ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar13-2024 05:33:19 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.01 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 Mar13-2024 05:33:19 Nodes: 1 Procs: 1 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar13-2024 05:33:20 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.02 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Mar13-2024 05:33:19 Nodes: 1 Procs: 1 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 0 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar13-2024 05:33:21 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.50 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 Mar13-2024 05:33:19 Nodes: 1 Procs: 1 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 0 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar13-2024 05:33:21 Nodes: 1 Procs: 1 Mar13-2024 05:33:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar13-2024 05:33:22 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 0.04 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Mar13-2024 05:33:19 Nodes: 1 Procs: 1 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 0 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar13-2024 05:33:21 Nodes: 1 Procs: 1 Mar13-2024 05:33:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar13-2024 05:33:22 Nodes: 1 Procs: 1 Mar13-2024 05:33:23 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar13-2024 05:33:25 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2229.513361 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-0.001870 Rho 0.3189399E+03 3,-3 35 3 -3 2.407443 -2.408738 2.046060 Rho 0.3189738E+03 3,-3 36 3 -3 0.675514 -4.669137 2.526665 Rho 0.3192499E+03 3,-3 37 3 -3 2.014767 -0.094724 3.387323 Rho 0.3189915E+03 3,-3 38 3 -3 0.143103 -2.082168 -3.439875 Rho 0.3189214E+03 3,-3 39 3 -3 1.376310 3.507565 1.343607 Rho 0.3189364E+03 3,-3 40 3 -3 0.820234 -4.667350 -2.540363 Rho 0.3192812E+03 3,-3 41 3 -3 4.629044 -0.660889 -2.531061 Rho 0.3192779E+03 3,-3 42 3 -3 -0.929890 4.408780 2.794177 Rho 0.3193018E+03 3,-3 43 3 -3 4.619218 -0.728736 2.505923 Rho 0.3192632E+03 3,-3 44 3 -3 -0.182512 0.009626 0.001198 Rho 0.2439614E+04 3,-3 45 3 -3 -2.111346 1.299051 1.084365 Rho 0.4277715E+00 3,-3 46 3 -3 -2.112135 1.296052 -1.087401 Rho 0.4279990E+00 3,-3 47 3 -3 -1.383110 -3.033816 -0.339114 Rho 0.4279967E+00 3,-3 48 3 +1 -1.453816 1.150906 2.474276 Rho 0.8378174E-02 |GRAD(Rho)| 0.2066016E-14 GRAD(Rho)x 0.1748806E-14 GRAD(Rho)y -0.1818396E-15 GRAD(Rho)z 0.1084913E-14 Laplacian 0.3806875E-01 (-1/4)Del**2(Rho)) -0.9517189E-02 Diamond 0.1180355E-02 Metallicity 0.6255952E+00 Ellipticity -0.1460670E+01 Gb(Abramov) 0.7337110E-02 Vb(Abramov) -0.5157032E-02 Hb(Abramov) 0.2180078E-02 Ex_ueg -0.1256756E-02 Ec_ueg -0.2950660E-03 Delta_ex -0.1819692E-02 Delta_ec 0.6999768E-03 Delta_et -0.4617716E-02 Pxc 0.4259237E+01 Qxc -0.2599647E+01 3,+1 49 3 -1 -1.946504 0.927891 -2.304537 Rho 0.1004924E-01 |GRAD(Rho)| 0.4263980E-15 GRAD(Rho)x 0.8876815E-16 GRAD(Rho)y 0.3063238E-15 GRAD(Rho)z 0.2830215E-15 Laplacian 0.4055448E-01 (-1/4)Del**2(Rho)) -0.1013862E-01 Diamond 0.2893342E-02 Metallicity 0.7951757E+00 Ellipticity 0.2702894E+00 Gb(Abramov) 0.8102744E-02 Vb(Abramov) -0.6066868E-02 Hb(Abramov) 0.2035876E-02 Ex_ueg -0.1601632E-02 Ec_ueg -0.3702811E-03 Delta_ex -0.2495573E-02 Delta_ec 0.1584521E-02 Delta_et -0.1049028E-01 Pxc 0.4325450E+01 Qxc -0.1574970E+01 3,-1 50 3 -1 -1.944951 0.885226 -0.723561 Rho 0.4370827E-01 |GRAD(Rho)| 0.6071610E-16 GRAD(Rho)x 0.1938512E-16 GRAD(Rho)y -0.2426679E-16 GRAD(Rho)z -0.5217073E-16 Laplacian 0.1176056E+00 (-1/4)Del**2(Rho)) -0.2940140E-01 Diamond 0.7529469E-01 Metallicity 0.3177785E+01 Ellipticity 0.3971193E-02 Gb(Abramov) 0.3517282E-01 Vb(Abramov) -0.4094424E-01 Hb(Abramov) -0.5771421E-02 Ex_ueg -0.1137112E-01 Ec_ueg -0.2070161E-02 Delta_ex -0.1068171E-01 Delta_ec 0.5868027E-02 Delta_et -0.6013903E-01 Pxc 0.5492866E+01 Qxc -0.1820324E+01 3,-1 51 3 +3 -1.458023 1.995875 -0.000254 Rho 0.6714050E-02 |GRAD(Rho)| 0.1050168E-16 GRAD(Rho)x -0.6203882E-17 GRAD(Rho)y -0.8435102E-17 GRAD(Rho)z 0.8038034E-18 Laplacian 0.2913088E-01 (-1/4)Del**2(Rho)) -0.7282721E-02 Diamond 0.3938266E-03 Metallicity 0.5652412E+00 Ellipticity -0.6105670E+00 Gb(Abramov) 0.5541230E-02 Vb(Abramov) -0.3799738E-02 Hb(Abramov) 0.1741491E-02 Ex_ueg -0.9354728E-03 Ec_ueg -0.2214051E-03 Delta_ex -0.1148809E-02 Delta_ec 0.2276999E-03 Delta_et -0.1617165E-02 Pxc 0.4225164E+01 Qxc -0.5045279E+01 3,+3 52 3 -1 -1.939399 0.948086 2.329076 Rho 0.9898315E-02 |GRAD(Rho)| 0.1195542E-14 GRAD(Rho)x 0.1111224E-14 GRAD(Rho)y 0.1429169E-15 GRAD(Rho)z 0.4172245E-15 Laplacian 0.3984058E-01 (-1/4)Del**2(Rho)) -0.9960144E-02 Diamond 0.2807861E-02 Metallicity 0.7892652E+00 Ellipticity 0.2399613E+00 Gb(Abramov) 0.7950295E-02 Vb(Abramov) -0.5940447E-02 Hb(Abramov) 0.2009849E-02 Ex_ueg -0.1569640E-02 Ec_ueg -0.3634384E-03 Delta_ex -0.2452846E-02 Delta_ec 0.1571876E-02 Delta_et -0.1035474E-01 Pxc 0.4318861E+01 Qxc -0.1560458E+01 3,-1 53 3 +1 -1.080189 1.425699 -0.698076 Rho 0.1258521E-01 |GRAD(Rho)| 0.1958467E-16 GRAD(Rho)x 0.4571262E-17 GRAD(Rho)y 0.1523489E-16 GRAD(Rho)z -0.1142632E-16 Laplacian 0.5358265E-01 (-1/4)Del**2(Rho)) -0.1339566E-01 Diamond 0.2474481E-02 Metallicity 0.8757020E+00 Ellipticity -0.1544201E+01 Gb(Abramov) 0.1088554E-01 Vb(Abramov) -0.8375423E-02 Hb(Abramov) 0.2510119E-02 Ex_ueg -0.2162049E-02 Ec_ueg -0.4866512E-03 Delta_ex -0.2716663E-02 Delta_ec 0.7838590E-03 Delta_et -0.5880198E-02 Pxc 0.4442708E+01 Qxc -0.3465754E+01 3,+1 54 3 +3 -1.002112 0.674973 1.721751 Rho 0.4705471E-02 |GRAD(Rho)| 0.7999798E-15 GRAD(Rho)x 0.7599834E-16 GRAD(Rho)y -0.7670617E-15 GRAD(Rho)z 0.2140289E-15 Laplacian 0.1900925E-01 (-1/4)Del**2(Rho)) -0.4752312E-02 Diamond 0.1434894E-03 Metallicity 0.4789828E+00 Ellipticity -0.5428980E+00 Gb(Abramov) 0.3547588E-02 Vb(Abramov) -0.2342863E-02 Hb(Abramov) 0.1204725E-02 Ex_ueg -0.5823568E-03 Ec_ueg -0.1342601E-03 Delta_ex -0.6672767E-03 Delta_ec 0.1220794E-03 Delta_et -0.8448610E-03 Pxc 0.4337527E+01 Qxc -0.5465922E+01 3,+3 55 3 +1 -1.458981 1.134400 -2.458440 Rho 0.8490049E-02 |GRAD(Rho)| 0.5905935E-15 GRAD(Rho)x 0.2162906E-15 GRAD(Rho)y 0.5101281E-15 GRAD(Rho)z 0.2044220E-15 Laplacian 0.3841600E-01 (-1/4)Del**2(Rho)) -0.9604000E-02 Diamond 0.1206051E-02 Metallicity 0.6337988E+00 Ellipticity -0.1464735E+01 Gb(Abramov) 0.7417167E-02 Vb(Abramov) -0.5230334E-02 Hb(Abramov) 0.2186833E-02 Ex_ueg -0.1279181E-02 Ec_ueg -0.3000633E-03 Delta_ex -0.1839066E-02 Delta_ec 0.7008657E-03 Delta_et -0.4643821E-02 Pxc 0.4263037E+01 Qxc -0.2623992E+01 3,+1 56 3 +1 -1.082603 1.423852 0.698426 Rho 0.1262496E-01 |GRAD(Rho)| 0.2764148E-16 GRAD(Rho)x 0.2260606E-16 GRAD(Rho)y 0.1143381E-17 GRAD(Rho)z -0.1586537E-16 Laplacian 0.5381268E-01 (-1/4)Del**2(Rho)) -0.1345317E-01 Diamond 0.2506236E-02 Metallicity 0.8765533E+00 Ellipticity -0.1550027E+01 Gb(Abramov) 0.1093418E-01 Vb(Abramov) -0.8415197E-02 Hb(Abramov) 0.2518986E-02 Ex_ueg -0.2171159E-02 Ec_ueg -0.4884955E-03 Delta_ex -0.2733365E-02 Delta_ec 0.7922272E-03 Delta_et -0.5944393E-02 Pxc 0.4444583E+01 Qxc -0.3450229E+01 3,+1 57 3 +1 -1.793240 2.436681 -0.000509 Rho 0.7450306E-02 |GRAD(Rho)| 0.1704890E-16 GRAD(Rho)x 0.5675640E-17 GRAD(Rho)y 0.5128412E-17 GRAD(Rho)z 0.1523652E-16 Laplacian 0.3237115E-01 (-1/4)Del**2(Rho)) -0.8092788E-02 Diamond 0.9018861E-03 Metallicity 0.6049858E+00 Ellipticity -0.1509957E+01 Gb(Abramov) 0.6211196E-02 Vb(Abramov) -0.4329604E-02 Hb(Abramov) 0.1881592E-02 Ex_ueg -0.1074692E-02 Ec_ueg -0.2538371E-03 Delta_ex -0.1529728E-02 Delta_ec 0.6399572E-03 Delta_et -0.4059040E-02 Pxc 0.4233786E+01 Qxc -0.2390360E+01 3,+1 58 3 +3 -0.865901 -1.780310 -0.009391 Rho 0.3951959E-02 |GRAD(Rho)| 0.1055110E-15 GRAD(Rho)x 0.4051232E-16 GRAD(Rho)y 0.9737152E-16 GRAD(Rho)z -0.3180609E-17 Laplacian 0.1582869E-01 (-1/4)Del**2(Rho)) -0.3957173E-02 Diamond 0.1538282E-03 Metallicity 0.4300533E+00 Ellipticity -0.8617109E+00 Gb(Abramov) 0.2921748E-02 Vb(Abramov) -0.1886323E-02 Hb(Abramov) 0.1035425E-02 Ex_ueg -0.4614610E-03 Ec_ueg -0.1020939E-03 Delta_ex -0.6061884E-03 Delta_ec 0.2368798E-03 Delta_et -0.1306292E-02 Pxc 0.4519965E+01 Qxc -0.2559055E+01 3,+3 59 3 +3 1.173976 1.107254 -1.669361 Rho 0.4130408E-02 |GRAD(Rho)| 0.2779803E-16 GRAD(Rho)x -0.7887319E-17 GRAD(Rho)y 0.7154993E-17 GRAD(Rho)z 0.2567736E-16 Laplacian 0.1715706E-01 (-1/4)Del**2(Rho)) -0.4289264E-02 Diamond 0.1311167E-03 Metallicity 0.4270631E+00 Ellipticity -0.2556820E+00 Gb(Abramov) 0.3164807E-02 Vb(Abramov) -0.2040350E-02 Hb(Abramov) 0.1124457E-02 Ex_ueg -0.4894508E-03 Ec_ueg -0.1096848E-03 Delta_ex -0.6088746E-03 Delta_ec 0.1586701E-03 Delta_et -0.9704112E-03 Pxc 0.4462338E+01 Qxc -0.3837363E+01 3,+3 60 3 +1 -1.329068 -0.057349 1.644257 Rho 0.6030006E-02 |GRAD(Rho)| 0.6832817E-17 GRAD(Rho)x -0.3213315E-17 GRAD(Rho)y 0.1531321E-17 GRAD(Rho)z 0.5832414E-17 Laplacian 0.2386336E-01 (-1/4)Del**2(Rho)) -0.5965841E-02 Diamond 0.5869732E-03 Metallicity 0.5768697E+00 Ellipticity -0.1995428E+01 Gb(Abramov) 0.4550813E-02 Vb(Abramov) -0.3135784E-02 Hb(Abramov) 0.1415028E-02 Ex_ueg -0.8106039E-03 Ec_ueg -0.1915039E-03 Delta_ex -0.1137456E-02 Delta_ec 0.5848660E-03 Delta_et -0.3425384E-02 Pxc 0.4232832E+01 Qxc -0.1944815E+01 3,+1 61 3 -1 0.167233 -0.371418 -2.369705 Rho 0.4290701E-01 |GRAD(Rho)| 0.1091582E-13 GRAD(Rho)x -0.1181580E-14 GRAD(Rho)y 0.9597094E-14 GRAD(Rho)z -0.5065059E-14 Laplacian 0.1641178E+00 (-1/4)Del**2(Rho)) -0.4102945E-01 Diamond 0.6761480E-01 Metallicity 0.2208028E+01 Ellipticity 0.1035990E-01 Gb(Abramov) 0.4245199E-01 Vb(Abramov) -0.4387453E-01 Hb(Abramov) -0.1422544E-02 Ex_ueg -0.1109403E-01 Ec_ueg -0.2026723E-02 Delta_ex -0.1300346E-01 Delta_ec 0.4899404E-02 Delta_et -0.4961765E-01 Pxc 0.5473875E+01 Qxc -0.2654091E+01 3,-1 62 3 +1 -1.298176 -0.079284 -1.631856 Rho 0.6358674E-02 |GRAD(Rho)| 0.8319143E-17 GRAD(Rho)x 0.1902563E-17 GRAD(Rho)y 0.1730912E-17 GRAD(Rho)z -0.7911533E-17 Laplacian 0.2536290E-01 (-1/4)Del**2(Rho)) -0.6340724E-02 Diamond 0.6464063E-03 Metallicity 0.5929597E+00 Ellipticity -0.1884859E+01 Gb(Abramov) 0.4853782E-02 Vb(Abramov) -0.3366839E-02 Hb(Abramov) 0.1486942E-02 Ex_ueg -0.8700424E-03 Ec_ueg -0.2058426E-03 Delta_ex -0.1206822E-02 Delta_ec 0.5930331E-03 Delta_et -0.3541433E-02 Pxc 0.4226736E+01 Qxc -0.2034999E+01 3,+1 63 3 -1 -0.129987 -0.000360 -4.506302 Rho 0.2325524E+00 |GRAD(Rho)| 0.3712955E-14 GRAD(Rho)x 0.2943609E-15 GRAD(Rho)y 0.3052178E-14 GRAD(Rho)z -0.2093703E-14 Laplacian 0.8560677E+00 (-1/4)Del**2(Rho)) -0.2140169E+00 Diamond 0.2914908E+01 Metallicity 0.7079021E+01 Ellipticity 0.1813185E-01 Gb(Abramov) 0.3951830E+00 Vb(Abramov) -0.5763491E+00 Hb(Abramov) -0.1811661E+00 Ex_ueg -0.1056200E+00 Ec_ueg -0.1392580E-01 Delta_ex -0.1025835E+00 Delta_ec 0.1908702E-01 Delta_et -0.2640680E+00 Pxc 0.7584483E+01 Qxc -0.5374517E+01 3,-1 64 3 -1 -1.684235 0.038033 -1.624614 Rho 0.6651235E-02 |GRAD(Rho)| 0.4075291E-17 GRAD(Rho)x 0.1896477E-17 GRAD(Rho)y 0.2360998E-17 GRAD(Rho)z 0.2727097E-17 Laplacian 0.2524454E-01 (-1/4)Del**2(Rho)) -0.6311135E-02 Diamond 0.9248013E-03 Metallicity 0.6421201E+00 Ellipticity 0.9494861E+00 Gb(Abramov) 0.4882841E-02 Vb(Abramov) -0.3454547E-02 Hb(Abramov) 0.1428294E-02 Ex_ueg -0.9238217E-03 Ec_ueg -0.2186499E-03 Delta_ex -0.1366157E-02 Delta_ec 0.8635046E-03 Delta_et -0.5081328E-02 Pxc 0.4225118E+01 Qxc -0.1582107E+01 3,-1 65 3 -1 0.079051 -0.263604 0.514237 Rho 0.1936749E+00 |GRAD(Rho)| 0.1344656E-14 GRAD(Rho)x 0.1164275E-14 GRAD(Rho)y 0.2729887E-15 GRAD(Rho)z -0.6148514E-15 Laplacian 0.6279028E+00 (-1/4)Del**2(Rho)) -0.1569757E+00 Diamond 0.1916118E+01 Metallicity 0.7115026E+01 Ellipticity 0.1057190E-01 Gb(Abramov) 0.2907981E+00 Vb(Abramov) -0.4246206E+00 Hb(Abramov) -0.1338224E+00 Ex_ueg -0.8275920E-01 Ec_ueg -0.1129586E-01 Delta_ex -0.7319994E-01 Delta_ec 0.1727211E-01 Delta_et -0.2445895E+00 Pxc 0.7326507E+01 Qxc -0.4238043E+01 3,-1 66 3 -1 -0.089780 0.018328 4.528996 Rho 0.2324986E+00 |GRAD(Rho)| 0.8130464E-14 GRAD(Rho)x 0.5138051E-15 GRAD(Rho)y 0.5916410E-14 GRAD(Rho)z -0.5553067E-14 Laplacian 0.8543101E+00 (-1/4)Del**2(Rho)) -0.2135775E+00 Diamond 0.2909312E+01 Metallicity 0.7090850E+01 Ellipticity 0.1774061E-01 Gb(Abramov) 0.3947927E+00 Vb(Abramov) -0.5760079E+00 Hb(Abramov) -0.1812152E+00 Ex_ueg -0.1055874E+00 Ec_ueg -0.1392211E-01 Delta_ex -0.1023734E+00 Delta_ec 0.1906101E-01 Delta_et -0.2637559E+00 Pxc 0.7584157E+01 Qxc -0.5370828E+01 3,-1 67 3 +1 0.283344 -1.348659 2.337417 Rho 0.2535421E-01 |GRAD(Rho)| 0.6573859E-16 GRAD(Rho)x -0.7716282E-17 GRAD(Rho)y -0.2184010E-16 GRAD(Rho)z 0.6152261E-16 Laplacian 0.1022946E+00 (-1/4)Del**2(Rho)) -0.2557366E-01 Diamond 0.1503930E-01 Metallicity 0.1474043E+01 Ellipticity -0.7318633E+01 Gb(Abramov) 0.2333189E-01 Vb(Abramov) -0.2109012E-01 Hb(Abramov) 0.2241773E-02 Ex_ueg -0.5501128E-02 Ec_ueg -0.1106564E-02 Delta_ex -0.6535212E-02 Delta_ec 0.2002025E-02 Delta_et -0.1767403E-01 Pxc 0.4971358E+01 Qxc -0.3264301E+01 3,+1 68 3 -1 0.436196 -1.833929 1.531223 Rho 0.3904129E-01 |GRAD(Rho)| 0.1180493E-15 GRAD(Rho)x 0.3145831E-17 GRAD(Rho)y -0.1139590E-15 GRAD(Rho)z 0.3064449E-16 Laplacian 0.1503897E+00 (-1/4)Del**2(Rho)) -0.3759741E-01 Diamond 0.5403806E-01 Metallicity 0.2058743E+01 Ellipticity 0.1064659E-01 Gb(Abramov) 0.3796551E-01 Vb(Abramov) -0.3833361E-01 Hb(Abramov) -0.3680986E-03 Ex_ueg -0.9781767E-02 Ec_ueg -0.1818735E-02 Delta_ex -0.1161255E-01 Delta_ec 0.4443513E-02 Delta_et -0.4386806E-01 Pxc 0.5378334E+01 Qxc -0.2613370E+01 3,-1 69 3 -1 0.045832 -1.134889 3.510105 Rho 0.1337508E+00 |GRAD(Rho)| 0.8140958E-15 GRAD(Rho)x -0.1624440E-15 GRAD(Rho)y 0.7907629E-15 GRAD(Rho)z 0.1051574E-15 Laplacian 0.5207477E+00 (-1/4)Del**2(Rho)) -0.1301869E+00 Diamond 0.9306494E+00 Metallicity 0.4628921E+01 Ellipticity 0.2802847E-01 Gb(Abramov) 0.1872288E+00 Vb(Abramov) -0.2442707E+00 Hb(Abramov) -0.5704187E-01 Ex_ueg -0.5051809E-01 Ec_ueg -0.7411593E-02 Delta_ex -0.5451024E-01 Delta_ec 0.1381888E-01 Delta_et -0.1812965E+00 Pxc 0.6816091E+01 Qxc -0.3944620E+01 3,-1 70 3 -1 0.020060 -1.150418 -3.480010 Rho 0.1254608E+00 |GRAD(Rho)| 0.3281602E-15 GRAD(Rho)x -0.2335439E-16 GRAD(Rho)y 0.3250709E-15 GRAD(Rho)z 0.3837398E-16 Laplacian 0.4875680E+00 (-1/4)Del**2(Rho)) -0.1218920E+00 Diamond 0.8086674E+00 Metallicity 0.4443836E+01 Ellipticity 0.2070673E-01 Gb(Abramov) 0.1715393E+00 Vb(Abramov) -0.2211867E+00 Hb(Abramov) -0.4964734E-01 Ex_ueg -0.4638694E-01 Ec_ueg -0.6891695E-02 Delta_ex -0.5028182E-01 Delta_ec 0.1317657E-01 Delta_et -0.1711102E+00 Pxc 0.6730847E+01 Qxc -0.3816002E+01 3,-1 71 3 +1 0.296430 -1.356436 -2.321456 Rho 0.2524702E-01 |GRAD(Rho)| 0.4384935E-15 GRAD(Rho)x 0.4952834E-16 GRAD(Rho)y -0.2122067E-15 GRAD(Rho)z -0.3805152E-15 Laplacian 0.1026527E+00 (-1/4)Del**2(Rho)) -0.2566318E-01 Diamond 0.1517591E-01 Metallicity 0.1458567E+01 Ellipticity -0.7541760E+01 Gb(Abramov) 0.2334737E-01 Vb(Abramov) -0.2103155E-01 Hb(Abramov) 0.2315816E-02 Ex_ueg -0.5470143E-02 Ec_ueg -0.1101160E-02 Delta_ex -0.6569217E-02 Delta_ec 0.2041850E-02 Delta_et -0.1799969E-01 Pxc 0.4967621E+01 Qxc -0.3217287E+01 3,+1 72 3 -1 0.531479 -1.828835 -1.539090 Rho 0.3734501E-01 |GRAD(Rho)| 0.9061630E-14 GRAD(Rho)x -0.1887338E-14 GRAD(Rho)y 0.7595640E-14 GRAD(Rho)z 0.4566985E-14 Laplacian 0.1435566E+00 (-1/4)Del**2(Rho)) -0.3588914E-01 Diamond 0.4801260E-01 Metallicity 0.2002831E+01 Ellipticity 0.2587417E-01 Gb(Abramov) 0.3590608E-01 Vb(Abramov) -0.3592301E-01 Hb(Abramov) -0.1693595E-04 Ex_ueg -0.9219241E-02 Ec_ueg -0.1728334E-02 Delta_ex -0.1092904E-01 Delta_ec 0.4180753E-02 Delta_et -0.4077657E-01 Pxc 0.5334177E+01 Qxc -0.2614132E+01 3,-1 73 3 +1 0.569590 -1.765527 -0.002877 Rho 0.7853453E-02 |GRAD(Rho)| 0.1850890E-11 GRAD(Rho)x 0.1443501E-12 GRAD(Rho)y -0.1110111E-11 GRAD(Rho)z 0.1473978E-11 Laplacian 0.3273971E-01 (-1/4)Del**2(Rho)) -0.8184928E-02 Diamond 0.8071164E-03 Metallicity 0.6530896E+00 Ellipticity -0.1383543E+01 Gb(Abramov) 0.6347534E-02 Vb(Abramov) -0.4510140E-02 Hb(Abramov) 0.1837394E-02 Ex_ueg -0.1152920E-02 Ec_ueg -0.2717024E-03 Delta_ex -0.1478554E-02 Delta_ec 0.4905662E-03 Delta_et -0.3250486E-02 Pxc 0.4243321E+01 Qxc -0.3013975E+01 3,+1 74 3 +3 1.581411 -1.623389 0.010471 Rho 0.4005392E-02 |GRAD(Rho)| 0.1308324E-13 GRAD(Rho)x -0.9602086E-14 GRAD(Rho)y 0.8886418E-14 GRAD(Rho)z -0.5236387E-16 Laplacian 0.1659804E-01 (-1/4)Del**2(Rho)) -0.4149511E-02 Diamond 0.1197437E-03 Metallicity 0.4194028E+00 Ellipticity -0.2708739E+00 Gb(Abramov) 0.3056393E-02 Vb(Abramov) -0.1963276E-02 Hb(Abramov) 0.1093117E-02 Ex_ueg -0.4697987E-03 Ec_ueg -0.1043651E-03 Delta_ex -0.5820750E-03 Delta_ec 0.1492078E-03 Delta_et -0.9117739E-03 Pxc 0.4501491E+01 Qxc -0.3901104E+01 3,+3 75 3 +1 2.074437 -2.079313 0.016380 Rho 0.4906596E-02 |GRAD(Rho)| 0.1678926E-16 GRAD(Rho)x 0.7378954E-17 