ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 03:56:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.00 0.41 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 03:56:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.57 0.04 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 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 0 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 Apr10-2024 03:56:06 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 03:56:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.04 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 0 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 Apr10-2024 03:56:06 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr10-2024 03:56:06 Nodes: 1 Procs: 1 Apr10-2024 03:56:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 03:56:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 0 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 Apr10-2024 03:56:06 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr10-2024 03:56:06 Nodes: 1 Procs: 1 Apr10-2024 03:56:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr10-2024 03:56:08 Nodes: 1 Procs: 1 Apr10-2024 03:56:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 03:56:09 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) 1.34 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 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 0 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 Apr10-2024 03:56:06 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr10-2024 03:56:06 Nodes: 1 Procs: 1 Apr10-2024 03:56:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr10-2024 03:56:08 Nodes: 1 Procs: 1 Apr10-2024 03:56:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr10-2024 03:56:09 Nodes: 1 Procs: 1 Apr10-2024 03:56:09 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr10-2024 03:56:11 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2413.490361000002 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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.Mo ADF 2019 Apr10-2024 03:56:07 1 1 Molybdenum TZP 3d t21.P ADF 2019 Apr10-2024 03:56:06 1 1 Phosphorus TZP 1s t21.W ADF 2019 Apr10-2024 03:56:09 1 1 Tungsten TZP 4d t21.O ADF 2019 Apr10-2024 03:56:08 1 1 Oxygen TZP 1s t21.H ADF 2019 Apr10-2024 03:56:05 1 1 Hydrogen TZP 1 1 -16.02570137 0.30240245 0.00100000 F 0.10650154 0.00066667 F 0.30240245 0.10650154 0.18340203 0.01000000 F 0.05720026 0.00666667 F Cartesian 2413.490361000002 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(-1/4)Del**2(Rho)) -0.1400876E-01 Diamond 0.1213612E-02 Metallicity 0.8077085E+00 Ellipticity -0.6202932E+00 Gb(Abramov) 0.1122501E-01 Vb(Abramov) -0.8441253E-02 Hb(Abramov) 0.2783755E-02 Ex_ueg -0.2100549E-02 Ec_ueg -0.4741645E-03 Delta_ex -0.2462596E-02 Delta_ec 0.1725584E-03 Delta_et -0.1722479E-02 Pxc 0.4429999E+01 Qxc -0.1427109E+02 3,+3 55 3 -1 -3.221945 3.152977 -0.076152 Rho 0.2380277E+00 |GRAD(Rho)| 0.1019348E-13 GRAD(Rho)x 0.8906721E-16 GRAD(Rho)y 0.8549043E-14 GRAD(Rho)z 0.5550939E-14 Laplacian 0.8672610E+00 (-1/4)Del**2(Rho)) -0.2168153E+00 Diamond 0.3035104E+01 Metallicity 0.7264001E+01 Ellipticity 0.7300916E-02 Gb(Abramov) 0.4070345E+00 Vb(Abramov) -0.5972538E+00 Hb(Abramov) -0.1902193E+00 Ex_ueg -0.1089486E+00 Ec_ueg -0.1430288E-01 Delta_ex -0.1045474E+00 Delta_ec 0.1918770E-01 Delta_et -0.2656289E+00 Pxc 0.7617250E+01 Qxc -0.5448666E+01 3,-1 56 3 -1 -0.224650 -1.283012 -3.495270 Rho 0.5863819E-02 |GRAD(Rho)| 0.1826138E-16 GRAD(Rho)x -0.1815335E-16 GRAD(Rho)y -0.1374470E-17 GRAD(Rho)z -0.1429950E-17 Laplacian 0.2361051E-01 (-1/4)Del**2(Rho)) -0.5902626E-02 Diamond 0.1055610E-02 Metallicity 0.5565132E+00 Ellipticity 0.1108503E+00 Gb(Abramov) 0.4482566E-02 Vb(Abramov) -0.3062505E-02 Hb(Abramov) 0.1420060E-02 Ex_ueg -0.7809547E-03 Ec_ueg -0.1842738E-03 Delta_ex -0.1491340E-02 Delta_ec 0.1244013E-02 Delta_et -0.6888534E-02 Pxc 0.4238013E+01 Qxc -0.1198814E+01 3,-1 57 3 -1 -3.003198 -1.987063 -0.870515 Rho 0.1556166E+00 |GRAD(Rho)| 0.1949226E-15 GRAD(Rho)x -0.1039885E-15 GRAD(Rho)y 0.2168404E-17 GRAD(Rho)z -0.1648529E-15 Laplacian 0.6147444E+00 (-1/4)Del**2(Rho)) -0.1536861E+00 Diamond 0.1307095E+01 Metallicity 0.5046748E+01 Ellipticity 0.6613296E-01 Gb(Abramov) 0.2317266E+00 Vb(Abramov) -0.3097670E+00 Hb(Abramov) -0.7804046E-01 Ex_ueg -0.6181959E-01 Ec_ueg -0.8804019E-02 Delta_ex -0.6666667E-01 Delta_ec 0.1554100E-01 Delta_et -0.2081269E+00 Pxc 0.7021747E+01 Qxc -0.4289729E+01 3,-1 58 3 -1 -2.778771 -1.771999 0.582319 Rho 0.1421109E+00 |GRAD(Rho)| 0.2944015E-15 GRAD(Rho)x 0.6432029E-16 GRAD(Rho)y -0.2225325E-15 GRAD(Rho)z -0.1816987E-15 Laplacian 0.5973235E+00 (-1/4)Del**2(Rho)) -0.1493309E+00 Diamond 0.1134999E+01 Metallicity 0.4464598E+01 Ellipticity 0.1467576E-01 Gb(Abramov) 0.2106710E+00 Vb(Abramov) -0.2720111E+00 Hb(Abramov) -0.6134010E-01 Ex_ueg -0.5477152E-01 Ec_ueg -0.7940424E-02 Delta_ex -0.6330989E-01 Delta_ec 0.1536980E-01 Delta_et -0.2030439E+00 Pxc 0.6897808E+01 Qxc -0.4119110E+01 3,-1 59 3 +1 -2.907143 -0.219638 -0.220983 Rho 0.5278413E-02 |GRAD(Rho)| 0.9369308E-17 GRAD(Rho)x 0.1418204E-17 GRAD(Rho)y -0.6455569E-17 GRAD(Rho)z 0.6640652E-17 Laplacian 0.2178186E-01 (-1/4)Del**2(Rho)) -0.5445464E-02 Diamond 0.4439444E-03 Metallicity 0.5062409E+00 Ellipticity -0.1646840E+01 Gb(Abramov) 0.4089762E-02 Vb(Abramov) -0.2734060E-02 Hb(Abramov) 0.1355702E-02 Ex_ueg -0.6787704E-03 Ec_ueg -0.1589137E-03 Delta_ex -0.1005944E-02 Delta_ec 0.5279629E-03 Delta_et -0.2977743E-02 Pxc 0.4271316E+01 Qxc -0.1905330E+01 3,+1 60 3 +1 -2.173810 -1.039250 -1.414980 Rho 0.2618296E-01 |GRAD(Rho)| 0.4089716E-14 GRAD(Rho)x -0.1501667E-14 GRAD(Rho)y 0.1666862E-14 GRAD(Rho)z -0.3419407E-14 Laplacian 0.1056727E+00 (-1/4)Del**2(Rho)) -0.2641819E-01 Diamond 0.1374749E-01 Metallicity 0.1505502E+01 Ellipticity -0.2596122E+01 Gb(Abramov) 0.2424090E-01 Vb(Abramov) -0.2206361E-01 Hb(Abramov) 0.2177290E-02 Ex_ueg -0.5742178E-02 Ec_ueg -0.1148457E-02 Delta_ex -0.6553808E-02 Delta_ec 0.1614201E-02 Delta_et -0.1444581E-01 Pxc 0.4999908E+01 Qxc -0.4060094E+01 3,+1 61 3 +1 -1.769430 -1.745816 1.815904 Rho 0.1238945E-01 |GRAD(Rho)| 0.1601326E-14 GRAD(Rho)x -0.1071170E-14 GRAD(Rho)y 0.1186283E-14 GRAD(Rho)z 0.9784358E-16 Laplacian 0.6213816E-01 (-1/4)Del**2(Rho)) -0.1553454E-01 Diamond 0.2572955E-02 Metallicity 0.7356563E+00 Ellipticity -0.1249063E+01 Gb(Abramov) 0.1226104E-01 Vb(Abramov) -0.8987541E-02 Hb(Abramov) 0.3273500E-02 Ex_ueg -0.2117327E-02 Ec_ueg -0.4775772E-03 Delta_ex -0.3072361E-02 Delta_ec 0.7924897E-03 Delta_et -0.5999502E-02 Pxc 0.4433475E+01 Qxc -0.3876847E+01 3,+1 62 3 +3 -2.373389 0.033114 0.045880 Rho 0.4818914E-02 |GRAD(Rho)| 0.2848736E-17 GRAD(Rho)x 0.2455532E-17 GRAD(Rho)y -0.1443893E-17 GRAD(Rho)z 0.2879328E-19 Laplacian 0.2017958E-01 (-1/4)Del**2(Rho)) -0.5044896E-02 Diamond 0.2004460E-03 Metallicity 0.4694791E+00 Ellipticity -0.3925287E+00 Gb(Abramov) 0.3758010E-02 Vb(Abramov) -0.2471123E-02 Hb(Abramov) 0.1286886E-02 Ex_ueg -0.6011516E-03 Ec_ueg -0.1391283E-03 Delta_ex -0.7549259E-03 Delta_ec 0.2046418E-03 Delta_et -0.1273978E-02 Pxc 0.4320844E+01 Qxc -0.3689012E+01 3,+3 63 3 -1 -1.750613 -1.668460 -0.483578 Rho 0.5242630E-01 |GRAD(Rho)| 0.8440628E-16 GRAD(Rho)x -0.6171101E-16 GRAD(Rho)y -0.3997741E-16 GRAD(Rho)z 0.4144850E-16 Laplacian 0.2103051E+00 (-1/4)Del**2(Rho)) -0.5257628E-01 Diamond 0.1142548E+00 Metallicity 0.2406275E+01 Ellipticity 0.1190605E-01 Gb(Abramov) 0.5613636E-01 Vb(Abramov) -0.5969643E-01 Hb(Abramov) -0.3560074E-02 Ex_ueg -0.1449163E-01 Ec_ueg -0.2549423E-02 Delta_ex -0.1754119E-01 Delta_ec 0.6303879E-02 Delta_et -0.6731053E-01 Pxc 0.5684279E+01 Qxc -0.2782603E+01 3,-1 64 3 +1 -0.611492 -1.703196 0.552878 Rho 0.8810004E-02 |GRAD(Rho)| 0.1488173E-16 GRAD(Rho)x -0.1047864E-16 GRAD(Rho)y -0.1019235E-16 GRAD(Rho)z -0.2789279E-17 Laplacian 0.3660838E-01 (-1/4)Del**2(Rho)) -0.9152095E-02 Diamond 0.1067945E-02 Metallicity 0.7073909E+00 Ellipticity -0.1444316E+01 Gb(Abramov) 0.7180415E-02 Vb(Abramov) -0.5208735E-02 Hb(Abramov) 0.1971680E-02 Ex_ueg -0.1343857E-02 Ec_ueg -0.3143860E-03 Delta_ex -0.1706888E-02 Delta_ec 0.5583777E-03 Delta_et -0.3805353E-02 Pxc 0.4274546E+01 Qxc -0.3056869E+01 3,+1 65 3 +3 -1.102256 -1.114304 1.179721 Rho 0.5021648E-02 |GRAD(Rho)| 0.2008197E-15 GRAD(Rho)x 0.1708484E-15 GRAD(Rho)y 0.7429384E-16 GRAD(Rho)z -0.7496517E-16 Laplacian 0.2075614E-01 (-1/4)Del**2(Rho)) -0.5189036E-02 Diamond 0.1554933E-03 Metallicity 0.4888890E+00 Ellipticity -0.1049161E+00 Gb(Abramov) 0.3882168E-02 Vb(Abramov) -0.2575300E-02 Hb(Abramov) 0.1306868E-02 Ex_ueg -0.6351067E-03 Ec_ueg -0.1478445E-03 Delta_ex -0.7269134E-03 Delta_ec 0.1073983E-03 Delta_et -0.8047426E-03 Pxc 0.4295775E+01 Qxc -0.6768387E+01 3,+3 66 3 +1 -1.703944 -0.497935 0.589667 Rho 0.9575117E-02 |GRAD(Rho)| 0.2938543E-13 GRAD(Rho)x 0.8869002E-14 GRAD(Rho)y 0.2718057E-13 GRAD(Rho)z -0.6786846E-14 Laplacian 0.4066337E-01 (-1/4)Del**2(Rho)) -0.1016584E-01 Diamond 0.1325556E-02 Metallicity 0.7316723E+00 Ellipticity -0.1450938E+01 Gb(Abramov) 0.8016906E-02 Vb(Abramov) -0.5867969E-02 Hb(Abramov) 0.2148937E-02 Ex_ueg -0.1501679E-02 Ec_ueg -0.3488180E-03 Delta_ex -0.1934756E-02 Delta_ec 0.6179801E-03 Delta_et -0.4305833E-02 Pxc 0.4305051E+01 Qxc -0.3130774E+01 3,+1 67 3 -1 0.037434 -3.341188 -1.200949 Rho 0.4393917E-01 |GRAD(Rho)| 0.1202842E-15 GRAD(Rho)x -0.1172172E-15 GRAD(Rho)y 0.7367071E-17 GRAD(Rho)z -0.2596448E-16 Laplacian 0.1221770E+00 (-1/4)Del**2(Rho)) -0.3054424E-01 Diamond 0.8517037E-01 Metallicity 0.3085864E+01 Ellipticity 0.7573366E-02 Gb(Abramov) 0.3607206E-01 Vb(Abramov) -0.4159988E-01 Hb(Abramov) -0.5527818E-02 Ex_ueg -0.1145128E-01 Ec_ueg -0.2082699E-02 Delta_ex -0.1143691E-01 Delta_ec 0.6680188E-02 Delta_et -0.6863182E-01 Pxc 0.5498290E+01 Qxc -0.1712064E+01 3,-1 68 3 +1 0.069625 -3.049203 0.177218 Rho 0.5154875E-02 |GRAD(Rho)| 0.7361954E-17 GRAD(Rho)x -0.5719166E-17 GRAD(Rho)y 0.1219727E-17 GRAD(Rho)z 0.4472334E-17 Laplacian 0.2108151E-01 (-1/4)Del**2(Rho)) -0.5270377E-02 Diamond 0.5044359E-03 Metallicity 0.5028152E+00 Ellipticity -0.2737211E+01 Gb(Abramov) 0.3955256E-02 Vb(Abramov) -0.2640134E-02 Hb(Abramov) 0.1315121E-02 Ex_ueg -0.6576718E-03 Ec_ueg -0.1535838E-03 Delta_ex -0.1047427E-02 Delta_ec 0.6514763E-03 Delta_et -0.3575595E-02 Pxc 0.4282170E+01 Qxc -0.1607775E+01 3,+1 69 3 +1 -0.288338 -1.005799 -2.571586 Rho 0.3130274E-02 |GRAD(Rho)| 0.5144355E-13 GRAD(Rho)x 0.4567566E-13 GRAD(Rho)y -0.1445075E-13 GRAD(Rho)z 0.1874429E-13 Laplacian 0.1252234E-01 (-1/4)Del**2(Rho)) -0.3130584E-02 Diamond 0.1135754E-03 Metallicity 0.3686083E+00 Ellipticity -0.1313704E+01 Gb(Abramov) 0.2279383E-02 Vb(Abramov) -0.1428181E-02 Hb(Abramov) 0.8512016E-03 Ex_ueg -0.3381907E-03 Ec_ueg -0.6736013E-04 Delta_ex -0.4975589E-03 Delta_ec 0.2638151E-03 Delta_et -0.1298070E-02 Pxc 0.5020635E+01 Qxc -0.1886013E+01 3,+1 70 3 +3 2.341964 -0.003997 0.014191 Rho 0.4032257E-02 |GRAD(Rho)| 0.2225461E-15 GRAD(Rho)x -0.1643013E-15 GRAD(Rho)y -0.1255267E-15 GRAD(Rho)z 0.8230954E-16 Laplacian 0.1683251E-01 (-1/4)Del**2(Rho)) -0.4208128E-02 Diamond 0.1346929E-03 Metallicity 0.4181941E+00 Ellipticity -0.2672146E+00 Gb(Abramov) 0.3098721E-02 Vb(Abramov) -0.1989314E-02 Hb(Abramov) 0.1109407E-02 Ex_ueg -0.4740046E-03 Ec_ueg -0.1055076E-03 Delta_ex -0.6063313E-03 Delta_ec 0.1781554E-03 Delta_et -0.1051722E-02 Pxc 0.4492613E+01 Qxc -0.3403385E+01 3,+3 71 3 +1 -1.279799 2.104488 1.097514 Rho 0.2539279E-01 |GRAD(Rho)| 0.3990516E-16 GRAD(Rho)x -0.1882605E-17 GRAD(Rho)y 0.3580148E-16 GRAD(Rho)z 0.1752516E-16 Laplacian 0.1005088E+00 (-1/4)Del**2(Rho)) -0.2512721E-01 Diamond 0.1396832E-01 Metallicity 0.1504041E+01 Ellipticity -0.4557070E+01 Gb(Abramov) 0.2305020E-01 Vb(Abramov) -0.2097319E-01 Hb(Abramov) 0.2077011E-02 Ex_ueg -0.5512294E-02 Ec_ueg -0.1108511E-02 Delta_ex -0.6334396E-02 Delta_ec 0.1807675E-02 Delta_et -0.1599502E-01 Pxc 0.4972701E+01 Qxc -0.3504168E+01 3,+1 72 3 +3 -0.205464 -0.469235 -2.581220 Rho 0.2898053E-02 |GRAD(Rho)| 0.3998173E-17 GRAD(Rho)x -0.2897174E-17 GRAD(Rho)y -0.2272113E-17 GRAD(Rho)z 0.1558613E-17 Laplacian 0.1162122E-01 (-1/4)Del**2(Rho)) -0.2905305E-02 Diamond 0.7582349E-04 Metallicity 0.3493055E+00 Ellipticity -0.7229836E+00 Gb(Abramov) 0.2106010E-02 Vb(Abramov) -0.1306714E-02 Hb(Abramov) 0.7992951E-03 Ex_ueg -0.3051595E-03 Ec_ueg -0.5761013E-04 Delta_ex -0.4176228E-03 Delta_ec 0.1789214E-03 Delta_et -0.9017464E-03 Pxc 0.5296975E+01 Qxc -0.2334113E+01 3,+3 73 3 -1 0.458986 -1.741241 1.688133 Rho 0.3605542E-01 |GRAD(Rho)| 0.1036216E-15 GRAD(Rho)x 0.3468923E-16 GRAD(Rho)y 0.4136348E-16 GRAD(Rho)z -0.8844866E-16 Laplacian 0.1474783E+00 (-1/4)Del**2(Rho)) -0.3686957E-01 Diamond 0.4903263E-01 Metallicity 0.1838666E+01 Ellipticity 0.9662008E-02 Gb(Abramov) 0.3587818E-01 Vb(Abramov) -0.3488680E-01 Hb(Abramov) 0.9913878E-03 Ex_ueg -0.8797229E-02 Ec_ueg -0.1659979E-02 Delta_ex -0.1126444E-01 Delta_ec 0.4535165E-02 Delta_et -0.4382617E-01 Pxc 0.5299603E+01 Qxc -0.2483799E+01 3,-1 74 3 +1 -0.548362 -0.575021 1.708695 Rho 0.8068512E-02 |GRAD(Rho)| 0.8077937E-17 GRAD(Rho)x -0.4567506E-17 GRAD(Rho)y 0.2992369E-17 GRAD(Rho)z 0.5952871E-17 Laplacian 0.3331648E-01 (-1/4)Del**2(Rho)) -0.8329120E-02 Diamond 0.8663619E-03 Metallicity 0.6713410E+00 Ellipticity -0.1419969E+01 Gb(Abramov) 0.6484693E-02 Vb(Abramov) -0.4640266E-02 Hb(Abramov) 0.1844427E-02 Ex_ueg -0.1195207E-02 Ec_ueg -0.2812630E-03 Delta_ex -0.1521744E-02 Delta_ec 0.5117188E-03 Delta_et -0.3405044E-02 Pxc 0.4249428E+01 Qxc -0.2973790E+01 3,+1 75 3 +1 -0.241895 -0.382140 -3.178815 Rho 0.3355929E-02 |GRAD(Rho)| 0.3918695E-12 GRAD(Rho)x 0.3828413E-12 GRAD(Rho)y -0.7828354E-13 GRAD(Rho)z 0.2942627E-13 Laplacian 0.1343096E-01 (-1/4)Del**2(Rho)) -0.3357740E-02 Diamond 0.1604944E-03 Metallicity 0.3859468E+00 Ellipticity -0.1580304E+01 Gb(Abramov) 0.2454478E-02 Vb(Abramov) -0.1551216E-02 Hb(Abramov) 0.9032618E-03 Ex_ueg -0.3710810E-03 Ec_ueg -0.7686265E-04 Delta_ex -0.5836268E-03 Delta_ec 0.3583766E-03 Delta_et -0.1752559E-02 Pxc 0.4827846E+01 Qxc -0.1628529E+01 3,+1 76 3 +1 1.671378 0.516771 0.530875 Rho 0.7543203E-02 |GRAD(Rho)| 0.4836793E-17 GRAD(Rho)x -0.5774176E-18 GRAD(Rho)y 0.4777470E-17 GRAD(Rho)z 0.4867618E-18 Laplacian 0.3074707E-01 (-1/4)Del**2(Rho)) -0.7686768E-02 Diamond 0.7432124E-03 Metallicity 0.6502331E+00 Ellipticity -0.1428805E+01 Gb(Abramov) 0.5957544E-02 Vb(Abramov) -0.4228320E-02 Hb(Abramov) 0.1729224E-02 Ex_ueg -0.1092596E-02 Ec_ueg -0.2579471E-03 Delta_ex -0.1388531E-02 Delta_ec 0.4852770E-03 Delta_et -0.3162102E-02 Pxc 0.4235735E+01 Qxc -0.2861316E+01 3,+1 77 3 +1 0.542207 0.467442 1.679367 Rho 0.8340480E-02 |GRAD(Rho)| 0.8584523E-16 GRAD(Rho)x 0.2731976E-16 GRAD(Rho)y -0.7139539E-16 GRAD(Rho)z -0.3906063E-16 Laplacian 0.3487831E-01 (-1/4)Del**2(Rho)) -0.8719578E-02 Diamond 0.9366238E-03 Metallicity 0.6777082E+00 Ellipticity -0.1407145E+01 Gb(Abramov) 0.6797940E-02 Vb(Abramov) -0.4876303E-02 Hb(Abramov) 0.1921638E-02 Ex_ueg -0.1249222E-02 Ec_ueg -0.2933835E-03 Delta_ex -0.1600516E-02 Delta_ec 0.5254914E-03 Delta_et -0.3535046E-02 Pxc 0.4257985E+01 Qxc -0.3045751E+01 3,+1 78 3 -1 -0.453049 -0.401962 -0.379453 Rho 0.2082548E+00 |GRAD(Rho)| 0.4045775E-15 GRAD(Rho)x 0.2576958E-15 GRAD(Rho)y 0.2433516E-15 GRAD(Rho)z 0.1950789E-15 Laplacian 0.7784634E+00 (-1/4)Del**2(Rho)) -0.1946159E+00 Diamond 0.2554491E+01 Metallicity 0.6476893E+01 Ellipticity 0.3581653E-01 Gb(Abramov) 0.3398282E+00 Vb(Abramov) -0.4850406E+00 Hb(Abramov) -0.1452124E+00 Ex_ueg -0.9116856E-01 Ec_ueg -0.1227233E-01 Delta_ex -0.9216054E-01 Delta_ec 0.2059070E-01 Delta_et -0.2929514E+00 Pxc 0.7428790E+01 Qxc -0.4475833E+01 3,-1 79 3 +1 0.098738 -0.134524 2.983218 Rho 0.5365711E-02 |GRAD(Rho)| 0.2485021E-14 GRAD(Rho)x 0.1801723E-14 GRAD(Rho)y -0.1681642E-14 GRAD(Rho)z 0.3181307E-15 Laplacian 0.2218342E-01 (-1/4)Del**2(Rho)) -0.5545855E-02 Diamond 0.5687438E-03 Metallicity 0.5108540E+00 Ellipticity -0.3052735E+01 Gb(Abramov) 0.4169424E-02 Vb(Abramov) -0.2792992E-02 Hb(Abramov) 0.1376431E-02 Ex_ueg -0.6937794E-03 Ec_ueg -0.1626846E-03 Delta_ex -0.1118072E-02 Delta_ec 0.6984142E-03 Delta_et -0.3874232E-02 Pxc 0.4264567E+01 Qxc -0.1600873E+01 3,+1 80 3 +3 0.052595 2.299208 -0.030574 Rho 0.4308995E-02 |GRAD(Rho)| 0.4804888E-15 GRAD(Rho)x 0.1754187E-16 GRAD(Rho)y -0.2699677E-15 GRAD(Rho)z -0.3970884E-15 Laplacian 0.1788376E-01 (-1/4)Del**2(Rho)) -0.4470940E-02 Diamond 0.1403976E-03 Metallicity 0.4396572E+00 Ellipticity -0.3306553E+00 Gb(Abramov) 0.3308240E-02 Vb(Abramov) -0.2145540E-02 Hb(Abramov) 0.1162700E-02 Ex_ueg -0.5178687E-03 Ec_ueg -0.1172983E-03 Delta_ex -0.6365914E-03 Delta_ec 0.1566058E-03 Delta_et -0.9799058E-03 Pxc 0.4414972E+01 Qxc -0.4064930E+01 3,+3 81 3 -1 0.312475 0.301786 -0.404051 Rho 0.1989734E+00 |GRAD(Rho)| 0.2379939E-15 GRAD(Rho)x -0.1707757E-15 GRAD(Rho)y -0.8003536E-16 GRAD(Rho)z 0.1451590E-15 Laplacian 0.6771825E+00 (-1/4)Del**2(Rho)) -0.1692956E+00 Diamond 0.2139611E+01 Metallicity 0.6900797E+01 Ellipticity 0.4912797E-02 Gb(Abramov) 0.3075762E+00 Vb(Abramov) -0.4458568E+00 Hb(Abramov) -0.1382806E+00 Ex_ueg -0.8579168E-01 Ec_ueg -0.1164935E-01 Delta_ex -0.7950817E-01 Delta_ec 0.1856226E-01 Delta_et -0.2639741E+00 Pxc 0.7364506E+01 Qxc -0.4283324E+01 3,-1 82 3 +1 -0.617879 0.491205 -1.702987 Rho 0.8436941E-02 |GRAD(Rho)| 0.2329827E-16 GRAD(Rho)x -0.1391970E-16 GRAD(Rho)y -0.1719696E-16 GRAD(Rho)z 0.7301752E-17 Laplacian 0.3550113E-01 (-1/4)Del**2(Rho)) -0.8875283E-02 Diamond 0.1021118E-02 Metallicity 0.6787023E+00 Ellipticity -0.1462931E+01 Gb(Abramov) 0.6920801E-02 Vb(Abramov) -0.4966320E-02 Hb(Abramov) 0.1954482E-02 Ex_ueg -0.1268523E-02 Ec_ueg -0.2976903E-03 Delta_ex -0.1658151E-02 Delta_ec 0.5783921E-03 Delta_et -0.3869443E-02 Pxc 0.4261217E+01 Qxc -0.2866829E+01 3,+1 83 3 +3 1.103045 1.078077 1.060738 Rho 0.4548908E-02 |GRAD(Rho)| 0.2780672E-14 GRAD(Rho)x -0.2086291E-14 GRAD(Rho)y -0.1249732E-14 GRAD(Rho)z -0.1348219E-14 Laplacian 0.1866236E-01 (-1/4)Del**2(Rho)) -0.4665591E-02 Diamond 0.1273034E-03 Metallicity 0.4611318E+00 Ellipticity -0.1248478E+00 Gb(Abramov) 0.3468969E-02 Vb(Abramov) -0.2272348E-02 Hb(Abramov) 0.1196622E-02 Ex_ueg -0.5566658E-03 Ec_ueg -0.1275524E-03 Delta_ex -0.6415981E-03 Delta_ec 0.1062744E-03 Delta_et -0.7574248E-03 Pxc 0.4364213E+01 Qxc -0.6037185E+01 3,+3 84 3 +1 0.568746 1.674422 0.486375 Rho 0.7781676E-02 |GRAD(Rho)| 0.8418682E-16 GRAD(Rho)x 0.5380868E-16 GRAD(Rho)y 0.4462785E-17 GRAD(Rho)z -0.6459202E-16 Laplacian 0.3204487E-01 (-1/4)Del**2(Rho)) -0.8011217E-02 Diamond 0.7951279E-03 Metallicity 0.6571178E+00 Ellipticity -0.1412896E+01 Gb(Abramov) 0.6218197E-02 Vb(Abramov) -0.4425177E-02 Hb(Abramov) 0.1793020E-02 Ex_ueg -0.1138892E-02 Ec_ueg -0.2685161E-03 Delta_ex -0.1451576E-02 Delta_ec 0.4938911E-03 Delta_et -0.3253850E-02 Pxc 0.4241429E+01 Qxc -0.2939060E+01 3,+1 85 3 +1 -2.010771 2.008353 2.041890 Rho 0.1272833E-01 |GRAD(Rho)| 0.2110789E-16 GRAD(Rho)x 0.5173841E-17 GRAD(Rho)y 0.1583712E-16 GRAD(Rho)z -0.1295993E-16 Laplacian 0.5998550E-01 (-1/4)Del**2(Rho)) -0.1499637E-01 Diamond 0.2171204E-02 Metallicity 0.7971118E+00 Ellipticity -0.1174984E+01 Gb(Abramov) 0.1198988E-01 Vb(Abramov) -0.8983387E-02 Hb(Abramov) 0.3006494E-02 Ex_ueg -0.2194894E-02 Ec_ueg -0.4932948E-03 Delta_ex -0.2878687E-02 Delta_ec 0.5712220E-03 Delta_et -0.4499405E-02 Pxc 0.4449458E+01 Qxc -0.5039525E+01 3,+1 86 3 +1 0.117548 2.965895 -0.094043 Rho 0.5260801E-02 |GRAD(Rho)| 0.7866216E-17 GRAD(Rho)x -0.6158624E-17 GRAD(Rho)y 0.1259664E-17 GRAD(Rho)z -0.4728843E-17 Laplacian 0.2169243E-01 (-1/4)Del**2(Rho)) -0.5423107E-02 Diamond 0.5538460E-03 Metallicity 0.5055043E+00 Ellipticity -0.3435726E+01 Gb(Abramov) 0.4072305E-02 Vb(Abramov) -0.2721503E-02 Hb(Abramov) 0.1350802E-02 Ex_ueg -0.6757523E-03 Ec_ueg -0.1581533E-03 Delta_ex -0.1099772E-02 Delta_ec 0.7019559E-03 Delta_et -0.3863249E-02 Pxc 0.4272767E+01 Qxc -0.1566725E+01 3,+1 87 3 +3 0.015474 -0.067490 2.319493 Rho 0.4410570E-02 |GRAD(Rho)| 0.1007199E-17 GRAD(Rho)x 0.3416394E-18 GRAD(Rho)y -0.9175360E-18 GRAD(Rho)z -0.2363487E-18 Laplacian 0.1829273E-01 (-1/4)Del**2(Rho)) -0.4573182E-02 Diamond 0.1469464E-03 Metallicity 0.4468474E+00 Ellipticity -0.3395175E+00 Gb(Abramov) 0.3389374E-02 Vb(Abramov) -0.2205566E-02 Hb(Abramov) 0.1183808E-02 Ex_ueg -0.5342092E-03 Ec_ueg -0.1216361E-03 Delta_ex -0.6536485E-03 Delta_ec 0.1576877E-03 Delta_et -0.9958219E-03 Pxc 0.4391865E+01 Qxc -0.4145210E+01 3,+3 88 3 +1 1.090020 -1.257498 2.118506 Rho 0.2254349E-01 |GRAD(Rho)| 0.3175224E-16 GRAD(Rho)x 0.1179078E-16 GRAD(Rho)y 0.4913970E-17 GRAD(Rho)z 0.2906949E-16 Laplacian 0.8778029E-01 (-1/4)Del**2(Rho)) -0.2194507E-01 Diamond 0.1067885E-01 Metallicity 0.1412271E+01 Ellipticity -0.4818578E+01 Gb(Abramov) 0.1979545E-01 Vb(Abramov) -0.1764582E-01 Hb(Abramov) 0.2149625E-02 Ex_ueg -0.4703415E-02 Ec_ueg -0.9658462E-03 Delta_ex -0.5401108E-02 Delta_ec 0.1650076E-02 Delta_et -0.1415051E-01 Pxc 0.4869735E+01 Qxc -0.3273247E+01 3,+1 89 3 +1 1.236891 1.079901 -2.142551 Rho 0.2490099E-01 |GRAD(Rho)| 0.3989644E-15 GRAD(Rho)x -0.2491911E-15 GRAD(Rho)y 0.3097503E-15 GRAD(Rho)z 0.3363264E-16 Laplacian 0.1005114E+00 (-1/4)Del**2(Rho)) -0.2512785E-01 Diamond 0.1467865E-01 Metallicity 0.1455768E+01 Ellipticity -0.8578129E+01 Gb(Abramov) 0.2284862E-01 Vb(Abramov) -0.2056939E-01 Hb(Abramov) 0.2279228E-02 Ex_ueg -0.5370408E-02 Ec_ueg -0.1083731E-02 Delta_ex -0.6419824E-02 Delta_ec 0.2018371E-02 Delta_et -0.1772583E-01 Pxc 0.4955482E+01 Qxc -0.3180696E+01 3,+1 90 3 -1 1.694147 1.640168 -0.532541 Rho 0.3303777E-01 |GRAD(Rho)| 0.1546127E-13 GRAD(Rho)x 0.1062779E-13 GRAD(Rho)y 0.1019214E-13 GRAD(Rho)z 0.4713956E-14 Laplacian 0.1257287E+00 (-1/4)Del**2(Rho)) -0.3143218E-01 Diamond 0.3500568E-01 Metallicity 0.1864360E+01 Ellipticity 0.3873321E-01 Gb(Abramov) 0.3072161E-01 Vb(Abramov) -0.3001103E-01 Hb(Abramov) 0.7105766E-03 Ex_ueg -0.7829476E-02 Ec_ueg -0.1501337E-02 Delta_ex -0.9242887E-02 Delta_ec 0.3585575E-02 Delta_et -0.3382393E-01 Pxc 0.5215002E+01 Qxc -0.2577798E+01 3,-1 91 3 +1 1.749356 1.764986 1.774392 Rho 0.1248790E-01 |GRAD(Rho)| 0.2677353E-16 GRAD(Rho)x 0.1424083E-16 GRAD(Rho)y 0.7961624E-17 GRAD(Rho)z -0.2122812E-16 Laplacian 0.6246592E-01 (-1/4)Del**2(Rho)) -0.1561648E-01 Diamond 0.2604021E-02 Metallicity 0.7415135E+00 Ellipticity -0.1254770E+01 Gb(Abramov) 0.1234096E-01 Vb(Abramov) -0.9065437E-02 Hb(Abramov) 0.3275522E-02 Ex_ueg -0.2139789E-02 Ec_ueg -0.4821388E-03 Delta_ex -0.3092109E-02 Delta_ec 0.7914064E-03 Delta_et -0.6006828E-02 Pxc 0.4438118E+01 Qxc -0.3907106E+01 3,+1 92 3 -1 0.848511 1.990950 -2.956358 Rho 0.1402770E+00 |GRAD(Rho)| 0.2618108E-12 GRAD(Rho)x -0.1954695E-12 GRAD(Rho)y 0.1582908E-12 GRAD(Rho)z 0.7266773E-13 Laplacian 0.5595649E+00 (-1/4)Del**2(Rho)) -0.1398912E+00 Diamond 0.1030444E+01 Metallicity 0.4663805E+01 Ellipticity 0.7125882E-01 Gb(Abramov) 0.2019984E+00 Vb(Abramov) -0.2641055E+00 Hb(Abramov) -0.6210715E-01 Ex_ueg -0.5383117E-01 Ec_ueg -0.7824040E-02 Delta_ex -0.5894231E-01 Delta_ec 0.1412601E-01 Delta_et -0.1855867E+00 Pxc 0.6880228E+01 Qxc -0.4172610E+01 3,-1 93 3 +3 1.819257 1.795301 -1.810844 Rho 0.1162538E-01 |GRAD(Rho)| 0.4456726E-16 GRAD(Rho)x -0.2455441E-16 GRAD(Rho)y -0.1859286E-16 GRAD(Rho)z 0.3221223E-16 Laplacian 0.5263208E-01 (-1/4)Del**2(Rho)) -0.1315802E-01 Diamond 0.1058471E-02 Metallicity 0.7811025E+00 Ellipticity -0.4774759E+00 Gb(Abramov) 0.1048497E-01 Vb(Abramov) -0.7811928E-02 Hb(Abramov) 0.2673046E-02 Ex_ueg -0.1945038E-02 Ec_ueg -0.4423031E-03 Delta_ex -0.2275942E-02 Delta_ec 0.1660540E-03 Delta_et -0.1639467E-02 Pxc 0.4397523E+01 Qxc -0.1370604E+02 3,+3 94 3 +1 1.187472 2.078289 -1.159563 Rho 0.2258149E-01 |GRAD(Rho)| 0.4552084E-16 GRAD(Rho)x -0.1123899E-16 GRAD(Rho)y -0.4389154E-16 GRAD(Rho)z 0.4400493E-17 Laplacian 0.8794134E-01 (-1/4)Del**2(Rho)) -0.2198534E-01 Diamond 0.1090967E-01 Metallicity 0.1413647E+01 Ellipticity -0.5691726E+01 Gb(Abramov) 0.1983681E-01 Vb(Abramov) -0.1768828E-01 Hb(Abramov) 0.2148527E-02 Ex_ueg -0.4713989E-02 Ec_ueg -0.9677341E-03 Delta_ex -0.5436589E-02 Delta_ec 0.1694516E-02 Delta_et -0.1452667E-01 Pxc 0.4871161E+01 Qxc -0.3208344E+01 3,+1 95 3 -1 2.712612 -1.859349 -0.621094 Rho 0.1444558E+00 |GRAD(Rho)| 0.2596170E-15 GRAD(Rho)x 0.9987535E-16 GRAD(Rho)y 0.2248906E-15 GRAD(Rho)z -0.8276528E-16 Laplacian 0.5963235E+00 (-1/4)Del**2(Rho)) -0.1490809E+00 Diamond 0.1160791E+01 Metallicity 0.4595746E+01 Ellipticity 0.7839993E-02 Gb(Abramov) 0.2135769E+00 Vb(Abramov) -0.2780729E+00 Hb(Abramov) -0.6449600E-01 Ex_ueg -0.5597982E-01 Ec_ueg -0.8089552E-02 Delta_ex -0.6351150E-01 Delta_ec 0.1537983E-01 Delta_et -0.2038778E+00 Pxc 0.6920015E+01 Qxc -0.4129533E+01 3,-1 96 3 -1 2.886419 -2.016739 0.806325 Rho 0.9526595E-01 |GRAD(Rho)| 0.7244785E-13 GRAD(Rho)x -0.2206376E-13 GRAD(Rho)y -0.4299298E-13 GRAD(Rho)z -0.5397671E-13 Laplacian 0.3828458E+00 (-1/4)Del**2(Rho)) -0.9571146E-01 Diamond 0.4471868E+00 Metallicity 0.3576724E+01 Ellipticity 0.4226639E-03 Gb(Abramov) 0.1208632E+00 Vb(Abramov) -0.1460150E+00 Hb(Abramov) -0.2515176E-01 Ex_ueg -0.3213429E-01 Ec_ueg -0.5039184E-02 Delta_ex -0.3685714E-01 Delta_ec 0.1072778E-01 Delta_et -0.1318955E+00 Pxc 0.6376884E+01 Qxc -0.3435671E+01 3,-1 97 3 +1 1.525261 -2.008128 -1.994542 Rho 0.6736691E-02 |GRAD(Rho)| 0.6757754E-17 GRAD(Rho)x -0.4385513E-17 GRAD(Rho)y -0.5002577E-17 GRAD(Rho)z 0.1186905E-17 Laplacian 0.2961199E-01 (-1/4)Del**2(Rho)) -0.7402998E-02 Diamond 0.9586180E-03 Metallicity 0.5591864E+00 Ellipticity -0.2239278E+01 Gb(Abramov) 0.5625275E-02 Vb(Abramov) -0.3847551E-02 Hb(Abramov) 0.1777723E-02 Ex_ueg -0.9396813E-03 Ec_ueg -0.2223986E-03 Delta_ex -0.1516052E-02 Delta_ec 0.8513744E-03 Delta_et -0.5086660E-02 Pxc 0.4225212E+01 Qxc -0.1780712E+01 3,+1 98 3 +1 2.930228 0.020823 -0.009678 Rho 0.4643077E-02 |GRAD(Rho)| 0.4654503E-17 GRAD(Rho)x 0.3532632E-18 GRAD(Rho)y 0.3146728E-17 GRAD(Rho)z 0.3411409E-17 Laplacian 0.1881963E-01 (-1/4)Del**2(Rho)) -0.4704906E-02 Diamond 0.4372256E-03 Metallicity 0.4731643E+00 Ellipticity -0.7535487E+01 Gb(Abramov) 0.3507636E-02 Vb(Abramov) -0.2310367E-02 Hb(Abramov) 0.1197270E-02 Ex_ueg -0.5720837E-03 Ec_ueg -0.1315854E-03 Delta_ex -0.9634190E-03 Delta_ec 0.6656852E-03 Delta_et -0.3505886E-02 Pxc 0.4347622E+01 Qxc -0.1447259E+01 3,+1 99 3 +1 2.072884 -1.348014 1.042587 Rho 0.2460534E-01 |GRAD(Rho)| 0.5321435E-16 GRAD(Rho)x 0.4655610E-16 GRAD(Rho)y -0.1782917E-17 GRAD(Rho)z 0.2571223E-16 Laplacian 0.9694742E-01 (-1/4)Del**2(Rho)) -0.2423685E-01 Diamond 0.1276487E-01 Metallicity 0.1479537E+01 Ellipticity -0.3991650E+01 Gb(Abramov) 0.2213446E-01 Vb(Abramov) -0.2003206E-01 Hb(Abramov) 0.2102398E-02 Ex_ueg -0.5285558E-02 Ec_ueg -0.1068864E-02 Delta_ex -0.6043975E-02 Delta_ec 0.1716415E-02 Delta_et -0.1507486E-01 Pxc 0.4945023E+01 Qxc -0.3521277E+01 3,+1 100 3 -1 2.943039 -0.862210 1.990058 Rho 0.1732135E+00 |GRAD(Rho)| 0.3804232E-15 GRAD(Rho)x 0.2300677E-15 GRAD(Rho)y -0.2159731E-15 GRAD(Rho)z -0.2124765E-15 Laplacian 0.6808526E+00 (-1/4)Del**2(Rho)) -0.1702131E+00 Diamond 0.1634684E+01 Metallicity 0.5447490E+01 Ellipticity 0.4918445E-01 Gb(Abramov) 0.2680145E+00 Vb(Abramov) -0.3658159E+00 Hb(Abramov) -0.9780136E-01 Ex_ueg -0.7131171E-01 Ec_ueg -0.9945723E-02 Delta_ex -0.7573111E-01 Delta_ec 0.1657657E-01 Delta_et -0.2244890E+00 Pxc 0.7170088E+01 Qxc -0.4568563E+01 3,-1 101 3 -1 1.661792 -0.538958 1.667311 Rho 0.3596083E-01 |GRAD(Rho)| 0.2341777E-16 GRAD(Rho)x 0.1004856E-16 GRAD(Rho)y 