02 Ex_ueg -0.2142291E-02 Ec_ueg -0.4826464E-03 Delta_ex -0.3115328E-02 Delta_ec 0.8012370E-03 Delta_et -0.6079071E-02 Pxc 0.4438635E+01 Qxc -0.3888148E+01 3,+1 67 3 +1 -1.734740 -0.464402 0.569745 Rho 0.9747140E-02 |GRAD(Rho)| 0.2261071E-14 GRAD(Rho)x -0.1373075E-14 GRAD(Rho)y -0.1648890E-14 GRAD(Rho)z -0.7129289E-15 Laplacian 0.3947864E-01 (-1/4)Del**2(Rho)) -0.9869660E-02 Diamond 0.1199287E-02 Metallicity 0.7763300E+00 Ellipticity -0.1407916E+01 Gb(Abramov) 0.7856792E-02 Vb(Abramov) -0.5843924E-02 Hb(Abramov) 0.2012868E-02 Ex_ueg -0.1537758E-02 Ec_ueg -0.3565943E-03 Delta_ex -0.1841367E-02 Delta_ec 0.5187727E-03 Delta_et -0.3689915E-02 Pxc 0.4312347E+01 Qxc -0.3549468E+01 3,+1 68 3 +3 -1.130841 -1.076093 1.144053 Rho 0.5257614E-02 |GRAD(Rho)| 0.1343213E-14 GRAD(Rho)x -0.6262561E-15 GRAD(Rho)y -0.1036374E-14 GRAD(Rho)z 0.5813359E-15 Laplacian 0.2082396E-01 (-1/4)Del**2(Rho)) -0.5205990E-02 Diamond 0.1521842E-03 Metallicity 0.5260548E+00 Ellipticity -0.1238953E+00 Gb(Abramov) 0.3927099E-02 Vb(Abramov) -0.2648209E-02 Hb(Abramov) 0.1278891E-02 Ex_ueg -0.6752065E-03 Ec_ueg -0.1580158E-03 Delta_ex -0.7264472E-03 Delta_ec 0.8614595E-04 Delta_et -0.7038872E-03 Pxc 0.4273033E+01 Qxc -0.8432750E+01 3,+3 69 3 +1 -0.260226 -0.491829 -3.036543 Rho 0.3890915E-02 |GRAD(Rho)| 0.8895005E-17 GRAD(Rho)x -0.4853482E-17 GRAD(Rho)y -0.7301848E-17 GRAD(Rho)z -0.1499283E-17 Laplacian 0.1524194E-01 (-1/4)Del**2(Rho)) -0.3810485E-02 Diamond 0.2045212E-03 Metallicity 0.4351703E+00 Ellipticity -0.1539997E+01 Gb(Abramov) 0.2816692E-02 Vb(Abramov) -0.1822898E-02 Hb(Abramov) 0.9937934E-03 Ex_ueg -0.4519816E-03 Ec_ueg -0.9950110E-04 Delta_ex -0.6587791E-03 Delta_ec 0.3658510E-03 Delta_et -0.1889430E-02 Pxc 0.4542478E+01 Qxc -0.1800676E+01 3,+1 70 3 +1 -2.269493 -1.224755 -1.272343 Rho 0.3271743E-01 |GRAD(Rho)| 0.3571628E-16 GRAD(Rho)x -0.1830845E-16 GRAD(Rho)y -0.3015008E-16 GRAD(Rho)z 0.5605876E-17 Laplacian 0.1321855E+00 (-1/4)Del**2(Rho)) -0.3304638E-01 Diamond 0.2396319E-01 Metallicity 0.1744728E+01 Ellipticity -0.4086081E+01 Gb(Abramov) 0.3164041E-01 Vb(Abramov) -0.3023445E-01 Hb(Abramov) 0.1405967E-02 Ex_ueg -0.7728418E-02 Ec_ueg -0.1484608E-02 Delta_ex -0.8756845E-02 Delta_ec 0.2096268E-02 Delta_et -0.1973330E-01 Pxc 0.5205695E+01 Qxc -0.4177350E+01 3,+1 71 3 +1 -1.730845 0.537091 -0.456828 Rho 0.1008329E-01 |GRAD(Rho)| 0.7195324E-17 GRAD(Rho)x -0.2386346E-17 GRAD(Rho)y 0.3945800E-17 GRAD(Rho)z 0.5523468E-17 Laplacian 0.4047193E-01 (-1/4)Del**2(Rho)) -0.1011798E-01 Diamond 0.1290490E-02 Metallicity 0.8013028E+00 Ellipticity -0.1433537E+01 Gb(Abramov) 0.8096583E-02 Vb(Abramov) -0.6075184E-02 Hb(Abramov) 0.2021400E-02 Ex_ueg -0.1608873E-02 Ec_ueg -0.3718263E-03 Delta_ex -0.1905345E-02 Delta_ec 0.5335803E-03 Delta_et -0.3826058E-02 Pxc 0.4326947E+01 Qxc -0.3570868E+01 3,+1 72 3 +1 -0.546376 -0.525876 1.690719 Rho 0.8753197E-02 |GRAD(Rho)| 0.1450895E-14 GRAD(Rho)x 0.3677854E-15 GRAD(Rho)y -0.1274447E-14 GRAD(Rho)z 0.5878910E-15 Laplacian 0.3492126E-01 (-1/4)Del**2(Rho)) -0.8730316E-02 Diamond 0.9197249E-03 Metallicity 0.7336142E+00 Ellipticity -0.1386755E+01 Gb(Abramov) 0.6887658E-02 Vb(Abramov) -0.5045000E-02 Hb(Abramov) 0.1842658E-02 Ex_ueg -0.1332316E-02 Ec_ueg -0.3118398E-03 Delta_ex -0.1585954E-02 Delta_ec 0.4618724E-03 Delta_et -0.3195091E-02 Pxc 0.4272439E+01 Qxc -0.3433750E+01 3,+1 73 3 +1 2.113127 -1.337243 1.110715 Rho 0.2744918E-01 |GRAD(Rho)| 0.2124139E-16 GRAD(Rho)x -0.6911665E-17 GRAD(Rho)y 0.2000014E-16 GRAD(Rho)z 0.1849327E-17 Laplacian 0.1060017E+00 (-1/4)Del**2(Rho)) -0.2650044E-01 Diamond 0.1532336E-01 Metallicity 0.1623737E+01 Ellipticity -0.3874195E+01 Gb(Abramov) 0.2483858E-01 Vb(Abramov) -0.2317673E-01 Hb(Abramov) 0.1661854E-02 Ex_ueg -0.6115391E-02 Ec_ueg -0.1212800E-02 Delta_ex -0.6717236E-02 Delta_ec 0.1722623E-02 Delta_et -0.1556714E-01 Pxc 0.5042374E+01 Qxc -0.3899424E+01 3,+1 74 3 +3 -0.004625 -0.033431 2.290516 Rho 0.4973346E-02 |GRAD(Rho)| 0.8326777E-16 GRAD(Rho)x 0.5280706E-16 GRAD(Rho)y -0.4812616E-16 GRAD(Rho)z -0.4276457E-16 Laplacian 0.2067293E-01 (-1/4)Del**2(Rho)) -0.5168232E-02 Diamond 0.1883823E-03 Metallicity 0.4830132E+00 Ellipticity -0.2672209E+00 Gb(Abramov) 0.3861542E-02 Vb(Abramov) -0.2554852E-02 Hb(Abramov) 0.1306690E-02 Ex_ueg -0.6269746E-03 Ec_ueg -0.1457660E-03 Delta_ex -0.7553256E-03 Delta_ec 0.1663197E-03 Delta_et -0.1097868E-02 Pxc 0.4301242E+01 Qxc -0.4541408E+01 3,+3 75 3 -1 -0.037902 0.024951 2.928828 Rho 0.6012397E-02 |GRAD(Rho)| 0.8401352E-14 GRAD(Rho)x -0.5547991E-14 GRAD(Rho)y 0.5794555E-14 GRAD(Rho)z 0.2495125E-14 Laplacian 0.2434043E-01 (-1/4)Del**2(Rho)) -0.6085107E-02 Diamond 0.8337820E-03 Metallicity 0.5628132E+00 Ellipticity 0.2525292E+01 Gb(Abramov) 0.4627534E-02 Vb(Abramov) -0.3169962E-02 Hb(Abramov) 0.1457573E-02 Ex_ueg -0.8074492E-03 Ec_ueg -0.1907372E-03 Delta_ex -0.1331884E-02 Delta_ec 0.9043930E-03 Delta_et -0.5136326E-02 Pxc 0.4233308E+01 Qxc -0.1472683E+01 3,-1 76 3 +3 -1.139269 1.093467 -1.097078 Rho 0.5339983E-02 |GRAD(Rho)| 0.3375352E-17 GRAD(Rho)x -0.8609389E-19 GRAD(Rho)y 0.7548842E-18 GRAD(Rho)z 0.3288729E-17 Laplacian 0.2103996E-01 (-1/4)Del**2(Rho)) -0.5259990E-02 Diamond 0.1545319E-03 Metallicity 0.5343199E+00 Ellipticity -0.2107245E+00 Gb(Abramov) 0.3975080E-02 Vb(Abramov) -0.2690169E-02 Hb(Abramov) 0.1284911E-02 Ex_ueg -0.6893475E-03 Ec_ueg -0.1615729E-03 Delta_ex -0.7350171E-03 Delta_ec 0.8317207E-04 Delta_et -0.6931075E-03 Pxc 0.4266481E+01 Qxc -0.8837306E+01 3,+3 77 3 -1 -0.447928 0.376838 0.390425 Rho 0.1355816E+00 |GRAD(Rho)| 0.1037633E-15 GRAD(Rho)x -0.2408215E-16 GRAD(Rho)y -0.5891821E-16 GRAD(Rho)z -0.8194832E-16 Laplacian 0.7076093E+00 (-1/4)Del**2(Rho)) -0.1769023E+00 Diamond 0.1535809E+01 Metallicity 0.3484611E+01 Ellipticity 0.3873622E-02 Gb(Abramov) 0.2206742E+00 Vb(Abramov) -0.2644460E+00 Hb(Abramov) -0.4377185E-01 Ex_ueg -0.5144219E-01 Ec_ueg -0.7527020E-02 Delta_ex -0.7716775E-01 Delta_ec 0.2381207E-01 Delta_et -0.3230364E+00 Pxc 0.6834337E+01 Qxc -0.3240699E+01 3,-1 78 3 +1 -0.195762 0.185204 2.919171 Rho 0.5973058E-02 |GRAD(Rho)| 0.1201744E-16 GRAD(Rho)x 0.1143930E-16 GRAD(Rho)y 0.3629056E-17 GRAD(Rho)z 0.6255311E-18 Laplacian 0.2492290E-01 (-1/4)Del**2(Rho)) -0.6230726E-02 Diamond 0.6951992E-03 Metallicity 0.5436789E+00 Ellipticity -0.2748867E+01 Gb(Abramov) 0.4718403E-02 Vb(Abramov) -0.3206080E-02 Hb(Abramov) 0.1512323E-02 Ex_ueg -0.8004129E-03 Ec_ueg -0.1890249E-03 Delta_ex -0.1251444E-02 Delta_ec 0.7284942E-03 Delta_et -0.4195169E-02 Pxc 0.4234432E+01 Qxc -0.1717851E+01 3,+1 79 3 +1 -0.549322 1.658691 -0.495486 Rho 0.9163918E-02 |GRAD(Rho)| 0.5205457E-17 GRAD(Rho)x 0.3919519E-17 GRAD(Rho)y 0.2332453E-17 GRAD(Rho)z 0.2508749E-17 Laplacian 0.3624147E-01 (-1/4)Del**2(Rho)) -0.9060368E-02 Diamond 0.9975214E-03 Metallicity 0.7630319E+00 Ellipticity -0.1393879E+01 Gb(Abramov) 0.7192470E-02 Vb(Abramov) -0.5324572E-02 Hb(Abramov) 0.1867898E-02 Ex_ueg -0.1416315E-02 Ec_ueg -0.3302814E-03 Delta_ex -0.1657691E-02 Delta_ec 0.4655687E-03 Delta_et -0.3269765E-02 Pxc 0.4288208E+01 Qxc -0.3560573E+01 3,+1 80 3 -1 -0.556817 1.736343 -2.731945 Rho 0.1541774E+00 |GRAD(Rho)| 0.1484054E-15 GRAD(Rho)x 0.8768485E-16 GRAD(Rho)y 0.1141665E-15 GRAD(Rho)z 0.3607683E-16 Laplacian 0.6620578E+00 (-1/4)Del**2(Rho)) -0.1655144E+00 Diamond 0.1385064E+01 Metallicity 0.4614078E+01 Ellipticity 0.1825687E-01 Gb(Abramov) 0.2376257E+00 Vb(Abramov) -0.3097370E+00 Hb(Abramov) -0.7211127E-01 Ex_ueg -0.6105846E-01 Ec_ueg -0.8711459E-02 Delta_ex -0.7156600E-01 Delta_ec 0.1665586E-01 Delta_et -0.2224909E+00 Pxc 0.7008982E+01 Qxc -0.4296747E+01 3,-1 81 3 +1 2.150799 1.190562 -1.220072 Rho 0.2633592E-01 |GRAD(Rho)| 0.1778551E-14 GRAD(Rho)x 0.1583896E-14 GRAD(Rho)y 0.2078150E-15 GRAD(Rho)z -0.7818761E-15 Laplacian 0.1009427E+00 (-1/4)Del**2(Rho)) -0.2523567E-01 Diamond 0.1413854E-01 Metallicity 0.1591424E+01 Ellipticity -0.4416642E+01 Gb(Abramov) 0.2351723E-01 Vb(Abramov) -0.2179878E-01 Hb(Abramov) 0.1718449E-02 Ex_ueg -0.5786951E-02 Ec_ueg -0.1156208E-02 Delta_ex -0.6361610E-02 Delta_ec 0.1704831E-02 Delta_et -0.1524246E-01 Pxc 0.5005111E+01 Qxc -0.3731519E+01 3,+1 82 3 +3 -0.004940 2.284560 0.033059 Rho 0.4922551E-02 |GRAD(Rho)| 0.1356365E-14 GRAD(Rho)x -0.5452392E-15 GRAD(Rho)y -0.9602748E-15 GRAD(Rho)z 0.7875985E-15 Laplacian 0.2047210E-01 (-1/4)Del**2(Rho)) -0.5118026E-02 Diamond 0.1826274E-03 Metallicity 0.4794770E+00 Ellipticity -0.2846006E+00 Gb(Abramov) 0.3821013E-02 Vb(Abramov) -0.2524000E-02 Hb(Abramov) 0.1297013E-02 Ex_ueg -0.6184511E-03 Ec_ueg -0.1435814E-03 Delta_ex -0.7447121E-03 Delta_ec 0.1624414E-03 Delta_et -0.1073354E-02 Pxc 0.4307321E+01 Qxc -0.4584496E+01 3,+3 83 3 +1 0.491753 1.681392 0.508771 Rho 0.8315629E-02 |GRAD(Rho)| 0.4064738E-17 GRAD(Rho)x 0.3435919E-17 GRAD(Rho)y 0.4444524E-19 GRAD(Rho)z -0.2171308E-17 Laplacian 0.3326179E-01 (-1/4)Del**2(Rho)) -0.8315449E-02 Diamond 0.8301540E-03 Metallicity 0.7071192E+00 Ellipticity -0.1382041E+01 Gb(Abramov) 0.6523635E-02 Vb(Abramov) -0.4731821E-02 Hb(Abramov) 0.1791814E-02 Ex_ueg -0.1244262E-02 Ec_ueg -0.2922746E-03 Delta_ex -0.1497191E-02 Delta_ec 0.4511260E-03 Delta_et -0.3070739E-02 Pxc 0.4257168E+01 Qxc -0.3318787E+01 3,+1 84 3 -1 0.535725 1.780676 2.741491 Rho 0.1436369E+00 |GRAD(Rho)| 0.6256582E-14 GRAD(Rho)x -0.4282951E-14 GRAD(Rho)y 0.4505416E-14 GRAD(Rho)z -0.7087836E-15 Laplacian 0.6056803E+00 (-1/4)Del**2(Rho)) -0.1514201E+00 Diamond 0.1165140E+01 Metallicity 0.4482084E+01 Ellipticity 0.1153279E-01 Gb(Abramov) 0.2140596E+00 Vb(Abramov) -0.2766992E+00 Hb(Abramov) -0.6263955E-01 Ex_ueg -0.5555715E-01 Ec_ueg -0.8037439E-02 Delta_ex -0.6435693E-01 Delta_ec 0.1553280E-01 Delta_et -0.2054963E+00 Pxc 0.6912295E+01 Qxc -0.4143292E+01 3,-1 85 3 -1 -0.556461 2.744358 -1.751458 Rho 0.1514236E+00 |GRAD(Rho)| 0.1999380E-15 GRAD(Rho)x 0.8082727E-16 GRAD(Rho)y 0.1716428E-16 GRAD(Rho)z -0.1820646E-15 Laplacian 0.6324367E+00 (-1/4)Del**2(Rho)) -0.1581092E+00 Diamond 0.1293690E+01 Metallicity 0.4687256E+01 Ellipticity 0.1561230E-01 Gb(Abramov) 0.2289225E+00 Vb(Abramov) -0.2997358E+00 Hb(Abramov) -0.7081329E-01 Ex_ueg -0.5960871E-01 Ec_ueg -0.8534706E-02 Delta_ex -0.6805048E-01 Delta_ec 0.1596366E-01 Delta_et -0.2126802E+00 Pxc 0.6984273E+01 Qxc -0.4262838E+01 3,-1 86 3 +1 0.197618 2.925109 -0.172680 Rho 0.6003788E-02 |GRAD(Rho)| 0.6398932E-12 GRAD(Rho)x 0.4345926E-12 GRAD(Rho)y 0.1708882E-12 GRAD(Rho)z -0.4374812E-12 Laplacian 0.2505641E-01 (-1/4)Del**2(Rho)) -0.6264102E-02 Diamond 0.7039945E-03 Metallicity 0.5454270E+00 Ellipticity -0.2708332E+01 Gb(Abramov) 0.4745503E-02 Vb(Abramov) -0.3226904E-02 Hb(Abramov) 0.1518599E-02 Ex_ueg -0.8059082E-03 Ec_ueg -0.1903624E-03 Delta_ex -0.1259624E-02 Delta_ec 0.7326882E-03 Delta_et -0.4225627E-02 Pxc 0.4233547E+01 Qxc -0.1719181E+01 3,+1 87 3 +1 -0.202610 2.941528 0.224709 Rho 0.5909607E-02 |GRAD(Rho)| 0.1581531E-15 GRAD(Rho)x -0.8936128E-16 GRAD(Rho)y 0.9580755E-17 GRAD(Rho)z 0.1301352E-15 Laplacian 0.2477500E-01 (-1/4)Del**2(Rho)) -0.6193749E-02 Diamond 0.6338408E-03 Metallicity 0.5372757E+00 Ellipticity -0.2030127E+01 Gb(Abramov) 0.4683791E-02 Vb(Abramov) -0.3173833E-02 Hb(Abramov) 0.1509958E-02 Ex_ueg -0.7890959E-03 Ec_ueg -0.1862645E-03 Delta_ex -0.1206129E-02 Delta_ec 0.6613329E-03 Delta_et -0.3823120E-02 Pxc 0.4236427E+01 Qxc -0.1823784E+01 3,+1 88 3 -1 0.546209 2.774631 1.787450 Rho 0.1359877E+00 |GRAD(Rho)| 0.3432811E-15 GRAD(Rho)x 0.8947378E-16 GRAD(Rho)y -0.2264627E-16 GRAD(Rho)z -0.3306410E-15 Laplacian 0.5705351E+00 (-1/4)Del**2(Rho)) -0.1426338E+00 Diamond 0.1036717E+01 Metallicity 0.4343401E+01 Ellipticity 0.1009403E-01 Gb(Abramov) 0.1983418E+00 Vb(Abramov) -0.2540498E+00 Hb(Abramov) -0.5570802E-01 Ex_ueg -0.5164771E-01 Ec_ueg -0.7552649E-02 Delta_ex -0.5992250E-01 Delta_ec 0.1501055E-01 Delta_et -0.1973184E+00 Pxc 0.6838356E+01 Qxc -0.3992025E+01 3,-1 89 3 -1 -0.067262 3.116240 -3.148851 Rho 0.2396072E+00 |GRAD(Rho)| 0.8715963E-15 GRAD(Rho)x -0.6282952E-16 GRAD(Rho)y 0.1362842E-15 GRAD(Rho)z -0.8585797E-15 Laplacian 0.9009563E+00 (-1/4)Del**2(Rho)) -0.2252391E+00 Diamond 0.3153849E+01 Metallicity 0.7069835E+01 Ellipticity 0.1651122E-02 Gb(Abramov) 0.4155599E+00 Vb(Abramov) -0.6058807E+00 Hb(Abramov) -0.1903208E+00 Ex_ueg -0.1099136E+00 Ec_ueg -0.1441197E-01 Delta_ex -0.1086670E+00 Delta_ec 0.1966205E-01 Delta_et -0.2712345E+00 Pxc 0.7626554E+01 Qxc -0.5526737E+01 3,-1 90 3 +1 -1.739330 1.705987 -1.715792 Rho 0.1144115E-01 |GRAD(Rho)| 0.2521195E-16 GRAD(Rho)x 0.2134428E-16 GRAD(Rho)y 0.3568629E-17 GRAD(Rho)z -0.1293558E-16 Laplacian 0.5554173E-01 (-1/4)Del**2(Rho)) -0.1388543E-01 Diamond 0.2115613E-02 Metallicity 0.7207361E+00 Ellipticity -0.1292462E+01 Gb(Abramov) 0.1092491E-01 Vb(Abramov) -0.7964389E-02 Hb(Abramov) 0.2960522E-02 Ex_ueg -0.1904047E-02 Ec_ueg -0.4338322E-03 Delta_ex -0.2705570E-02 Delta_ec 0.7379189E-03 Delta_et -0.5455474E-02 Pxc 0.4388903E+01 Qxc -0.3666487E+01 3,+1 91 3 -1 0.041464 2.940633 -0.016635 Rho 0.6045345E-02 |GRAD(Rho)| 0.6467792E-16 GRAD(Rho)x 0.4377749E-16 GRAD(Rho)y -0.2358668E-16 GRAD(Rho)z -0.4135738E-16 Laplacian 0.2442400E-01 (-1/4)Del**2(Rho)) -0.6105999E-02 Diamond 0.8514855E-03 Metallicity 0.5660198E+00 Ellipticity 0.2165875E+01 Gb(Abramov) 0.4646685E-02 Vb(Abramov) -0.3187372E-02 Hb(Abramov) 0.1459314E-02 Ex_ueg -0.8133545E-03 Ec_ueg -0.1921720E-03 Delta_ex -0.1344074E-02 Delta_ec 0.9186588E-03 Delta_et -0.5222298E-02 Pxc 0.4232430E+01 Qxc -0.1463083E+01 3,-1 92 3 -1 0.062314 3.172671 3.184342 Rho 0.2392588E+00 |GRAD(Rho)| 0.5241217E-15 GRAD(Rho)x 0.7098814E-16 GRAD(Rho)y -0.3913970E-16 GRAD(Rho)z 0.5178150E-15 Laplacian 0.8933427E+00 (-1/4)Del**2(Rho)) -0.2233357E+00 Diamond 0.3128017E+01 Metallicity 0.7112817E+01 Ellipticity 0.4859269E-02 Gb(Abramov) 0.4136481E+00 Vb(Abramov) -0.6039605E+00 Hb(Abramov) -0.1903124E+00 Ex_ueg -0.1097006E+00 Ec_ueg -0.1438789E-01 Delta_ex -0.1077413E+00 Delta_ec 0.1956441E-01 Delta_et -0.2701437E+00 Pxc 0.7624508E+01 Qxc -0.5507005E+01 3,-1 93 3 -1 -0.547353 1.708411 1.719548 Rho 0.5275146E-01 |GRAD(Rho)| 0.5190542E-14 GRAD(Rho)x -0.3826410E-14 GRAD(Rho)y -0.3476211E-14 GRAD(Rho)z 0.4650486E-15 Laplacian 0.2043887E+00 (-1/4)Del**2(Rho)) -0.5109717E-01 Diamond 0.1088078E+00 Metallicity 0.2501577E+01 Ellipticity 0.1655733E-01 Gb(Abramov) 0.5536869E-01 Vb(Abramov) -0.5964022E-01 Hb(Abramov) -0.4271525E-02 Ex_ueg -0.1461160E-01 Ec_ueg -0.2567520E-02 Delta_ex -0.1694713E-01 Delta_ec 0.5899136E-02 Delta_et -0.6301510E-01 Pxc 0.5690939E+01 Qxc -0.2872816E+01 3,-1 94 3 +1 0.404436 -0.756548 -1.758140 Rho 0.5708968E-02 |GRAD(Rho)| 0.5912053E-16 GRAD(Rho)x 0.2855135E-16 GRAD(Rho)y -0.4887970E-16 GRAD(Rho)z -0.1705380E-16 Laplacian 0.2242522E-01 (-1/4)Del**2(Rho)) -0.5606305E-02 Diamond 0.4737353E-03 Metallicity 0.5603668E+00 Ellipticity -0.1696411E+01 Gb(Abramov) 0.4261135E-02 Vb(Abramov) -0.2915964E-02 Hb(Abramov) 0.1345170E-02 Ex_ueg -0.7535785E-03 Ec_ueg -0.1775490E-03 Delta_ex -0.1026409E-02 Delta_ec 0.4959469E-03 Delta_et -0.2886224E-02 Pxc 0.4244341E+01 Qxc -0.2069595E+01 3,+1 95 3 +1 1.650041 -0.534251 -0.529399 Rho 0.8535800E-02 |GRAD(Rho)| 0.2375899E-13 GRAD(Rho)x -0.1463450E-13 GRAD(Rho)y -0.1809658E-14 GRAD(Rho)z 0.1862917E-13 Laplacian 0.3412723E-01 (-1/4)Del**2(Rho)) -0.8531808E-02 Diamond 0.8710986E-03 Metallicity 0.7198673E+00 Ellipticity -0.1378398E+01 Gb(Abramov) 0.6711501E-02 Vb(Abramov) -0.4891193E-02 Hb(Abramov) 0.1820308E-02 Ex_ueg -0.1288380E-02 Ec_ueg -0.3021086E-03 Delta_ex -0.1541133E-02 Delta_ec 0.4534836E-03 Delta_et -0.3115349E-02 Pxc 0.4264627E+01 Qxc -0.3398433E+01 3,+1 96 3 +3 2.273785 -0.010756 0.023643 Rho 0.4606787E-02 |GRAD(Rho)| 0.2152196E-13 GRAD(Rho)x 0.1056966E-13 GRAD(Rho)y -0.1768400E-13 GRAD(Rho)z -0.6225219E-14 Laplacian 0.1913115E-01 (-1/4)Del**2(Rho)) -0.4782789E-02 Diamond 0.1583047E-03 Metallicity 0.4594118E+00 Ellipticity -0.2605779E+00 Gb(Abramov) 0.3554737E-02 Vb(Abramov) -0.2326686E-02 Hb(Abramov) 0.1228051E-02 Ex_ueg -0.5661296E-03 Ec_ueg -0.1300307E-03 Delta_ex -0.6864107E-03 Delta_ec 0.1561598E-03 Delta_et -0.1009360E-02 Pxc 0.4353816E+01 Qxc -0.4395566E+01 3,+3 97 3 +1 1.656415 0.487546 0.522823 Rho 0.7984153E-02 |GRAD(Rho)| 0.3059930E-16 GRAD(Rho)x -0.1099344E-16 GRAD(Rho)y -0.2855100E-16 GRAD(Rho)z 0.5495750E-18 Laplacian 0.3165107E-01 (-1/4)Del**2(Rho)) -0.7912767E-02 Diamond 0.7529929E-03 Metallicity 0.6943943E+00 Ellipticity -0.1383495E+01 Gb(Abramov) 0.6190941E-02 Vb(Abramov) -0.4469116E-02 Hb(Abramov) 0.1721826E-02 Ex_ueg -0.1178574E-02 Ec_ueg -0.2775102E-03 Delta_ex -0.1412874E-02 Delta_ec 0.4342820E-03 Delta_et -0.2921205E-02 Pxc 0.4246957E+01 Qxc -0.3253356E+01 3,+1 98 3 +1 0.170492 -0.186429 2.930652 Rho 0.5928737E-02 |GRAD(Rho)| 0.4941206E-17 GRAD(Rho)x 0.4071674E-17 GRAD(Rho)y 0.2699184E-17 GRAD(Rho)z -0.7425542E-18 Laplacian 0.2477428E-01 (-1/4)Del**2(Rho)) -0.6193570E-02 