ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr20-2024 18:37:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.04 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 Apr20-2024 18:37:43 Nodes: 1 Procs: 1 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr20-2024 18:37:44 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.66 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 Apr20-2024 18:37:43 Nodes: 1 Procs: 1 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 0 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr20-2024 18:37:45 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.02 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 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2741 82466.5953 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Apr20-2024 18:37:43 Nodes: 1 Procs: 1 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 0 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr20-2024 18:37:45 Nodes: 1 Procs: 1 Apr20-2024 18:37:46 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr20-2024 18:37:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.03 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 Apr20-2024 18:37:43 Nodes: 1 Procs: 1 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 0 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr20-2024 18:37:45 Nodes: 1 Procs: 1 Apr20-2024 18:37:46 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr20-2024 18:37:48 Nodes: 1 Procs: 1 Apr20-2024 18:37:48 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr20-2024 18:37:48 Hydrogen (TZP) kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 kimik2195 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 0.04 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 Apr20-2024 18:37:43 Nodes: 1 Procs: 1 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 0 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr20-2024 18:37:45 Nodes: 1 Procs: 1 Apr20-2024 18:37:46 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr20-2024 18:37:48 Nodes: 1 Procs: 1 Apr20-2024 18:37:48 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr20-2024 18:37:48 Nodes: 1 Procs: 1 Apr20-2024 18:37:49 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr20-2024 18:37:51 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2671.4061610000053 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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.Ta ADF 2019 Apr20-2024 18:37:46 1 1 Tantalum TZP 4d t21.P ADF 2019 Apr20-2024 18:37:44 1 1 Phosphorus TZP 1s t21.W ADF 2019 Apr20-2024 18:37:49 1 1 Tungsten TZP 4d t21.O ADF 2019 Apr20-2024 18:37:48 1 1 Oxygen TZP 1s t21.H ADF 2019 Apr20-2024 18:37:44 1 1 Hydrogen TZP 1 1 -16.60926586 0.28763939 0.00100000 F 0.10223189 0.00066667 F 0.28763939 0.10223189 0.25489406 0.01000000 F 0.06660524 0.00666667 F Cartesian 2671.4061610000053 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0.3187720E+03 3,-3 14 3 -3 -1.027238 -0.879127 -0.866678 Rho 0.3187877E+03 3,-3 15 3 -3 0.859091 0.865653 -0.904173 Rho 0.3187786E+03 3,-3 16 3 -3 -0.902293 0.906603 0.939745 Rho 0.3187747E+03 3,-3 17 3 -3 -3.094229 -1.140486 1.233030 Rho 0.3188620E+03 3,-3 18 3 -3 3.072174 -1.145751 -1.142985 Rho 0.3188646E+03 3,-3 19 3 -3 -3.059836 1.206613 -1.121483 Rho 0.3189039E+03 3,-3 20 3 -3 2.999754 1.199121 1.180457 Rho 0.3188669E+03 3,-3 21 3 -3 1.350739 -1.218102 -3.112826 Rho 0.3187433E+03 3,-3 22 3 -3 1.160498 