0.1485823E-16 GRAD(Rho)z 0.1505495E-16 Laplacian 0.1385651E+00 (-1/4)Del**2(Rho)) -0.3464127E-01 Diamond 0.4361891E-01 Metallicity 0.1948389E+01 Ellipticity 0.5199400E-01 Gb(Abramov) 0.3434329E-01 Vb(Abramov) -0.3404531E-01 Hb(Abramov) 0.2979811E-03 Ex_ueg -0.8766469E-02 Ec_ueg -0.1654978E-02 Delta_ex -0.1042395E-01 Delta_ec 0.3988130E-02 Delta_et -0.3849946E-01 Pxc 0.5297031E+01 Qxc -0.2613744E+01 3,-1 102 3 -1 3.207481 -0.109681 -3.222746 Rho 0.2336726E+00 |GRAD(Rho)| 0.1903649E-14 GRAD(Rho)x 0.1487417E-14 GRAD(Rho)y -0.1179409E-14 GRAD(Rho)z 0.1430605E-15 Laplacian 0.8521146E+00 (-1/4)Del**2(Rho)) -0.2130287E+00 Diamond 0.2923881E+01 Metallicity 0.7169048E+01 Ellipticity 0.1772662E-01 Gb(Abramov) 0.3965545E+00 Vb(Abramov) -0.5800804E+00 Hb(Abramov) -0.1835259E+00 Ex_ueg -0.1062989E+00 Ec_ueg -0.1400282E-01 Delta_ex -0.1022686E+00 Delta_ec 0.1902743E-01 Delta_et -0.2635320E+00 Pxc 0.7591252E+01 Qxc -0.5374798E+01 3,-1 103 3 -1 -2.969115 -0.930412 -2.071852 Rho 0.1201763E+00 |GRAD(Rho)| 0.5487410E-12 GRAD(Rho)x 0.2273289E-12 GRAD(Rho)y 0.3926319E-12 GRAD(Rho)z -0.3086722E-12 Laplacian 0.4591052E+00 (-1/4)Del**2(Rho)) -0.1147763E+00 Diamond 0.7199197E+00 Metallicity 0.4392711E+01 Ellipticity 0.2760406E-01 Gb(Abramov) 0.1605474E+00 Vb(Abramov) -0.2063185E+00 Hb(Abramov) -0.4577108E-01 Ex_ueg -0.4380030E-01 Ec_ueg -0.6562706E-02 Delta_ex -0.4682162E-01 Delta_ec 0.1245713E-01 Delta_et -0.1604342E+00 Pxc 0.6674121E+01 Qxc -0.3758619E+01 3,-1 104 3 +3 -0.092925 -2.377700 -0.093885 Rho 0.4026422E-02 |GRAD(Rho)| 0.2447057E-17 GRAD(Rho)x -0.9012431E-18 GRAD(Rho)y 0.8402567E-18 GRAD(Rho)z -0.2114194E-17 Laplacian 0.1665370E-01 (-1/4)Del**2(Rho)) -0.4163425E-02 Diamond 0.1113792E-03 Metallicity 0.4216654E+00 Ellipticity -0.2880950E+00 Gb(Abramov) 0.3068212E-02 Vb(Abramov) -0.1972999E-02 Hb(Abramov) 0.1095213E-02 Ex_ueg -0.4730904E-03 Ec_ueg -0.1052594E-03 Delta_ex -0.5728772E-03 Delta_ec 0.1284166E-03 Delta_et -0.8164182E-03 Pxc 0.4494519E+01 Qxc -0.4461083E+01 3,+3 105 3 -1 -2.758620 -0.548080 1.843494 Rho 0.1372742E+00 |GRAD(Rho)| 0.1412782E-15 GRAD(Rho)x -0.5646660E-16 GRAD(Rho)y -0.8662775E-16 GRAD(Rho)z -0.9626360E-16 Laplacian 0.5728278E+00 (-1/4)Del**2(Rho)) -0.1432070E+00 Diamond 0.1047397E+01 Metallicity 0.4394445E+01 Ellipticity 0.1127498E-01 Gb(Abramov) 0.2003572E+00 Vb(Abramov) -0.2575074E+00 Hb(Abramov) -0.5715020E-01 Ex_ueg -0.5230024E-01 Ec_ueg -0.7633926E-02 Delta_ex -0.6024088E-01 Delta_ec 0.1493011E-01 Delta_et -0.1963386E+00 Pxc 0.6851028E+01 Qxc -0.4034859E+01 3,-1 106 3 -1 -2.767507 0.494392 -1.864695 Rho 0.7037832E-01 |GRAD(Rho)| 0.4584148E-12 GRAD(Rho)x 0.2576262E-12 GRAD(Rho)y -0.2455454E-12 GRAD(Rho)z -0.2889297E-12 Laplacian 0.2991610E+00 (-1/4)Del**2(Rho)) -0.7479024E-01 Diamond 0.2437507E+00 Metallicity 0.2763375E+01 Ellipticity 0.5592191E-02 Gb(Abramov) 0.8430574E-01 Vb(Abramov) -0.9382123E-01 Hb(Abramov) -0.9515495E-02 Ex_ueg -0.2146036E-01 Ec_ueg -0.3568961E-02 Delta_ex -0.2693158E-01 Delta_ec 0.9006079E-02 Delta_et -0.1036376E+00 Pxc 0.6013055E+01 Qxc -0.2990378E+01 3,-1 107 3 +1 -2.116846 1.200161 1.187980 Rho 0.2467369E-01 |GRAD(Rho)| 0.7243562E-16 GRAD(Rho)x 0.6965962E-16 GRAD(Rho)y -0.4847293E-17 GRAD(Rho)z -0.1926034E-16 Laplacian 0.9654834E-01 (-1/4)Del**2(Rho)) -0.2413708E-01 Diamond 0.1307766E-01 Metallicity 0.1492537E+01 Ellipticity -0.5086026E+01 Gb(Abramov) 0.2209564E-01 Vb(Abramov) -0.2005419E-01 Hb(Abramov) 0.2041446E-02 Ex_ueg -0.5305143E-02 Ec_ueg -0.1072299E-02 Delta_ex -0.6058531E-02 Delta_ec 0.1771854E-02 Delta_et -0.1555806E-01 Pxc 0.4947449E+01 Qxc -0.3419318E+01 3,+1 108 3 -1 -3.177601 -0.044382 3.246139 Rho 0.2420833E+00 |GRAD(Rho)| 0.6798920E-08 GRAD(Rho)x -0.4774657E-08 GRAD(Rho)y -0.1182401E-08 GRAD(Rho)z 0.4693602E-08 Laplacian 0.8798580E+00 (-1/4)Del**2(Rho)) -0.2199645E+00 Diamond 0.3144185E+01 Metallicity 0.7364478E+01 Ellipticity 0.1539492E-02 Gb(Abramov) 0.4166303E+00 Vb(Abramov) -0.6132961E+00 Hb(Abramov) -0.1966658E+00 Ex_ueg -0.1114307E+00 Ec_ueg -0.1458325E-01 Delta_ex -0.1065442E+00 Delta_ec 0.1938542E-01 Delta_et -0.2685912E+00 Pxc 0.7641008E+01 Qxc -0.5496102E+01 3,-1 109 3 -1 -2.100708 -0.883020 -3.249384 Rho 0.2238144E+00 |GRAD(Rho)| 0.3792100E-15 GRAD(Rho)x -0.1000719E-15 GRAD(Rho)y 0.3299227E-15 GRAD(Rho)z -0.1579140E-15 Laplacian 0.8562701E+00 (-1/4)Del**2(Rho)) -0.2140675E+00 Diamond 0.2753140E+01 Metallicity 0.6639707E+01 Ellipticity 0.1706072E-01 Gb(Abramov) 0.3796026E+00 Vb(Abramov) -0.5451378E+00 Hb(Abramov) -0.1655351E+00 Ex_ueg -0.1003619E+00 Ec_ueg -0.1332743E-01 Delta_ex -0.1014104E+00 Delta_ec 0.1897945E-01 Delta_et -0.2607919E+00 Pxc 0.7530480E+01 Qxc -0.5343168E+01 3,-1 110 3 -1 -1.729813 -0.560331 -1.759632 Rho 0.3938416E-01 |GRAD(Rho)| 0.4056223E-16 GRAD(Rho)x -0.2276168E-16 GRAD(Rho)y -0.1760955E-16 GRAD(Rho)z 0.2858503E-16 Laplacian 0.1601775E+00 (-1/4)Del**2(Rho)) -0.4004437E-01 Diamond 0.6182158E-01 Metallicity 0.1961316E+01 Ellipticity 0.2862125E-01 Gb(Abramov) 0.3978620E-01 Vb(Abramov) -0.3952802E-01 Hb(Abramov) 0.2581775E-03 Ex_ueg -0.9896474E-02 Ec_ueg -0.1837074E-02 Delta_ex -0.1260716E-01 Delta_ec 0.5110945E-02 Delta_et -0.5061625E-01 Pxc 0.5387086E+01 Qxc -0.2466698E+01 3,-1 111 3 -1 -1.802395 -0.563425 2.836098 Rho 0.1525008E+00 |GRAD(Rho)| 0.4892454E-15 GRAD(Rho)x 0.3260196E-15 GRAD(Rho)y -0.3288656E-15 GRAD(Rho)z 0.1578598E-15 Laplacian 0.6400252E+00 (-1/4)Del**2(Rho)) -0.1600063E+00 Diamond 0.1319091E+01 Metallicity 0.4686728E+01 Ellipticity 0.2090470E-01 Gb(Abramov) 0.2316552E+00 Vb(Abramov) -0.3033041E+00 Hb(Abramov) -0.7164891E-01 Ex_ueg -0.6017480E-01 Ec_ueg -0.8603795E-02 Delta_ex -0.6897457E-01 Delta_ec 0.1610373E-01 Delta_et -0.2146993E+00 Pxc 0.6993984E+01 Qxc -0.4283142E+01 3,-1 112 3 +1 -1.726945 0.532173 -0.507885 Rho 0.9166380E-02 |GRAD(Rho)| 0.9906356E-17 GRAD(Rho)x -0.3191620E-17 GRAD(Rho)y 0.6353640E-17 GRAD(Rho)z 0.6897876E-17 Laplacian 0.3830190E-01 (-1/4)Del**2(Rho)) -0.9575474E-02 Diamond 0.1211460E-02 Metallicity 0.7223084E+00 Ellipticity -0.1486034E+01 Gb(Abramov) 0.7536390E-02 Vb(Abramov) -0.5497307E-02 Hb(Abramov) 0.2039084E-02 Ex_ueg -0.1416823E-02 Ec_ueg -0.3303922E-03 Delta_ex -0.1816965E-02 Delta_ec 0.6079251E-03 Delta_et -0.4168824E-02 Pxc 0.4288306E+01 Qxc -0.2988798E+01 3,+1 113 3 +1 -1.769969 1.745525 -1.755149 Rho 0.1142963E-01 |GRAD(Rho)| 0.1706617E-16 GRAD(Rho)x 0.1194211E-16 GRAD(Rho)y 0.9687834E-17 GRAD(Rho)z -0.7401757E-17 Laplacian 0.5576257E-01 (-1/4)Del**2(Rho)) -0.1394064E-01 Diamond 0.2126979E-02 Metallicity 0.7166775E+00 Ellipticity -0.1289623E+01 Gb(Abramov) 0.1095892E-01 Vb(Abramov) -0.7977197E-02 Hb(Abramov) 0.2981724E-02 Ex_ueg -0.1901492E-02 Ec_ueg -0.4333030E-03 Delta_ex -0.2717426E-02 Delta_ec 0.7440918E-03 Delta_et -0.5497246E-02 Pxc 0.4388365E+01 Qxc -0.3652003E+01 3,+1 114 3 -1 -2.989905 1.951652 0.857685 Rho 0.1343861E+00 |GRAD(Rho)| 0.6667586E-12 GRAD(Rho)x 0.2582196E-12 GRAD(Rho)y 0.3472743E-12 GRAD(Rho)z -0.5072379E-12 Laplacian 0.5292658E+00 (-1/4)Del**2(Rho)) -0.1323164E+00 Diamond 0.9465580E+00 Metallicity 0.4590535E+01 Ellipticity 0.2476940E-01 Gb(Abramov) 0.1894448E+00 Vb(Abramov) -0.2465732E+00 Hb(Abramov) -0.5712840E-01 Ex_ueg -0.5083829E-01 Ec_ueg -0.7451622E-02 Delta_ex -0.5541087E-01 Delta_ec 0.1393194E-01 Delta_et -0.1827323E+00 Pxc 0.6822445E+01 Qxc -0.3977255E+01 3,-1 115 3 -1 -0.571076 2.771887 -1.789144 Rho 0.1281895E+00 |GRAD(Rho)| 0.2685450E-12 GRAD(Rho)x 0.1508841E-12 GRAD(Rho)y -0.3482907E-13 GRAD(Rho)z -0.2194022E-12 Laplacian 0.5338845E+00 (-1/4)Del**2(Rho)) -0.1334711E+00 Diamond 0.8831317E+00 Metallicity 0.4206489E+01 Ellipticity 0.1269446E-01 Gb(Abramov) 0.1825549E+00 Vb(Abramov) -0.2316387E+00 Hb(Abramov) -0.4908377E-01 Ex_ueg -0.4773697E-01 Ec_ueg -0.7062316E-02 Delta_ex -0.5502862E-01 Delta_ec 0.1379514E-01 Delta_et -0.1787978E+00 Pxc 0.6759394E+01 Qxc -0.3988986E+01 3,-1 116 3 -1 -0.835915 2.974201 1.977662 Rho 0.1551392E+00 |GRAD(Rho)| 0.6252367E-15 GRAD(Rho)x -0.4517057E-15 GRAD(Rho)y 0.3593317E-15 GRAD(Rho)z -0.2403405E-15 Laplacian 0.6120156E+00 (-1/4)Del**2(Rho)) -0.1530039E+00 Diamond 0.1291173E+01 Metallicity 0.5043360E+01 Ellipticity 0.4156650E-01 Gb(Abramov) 0.2306116E+00 Vb(Abramov) -0.3082192E+00 Hb(Abramov) -0.7760766E-01 Ex_ueg -0.6156688E-01 Ec_ueg -0.8773305E-02 Delta_ex -0.6626972E-01 Delta_ec 0.1539332E-01 Delta_et -0.2058459E+00 Pxc 0.7017524E+01 Qxc -0.4305096E+01 3,-1 117 3 -1 -0.825894 1.991353 2.982646 Rho 0.1273197E+00 |GRAD(Rho)| 0.4341499E-13 GRAD(Rho)x 0.3109419E-13 GRAD(Rho)y 0.2616719E-13 GRAD(Rho)z -0.1527389E-13 Laplacian 0.5068718E+00 (-1/4)Del**2(Rho)) -0.1267179E+00 Diamond 0.8464354E+00 Metallicity 0.4380675E+01 Ellipticity 0.2162545E-01 Gb(Abramov) 0.1769970E+00 Vb(Abramov) -0.2272760E+00 Hb(Abramov) -0.5027904E-01 Ex_ueg -0.4730560E-01 Ec_ueg -0.7007875E-02 Delta_ex -0.5234218E-01 Delta_ec 0.1344650E-01 Delta_et -0.1746923E+00 Pxc 0.6750348E+01 Qxc -0.3892625E+01 3,-1 118 3 -1 0.464556 1.640886 -1.708934 Rho 0.3925799E-01 |GRAD(Rho)| 0.5447901E-16 GRAD(Rho)x -0.4860879E-16 GRAD(Rho)y -0.1799077E-16 GRAD(Rho)z -0.1677739E-16 Laplacian 0.1608397E+00 (-1/4)Del**2(Rho)) -0.4020992E-01 