GRAD(Rho)y 0.4321840E-17 GRAD(Rho)z 0.1444826E-16 Laplacian 0.2018530E-01 (-1/4)Del**2(Rho)) -0.5046326E-02 Diamond 0.4973838E-03 Metallicity 0.4836654E+00 Ellipticity -0.5164954E+01 Gb(Abramov) 0.3771006E-02 Vb(Abramov) -0.2495686E-02 Hb(Abramov) 0.1275320E-02 Ex_ueg -0.6157798E-03 Ec_ueg -0.1428955E-03 Delta_ex -0.1036560E-02 Delta_ec 0.7009761E-03 Delta_et -0.3758909E-02 Pxc 0.4309303E+01 Qxc -0.1478737E+01 3,+1 76 3 +1 1.624003 -0.649503 0.010552 Rho 0.7294913E-02 |GRAD(Rho)| 0.2346119E-14 GRAD(Rho)x -0.2133027E-14 GRAD(Rho)y 0.8028727E-16 GRAD(Rho)z -0.9736660E-15 Laplacian 0.2976551E-01 (-1/4)Del**2(Rho)) -0.7441377E-02 Diamond 0.6973076E-03 Metallicity 0.6352335E+00 Ellipticity -0.1429679E+01 Gb(Abramov) 0.5748753E-02 Vb(Abramov) -0.4056130E-02 Hb(Abramov) 0.1692624E-02 Ex_ueg -0.1044909E-02 Ec_ueg -0.2469709E-03 Delta_ex -0.1338750E-02 Delta_ec 0.4795966E-03 Delta_et -0.3089893E-02 Pxc 0.4230900E+01 Qxc -0.2791408E+01 3,+1 77 3 +1 1.172623 -0.379706 -2.338552 Rho 0.2286487E-01 |GRAD(Rho)| 0.1606050E-14 GRAD(Rho)x -0.1339031E-15 GRAD(Rho)y 0.1325747E-15 GRAD(Rho)z -0.1594958E-14 Laplacian 0.9110492E-01 (-1/4)Del**2(Rho)) -0.2277623E-01 Diamond 0.1187049E-01 Metallicity 0.1393218E+01 Ellipticity -0.7172404E+01 Gb(Abramov) 0.2047286E-01 Vb(Abramov) -0.1816950E-01 Hb(Abramov) 0.2303368E-02 Ex_ueg -0.4793028E-02 Ec_ueg -0.9818261E-03 Delta_ex -0.5696116E-02 Delta_ec 0.1837013E-02 Delta_et -0.1577805E-01 Pxc 0.4881748E+01 Qxc -0.3100749E+01 3,+1 78 3 +3 1.244200 -1.304255 2.538856 Rho 0.1153571E-01 |GRAD(Rho)| 0.4709224E-16 GRAD(Rho)x -0.1298659E-16 GRAD(Rho)y 0.3770469E-16 GRAD(Rho)z -0.2504763E-16 Laplacian 0.5168774E-01 (-1/4)Del**2(Rho)) -0.1292193E-01 Diamond 0.1013243E-02 Metallicity 0.7851744E+00 Ellipticity -0.4570653E+00 Gb(Abramov) 0.1030562E-01 Vb(Abramov) -0.7689302E-02 Hb(Abramov) 0.2616316E-02 Ex_ueg -0.1925059E-02 Ec_ueg -0.4381783E-03 Delta_ex -0.2225413E-02 Delta_ec 0.1549214E-03 Delta_et -0.1555139E-02 Pxc 0.4393324E+01 Qxc -0.1436478E+02 3,+3 79 3 +1 1.420604 -1.452330 2.840901 Rho 0.1216562E-01 |GRAD(Rho)| 0.1741162E-16 GRAD(Rho)x 0.1138209E-16 GRAD(Rho)y 0.1066320E-16 GRAD(Rho)z -0.7740058E-17 Laplacian 0.5621440E-01 (-1/4)Del**2(Rho)) -0.1405360E-01 Diamond 0.2010880E-02 Metallicity 0.7888405E+00 Ellipticity -0.1223971E+01 Gb(Abramov) 0.1121674E-01 Vb(Abramov) -0.8379883E-02 Hb(Abramov) 0.2836858E-02 Ex_ueg -0.2066477E-02 Ec_ueg -0.4672199E-03 Delta_ex -0.2692506E-02 Delta_ec 0.5855915E-03 Delta_et -0.4515596E-02 Pxc 0.4422922E+01 Qxc -0.4597926E+01 3,+1 80 3 +1 1.417378 -1.458174 -2.837571 Rho 0.1230401E-01 |GRAD(Rho)| 0.7306147E-17 GRAD(Rho)x -0.2312744E-17 GRAD(Rho)y 0.8978814E-18 GRAD(Rho)z -0.6872031E-17 Laplacian 0.5765390E-01 (-1/4)Del**2(Rho)) -0.1441348E-01 Diamond 0.2086270E-02 Metallicity 0.7837828E+00 Ellipticity -0.1212543E+01 Gb(Abramov) 0.1149182E-01 Vb(Abramov) -0.8570170E-02 Hb(Abramov) 0.2921653E-02 Ex_ueg -0.2097881E-02 Ec_ueg -0.4736214E-03 Delta_ex -0.2767595E-02 Delta_ec 0.5963532E-03 Delta_et -0.4614293E-02 Pxc 0.4429446E+01 Qxc -0.4640866E+01 3,+1 81 3 -1 -0.370259 -3.081022 -1.564373 Rho 0.1493013E+00 |GRAD(Rho)| 0.2736782E-15 GRAD(Rho)x -0.2429697E-15 GRAD(Rho)y 0.9669516E-16 GRAD(Rho)z 0.8071885E-16 Laplacian 0.5620886E+00 (-1/4)Del**2(Rho)) -0.1405222E+00 Diamond 0.1152906E+01 Metallicity 0.5151270E+01 Ellipticity 0.1104229E+00 Gb(Abramov) 0.2143260E+00 Vb(Abramov) -0.2881299E+00 Hb(Abramov) -0.7380387E-01 Ex_ueg -0.5849739E-01 Ec_ueg -0.8398802E-02 Delta_ex -0.6049631E-01 Delta_ec 0.1463957E-01 Delta_et -0.1955830E+00 Pxc 0.6964968E+01 Qxc -0.4132382E+01 3,-1 82 3 -1 1.572045 -2.697346 -1.967228 Rho 0.1374685E+00 |GRAD(Rho)| 0.1018325E-14 GRAD(Rho)x -0.2374403E-16 GRAD(Rho)y 0.9482364E-15 GRAD(Rho)z 0.3704990E-15 Laplacian 0.5576690E+00 (-1/4)Del**2(Rho)) -0.1394172E+00 Diamond 0.1016848E+01 Metallicity 0.4524548E+01 Ellipticity 0.3092427E-01 Gb(Abramov) 0.1980782E+00 Vb(Abramov) -0.2567391E+00 Hb(Abramov) -0.5866093E-01 Ex_ueg -0.5239895E-01 Ec_ueg -0.7646208E-02 Delta_ex -0.5861575E-01 Delta_ec 0.1443882E-01 Delta_et -0.1897355E+00 Pxc 0.6852933E+01 Qxc -0.4059594E+01 3,-1 83 3 +1 -0.450421 -3.143904 0.018105 Rho 0.1503229E-01 |GRAD(Rho)| 0.1130175E-16 GRAD(Rho)x 0.9713774E-17 GRAD(Rho)y -0.3510952E-17 GRAD(Rho)z 0.4587530E-17 Laplacian 0.7109419E-01 (-1/4)Del**2(Rho)) -0.1777355E-01 Diamond 0.3917331E-02 Metallicity 0.8874717E+00 Ellipticity -0.1414831E+01 Gb(Abramov) 0.1447795E-01 Vb(Abramov) -0.1118236E-01 Hb(Abramov) 0.3295596E-02 Ex_ueg -0.2740010E-02 Ec_ueg -0.6012994E-03 Delta_ex -0.3717998E-02 Delta_ec 0.9362592E-03 Delta_et -0.7404405E-02 Pxc 0.4556814E+01 Qxc -0.3971121E+01 3,+1 84 3 -1 1.008493 -0.103612 3.464044 Rho 0.8977104E-01 |GRAD(Rho)| 0.1116879E-12 GRAD(Rho)x -0.5687098E-13 GRAD(Rho)y -0.9610793E-13 GRAD(Rho)z 0.1774942E-14 Laplacian 0.3641944E+00 (-1/4)Del**2(Rho)) -0.9104860E-01 Diamond 0.3944445E+00 Metallicity 0.3405443E+01 Ellipticity 0.2417624E-02 Gb(Abramov) 0.1123759E+00 Vb(Abramov) -0.1337031E+00 Hb(Abramov) -0.2132727E-01 Ex_ueg -0.2968703E-01 Ec_ueg -0.4709702E-02 Delta_ex -0.3455470E-01 Delta_ec 0.1028426E-01 Delta_et -0.1248431E+00 Pxc 0.6303376E+01 Qxc -0.3359959E+01 3,-1 85 3 +1 1.378429 -1.552534 1.646626 Rho 0.2148210E-01 |GRAD(Rho)| 0.4463588E-16 GRAD(Rho)x -0.2529226E-16 GRAD(Rho)y 0.3358292E-16 GRAD(Rho)z -0.1499503E-16 Laplacian 0.8252164E-01 (-1/4)Del**2(Rho)) -0.2063041E-01 Diamond 0.9412148E-02 Metallicity 0.1386244E+01 Ellipticity -0.4710961E+01 Gb(Abramov) 0.1852007E-01 Vb(Abramov) -0.1640973E-01 Hb(Abramov) 0.2110338E-02 Ex_ueg -0.4410495E-02 Ec_ueg -0.9132787E-03 Delta_ex -0.5016298E-02 Delta_ec 0.1554999E-02 Delta_et -0.1316970E-01 Pxc 0.4829298E+01 Qxc -0.3225917E+01 3,+1 86 3 -1 1.464064 -2.704846 1.947809 Rho 0.9672415E-01 |GRAD(Rho)| 0.1593592E-12 GRAD(Rho)x 0.1125223E-12 GRAD(Rho)y -0.3839230E-13 GRAD(Rho)z -0.1061137E-12 Laplacian 0.3899322E+00 (-1/4)Del**2(Rho)) -0.9748306E-01 Diamond 0.4630789E+00 Metallicity 0.3601767E+01 Ellipticity 0.3309793E-02 Gb(Abramov) 0.1235072E+00 Vb(Abramov) -0.1495314E+00 Hb(Abramov) -0.2602419E-01 Ex_ueg -0.3279178E-01 Ec_ueg -0.5127044E-02 Delta_ex -0.3765726E-01 Delta_ec 0.1086414E-01 Delta_et -0.1339536E+00 Pxc 0.6395845E+01 Qxc -0.3466196E+01 3,-1 87 3 -1 2.684575 -1.531646 -1.983230 Rho 0.1449551E+00 |GRAD(Rho)| 0.1958821E-13 GRAD(Rho)x -0.5132837E-14 GRAD(Rho)y 0.1710313E-13 GRAD(Rho)z -0.8052015E-14 Laplacian 0.5754254E+00 (-1/4)Del**2(Rho)) -0.1438563E+00 Diamond 0.1125834E+01 Metallicity 0.4790120E+01 Ellipticity 0.2623242E-01 Gb(Abramov) 0.2107524E+00 Vb(Abramov) -0.2776485E+00 Hb(Abramov) -0.6689608E-01 Ex_ueg -0.5623796E-01 Ec_ueg -0.8121351E-02 Delta_ex -0.6134859E-01 Delta_ec 0.1484822E-01 Delta_et -0.1969739E+00 Pxc 0.6924705E+01 Qxc -0.4131713E+01 3,-1 88 3 -1 2.659559 -1.583435 1.972198 Rho 0.1759073E+00 |GRAD(Rho)| 0.3157430E-15 GRAD(Rho)x 0.3520947E-16 GRAD(Rho)y 0.3132802E-15 GRAD(Rho)z -0.1759118E-16 Laplacian 0.6888683E+00 (-1/4)Del**2(Rho)) -0.1722171E+00 Diamond 0.1689880E+01 Metallicity 0.5524378E+01 Ellipticity 0.4522752E-01 Gb(Abramov) 0.2733767E+00 Vb(Abramov) -0.3745364E+00 Hb(Abramov) -0.1011597E+00 Ex_ueg -0.7279421E-01 Ec_ueg -0.1012210E-01 Delta_ex -0.7696035E-01 Delta_ec 0.1677637E-01 Delta_et -0.2277895E+00 Pxc 0.7191613E+01 Qxc -0.4587427E+01 3,-1 89 3 +1 1.461958 0.651991 0.876767 Rho 0.7205915E-02 |GRAD(Rho)| 0.1750816E-16 GRAD(Rho)x -0.1511418E-16 GRAD(Rho)y -0.8598895E-17 GRAD(Rho)z -0.2038692E-17 Laplacian 0.2948293E-01 (-1/4)Del**2(Rho)) -0.7370733E-02 Diamond 0.6603117E-03 Metallicity 0.6283347E+00 Ellipticity -0.1393024E+01 Gb(Abramov) 0.5685703E-02 Vb(Abramov) -0.4000673E-02 Hb(Abramov) 0.1685030E-02 Ex_ueg -0.1027947E-02 Ec_ueg -0.2430435E-03 Delta_ex -0.1311277E-02 Delta_ec 0.4557309E-03 Delta_et -0.2940849E-02 Pxc 0.4229476E+01 Qxc -0.2877306E+01 3,+1 90 3 +1 1.521736 -1.397174 -1.653557 Rho 0.2111493E-01 |GRAD(Rho)| 0.4930901E-16 GRAD(Rho)x -0.3657887E-16 GRAD(Rho)y 0.1989064E-16 GRAD(Rho)z 0.2641452E-16 Laplacian 0.7937438E-01 (-1/4)Del**2(Rho)) -0.1984360E-01 Diamond 0.8413465E-02 Metallicity 0.1400389E+01 Ellipticity -0.3739569E+01 Gb(Abramov) 0.1786052E-01 Vb(Abramov) -0.1587745E-01 Hb(Abramov) 0.1983072E-02 Ex_ueg -0.4310270E-02 Ec_ueg -0.8951698E-03 Delta_ex -0.4745195E-02 Delta_ec 0.1391709E-02 Delta_et -0.1176630E-01 Pxc 0.4815031E+01 Qxc -0.3409617E+01 3,+1 91 3 +1 -1.221561 -1.742522 