1.176852 3.002790 Rho 0.3188752E+03 3,-3 23 3 -3 -1.152328 1.149720 -3.059693 Rho 0.3188683E+03 3,-3 24 3 -3 -1.244891 -1.139954 3.116887 Rho 0.3188778E+03 3,-3 25 3 -3 -1.145988 3.009600 -1.160877 Rho 0.3188578E+03 3,-3 26 3 -3 -1.257372 -3.015486 1.188962 Rho 0.3188534E+03 3,-3 27 3 -3 1.155460 3.065320 1.173691 Rho 0.3188679E+03 3,-3 28 3 -3 1.216743 -3.064294 -1.214695 Rho 0.3191219E+03 3,-3 29 3 -3 3.376261 -1.468599 1.485154 Rho 0.3189779E+03 3,-3 30 3 -3 -3.510426 -1.545984 -1.429325 Rho 0.3189238E+03 3,-3 31 3 -3 3.409872 1.520782 -1.445783 Rho 0.3189432E+03 3,-3 32 3 -3 -3.389510 1.538240 1.543051 Rho 0.3189372E+03 3,-3 33 3 -3 1.519020 -1.447199 3.450357 Rho 0.3189235E+03 3,-3 34 3 -3 1.544392 1.456474 -3.366620 Rho 0.3189362E+03 3,-3 35 3 -3 -1.512781 1.528789 3.426090 Rho 0.3189364E+03 3,-3 36 3 -3 -1.840640 -1.666087 -3.614226 Rho 0.3186825E+03 3,-3 37 3 -3 -1.551515 -3.493429 -1.416014 Rho 0.3187056E+03 3,-3 38 3 -3 -1.474214 3.391342 1.504964 Rho 0.3189481E+03 3,-3 39 3 -3 1.547318 -3.431996 1.500270 Rho 0.3189036E+03 3,-3 40 3 -3 1.500207 3.355219 -1.490366 Rho 0.3189458E+03 3,-3 41 3 -3 -0.201881 -3.814342 3.817061 Rho 0.3191666E+03 3,-3 42 3 -3 3.906144 -0.116757 -3.691700 Rho 0.3193015E+03 3,-3 43 3 -3 -0.165163 3.695887 -3.748043 Rho 0.3193096E+03 3,-3 44 3 -3 0.205503 3.741568 3.770557 Rho 0.3193100E+03 3,-3 45 3 -3 3.749788 -3.784338 -0.240448 Rho 0.3192727E+03 3,-3 46 3 -3 3.733418 3.784479 0.225438 Rho 0.3193129E+03 3,-3 47 3 -3 -3.731866 3.775566 -0.176390 Rho 0.3193005E+03 3,-3 48 3 -3 -3.841987 -3.721606 0.257285 Rho 0.3192984E+03 3,-3 49 3 -3 -3.882821 0.305906 -3.749837 Rho 0.3191624E+03 3,-3 50 3 -3 -3.796578 -0.135504 3.801741 Rho 0.3193106E+03 3,-3 51 3 -3 3.787251 0.195834 3.722792 Rho 0.3193001E+03 3,-3 52 3 -3 -1.509211 -2.362196 -2.992974 Rho 0.4524336E+00 3,-3 53 3 -3 -0.572785 -3.348669 -1.271459 Rho 0.4380029E+00 3,-3 54 3 -3 1.158942 -1.944992 -2.436636 Rho 0.4259916E+00 3,-3 55 3 +1 -2.231351 -1.025668 -1.330405 Rho 0.2437598E-01 |GRAD(Rho)| 0.8707182E-14 GRAD(Rho)x -0.1042894E-14 GRAD(Rho)y 0.5814792E-14 GRAD(Rho)z -0.6396530E-14 Laplacian 0.9478326E-01 (-1/4)Del**2(Rho)) -0.2369581E-01 Diamond 0.1120886E-01 Metallicity 0.1489881E+01 Ellipticity -0.2703562E+01 Gb(Abramov) 0.2168120E-01 Vb(Abramov) -0.1966659E-01 Hb(Abramov) 0.2014613E-02 Ex_ueg -0.5219968E-02 Ec_ueg -0.1057347E-02 Delta_ex -0.5769573E-02 Delta_ec 0.1455214E-02 Delta_et -0.1280434E-01 Pxc 0.4936853E+01 Qxc -0.3964759E+01 3,+1 56 3 +1 -2.123638 1.136777 1.283133 Rho 0.2511550E-01 |GRAD(Rho)| 0.2470944E-16 GRAD(Rho)x -0.2120628E-16 GRAD(Rho)y 0.1261412E-16 GRAD(Rho)z 0.1316709E-17 Laplacian 0.9921226E-01 (-1/4)Del**2(Rho)) -0.2480306E-01 Diamond 0.1391588E-01 Metallicity 0.1496066E+01 Ellipticity -0.5524287E+01 Gb(Abramov) 0.2271988E-01 Vb(Abramov) -0.2063670E-01 Hb(Abramov) 0.2083184E-02 Ex_ueg -0.5432179E-02 Ec_ueg -0.1094531E-02 Delta_ex -0.6270617E-02 Delta_ec 0.1848797E-02 Delta_et -0.1630029E-01 Pxc 0.4963020E+01 Qxc -0.3391729E+01 3,+1 57 3 +3 -1.155993 1.092312 -1.132055 Rho 0.4991207E-02 |GRAD(Rho)| 0.2588531E-15 GRAD(Rho)x -0.7286457E-16 GRAD(Rho)y -0.1273929E-15 GRAD(Rho)z 0.2132293E-15 Laplacian 0.2027818E-01 (-1/4)Del**2(Rho)) -0.5069544E-02 Diamond 0.1481742E-03 Metallicity 0.4953668E+00 Ellipticity -0.1590043E+00 Gb(Abramov) 0.3798243E-02 Vb(Abramov) -0.2526943E-02 Hb(Abramov) 0.1271301E-02 Ex_ueg -0.6299787E-03 Ec_ueg -0.1465344E-03 Delta_ex -0.7066824E-03 Delta_ec 0.1008033E-03 Delta_et -0.7646090E-03 Pxc 0.4299185E+01 Qxc -0.7010505E+01 3,+3 58 3 +1 -2.007472 2.024111 2.036737 Rho 0.1264558E-01 |GRAD(Rho)| 0.5076221E-14 GRAD(Rho)x 0.3186439E-14 GRAD(Rho)y -0.3288689E-14 GRAD(Rho)z -0.2190697E-14 Laplacian 0.6000916E-01 (-1/4)Del**2(Rho)) -0.1500229E-01 Diamond 0.2141075E-02 Metallicity 0.7881827E+00 Ellipticity -0.1159645E+01 Gb(Abramov) 0.1197228E-01 Vb(Abramov) -0.8942278E-02 Hb(Abramov) 0.3030006E-02 Ex_ueg -0.2175889E-02 Ec_ueg -0.4894527E-03 Delta_ex -0.2871547E-02 Delta_ec 0.5659063E-03 Delta_et -0.4456932E-02 Pxc 0.4445556E+01 Qxc -0.5074245E+01 3,+1 59 3 -1 -2.983789 1.986211 0.867414 Rho 0.1464352E+00 |GRAD(Rho)| 0.4806677E-16 GRAD(Rho)x 0.3576512E-16 GRAD(Rho)y -0.3099463E-16 GRAD(Rho)z -0.8402567E-17 Laplacian 0.5751286E+00 (-1/4)Del**2(Rho)) -0.1437822E+00 Diamond 0.1139518E+01 Metallicity 0.4874433E+01 Ellipticity 0.3169665E-01 Gb(Abramov) 0.2126642E+00 Vb(Abramov) -0.2815462E+00 Hb(Abramov) -0.6888203E-01 Ex_ueg -0.5700494E-01 Ec_ueg -0.8215709E-02 Delta_ex -0.6147403E-01 Delta_ec 0.1481187E-01 Delta_et -0.1968017E+00 Pxc 0.6938529E+01 Qxc -0.4150323E+01 3,-1 60 3 +3 0.004958 -0.056193 2.385019 Rho 0.4196853E-02 |GRAD(Rho)| 0.3921290E-17 GRAD(Rho)x -0.6212398E-18 GRAD(Rho)y -0.3826593E-17 GRAD(Rho)z -0.5897109E-18 Laplacian 0.1714842E-01 (-1/4)Del**2(Rho)) -0.4287104E-02 Diamond 0.1377326E-03 Metallicity 0.4387954E+00 Ellipticity -0.2758670E+00 Gb(Abramov) 0.3171597E-02 Vb(Abramov) -0.2056089E-02 Hb(Abramov) 0.1115508E-02 Ex_ueg -0.4999771E-03 Ec_ueg -0.1125156E-03 Delta_ex -0.6155074E-03 Delta_ec 0.1665800E-03 Delta_et -0.1011564E-02 Pxc 0.4443626E+01 Qxc -0.3694966E+01 3,+3 61 3 -1 -1.971954 2.963071 0.843257 Rho 0.1297111E+00 |GRAD(Rho)| 0.1037164E-15 GRAD(Rho)x -0.1005191E-15 GRAD(Rho)y 0.2552618E-16 GRAD(Rho)z 0.1192622E-17 Laplacian 0.5202970E+00 (-1/4)Del**2(Rho)) -0.1300743E+00 Diamond 0.8859493E+00 Metallicity 0.4402070E+01 Ellipticity 0.2506871E-01 Gb(Abramov) 0.1821488E+00 Vb(Abramov) -0.2342234E+00 Hb(Abramov) -0.5207458E-01 Ex_ueg -0.4849398E-01 Ec_ueg -0.7157676E-02 Delta_ex -0.5393862E-01 Delta_ec 0.1368666E-01 Delta_et -0.1782574E+00 Pxc 0.6775101E+01 Qxc -0.3940964E+01 3,-1 62 3 -1 -3.193457 3.197558 -0.050052 Rho 0.2413938E+00 |GRAD(Rho)| 0.5115866E-12 GRAD(Rho)x 0.3445743E-12 GRAD(Rho)y -0.3687974E-12 GRAD(Rho)z 0.8353381E-13 Laplacian 0.8779771E+00 (-1/4)Del**2(Rho)) -0.2194943E+00 Diamond 0.3122797E+01 Metallicity 0.7345256E+01 Ellipticity 0.4617470E-02 Gb(Abramov) 0.4150364E+00 Vb(Abramov) -0.6105786E+00 Hb(Abramov) -0.1955422E+00 Ex_ueg -0.1110077E+00 Ec_ueg -0.1453552E-01 Delta_ex -0.1062166E+00 Delta_ec 0.1932349E-01 Delta_et -0.2675446E+00 Pxc 0.7636999E+01 Qxc -0.5496757E+01 3,-1 63 3 +1 -2.186765 -2.180625 -2.084907 Rho 0.1079578E-01 |GRAD(Rho)| 0.2241895E-16 GRAD(Rho)x 0.1827215E-16 GRAD(Rho)y -0.1185376E-16 GRAD(Rho)z -0.5312845E-17 Laplacian 0.4628310E-01 (-1/4)Del**2(Rho)) -0.1157077E-01 Diamond 0.1469743E-02 Metallicity 0.7851407E+00 Ellipticity -0.1287491E+01 Gb(Abramov) 0.9227964E-02 Vb(Abramov) -0.6885153E-02 Hb(Abramov) 0.2342810E-02 Ex_ueg -0.1762208E-02 Ec_ueg -0.4042673E-03 Delta_ex -0.2167890E-02 Delta_ec 0.5207650E-03 Delta_et -0.3869403E-02 Pxc 0.4359016E+01 Qxc -0.4162896E+01 3,+1 64 3 +3 -0.071825 -2.390386 -0.092089 Rho 0.3828850E-02 |GRAD(Rho)| 0.3903050E-17 GRAD(Rho)x -0.1171023E-17 GRAD(Rho)y 0.1619527E-17 GRAD(Rho)z 0.3352556E-17 