Diamond 0.6026789E-01 Metallicity 0.1942824E+01 Ellipticity 0.1352070E-01 Gb(Abramov) 0.3982675E-01 Vb(Abramov) -0.3944357E-01 Hb(Abramov) 0.3831762E-03 Ex_ueg -0.9854225E-02 Ec_ueg -0.1830323E-02 Delta_ex -0.1255779E-01 Delta_ec 0.4968645E-02 Delta_et -0.4914803E-01 Pxc 0.5383872E+01 Qxc -0.2527407E+01 3,-1 119 3 -1 -0.065073 3.177241 -3.167508 Rho 0.2311349E+00 |GRAD(Rho)| 0.9616398E-15 GRAD(Rho)x -0.2526191E-15 GRAD(Rho)y 0.2884520E-15 GRAD(Rho)z -0.8818900E-15 Laplacian 0.8326486E+00 (-1/4)Del**2(Rho)) -0.2081622E+00 Diamond 0.2826960E+01 Metallicity 0.7204338E+01 Ellipticity 0.6454879E-03 Gb(Abramov) 0.3887199E+00 Vb(Abramov) -0.5692775E+00 Hb(Abramov) -0.1805577E+00 Ex_ueg -0.1047625E+00 Ec_ueg -0.1382845E-01 Delta_ex -0.9968902E-01 Delta_ec 0.1872368E-01 Delta_et -0.2595016E+00 Pxc 0.7575867E+01 Qxc -0.5324222E+01 3,-1 120 3 -1 0.565512 1.804461 2.766285 Rho 0.1462992E+00 |GRAD(Rho)| 0.2714836E-13 GRAD(Rho)x -0.2650087E-13 GRAD(Rho)y 0.2216001E-14 GRAD(Rho)z 0.5461391E-14 Laplacian 0.6107948E+00 (-1/4)Del**2(Rho)) -0.1526987E+00 Diamond 0.1201488E+01 Metallicity 0.4582699E+01 Ellipticity 0.1092357E-01 Gb(Abramov) 0.2184278E+00 Vb(Abramov) -0.2841569E+00 Hb(Abramov) -0.6572912E-01 Ex_ueg -0.5693437E-01 Ec_ueg -0.8207035E-02 Delta_ex -0.6519579E-01 Delta_ec 0.1559890E-01 Delta_et -0.2069331E+00 Pxc 0.6937264E+01 Qxc -0.4179511E+01 3,-1 121 3 -1 0.822966 2.961363 -1.949051 Rho 0.1251930E+00 |GRAD(Rho)| 0.1693660E-15 GRAD(Rho)x -0.1502365E-15 GRAD(Rho)y -0.4995462E-16 GRAD(Rho)z -0.6015289E-16 Laplacian 0.4931943E+00 (-1/4)Del**2(Rho)) -0.1232986E+00 Diamond 0.7962277E+00 Metallicity 0.4377526E+01 Ellipticity 0.4279602E-01 Gb(Abramov) 0.1721562E+00 Vb(Abramov) -0.2210137E+00 Hb(Abramov) -0.4885759E-01 Ex_ueg -0.4625499E-01 Ec_ueg -0.6874979E-02 Delta_ex -0.5058672E-01 Delta_ec 0.1289003E-01 Delta_et -0.1665602E+00 Pxc 0.6728019E+01 Qxc -0.3924483E+01 3,-1 122 3 -1 0.589670 2.794296 1.795417 Rho 0.1600517E+00 |GRAD(Rho)| 0.4023864E-15 GRAD(Rho)x 0.6291083E-16 GRAD(Rho)y -0.6572298E-16 GRAD(Rho)z -0.3919662E-15 Laplacian 0.6672726E+00 (-1/4)Del**2(Rho)) -0.1668181E+00 Diamond 0.1460870E+01 Metallicity 0.4872408E+01 Ellipticity 0.1941292E-01 Gb(Abramov) 0.2466798E+00 Vb(Abramov) -0.3265414E+00 Hb(Abramov) -0.7986163E-01 Ex_ueg -0.6417985E-01 Ec_ueg -0.9090041E-02 Delta_ex -0.7280716E-01 Delta_ec 0.1664223E-01 Delta_et -0.2234290E+00 Pxc 0.7060458E+01 Qxc -0.4374844E+01 3,-1 123 3 -1 -1.697132 1.656710 0.480067 Rho 0.4015373E-01 |GRAD(Rho)| 0.1030002E-15 GRAD(Rho)x 0.7125559E-16 GRAD(Rho)y -0.6356432E-16 GRAD(Rho)z 0.3861687E-16 Laplacian 0.1557237E+00 (-1/4)Del**2(Rho)) -0.3893092E-01 Diamond 0.5770232E-01 Metallicity 0.2083539E+01 Ellipticity 0.1809045E-01 Gb(Abramov) 0.3947296E-01 Vb(Abramov) -0.4001500E-01 Hb(Abramov) -0.5420412E-03 Ex_ueg -0.1015515E-01 Ec_ueg -0.1878313E-02 Delta_ex -0.1208359E-01 Delta_ec 0.4555788E-02 Delta_et -0.4531278E-01 Pxc 0.5406525E+01 Qxc -0.2652359E+01 3,-1 124 3 -1 1.633870 0.380696 -1.756125 Rho 0.3794481E-01 |GRAD(Rho)| 0.1114814E-15 GRAD(Rho)x 0.9035872E-16 GRAD(Rho)y -0.4215207E-16 GRAD(Rho)z -0.4986589E-16 Laplacian 0.1451971E+00 (-1/4)Del**2(Rho)) -0.3629927E-01 Diamond 0.5050883E-01 Metallicity 0.2033493E+01 Ellipticity 0.2463607E-01 Gb(Abramov) 0.3650190E-01 Vb(Abramov) -0.3670452E-01 Hb(Abramov) -0.2026281E-03 Ex_ueg -0.9417196E-02 Ec_ueg -0.1760238E-02 Delta_ex -0.1115269E-01 Delta_ec 0.4326331E-02 Delta_et -0.4238651E-01 Pxc 0.5349957E+01 Qxc -0.2577863E+01 3,-1 125 3 +1 2.026271 2.020406 -2.006906 Rho 0.1219850E-01 |GRAD(Rho)| 0.5905247E-17 GRAD(Rho)x -0.4077100E-17 GRAD(Rho)y -0.1142519E-17 GRAD(Rho)z -0.4116291E-17 Laplacian 0.5704832E-01 (-1/4)Del**2(Rho)) -0.1426208E-01 Diamond 0.2049963E-02 Metallicity 0.7808143E+00 Ellipticity -0.1215425E+01 Gb(Abramov) 0.1136406E-01 Vb(Abramov) -0.8466038E-02 Hb(Abramov) 0.2898021E-02 Ex_ueg -0.2073928E-02 Ec_ueg -0.4687402E-03 Delta_ex -0.2734923E-02 Delta_ec 0.5951125E-03 Delta_et -0.4591011E-02 Pxc 0.4424472E+01 Qxc -0.4595639E+01 3,+1 126 3 -1 1.782782 0.546518 2.776468 Rho 0.1325675E+00 |GRAD(Rho)| 0.6954108E-15 GRAD(Rho)x -0.4535489E-15 GRAD(Rho)y 0.5225448E-15 GRAD(Rho)z 0.6954479E-16 Laplacian 0.5560657E+00 (-1/4)Del**2(Rho)) -0.1390164E+00 Diamond 0.9716828E+00 Metallicity 0.4271187E+01 Ellipticity 0.1157422E-01 Gb(Abramov) 0.1916385E+00 Vb(Abramov) -0.2442605E+00 Hb(Abramov) -0.5262205E-01 Ex_ueg -0.4992303E-01 Ec_ueg -0.7337103E-02 Delta_ex -0.5794725E-01 Delta_ec 0.1454562E-01 Delta_et -0.1900996E+00 Pxc 0.6804189E+01 Qxc -0.3983827E+01 3,-1 127 3 -1 1.609521 -1.754769 0.421012 Rho 0.4173751E-01 |GRAD(Rho)| 0.1306299E-15 GRAD(Rho)x -0.1115108E-15 GRAD(Rho)y 0.7343987E-17 GRAD(Rho)z 0.6764289E-16 Laplacian 0.1619010E+00 (-1/4)Del**2(Rho)) -0.4047524E-01 Diamond 0.6420396E-01 Metallicity 0.2137509E+01 Ellipticity 0.1306129E-01 Gb(Abramov) 0.4140286E-01 Vb(Abramov) -0.4233048E-01 Hb(Abramov) -0.9276173E-03 Ex_ueg -0.1069269E-01 Ec_ueg -0.1963521E-02 Delta_ex -0.1273789E-01 Delta_ec 0.4830421E-02 Delta_et -0.4855801E-01 Pxc 0.5445673E+01 Qxc -0.2637014E+01 3,-1 128 3 +1 1.090500 -2.159351 1.262228 Rho 0.2433695E-01 |GRAD(Rho)| 0.1032139E-15 GRAD(Rho)x -0.3730943E-16 GRAD(Rho)y 0.9598760E-16 GRAD(Rho)z -0.6891197E-17 Laplacian 0.9760541E-01 (-1/4)Del**2(Rho)) -0.2440135E-01 Diamond 0.1362785E-01 Metallicity 0.1442944E+01 Ellipticity -0.6995661E+01 Gb(Abramov) 0.2213586E-01 Vb(Abramov) -0.1987038E-01 Hb(Abramov) 0.2265487E-02 Ex_ueg -0.5208826E-02 Ec_ueg -0.1055389E-02 Delta_ex -0.6176386E-02 Delta_ec 0.1922759E-02 Delta_et -0.1679431E-01 Pxc 0.4935457E+01 Qxc -0.3212252E+01 3,+1 129 3 -1 1.931232 -3.017609 0.847929 Rho 0.1227912E+00 |GRAD(Rho)| 0.8648562E-16 GRAD(Rho)x 0.3145542E-16 GRAD(Rho)y 0.2770137E-16 GRAD(Rho)z 0.7565021E-16 Laplacian 0.4777445E+00 (-1/4)Del**2(Rho)) -0.1194361E+00 Diamond 0.7724209E+00 Metallicity 0.4375516E+01 Ellipticity 0.1879667E-01 Gb(Abramov) 0.1667232E+00 Vb(Abramov) -0.2140103E+00 Hb(Abramov) -0.4728707E-01 Ex_ueg -0.4507556E-01 Ec_ueg -0.6725254E-02 Delta_ex -0.4902017E-01 Delta_ec 0.1298242E-01 Delta_et -0.1679727E+00 Pxc 0.6702433E+01 Qxc -0.3775888E+01 3,-1 130 3 +1 0.293827 -1.916801 -0.695865 Rho 0.6049391E-02 |GRAD(Rho)| 0.1025758E-16 GRAD(Rho)x 0.9717162E-17 GRAD(Rho)y -0.3042542E-17 GRAD(Rho)z 0.1240056E-17 Laplacian 0.2469270E-01 (-1/4)Del**2(Rho)) -0.6173176E-02 Diamond 0.6586034E-03 Metallicity 0.5604849E+00 Ellipticity -0.2177773E+01 Gb(Abramov) 0.4692113E-02 Vb(Abramov) -0.3211049E-02 Hb(Abramov) 0.1481063E-02 Ex_ueg -0.8140803E-03 Ec_ueg -0.1923482E-03 Delta_ex -0.1212800E-02 Delta_ec 0.6676844E-03 Delta_et -0.3882447E-02 Pxc 0.4232327E+01 Qxc -0.1816427E+01 3,+1 131 3 +3 1.771964 -1.841275 1.847200 Rho 0.1189195E-01 |GRAD(Rho)| 0.1031303E-16 GRAD(Rho)x -0.9924949E-18 GRAD(Rho)y 0.8065601E-17 GRAD(Rho)z 0.6349775E-17 Laplacian 0.5415228E-01 (-1/4)Del**2(Rho)) -0.1353807E-01 Diamond 0.1111803E-02 Metallicity 0.7884093E+00 Ellipticity -0.5080338E+00 Gb(Abramov) 0.1080430E-01 Vb(Abramov) -0.8070537E-02 Hb(Abramov) 0.2733767E-02 Ex_ueg -0.2004730E-02 Ec_ueg -0.4545835E-03 Delta_ex -0.2353833E-02 Delta_ec 0.1643274E-03 Delta_et -0.1645316E-02 Pxc 0.4410038E+01 Qxc -0.1432405E+02 3,+3 132 3 +1 1.982003 -2.032601 2.067081 Rho 0.1246102E-01 |GRAD(Rho)| 0.2100321E-16 GRAD(Rho)x -0.1013961E-16 GRAD(Rho)y -0.1743838E-16 GRAD(Rho)z -0.5850294E-17 Laplacian 0.5869251E-01 (-1/4)Del**2(Rho)) -0.1467313E-01 Diamond 0.2143770E-02 Metallicity 0.7863573E+00 Ellipticity -0.1204777E+01 Gb(Abramov) 0.1170514E-01 Vb(Abramov) -0.8737150E-02 Hb(Abramov) 0.2967989E-02 Ex_ueg -0.2133651E-02 Ec_ueg -0.4808930E-03 Delta_ex -0.2822393E-02 Delta_ec 0.5985038E-03 Delta_et -0.4652211E-02 Pxc 0.4436851E+01 Qxc -0.4715748E+01 3,+1 133 3 -1 1.960430 0.799721 -3.005205 Rho 0.1277866E+00 |GRAD(Rho)| 0.9397267E-14 GRAD(Rho)x -0.5975458E-14 GRAD(Rho)y -0.3485602E-14 GRAD(Rho)z -0.6360276E-14 Laplacian 0.4958726E+00 (-1/4)Del**2(Rho)) -0.1239682E+00 Diamond 0.8421568E+00 Metallicity 0.4505246E+01 Ellipticity 0.2235458E-01 Gb(Abramov) 0.1757299E+00 Vb(Abramov) -0.2274917E+00 Hb(Abramov) -0.5176179E-01 Ex_ueg -0.4753704E-01 Ec_ueg -0.7037093E-02 Delta_ex -0.5138015E-01 Delta_ec 0.1337318E-01 Delta_et -0.1742607E+00 Pxc 0.6755210E+01 Qxc -0.3842030E+01 3,-1 134 3 +1 1.643649 -0.590590 -0.565277 Rho 0.8773039E-02 |GRAD(Rho)| 0.5467874E-14 GRAD(Rho)x 0.3258718E-14 GRAD(Rho)y 0.1112722E-14 GRAD(Rho)z -0.4247382E-14 Laplacian 0.3719105E-01 (-1/4)Del**2(Rho)) -0.9297762E-02 Diamond 0.1074284E-02 Metallicity 0.6914459E+00 Ellipticity -0.1416089E+01 Gb(Abramov) 0.7269991E-02 Vb(Abramov) -0.5242220E-02 Hb(Abramov) 0.2027771E-02 Ex_ueg -0.1336345E-02 Ec_ueg -0.3127290E-03 Delta_ex -0.1730274E-02 Delta_ec 0.5637678E-03 Delta_et -0.3840462E-02 Pxc 0.4273172E+01 Qxc -0.3069125E+01 3,+1 135 3 -1 -2.965958 0.852392 2.030622 Rho 0.1443091E+00 |GRAD(Rho)| 0.2392949E-15 GRAD(Rho)x -0.1766030E-15 GRAD(Rho)y -0.1050727E-15 GRAD(Rho)z 0.1226097E-15 Laplacian 0.5773470E+00 (-1/4)Del**2(Rho)) -0.1443368E+00 Diamond 0.1116086E+01 Metallicity 0.4738771E+01 Ellipticity 0.4137248E-01 Gb(Abramov) 0.2102210E+00 Vb(Abramov) -0.2761052E+00 