0.008254 Rho 0.3998899E-02 |GRAD(Rho)| 0.1115828E-11 GRAD(Rho)x -0.5845955E-13 GRAD(Rho)y -0.7964441E-12 GRAD(Rho)z 0.7793146E-12 Laplacian 0.1545502E-01 (-1/4)Del**2(Rho)) -0.3863754E-02 Diamond 0.1931045E-03 Metallicity 0.4492049E+00 Ellipticity -0.1283643E+01 Gb(Abramov) 0.2865105E-02 Vb(Abramov) -0.1866457E-02 Hb(Abramov) 0.9986484E-03 Ex_ueg -0.4687836E-03 Ec_ueg -0.1040891E-03 Delta_ex -0.6441469E-03 Delta_ec 0.3217219E-03 Delta_et -0.1701510E-02 Pxc 0.4503678E+01 Qxc -0.2002186E+01 3,+1 92 3 -1 0.560514 -3.934517 2.217070 Rho 0.2346919E+00 |GRAD(Rho)| 0.5178694E-15 GRAD(Rho)x 0.3111660E-16 GRAD(Rho)y 0.5123939E-15 GRAD(Rho)z -0.6835895E-16 Laplacian 0.8582359E+00 (-1/4)Del**2(Rho)) -0.2145590E+00 Diamond 0.2956630E+01 Metallicity 0.7169736E+01 Ellipticity 0.1209476E-01 Gb(Abramov) 0.3994279E+00 Vb(Abramov) -0.5842968E+00 Hb(Abramov) -0.1848689E+00 Ex_ueg -0.1069176E+00 Ec_ueg -0.1407295E-01 Delta_ex -0.1030996E+00 Delta_ec 0.1910331E-01 Delta_et -0.2644753E+00 Pxc 0.7597382E+01 Qxc -0.5396951E+01 3,-1 93 3 +3 1.249799 -1.300179 -2.533420 Rho 0.1165389E-01 |GRAD(Rho)| 0.2064108E-16 GRAD(Rho)x -0.3471670E-17 GRAD(Rho)y -0.1414098E-16 GRAD(Rho)z 0.1462991E-16 Laplacian 0.5251710E-01 (-1/4)Del**2(Rho)) -0.1312928E-01 Diamond 0.1035262E-02 Metallicity 0.7860145E+00 Ellipticity -0.4731338E+00 Gb(Abramov) 0.1047282E-01 Vb(Abramov) -0.7816359E-02 Hb(Abramov) 0.2656458E-02 Ex_ueg -0.1951400E-02 Ec_ueg -0.4436150E-03 Delta_ex -0.2265247E-02 Delta_ec 0.1525280E-03 Delta_et -0.1548401E-02 Pxc 0.4398859E+01 Qxc -0.1485135E+02 3,+3 94 3 +1 0.108620 0.950443 -1.556201 Rho 0.8897136E-02 |GRAD(Rho)| 0.1372241E-16 GRAD(Rho)x 0.2279746E-17 GRAD(Rho)y -0.1019998E-16 GRAD(Rho)z 0.8892007E-17 Laplacian 0.3705712E-01 (-1/4)Del**2(Rho)) -0.9264281E-02 Diamond 0.1057948E-02 Metallicity 0.7103818E+00 Ellipticity -0.1405501E+01 Gb(Abramov) 0.7273050E-02 Vb(Abramov) -0.5281819E-02 Hb(Abramov) 0.1991231E-02 Ex_ueg -0.1361608E-02 Ec_ueg -0.3182943E-03 Delta_ex -0.1715847E-02 Delta_ec 0.5362560E-03 Delta_et -0.3685505E-02 Pxc 0.4277826E+01 Qxc -0.3199678E+01 3,+1 95 3 +1 0.110597 0.939757 1.569617 Rho 0.8762298E-02 |GRAD(Rho)| 0.1144128E-16 GRAD(Rho)x -0.1673091E-17 GRAD(Rho)y 0.1063809E-16 GRAD(Rho)z -0.3864553E-17 Laplacian 0.3649893E-01 (-1/4)Del**2(Rho)) -0.9124731E-02 Diamond 0.1029148E-02 Metallicity 0.7031206E+00 Ellipticity -0.1408653E+01 Gb(Abramov) 0.7152452E-02 Vb(Abramov) -0.5180173E-02 Hb(Abramov) 0.1972279E-02 Ex_ueg -0.1334164E-02 Ec_ueg -0.3122476E-03 Delta_ex -0.1687275E-02 Delta_ec 0.5349256E-03 Delta_et -0.3656575E-02 Pxc 0.4272774E+01 Qxc -0.3154224E+01 3,+1 96 3 +1 1.484176 1.402737 2.125710 Rho 0.4791046E-02 |GRAD(Rho)| 0.2521993E-15 GRAD(Rho)x 0.7129962E-16 GRAD(Rho)y -0.2077599E-15 GRAD(Rho)z 0.1239219E-15 Laplacian 0.1955241E-01 (-1/4)Del**2(Rho)) -0.4888101E-02 Diamond 0.4514143E-03 Metallicity 0.4798773E+00 Ellipticity -0.3698767E+01 Gb(Abramov) 0.3649682E-02 Vb(Abramov) -0.2411263E-02 Hb(Abramov) 0.1238419E-02 Ex_ueg -0.5965206E-03 Ec_ueg -0.1379318E-03 Delta_ex -0.9846993E-03 Delta_ec 0.6523284E-03 Delta_et -0.3482664E-02 Pxc 0.4324752E+01 Qxc -0.1509515E+01 3,+1 97 3 +1 1.487504 1.385732 -2.164414 Rho 0.4954731E-02 |GRAD(Rho)| 0.2198986E-17 GRAD(Rho)x 0.1187977E-17 GRAD(Rho)y -0.4280097E-18 GRAD(Rho)z 0.1800294E-17 Laplacian 0.2023231E-01 (-1/4)Del**2(Rho)) -0.5058078E-02 Diamond 0.4932710E-03 Metallicity 0.4904572E+00 Ellipticity -0.4358456E+01 Gb(Abramov) 0.3785514E-02 Vb(Abramov) -0.2512950E-02 Hb(Abramov) 0.1272564E-02 Ex_ueg -0.6238476E-03 Ec_ueg -0.1449652E-03 Delta_ex -0.1029719E-02 Delta_ec 0.6827195E-03 Delta_et -0.3679163E-02 Pxc 0.4303430E+01 Qxc -0.1508261E+01 3,+1 98 3 +1 0.858315 2.481843 -0.641312 Rho 0.2619520E-01 |GRAD(Rho)| 0.2752609E-16 GRAD(Rho)x 0.7723627E-17 GRAD(Rho)y 0.1432945E-16 GRAD(Rho)z -0.2219680E-16 Laplacian 0.1050564E+00 (-1/4)Del**2(Rho)) -0.2626409E-01 Diamond 0.1563094E-01 Metallicity 0.1515516E+01 Ellipticity -0.5694927E+01 Gb(Abramov) 0.2414333E-01 Vb(Abramov) -0.2202257E-01 Hb(Abramov) 0.2120757E-02 Ex_ueg -0.5745758E-02 Ec_ueg -0.1149077E-02 Delta_ex -0.6715895E-02 Delta_ec 0.1960953E-02 Delta_et -0.1747249E-01 Pxc 0.5000325E+01 Qxc -0.3424812E+01 3,+1 99 3 +1 0.839941 2.489500 0.656880 Rho 0.2616440E-01 |GRAD(Rho)| 0.9162097E-16 GRAD(Rho)x 0.7303711E-16 GRAD(Rho)y 0.5139597E-16 GRAD(Rho)z 0.2045571E-16 Laplacian 0.1048047E+00 (-1/4)Del**2(Rho)) -0.2620118E-01 Diamond 0.1557548E-01 Metallicity 0.1516178E+01 Ellipticity -0.5755939E+01 Gb(Abramov) 0.2408840E-01 Vb(Abramov) -0.2197561E-01 Hb(Abramov) 0.2112782E-02 Ex_ueg -0.5736752E-02 Ec_ueg -0.1147517E-02 Delta_ex -0.6698462E-02 Delta_ec 0.1957564E-02 Delta_et -0.1743692E-01 Pxc 0.4999275E+01 Qxc -0.3421835E+01 3,+1 100 3 +3 1.179150 1.085641 1.686131 Rho 0.4071537E-02 |GRAD(Rho)| 0.5092067E-17 GRAD(Rho)x -0.3942032E-17 GRAD(Rho)y -0.2904570E-18 GRAD(Rho)z 0.3210165E-17 Laplacian 0.1697008E-01 (-1/4)Del**2(Rho)) -0.4242521E-02 Diamond 0.1300278E-03 Metallicity 0.4215604E+00 Ellipticity -0.2394762E+00 Gb(Abramov) 0.3126427E-02 Vb(Abramov) -0.2010333E-02 Hb(Abramov) 0.1116094E-02 Ex_ueg -0.4801713E-03 Ec_ueg -0.1071787E-03 Delta_ex -0.6035234E-03 Delta_ec 0.1631301E-03 Delta_et -0.9855496E-03 Pxc 0.4480101E+01 Qxc -0.3699645E+01 3,+3 101 3 -1 1.352754 2.018268 0.007438 Rho 0.4336509E-01 |GRAD(Rho)| 0.1623002E-12 GRAD(Rho)x 0.1085279E-12 GRAD(Rho)y -0.6304970E-13 GRAD(Rho)z 0.1028970E-12 Laplacian 0.1696902E+00 (-1/4)Del**2(Rho)) -0.4242256E-01 Diamond 0.7036555E-01 Metallicity 0.2173652E+01 Ellipticity 0.1573607E-01 Gb(Abramov) 0.4365036E-01 Vb(Abramov) -0.4487815E-01 Hb(Abramov) -0.1227795E-02 Ex_ueg -0.1125223E-01 Ec_ueg -0.2051544E-02 Delta_ex -0.1345132E-01 Delta_ec 0.5013125E-02 Delta_et -0.5090450E-01 Pxc 0.5484764E+01 Qxc -0.2683220E+01 3,-1 102 3 +1 1.470717 0.685566 -0.883748 Rho 0.7084660E-02 |GRAD(Rho)| 0.1669639E-16 GRAD(Rho)x 0.1022680E-16 GRAD(Rho)y -0.1096327E-16 GRAD(Rho)z -0.7347707E-17 Laplacian 0.2870596E-01 (-1/4)Del**2(Rho)) -0.7176491E-02 Diamond 0.6147641E-03 Metallicity 0.6273444E+00 Ellipticity -0.1375086E+01 Gb(Abramov) 0.5534683E-02 Vb(Abramov) -0.3892874E-02 Hb(Abramov) 0.1641808E-02 Ex_ueg -0.1004948E-02 Ec_ueg -0.2376986E-03 Delta_ex -0.1263558E-02 Delta_ec 0.4296558E-03 Delta_et -0.2771047E-02 Pxc 0.4227826E+01 Qxc -0.2940861E+01 3,+1 103 3 -1 1.688303 -0.645415 1.565196 Rho 0.3013828E-01 |GRAD(Rho)| 0.3258808E-16 GRAD(Rho)x -0.3227492E-16 GRAD(Rho)y -0.4374518E-17 GRAD(Rho)z -0.1084440E-17 Laplacian 0.1124126E+00 (-1/4)Del**2(Rho)) -0.2810316E-01 Diamond 0.2712059E-01 Metallicity 0.1789213E+01 Ellipticity 0.5825024E-01 Gb(Abramov) 0.2711586E-01 Vb(Abramov) -0.2612857E-01 Hb(Abramov) 0.9872971E-03 Ex_ueg -0.6926964E-02 Ec_ueg -0.1350742E-02 Delta_ex -0.8037211E-02 Delta_ec 0.3131751E-02 Delta_et -0.2881186E-01 Pxc 0.5128266E+01 Qxc -0.2566364E+01 3,-1 104 3 -1 -1.679314 0.082822 1.644077 Rho 0.6225685E-02 |GRAD(Rho)| 0.9311951E-18 GRAD(Rho)x 0.7439774E-18 GRAD(Rho)y 0.3754705E-18 GRAD(Rho)z 0.4155044E-18 Laplacian 0.2341968E-01 (-1/4)Del**2(Rho)) -0.5854920E-02 Diamond 0.7554939E-03 Metallicity 0.6199320E+00 Ellipticity 0.2256007E+01 Gb(Abramov) 0.4508222E-02 Vb(Abramov) -0.3161524E-02 Hb(Abramov) 0.1346698E-02 Ex_ueg -0.8458653E-03 Ec_ueg -0.2000344E-03 Delta_ex -0.1230807E-02 Delta_ec 0.7646812E-03 Delta_et -0.4424169E-02 Pxc 0.4228598E+01 Qxc -0.1609569E+01 3,-1 105 3 +1 -1.760767 0.242064 -1.656580 Rho 0.6594386E-02 |GRAD(Rho)| 0.1606282E-17 GRAD(Rho)x -0.2588860E-18 GRAD(Rho)y 0.7996388E-18 GRAD(Rho)z 0.1368831E-17 Laplacian 0.2484368E-01 (-1/4)Del**2(Rho)) -0.6210921E-02 Diamond 0.7144652E-03 Metallicity 0.6432125E+00 Ellipticity -0.2703703E+01 Gb(Abramov) 0.4806438E-02 Vb(Abramov) -0.3401954E-02 Hb(Abramov) 0.1404483E-02 Ex_ueg -0.9133086E-03 Ec_ueg -0.2161581E-03 Delta_ex -0.1223313E-02 Delta_ec 0.6375130E-03 Delta_et -0.3817568E-02 Pxc 0.4225189E+01 Qxc -0.1918883E+01 3,+1 106 3 +1 -1.727233 0.198361 1.660819 Rho 0.6216108E-02 |GRAD(Rho)| 0.7699075E-16 GRAD(Rho)x -0.1130077E-16 GRAD(Rho)y 0.6829163E-16 GRAD(Rho)z -0.3370639E-16 Laplacian 0.2326886E-01 (-1/4)Del**2(Rho)) -0.5817215E-02 Diamond 0.6594287E-03 Metallicity 0.6223513E+00 Ellipticity -0.3996845E+01 Gb(Abramov) 0.4481535E-02 Vb(Abramov) -0.3145855E-02 Hb(Abramov) 0.1335680E-02 Ex_ueg -0.8441308E-03 Ec_ueg -0.1996165E-03 Delta_ex -0.1160240E-02 Delta_ec 0.6485793E-03 Delta_et -0.3792748E-02 