Laplacian 0.1550559E-01 (-1/4)Del**2(Rho)) -0.3876399E-02 Diamond 0.1055421E-03 Metallicity 0.4164587E+00 Ellipticity -0.2561041E+00 Gb(Abramov) 0.2853326E-02 Vb(Abramov) -0.1830253E-02 Hb(Abramov) 0.1023073E-02 Ex_ueg -0.4423942E-03 Ec_ueg -0.9686689E-04 Delta_ex -0.5380083E-03 Delta_ec 0.1401136E-03 Delta_et -0.8458719E-03 Pxc 0.4567033E+01 Qxc -0.3839800E+01 3,+3 65 3 +1 -1.817198 -1.746236 1.825302 Rho 0.1190091E-01 |GRAD(Rho)| 0.2069042E-16 GRAD(Rho)x 0.1475746E-16 GRAD(Rho)y -0.1122191E-16 GRAD(Rho)z 0.9185836E-17 Laplacian 0.5803596E-01 (-1/4)Del**2(Rho)) -0.1450899E-01 Diamond 0.2252449E-02 Metallicity 0.7365736E+00 Ellipticity -0.1258826E+01 Gb(Abramov) 0.1145382E-01 Vb(Abramov) -0.8398643E-02 Hb(Abramov) 0.3055174E-02 Ex_ueg -0.2006743E-02 Ec_ueg -0.4549965E-03 Delta_ex -0.2832827E-02 Delta_ec 0.7289083E-03 Delta_et -0.5473351E-02 Pxc 0.4410459E+01 Qxc -0.3886397E+01 3,+1 66 3 +1 0.057912 -2.963453 0.077034 Rho 0.4409045E-02 |GRAD(Rho)| 0.2307129E-15 GRAD(Rho)x 0.1479222E-15 GRAD(Rho)y 0.4338947E-16 GRAD(Rho)z 0.1716531E-15 Laplacian 0.1743031E-01 (-1/4)Del**2(Rho)) -0.4357577E-02 Diamond 0.3143494E-03 Metallicity 0.4686863E+00 Ellipticity -0.2035571E+01 Gb(Abramov) 0.3245441E-02 Vb(Abramov) -0.2133305E-02 Hb(Abramov) 0.1112136E-02 Ex_ueg -0.5339629E-03 Ec_ueg -0.1215709E-03 Delta_ex -0.8142830E-03 Delta_ec 0.4921712E-03 Delta_et -0.2596891E-02 Pxc 0.4392193E+01 Qxc -0.1654471E+01 3,+1 67 3 +3 0.942103 -1.150525 -1.230427 Rho 0.4093453E-02 |GRAD(Rho)| 0.1060840E-13 GRAD(Rho)x 0.1054741E-13 GRAD(Rho)y 0.6213021E-15 GRAD(Rho)z 0.9509266E-15 Laplacian 0.1687741E-01 (-1/4)Del**2(Rho)) -0.4219351E-02 Diamond 0.1314611E-03 Metallicity 0.4276848E+00 Ellipticity -0.5449753E+00 Gb(Abramov) 0.3113660E-02 Vb(Abramov) -0.2007968E-02 Hb(Abramov) 0.1105692E-02 Ex_ueg -0.4836205E-03 Ec_ueg -0.1081114E-03 Delta_ex -0.6024921E-03 Delta_ec 0.1648358E-03 Delta_et -0.9936695E-03 Pxc 0.4473353E+01 Qxc -0.3655104E+01 3,+3 68 3 +1 -0.565539 -0.576633 1.734982 Rho 0.7905468E-02 |GRAD(Rho)| 0.1116801E-14 GRAD(Rho)x -0.3017983E-15 GRAD(Rho)y 0.9695265E-15 GRAD(Rho)z -0.4649518E-15 Laplacian 0.3191339E-01 (-1/4)Del**2(Rho)) -0.7978348E-02 Diamond 0.7949540E-03 Metallicity 0.6774120E+00 Ellipticity -0.1420292E+01 Gb(Abramov) 0.6219670E-02 Vb(Abramov) -0.4460992E-02 Hb(Abramov) 0.1758678E-02 Ex_ueg -0.1163113E-02 Ec_ueg -0.2740128E-03 Delta_ex -0.1444162E-02 Delta_ec 0.4791866E-03 Delta_et -0.3179811E-02 Pxc 0.4244739E+01 Qxc -0.3013778E+01 3,+1 69 3 +1 -0.296202 -0.517898 -3.076021 Rho 0.3122366E-02 |GRAD(Rho)| 0.1362818E-16 GRAD(Rho)x -0.8640583E-17 GRAD(Rho)y -0.1031474E-16 GRAD(Rho)z -0.2161840E-17 Laplacian 0.1139871E-01 (-1/4)Del**2(Rho)) -0.2849679E-02 Diamond 0.1069178E-03 Metallicity 0.4032400E+00 Ellipticity -0.1443481E+01 Gb(Abramov) 0.2091303E-02 Vb(Abramov) -0.1332928E-02 Hb(Abramov) 0.7583755E-03 Ex_ueg -0.3370519E-03 Ec_ueg -0.6702759E-04 Delta_ex -0.4594350E-03 Delta_ec 0.2522074E-03 Delta_et -0.1232560E-02 Pxc 0.5028554E+01 Qxc -0.1821656E+01 3,+1 70 3 +1 -1.758146 -0.502678 0.617813 Rho 0.8672134E-02 |GRAD(Rho)| 0.8378075E-17 GRAD(Rho)x -0.7725701E-17 GRAD(Rho)y 0.1128885E-17 GRAD(Rho)z 0.3038306E-17 Laplacian 0.3581428E-01 (-1/4)Del**2(Rho)) -0.8953569E-02 Diamond 0.1012371E-02 Metallicity 0.7043150E+00 Ellipticity -0.1433268E+01 Gb(Abramov) 0.7020068E-02 Vb(Abramov) -0.5086568E-02 Hb(Abramov) 0.1933501E-02 Ex_ueg -0.1315890E-02 Ec_ueg -0.3082088E-03 Delta_ex -0.1658744E-02 Delta_ec 0.5381438E-03 Delta_et -0.3658400E-02 Pxc 0.4269478E+01 Qxc -0.3082342E+01 3,+1 71 3 +1 -0.613142 -1.683861 0.570485 Rho 0.8755812E-02 |GRAD(Rho)| 0.5922432E-16 GRAD(Rho)x 0.5754028E-16 GRAD(Rho)y -0.1254487E-16 GRAD(Rho)z -0.6266006E-17 Laplacian 0.3596256E-01 (-1/4)Del**2(Rho)) -0.8990639E-02 Diamond 0.1044958E-02 Metallicity 0.7127272E+00 Ellipticity -0.1460058E+01 Gb(Abramov) 0.7061739E-02 Vb(Abramov) -0.5132838E-02 Hb(Abramov) 0.1928901E-02 Ex_ueg -0.1332847E-02 Ec_ueg -0.3119570E-03 Delta_ex -0.1676228E-02 Delta_ec 0.5521646E-03 Delta_et -0.3754221E-02 Pxc 0.4272535E+01 Qxc -0.3035740E+01 3,+1 72 3 -1 -2.196356 -0.968659 -3.115290 Rho 0.1347816E+00 |GRAD(Rho)| 0.4806687E-15 GRAD(Rho)x -0.7745269E-16 GRAD(Rho)y 0.4587259E-15 GRAD(Rho)z 0.1208885E-15 Laplacian 0.5281823E+00 (-1/4)Del**2(Rho)) -0.1320456E+00 Diamond 0.9808372E+00 Metallicity 0.4622538E+01 Ellipticity 0.1107032E+00 Gb(Abramov) 0.1897613E+00 Vb(Abramov) -0.2474771E+00 Hb(Abramov) -0.5771576E-01 Ex_ueg -0.5103788E-01 Ec_ueg -0.7476557E-02 Delta_ex -0.5571442E-01 Delta_ec 0.1456795E-01 Delta_et -0.1924782E+00 Pxc 0.6826389E+01 Qxc -0.3824450E+01 3,-1 73 3 +1 -2.972345 -0.109653 -0.086449 Rho 0.4884748E-02 |GRAD(Rho)| 0.8534366E-16 GRAD(Rho)x -0.5912037E-16 GRAD(Rho)y -0.5939648E-16 GRAD(Rho)z -0.1613627E-16 Laplacian 0.1982917E-01 (-1/4)Del**2(Rho)) -0.4957293E-02 Diamond 0.4339610E-03 Metallicity 0.4887037E+00 Ellipticity -0.2735752E+01 Gb(Abramov) 0.3708636E-02 Vb(Abramov) -0.2459980E-02 Hb(Abramov) 0.1248656E-02 Ex_ueg -0.6121267E-03 Ec_ueg -0.1419564E-03 Delta_ex -0.9678798E-03 Delta_ec 0.6001434E-03 Delta_et -0.3246365E-02 Pxc 0.4312075E+01 Qxc -0.1612748E+01 3,+1 74 3 +3 -1.154480 -1.096883 1.185083 Rho 0.4871897E-02 |GRAD(Rho)| 0.6281061E-17 GRAD(Rho)x 0.2672017E-18 GRAD(Rho)y 0.2564549E-17 GRAD(Rho)z 0.5727427E-17 Laplacian 0.1955471E-01 (-1/4)Del**2(Rho)) -0.4888677E-02 Diamond 0.1384268E-03 Metallicity 0.4933918E+00 Ellipticity -0.1560833E+00 Gb(Abramov) 0.3661124E-02 Vb(Abramov) -0.2433570E-02 Hb(Abramov) 0.1227554E-02 Ex_ueg -0.6099803E-03 Ec_ueg -0.1414042E-03 Delta_ex -0.6771364E-03 Delta_ec 0.9753354E-04 Delta_et -0.7356778E-03 Pxc 0.4313737E+01 Qxc -0.6942601E+01 3,+3 75 3 +1 -0.336706 -1.213093 -2.545526 Rho 0.3422877E-02 |GRAD(Rho)| 0.5105404E-14 GRAD(Rho)x -0.2505075E-14 GRAD(Rho)y -0.2960340E-15 GRAD(Rho)z 0.4438707E-14 Laplacian 0.1315565E-01 (-1/4)Del**2(Rho)) -0.3288914E-02 Diamond 0.1165028E-03 Metallicity 0.4072111E+00 Ellipticity -0.1251312E+01 Gb(Abramov) 0.2415823E-02 Vb(Abramov) -0.1542732E-02 Hb(Abramov) 0.8730909E-03 Ex_ueg -0.3809841E-03 Ec_ueg -0.7968722E-04 Delta_ex -0.5047008E-03 Delta_ec 0.2275821E-03 Delta_et -0.1179880E-02 Pxc 0.4780994E+01 Qxc -0.2217664E+01 3,+1 76 3 +1 -1.772074 1.727014 -1.772632 Rho 0.1147845E-01 |GRAD(Rho)| 0.7752326E-14 GRAD(Rho)x 0.5751050E-14 GRAD(Rho)y 0.5080814E-14 GRAD(Rho)z -0.1099692E-14 Laplacian 0.5550653E-01 (-1/4)Del**2(Rho)) -0.1387663E-01 Diamond 0.2075710E-02 Metallicity 0.7251170E+00 Ellipticity -0.1270604E+01 Gb(Abramov) 0.1092812E-01 Vb(Abramov) -0.7979605E-02 Hb(Abramov) 0.2948514E-02 Ex_ueg -0.1912330E-02 Ec_ueg -0.4355464E-03 Delta_ex -0.2691440E-02 Delta_ec 0.7111677E-03 Delta_et -0.5282127E-02 Pxc 0.4390646E+01 Qxc -0.3784537E+01 3,+1 77 3 -1 -1.697522 1.679156 0.509122 Rho 0.4081117E-01 |GRAD(Rho)| 0.1024827E-15 GRAD(Rho)x -0.2289890E-16 GRAD(Rho)y -0.2017188E-16 GRAD(Rho)z 0.9783368E-16 Laplacian 