Diamond 0.6622484E-03 Metallicity 0.5401932E+00 Ellipticity -0.2309716E+01 Gb(Abramov) 0.4686667E-02 Vb(Abramov) -0.3179765E-02 Hb(Abramov) 0.1506903E-02 Ex_ueg -0.7925037E-03 Ec_ueg -0.1870965E-03 Delta_ex -0.1225892E-02 Delta_ec 0.6952091E-03 Delta_et -0.4006971E-02 Pxc 0.4235802E+01 Qxc -0.1763343E+01 3,+1 99 3 -1 0.325466 0.361495 -0.409046 Rho 0.1371554E+00 |GRAD(Rho)| 0.5260803E-12 GRAD(Rho)x -0.2754341E-12 GRAD(Rho)y -0.3301102E-12 GRAD(Rho)z 0.3031894E-12 Laplacian 0.7167750E+00 (-1/4)Del**2(Rho)) -0.1791938E+00 Diamond 0.1575897E+01 Metallicity 0.3506860E+01 Ellipticity 0.2984845E-02 Gb(Abramov) 0.2241971E+00 Vb(Abramov) -0.2692004E+00 Hb(Abramov) -0.4500331E-01 Ex_ueg -0.5223988E-01 Ec_ueg -0.7626415E-02 Delta_ex -0.7835614E-01 Delta_ec 0.2402964E-01 Delta_et -0.3267045E+00 Pxc 0.6849861E+01 Qxc -0.3260812E+01 3,-1 100 3 +1 0.491072 0.465938 1.656497 Rho 0.8854899E-02 |GRAD(Rho)| 0.1853269E-16 GRAD(Rho)x 0.1400287E-16 GRAD(Rho)y -0.1078539E-16 GRAD(Rho)z 0.5572760E-17 Laplacian 0.3583358E-01 (-1/4)Del**2(Rho)) -0.8958395E-02 Diamond 0.9767576E-03 Metallicity 0.7288345E+00 Ellipticity -0.1395967E+01 Gb(Abramov) 0.7060461E-02 Vb(Abramov) -0.5162528E-02 Hb(Abramov) 0.1897934E-02 Ex_ueg -0.1352996E-02 Ec_ueg -0.3163994E-03 Delta_ex -0.1640018E-02 Delta_ec 0.4878744E-03 Delta_et -0.3372885E-02 Pxc 0.4276229E+01 Qxc -0.3361559E+01 3,+1 101 3 +3 1.076521 1.072551 1.053078 Rho 0.4763886E-02 |GRAD(Rho)| 0.6707886E-17 GRAD(Rho)x 0.2137534E-18 GRAD(Rho)y -0.2648438E-17 GRAD(Rho)z -0.6159206E-17 Laplacian 0.1893650E-01 (-1/4)Del**2(Rho)) -0.4734124E-02 Diamond 0.1273792E-03 Metallicity 0.4908128E+00 Ellipticity -0.1853098E+00 Gb(Abramov) 0.3543344E-02 Vb(Abramov) -0.2352564E-02 Hb(Abramov) 0.1190780E-02 Ex_ueg -0.5920162E-03 Ec_ueg -0.1367661E-03 Delta_ex -0.6491089E-03 Delta_ec 0.8980828E-04 Delta_et -0.6865021E-03 Pxc 0.4328678E+01 Qxc -0.7227717E+01 3,+3 102 3 +1 0.327482 -1.744975 -0.681015 Rho 0.7258937E-02 |GRAD(Rho)| 0.1080919E-13 GRAD(Rho)x -0.7633559E-14 GRAD(Rho)y 0.7651884E-14 GRAD(Rho)z 0.1267314E-15 Laplacian 0.2801510E-01 (-1/4)Del**2(Rho)) -0.7003775E-02 Diamond 0.7533027E-03 Metallicity 0.6693851E+00 Ellipticity -0.1738840E+01 Gb(Abramov) 0.5450554E-02 Vb(Abramov) -0.3897333E-02 Hb(Abramov) 0.1553221E-02 Ex_ueg -0.1038044E-02 Ec_ueg -0.2453829E-03 Delta_ex -0.1315782E-02 Delta_ec 0.5536467E-03 Delta_et -0.3486324E-02 Pxc 0.4230304E+01 Qxc -0.2376573E+01 3,+1 103 3 -1 1.716946 -2.824946 -0.628596 Rho 0.2037170E+00 |GRAD(Rho)| 0.1693483E-13 GRAD(Rho)x -0.1446879E-13 GRAD(Rho)y 0.8679662E-14 GRAD(Rho)z -0.1451313E-14 Laplacian 0.8007201E+00 (-1/4)Del**2(Rho)) -0.2001800E+00 Diamond 0.2307561E+01 Metallicity 0.6069847E+01 Ellipticity 0.5601975E-02 Gb(Abramov) 0.3359637E+00 Vb(Abramov) -0.4717474E+00 Hb(Abramov) -0.1357837E+00 Ex_ueg -0.8852949E-01 Ec_ueg -0.1196714E-01 Delta_ex -0.9261007E-01 Delta_ec 0.1832885E-01 Delta_et -0.2508655E+00 Pxc 0.7397714E+01 Qxc -0.5052694E+01 3,-1 104 3 +1 1.825541 -1.763093 -1.738143 Rho 0.1412955E-01 |GRAD(Rho)| 0.2293012E-16 GRAD(Rho)x -0.1456780E-16 GRAD(Rho)y -0.6030822E-17 GRAD(Rho)z -0.1664928E-16 Laplacian 0.6700991E-01 (-1/4)Del**2(Rho)) -0.1675248E-01 Diamond 0.3347891E-02 Metallicity 0.8492224E+00 Ellipticity -0.1373702E+01 Gb(Abramov) 0.1353941E-01 Vb(Abramov) -0.1032635E-01 Hb(Abramov) 0.3213063E-02 Ex_ueg -0.2522839E-02 Ec_ueg -0.5587478E-03 Delta_ex -0.3436917E-02 Delta_ec 0.8646386E-03 Delta_et -0.6748990E-02 Pxc 0.4515166E+01 Qxc -0.3974976E+01 3,+1 105 3 -1 1.905024 -3.012307 0.824988 Rho 0.1314211E+00 |GRAD(Rho)| 0.2106741E-13 GRAD(Rho)x -0.1705375E-13 GRAD(Rho)y 0.7559952E-14 GRAD(Rho)z 0.9790413E-14 Laplacian 0.5122092E+00 (-1/4)Del**2(Rho)) -0.1280523E+00 Diamond 0.8976629E+00 Metallicity 0.4570258E+01 Ellipticity 0.2953710E-01 Gb(Abramov) 0.1829069E+00 Vb(Abramov) -0.2377615E+00 Hb(Abramov) -0.5485459E-01 Ex_ueg -0.4934825E-01 Ec_ueg -0.7265027E-02 Delta_ex -0.5340661E-01 Delta_ec 0.1367896E-01 Delta_et -0.1790031E+00 Pxc 0.6792576E+01 Qxc -0.3904289E+01 3,-1 106 3 +1 0.010055 -2.930632 0.068801 Rho 0.4977970E-02 |GRAD(Rho)| 0.2909105E-12 GRAD(Rho)x -0.2626780E-12 GRAD(Rho)y 0.7230188E-13 GRAD(Rho)z 0.1019883E-12 Laplacian 0.2020259E-01 (-1/4)Del**2(Rho)) -0.5050648E-02 Diamond 0.4540695E-03 Metallicity 0.4950243E+00 Ellipticity -0.2613752E+01 Gb(Abramov) 0.3783798E-02 Vb(Abramov) -0.2516947E-02 Hb(Abramov) 0.1266850E-02 Ex_ueg -0.6277520E-03 Ec_ueg -0.1459649E-03 Delta_ex -0.9902705E-03 Delta_ec 0.6123698E-03 Delta_et -0.3330900E-02 Pxc 0.4300706E+01 Qxc -0.1617112E+01 3,+1 107 3 -1 -0.234025 -1.311273 -3.371732 Rho 0.5849598E-02 |GRAD(Rho)| 0.1161328E-16 GRAD(Rho)x -0.1158555E-16 GRAD(Rho)y 0.1847061E-18 GRAD(Rho)z -0.7804879E-18 Laplacian 0.2300301E-01 (-1/4)Del**2(Rho)) -0.5750751E-02 Diamond 0.9638773E-03 Metallicity 0.5689036E+00 Ellipticity 0.1111280E+00 Gb(Abramov) 0.4379105E-02 Vb(Abramov) -0.3007458E-02 Hb(Abramov) 0.1371647E-02 Ex_ueg -0.7784304E-03 Ec_ueg -0.1836557E-03 Delta_ex -0.1406282E-02 Delta_ec 0.1129661E-02 Delta_et -0.6270076E-02 Pxc 0.4238530E+01 Qxc -0.1244871E+01 3,-1 108 3 -1 0.185768 -1.177075 -1.878600 Rho 0.6172704E-02 |GRAD(Rho)| 0.1123909E-16 GRAD(Rho)x -0.7895829E-17 GRAD(Rho)y 0.2563122E-17 GRAD(Rho)z 0.7576498E-17 Laplacian 0.2426878E-01 (-1/4)Del**2(Rho)) -0.6067194E-02 Diamond 0.8814280E-03 Metallicity 0.5897813E+00 Ellipticity 0.7222208E+00 Gb(Abramov) 0.4641182E-02 Vb(Abramov) -0.3215171E-02 Hb(Abramov) 0.1426012E-02 Ex_ueg -0.8362811E-03 Ec_ueg -0.1977229E-03 Delta_ex -0.1348658E-02 Delta_ec 0.9269720E-03 Delta_et -0.5298445E-02 Pxc 0.4229561E+01 Qxc -0.1454907E+01 3,-1 109 3 -1 1.614567 -1.749238 0.462534 Rho 0.5135608E-01 |GRAD(Rho)| 0.3323594E-15 GRAD(Rho)x -0.1993403E-15 GRAD(Rho)y 0.2625811E-15 GRAD(Rho)z 0.4215916E-16 Laplacian 0.1944657E+00 (-1/4)Del**2(Rho)) -0.4861643E-01 Diamond 0.9991637E-01 Metallicity 0.2514335E+01 Ellipticity 0.7795793E-02 Gb(Abramov) 0.5278395E-01 Vb(Abramov) -0.5695148E-01 Hb(Abramov) -0.4167524E-02 Ex_ueg -0.1409854E-01 Ec_ueg -0.2489969E-02 Delta_ex -0.1601896E-01 Delta_ec 0.5621174E-02 Delta_et -0.5963595E-01 Pxc 0.5662136E+01 Qxc -0.2849753E+01 3,-1 110 3 +1 1.289930 2.134197 -1.133911 Rho 0.2820571E-01 |GRAD(Rho)| 0.8300225E-16 GRAD(Rho)x -0.5774840E-16 GRAD(Rho)y -0.5581479E-16 GRAD(Rho)z 0.2095725E-16 Laplacian 0.1075776E+00 (-1/4)Del**2(Rho)) -0.2689440E-01 Diamond 0.1566823E-01 Metallicity 0.1674120E+01 Ellipticity -0.3675678E+01 Gb(Abramov) 0.2543367E-01 Vb(Abramov) -0.2397295E-01 Hb(Abramov) 0.1460726E-02 Ex_ueg -0.6341148E-02 Ec_ueg -0.1251433E-02 Delta_ex -0.6823325E-02 Delta_ec 0.1669469E-02 Delta_et -0.1519554E-01 Pxc 0.5067110E+01 Qxc -0.4087123E+01 3,+1 111 3 -1 1.683815 1.690820 -0.519974 Rho 0.4475012E-01 |GRAD(Rho)| 0.3085980E-16 GRAD(Rho)x 0.5408729E-17 GRAD(Rho)y 0.1066838E-17 GRAD(Rho)z 0.3036338E-16 Laplacian 0.1675923E+00 (-1/4)Del**2(Rho)) -0.4189808E-01 Diamond 0.7042957E-01 Metallicity 0.2319260E+01 Ellipticity 0.9549075E-02 Gb(Abramov) 0.4412747E-01 Vb(Abramov) -0.4635687E-01 Hb(Abramov) -0.2229395E-02 Ex_ueg -0.1173394E-01 Ec_ueg -0.2126803E-02 Delta_ex -0.1328482E-01 Delta_ec 0.4762567E-02 Delta_et -0.4872865E-01 Pxc 0.5517173E+01 Qxc -0.2789424E+01 3,-1 112 3 +1 1.736211 1.749134 1.727079 Rho 0.1237144E-01 |GRAD(Rho)| 0.2388891E-16 GRAD(Rho)x -0.1168264E-16 GRAD(Rho)y 0.1716263E-16 GRAD(Rho)z -0.1181695E-16 Laplacian 0.6206803E-01 (-1/4)Del**2(Rho)) -0.1551701E-01 Diamond 0.2566187E-02 Metallicity 0.7347035E+00 Ellipticity -0.1249362E+01 Gb(Abramov) 0.1224474E-01 Vb(Abramov) -0.8972469E-02 Hb(Abramov) 0.3272269E-02 Ex_ueg -0.2113223E-02 Ec_ueg -0.4767428E-03 Delta_ex -0.3068061E-02 Delta_ec 0.7922214E-03 Delta_et -0.5994873E-02 Pxc 0.4432625E+01 Qxc -0.3872731E+01 3,+1 113 3 +1 1.289129 1.120711 -2.160779 Rho 0.2849642E-01 |GRAD(Rho)| 0.2668352E-15 GRAD(Rho)x 0.6984548E-17 GRAD(Rho)y -0.2641513E-15 GRAD(Rho)z 0.3709921E-16 Laplacian 0.1107686E+00 (-1/4)Del**2(Rho)) -0.2769214E-01 Diamond 0.1699807E-01 Metallicity 0.1653918E+01 Ellipticity -0.4290183E+01 Gb(Abramov) 0.2609485E-01 Vb(Abramov) -0.2449755E-01 Hb(Abramov) 0.1597293E-02 Ex_ueg -0.6428439E-02 Ec_ueg -0.1266315E-02 Delta_ex -0.7103316E-02 Delta_ec 0.1822411E-02 Delta_et -0.1661190E-01 Pxc 0.5076493E+01 Qxc -0.3897758E+01 3,+1 114 3 -1 1.984543 2.969438 -0.854264 Rho 0.1439071E+00 |GRAD(Rho)| 0.5518074E-15 GRAD(Rho)x 0.2430917E-15 