Hb(Abramov) -0.6588422E-01 Ex_ueg -0.5590406E-01 Ec_ueg -0.8080215E-02 Delta_ex -0.6140808E-01 Delta_ec 0.1477434E-01 Delta_et -0.1955629E+00 Pxc 0.6918635E+01 Qxc -0.4156400E+01 3,-1 136 3 -1 -1.816302 2.761493 -0.570813 Rho 0.1443628E+00 |GRAD(Rho)| 0.2797623E-14 GRAD(Rho)x -0.2108421E-14 GRAD(Rho)y -0.6124861E-15 GRAD(Rho)z 0.1733815E-14 Laplacian 0.5955241E+00 (-1/4)Del**2(Rho)) -0.1488810E+00 Diamond 0.1159000E+01 Metallicity 0.4596981E+01 Ellipticity 0.1349694E-01 Gb(Abramov) 0.2133212E+00 Vb(Abramov) -0.2777614E+00 Hb(Abramov) -0.6444020E-01 Ex_ueg -0.5593181E-01 Ec_ueg -0.8083635E-02 Delta_ex -0.6342332E-01 Delta_ec 0.1537399E-01 Delta_et -0.2038079E+00 Pxc 0.6919140E+01 Qxc -0.4125365E+01 3,-1 137 3 -1 -2.807958 1.772736 -0.566659 Rho 0.1931292E+00 |GRAD(Rho)| 0.5155914E-15 GRAD(Rho)x 0.8038004E-16 GRAD(Rho)y 0.3554557E-15 GRAD(Rho)z 0.3647256E-15 Laplacian 0.7866061E+00 (-1/4)Del**2(Rho)) -0.1966515E+00 Diamond 0.2128125E+01 Metallicity 0.5652872E+01 Ellipticity 0.1902122E-01 Gb(Abramov) 0.3163753E+00 Vb(Abramov) -0.4360991E+00 Hb(Abramov) -0.1197238E+00 Ex_ueg -0.8244842E-01 Ec_ueg -0.1125954E-01 Delta_ex -0.8975872E-01 Delta_ec 0.1829872E-01 Delta_et -0.2495175E+00 Pxc 0.7322537E+01 Qxc -0.4905192E+01 3,-1 138 3 +3 -1.136919 1.092440 -1.144216 Rho 0.4864027E-02 |GRAD(Rho)| 0.2852389E-15 GRAD(Rho)x 0.2849909E-15 GRAD(Rho)y 0.1153201E-16 GRAD(Rho)z -0.2904919E-17 Laplacian 0.1991299E-01 (-1/4)Del**2(Rho)) -0.4978247E-02 Diamond 0.1433722E-03 Metallicity 0.4832109E+00 Ellipticity -0.2252332E+00 Gb(Abramov) 0.3719755E-02 Vb(Abramov) -0.2461263E-02 Hb(Abramov) 0.1258492E-02 Ex_ueg -0.6086670E-03 Ec_ueg -0.1410660E-03 Delta_ex -0.6918575E-03 Delta_ec 0.1039993E-03 Delta_et -0.7722357E-03 Pxc 0.4314766E+01 Qxc -0.6652518E+01 3,+3 139 3 -1 -1.974785 -3.061462 -0.730547 Rho 0.1529084E+00 |GRAD(Rho)| 0.1569785E-11 GRAD(Rho)x 0.9011209E-12 GRAD(Rho)y -0.8631945E-12 GRAD(Rho)z -0.9524187E-12 Laplacian 0.5753261E+00 (-1/4)Del**2(Rho)) -0.1438315E+00 Diamond 0.1220006E+01 Metallicity 0.5237027E+01 Ellipticity 0.1145684E+00 Gb(Abramov) 0.2214293E+00 Vb(Abramov) -0.2990271E+00 Hb(Abramov) -0.7759776E-01 Ex_ueg -0.6038935E-01 Ec_ueg -0.8629955E-02 Delta_ex -0.6233855E-01 Delta_ec 0.1499406E-01 Delta_et -0.2012343E+00 Pxc 0.6997643E+01 Qxc -0.4157548E+01 3,-1 140 3 -1 -1.993268 2.933522 0.836653 Rho 0.1179441E+00 |GRAD(Rho)| 0.7641402E-14 GRAD(Rho)x -0.4009583E-14 GRAD(Rho)y -0.3406313E-14 GRAD(Rho)z -0.5541777E-14 Laplacian 0.4732622E+00 (-1/4)Del**2(Rho)) -0.1183156E+00 Diamond 0.7172946E+00 Metallicity 0.4130204E+01 Ellipticity 0.1365882E-01 Gb(Abramov) 0.1603216E+00 Vb(Abramov) -0.2023277E+00 Hb(Abramov) -0.4200605E-01 Ex_ueg -0.4271888E-01 Ec_ueg -0.6424315E-02 Delta_ex -0.4793736E-01 Delta_ec 0.1269426E-01 Delta_et -0.1626231E+00 Pxc 0.6649563E+01 Qxc -0.3776301E+01 3,-1 141 3 -1 -0.472350 1.693628 1.680658 Rho 0.4116518E-01 |GRAD(Rho)| 0.8864873E-16 GRAD(Rho)x 0.4126797E-16 GRAD(Rho)y 0.7611247E-16 GRAD(Rho)z 0.1903791E-16 Laplacian 0.1627519E+00 (-1/4)Del**2(Rho)) -0.4068799E-01 Diamond 0.6275345E-01 Metallicity 0.2077959E+01 Ellipticity 0.2735209E-01 Gb(Abramov) 0.4121665E-01 Vb(Abramov) -0.4174532E-01 Hb(Abramov) -0.5286652E-03 Ex_ueg -0.1049764E-01 Ec_ueg -0.1932678E-02 Delta_ex -0.1272818E-01 Delta_ec 0.4797656E-02 Delta_et -0.4804240E-01 Pxc 0.5431656E+01 Qxc -0.2653000E+01 3,-1 142 3 -1 -0.581803 1.803973 -2.776122 Rho 0.1399916E+00 |GRAD(Rho)| 0.1775917E-13 GRAD(Rho)x 0.1735889E-13 GRAD(Rho)y 0.5979511E-15 GRAD(Rho)z -0.3701287E-14 Laplacian 0.5933092E+00 (-1/4)Del**2(Rho)) -0.1483273E+00 Diamond 0.1086681E+01 Metallicity 0.4383647E+01 Ellipticity 0.3057884E-01 Gb(Abramov) 0.2072539E+00 Vb(Abramov) -0.2661806E+00 Hb(Abramov) -0.5892664E-01 Ex_ueg -0.5368519E-01 Ec_ueg -0.7805945E-02 Delta_ex -0.6243035E-01 Delta_ec 0.1492234E-01 Delta_et -0.1958566E+00 Pxc 0.6877474E+01 Qxc -0.4183685E+01 3,-1 143 3 +1 -1.137129 1.223627 2.141183 Rho 0.2452491E-01 |GRAD(Rho)| 0.3099192E-16 GRAD(Rho)x 0.3512000E-17 GRAD(Rho)y 0.1962777E-16 GRAD(Rho)z 0.2372584E-16 Laplacian 0.9610095E-01 (-1/4)Del**2(Rho)) -0.2402524E-01 Diamond 0.1273365E-01 Metallicity 0.1484446E+01 Ellipticity -0.4473251E+01 Gb(Abramov) 0.2196085E-01 Vb(Abramov) -0.1989647E-01 Hb(Abramov) 0.2064384E-02 Ex_ueg -0.5262534E-02 Ec_ueg -0.1064824E-02 Delta_ex -0.6001280E-02 Delta_ec 0.1728698E-02 Delta_et -0.1516396E-01 Pxc 0.4942164E+01 Qxc -0.3471561E+01 3,+1 144 3 -1 0.834069 -2.998904 2.044771 Rho 0.1456013E+00 |GRAD(Rho)| 0.2703673E-11 GRAD(Rho)x -0.2023721E-11 GRAD(Rho)y 0.1059218E-11 GRAD(Rho)z 0.1446534E-11 Laplacian 0.5783486E+00 (-1/4)Del**2(Rho)) -0.1445872E+00 Diamond 0.1114491E+01 Metallicity 0.4801374E+01 Ellipticity 0.7316388E-01 Gb(Abramov) 0.2120943E+00 Vb(Abramov) -0.2796014E+00 Hb(Abramov) -0.6750712E-01 Ex_ueg -0.5657251E-01 Ec_ueg -0.8162531E-02 Delta_ex -0.6148763E-01 Delta_ec 0.1447946E-01 Delta_et -0.1912701E+00 Pxc 0.6930755E+01 Qxc -0.4246541E+01 3,-1 145 3 +1 0.581217 -1.549308 -1.650234 Rho 0.2910218E-02 |GRAD(Rho)| 0.5507191E-17 GRAD(Rho)x -0.3783908E-17 GRAD(Rho)y 0.2235214E-17 GRAD(Rho)z 0.3318887E-17 Laplacian 0.1136167E-01 (-1/4)Del**2(Rho)) -0.2840419E-02 Diamond 0.7227994E-04 Metallicity 0.3597880E+00 Ellipticity -0.1090001E+01 Gb(Abramov) 0.2063937E-02 Vb(Abramov) -0.1287456E-02 Hb(Abramov) 0.7764815E-03 Ex_ueg -0.3068686E-03 Ec_ueg -0.5812014E-04 Delta_ex -0.4043388E-03 Delta_ec 0.1671847E-03 Delta_et -0.8501479E-03 Pxc 0.5279900E+01 Qxc -0.2418516E+01 3,+1 146 3 -1 1.327751 -2.137116 -2.127904 Rho 0.6868552E-02 |GRAD(Rho)| 0.5086190E-14 GRAD(Rho)x 0.3745005E-14 GRAD(Rho)y 0.2441085E-14 GRAD(Rho)z 0.2425976E-14 Laplacian 0.2808776E-01 (-1/4)Del**2(Rho)) -0.7021940E-02 Diamond 0.1284737E-02 Metallicity 0.6088888E+00 Ellipticity 0.8763686E+00 Gb(Abramov) 0.5393890E-02 Vb(Abramov) -0.3765840E-02 Hb(Abramov) 0.1628050E-02 Ex_ueg -0.9642848E-03 Ec_ueg -0.2281897E-03 Delta_ex -0.1657490E-02 Delta_ec 0.1189033E-02 Delta_et -0.6984141E-02 Pxc 0.4225803E+01 Qxc -0.1393981E+01 3,-1 147 3 -1 0.802291 -1.984618 3.010584 Rho 0.1290182E+00 |GRAD(Rho)| 0.1542212E-13 GRAD(Rho)x 0.7424976E-14 GRAD(Rho)y 0.1252592E-13 GRAD(Rho)z -0.5080632E-14 Laplacian 0.5080689E+00 (-1/4)Del**2(Rho)) -0.1270172E+00 Diamond 0.8503995E+00 Metallicity 0.4467955E+01 Ellipticity 0.4243320E-01 Gb(Abramov) 0.1792627E+00 Vb(Abramov) -0.2315081E+00 Hb(Abramov) -0.5224545E-01 Ex_ueg -0.4814889E-01 Ec_ueg -0.7114232E-02 Delta_ex -0.5249126E-01 Delta_ec 0.1318252E-01 Delta_et -0.1711741E+00 Pxc 0.6767967E+01 Qxc -0.3981884E+01 3,-1 148 3 +3 0.706871 -1.451213 -1.540225 Rho 0.2900116E-02 |GRAD(Rho)| 0.3003339E-17 GRAD(Rho)x -0.1430030E-17 GRAD(Rho)y 0.2640890E-17 GRAD(Rho)z 0.2752857E-19 Laplacian 0.1150823E-01 (-1/4)Del**2(Rho)) -0.2877058E-02 Diamond 0.6283756E-04 Metallicity 0.3531535E+00 Ellipticity -0.8971699E+00 Gb(Abramov) 0.2087379E-02 Vb(Abramov) -0.1297700E-02 Hb(Abramov) 0.7896789E-03 Ex_ueg -0.3054491E-03 Ec_ueg -0.5769662E-04 Delta_ex -0.3899765E-03 Delta_ec 0.1349549E-03 Delta_et -0.7161422E-03 Pxc 0.5294056E+01 Qxc -0.2889681E+01 3,+3 149 3 +1 2.109592 0.986626 -1.358819 Rho 0.2212211E-01 |GRAD(Rho)| 0.1395059E-13 GRAD(Rho)x 0.5510175E-14 GRAD(Rho)y -0.6895524E-14 GRAD(Rho)z -0.1080318E-13 Laplacian 0.8443299E-01 (-1/4)Del**2(Rho)) -0.2110825E-01 Diamond 0.9133104E-02 Metallicity 0.1422805E+01 Ellipticity -0.3020180E+01 Gb(Abramov) 0.1907765E-01 Vb(Abramov) -0.1704706E-01 Hb(Abramov) 0.2030595E-02 Ex_ueg -0.4586562E-02 Ec_ueg -0.9449381E-03 Delta_ex -0.5057678E-02 Delta_ec 0.1387220E-02 Delta_et -0.1189530E-01 Pxc 0.4853822E+01 Qxc -0.3645910E+01 3,+1 150 3 -1 2.796307 1.804069 0.580064 Rho 0.1404086E+00 |GRAD(Rho)| 0.2876491E-15 GRAD(Rho)x -0.3147574E-16 GRAD(Rho)y 0.2556684E-15 GRAD(Rho)z -0.1280036E-15 Laplacian 0.5892423E+00 (-1/4)Del**2(Rho)) -0.1473106E+00 Diamond 0.1106984E+01 Metallicity 0.4435835E+01 Ellipticity 0.1269339E-01 Gb(Abramov) 0.2071146E+00 Vb(Abramov) -0.2669186E+00 Hb(Abramov) -0.5980403E-01 Ex_ueg -0.5389849E-01 Ec_ueg -0.7832381E-02 Delta_ex -0.6230747E-01 Delta_ec 0.1527318E-01 Delta_et -0.2015441E+00 Pxc 0.6881495E+01 Qxc -0.4079534E+01 3,-1 151 3 -1 3.005943 1.970471 -0.841736 Rho 0.1853235E+00 |GRAD(Rho)| 0.1955270E-15 GRAD(Rho)x -0.2119615E-16 GRAD(Rho)y -0.1438465E-15 GRAD(Rho)z -0.1307277E-15 Laplacian 0.7264664E+00 (-1/4)Del**2(Rho)) -0.1816166E+00 Diamond 0.1889391E+01 Metallicity 0.5714110E+01 Ellipticity 0.4673888E-01 Gb(Abramov) 0.2940406E+00 Vb(Abramov) -0.4064646E+00 Hb(Abramov) -0.1124240E+00 Ex_ueg -0.7803555E-01 Ec_ueg -0.1074191E-01 Delta_ex -0.8217412E-01 Delta_ec 0.1734445E-01 Delta_et -0.2364588E+00 Pxc 0.7264585E+01 Qxc -0.4737775E+01 3,-1 152 3 -1 -1.959805 0.859237 3.023029 Rho 0.1525127E+00 |GRAD(Rho)| 0.2061651E-12 GRAD(Rho)x -0.1752546E-12 GRAD(Rho)y 0.4379670E-13 GRAD(Rho)z 0.9935642E-13 Laplacian 0.6032026E+00 (-1/4)Del**2(Rho)) -0.1508006E+00 Diamond 0.1247478E+01 Metallicity 0.4973478E+01 Ellipticity 0.4428056E-01 Gb(Abramov) 0.2255344E+00 Vb(Abramov) -0.3002681E+00 Hb(Abramov) -0.7473373E-01 Ex_ueg -0.6018107E-01 Ec_ueg -0.8604559E-02 Delta_ex -0.6504805E-01 Delta_ec 