0.1585387E+00 (-1/4)Del**2(Rho)) -0.3963466E-01 Diamond 0.5984756E-01 Metallicity 0.2102696E+01 Ellipticity 0.1413191E-01 Gb(Abramov) 0.4031305E-01 Vb(Abramov) -0.4099143E-01 Hb(Abramov) -0.6783839E-03 Ex_ueg -0.1037744E-01 Ec_ueg -0.1913629E-02 Delta_ex -0.1234000E-01 Delta_ec 0.4616470E-02 Delta_et -0.4611376E-01 Pxc 0.5422913E+01 Qxc -0.2673038E+01 3,-1 78 3 +3 -1.846005 1.849651 1.871869 Rho 0.1233733E-01 |GRAD(Rho)| 0.2695520E-16 GRAD(Rho)x 0.7461477E-17 GRAD(Rho)y -0.2500333E-16 GRAD(Rho)z 0.6763333E-17 Laplacian 0.5687287E-01 (-1/4)Del**2(Rho)) -0.1421822E-01 Diamond 0.1275309E-02 Metallicity 0.7981352E+00 Ellipticity -0.6797340E+00 Gb(Abramov) 0.1137015E-01 Vb(Abramov) -0.8522092E-02 Hb(Abramov) 0.2848062E-02 Ex_ueg -0.2105457E-02 Ec_ueg -0.4751635E-03 Delta_ex -0.2512002E-02 Delta_ec 0.1952826E-03 Delta_et -0.1885207E-02 Pxc 0.4431017E+01 Qxc -0.1286342E+02 3,+3 79 3 +1 -0.568318 1.665403 -0.514904 Rho 0.8840442E-02 |GRAD(Rho)| 0.9829087E-17 GRAD(Rho)x -0.8815212E-17 GRAD(Rho)y -0.7063831E-18 GRAD(Rho)z 0.4289991E-17 Laplacian 0.3670754E-01 (-1/4)Del**2(Rho)) -0.9176885E-02 Diamond 0.1051955E-02 Metallicity 0.7095470E+00 Ellipticity -0.1420902E+01 Gb(Abramov) 0.7203162E-02 Vb(Abramov) -0.5229439E-02 Hb(Abramov) 0.1973723E-02 Ex_ueg -0.1350052E-02 Ec_ueg -0.3157509E-03 Delta_ex -0.1702598E-02 Delta_ec 0.5413387E-03 Delta_et -0.3706352E-02 Pxc 0.4275685E+01 Qxc -0.3145162E+01 3,+1 80 3 +1 -1.250713 2.120525 1.132669 Rho 0.2608657E-01 |GRAD(Rho)| 0.4720024E-16 GRAD(Rho)x -0.6724485E-17 GRAD(Rho)y -0.3360755E-16 GRAD(Rho)z -0.3245268E-16 Laplacian 0.1043218E+00 (-1/4)Del**2(Rho)) -0.2608044E-01 Diamond 0.1529403E-01 Metallicity 0.1515654E+01 Ellipticity -0.5252678E+01 Gb(Abramov) 0.2397512E-01 Vb(Abramov) -0.2186979E-01 Hb(Abramov) 0.2105328E-02 Ex_ueg -0.5714012E-02 Ec_ueg -0.1143576E-02 Delta_ex -0.6647342E-02 Delta_ec 0.1921735E-02 Delta_et -0.1710988E-01 Pxc 0.4996619E+01 Qxc -0.3459031E+01 3,+1 81 3 +1 -0.611025 0.512038 -1.688757 Rho 0.8526176E-02 |GRAD(Rho)| 0.1160120E-16 GRAD(Rho)x -0.1008777E-16 GRAD(Rho)y 0.5158192E-17 GRAD(Rho)z 0.2493586E-17 Laplacian 0.3560112E-01 (-1/4)Del**2(Rho)) -0.8900281E-02 Diamond 0.1012299E-02 Metallicity 0.6887686E+00 Ellipticity -0.1446533E+01 Gb(Abramov) 0.6955226E-02 Vb(Abramov) -0.5010171E-02 Hb(Abramov) 0.1945055E-02 Ex_ueg -0.1286444E-02 Ec_ueg -0.3016783E-03 Delta_ex -0.1655076E-02 Delta_ec 0.5584956E-03 Delta_et -0.3761976E-02 Pxc 0.4264291E+01 Qxc -0.2963454E+01 3,+1 82 3 -1 -0.401400 0.345016 0.374150 Rho 0.1935114E+00 |GRAD(Rho)| 0.2250674E-15 GRAD(Rho)x -0.3140690E-16 GRAD(Rho)y 0.1836531E-15 GRAD(Rho)z 0.1262556E-15 Laplacian 0.6323551E+00 (-1/4)Del**2(Rho)) -0.1580888E+00 Diamond 0.1935783E+01 Metallicity 0.7054988E+01 Ellipticity 0.4563148E-02 Gb(Abramov) 0.2912782E+00 Vb(Abramov) -0.4244677E+00 Hb(Abramov) -0.1331895E+00 Ex_ueg -0.8266602E-01 Ec_ueg -0.1128497E-01 Delta_ex -0.7376059E-01 Delta_ec 0.1750004E-01 Delta_et -0.2480786E+00 Pxc 0.7325318E+01 Qxc -0.4214881E+01 3,-1 83 3 +1 -1.264570 1.123737 2.155697 Rho 0.2520775E-01 |GRAD(Rho)| 0.4856678E-16 GRAD(Rho)x -0.1533219E-16 GRAD(Rho)y 0.2047166E-16 GRAD(Rho)z 0.4128640E-16 Laplacian 0.9959928E-01 (-1/4)Del**2(Rho)) -0.2489982E-01 Diamond 0.1381553E-01 Metallicity 0.1499387E+01 Ellipticity -0.4832041E+01 Gb(Abramov) 0.2282229E-01 Vb(Abramov) -0.2074476E-01 Hb(Abramov) 0.2077530E-02 Ex_ueg -0.5458799E-02 Ec_ueg -0.1099180E-02 Delta_ex -0.6276969E-02 