GRAD(Rho)y -0.2738966E-15 GRAD(Rho)z 0.4127693E-15 Laplacian 0.5677470E+00 (-1/4)Del**2(Rho)) -0.1419367E+00 Diamond 0.1100424E+01 Metallicity 0.4796546E+01 Ellipticity 0.3942610E-01 Gb(Abramov) 0.2080922E+00 Vb(Abramov) -0.2742476E+00 Hb(Abramov) -0.6615545E-01 Ex_ueg -0.5569651E-01 Ec_ueg -0.8054628E-02 Delta_ex -0.6041496E-01 Delta_ec 0.1466209E-01 Delta_et -0.1942664E+00 Pxc 0.6914846E+01 Qxc -0.4120488E+01 3,-1 115 3 -1 1.785992 2.772474 0.565191 Rho 0.1485192E+00 |GRAD(Rho)| 0.1345633E-15 GRAD(Rho)x -0.9207587E-16 GRAD(Rho)y 0.1589711E-16 GRAD(Rho)z 0.9683281E-16 Laplacian 0.6286523E+00 (-1/4)Del**2(Rho)) -0.1571631E+00 Diamond 0.1259785E+01 Metallicity 0.4565694E+01 Ellipticity 0.1428598E-01 Gb(Abramov) 0.2243685E+00 Vb(Abramov) -0.2915739E+00 Hb(Abramov) -0.6720539E-01 Ex_ueg -0.5808915E-01 Ec_ueg -0.8348786E-02 Delta_ex -0.6735620E-01 Delta_ec 0.1600610E-01 Delta_et -0.2128145E+00 Pxc 0.6957796E+01 Qxc -0.4208157E+01 3,-1 116 3 +1 2.938833 -0.165843 0.182760 Rho 0.5638285E-02 |GRAD(Rho)| 0.3677344E-13 GRAD(Rho)x -0.4763693E-14 GRAD(Rho)y -0.3618180E-13 GRAD(Rho)z -0.4524425E-14 Laplacian 0.2341715E-01 (-1/4)Del**2(Rho)) -0.5854287E-02 Diamond 0.6165943E-03 Metallicity 0.5256027E+00 Ellipticity -0.2683248E+01 Gb(Abramov) 0.4415696E-02 Vb(Abramov) -0.2977105E-02 Hb(Abramov) 0.1438591E-02 Ex_ueg -0.7411642E-03 Ec_ueg -0.1744834E-03 Delta_ex -0.1171851E-02 Delta_ec 0.7017181E-03 Delta_et -0.3964953E-02 Pxc 0.4247764E+01 Qxc -0.1669975E+01 3,+1 117 3 -1 2.960379 -0.885891 1.970196 Rho 0.1708070E+00 |GRAD(Rho)| 0.9330169E-15 GRAD(Rho)x -0.1374226E-15 GRAD(Rho)y 0.7410251E-15 GRAD(Rho)z 0.5500158E-15 Laplacian 0.6693271E+00 (-1/4)Del**2(Rho)) -0.1673318E+00 Diamond 0.1584120E+01 Metallicity 0.5413576E+01 Ellipticity 0.5626791E-01 Gb(Abramov) 0.2625317E+00 Vb(Abramov) -0.3577317E+00 Hb(Abramov) -0.9519994E-01 Ex_ueg -0.6999375E-01 Ec_ueg -0.9788509E-02 Delta_ex -0.7422125E-01 Delta_ec 0.1641340E-01 Delta_et -0.2220909E+00 Pxc 0.7150604E+01 Qxc -0.4521991E+01 3,-1 118 3 +1 1.230031 -1.184792 2.155521 Rho 0.2715949E-01 |GRAD(Rho)| 0.1632100E-10 GRAD(Rho)x -0.1008749E-10 GRAD(Rho)y -0.1219277E-10 GRAD(Rho)z 0.3994234E-11 Laplacian 0.1023228E+00 (-1/4)Del**2(Rho)) -0.2558069E-01 Diamond 0.1414908E-01 Metallicity 0.1652635E+01 Ellipticity -0.3608327E+01 Gb(Abramov) 0.2409972E-01 Vb(Abramov) -0.2261875E-01 Hb(Abramov) 0.1480972E-02 Ex_ueg -0.6029490E-02 Ec_ueg -0.1198044E-02 Delta_ex -0.6423947E-02 Delta_ec 0.1588586E-02 Delta_et -0.1433306E-01 Pxc 0.5032778E+01 Qxc -0.4043813E+01 3,+1 119 3 -1 1.898484 -0.596581 -2.809344 Rho 0.1553706E+00 |GRAD(Rho)| 0.1926198E-13 GRAD(Rho)x 0.1100790E-14 GRAD(Rho)y -0.1875643E-13 GRAD(Rho)z 0.4243635E-14 Laplacian 0.5968452E+00 (-1/4)Del**2(Rho)) -0.1492113E+00 Diamond 0.1285849E+01 Metallicity 0.5184414E+01 Ellipticity 0.1119112E+00 Gb(Abramov) 0.2284031E+00 Vb(Abramov) -0.3075948E+00 Hb(Abramov) -0.7919175E-01 Ex_ueg -0.6168936E-01 Ec_ueg -0.8788193E-02 Delta_ex -0.6488301E-01 Delta_ec 0.1542065E-01 Delta_et -0.2072585E+00 Pxc 0.7019573E+01 Qxc -0.4207542E+01 3,-1 120 3 -1 2.797352 -0.553852 -1.784905 Rho 0.1416470E+00 |GRAD(Rho)| 0.5658459E-12 GRAD(Rho)x -0.7601319E-13 GRAD(Rho)y 0.3626994E-12 GRAD(Rho)z -0.4276128E-12 Laplacian 0.5873968E+00 (-1/4)Del**2(Rho)) -0.1468492E+00 Diamond 0.1115714E+01 Metallicity 0.4515374E+01 Ellipticity 0.1391048E-01 Gb(Abramov) 0.2084126E+00 Vb(Abramov) -0.2699761E+00 Hb(Abramov) -0.6156344E-01 Ex_ueg -0.5453325E-01 Ec_ueg -0.7910962E-02 Delta_ex -0.6225061E-01 Delta_ec 0.1520232E-01 Delta_et -0.2008946E+00 Pxc 0.6893378E+01 Qxc -0.4094809E+01 3,-1 121 3 -1 2.942758 0.020951 -0.000664 Rho 0.5688647E-02 |GRAD(Rho)| 0.1590560E-12 GRAD(Rho)x -0.2517765E-13 GRAD(Rho)y -0.1547683E-12 GRAD(Rho)z -0.2667693E-13 Laplacian 0.2311293E-01 (-1/4)Del**2(Rho)) -0.5778233E-02 Diamond 0.7430170E-03 Metallicity 0.5404718E+00 Ellipticity 0.3346817E+01 Gb(Abramov) 0.4372651E-02 Vb(Abramov) -0.2967069E-02 Hb(Abramov) 0.1405582E-02 Ex_ueg -0.7500042E-03 Ec_ueg -0.1766674E-03 Delta_ex -0.1258056E-02 Delta_ec 0.8700190E-03 Delta_et -0.4854814E-02 Pxc 0.4245289E+01 Qxc -0.1446010E+01 3,-1 122 3 +3 -0.126750 -2.362643 -0.111254 Rho 0.4280931E-02 |GRAD(Rho)| 0.7898520E-15 GRAD(Rho)x 0.3479340E-15 GRAD(Rho)y 0.6077360E-15 GRAD(Rho)z 0.3653287E-15 Laplacian 0.1748605E-01 (-1/4)Del**2(Rho)) -0.4371514E-02 Diamond 0.1361092E-03 Metallicity 0.4447866E+00 Ellipticity -0.2193118E+00 Gb(Abramov) 0.3238408E-02 Vb(Abramov) -0.2105301E-02 Hb(Abramov) 0.1133106E-02 Ex_ueg -0.5133766E-03 Ec_ueg -0.1161008E-03 Delta_ex -0.6214467E-03 Delta_ec 0.1532159E-03 Delta_et -0.9570707E-03 Pxc 0.4421818E+01 Qxc -0.4056020E+01 3,+3 123 3 -1 2.895673 -2.007373 0.809435 Rho 0.1007674E+00 |GRAD(Rho)| 0.1955863E-15 GRAD(Rho)x -0.6111173E-16 GRAD(Rho)y -0.3948529E-16 GRAD(Rho)z -0.1815497E-15 Laplacian 0.4011632E+00 (-1/4)Del**2(Rho)) -0.1002908E+00 Diamond 0.5031579E+00 Metallicity 0.3748227E+01 Ellipticity 0.3388302E-02 Gb(Abramov) 0.1295126E+00 Vb(Abramov) -0.1587345E+00 Hb(Abramov) -0.2922184E-01 Ex_ueg -0.3463209E-01 Ec_ueg -0.5371565E-02 Delta_ex -0.3915734E-01 Delta_ec 0.1115544E-01 Delta_et -0.1387683E+00 Pxc 0.6447301E+01 Qxc -0.3510156E+01 3,-1 124 3 +1 2.940611 0.157916 -0.137658 Rho 0.5666063E-02 |GRAD(Rho)| 0.4222664E-12 GRAD(Rho)x 0.7500010E-13 GRAD(Rho)y 0.4084285E-12 GRAD(Rho)z 0.7661640E-13 Laplacian 0.2364486E-01 (-1/4)Del**2(Rho)) -0.5911215E-02 Diamond 0.6500765E-03 Metallicity 0.5248221E+00 Ellipticity -0.3283314E+01 Gb(Abramov) 0.4457866E-02 Vb(Abramov) -0.3004517E-02 Hb(Abramov) 0.1453349E-02 Ex_ueg -0.7460368E-03 Ec_ueg -0.1756879E-03 Delta_ex -0.1202765E-02 Delta_ec 0.7413140E-03 Delta_et -0.4181120E-02 Pxc 0.4246376E+01 Qxc -0.1622477E+01 3,+1 125 3 -1 1.673199 -0.568403 1.681027 Rho 0.4527554E-01 |GRAD(Rho)| 0.5085761E-16 GRAD(Rho)x -0.2845268E-16 GRAD(Rho)y 0.3372864E-16 GRAD(Rho)z -0.2528478E-16 Laplacian 0.1710713E+00 (-1/4)Del**2(Rho)) -0.4276781E-01 Diamond 0.7311068E-01 Metallicity 0.2316731E+01 Ellipticity 0.2293865E-01 Gb(Abramov) 0.4502546E-01 Vb(Abramov) -0.4728311E-01 Hb(Abramov) -0.2257647E-02 Ex_ueg -0.1191800E-01 Ec_ueg -0.2155437E-02 Delta_ex -0.1360395E-01 Delta_ec 0.4867004E-02 Delta_et -0.4995094E-01 Pxc 0.5529271E+01 Qxc -0.2795139E+01 3,-1 126 3 -1 3.261148 -0.016578 -3.169275 Rho 0.2407554E+00 |GRAD(Rho)| 0.1630716E-12 GRAD(Rho)x -0.1190044E-12 GRAD(Rho)y 0.2311875E-13 GRAD(Rho)z 0.1090680E-12 Laplacian 0.8850645E+00 (-1/4)Del**2(Rho)) -0.2212661E+00 Diamond 0.3131565E+01 Metallicity 0.7254348E+01 Ellipticity 0.3159265E-02 Gb(Abramov) 0.4150343E+00 Vb(Abramov) -0.6088025E+00 Hb(Abramov) -0.1937682E+00 Ex_ueg -0.1106165E+00 Ec_ueg -0.1449135E-01 Delta_ex -0.1069659E+00 Delta_ec 0.1943406E-01 Delta_et -0.2687827E+00 Pxc 0.7633277E+01 Qxc -0.5504042E+01 3,-1 127 3 -1 3.167943 0.025444 3.166960 Rho 0.2403046E+00 |GRAD(Rho)| 0.6508597E-15 GRAD(Rho)x 0.6299215E-16 GRAD(Rho)y 0.2169217E-15 GRAD(Rho)z 0.6104058E-15 Laplacian 0.8858612E+00 (-1/4)Del**2(Rho)) -0.2214653E+00 Diamond 0.3127737E+01 Metallicity 0.7225218E+01 Ellipticity 0.5051227E-02 Gb(Abramov) 0.4143327E+00 Vb(Abramov) -0.6072002E+00 Hb(Abramov) -0.1928674E+00 Ex_ueg -0.1103404E+00 Ec_ueg -0.1446017E-01 Delta_ex -0.1070119E+00 Delta_ec 0.1946635E-01 Delta_et -0.2692311E+00 Pxc 0.7630641E+01 Qxc -0.5497277E+01 3,-1 128 3 -1 -3.200717 3.144042 -0.056511 Rho 0.2360799E+00 |GRAD(Rho)| 0.2985910E-12 GRAD(Rho)x 0.2010818E-12 GRAD(Rho)y -0.2148581E-12 GRAD(Rho)z 0.5058360E-13 Laplacian 0.8807057E+00 (-1/4)Del**2(Rho)) -0.2201764E+00 Diamond 0.3033456E+01 Metallicity 0.7055817E+01 Ellipticity 0.1055797E-01 Gb(Abramov) 0.4057051E+00 Vb(Abramov) -0.5912337E+00 Hb(Abramov) -0.1855286E+00 Ex_ueg -0.1077615E+00 Ec_ueg -0.1416855E-01 Delta_ex -0.1058409E+00 Delta_ec 0.1935397E-01 Delta_et -0.2670770E+00 Pxc 0.7605685E+01 Qxc -0.5468689E+01 3,-1 129 3 -1 -1.733783 1.680089 0.535981 Rho 0.5265886E-01 |GRAD(Rho)| 0.1764025E-13 GRAD(Rho)x -0.1182930E-13 GRAD(Rho)y 0.1184638E-13 GRAD(Rho)z -0.5559619E-14 Laplacian 0.2010878E+00 (-1/4)Del**2(Rho)) -0.5027194E-01 Diamond 0.1064547E+00 Metallicity 0.2535206E+01 Ellipticity 0.1369030E-01 Gb(Abramov) 0.5475625E-01 Vb(Abramov) -0.5924056E-01 Hb(Abramov) -0.4484307E-02 Ex_ueg -0.1457741E-01 Ec_ueg -0.2562364E-02 Delta_ex -0.1665230E-01 Delta_ec 0.5779504E-02 Delta_et -0.6170104E-01 Pxc 0.5689046E+01 Qxc -0.2881268E+01 3,-1 130 3 -1 -1.794387 2.743847 -0.544671 Rho 0.1309744E+00 |GRAD(Rho)| 0.1709288E-15 GRAD(Rho)x 0.1136379E-15 GRAD(Rho)y -0.6056624E-16 GRAD(Rho)z -0.1124047E-15 Laplacian 0.5441253E+00 (-1/4)Del**2(Rho)) -0.1360313E+00 Diamond 0.9460566E+00 Metallicity 0.4277844E+01 Ellipticity 0.9574166E-02 Gb(Abramov) 0.1876744E+00 Vb(Abramov) -0.2393174E+00 Hb(Abramov) -0.5164303E-01 Ex_ueg -0.4912474E-01 Ec_ueg -0.7236967E-02 Delta_ex -0.5664447E-01 Delta_ec 0.1446533E-01 Delta_et -0.1890435E+00 Pxc 0.6788029E+01 Qxc -0.3915879E+01 3,-1 131 3 +1 -1.239433 1.225157 2.205662 Rho 0.2852877E-01 |GRAD(Rho)| 0.8100538E-16 GRAD(Rho)x -0.1704870E-16 GRAD(Rho)y 0.2120720E-16 GRAD(Rho)z 0.7629854E-16 Laplacian 0.1091721E+00 (-1/4)Del**2(Rho)) -0.2729303E-01 Diamond 0.1636523E-01 Metallicity 0.1681279E+01 Ellipticity -0.3938898E+01 Gb(Abramov) 0.2584322E-01 Vb(Abramov) -0.2439341E-01 Hb(Abramov) 0.1449809E-02 Ex_ueg -0.6438171E-02 Ec_ueg -0.1267972E-02 Delta_ex -0.6965377E-02 Delta_ec 0.1728813E-02 Delta_et -0.1577210E-01 Pxc 0.5077533E+01 Qxc -0.4028993E+01 3,+1 132 3 -1 -0.861584 2.989505 1.990168 Rho 0.1590369E+00 |GRAD(Rho)| 0.3270777E-15 GRAD(Rho)x -0.5811324E-16 GRAD(Rho)y -0.3070054E-15 GRAD(Rho)z -0.9669728E-16 Laplacian 0.6220161E+00 (-1/4)Del**2(Rho)) -0.1555040E+00 Diamond 0.1354850E+01 Metallicity 0.5171795E+01 Ellipticity 0.5095478E-01 Gb(Abramov) 0.2377085E+00 Vb(Abramov) -0.3199130E+00 Hb(Abramov) -0.8220449E-01 Ex_ueg -0.6363786E-01 Ec_ueg -0.9024493E-02 Delta_ex -0.6779378E-01 Delta_ec 0.1559483E-01 Delta_et -0.2093383E+00 Pxc 0.7051683E+01 Qxc -0.4347197E+01 3,-1 133 3 -1 -1.988275 2.954431 0.860744 Rho 0.1137791E+00 |GRAD(Rho)| 0.4393280E-15 GRAD(Rho)x -0.2593683E-15 GRAD(Rho)y -0.8172852E-16 GRAD(Rho)z -0.3450473E-15 Laplacian 0.4532414E+00 (-1/4)Del**2(Rho)) -0.1133104E+00 Diamond 0.6588260E+00 Metallicity 0.4061825E+01 Ellipticity 0.1575395E-01 Gb(Abramov) 0.1522480E+00 Vb(Abramov) -0.1911857E+00 Hb(Abramov) -0.3893769E-01 Ex_ueg -0.4071944E-01 Ec_ueg -0.6167049E-02 Delta_ex -0.4553286E-01 Delta_ec 0.1228327E-01 Delta_et -0.1563867E+00 Pxc 0.6602744E+01 Qxc -0.3706902E+01 3,-1 134 3 +3 0.909015 -1.121712 -1.221865 Rho 0.4370769E-02 |GRAD(Rho)| 0.5304066E-17 GRAD(Rho)x 0.3620007E-18 GRAD(Rho)y 0.5285287E-17 GRAD(Rho)z -0.2604097E-18 Laplacian 0.1693323E-01 (-1/4)Del**2(Rho)) -0.4233309E-02 Diamond 0.1255045E-03 Metallicity 0.4754845E+00 Ellipticity -0.5042127E+00 Gb(Abramov) 0.3157685E-02 Vb(Abramov) -0.2082060E-02 Hb(Abramov) 0.1075624E-02 Ex_ueg -0.5277913E-03 Ec_ueg -0.1199358E-03 Delta_ex -0.5938223E-03 Delta_ec 0.1284000E-03 Delta_et -0.8354071E-03 Pxc 0.4400617E+01 Qxc -0.4624785E+01 3,+3 135 3 -1 -0.867663 1.986546 3.014873 Rho 0.1417408E+00 |GRAD(Rho)| 0.1044625E-11 GRAD(Rho)x 0.7407195E-12 GRAD(Rho)y 0.5477779E-12 GRAD(Rho)z -0.4924593E-12 Laplacian 0.5575000E+00 (-1/4)Del**2(Rho)) -0.1393750E+00 Diamond 0.1062498E+01 Metallicity 0.4762774E+01 Ellipticity 0.4134802E-01 Gb(Abramov) 0.2035519E+00 Vb(Abramov) -0.2677289E+00 Hb(Abramov) -0.6417694E-01 Ex_ueg -0.5458145E-01 Ec_ueg -0.7916923E-02 Delta_ex -0.5912108E-01 Delta_ec 0.1447856E-01 Delta_et -0.1914596E+00 Pxc 0.6894276E+01 Qxc -0.4083355E+01 3,-1 136 3 +1 0.249050 -1.527194 -1.659157 Rho 0.5916350E-02 |GRAD(Rho)| 0.1451745E-14 GRAD(Rho)x -0.1083262E-14 GRAD(Rho)y 0.8600722E-15 GRAD(Rho)z -0.4408904E-15 Laplacian 0.2303555E-01 (-1/4)Del**2(Rho)) -0.5758888E-02 Diamond 0.5746325E-03 Metallicity 0.5789454E+00 Ellipticity -0.2179041E+01 Gb(Abramov) 0.4394939E-02 Vb(Abramov) -0.3030990E-02 Hb(Abramov) 0.1363949E-02 Ex_ueg -0.7902967E-03 Ec_ueg -0.1865577E-03 Delta_ex -0.1110130E-02 Delta_ec 0.5942191E-03 Delta_et -0.3445934E-02 Pxc 0.4236204E+01 Qxc -0.1868216E+01 3,+1 137 3 -1 0.315690 -0.427537 0.365400 Rho 0.1373883E+00 |GRAD(Rho)| 0.3261726E-14 GRAD(Rho)x 0.1670014E-14 GRAD(Rho)y -0.1597818E-14 GRAD(Rho)z 0.2301497E-14 Laplacian 0.7189865E+00 (-1/4)Del**2(Rho)) -0.1797466E+00 Diamond 0.1586648E+01 Metallicity 0.3505974E+01 Ellipticity 0.1567581E-02 Gb(Abramov) 0.2248623E+00 Vb(Abramov) -0.2699779E+00 Hb(Abramov) -0.4511563E-01 Ex_ueg -0.5235821E-01 Ec_ueg -0.7641139E-02 Delta_ex -0.7865817E-01 Delta_ec 0.2414815E-01 Delta_et -0.3285117E+00 Pxc 0.6852147E+01 Qxc -0.3257317E+01 3,-1 138 3 -1 1.099832 -2.270989 -2.004585 Rho 0.4619859E-01 |GRAD(Rho)| 0.3467482E-16 GRAD(Rho)x -0.1296862E-16 GRAD(Rho)y 0.3083366E-16 GRAD(Rho)z 0.9134739E-17 Laplacian 0.1259242E+00 (-1/4)Del**2(Rho)) -0.3148106E-01 Diamond 0.8831903E-01 Metallicity 0.3255005E+01 Ellipticity 0.1583395E-01 Gb(Abramov) 0.3806587E-01 Vb(Abramov) -0.4465069E-01 Hb(Abramov) -0.6584815E-02 Ex_ueg -0.1224306E-01 Ec_ueg -0.2205849E-02 Delta_ex -0.1164561E-01 Delta_ec 0.6404174E-02 Delta_et -0.6672437E-01 Pxc 0.5550272E+01 Qxc -0.1818441E+01 3,-1 139 3 +1 1.212263 -2.198553 1.157104 Rho 0.2917975E-01 |GRAD(Rho)| 0.1574074E-14 GRAD(Rho)x 0.8757989E-15 GRAD(Rho)y -0.1258980E-14 GRAD(Rho)z -0.3544788E-15 Laplacian 0.1139586E+00 (-1/4)Del**2(Rho)) -0.2848965E-01 Diamond 0.1815714E-01 Metallicity 0.1672382E+01 Ellipticity -0.4562652E+01 Gb(Abramov) 0.2693402E-01 Vb(Abramov) -0.2537840E-01 Hb(Abramov) 0.1555622E-02 Ex_ueg -0.6634789E-02 Ec_ueg -0.1301376E-02 Delta_ex -0.7362749E-02 Delta_ec 0.1888881E-02 Delta_et -0.1731256E-01 Pxc 0.5098289E+01 Qxc -0.3897943E+01 3,+1 140 3 -1 0.829618 -1.969588 3.000716 Rho 0.1408642E+00 |GRAD(Rho)| 0.3551988E-15 GRAD(Rho)x -0.3211813E-15 GRAD(Rho)y -0.1385746E-15 GRAD(Rho)z -0.6169110E-16 Laplacian 0.5606112E+00 (-1/4)Del**2(Rho)) -0.1401528E+00 Diamond 0.1057815E+01 Metallicity 0.4687621E+01 Ellipticity 0.4094162E-01 Gb(Abramov) 0.2029324E+00 Vb(Abramov) -0.2657120E+00 Hb(Abramov) -0.6277960E-01 Ex_ueg -0.5413182E-01 Ec_ueg -0.7861281E-02 Delta_ex -0.5933229E-01 Delta_ec 0.1452953E-01 Delta_et -0.1918454E+00 Pxc 0.6885877E+01 Qxc -0.4083567E+01 3,-1 141 3 -1 1.101607 -1.741867 -2.572691 Rho 0.3076113E+00 |GRAD(Rho)| 0.7680589E-15 GRAD(Rho)x 0.1755763E-15 GRAD(Rho)y 0.6822016E-15 GRAD(Rho)z 0.3060855E-15 Laplacian -0.1542594E+01 (-1/4)Del**2(Rho)) 0.3856486E+00 Diamond 0.5245641E+01 Metallicity -0.6261792E+01 Ellipticity 0.3373093E-02 Gb(Abramov) 0.1453762E+00 Vb(Abramov) -0.6764009E+00 Hb(Abramov) -0.5310247E+00 Ex_ueg -0.1533633E+00 Ec_ueg -0.1923825E-01 Delta_ex 0.1508509E+00 Delta_ec 0.5453598E-01 Delta_et -0.1271177E+01 Pxc 0.7971791E+01 Qxc 0.2766080E+01 3,-1 142 3 +1 -0.341565 -1.080128 -2.597006 Rho 0.4020149E-02 |GRAD(Rho)| 0.7878840E-17 GRAD(Rho)x -0.6984025E-17 GRAD(Rho)y -0.4599389E-18 GRAD(Rho)z 0.3617731E-17 Laplacian 0.1600300E-01 (-1/4)Del**2(Rho)) -0.4000750E-02 Diamond 0.1882597E-03 Metallicity 0.4376720E+00 Ellipticity -0.1317067E+01 Gb(Abramov) 0.2959003E-02 Vb(Abramov) -0.1917255E-02 Hb(Abramov) 0.1041747E-02 Ex_ueg -0.4721080E-03 Ec_ueg -0.1049926E-03 Delta_ex -0.6514416E-03 Delta_ec 0.3040293E-03 Delta_et -0.1628512E-02 Pxc 0.4496581E+01 Qxc -0.2142693E+01 3,+1 143 3 -1 1.711421 0.510390 -1.716419 Rho 0.4457965E-01 |GRAD(Rho)| 0.4885371E-16 GRAD(Rho)x 0.2962201E-16 GRAD(Rho)y -0.1350488E-16 GRAD(Rho)z -0.3642580E-16 Laplacian 0.1674831E+00 (-1/4)Del**2(Rho)) -0.4187077E-01 Diamond 0.7006961E-01 Metallicity 0.2306056E+01 Ellipticity 0.1584924E-01 Gb(Abramov) 0.4400657E-01 Vb(Abramov) -0.4614237E-01 Hb(Abramov) -0.2135803E-02 Ex_ueg -0.1167438E-01 Ec_ueg -0.2117523E-02 Delta_ex -0.1326592E-01 Delta_ec 0.4764125E-02 Delta_et -0.4869675E-01 Pxc 0.5513225E+01 Qxc -0.2784546E+01 3,-1 144 3 -1 0.038156 -1.972724 -1.038686 Rho 0.7957894E-02 |GRAD(Rho)| 0.3252217E-17 GRAD(Rho)x 0.6564505E-18 GRAD(Rho)y 0.2234473E-17 GRAD(Rho)z 0.2270048E-17 Laplacian 0.3038229E-01 (-1/4)Del**2(Rho)) -0.7595573E-02 Diamond 0.1480721E-02 Metallicity 0.7194316E+00 Ellipticity 0.6390665E+00 Gb(Abramov) 0.5974465E-02 Vb(Abramov) -0.4353356E-02 Hb(Abramov) 0.1621108E-02 Ex_ueg -0.1173409E-02 Ec_ueg -0.2763427E-03 Delta_ex -0.1735454E-02 Delta_ec 0.1095944E-02 Delta_et -0.6787023E-02 Pxc 0.4246208E+01 Qxc -0.1583525E+01 3,-1 145 3 -1 1.776473 0.525624 2.731433 Rho 0.1338255E+00 |GRAD(Rho)| 0.2833441E-15 GRAD(Rho)x 0.2351092E-15 GRAD(Rho)y -0.1501078E-15 GRAD(Rho)z -0.4975133E-16 Laplacian 0.5639268E+00 (-1/4)Del**2(Rho)) -0.1409817E+00 Diamond 0.9987905E+00 Metallicity 0.4278472E+01 Ellipticity 0.9924941E-02 Gb(Abramov) 0.1945188E+00 Vb(Abramov) -0.2480560E+00 Hb(Abramov) -0.5353715E-01 Ex_ueg -0.5055572E-01 Ec_ueg -0.7416300E-02 Delta_ex -0.5892550E-01 