0.1524932E-01 Delta_et -0.2034820E+00 Pxc 0.6994091E+01 Qxc -0.4265635E+01 3,-1 153 3 -1 -0.079660 -3.213297 3.234518 Rho 0.2313375E+00 |GRAD(Rho)| 0.1046081E-14 GRAD(Rho)x -0.1724830E-15 GRAD(Rho)y -0.7967260E-15 GRAD(Rho)z 0.6555628E-15 Laplacian 0.8274086E+00 (-1/4)Del**2(Rho)) -0.2068522E+00 Diamond 0.2815941E+01 Metallicity 0.7260554E+01 Ellipticity 0.1645658E-02 Gb(Abramov) 0.3882117E+00 Vb(Abramov) -0.5695712E+00 Hb(Abramov) -0.1813595E+00 Ex_ueg -0.1048849E+00 Ec_ueg -0.1384235E-01 Delta_ex -0.9910550E-01 Delta_ec 0.1863913E-01 Delta_et -0.2584995E+00 Pxc 0.7577102E+01 Qxc -0.5317066E+01 3,-1 154 3 -1 0.308966 -0.420117 0.326517 Rho 0.1979586E+00 |GRAD(Rho)| 0.1802976E-13 GRAD(Rho)x -0.1101143E-13 GRAD(Rho)y 0.1055495E-13 GRAD(Rho)z -0.9613209E-14 Laplacian 0.6695788E+00 (-1/4)Del**2(Rho)) -0.1673947E+00 Diamond 0.2103923E+01 Metallicity 0.6919936E+01 Ellipticity 0.7763219E-02 Gb(Abramov) 0.3046566E+00 Vb(Abramov) -0.4419185E+00 Hb(Abramov) -0.1372619E+00 Ex_ueg -0.8520876E-01 Ec_ueg -0.1158152E-01 Delta_ex -0.7852483E-01 Delta_ec 0.1839348E-01 Delta_et -0.2614457E+00 Pxc 0.7357303E+01 Qxc -0.4269166E+01 3,-1 155 3 -1 1.739856 -2.960282 -0.572679 Rho 0.2195410E+00 |GRAD(Rho)| 0.3160465E-15 GRAD(Rho)x -0.3153944E-15 GRAD(Rho)y 0.8402567E-18 GRAD(Rho)z -0.2027458E-16 Laplacian 0.8630979E+00 (-1/4)Del**2(Rho)) -0.2157745E+00 Diamond 0.2709891E+01 Metallicity 0.6378899E+01 Ellipticity 0.2533194E-01 Gb(Abramov) 0.3732503E+00 Vb(Abramov) -0.5307261E+00 Hb(Abramov) -0.1574758E+00 Ex_ueg -0.9781509E-01 Ec_ueg -0.1303632E-01 Delta_ex -0.1016994E+00 Delta_ec 0.1922051E-01 Delta_et -0.2637934E+00 Pxc 0.7503276E+01 Qxc -0.5291194E+01 3,-1 156 3 -1 2.770278 0.566057 1.826572 Rho 0.1411635E+00 |GRAD(Rho)| 0.2013070E-15 GRAD(Rho)x -0.6795237E-16 GRAD(Rho)y -0.1883801E-15 GRAD(Rho)z -0.2049142E-16 Laplacian 0.5957706E+00 (-1/4)Del**2(Rho)) -0.1489426E+00 Diamond 0.1125646E+01 Metallicity 0.4426614E+01 Ellipticity 0.1356156E-01 Gb(Abramov) 0.2091804E+00 Vb(Abramov) -0.2694181E+00 Hb(Abramov) -0.6023773E-01 Ex_ueg -0.5428524E-01 Ec_ueg -0.7880275E-02 Delta_ex -0.6307107E-01 Delta_ec 0.1540615E-01 Delta_et -0.2034295E+00 Pxc 0.6888750E+01 Qxc -0.4093889E+01 3,-1 157 3 -1 3.178245 0.029015 3.205367 Rho 0.2411982E+00 |GRAD(Rho)| 0.6716092E-15 GRAD(Rho)x 0.5868786E-15 GRAD(Rho)y 0.1483731E-15 GRAD(Rho)z 0.2908914E-15 Laplacian 0.8718033E+00 (-1/4)Del**2(Rho)) -0.2179508E+00 Diamond 0.3107153E+01 Metallicity 0.7387285E+01 Ellipticity 0.4352616E-02 Gb(Abramov) 0.4136447E+00 Vb(Abramov) -0.6093386E+00 Hb(Abramov) -0.1956939E+00 Ex_ueg -0.1108878E+00 Ec_ueg -0.1452198E-01 Delta_ex -0.1054967E+00 Delta_ec 0.1928041E-01 Delta_et -0.2673339E+00 Pxc 0.7635860E+01 Qxc -0.5471703E+01 3,-1 158 3 -1 2.938018 0.775165 -2.003152 Rho 0.8235866E-01 |GRAD(Rho)| 0.1044315E-15 GRAD(Rho)x -0.3375765E-16 GRAD(Rho)y -0.9792378E-16 GRAD(Rho)z -0.1331536E-16 Laplacian 0.3341925E+00 (-1/4)Del**2(Rho)) -0.8354813E-01 Diamond 0.3260810E+00 Metallicity 0.3214637E+01 Ellipticity 0.3661716E-02 Gb(Abramov) 0.1004616E+00 Vb(Abramov) -0.1173750E+00 Hb(Abramov) -0.1691344E-01 Ex_ueg -0.2646452E-01 Ec_ueg -0.4269439E-02 Delta_ex -0.3108844E-01 Delta_ec 0.9609603E-02 Delta_et -0.1145152E+00 Pxc 0.6198595E+01 Qxc -0.3235143E+01 3,-1 159 3 -1 -3.222653 0.046559 -3.219395 Rho 0.2232596E+00 |GRAD(Rho)| 0.1041325E-12 GRAD(Rho)x 0.7993497E-13 GRAD(Rho)y -0.3276733E-13 GRAD(Rho)z 0.5814012E-13 Laplacian 0.8126874E+00 (-1/4)Del**2(Rho)) -0.2031719E+00 Diamond 0.2645338E+01 Metallicity 0.6966906E+01 Ellipticity 0.1919492E-01 Gb(Abramov) 0.3713611E+00 Vb(Abramov) -0.5395503E+00 Hb(Abramov) -0.1681892E+00 Ex_ueg -0.1000304E+00 Ec_ueg -0.1328958E-01 Delta_ex -0.9642192E-01 Delta_ec 0.1844624E-01 Delta_et -0.2551551E+00 Pxc 0.7526979E+01 Qxc -0.5227186E+01 3,-1 160 3 -1 -1.802196 0.502782 -2.855023 Rho 0.1235703E+00 |GRAD(Rho)| 0.2815428E-15 GRAD(Rho)x -0.1064551E-15 GRAD(Rho)y -0.2166033E-15 GRAD(Rho)z 0.1449714E-15 Laplacian 0.5087448E+00 (-1/4)Del**2(Rho)) -0.1271862E+00 Diamond 0.8176826E+00 Metallicity 0.4152440E+01 Ellipticity 0.1531213E-01 Gb(Abramov) 0.1728130E+00 Vb(Abramov) -0.2184398E+00 Hb(Abramov) -0.4562678E-01 Ex_ueg -0.4545733E-01 Ec_ueg -0.6773781E-02 Delta_ex -0.5213608E-01 Delta_ec 0.1354796E-01 Delta_et -0.1750501E+00 Pxc 0.6710776E+01 Qxc -0.3848262E+01 3,-1 161 3 -1 -0.598928 -2.790075 1.868069 Rho 0.1452135E+00 |GRAD(Rho)| 0.2252514E-15 GRAD(Rho)x 0.4031877E-16 GRAD(Rho)y -0.8780344E-16 GRAD(Rho)z 0.2034776E-15 Laplacian 0.6084515E+00 (-1/4)Del**2(Rho)) -0.1521129E+00 Diamond 0.1166375E+01 Metallicity 0.4543585E+01 Ellipticity 0.3562691E-01 Gb(Abramov) 0.2165982E+00 Vb(Abramov) -0.2810836E+00 Hb(Abramov) -0.6448535E-01 Ex_ueg -0.5637167E-01 Ec_ueg -0.8137815E-02 Delta_ex -0.6462095E-01 Delta_ec 0.1519913E-01 Delta_et -0.2006031E+00 Pxc 0.6927127E+01 Qxc -0.4251621E+01 3,-1 162 3 -1 -0.582209 -1.826729 2.824889 Rho 0.1210697E+00 |GRAD(Rho)| 0.5084732E-15 GRAD(Rho)x 0.2936900E-15 GRAD(Rho)y -0.4145583E-15 GRAD(Rho)z 0.2079974E-16 Laplacian 0.5034000E+00 (-1/4)Del**2(Rho)) -0.1258500E+00 Diamond 0.7820994E+00 Metallicity 0.4055950E+01 Ellipticity 0.5152911E-02 Gb(Abramov) 0.1689735E+00 Vb(Abramov) -0.2120971E+00 Hb(Abramov) -0.4312354E-01 Ex_ueg -0.4423497E-01 Ec_ueg -0.6618189E-02 Delta_ex -0.5123946E-01 Delta_ec 0.1329615E-01 Delta_et -0.1709045E+00 Pxc 0.6683849E+01 Qxc -0.3853708E+01 3,-1 163 3 -1 1.943480 -0.845353 3.000801 Rho 0.1431780E+00 |GRAD(Rho)| 0.2515813E-15 GRAD(Rho)x -0.1613428E-15 GRAD(Rho)y -0.1368534E-15 GRAD(Rho)z 0.1361351E-15 Laplacian 0.5667733E+00 (-1/4)Del**2(Rho)) -0.1416933E+00 Diamond 0.1091775E+01 Metallicity 0.4764284E+01 Ellipticity 0.3333063E-01 Gb(Abramov) 0.2069734E+00 Vb(Abramov) -0.2722535E+00 Hb(Abramov) -0.6528009E-01 Ex_ueg -0.5532059E-01 Ec_ueg -0.8008248E-02 Delta_ex -0.6023580E-01 Delta_ec 0.1465361E-01 Delta_et -0.1940047E+00 Pxc 0.6907951E+01 Qxc -0.4110645E+01 3,-1 164 3 -1 3.232139 3.183771 0.041784 Rho 0.2408635E+00 |GRAD(Rho)| 0.1274174E-13 GRAD(Rho)x 0.3709164E-14 GRAD(Rho)y 0.9081928E-14 GRAD(Rho)z 0.8130974E-14 Laplacian 0.8674611E+00 (-1/4)Del**2(Rho)) -0.2168653E+00 Diamond 0.3089032E+01 Metallicity 0.7407099E+01 Ellipticity 0.4208648E-02 Gb(Abramov) 0.4123006E+00 Vb(Abramov) -0.6077359E+00 Hb(Abramov) -0.1954353E+00 Ex_ueg -0.1106827E+00 Ec_ueg -0.1449883E-01 Delta_ex -0.1049465E+00 Delta_ec 0.1921611E-01 Delta_et -0.2665351E+00 Pxc 0.7633908E+01 Qxc -0.5461382E+01 3,-1 165 3 -1 -3.245656 -3.119443 0.070251 Rho 0.2413673E+00 |GRAD(Rho)| 0.3104154E-13 GRAD(Rho)x -0.2392943E-13 GRAD(Rho)y 0.5599037E-14 GRAD(Rho)z 0.1896340E-13 Laplacian 0.9002532E+00 (-1/4)Del**2(Rho)) -0.2250633E+00 Diamond 0.3188778E+01 Metallicity 0.7162189E+01 Ellipticity 0.1180077E-02 Gb(Abramov) 0.4186998E+00 Vb(Abramov) -0.6123364E+00 Hb(Abramov) -0.1936366E+00 Ex_ueg -0.1109915E+00 Ec_ueg -0.1453368E-01 Delta_ex -0.1088406E+00 Delta_ec 0.1969344E-01 Delta_et -0.2721266E+00 Pxc 0.7636845E+01 Qxc -0.5526743E+01 3,-1 166 3 -1 1.986883 2.969265 -0.830760 Rho 0.1469217E+00 |GRAD(Rho)| 0.1349183E-15 GRAD(Rho)x -0.2249720E-16 GRAD(Rho)y -0.1538212E-16 GRAD(Rho)z 0.1321371E-15 Laplacian 0.5788603E+00 (-1/4)Del**2(Rho)) -0.1447151E+00 Diamond 0.1150557E+01 Metallicity 0.4869853E+01 Ellipticity 0.3316882E-01 Gb(Abramov) 0.2139336E+00 Vb(Abramov) -0.2831521E+00 Hb(Abramov) -0.6921849E-01 Ex_ueg -0.5725756E-01 Ec_ueg -0.8246749E-02 Delta_ex -0.6191357E-01 Delta_ec 0.1487878E-01 Delta_et -0.1977480E+00 Pxc 0.6943047E+01 Qxc -0.4161200E+01 3,-1 167 3 -1 0.087298 3.211101 3.177599 Rho 0.2405274E+00 |GRAD(Rho)| 0.3319375E-14 GRAD(Rho)x -0.5460584E-15 GRAD(Rho)y -0.2613795E-14 GRAD(Rho)z -0.1971838E-14 Laplacian 0.8758404E+00 (-1/4)Del**2(Rho)) -0.2189601E+00 Diamond 0.3103696E+01 Metallicity 0.7319180E+01 Ellipticity 0.2476575E-02 Gb(Abramov) 0.4130748E+00 Vb(Abramov) -0.6071895E+00 Hb(Abramov) -0.1941147E+00 Ex_ueg -0.1104768E+00 Ec_ueg -0.1447558E-01 Delta_ex -0.1058689E+00 Delta_ec 0.1931560E-01 Delta_et -0.2674866E+00 Pxc 0.7631944E+01 Qxc -0.5481005E+01 3,-1 168 3 -1 -1.836392 -2.754405 0.606091 Rho 0.1244974E+00 |GRAD(Rho)| 0.3030517E-15 GRAD(Rho)x -0.2451788E-15 GRAD(Rho)y -0.8165398E-18 GRAD(Rho)z -0.1781209E-15 Laplacian 0.5170231E+00 (-1/4)Del**2(Rho)) -0.1292558E+00 Diamond 0.8441216E+00 Metallicity 0.4137172E+01 Ellipticity 0.1981370E-01 Gb(Abramov) 0.1752961E+00 Vb(Abramov) -0.2213364E+00 Hb(Abramov) -0.4604031E-01 Ex_ueg -0.4591261E-01 Ec_ueg -0.6831575E-02 Delta_ex -0.5315132E-01 Delta_ec 0.1387265E-01 Delta_et -0.1796965E+00 Pxc 0.6720649E+01 Qxc -0.3831375E+01 3,-1 169 3 -1 -0.392850 0.329438 0.347840 Rho 0.1940811E+00 |GRAD(Rho)| 0.4754899E-15 GRAD(Rho)x 0.3338086E-15 GRAD(Rho)y -0.2722389E-15 GRAD(Rho)z -0.2013664E-15 Laplacian 0.6365712E+00 (-1/4)Del**2(Rho)) -0.1591428E+00 Diamond 0.1952086E+01 Metallicity 0.7042685E+01 Ellipticity 0.2852497E-02 Gb(Abramov) 0.2928939E+00 Vb(Abramov) -0.4266451E+00 Hb(Abramov) -0.1337512E+00 Ex_ueg -0.8299069E-01 Ec_ueg -0.1132290E-01 Delta_ex -0.7428155E-01 Delta_ec 0.1755961E-01 Delta_et -0.2488968E+00 Pxc 0.7329454E+01 Qxc -0.4230249E+01 3,-1 170 3 -1 1.832570 2.772382 