Pxc 0.4228763E+01 Qxc -0.1788895E+01 3,+1 107 3 -1 -1.360584 2.601196 -1.610453 Rho 0.1513481E+00 |GRAD(Rho)| 0.3783507E-15 GRAD(Rho)x -0.2786671E-15 GRAD(Rho)y -0.2558311E-15 GRAD(Rho)z 0.6664455E-17 Laplacian 0.5775866E+00 (-1/4)Del**2(Rho)) -0.1443967E+00 Diamond 0.1200854E+01 Metallicity 0.5128116E+01 Ellipticity 0.9734916E-01 Gb(Abramov) 0.2196783E+00 Vb(Abramov) -0.2949599E+00 Hb(Abramov) -0.7528160E-01 Ex_ueg -0.5956912E-01 Ec_ueg -0.8529871E-02 Delta_ex -0.6233852E-01 Delta_ec 0.1493368E-01 Delta_et -0.1997710E+00 Pxc 0.6983590E+01 Qxc -0.4174357E+01 3,-1 108 3 -1 -1.362241 2.601504 1.612982 Rho 0.1521319E+00 |GRAD(Rho)| 0.2273725E-15 GRAD(Rho)x 0.8239937E-17 GRAD(Rho)y 0.2268558E-15 GRAD(Rho)z -0.1291556E-16 Laplacian 0.5795780E+00 (-1/4)Del**2(Rho)) -0.1448945E+00 Diamond 0.1213548E+01 Metallicity 0.5154679E+01 Ellipticity 0.9830104E-01 Gb(Abramov) 0.2210771E+00 Vb(Abramov) -0.2972597E+00 Hb(Abramov) -0.7618261E-01 Ex_ueg -0.5998077E-01 Ec_ueg -0.8580125E-02 Delta_ex -0.6264302E-01 Delta_ec 0.1498450E-01 Delta_et -0.2006408E+00 Pxc 0.6990664E+01 Qxc -0.4180521E+01 3,-1 109 3 +3 -0.998006 0.680762 -1.710121 Rho 0.4846494E-02 |GRAD(Rho)| 0.5230479E-17 GRAD(Rho)x 0.3870624E-17 GRAD(Rho)y -0.7771527E-18 GRAD(Rho)z -0.3431065E-17 Laplacian 0.1956044E-01 (-1/4)Del**2(Rho)) -0.4890110E-02 Diamond 0.1524493E-03 Metallicity 0.4889682E+00 Ellipticity -0.5413416E+00 Gb(Abramov) 0.3658592E-02 Vb(Abramov) -0.2427073E-02 Hb(Abramov) 0.1231519E-02 Ex_ueg -0.6057433E-03 Ec_ueg -0.1403128E-03 Delta_ex -0.6908526E-03 Delta_ec 0.1234307E-03 Delta_et -0.8638662E-03 Pxc 0.4317092E+01 Qxc -0.5597086E+01 3,+3 110 3 -1 -0.200233 2.363394 -2.362868 Rho 0.1431096E+00 |GRAD(Rho)| 0.1653293E-14 GRAD(Rho)x -0.4181226E-15 GRAD(Rho)y 0.1375947E-14 GRAD(Rho)z 0.8156724E-15 Laplacian 0.5963960E+00 (-1/4)Del**2(Rho)) -0.1490990E+00 Diamond 0.1140632E+01 Metallicity 0.4524042E+01 Ellipticity 0.1373392E-01 Gb(Abramov) 0.2118210E+00 Vb(Abramov) -0.2745430E+00 Hb(Abramov) -0.6272202E-01 Ex_ueg -0.5528538E-01 Ec_ueg -0.8003901E-02 Delta_ex -0.6329664E-01 Delta_ec 0.1527839E-01 Delta_et -0.2019566E+00 Pxc 0.6907303E+01 Qxc -0.4142886E+01 3,-1 111 3 -1 -0.032843 0.860454 -3.225161 Rho 0.1366813E+00 |GRAD(Rho)| 0.1098478E-13 GRAD(Rho)x 0.4013327E-15 GRAD(Rho)y 0.3120903E-14 GRAD(Rho)z 0.1052446E-13 Laplacian 0.5641088E+00 (-1/4)Del**2(Rho)) -0.1410272E+00 Diamond 0.1030840E+01 Metallicity 0.4430288E+01 Ellipticity 0.2794009E-02 Gb(Abramov) 0.1981500E+00 Vb(Abramov) -0.2552728E+00 Hb(Abramov) -0.5712278E-01 Ex_ueg -0.5199925E-01 Ec_ueg -0.7596454E-02 Delta_ex -0.5931509E-01 Delta_ec 0.1481358E-01 Delta_et -0.1948660E+00 Pxc 0.6845200E+01 Qxc -0.4004103E+01 3,-1 112 3 -1 -0.014278 0.870779 3.237740 Rho 0.1306024E+00 |GRAD(Rho)| 0.2390373E-15 GRAD(Rho)x -0.1055403E-16 GRAD(Rho)y -0.2096169E-15 GRAD(Rho)z 0.1144037E-15 Laplacian 0.5406812E+00 (-1/4)Del**2(Rho)) -0.1351703E+00 Diamond 0.9372973E+00 Metallicity 0.4284734E+01 Ellipticity 0.3207482E-02 Gb(Abramov) 0.1866416E+00 Vb(Abramov) -0.2381130E+00 Hb(Abramov) -0.5147135E-01 Ex_ueg -0.4893879E-01 Ec_ueg -0.7213608E-02 Delta_ex -0.5625265E-01 Delta_ec 0.1439282E-01 Delta_et -0.1880254E+00 Pxc 0.6784233E+01 Qxc -0.3908383E+01 3,-1 113 3 -1 0.173828 -0.374851 2.383793 Rho 0.4149357E-01 |GRAD(Rho)| 0.1503726E-15 GRAD(Rho)x 0.7994138E-16 GRAD(Rho)y -0.2181110E-19 GRAD(Rho)z 0.1273628E-15 Laplacian 0.1590253E+00 (-1/4)Del**2(Rho)) -0.3975631E-01 Diamond 0.6247197E-01 Metallicity 0.2155005E+01 Ellipticity 0.9870871E-02 Gb(Abramov) 0.4078339E-01 Vb(Abramov) -0.4181046E-01 Hb(Abramov) -0.1027073E-02 Ex_ueg -0.1060945E-01 Ec_ueg -0.1950368E-02 Delta_ex -0.1248840E-01 Delta_ec 0.4735831E-02 Delta_et -0.4753110E-01 Pxc 0.5439716E+01 Qxc -0.2637003E+01 3,-1 114 3 +1 0.613907 3.439208 -0.000249 Rho 0.1284995E-01 |GRAD(Rho)| 0.9384837E-17 GRAD(Rho)x 0.2946734E-17 GRAD(Rho)y 0.1838616E-17 GRAD(Rho)z -0.8718453E-17 Laplacian 0.6109031E-01 (-1/4)Del**2(Rho)) -0.1527258E-01 Diamond 0.2215091E-02 Metallicity 0.7952000E+00 Ellipticity -0.1157207E+01 Gb(Abramov) 0.1220584E-01 Vb(Abramov) -0.9139110E-02 Hb(Abramov) 0.3066734E-02 Ex_ueg -0.2222901E-02 Ec_ueg -0.4989463E-03 Delta_ex -0.2932725E-02 Delta_ec 0.5698162E-03 Delta_et -0.4509514E-02 Pxc 0.4455191E+01 Qxc -0.5146791E+01 3,+1 115 3 +3 0.556647 3.152141 0.001419 Rho 0.1253089E-01 |GRAD(Rho)| 0.6280317E-17 GRAD(Rho)x 0.3567987E-17 GRAD(Rho)y -0.6269487E-18 GRAD(Rho)z 0.5130184E-17 Laplacian 0.5765022E-01 (-1/4)Del**2(Rho)) -0.1441256E-01 Diamond 0.1309991E-02 Metallicity 0.8080695E+00 Ellipticity -0.6853174E+00 Gb(Abramov) 0.1154943E-01 Vb(Abramov) -0.8686301E-02 Hb(Abramov) 0.2863128E-02 Ex_ueg -0.2149616E-02 Ec_ueg -0.4841319E-03 Delta_ex -0.2555021E-02 Delta_ec 0.1924273E-03 Delta_et -0.1875283E-02 Pxc 0.4440146E+01 Qxc -0.1327785E+02 3,+3 116 3 -1 0.505843 3.299689 -1.509975 Rho 0.1474102E+00 |GRAD(Rho)| 0.2936104E-13 GRAD(Rho)x 0.1619608E-13 GRAD(Rho)y -0.1695014E-13 GRAD(Rho)z 0.1767626E-13 Laplacian 0.5822531E+00 (-1/4)Del**2(Rho)) -0.1455633E+00 Diamond 0.1156888E+01 Metallicity 0.4868334E+01 Ellipticity 0.3316798E-01 Gb(Abramov) 0.2151506E+00 Vb(Abramov) -0.2847380E+00 Hb(Abramov) -0.6958736E-01 Ex_ueg -0.5751153E-01 Ec_ueg -0.8277934E-02 Delta_ex -0.6227573E-01 Delta_ec 0.1486208E-01 Delta_et -0.1974162E+00 Pxc 0.6947571E+01 Qxc -0.4190242E+01 3,-1 117 3 -1 0.505089 3.305176 1.510760 Rho 0.1440488E+00 |GRAD(Rho)| 0.3921938E-09 GRAD(Rho)x -0.3761992E-09 GRAD(Rho)y -0.7416685E-10 GRAD(Rho)z 0.8239790E-10 Laplacian 0.5692257E+00 (-1/4)Del**2(Rho)) -0.1423064E+00 Diamond 0.1101061E+01 Metallicity 0.4791942E+01 Ellipticity 0.3071304E-01 Gb(Abramov) 0.2085250E+00 Vb(Abramov) -0.2747435E+00 Hb(Abramov) -0.6621855E-01 Ex_ueg -0.5576967E-01 Ec_ueg -0.8063649E-02 Delta_ex -0.6054971E-01 Delta_ec 0.1463039E-01 Delta_et -0.1937314E+00 Pxc 0.6916183E+01 Qxc -0.4138627E+01 3,-1 118 3 -1 0.722795 -3.202546 0.862365 Rho 0.1317372E+00 |GRAD(Rho)| 0.7692743E-14 GRAD(Rho)x -0.4631671E-14 GRAD(Rho)y -0.3671823E-14 GRAD(Rho)z 0.4923782E-14 Laplacian 0.5429977E+00 (-1/4)Del**2(Rho)) -0.1357494E+00 Diamond 0.9511327E+00 Metallicity 0.4328416E+01 Ellipticity 0.1417575E-01 Gb(Abramov) 0.1884296E+00 Vb(Abramov) -0.2411098E+00 Hb(Abramov) -0.5268020E-01 Ex_ueg -0.4950656E-01 Ec_ueg -0.7284891E-02 Delta_ex -0.5661119E-01 Delta_ec 0.1442443E-01 Delta_et -0.1887052E+00 Pxc 0.6795786E+01 Qxc -0.3924675E+01 3,-1 119 3 -1 0.800461 -3.203683 -0.872808 Rho 0.1484192E+00 |GRAD(Rho)| 0.2958873E-13 GRAD(Rho)x 0.1644764E-13 GRAD(Rho)y 0.9349692E-14 GRAD(Rho)z -0.2274976E-13 Laplacian 0.6197151E+00 (-1/4)Del**2(Rho)) -0.1549288E+00 Diamond 0.1239084E+01 Metallicity 0.4626345E+01 Ellipticity 0.1549291E-01 Gb(Abramov) 0.2227448E+00 Vb(Abramov) -0.2905609E+00 Hb(Abramov) -0.6781606E-01 Ex_ueg -0.5803704E-01 Ec_ueg -0.8342398E-02 Delta_ex -0.6636960E-01 Delta_ec 0.1574893E-01 Delta_et -0.2093021E+00 Pxc 0.6956877E+01 Qxc -0.4214229E+01 3,-1 120 3 -1 0.359506 -2.527389 -2.692704 Rho 0.1521479E+00 |GRAD(Rho)| 0.5415513E-15 GRAD(Rho)x -0.7039860E-16 GRAD(Rho)y 0.5219214E-15 GRAD(Rho)z -0.1261740E-15 Laplacian 0.6140334E+00 (-1/4)Del**2(Rho)) -0.1535083E+00 Diamond 0.1265070E+01 Metallicity 0.4866289E+01 Ellipticity 0.5514560E-01 Gb(Abramov) 0.2268415E+00 Vb(Abramov) -0.3001747E+00 Hb(Abramov) -0.7333320E-01 Ex_ueg -0.5998920E-01 Ec_ueg -0.8581153E-02 Delta_ex -0.6616564E-01 Delta_ec 0.1551218E-01 Delta_et -0.2068742E+00 Pxc 0.6990809E+01 Qxc -0.4265398E+01 3,-1 121 3 -1 1.879665 3.048361 -0.704363 Rho 0.1299434E+00 |GRAD(Rho)| 0.1032094E-13 GRAD(Rho)x -0.7912575E-14 GRAD(Rho)y -0.6219770E-14 GRAD(Rho)z 0.2286352E-14 Laplacian 0.5176584E+00 (-1/4)Del**2(Rho)) -0.1294146E+00 Diamond 0.8843425E+00 Metallicity 0.4437723E+01 Ellipticity 0.3138958E-01 Gb(Abramov) 0.1819941E+00 Vb(Abramov) -0.2345736E+00 Hb(Abramov) -0.5257949E-01 Ex_ueg -0.4860981E-01 Ec_ueg -0.7172249E-02 Delta_ex -0.5370016E-01 Delta_ec 0.1363273E-01 Delta_et -0.1776464E+00 Pxc 0.6777486E+01 Qxc -0.3939062E+01 3,-1 122 3 -1 1.879575 3.056854 0.712331 Rho 0.1347667E+00 |GRAD(Rho)| 0.9862462E-14 GRAD(Rho)x -0.7450244E-14 GRAD(Rho)y -0.6058122E-14 GRAD(Rho)z -0.2249706E-14 Laplacian 0.5364109E+00 (-1/4)Del**2(Rho)) -0.1341027E+00 Diamond 0.9581061E+00 Metallicity 0.4550788E+01 Ellipticity 0.3845502E-01 Gb(Abramov) 0.1911140E+00 Vb(Abramov) -0.2481253E+00 Hb(Abramov) -0.5701127E-01 Ex_ueg -0.5103035E-01 