Delta_ec 0.1476180E-01 Delta_et -0.1932998E+00 Pxc 0.6816839E+01 Qxc -0.3991756E+01 3,-1 146 3 -1 2.015318 0.842373 -2.987030 Rho 0.1501027E+00 |GRAD(Rho)| 0.4964585E-15 GRAD(Rho)x -0.1038937E-15 GRAD(Rho)y -0.4361745E-15 GRAD(Rho)z 0.2131406E-15 Laplacian 0.5904445E+00 (-1/4)Del**2(Rho)) -0.1476111E+00 Diamond 0.1206229E+01 Metallicity 0.4947830E+01 Ellipticity 0.4456700E-01 Gb(Abramov) 0.2201332E+00 Vb(Abramov) -0.2926553E+00 Hb(Abramov) -0.7252208E-01 Ex_ueg -0.5891641E-01 Ec_ueg -0.8450086E-02 Delta_ex -0.6350552E-01 Delta_ec 0.1513315E-01 Delta_et -0.2018286E+00 Pxc 0.6972285E+01 Qxc -0.4196451E+01 3,-1 147 3 -1 3.084212 -3.217993 -0.113291 Rho 0.2359386E+00 |GRAD(Rho)| 0.5768531E-15 GRAD(Rho)x -0.2426444E-15 GRAD(Rho)y 0.5076235E-15 GRAD(Rho)z 0.1272853E-15 Laplacian 0.8786380E+00 (-1/4)Del**2(Rho)) -0.2196595E+00 Diamond 0.3030413E+01 Metallicity 0.7065366E+01 Ellipticity 0.1213052E-01 Gb(Abramov) 0.4051022E+00 Vb(Abramov) -0.5905448E+00 Hb(Abramov) -0.1854426E+00 Ex_ueg -0.1076755E+00 Ec_ueg -0.1415881E-01 Delta_ex -0.1056099E+00 Delta_ec 0.1937281E-01 Delta_et -0.2675971E+00 Pxc 0.7604842E+01 Qxc -0.5451452E+01 3,-1 148 3 -1 -1.742660 0.440957 -2.806028 Rho 0.1323699E+00 |GRAD(Rho)| 0.9542274E-14 GRAD(Rho)x -0.7060528E-14 GRAD(Rho)y -0.6393093E-14 GRAD(Rho)z 0.5764500E-15 Laplacian 0.5561771E+00 (-1/4)Del**2(Rho)) -0.1390443E+00 Diamond 0.9880162E+00 Metallicity 0.4259731E+01 Ellipticity 0.1084514E-01 Gb(Abramov) 0.1914114E+00 Vb(Abramov) -0.2437785E+00 Hb(Abramov) -0.5236710E-01 Ex_ueg -0.4982386E-01 Ec_ueg -0.7324676E-02 Delta_ex -0.5814838E-01 Delta_ec 0.1492940E-01 Delta_et -0.1957882E+00 Pxc 0.6802193E+01 Qxc -0.3894890E+01 3,-1 149 3 -1 -2.074629 -0.949160 -3.234726 Rho 0.2340313E+00 |GRAD(Rho)| 0.5970741E-12 GRAD(Rho)x -0.2379355E-12 GRAD(Rho)y 0.4036199E-12 GRAD(Rho)z 0.3701016E-12 Laplacian 0.8954669E+00 (-1/4)Del**2(Rho)) -0.2238667E+00 Diamond 0.3037965E+01 Metallicity 0.6839433E+01 Ellipticity 0.1725558E-01 Gb(Abramov) 0.4044314E+00 Vb(Abramov) -0.5849961E+00 Hb(Abramov) -0.1805647E+00 Ex_ueg -0.1065165E+00 Ec_ueg -0.1402749E-01 Delta_ex -0.1072924E+00 Delta_ec 0.1958996E-01 Delta_et -0.2696498E+00 Pxc 0.7593413E+01 Qxc -0.5476910E+01 3,-1 150 3 +3 -2.395562 0.045346 0.076236 Rho 0.5339831E-02 |GRAD(Rho)| 0.3247678E-17 GRAD(Rho)x -0.1311822E-17 GRAD(Rho)y -0.2970862E-17 GRAD(Rho)z 0.2263476E-19 Laplacian 0.2240606E-01 (-1/4)Del**2(Rho)) -0.5601515E-02 Diamond 0.2497146E-03 Metallicity 0.5017185E+00 Ellipticity -0.3124995E+00 Gb(Abramov) 0.4202741E-02 Vb(Abramov) -0.2803966E-02 Hb(Abramov) 0.1398774E-02 Ex_ueg -0.6893213E-03 Ec_ueg -0.1615663E-03 Delta_ex -0.8551694E-03 Delta_ec 0.2178983E-03 Delta_et -0.1402575E-02 Pxc 0.4266492E+01 Qxc -0.3924626E+01 3,+3 151 3 -1 -1.744943 -0.604586 -1.747483 Rho 0.6609738E-01 |GRAD(Rho)| 0.3973795E-16 GRAD(Rho)x -0.2444368E-16 GRAD(Rho)y -0.9567237E-17 GRAD(Rho)z -0.2983419E-16 Laplacian 0.2591741E+00 (-1/4)Del**2(Rho)) -0.6479352E-01 Diamond 0.1895630E+00 Metallicity 0.2872954E+01 Ellipticity 0.2791929E-01 Gb(Abramov) 0.7422048E-01 Vb(Abramov) -0.8364744E-01 Hb(Abramov) -0.9426957E-02 Ex_ueg -0.1973774E-01 Ec_ueg -0.3322309E-02 Delta_ex -0.2282992E-01 Delta_ec 0.7575916E-02 Delta_et -0.8570532E-01 Pxc 0.5940969E+01 Qxc -0.3013486E+01 3,-1 152 3 -1 -2.776173 -0.531442 1.826483 Rho 0.1458370E+00 |GRAD(Rho)| 0.8812857E-14 GRAD(Rho)x 0.1457730E-14 GRAD(Rho)y 0.5509414E-14 GRAD(Rho)z 0.6722189E-14 Laplacian 0.6108661E+00 (-1/4)Del**2(Rho)) -0.1527165E+00 Diamond 0.1198146E+01 Metallicity 0.4558058E+01 Ellipticity 0.1099311E-01 Gb(Abramov) 0.2178261E+00 Vb(Abramov) -0.2829358E+00 Hb(Abramov) -0.6510963E-01 Ex_ueg -0.5669463E-01 Ec_ueg -0.8177555E-02 Delta_ex -0.6516402E-01 Delta_ec 0.1563279E-01 Delta_et -0.2073323E+00 Pxc 0.6932956E+01 Qxc -0.4168420E+01 3,-1 153 3 -1 -0.789403 -3.436651 -1.303035 Rho 0.3123533E+00 |GRAD(Rho)| 0.5170544E-15 GRAD(Rho)x 0.1311287E-15 GRAD(Rho)y -0.5001219E-15 GRAD(Rho)z 0.5348980E-17 Laplacian -0.1606425E+01 (-1/4)Del**2(Rho)) 0.4016062E+00 Diamond 0.5464045E+01 Metallicity -0.6168264E+01 Ellipticity 0.1994894E-02 Gb(Abramov) 0.1451313E+00 Vb(Abramov) -0.6918689E+00 Hb(Abramov) -0.5467375E+00 Ex_ueg -0.1565236E+00 Ec_ueg -0.1958431E-01 Delta_ex 0.1584194E+00 Delta_ec 0.5611949E-01 Delta_et -0.1318707E+01 Pxc 0.7992296E+01 Qxc 0.2822895E+01 3,-1 154 3 +1 -0.249360 -2.244819 -1.085747 Rho 0.7568005E-02 |GRAD(Rho)| 0.8453214E-16 GRAD(Rho)x 0.3131311E-16 GRAD(Rho)y 0.6609567E-16 GRAD(Rho)z -0.4238553E-16 Laplacian 0.2994557E-01 (-1/4)Del**2(Rho)) -0.7486392E-02 Diamond 0.9410448E-03 Metallicity 0.6712995E+00 Ellipticity -0.1966753E+01 Gb(Abramov) 0.5828530E-02 Vb(Abramov) -0.4170668E-02 Hb(Abramov) 0.1657862E-02 Ex_ueg -0.1097388E-02 Ec_ueg -0.2590451E-03 Delta_ex -0.1467750E-02 Delta_ec 0.6767491E-03 Delta_et -0.4260416E-02 Pxc 0.4236282E+01 Qxc -0.2168824E+01 3,+1 155 3 -1 -0.569551 -1.774552 2.794827 Rho 0.1344142E+00 |GRAD(Rho)| 0.1350961E-15 GRAD(Rho)x 0.7308878E-16 GRAD(Rho)y 0.8801011E-16 GRAD(Rho)z -0.7185550E-16 Laplacian 0.5611604E+00 (-1/4)Del**2(Rho)) -0.1402901E+00 Diamond 0.1002731E+01 Metallicity 0.4331131E+01 Ellipticity 0.9837928E-02 Gb(Abramov) 0.1947959E+00 Vb(Abramov) -0.2493017E+00 Hb(Abramov) -0.5450578E-01 Ex_ueg -0.5085245E-01 Ec_ueg -0.7453393E-02 Delta_ex -0.5874009E-01 Delta_ec 0.1474769E-01 Delta_et -0.1933935E+00 Pxc 0.6822726E+01 Qxc -0.3983001E+01 3,-1 156 3 -1 0.484966 -1.725077 1.692389 Rho 0.5244710E-01 |GRAD(Rho)| 0.1948566E-12 GRAD(Rho)x -0.4457263E-13 GRAD(Rho)y 0.1837867E-12 GRAD(Rho)z -0.4695575E-13 Laplacian 0.2008709E+00 (-1/4)Del**2(Rho)) -0.5021772E-01 Diamond 0.1057794E+00 Metallicity 0.2520956E+01 Ellipticity 0.8413931E-02 Gb(Abramov) 0.5457793E-01 Vb(Abramov) -0.5893813E-01 Hb(Abramov) -0.4360207E-02 Ex_ueg -0.1449930E-01 Ec_ueg -0.2550581E-02 Delta_ex -0.1661813E-01 Delta_ec 0.5774950E-02 Delta_et -0.6158931E-01 Pxc 0.5684706E+01 Qxc -0.2877622E+01 3,-1 157 3 -1 2.719525 -1.806302 -0.593788 Rho 0.1396452E+00 |GRAD(Rho)| 0.4183242E-13 GRAD(Rho)x 0.4390707E-14 GRAD(Rho)y -0.3975138E-13 GRAD(Rho)z 0.1226790E-13 Laplacian 0.5785716E+00 (-1/4)Del**2(Rho)) -0.1446429E+00 Diamond 0.1084210E+01 Metallicity 0.4476783E+01 Ellipticity 0.1106199E-01 Gb(Abramov) 0.2043511E+00 Vb(Abramov) -0.2640593E+00 Hb(Abramov) -0.5970818E-01 Ex_ueg -0.5350812E-01 Ec_ueg -0.7783989E-02 Delta_ex -0.6114591E-01 Delta_ec 0.1510194E-01 Delta_et -0.1992960E+00 Pxc 0.6874126E+01 Qxc -0.4048878E+01 3,-1 158 3 -1 3.016739 0.856357 -1.960623 Rho 0.1368055E+00 |GRAD(Rho)| 0.8015904E-12 GRAD(Rho)x -0.3400766E-12 GRAD(Rho)y -0.5737832E-12 GRAD(Rho)z -0.4445987E-12 Laplacian 0.5525005E+00 (-1/4)Del**2(Rho)) -0.1381251E+00 Diamond 0.1005997E+01 Metallicity 0.4530227E+01 Ellipticity 0.3182197E-01 Gb(Abramov) 0.1963731E+00 Vb(Abramov) -0.2546211E+00 Hb(Abramov) -0.5824798E-01 Ex_ueg -0.5206229E-01 Ec_ueg -0.7604306E-02 Delta_ex -0.5805397E-01 Delta_ec 0.1441039E-01 Delta_et -0.1893998E+00 Pxc 0.6846423E+01 Qxc -0.4028619E+01 3,-1 159 3 -1 2.992302 1.975401 -0.828773 Rho 0.1451243E+00 |GRAD(Rho)| 0.2381292E-14 GRAD(Rho)x -0.1695340E-14 GRAD(Rho)y 0.8220963E-15 GRAD(Rho)z 0.1456205E-14 Laplacian 0.5753699E+00 (-1/4)Del**2(Rho)) -0.1438425E+00 Diamond 0.1127167E+01 Metallicity 0.4799905E+01 Ellipticity 0.3425452E-01 Gb(Abramov) 0.2109667E+00 Vb(Abramov) -0.2780909E+00 Hb(Abramov) -0.6712422E-01 Ex_ueg -0.5632550E-01 Ec_ueg -0.8132130E-02 Delta_ex -0.6135873E-01 Delta_ec 0.1484000E-01 Delta_et -0.1968930E+00 Pxc 0.6926291E+01 Qxc -0.4134686E+01 3,-1 160 3 -1 -3.249374 -3.109377 0.078803 Rho 0.2393950E+00 |GRAD(Rho)| 0.4162690E-15 GRAD(Rho)x -0.3689540E-15 GRAD(Rho)y -0.1345495E-15 GRAD(Rho)z 0.1380189E-15 Laplacian 0.9136487E+00 (-1/4)Del**2(Rho)) -0.2284122E+00 Diamond 0.3189194E+01 Metallicity 0.6961332E+01 Ellipticity 0.2725023E-02 Gb(Abramov) 0.4172836E+00 Vb(Abramov) -0.6061551E+00 Hb(Abramov) -0.1888715E+00 Ex_ueg -0.1097839E+00 Ec_ueg -0.1439730E-01 Delta_ex -0.1101420E+00 Delta_ec 0.1989018E-01 Delta_et -0.2741333E+00 Pxc 0.7625308E+01 Qxc -0.5537504E+01 3,-1 161 3 -1 -2.977439 -0.982251 -2.046749 Rho 0.1301875E+00 |GRAD(Rho)| 0.2202298E-09 GRAD(Rho)x 0.1120524E-09 GRAD(Rho)y 0.1417703E-09 GRAD(Rho)z -0.1258833E-09 Laplacian 0.4986574E+00 (-1/4)Del**2(Rho)) -0.1246644E+00 Diamond 0.8718627E+00 Metallicity 0.4621250E+01 Ellipticity 0.3388419E-01 Gb(Abramov) 0.1791271E+00 