0.559660 Rho 0.1208938E+00 |GRAD(Rho)| 0.1789560E-14 GRAD(Rho)x -0.1463293E-14 GRAD(Rho)y -0.1617528E-15 GRAD(Rho)z 0.1017415E-14 Laplacian 0.5115861E+00 (-1/4)Del**2(Rho)) -0.1278965E+00 Diamond 0.8030194E+00 Metallicity 0.3981388E+01 Ellipticity 0.1347368E-01 Gb(Abramov) 0.1701320E+00 Vb(Abramov) -0.2123674E+00 Hb(Abramov) -0.4223544E-01 Ex_ueg -0.4414930E-01 Ec_ueg -0.6607260E-02 Delta_ex -0.5218195E-01 Delta_ec 0.1374439E-01 Delta_et -0.1770052E+00 Pxc 0.6681938E+01 Qxc -0.3796601E+01 3,-1 171 3 -1 -1.671104 0.496260 1.719508 Rho 0.3991038E-01 |GRAD(Rho)| 0.1329314E-12 GRAD(Rho)x 0.8864305E-13 GRAD(Rho)y 0.4094552E-13 GRAD(Rho)z -0.9020332E-13 Laplacian 0.1549442E+00 (-1/4)Del**2(Rho)) -0.3873604E-01 Diamond 0.5675518E-01 Metallicity 0.2072913E+01 Ellipticity 0.1342627E-01 Gb(Abramov) 0.3920676E-01 Vb(Abramov) -0.3967749E-01 Hb(Abramov) -0.4707268E-03 Ex_ueg -0.1007317E-01 Ec_ueg -0.1865261E-02 Delta_ex -0.1199413E-01 Delta_ec 0.4513878E-02 Delta_et -0.4482055E-01 Pxc 0.5400408E+01 Qxc -0.2657167E+01 3,-1 172 3 -1 3.135584 -3.242169 -0.095963 Rho 0.2357712E+00 |GRAD(Rho)| 0.7780306E-15 GRAD(Rho)x -0.3793623E-15 GRAD(Rho)y 0.6739401E-15 GRAD(Rho)z 0.8497435E-16 Laplacian 0.8636042E+00 (-1/4)Del**2(Rho)) -0.2159011E+00 Diamond 0.2988749E+01 Metallicity 0.7179868E+01 Ellipticity 0.1383124E-01 Gb(Abramov) 0.4022909E+00 Vb(Abramov) -0.5886807E+00 Hb(Abramov) -0.1863898E+00 Ex_ueg -0.1075737E+00 Ec_ueg -0.1414728E-01 Delta_ex -0.1038531E+00 Delta_ec 0.1916920E-01 Delta_et -0.2653164E+00 Pxc 0.7603844E+01 Qxc -0.5417707E+01 3,-1 173 3 -1 2.731337 -0.656131 -1.849070 Rho 0.1394349E+00 |GRAD(Rho)| 0.1092380E-13 GRAD(Rho)x -0.2902972E-14 GRAD(Rho)y -0.1048963E-13 GRAD(Rho)z -0.9326849E-15 Laplacian 0.5740391E+00 (-1/4)Del**2(Rho)) -0.1435098E+00 Diamond 0.1075019E+01 Metallicity 0.4500810E+01 Ellipticity 0.6282338E-02 Gb(Abramov) 0.2033249E+00 Vb(Abramov) -0.2631400E+00 Hb(Abramov) -0.5981510E-01 Ex_ueg -0.5340069E-01 Ec_ueg -0.7770662E-02 Delta_ex -0.6065839E-01 Delta_ec 0.1501358E-01 Delta_et -0.1981343E+00 Pxc 0.6872090E+01 Qxc -0.4040235E+01 3,-1 174 3 -1 1.838996 -0.646025 -3.004500 Rho 0.2368703E+00 |GRAD(Rho)| 0.1827374E-11 GRAD(Rho)x 0.1242177E-11 GRAD(Rho)y 0.1152775E-11 GRAD(Rho)z 0.6836682E-12 Laplacian 0.9069414E+00 (-1/4)Del**2(Rho)) -0.2267353E+00 Diamond 0.3126433E+01 Metallicity 0.6889985E+01 Ellipticity 0.1460886E-01 Gb(Abramov) 0.4115241E+00 Vb(Abramov) -0.5963128E+00 Hb(Abramov) -0.1847887E+00 Ex_ueg -0.1082428E+00 Ec_ueg -0.1422303E-01 Delta_ex -0.1090349E+00 Delta_ec 0.1981429E-01 Delta_et -0.2730365E+00 Pxc 0.7610390E+01 Qxc -0.5502841E+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 73 162 161 147 144 153 154 78 81 169 118 142 115 92 121 119 141 120 122 117 116 167 127 95 155 96 129 172 90 150 170 151 166 164 123 137 136 114 140 55 63 58 168 57 139 165 110 106 160 103 109 159 171 105 111 135 152 108 101 156 126 100 163 157 124 173 174 158 133 102 146 56 67 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 21 21 28 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 36 52 2.486694 1.975330 1.901319 1.959280 1.909837 1.730672 1.568439 1.543717 1.566236 1.577169 2.450221 1.914099 1.952049 1.924536 1.971298 1.730880 2.449687 1.924044 1.888249 1.987695 1.911096 1.742752 2.446124 1.927621 1.774545 2.105673 2.003391 1.750344 2.549469 1.938022 1.997903 1.841459 1.931218 1.742393 2.465851 1.819370 1.929423 1.966642 2.019496 1.746797 2.345184 1.933806 1.987679 1.908395 1.923270 1.740838 2.440320 2.197292 1.964814 1.989057 1.742623 1.744606 2.468262 1.948954 1.906809 1.937790 1.916603 1.740291 2.511564 1.935549 1.962302 1.867939 1.941242 1.741803 2.485956 1.941285 1.748637 2.164119 1.987301 1.753876 3.074567 3.101933 1.696625 2.487736 1.975880 1.901974 1.960077 1.910594 1.730686 1.568474 1.543826 1.566273 1.577180 2.451362 1.914669 1.952699 1.925333 1.972109 1.730895 2.450821 1.924487 1.888647 1.988262 1.911615 1.742754 2.447212 1.928061 1.774672 2.106230 2.003978 1.750367 2.550490 1.938433 1.998300 1.841834 1.931743 1.742402 2.466799 1.819698 1.929788 1.967213 2.020038 1.746812 2.346746 1.934332 1.988146 1.909017 1.924487 1.740848 2.441841 2.197809 1.965395 1.989831 1.742671 1.744642 2.469335 1.949356 1.907338 1.938370 1.917134 1.740293 2.512614 1.935992 1.962749 1.868402 1.941776 1.741809 2.487045 1.941680 1.748673 2.164654 1.987876 1.753910 3.090889 3.103651 1.698293 29 23 23 28 26 21 21 22 22 21 27 25 23 27 26 22 27 27 26 23 23 20 29 25 22 28 23 24 29 23 23 23 23 21 29 22 23 24 26 23 27 25 23 27 23 21 27 25 23 23 22 22 29 23 25 23 23 20 29 25 25 24 23 22 29 25 24 25 23 23 33 33 24 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Mo P Mo W W W W W Mo 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 2.3199 2.3059 2.3148 2.4746 2.3775 2.4325 2.4470 2.4499 2.2473 2.4595 2.4456 2.3367 -1.0475 -0.9883 -1.0439 -1.0530 -0.9575 -0.9902 -0.9112 -0.9719 -0.7626 -0.9650 -0.9206 -0.9300 -0.9327 -0.9260 -0.9617 -0.8299 -0.9628 -0.9596 -0.9488 -0.9789 -0.9393 -0.9404 -0.9734 -0.7078 -0.7919 -0.9811 -0.9340 -0.9380 -0.7242 -0.8344 -0.7206 -0.8083 -0.8249 -0.8077 -0.8189 -0.7923 -0.7501 -0.7998 -0.8055 0.3234 1.9526 2.5100 1.9555 2.0888 2.1225 2.0998 2.0907 2.1132 1.9956 2.0898 2.0960 2.1321 1.8959 1.8994 1.8975 1.8930 1.9325 1.9308 1.9448 1.9306 1.9682 1.9316 1.9388 1.9349 1.9353 1.9365 1.9327 1.9613 1.9442 1.9424 1.9464 1.9408 1.9420 1.9434 1.9409 1.9728 1.8780 1.9412 1.9443 1.9417 1.9754 1.9591 1.9755 1.9628 1.9605 1.9636 1.9617 1.9642 1.9696 1.9644 1.9638 0.5189 6.0827 7.3599 6.0851 6.0903 6.1147 6.1038 6.0931 6.1045 6.0869 6.0955 6.1016 6.1208 5.1123 5.0495 5.1075 5.1209 4.9955 5.0296 4.9369 5.0117 4.7586 5.0042 4.9564 4.9670 4.9695 4.9613 4.9991 4.8355 4.9883 4.9870 4.9717 5.0065 4.9678 4.9675 5.0006 4.7032 4.8836 5.0096 4.9600 4.9666 4.7157 4.8422 4.7120 4.8107 4.8307 4.8091 4.8231 4.7931 4.7494 4.8001 4.8066 0.1577 3.6447 0.8242 3.6447 3.3166 3.3566 3.3346 3.3398 3.3029 3.6703 3.3257 3.3275 3.3821 0.0393 0.0393 0.0390 0.0392 0.0295 0.0298 0.0294 0.0297 0.0358 0.0292 0.0255 0.0280 0.0279 0.0282 0.0298 0.0331 0.0302 0.0302 0.0307 0.0316 0.0296 0.0294 0.0319 0.0317 0.0303 0.0304 0.0297 0.0297 0.0331 0.0331 0.0331 0.0348 0.0337 0.0350 0.0342 0.0350 0.0310 0.0352 0.0350 0.0000 0.0000 0.0000 0.0000 14.0297 14.0287 14.0293 14.0294 14.0295 0.0000 14.0295 14.0294 14.0283 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Mo P Mo W W W W W Mo 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 3.179942 2.005578 3.180812 2.512459 2.483962 2.503549 2.497071 2.535636 3.157456 2.511167 2.508502 2.469182 -1.062209 -1.017725 -1.062601 -1.036700 -0.960337 -0.978460 -1.008156 -0.970054 -0.823544 -0.972061 -1.194760 -1.068952 -1.079260 -1.082110 -0.966290 -0.792224 -0.955793 -1.056466 -0.950456 -0.960530 -1.066500 -1.072240 -0.957429 -0.983213 -0.619390 -0.965844 -1.074874 -1.063164 -0.995697 -0.879365 -0.990930 -0.846407 -0.868297 -0.844273 -0.858685 -0.826117 -1.022231 -0.834857 -0.841748 0.064633 2.363228 1.581560 2.372521 1.937054 1.924201 1.938992 1.936194 1.970893 2.355896 1.941037 1.937997 1.932720 -0.781927 -0.772445 -0.789617 -0.748228 -0.712621 -0.724039 -0.812215 -0.720984 -0.707179 -0.727500 -0.919157 -0.824807 -0.822316 -0.822905 -0.732563 -0.661163 -0.798974 -0.852939 -0.798461 -0.783779 -0.868179 -0.863548 -0.786467 -0.774865 -0.784034 -0.797154 -0.870237 -0.866024 -0.777322 -0.786353 -0.771112 -0.751477 -0.772939 -0.743971 -0.759284 -0.714517 -0.815402 -0.736297 -0.743338 0.304044 2.455472 1.547634 2.468564 2.041402 2.015902 2.040484 2.036906 2.079510 2.454040 2.045958 2.043758 2.017070 -0.829347 -0.831014 -0.839180 -0.811201 -0.801517 -0.805324 -0.863626 -0.810090 -0.715884 -0.805934 -1.014328 -0.893783 -0.897033 -0.928404 -0.807285 -0.728844 -0.835688 -0.896519 -0.828213 -0.825820 -0.903675 -0.914542 -0.816630 -0.760790 -0.795574 -0.832114 -0.914252 -0.901113 -0.736867 -0.756369 -0.732772 -0.718572 -0.737452 -0.709353 -0.726416 -0.692070 -0.803478 -0.702417 -0.707572 0.384364 -1.49876917 -1.52850952 0.41396424 2.18037078 -19.26632348 5.50143615 2.36708563 12.20075128 1.46087877 7.06557220 -372.1860 402.5675 -54.6832 -387.5679 -42.8050 -454.6746 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 0 Apr10-2024 03:56:05 Nodes: 1 Procs: 1 Apr10-2024 03:56:06 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr10-2024 03:56:06 Nodes: 1 Procs: 1 Apr10-2024 03:56:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr10-2024 03:56:08 Nodes: 1 Procs: 1 Apr10-2024 03:56:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr10-2024 03:56:09 Nodes: 1 Procs: 1 Apr10-2024 03:56:09 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr10-2024 03:56:11 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -16.02570137 -16.47773825 -16.25823044 -16.48772078 -16.62459208 -16.65934360 -16.67802025 -16.68131470 -16.68799996 -16.69206576 -16.69724977 -16.70127988 -16.70184449 -16.70619772 -16.70727077 -16.70806602 -16.70836050 -16.70853190 -16.70871979 -16.70876701 -16.70882503 -16.70888125 -16.70890653 -16.70893649 -16.70895893 -16.70897123 -16.70897872 -16.70898339 GEOMETRY CONVERGED