Ec_ueg -0.7475616E-02 Delta_ex -0.5614567E-01 Delta_ec 0.1401821E-01 Delta_et -0.1837669E+00 Pxc 0.6826240E+01 Qxc -0.4005194E+01 3,-1 123 3 -1 1.706353 -0.596677 -1.567687 Rho 0.2956454E-01 |GRAD(Rho)| 0.4914707E-14 GRAD(Rho)x -0.4201189E-14 GRAD(Rho)y 0.6808701E-15 GRAD(Rho)z 0.2457797E-14 Laplacian 0.1091323E+00 (-1/4)Del**2(Rho)) -0.2728309E-01 Diamond 0.2548251E-01 Metallicity 0.1784890E+01 Ellipticity 0.1004381E+00 Gb(Abramov) 0.2630494E-01 Vb(Abramov) -0.2532680E-01 Hb(Abramov) 0.9781443E-03 Ex_ueg -0.6751700E-02 Ec_ueg -0.1321167E-02 Delta_ex -0.7751405E-02 Delta_ec 0.3014792E-02 Delta_et -0.2759156E-01 Pxc 0.5110405E+01 Qxc -0.2571124E+01 3,-1 124 3 +3 1.792557 0.315699 -0.011188 Rho 0.4286027E-02 |GRAD(Rho)| 0.4704008E-11 GRAD(Rho)x -0.4650519E-11 GRAD(Rho)y -0.7071286E-12 GRAD(Rho)z 0.1820401E-13 Laplacian 0.1748161E-01 (-1/4)Del**2(Rho)) -0.4370403E-02 Diamond 0.1196187E-03 Metallicity 0.4457826E+00 Ellipticity -0.3709802E+00 Gb(Abramov) 0.3238311E-02 Vb(Abramov) -0.2106218E-02 Hb(Abramov) 0.1132093E-02 Ex_ueg -0.5141915E-03 Ec_ueg -0.1163182E-03 Delta_ex -0.6024621E-03 Delta_ec 0.1192259E-03 Delta_et -0.7949854E-03 Pxc 0.4420559E+01 Qxc -0.5053115E+01 3,+3 125 3 -1 -1.055981 -0.178143 -3.351178 Rho 0.2303282E+00 |GRAD(Rho)| 0.1591105E-13 GRAD(Rho)x 0.1544273E-13 GRAD(Rho)y 0.1239067E-14 GRAD(Rho)z -0.3626087E-14 Laplacian 0.8942542E+00 (-1/4)Del**2(Rho)) -0.2235635E+00 Diamond 0.2971016E+01 Metallicity 0.6669050E+01 Ellipticity 0.1901128E-01 Gb(Abramov) 0.3975351E+00 Vb(Abramov) -0.5715067E+00 Hb(Abramov) -0.1739716E+00 Ex_ueg -0.1042752E+00 Ec_ueg -0.1377309E-01 Delta_ex -0.1066732E+00 Delta_ec 0.1960376E-01 Delta_et -0.2694667E+00 Pxc 0.7570939E+01 Qxc -0.5441464E+01 3,-1 126 3 -1 -1.030596 -0.159530 3.383379 Rho 0.2292786E+00 |GRAD(Rho)| 0.4061434E-15 GRAD(Rho)x 0.3353437E-15 GRAD(Rho)y 0.1932590E-16 GRAD(Rho)z 0.2283059E-15 Laplacian 0.8881553E+00 (-1/4)Del**2(Rho)) -0.2220388E+00 Diamond 0.2935085E+01 Metallicity 0.6663927E+01 Ellipticity 0.1795235E-01 Gb(Abramov) 0.3946343E+00 Vb(Abramov) -0.5672298E+00 Hb(Abramov) -0.1725955E+00 Ex_ueg -0.1036422E+00 Ec_ueg -0.1370113E-01 Delta_ex -0.1058224E+00 Delta_ec 0.1950127E-01 Delta_et -0.2680341E+00 Pxc 0.7564501E+01 Qxc -0.5426439E+01 3,-1 127 3 +1 1.154448 -0.371693 2.349340 Rho 0.2242535E-01 |GRAD(Rho)| 0.2376486E-16 GRAD(Rho)x 0.5241212E-17 GRAD(Rho)y 0.8173569E-17 GRAD(Rho)z 0.2169081E-16 Laplacian 0.8799093E-01 (-1/4)Del**2(Rho)) -0.2199773E-01 Diamond 0.1085625E-01 Metallicity 0.1396606E+01 Ellipticity -0.5463201E+01 Gb(Abramov) 0.1978552E-01 Vb(Abramov) -0.1757330E-01 Hb(Abramov) 0.2212217E-02 Ex_ueg -0.4670578E-02 Ec_ueg -0.9599790E-03 Delta_ex -0.5435365E-02 Delta_ec 0.1705296E-02 Delta_et -0.1459028E-01 Pxc 0.4865292E+01 Qxc -0.3187343E+01 3,+1 128 3 +1 -0.301315 2.711447 0.007361 Rho 0.2526076E-01 |GRAD(Rho)| 0.7263059E-14 GRAD(Rho)x 0.9092679E-15 GRAD(Rho)y -0.8702352E-15 GRAD(Rho)z 0.7153178E-14 Laplacian 0.9610192E-01 (-1/4)Del**2(Rho)) -0.2402548E-01 Diamond 0.1280661E-01 Metallicity 0.1559403E+01 Ellipticity -0.4355161E+01 Gb(Abramov) 0.2226122E-01 Vb(Abramov) -0.2049697E-01 Hb(Abramov) 0.1764258E-02 Ex_ueg -0.5474111E-02 Ec_ueg -0.1101852E-02 Delta_ex -0.5999686E-02 Delta_ec 0.1641620E-02 Delta_et -0.1452525E-01 Pxc 0.4968100E+01 Qxc -0.3654734E+01 3,+1 129 3 -1 -0.105528 2.283180 0.848213 Rho 0.4259795E-01 |GRAD(Rho)| 0.2132512E-14 GRAD(Rho)x -0.3739385E-15 GRAD(Rho)y 0.2054729E-14 GRAD(Rho)z 0.4311205E-15 Laplacian 0.1626346E+00 (-1/4)Del**2(Rho)) -0.4065866E-01 Diamond 0.6466975E-01 Metallicity 0.2201479E+01 Ellipticity 0.1599058E-01 Gb(Abramov) 0.4202397E-01 Vb(Abramov) -0.4338928E-01 Hb(Abramov) -0.1365313E-02 Ex_ueg -0.1098761E-01 Ec_ueg -0.2009998E-02 Delta_ex -0.1277320E-01 Delta_ec 0.4695426E-02 Delta_et -0.4743477E-01 Pxc 0.5466478E+01 Qxc -0.2720351E+01 3,-1 130 3 -1 0.290798 -2.512311 2.704589 Rho 0.1450587E+00 |GRAD(Rho)| 0.3688052E-13 GRAD(Rho)x -0.6460520E-14 GRAD(Rho)y 0.3630718E-13 GRAD(Rho)z -0.4726037E-15 Laplacian 0.5736898E+00 (-1/4)Del**2(Rho)) -0.1434225E+00 Diamond 0.1122714E+01 Metallicity 0.4810340E+01 Ellipticity 0.4449577E-01 Gb(Abramov) 0.2106001E+00 Vb(Abramov) -0.2777777E+00 Hb(Abramov) -0.6717763E-01 Ex_ueg -0.5629159E-01 Ec_ueg -0.8127955E-02 Delta_ex -0.6116707E-01 Delta_ec 0.1478805E-01 Delta_et -0.1961684E+00 Pxc 0.6925677E+01 Qxc -0.4136250E+01 3,-1 131 3 -1 3.233680 3.139948 0.013334 Rho 0.2403423E+00 |GRAD(Rho)| 0.2673280E-15 GRAD(Rho)x 0.2327782E-15 GRAD(Rho)y 0.1314053E-15 GRAD(Rho)z 0.3347262E-17 Laplacian 0.8803194E+00 (-1/4)Del**2(Rho)) -0.2200798E+00 Diamond 0.3114999E+01 Metallicity 0.7272602E+01 Ellipticity 0.2438749E-02 Gb(Abramov) 0.4134787E+00 Vb(Abramov) -0.6068777E+00 Hb(Abramov) -0.1933989E+00 Ex_ueg -0.1103634E+00 Ec_ueg -0.1446278E-01 Delta_ex -0.1063800E+00 Delta_ec 0.1940289E-01 Delta_et -0.2686180E+00 Pxc 0.7630862E+01 Qxc -0.5482688E+01 3,-1 132 3 -1 -1.944264 0.886777 0.719391 Rho 0.4331998E-01 |GRAD(Rho)| 0.9439237E-14 GRAD(Rho)x -0.9018292E-14 GRAD(Rho)y -0.2720281E-14 GRAD(Rho)z -0.6079974E-15 Laplacian 0.1165929E+00 (-1/4)Del**2(Rho)) -0.2914823E-01 Diamond 0.7366733E-01 Metallicity 0.3158068E+01 Ellipticity 0.4417807E-02 Gb(Abramov) 0.3477417E-01 Vb(Abramov) -0.4040010E-01 Hb(Abramov) -0.5625938E-02 Ex_ueg -0.1123663E-01 Ec_ueg -0.2049098E-02 Delta_ex -0.1056470E-01 Delta_ec 0.5809816E-02 Delta_et -0.5938579E-01 Pxc 0.5483696E+01 Qxc -0.1818422E+01 3,-1 133 3 -1 -0.668960 3.546288 -0.797850 Rho 0.1409427E+00 |GRAD(Rho)| 0.7287515E-16 GRAD(Rho)x 0.1337296E-16 GRAD(Rho)y -0.3524335E-16 GRAD(Rho)z 0.6236873E-16 Laplacian 0.5541493E+00 (-1/4)Del**2(Rho)) -0.1385373E+00 Diamond 0.1044776E+01 Metallicity 0.4746687E+01 Ellipticity 0.3460435E-01 Gb(Abramov) 0.2019571E+00 Vb(Abramov) -0.2653769E+00 Hb(Abramov) -0.6341978E-01 Ex_ueg -0.5417203E-01 Ec_ueg -0.7866260E-02 Delta_ex -0.5863962E-01 Delta_ec 0.1433023E-01 Delta_et -0.1891674E+00 Pxc 0.6886631E+01 Qxc -0.4092022E+01 3,-1 134 3 -1 -0.668989 3.544269 0.800360 Rho 0.1368506E+00 |GRAD(Rho)| 0.4378870E-13 GRAD(Rho)x -0.2398328E-13 GRAD(Rho)y 0.1324607E-13 GRAD(Rho)z -0.3415837E-13 Laplacian 0.5393072E+00 (-1/4)Del**2(Rho)) -0.1348268E+00 Diamond 0.9804111E+00 Metallicity 0.4643601E+01 Ellipticity 0.3313789E-01 Gb(Abramov) 0.1942315E+00 Vb(Abramov) -0.2536362E+00 Hb(Abramov) -0.5940470E-01 Ex_ueg -0.5208517E-01 Ec_ueg -0.7607154E-02 Delta_ex -0.5665024E-01 Delta_ec 0.1402593E-01 Delta_et -0.1842776E+00 Pxc 0.6846867E+01 Qxc -0.4038966E+01 3,-1 135 3 -1 -0.720800 3.811384 -2.300451 Rho 0.2418123E+00 |GRAD(Rho)| 0.1946628E-15 GRAD(Rho)x 0.1936114E-15 GRAD(Rho)y -0.1550409E-16 GRAD(Rho)z 0.1295622E-16 Laplacian 0.8879535E+00 (-1/4)Del**2(Rho)) -0.2219884E+00 Diamond 0.3159402E+01 Metallicity 0.7283728E+01 Ellipticity 0.4108656E-02 Gb(Abramov) 0.4174760E+00 Vb(Abramov) -0.6129637E+00 Hb(Abramov) -0.1954877E+00 Ex_ueg -0.1112644E+00 Ec_ueg -0.1456448E-01 Delta_ex -0.1074433E+00 Delta_ec 0.1948151E-01 Delta_et -0.2695172E+00 Pxc 0.7639434E+01 Qxc -0.5515142E+01 3,-1 136 3 -1 -0.724510 3.812122 2.303039 Rho 0.2418918E+00 |GRAD(Rho)| 0.1203162E-11 GRAD(Rho)x 0.3024296E-12 GRAD(Rho)y -0.8973398E-12 GRAD(Rho)z -0.7422372E-12 Laplacian 0.8886792E+00 (-1/4)Del**2(Rho)) -0.2221698E+00 Diamond 0.3162935E+01 Metallicity 0.7281766E+01 Ellipticity 0.5081129E-02 Gb(Abramov) 0.4177446E+00 Vb(Abramov) -0.6133194E+00 Hb(Abramov) -0.1955748E+00 Ex_ueg -0.1113132E+00 Ec_ueg -0.1456999E-01 Delta_ex -0.1075388E+00 Delta_ec 0.1949270E-01 Delta_et -0.2696619E+00 Pxc 0.7639896E+01 Qxc -0.5516876E+01 3,-1 137 3 -1 -0.104702 2.284485 -0.839724 Rho 0.4234795E-01 |GRAD(Rho)| 0.2421015E-14 GRAD(Rho)x -0.6966325E-15 GRAD(Rho)y 0.1615074E-14 GRAD(Rho)z -0.1663597E-14 Laplacian 0.1618134E+00 (-1/4)Del**2(Rho)) -0.4045334E-01 Diamond 0.6375668E-01 Metallicity 0.2191052E+01 Ellipticity 0.1717154E-01 Gb(Abramov) 0.4174146E-01 Vb(Abramov) -0.4302958E-01 Hb(Abramov) -0.1288118E-02 Ex_ueg -0.1090172E-01 Ec_ueg -0.1996481E-02 Delta_ex -0.1268603E-01 Delta_ec 0.4664861E-02 Delta_et -0.4705136E-01 Pxc 0.5460466E+01 Qxc -0.2719488E+01 3,-1 138 3 -1 0.982024 -0.127985 -3.462263 Rho 0.8949987E-01 |GRAD(Rho)| 0.6724668E-13 GRAD(Rho)x -0.3337239E-13 GRAD(Rho)y -0.5838028E-13 GRAD(Rho)z -0.3779126E-15 Laplacian 0.3635916E+00 (-1/4)Del**2(Rho)) -0.9089791E-01 Diamond 0.3929715E+00 Metallicity 0.3393933E+01 Ellipticity 0.1587223E-02 