Vb(Abramov) -0.2335898E+00 Hb(Abramov) -0.5446274E-01 Ex_ueg -0.4873159E-01 Ec_ueg -0.7187564E-02 Delta_ex -0.5196973E-01 Delta_ec 0.1351437E-01 Delta_et -0.1768807E+00 Pxc 0.6779988E+01 Qxc -0.3845516E+01 3,-1 162 3 -1 -3.176851 0.024557 -3.150486 Rho 0.2298260E+00 |GRAD(Rho)| 0.2636889E-10 GRAD(Rho)x -0.2033542E-10 GRAD(Rho)y 0.9269458E-11 GRAD(Rho)z -0.1399522E-10 Laplacian 0.8690291E+00 (-1/4)Del**2(Rho)) -0.2172573E+00 Diamond 0.2900125E+01 Metallicity 0.6837712E+01 Ellipticity 0.2614745E-01 Gb(Abramov) 0.3924286E+00 Vb(Abramov) -0.5676000E+00 Hb(Abramov) -0.1751714E+00 Ex_ueg -0.1039722E+00 Ec_ueg -0.1373865E-01 Delta_ex -0.1037207E+00 Delta_ec 0.1926929E-01 Delta_et -0.2657270E+00 Pxc 0.7567862E+01 Qxc -0.5382695E+01 3,-1 163 3 -1 -2.733237 0.462793 -1.819213 Rho 0.6932028E-01 |GRAD(Rho)| 0.4878289E-11 GRAD(Rho)x -0.1239909E-11 GRAD(Rho)y 0.3195732E-11 GRAD(Rho)z 0.3470969E-11 Laplacian 0.2886211E+00 (-1/4)Del**2(Rho)) -0.7215526E-01 Diamond 0.2299237E+00 Metallicity 0.2792880E+01 Ellipticity 0.8290488E-02 Gb(Abramov) 0.8169034E-01 Vb(Abramov) -0.9122542E-01 Hb(Abramov) -0.9535079E-02 Ex_ueg -0.2103127E-01 Ec_ueg -0.3507811E-02 Delta_ex -0.2586925E-01 Delta_ec 0.8667581E-02 Delta_et -0.9935639E-01 Pxc 0.5995552E+01 Qxc -0.2984599E+01 3,-1 164 3 -1 -3.177272 -0.042654 3.223073 Rho 0.2405483E+00 |GRAD(Rho)| 0.6408038E-15 GRAD(Rho)x 0.2442707E-15 GRAD(Rho)y 0.2051582E-15 GRAD(Rho)z -0.5557620E-15 Laplacian 0.8959963E+00 (-1/4)Del**2(Rho)) -0.2239991E+00 Diamond 0.3158822E+01 Metallicity 0.7155570E+01 Ellipticity 0.1244622E-02 Gb(Abramov) 0.4164729E+00 Vb(Abramov) -0.6089467E+00 Hb(Abramov) -0.1924738E+00 Ex_ueg -0.1104896E+00 Ec_ueg -0.1447703E-01 Delta_ex -0.1082195E+00 Delta_ec 0.1960200E-01 Delta_et -0.2707548E+00 Pxc 0.7632067E+01 Qxc -0.5520838E+01 3,-1 165 3 -1 -1.717224 0.538272 1.738340 Rho 0.5167361E-01 |GRAD(Rho)| 0.4709392E-16 GRAD(Rho)x 0.6936353E-17 GRAD(Rho)y 0.1952771E-16 GRAD(Rho)z 0.4228939E-16 Laplacian 0.1972754E+00 (-1/4)Del**2(Rho)) -0.4931886E-01 Diamond 0.1014483E+00 Metallicity 0.2504118E+01 Ellipticity 0.8492554E-02 Gb(Abramov) 0.5346261E-01 Vb(Abramov) -0.5760637E-01 Hb(Abramov) -0.4143753E-02 Ex_ueg -0.1421489E-01 Ec_ueg -0.2507592E-02 Delta_ex -0.1624430E-01 Delta_ec 0.5645774E-02 Delta_et -0.5997390E-01 Pxc 0.5668741E+01 Qxc -0.2877249E+01 3,-1 166 3 -1 -0.598776 -2.743151 1.828818 Rho 0.1564484E+00 |GRAD(Rho)| 0.1645697E-13 GRAD(Rho)x 0.1566515E-13 GRAD(Rho)y -0.4952209E-14 GRAD(Rho)z -0.9542334E-15 Laplacian 0.6626592E+00 (-1/4)Del**2(Rho)) -0.1656648E+00 Diamond 0.1413004E+01 Metallicity 0.4723618E+01 Ellipticity 0.2343026E-01 Gb(Abramov) 0.2408661E+00 Vb(Abramov) -0.3160674E+00 Hb(Abramov) -0.7520127E-01 Ex_ueg -0.6226059E-01 Ec_ueg -0.8857574E-02 Delta_ex -0.7191020E-01 Delta_ec 0.1664552E-01 Delta_et -0.2228720E+00 Pxc 0.7029079E+01 Qxc -0.4320093E+01 3,-1 167 3 -1 -0.075456 -3.173674 3.193063 Rho 0.2402370E+00 |GRAD(Rho)| 0.1065849E-13 GRAD(Rho)x -0.5306302E-14 GRAD(Rho)y 0.9238704E-14 GRAD(Rho)z -0.3046608E-15 Laplacian 0.8967840E+00 (-1/4)Del**2(Rho)) -0.2241960E+00 Diamond 0.3154942E+01 Metallicity 0.7133869E+01 Ellipticity 0.2510777E-02 Gb(Abramov) 0.4160281E+00 Vb(Abramov) -0.6078603E+00 Hb(Abramov) -0.1918321E+00 Ex_ueg -0.1102990E+00 Ec_ueg -0.1445550E-01 Delta_ex -0.1082687E+00 Delta_ec 0.1961038E-01 Delta_et -0.2707868E+00 Pxc 0.7630246E+01 Qxc -0.5520991E+01 3,-1 168 3 -1 -0.000930 -3.269895 -1.259928 Rho 0.3885980E-01 |GRAD(Rho)| 0.6365175E-16 GRAD(Rho)x -0.6255752E-16 GRAD(Rho)y 0.1043091E-16 GRAD(Rho)z -0.5412761E-17 Laplacian 0.1144241E+00 (-1/4)Del**2(Rho)) -0.2860602E-01 Diamond 0.6530735E-01 Metallicity 0.2684912E+01 Ellipticity 0.1491120E-02 Gb(Abramov) 0.3187145E-01 Vb(Abramov) -0.3513689E-01 Hb(Abramov) -0.3265435E-02 Ex_ueg -0.9721184E-02 Ec_ueg -0.1809037E-02 Delta_ex -0.1030009E-01 Delta_ec 0.6014205E-02 Delta_et -0.5955444E-01 Pxc 0.5373678E+01 Qxc -0.1712628E+01 3,-1 169 3 -1 0.497601 1.660184 -1.685397 Rho 0.5752220E-01 |GRAD(Rho)| 0.3251575E-15 GRAD(Rho)x -0.9994650E-16 GRAD(Rho)y 0.2628648E-15 GRAD(Rho)z -0.1632182E-15 Laplacian 0.2205943E+00 (-1/4)Del**2(Rho)) -0.5514857E-01 Diamond 0.1319338E+00 Metallicity 0.2677594E+01 Ellipticity 0.9594495E-02 Gb(Abramov) 0.6137663E-01 Vb(Abramov) -0.6760469E-01 Hb(Abramov) -0.6228059E-02 Ex_ueg -0.1639957E-01 Ec_ueg -0.2834707E-02 Delta_ex -0.1869302E-01 Delta_ec 0.6351201E-02 Delta_et -0.6935023E-01 Pxc 0.5785277E+01 Qxc -0.2943226E+01 3,-1 170 3 -1 2.764445 1.789872 0.571357 Rho 0.1474000E+00 |GRAD(Rho)| 0.1236382E-15 GRAD(Rho)x 0.3127246E-16 GRAD(Rho)y 0.3350185E-16 GRAD(Rho)z 0.1148306E-15 Laplacian 0.6226478E+00 (-1/4)Del**2(Rho)) -0.1556619E+00 Diamond 0.1239348E+01 Metallicity 0.4551975E+01 Ellipticity 0.1110440E-01 Gb(Abramov) 0.2218695E+00 Vb(Abramov) -0.2880771E+00 Hb(Abramov) -0.6620757E-01 Ex_ueg -0.5750625E-01 Ec_ueg -0.8277285E-02 Delta_ex -0.6661855E-01 Delta_ec 0.1593535E-01 Delta_et -0.2117646E+00 Pxc 0.6947477E+01 Qxc -0.4180553E+01 3,-1 171 3 -1 -2.795611 -1.756486 0.573007 Rho 0.1344095E+00 |GRAD(Rho)| 0.6069574E-14 GRAD(Rho)x 0.2658118E-14 GRAD(Rho)y 0.5066463E-14 GRAD(Rho)z 0.2026103E-14 Laplacian 0.5632227E+00 (-1/4)Del**2(Rho)) -0.1408057E+00 Diamond 0.1005506E+01 Metallicity 0.4315020E+01 Ellipticity 0.9286401E-02 Gb(Abramov) 0.1951337E+00 Vb(Abramov) -0.2494617E+00 Hb(Abramov) -0.5432800E-01 Ex_ueg -0.5085007E-01 Ec_ueg -0.7453095E-02 Delta_ex -0.5894545E-01 Delta_ec 0.1478416E-01 Delta_et -0.1938358E+00 Pxc 0.6822679E+01 Qxc -0.3987069E+01 3,-1 172 3 -1 -1.840074 -2.726763 0.589246 Rho 0.1279690E+00 |GRAD(Rho)| 0.1980729E-15 GRAD(Rho)x -0.1614648E-15 GRAD(Rho)y 0.1146374E-15 GRAD(Rho)z -0.4499439E-17 Laplacian 0.5382919E+00 (-1/4)Del**2(Rho)) -0.1345730E+00 Diamond 0.9116998E+00 Metallicity 0.4160094E+01 Ellipticity 0.1909236E-01 Gb(Abramov) 0.1830214E+00 Vb(Abramov) -0.2314697E+00 Hb(Abramov) -0.4844838E-01 Ex_ueg -0.4762752E-01 Ec_ueg -0.7048510E-02 Delta_ex -0.5574442E-01 Delta_ec 0.1442291E-01 Delta_et -0.1878257E+00 Pxc 0.6757105E+01 Qxc -0.3864992E+01 3,-1 173 3 -1 1.955153 -0.871394 2.989929 Rho 0.1422941E+00 |GRAD(Rho)| 0.2829138E-13 GRAD(Rho)x 0.1676986E-13 GRAD(Rho)y 0.1902066E-13 GRAD(Rho)z -0.1254545E-13 Laplacian 0.5599901E+00 (-1/4)Del**2(Rho)) -0.1399975E+00 Diamond 0.1073750E+01 Metallicity 0.4772482E+01 Ellipticity 0.3398448E-01 Gb(Abramov) 0.2046876E+00 Vb(Abramov) -0.2693777E+00 Hb(Abramov) -0.6469011E-01 Ex_ueg -0.5486570E-01 Ec_ueg -0.7952065E-02 Delta_ex -0.5945755E-01 Delta_ec 0.1455806E-01 Delta_et -0.1926845E+00 Pxc 0.6899554E+01 Qxc -0.4084166E+01 3,-1 174 3 -1 0.859097 2.943242 -1.961725 Rho 0.1371956E+00 |GRAD(Rho)| 0.5549142E-13 GRAD(Rho)x -0.1418860E-13 GRAD(Rho)y 0.3735817E-13 GRAD(Rho)z 0.3850128E-13 Laplacian 0.5441547E+00 (-1/4)Del**2(Rho)) -0.1360387E+00 Diamond 0.9962216E+00 Metallicity 0.4621585E+01 Ellipticity 0.3912174E-01 Gb(Abramov) 0.1954782E+00 Vb(Abramov) -0.2549177E+00 Hb(Abramov) -0.5943950E-01 Ex_ueg -0.5226030E-01 Ec_ueg -0.7628955E-02 Delta_ex -0.5723927E-01 Delta_ec 0.1422355E-01 Delta_et -0.1871084E+00 Pxc 0.6850256E+01 Qxc -0.4024261E+01 3,-1 175 3 -1 -1.976764 0.875108 3.031864 Rho 0.1399573E+00 |GRAD(Rho)| 0.5364723E-14 GRAD(Rho)x -0.3006411E-14 GRAD(Rho)y -0.3942417E-14 GRAD(Rho)z -0.2049169E-14 Laplacian 0.5507901E+00 (-1/4)Del**2(Rho)) -0.1376975E+00 Diamond 0.1031338E+01 Metallicity 0.4720117E+01 Ellipticity 0.4039480E-01 Gb(Abramov) 0.2001231E+00 Vb(Abramov) -0.2625487E+00 Hb(Abramov) -0.6242556E-01 Ex_ueg -0.5366762E-01 Ec_ueg -0.7803767E-02 Delta_ex -0.5820228E-01 Delta_ec 0.1429913E-01 Delta_et -0.1886222E+00 Pxc 0.6877143E+01 Qxc -0.4070337E+01 3,-1 176 3 -1 3.172572 3.181154 0.078786 Rho 0.2418091E+00 |GRAD(Rho)| 0.2246404E-14 GRAD(Rho)x -0.1426918E-14 GRAD(Rho)y -0.1672382E-14 GRAD(Rho)z -0.4619243E-15 Laplacian 0.8900447E+00 (-1/4)Del**2(Rho)) -0.2225112E+00 Diamond 0.3166311E+01 Metallicity 0.7266452E+01 Ellipticity 0.1370503E-02 Gb(Abramov) 0.4178186E+00 Vb(Abramov) -0.6131260E+00 Hb(Abramov) -0.1953074E+00 Ex_ueg -0.1112624E+00 Ec_ueg -0.1456426E-01 Delta_ex -0.1076934E+00 Delta_ec 0.1952294E-01 Delta_et -0.2700699E+00 Pxc 0.7639415E+01 Qxc -0.5516250E+01 3,-1 177 3 -1 0.864324 1.936181 -2.958794 Rho 0.1288085E+00 |GRAD(Rho)| 0.1361950E-15 GRAD(Rho)x -0.5895349E-17 GRAD(Rho)y 0.1336008E-15 GRAD(Rho)z -0.2579046E-16 Laplacian 0.5068104E+00 (-1/4)Del**2(Rho)) -0.1267026E+00 Diamond 