Gb(Abramov) 0.1120155E+00 Vb(Abramov) -0.1331331E+00 Hb(Abramov) -0.2111761E-01 Ex_ueg -0.2956752E-01 Ec_ueg -0.4693510E-02 Delta_ex -0.3448575E-01 Delta_ec 0.1029576E-01 Delta_et -0.1249256E+00 Pxc 0.6299661E+01 Qxc -0.3349509E+01 3,-1 139 3 -1 2.716545 1.896214 -0.707958 Rho 0.1520200E+00 |GRAD(Rho)| 0.5495732E-12 GRAD(Rho)x 0.1279139E-12 GRAD(Rho)y -0.3654842E-12 GRAD(Rho)z -0.3899871E-12 Laplacian 0.6356100E+00 (-1/4)Del**2(Rho)) -0.1589025E+00 Diamond 0.1309377E+01 Metallicity 0.4694508E+01 Ellipticity 0.1686380E-01 Gb(Abramov) 0.2302632E+00 Vb(Abramov) -0.3016239E+00 Hb(Abramov) -0.7136067E-01 Ex_ueg -0.5992194E-01 Ec_ueg -0.8572945E-02 Delta_ex -0.6848796E-01 Delta_ec 0.1608119E-01 Delta_et -0.2144863E+00 Pxc 0.6989656E+01 Qxc -0.4258887E+01 3,-1 140 3 -1 2.712044 1.875595 0.688983 Rho 0.1675736E+00 |GRAD(Rho)| 0.1039999E-08 GRAD(Rho)x 0.2403748E-09 GRAD(Rho)y -0.7268357E-09 GRAD(Rho)z 0.7039371E-09 Laplacian 0.7022335E+00 (-1/4)Del**2(Rho)) -0.1755584E+00 Diamond 0.1613468E+01 Metallicity 0.4998132E+01 Ellipticity 0.2881366E-01 Gb(Abramov) 0.2632829E+00 Vb(Abramov) -0.3510075E+00 Hb(Abramov) -0.8772453E-01 Ex_ueg -0.6823271E-01 Ec_ueg -0.9577813E-02 Delta_ex -0.7740643E-01 Delta_ec 0.1713943E-01 Delta_et -0.2309479E+00 Pxc 0.7124039E+01 Qxc -0.4516278E+01 3,-1 141 3 +1 2.997757 0.571916 -0.032560 Rho 0.1278478E-01 |GRAD(Rho)| 0.1138110E-14 GRAD(Rho)x -0.6556456E-15 GRAD(Rho)y -0.9296648E-15 GRAD(Rho)z 0.3385617E-16 Laplacian 0.6372034E-01 (-1/4)Del**2(Rho)) -0.1593009E-01 Diamond 0.2735226E-02 Metallicity 0.7559451E+00 Ellipticity -0.1269260E+01 Gb(Abramov) 0.1262710E-01 Vb(Abramov) -0.9324118E-02 Hb(Abramov) 0.3302984E-02 Ex_ueg -0.2207882E-02 Ec_ueg -0.4959171E-03 Delta_ex -0.3171788E-02 Delta_ec 0.8034215E-03 Delta_et -0.6135648E-02 Pxc 0.4452119E+01 Qxc -0.3947850E+01 3,+1 142 3 -1 2.944462 0.373110 1.570157 Rho 0.1120019E+00 |GRAD(Rho)| 0.1238663E-13 GRAD(Rho)x 0.9640925E-14 GRAD(Rho)y -0.5734061E-14 GRAD(Rho)z 0.5253729E-14 Laplacian 0.4686555E+00 (-1/4)Del**2(Rho)) -0.1171639E+00 Diamond 0.6744339E+00 Metallicity 0.3826501E+01 Ellipticity 0.1738044E-01 Gb(Abramov) 0.1528305E+00 Vb(Abramov) -0.1884972E+00 Hb(Abramov) -0.3566665E-01 Ex_ueg -0.3987362E-01 Ec_ueg -0.6057651E-02 Delta_ex -0.4699441E-01 Delta_ec 0.1290414E-01 Delta_et -0.1640511E+00 Pxc 0.6582356E+01 Qxc -0.3641809E+01 3,-1 143 3 -1 2.960338 0.435959 -1.599019 Rho 0.1325703E+00 |GRAD(Rho)| 0.6731224E-14 GRAD(Rho)x 0.4161876E-14 GRAD(Rho)y 0.3645088E-14 GRAD(Rho)z 0.3834254E-14 Laplacian 0.5526284E+00 (-1/4)Del**2(Rho)) -0.1381571E+00 Diamond 0.9723428E+00 Metallicity 0.4297908E+01 Ellipticity 0.1341155E-01 Gb(Abramov) 0.1910691E+00 Vb(Abramov) -0.2439812E+00 Hb(Abramov) -0.5291205E-01 Ex_ueg -0.4992447E-01 Ec_ueg -0.7337282E-02 Delta_ex -0.5766736E-01 Delta_ec 0.1459490E-01 Delta_et -0.1910116E+00 Pxc 0.6804218E+01 Qxc -0.3951199E+01 3,-1 144 3 -1 -0.491362 -3.075926 1.559811 Rho 0.2132013E+00 |GRAD(Rho)| 0.2338522E-13 GRAD(Rho)x -0.6498870E-14 GRAD(Rho)y -0.1010513E-13 GRAD(Rho)z -0.2006289E-13 Laplacian 0.8182983E+00 (-1/4)Del**2(Rho)) -0.2045746E+00 Diamond 0.2496762E+01 Metallicity 0.6407442E+01 Ellipticity 0.2074488E-01 Gb(Abramov) 0.3548496E+00 Vb(Abramov) -0.5051247E+00 Hb(Abramov) -0.1502751E+00 Ex_ueg -0.9406720E-01 Ec_ueg -0.1260630E-01 Delta_ex -0.9579505E-01 Delta_ec 0.1855963E-01 Delta_et -0.2550322E+00 Pxc 0.7461918E+01 Qxc -0.5161473E+01 3,-1 145 3 -1 -0.803422 0.008629 -0.000679 Rho 0.2175570E+00 |GRAD(Rho)| 0.1636569E-14 GRAD(Rho)x 0.1599213E-14 GRAD(Rho)y 0.3240310E-15 GRAD(Rho)z 0.1260152E-15 Laplacian 0.8700623E+00 (-1/4)Del**2(Rho)) -0.2175156E+00 Diamond 0.2899914E+01 Metallicity 0.6232819E+01 Ellipticity 0.9356525E-02 Gb(Abramov) 0.3709662E+00 Vb(Abramov) -0.5244169E+00 Hb(Abramov) -0.1534507E+00 Ex_ueg -0.9663826E-01 Ec_ueg -0.1290151E-01 Delta_ex -0.1034795E+00 Delta_ec 0.2156913E-01 Delta_et -0.3043793E+00 Pxc 0.7490464E+01 Qxc -0.4797572E+01 3,-1 146 3 -1 3.109134 -0.768489 0.877079 Rho 0.1336943E+00 |GRAD(Rho)| 0.1249688E-09 GRAD(Rho)x 0.6902984E-11 GRAD(Rho)y -0.3409476E-10 GRAD(Rho)z -0.1200296E-09 Laplacian 0.5636641E+00 (-1/4)Del**2(Rho)) -0.1409160E+00 Diamond 0.9984337E+00 Metallicity 0.4273473E+01 Ellipticity 0.1379345E-01 Gb(Abramov) 0.1943108E+00 Vb(Abramov) -0.2477056E+00 Hb(Abramov) -0.5339478E-01 Ex_ueg -0.5048963E-01 Ec_ueg -0.7408034E-02 Delta_ex -0.5889900E-01 Delta_ec 0.1478504E-01 Delta_et -0.1936256E+00 Pxc 0.6815524E+01 Qxc -0.3983690E+01 3,-1 147 3 -1 3.119448 -0.728939 -0.898854 Rho 0.1442084E+00 |GRAD(Rho)| 0.9227077E-12 GRAD(Rho)x 0.1107375E-12 GRAD(Rho)y -0.1536278E-12 GRAD(Rho)z 0.9030644E-12 Laplacian 0.6125919E+00 (-1/4)Del**2(Rho)) -0.1531480E+00 Diamond 0.1181432E+01 Metallicity 0.4460939E+01 Ellipticity 0.8013982E-02 Gb(Abramov) 0.2159626E+00 Vb(Abramov) -0.2787772E+00 Hb(Abramov) -0.6281463E-01 Ex_ueg -0.5585206E-01 Ec_ueg -0.8073806E-02 Delta_ex -0.6512685E-01 Delta_ec 0.1564530E-01 Delta_et -0.2069971E+00 Pxc 0.6917687E+01 Qxc -0.4162709E+01 3,-1 148 3 -1 0.084964 -0.259179 -0.511402 Rho 0.1934283E+00 |GRAD(Rho)| 0.1007205E-14 GRAD(Rho)x 0.2393391E-15 GRAD(Rho)y -0.7661621E-15 GRAD(Rho)z -0.6084198E-15 Laplacian 0.6255216E+00 (-1/4)Del**2(Rho)) -0.1563804E+00 Diamond 0.1904423E+01 Metallicity 0.7126957E+01 Ellipticity 0.1391519E-01 Gb(Abramov) 0.2900063E+00 Vb(Abramov) -0.4236322E+00 Hb(Abramov) -0.1336259E+00 Ex_ueg -0.8261869E-01 Ec_ueg -0.1127944E-01 Delta_ex -0.7288868E-01 Delta_ec 0.1719301E-01 Delta_et -0.2433736E+00 Pxc 0.7324714E+01 Qxc -0.4239438E+01 3,-1 149 3 -1 0.007455 0.626259 0.002945 Rho 0.1837847E+00 |GRAD(Rho)| 0.1887797E-13 GRAD(Rho)x -0.4847487E-14 GRAD(Rho)y -0.1824152E-13 GRAD(Rho)z -0.3559307E-15 Laplacian 0.5428300E+00 (-1/4)Del**2(Rho)) -0.1357075E+00 Diamond 0.1560526E+01 Metallicity 0.7541626E+01 Ellipticity 0.4390130E-02 Gb(Abramov) 0.2610475E+00 Vb(Abramov) -0.3863875E+00 Hb(Abramov) -0.1253400E+00 Ex_ueg -0.7717280E-01 Ec_ueg -0.1064028E-01 Delta_ex -0.6250981E-01 Delta_ec 0.1519744E-01 Delta_et -0.2138451E+00 Pxc 0.7252894E+01 Qxc -0.4113181E+01 3,-1 150 3 -1 2.449849 -0.348637 2.686729 Rho 0.1787222E+00 |GRAD(Rho)| 0.4257519E-15 GRAD(Rho)x -0.1354711E-15 GRAD(Rho)y 0.2714029E-15 GRAD(Rho)z 0.2987519E-15 Laplacian 0.6974222E+00 (-1/4)Del**2(Rho)) -0.1743556E+00 Diamond 0.1740834E+01 Metallicity 0.5602928E+01 Ellipticity 0.4044203E-01 Gb(Abramov) 0.2790540E+00 Vb(Abramov) -0.3837524E+00 Hb(Abramov) -0.1046984E+00 Ex_ueg -0.7435152E-01 Ec_ueg -0.1030686E-01 Delta_ex -0.7820400E-01 Delta_ec 0.1687247E-01 Delta_et -0.2293642E+00 Pxc 0.7213792E+01 Qxc -0.4635007E+01 3,-1 151 3 -1 3.882500 -0.613780 -2.243789 Rho 0.2393895E+00 |GRAD(Rho)| 0.1085571E-13 GRAD(Rho)x 0.1766165E-14 GRAD(Rho)y 0.1618422E-14 GRAD(Rho)z -0.1058810E-13 Laplacian 0.8586854E+00 (-1/4)Del**2(Rho)) -0.2146713E+00 Diamond 0.3038745E+01 Metallicity 0.7406632E+01 Ellipticity 0.8416199E-02 Gb(Abramov) 0.4081128E+00 Vb(Abramov) -0.6015543E+00 Hb(Abramov) -0.1934415E+00 Ex_ueg -0.1097805E+00 Ec_ueg -0.1439692E-01 Delta_ex -0.1037370E+00 Delta_ec 0.1908942E-01 Delta_et -0.2648652E+00 Pxc 0.7625275E+01 Qxc -0.5434269E+01 3,-1 152 3 -1 3.866523 -0.690461 2.228918 Rho 0.2374945E+00 |GRAD(Rho)| 0.7724031E-13 GRAD(Rho)x -0.6886429E-13 GRAD(Rho)y 0.2056420E-13 GRAD(Rho)z -0.2829998E-13 Laplacian 0.8538181E+00 (-1/4)Del**2(Rho)) -0.2134545E+00 Diamond 0.2992374E+01 Metallicity 0.7350839E+01 Ellipticity 0.4113305E-02 Gb(Abramov) 0.4038147E+00 Vb(Abramov) -0.5941748E+00 Hb(Abramov) -0.1903601E+00 Ex_ueg -0.1086233E+00 Ec_ueg -0.1426608E-01 Delta_ex -0.1029334E+00 Delta_ec 0.1902202E-01 Delta_et -0.2638339E+00 Pxc 0.7614094E+01 Qxc -0.5411276E+01 3,-1 153 3 -1 2.446600 -0.333379 -2.696735 Rho 0.1775605E+00 |GRAD(Rho)| 0.1181137E-12 GRAD(Rho)x -0.5891636E-14 GRAD(Rho)y 0.1112434E-12 GRAD(Rho)z -0.3925609E-13 Laplacian 0.6993001E+00 (-1/4)Del**2(Rho)) -0.1748250E+00 Diamond 0.1726664E+01 Metallicity 0.5527475E+01 Ellipticity 0.4480028E-01 Gb(Abramov) 0.2776068E+00 Vb(Abramov) -0.3803886E+00 Hb(Abramov) -0.1027818E+00 Ex_ueg -0.7370781E-01 Ec_ueg -0.1023055E-01 Delta_ex -0.7824439E-01 Delta_ec 0.1687249E-01 Delta_et -0.2289869E+00 Pxc 0.7204677E+01 Qxc -0.4637395E+01 3,-1 154 3 -1 -0.196659 2.370316 2.368280 Rho 0.1494255E+00 |GRAD(Rho)| 0.5310461E-15 GRAD(Rho)x 0.1595742E-15 GRAD(Rho)y -0.4005043E-15 GRAD(Rho)z 0.3100683E-15 Laplacian 0.6238427E+00 (-1/4)Del**2(Rho)) -0.1559607E+00 Diamond 0.1254333E+01 Metallicity 0.4647782E+01 Ellipticity 0.1559456E-01 Gb(Abramov) 0.2247857E+00 Vb(Abramov) -0.2936107E+00 Hb(Abramov) -0.6882499E-01 Ex_ueg -0.5856227E-01 Ec_ueg -0.8406746E-02 Delta_ex -0.6689092E-01 Delta_ec 0.1577064E-01 Delta_et -0.2096591E+00 Pxc 0.6966104E+01 Qxc -0.4241484E+01 3,-1 155 3 -1 0.723275 -3.934493 -2.231631 Rho 0.2398680E+00 |GRAD(Rho)| 0.6036911E-11 GRAD(Rho)x 0.6824507E-12 GRAD(Rho)y -0.5547798E-11 GRAD(Rho)z -0.2280457E-11 Laplacian 0.8694980E+00 (-1/4)Del**2(Rho)) -0.2173745E+00 Diamond 0.3075735E+01 Metallicity 0.7338912E+01 Ellipticity 0.2344280E-02 Gb(Abramov) 0.4107984E+00 Vb(Abramov) -0.6042223E+00 Hb(Abramov) -0.1934239E+00 Ex_ueg -0.1100732E+00 Ec_ueg -0.1442999E-01 Delta_ex -0.1050518E+00 Delta_ec 0.1923585E-01 Delta_et -0.2665544E+00 Pxc 0.7628084E+01 Qxc -0.5461251E+01 3,-1 156 3 -1 -2.121441 1.495163 -1.189416 Rho 0.3071076E+00 |GRAD(Rho)| 0.5836715E-15 GRAD(Rho)x -0.3993066E-15 GRAD(Rho)y 0.3666886E-15 GRAD(Rho)z -0.2162547E-15 Laplacian -0.1547619E+01 (-1/4)Del**2(Rho)) 0.3869048E+00 Diamond 0.5251904E+01 Metallicity -0.6224434E+01 Ellipticity 0.5738070E-03 Gb(Abramov) 0.1434407E+00 Vb(Abramov) -0.6737863E+00 Hb(Abramov) -0.5303456E+00 Ex_ueg -0.1530285E+00 Ec_ueg -0.1920156E-01 Delta_ex 0.1512461E+00 Delta_ec 0.5471093E-01 Delta_et -0.1274404E+01 Pxc 0.7969588E+01 Qxc 0.2764459E+01 3,-1 157 3 -1 -2.121038 1.498112 1.186605 Rho 0.3069107E+00 |GRAD(Rho)| 0.9955675E-12 GRAD(Rho)x 0.9475024E-12 GRAD(Rho)y 0.2785104E-12 GRAD(Rho)z -0.1258010E-12 Laplacian -0.1546057E+01 (-1/4)Del**2(Rho)) 0.3865141E+00 Diamond 0.5242222E+01 Metallicity -0.6224071E+01 Ellipticity 0.6366597E-03 Gb(Abramov) 0.1432725E+00 Vb(Abramov) -0.6730591E+00 Hb(Abramov) -0.5297866E+00 Ex_ueg -0.1528978E+00 Ec_ueg -0.1918723E-01 Delta_ex 0.1510564E+00 Delta_ec 0.5465358E-01 Delta_et -0.1272739E+01 Pxc 0.7968726E+01 Qxc 0.2763889E+01 3,-1 158 3 -1 -1.330747 -3.055569 0.205144 Rho 0.4952168E-01 |GRAD(Rho)| 0.1189954E-13 GRAD(Rho)x 0.1323912E-14 GRAD(Rho)y -0.1018860E-13 GRAD(Rho)z 0.6003237E-14 Laplacian 0.1290534E+00 (-1/4)Del**2(Rho)) -0.3226336E-01 Diamond 0.1020184E+00 Metallicity 0.3565900E+01 Ellipticity 0.9280826E-02 Gb(Abramov) 0.4068356E-01 Vb(Abramov) -0.4910376E-01 Hb(Abramov) -0.8420200E-02 Ex_ueg -0.1343112E-01 Ec_ueg -0.2388451E-02 Delta_ex -0.1223183E-01 Delta_ec 0.6764329E-02 Delta_et -0.7195619E-01 Pxc 0.5623359E+01 Qxc -0.1808284E+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 72 119 81 82 120 155 63 129 108 154 134 117 136 103 146 142 88 150 152 61 111 125 138 70 131 101 139 140 121 122 66 113 126 112 69 84 68 144 118 130 86 92 123 143 147 153 87 151 137 110 107 135 116 133 148 104 64 145 132 50 149 65 158 52 49 156 157 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 17 19 21 21 23 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 19 28 36 45 46 36 36 47 23 28 46 45 2.494523 1.917760 1.933297 1.954953 1.915507 1.743836 1.755473 2.448365 1.923748 1.914816 1.960641 1.939428 1.739962 2.593535 1.958094 2.028126 1.860605 1.855687 1.747754 2.437615 1.949233 1.758396 2.130833 1.994078 1.742834 2.430514 1.908391 1.870381 1.980671 1.965666 1.755549 2.450913 1.760337 1.966791 1.968202 2.129079 2.474869 1.789478 1.965354 1.934846 2.098079 1.752026 2.604323 1.961407 1.928195 1.858243 1.935102 1.744767 2.450753 1.931842 1.925828 1.740093 1.930543 1.949014 1.578925 3.225708 3.183497 1.526803 1.738666 1.734703 1.602826 1.578379 1.663314 2.939503 2.935310 1.007368 1.007535 2.495547 1.918291 1.934244 1.955529 1.916113 1.743841 1.755500 2.449489 1.924996 1.915296 1.961219 1.940015 1.739966 2.594615 1.958502 2.028486 1.860982 1.856101 1.747765 2.438782 1.949539 1.758448 2.131338 1.994661 1.742840 2.431716 1.908833 1.870821 1.981252 1.966245 1.755578 2.452089 1.760387 1.967090 1.968786 2.129619 2.475904 1.789585 1.965662 1.935416 2.098613 1.752050 2.605379 1.961845 1.928601 1.858689 1.935576 1.744775 2.451899 1.932319 1.927098 1.740097 1.931131 1.949578 1.578935 3.259329 3.210419 1.526879 1.745365 1.741541 1.602858 1.578389 1.666047 2.950052 2.948232 1.007450 1.007620 29 23 26 25 23 21 24 27 23 23 24 26 22 32 23 25 22 22 21 29 23 23 25 25 21 30 24 25 26 25 27 27 23 23 25 25 29 23 23 23 25 22 29 25 23 22 23 21 27 23 23 22 25 25 21 35 35 21 25 25 21 24 23 33 33 18 19 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 W O W W W W W O O 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 P O O O O O O O O H H H 2.4382 -0.8389 2.4495 2.4318 2.3652 2.4876 2.3535 -0.8064 -0.8403 2.3724 2.4455 2.4472 -1.0366 -0.9100 -1.0703 -1.0373 -0.8651 -0.9766 -0.8054 -0.9660 -0.7809 -0.9768 -0.7792 -0.9748 -0.9740 -0.8044 -0.9559 -0.8005 -0.9667 -0.8015 -0.9785 -1.0019 -0.9789 -0.9681 -0.9691 2.2530 -0.8326 -0.9693 -0.9867 -0.9797 -0.8105 -0.8179 -0.8010 -0.8273 0.2810 0.2807 0.2837 2.1047 1.9571 2.0998 2.0989 2.1244 2.0860 2.1267 1.9626 1.9570 2.1219 2.0934 2.1009 1.8952 1.9128 1.8927 1.8956 1.9549 1.9286 1.9598 1.9316 1.8766 1.9299 1.8769 1.9303 1.9290 1.8766 1.9338 1.9605 1.9428 1.9630 1.9405 1.9378 1.9381 1.9382 1.9411 2.5576 1.9581 1.9421 1.9399 1.9405 1.9611 1.9616 1.9632 1.9598 0.5596 0.5594 0.5503 6.1086 4.8490 6.1005 6.0987 6.1120 6.0845 6.1163 4.8091 4.8505 6.1161 6.0988 6.1011 5.1039 4.9550 5.1389 5.1040 4.8774 5.0188 4.8126 5.0038 4.8731 5.0182 4.8710 5.0142 5.0159 4.8969 4.9919 4.8067 4.9939 4.8034 5.0068 5.0326 5.0087 4.9981 4.9970 7.3733 4.8412 4.9971 5.0156 5.0077 4.8150 4.8219 4.8027 4.8335 0.1594 0.1599 0.1660 3.3192 0.0328 3.3211 3.3414 3.3699 3.3121 3.3750 0.0348 0.0328 3.3608 3.3327 3.3218 0.0375 0.0423 0.0387 0.0377 0.0328 0.0291 0.0330 0.0305 0.0311 0.0287 0.0313 0.0302 0.0292 0.0309 0.0303 0.0333 0.0300 0.0351 0.0311 0.0316 0.0320 0.0318 0.0310 0.8162 0.0333 0.0301 0.0311 0.0315 0.0345 0.0345 0.0351 0.0340 0.0000 0.0000 0.0000 14.0293 0.0000 14.0291 14.0293 14.0285 14.0297 14.0285 0.0000 0.0000 14.0288 14.0295 14.0291 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 W O W W W W W O O 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 P O O O O O O O O H H H 2.512387 -0.886473 2.509865 2.496484 2.477307 2.513817 2.476323 -0.844004 -0.887893 2.483356 2.503183 2.509576 -1.028680 -0.797112 -1.040005 -1.028182 -0.823420 -0.977918 -0.859034 -0.967303 -0.626556 -0.981666 -0.624434 -0.968437 -0.975790 -0.651398 -0.960685 -0.851766 -0.967014 -0.837664 -0.962144 -0.977095 -0.967705 -0.964765 -0.968374 1.998574 -0.879543 -0.971740 -0.960000 -0.961657 -0.853941 -0.857493 -0.836895 -0.869446 0.048912 0.048192 0.038255 1.947700 -0.795662 1.945023 1.930805 1.933787 1.936713 1.933126 -0.750435 -0.797396 1.928539 1.929882 1.944400 -0.738863 -0.678373 -0.742801 -0.738768 -0.746020 -0.726636 -0.764810 -0.734435 -0.775267 -0.726848 -0.772148 -0.726404 -0.727198 -0.795115 -0.736333 -0.752244 -0.811375 -0.726776 -0.792160 -0.791814 -0.785055 -0.781846 -0.809752 1.579407 -0.786867 -0.813797 -0.770389 -0.787956 -0.752247 -0.765437 -0.725579 -0.777165 0.306165 0.307221 0.281202 2.079235 -0.772745 2.035933 2.032308 2.022730 2.041129 2.026219 -0.711281 -0.773732 2.036981 2.035742 2.035650 -0.816987 -0.685327 -0.821157 -0.800307 -0.794452 -0.813091 -0.781932 -0.808346 -0.818242 -0.822858 -0.813797 -0.818744 -0.810696 -0.818902 -0.809718 -0.768347 -0.842621 -0.703135 -0.835721 -0.855134 -0.827664 -0.821512 -0.835042 1.544330 -0.766715 -0.841704 -0.826975 -0.833453 -0.743910 -0.731250 -0.701766 -0.745076 0.372224 0.371809 0.338052 -17.56619052 0.72368466 -1.16579826 17.61970074 65.24710593 17.29008813 -1.89238874 -17.85162697 3.32368972 -47.39547896 -333.2436 354.2881 -21.2548 -359.2279 -44.7031 -404.1413 Mar13-2024 05:33:19 Nodes: 1 Procs: 1 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 0 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 Mar13-2024 05:33:20 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar13-2024 05:33:21 Nodes: 1 Procs: 1 Mar13-2024 05:33:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar13-2024 05:33:22 Nodes: 1 Procs: 1 Mar13-2024 05:33:23 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar13-2024 05:33:25 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -14.77269810 -14.82666109 -14.84393830 -14.84444708 -14.84762616 -14.84870000 -14.84982576 -14.85021081 -14.85128053 -14.85152804 -14.85173024 -14.85180286 -14.85183216 -14.85187226 -14.85189470 -14.85190914 -14.85192004 GEOMETRY CONVERGED