0.8596927E+00 Metallicity 0.4466924E+01 Ellipticity 0.3457093E-01 Gb(Abramov) 0.1787969E+00 Vb(Abramov) -0.2308912E+00 Hb(Abramov) -0.5209428E-01 Ex_ueg -0.4804459E-01 Ec_ueg -0.7101093E-02 Delta_ex -0.5250002E-01 Delta_ec 0.1343948E-01 Delta_et -0.1749954E+00 Pxc 0.6765802E+01 Qxc -0.3906402E+01 3,-1 178 3 -1 2.764702 0.539040 1.784324 Rho 0.1383839E+00 |GRAD(Rho)| 0.3595978E-15 GRAD(Rho)x 0.1164636E-15 GRAD(Rho)y 0.1119303E-15 GRAD(Rho)z -0.3212762E-15 Laplacian 0.5829466E+00 (-1/4)Del**2(Rho)) -0.1457366E+00 Diamond 0.1081008E+01 Metallicity 0.4376499E+01 Ellipticity 0.1186355E-01 Gb(Abramov) 0.2034605E+00 Vb(Abramov) -0.2611843E+00 Hb(Abramov) -0.5772384E-01 Ex_ueg -0.5286469E-01 Ec_ueg -0.7704113E-02 Delta_ex -0.6147763E-01 Delta_ec 0.1525833E-01 Delta_et -0.2010961E+00 Pxc 0.6861879E+01 Qxc -0.4029118E+01 3,-1 179 3 -1 0.833110 -2.991978 1.991791 Rho 0.1483801E+00 |GRAD(Rho)| 0.2028836E-15 GRAD(Rho)x 0.6037651E-16 GRAD(Rho)y -0.5082198E-17 GRAD(Rho)z -0.1936250E-15 Laplacian 0.5834727E+00 (-1/4)Del**2(Rho)) -0.1458682E+00 Diamond 0.1171322E+01 Metallicity 0.4911552E+01 Ellipticity 0.5386004E-01 Gb(Abramov) 0.2166520E+00 Vb(Abramov) -0.2874358E+00 Hb(Abramov) -0.7078379E-01 Ex_ueg -0.5801664E-01 Ec_ueg -0.8339898E-02 Delta_ex -0.6253537E-01 Delta_ec 0.1492038E-01 Delta_et -0.1984914E+00 Pxc 0.6956517E+01 Qxc -0.4191271E+01 3,-1 180 3 -1 -0.513020 -0.397751 -0.398823 Rho 0.1436121E+00 |GRAD(Rho)| 0.1439383E-11 GRAD(Rho)x 0.9155638E-12 GRAD(Rho)y 0.7766852E-12 GRAD(Rho)z 0.7939301E-12 Laplacian 0.7768105E+00 (-1/4)Del**2(Rho)) -0.1942026E+00 Diamond 0.1797773E+01 Metallicity 0.3493679E+01 Ellipticity 0.3152566E-01 Gb(Abramov) 0.2425487E+00 Vb(Abramov) -0.2908947E+00 Hb(Abramov) -0.4834607E-01 Ex_ueg -0.5554432E-01 Ec_ueg -0.8035857E-02 Delta_ex -0.8574342E-01 Delta_ec 0.2564713E-01 Delta_et -0.3516881E+00 Pxc 0.6912060E+01 Qxc -0.3343197E+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 80 156 155 166 140 179 167 137 180 99 77 169 80 85 177 174 89 93 84 88 135 132 92 109 157 103 123 105 147 111 170 115 159 114 176 129 59 130 60 133 128 64 171 172 62 61 160 151 163 148 161 149 162 165 152 58 56 175 164 125 178 145 117 173 127 143 120 119 158 146 126 108 144 121 107 141 75 91 138 168 153 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 18 21 21 22 25 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 20 36 52 24 27 52 53 53 2.364022 1.956826 1.895688 1.948306 1.928888 1.742755 1.657389 1.637919 1.657972 1.662108 2.326217 1.899343 1.909866 1.985313 1.959565 1.743761 2.359230 1.930473 1.951189 1.946740 1.903187 1.744312 2.373327 1.941880 1.804606 2.084855 1.977033 1.749872 2.433408 1.919185 1.916327 1.936963 1.941054 1.740548 2.363398 1.811744 1.966504 1.958224 2.035862 1.749586 2.285693 1.956221 1.975538 1.910540 1.929402 1.743551 2.257591 2.224237 1.958837 1.981660 1.752304 1.759869 2.371317 1.924963 1.916746 1.944465 1.952189 1.742331 2.427104 1.943533 1.958519 1.874392 1.944764 1.742889 2.433920 1.936537 1.914928 1.958882 1.924279 1.742253 3.261043 3.105043 3.235418 3.145095 1.006063 3.210049 3.204153 1.692308 1.746849 1.003427 2.364673 1.957191 1.896134 1.948897 1.929416 1.742763 1.657398 1.637990 1.657980 1.662115 2.326821 1.899724 1.910301 1.985868 1.960100 1.743773 2.359923 1.930859 1.951533 1.947262 1.903700 1.744325 2.373974 1.942199 1.804718 2.085345 1.977590 1.749886 2.434031 1.919606 1.916771 1.937484 1.941622 1.740557 2.363943 1.812082 1.966820 1.958710 2.036367 1.749600 2.286522 1.956646 1.975919 1.911087 1.930491 1.743567 2.258458 2.224599 1.959198 1.982216 1.752311 1.759895 2.371957 1.925417 1.917150 1.945017 1.952724 1.742339 2.427749 1.943906 1.958899 1.874849 1.945261 1.742901 2.434453 1.937040 1.916198 1.959408 1.924800 1.742258 3.329562 3.106722 3.240012 3.149533 1.006158 3.215576 3.210355 1.697916 1.748147 1.003540 27 25 25 25 23 22 22 20 22 25 27 28 23 23 23 23 27 23 23 24 24 27 30 23 24 27 24 22 27 26 26 23 25 23 27 22 25 23 25 23 28 23 23 23 23 21 27 26 23 25 22 23 27 25 23 23 23 22 27 23 23 26 23 23 28 27 28 23 23 21 37 33 35 35 20 35 35 25 24 22 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W Si W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.4727 2.4569 2.4787 2.4813 2.4164 2.4778 2.4483 2.4776 2.3950 2.4677 2.4678 2.4557 -1.1662 -1.1198 -1.1644 -1.1714 -0.9583 -0.9741 -0.9115 -0.9637 -0.7720 -0.9645 -0.9748 -0.9580 -0.9630 -0.9624 -0.9615 -0.9036 -0.9650 -0.9879 -0.9728 -0.9772 -0.9738 -0.9715 -0.9721 -0.7981 -0.7971 -0.9731 -0.9799 -0.9730 -0.7995 -0.8004 -0.7985 -0.8052 -0.8199 -0.7968 -0.8198 -0.7945 -0.8380 -0.7989 -0.8041 0.2913 0.3188 2.0966 2.3079 2.0996 2.0950 2.1206 2.0950 2.1038 2.1177 2.1345 2.0983 2.0988 2.1049 1.8954 1.8964 1.8951 1.8944 1.9326 1.9311 1.9449 1.9323 1.8779 1.9320 1.9314 1.9325 1.9324 1.9316 1.9326 1.9558 1.9441 1.9421 1.9419 1.9425 1.9419 1.9429 1.9422 1.9588 1.8779 1.9430 1.9420 1.9426 1.9640 1.9628 1.9642 1.9624 1.9606 1.9648 1.9610 1.9634 1.9561 1.9642 1.9632 0.5467 0.5287 6.0947 6.6457 6.0943 6.0893 6.1086 6.0936 6.0942 6.0967 6.0954 6.0958 6.0939 6.1063 5.2421 5.1958 5.2412 5.2475 4.9959 5.0126 4.9354 5.0009 4.8622 5.0036 5.0130 4.9953 5.0003 4.9997 4.9986 4.9148 4.9899 5.0123 4.9988 5.0023 4.9993 4.9969 4.9974 4.8058 4.8881 4.9993 5.0057 4.9981 4.8007 4.8028 4.7996 4.8082 4.8256 4.7968 4.8251 4.7965 4.8497 4.7999 4.8061 0.1620 0.1525 3.3059 0.5896 3.2972 3.3043 3.3251 3.3037 3.3241 3.2781 3.3463 3.3082 3.3097 3.3037 0.0286 0.0276 0.0282 0.0295 0.0298 0.0303 0.0312 0.0305 0.0319 0.0289 0.0304 0.0302 0.0304 0.0312 0.0304 0.0329 0.0310 0.0335 0.0322 0.0325 0.0326 0.0317 0.0326 0.0336 0.0311 0.0307 0.0322 0.0323 0.0348 0.0348 0.0347 0.0346 0.0337 0.0352 0.0337 0.0346 0.0322 0.0349 0.0348 0.0000 0.0000 14.0301 0.0000 14.0301 14.0300 14.0292 14.0299 14.0297 14.0299 14.0289 14.0299 14.0298 14.0295 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 Si W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.517914 1.772418 2.521207 2.516940 2.491838 2.516529 2.498270 2.539228 2.497912 2.514893 2.512492 2.514887 -1.067996 -1.020462 -1.068662 -1.070867 -0.959695 -0.966308 -0.936473 -0.961384 -0.624001 -0.968903 -0.959100 -0.960931 -0.964557 -0.958088 -0.961612 -0.765792 -0.956531 -0.952732 -0.955718 -0.957114 -0.955520 -0.948909 -0.954997 -0.844444 -0.618650 -0.961320 -0.958084 -0.953199 -0.834419 -0.840579 -0.833646 -0.842808 -0.863037 -0.830619 -0.861013 -0.828103 -0.882463 -0.834008 -0.840473 0.049464 0.059226 1.932279 1.360807 1.938490 1.933637 1.907504 1.934377 1.925144 1.956158 1.941857 1.932532 1.932733 1.940028 -0.748458 -0.721425 -0.750751 -0.748002 -0.715864 -0.728233 -0.732289 -0.719559 -0.754473 -0.721799 -0.705450 -0.723683 -0.726070 -0.712274 -0.720894 -0.634274 -0.802387 -0.776475 -0.780181 -0.788526 -0.784513 -0.770205 -0.787967 -0.746279 -0.786489 -0.805674 -0.788126 -0.785028 -0.739650 -0.734424 -0.738114 -0.749116 -0.770840 -0.734849 -0.765619 -0.723641 -0.799619 -0.738965 -0.745726 0.284270 0.286097 2.035147 1.305642 2.039349 2.036204 2.003162 2.037474 2.022288 2.061418 2.024293 2.035720 2.036245 2.040846 -0.799359 -0.786154 -0.804451 -0.806148 -0.799906 -0.810254 -0.788658 -0.795914 -0.788012 -0.803947 -0.792135 -0.793668 -0.797620 -0.814686 -0.796753 -0.739732 -0.831193 -0.804836 -0.822967 -0.828013 -0.817514 -0.815287 -0.819691 -0.735553 -0.806415 -0.835597 -0.830793 -0.821014 -0.704338 -0.713922 -0.704688 -0.716616 -0.739382 -0.700610 -0.733072 -0.704548 -0.784774 -0.703984 -0.713767 0.359508 0.368680 3.23942955 -2.05329281 -0.04518695 3.83561691 -15.92443081 4.45280641 -10.19107117 12.34196977 10.80077781 3.58246104 -391.8250 409.1641 -32.3307 -407.5011 -42.7509 -465.2435 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 0 Mar10-2024 16:58:14 Nodes: 1 Procs: 1 Mar10-2024 16:58:15 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar10-2024 16:58:15 Nodes: 1 Procs: 1 Mar10-2024 16:58:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar10-2024 16:58:16 Nodes: 1 Procs: 1 Mar10-2024 16:58:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar10-2024 16:58:19 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -17.05074429 -17.07865377 -17.08706532 -17.09039698 -17.09411184 -17.09508388 -17.09575870 -17.09614668 -17.09653711 -17.09673652 -17.09689154 -17.09718443 -17.09723282 -17.09732298 -17.09735403 -17.09737019 -17.09738213 -17.09738608 GEOMETRY CONVERGED