Delta_ec 0.1812823E-02 Delta_et -0.1600679E-01 Pxc 0.4966248E+01 Qxc -0.3462539E+01 3,+1 84 3 +1 0.067141 -0.093196 2.970982 Rho 0.4805398E-02 |GRAD(Rho)| 0.2634973E-15 GRAD(Rho)x 0.1789816E-15 GRAD(Rho)y -0.1927295E-15 GRAD(Rho)z 0.1586583E-16 Laplacian 0.1931322E-01 (-1/4)Del**2(Rho)) -0.4828305E-02 Diamond 0.4327729E-03 Metallicity 0.4882484E+00 Ellipticity -0.3316489E+01 Gb(Abramov) 0.3611772E-02 Vb(Abramov) -0.2395239E-02 Hb(Abramov) 0.1216533E-02 Ex_ueg -0.5989045E-03 Ec_ueg -0.1385479E-03 Delta_ex -0.9585977E-03 Delta_ec 0.6182778E-03 Delta_et -0.3313850E-02 Pxc 0.4322724E+01 Qxc -0.1550432E+01 3,+1 85 3 -1 -0.577536 1.758183 -2.804965 Rho 0.1648903E+00 |GRAD(Rho)| 0.5725691E-15 GRAD(Rho)x 0.3225501E-17 GRAD(Rho)y 0.5381166E-15 GRAD(Rho)z 0.1955901E-15 Laplacian 0.6895524E+00 (-1/4)Del**2(Rho)) -0.1723881E+00 Diamond 0.1556506E+01 Metallicity 0.4954934E+01 Ellipticity 0.1260412E-01 Gb(Abramov) 0.2572873E+00 Vb(Abramov) -0.3421866E+00 Hb(Abramov) -0.8489924E-01 Ex_ueg -0.6677983E-01 Ec_ueg -0.9403426E-02 Delta_ex -0.7572567E-01 Delta_ec 0.1694072E-01 Delta_et -0.2279459E+00 Pxc 0.7101649E+01 Qxc -0.4470038E+01 3,-1 86 3 -1 -0.489938 1.685041 1.713259 Rho 0.4325187E-01 |GRAD(Rho)| 0.9558617E-16 GRAD(Rho)x -0.1590707E-16 GRAD(Rho)y -0.7117872E-16 GRAD(Rho)z 0.6178407E-16 Laplacian 0.1713037E+00 (-1/4)Del**2(Rho)) -0.4282593E-01 Diamond 0.7068959E-01 Metallicity 0.2143817E+01 Ellipticity 0.2048214E-01 Gb(Abramov) 0.4385245E-01 Vb(Abramov) -0.4487897E-01 Hb(Abramov) -0.1026518E-02 Ex_ueg -0.1121308E-01 Ec_ueg -0.2045406E-02 Delta_ex -0.1356550E-01 Delta_ec 0.5052207E-02 Delta_et -0.5126419E-01 Pxc 0.5482081E+01 Qxc -0.2685064E+01 3,-1 87 3 -1 0.458360 1.632366 -1.687191 Rho 0.4468593E-01 |GRAD(Rho)| 0.1081387E-15 GRAD(Rho)x -0.4879333E-17 GRAD(Rho)y -0.1076435E-15 GRAD(Rho)z 0.9113227E-17 Laplacian 0.1755932E+00 (-1/4)Del**2(Rho)) -0.4389829E-01 Diamond 0.7592710E-01 Metallicity 0.2208294E+01 Ellipticity 0.1150699E-01 Gb(Abramov) 0.4542225E-01 Vb(Abramov) -0.4694621E-01 Hb(Abramov) -0.1523960E-02 Ex_ueg -0.1171151E-01 Ec_ueg -0.2123309E-02 Delta_ex -0.1402811E-01 Delta_ec 0.5193718E-02 Delta_et -0.5316148E-01 Pxc 0.5515688E+01 Qxc -0.2700977E+01 3,-1 88 3 +3 0.006809 2.324629 0.021745 Rho 0.4424640E-02 |GRAD(Rho)| 0.4666894E-17 GRAD(Rho)x 0.3833757E-17 GRAD(Rho)y 0.2626852E-17 GRAD(Rho)z 0.4264484E-18 Laplacian 0.1840016E-01 (-1/4)Del**2(Rho)) -0.4600040E-02 Diamond 0.1526063E-03 Metallicity 0.4466028E+00 Ellipticity -0.2915899E+00 Gb(Abramov) 0.3409092E-02 Vb(Abramov) -0.2218144E-02 Hb(Abramov) 0.1190948E-02 Ex_ueg -0.5364826E-03 Ec_ueg -0.1222374E-03 Delta_ex -0.6625688E-03 Delta_ec 0.1667245E-03 Delta_et -0.1041564E-02 Pxc 0.4388860E+01 Qxc -0.3974034E+01 3,+3 89 3 +1 0.533211 1.702046 0.528840 Rho 0.7953533E-02 |GRAD(Rho)| 0.1497343E-16 GRAD(Rho)x -0.1199611E-16 GRAD(Rho)y -0.3320506E-17 GRAD(Rho)z 0.8322940E-17 Laplacian 0.3288810E-01 (-1/4)Del**2(Rho)) -0.8222026E-02 Diamond 0.8250311E-03 Metallicity 0.6640098E+00 Ellipticity -0.1397465E+01 Gb(Abramov) 0.6391268E-02 Vb(Abramov) -0.4560511E-02 Hb(Abramov) 0.1830758E-02 Ex_ueg -0.1172551E-02 Ec_ueg -0.2761489E-03 Delta_ex -0.1490020E-02 Delta_ec 0.4929428E-03 Delta_et -0.3276992E-02 Pxc 0.4246084E+01 Qxc -0.3022703E+01 3,+1 90 3 +1 1.745171 1.792846 1.761265 Rho 0.1254407E-01 |GRAD(Rho)| 0.1637952E-15 GRAD(Rho)x 0.5281094E-16 GRAD(Rho)y 0.6477889E-16 GRAD(Rho)z -0.1408672E-15 Laplacian 0.6292615E-01 (-1/4)Del**2(Rho)) -0.1573154E-01 Diamond 0.2644812E-02 Metallicity 0.7416169E+00 Ellipticity -0.1255826E+01 Gb(Abramov) 0.1243215E-01 Vb(Abramov) -0.9132770E-02 Hb(Abramov) 0.3299384E-02 Ex_ueg -0.2152632E-02 Ec_ueg -0.4847432E-03 Delta_ex -0.3120074E-02 Delta_ec 0.7998597E-03 Delta_et -0.6075561E-02 Pxc 0.4440768E+01 Qxc -0.3900776E+01 3,+1 91 3 +1 2.105702 1.152553 -1.179797 Rho 0.2274835E-01 |GRAD(Rho)| 0.1093889E-10 GRAD(Rho)x 0.6796692E-11 GRAD(Rho)y -0.3913616E-11 GRAD(Rho)z -0.7625483E-11 Laplacian 0.8913122E-01 (-1/4)Del**2(Rho)) -0.2228281E-01 Diamond 0.1115159E-01 Metallicity 0.1411995E+01 Ellipticity -0.5504684E+01 Gb(Abramov) 0.2009907E-01 Vb(Abramov) -0.1791534E-01 Hb(Abramov) 0.2183734E-02 Ex_ueg -0.4760489E-02 Ec_ueg -0.9760291E-03 Delta_ex -0.5518489E-02 Delta_ec 0.1713498E-02 Delta_et -0.1471836E-01 Pxc 0.4877405E+01 Qxc -0.3220599E+01 3,+1 92 3 -1 0.573351 1.805410 2.777652 Rho 0.1535057E+00 |GRAD(Rho)| 0.4316568E-15 GRAD(Rho)x -0.3702279E-15 GRAD(Rho)y 0.2062966E-15 GRAD(Rho)z 0.8185726E-16 Laplacian 0.6466793E+00 (-1/4)Del**2(Rho)) -0.1616698E+00 Diamond 0.1340539E+01 Metallicity 0.4689555E+01 Ellipticity 0.1948363E-01 Gb(Abramov) 0.2341398E+00 Vb(Abramov) -0.3066098E+00 Hb(Abramov) -0.7246998E-01 Ex_ueg -0.6070405E-01 Ec_ueg -0.8668305E-02 Delta_ex -0.6977742E-01 Delta_ec 0.1619578E-01 Delta_et -0.2160009E+00 Pxc 0.7002990E+01 Qxc -0.4308372E+01 3,-1 93 3 -1 -0.050929 3.131181 -3.193960 Rho 0.2422996E+00 |GRAD(Rho)| 0.9540061E-13 GRAD(Rho)x 0.1394013E-13 GRAD(Rho)y -0.6752108E-13 GRAD(Rho)z 0.6593825E-13 Laplacian 0.8868105E+00 (-1/4)Del**2(Rho)) -0.2217026E+00 Diamond 0.3164053E+01 Metallicity 0.7317626E+01 Ellipticity 0.2753828E-02 Gb(Abramov) 0.4181912E+00 Vb(Abramov) -0.6146799E+00 Hb(Abramov) -0.1964886E+00 Ex_ueg -0.1115635E+00 Ec_ueg -0.1459822E-01 Delta_ex -0.1073671E+00 Delta_ec 0.1945471E-01 Delta_et -0.2692072E+00 Pxc 0.7642263E+01 Qxc -0.5518824E+01 3,-1 94 3 +1 -0.093406 2.957265 0.104768 Rho 0.5277846E-02 |GRAD(Rho)| 0.1494095E-16 GRAD(Rho)x -0.1062563E-16 GRAD(Rho)y 0.2455288E-17 GRAD(Rho)z 0.1021271E-16 Laplacian 0.2165476E-01 (-1/4)Del**2(Rho)) -0.5413690E-02 Diamond 0.5710980E-03 Metallicity 0.5091210E+00 Ellipticity -0.5110780E+01 Gb(Abramov) 0.4068497E-02 Vb(Abramov) -0.2723304E-02 Hb(Abramov) 0.1345193E-02 Ex_ueg -0.6786732E-03 Ec_ueg -0.1588892E-03 Delta_ex -0.1112200E-02 Delta_ec 0.7251150E-03 Delta_et -0.3985061E-02 Pxc 0.4271362E+01 Qxc -0.1533826E+01 3,+1 95 3 -1 0.567802 2.799916 1.817101 Rho 0.1391115E+00 |GRAD(Rho)| 0.1682534E-15 GRAD(Rho)x 0.1208614E-15 GRAD(Rho)y -0.4885008E-16 GRAD(Rho)z -0.1063738E-15 Laplacian 0.5819625E+00 (-1/4)Del**2(Rho)) -0.1454906E+00 Diamond 0.1082849E+01 Metallicity 0.4422388E+01 Ellipticity 0.8868476E-02 Gb(Abramov) 0.2042297E+00 Vb(Abramov) -0.2629688E+00 Hb(Abramov) -0.5873911E-01 Ex_ueg -0.5323566E-01 Ec_ueg -0.7750182E-02 Delta_ex -0.6141725E-01 Delta_ec 0.1515123E-01 Delta_et -0.1997199E+00 Pxc 0.6868956E+01 Qxc -0.4053615E+01 3,-1 96 3 -1 0.064600 3.186217 3.213338 Rho 0.2424628E+00 |GRAD(Rho)| 0.2242895E-15 GRAD(Rho)x 0.1343055E-15 GRAD(Rho)y 0.1322727E-15 GRAD(Rho)z -0.1215391E-15 Laplacian 0.8855368E+00 (-1/4)Del**2(Rho)) -0.2213842E+00 Diamond 0.3164707E+01 Metallicity 0.7336380E+01 Ellipticity 0.3654040E-02 Gb(Abramov) 0.4182826E+00 Vb(Abramov) -0.6151810E+00 Hb(Abramov) -0.1968984E+00 Ex_ueg -0.1116637E+00 Ec_ueg -0.1460953E-01 Delta_ex -0.1072457E+00 Delta_ec 0.1944759E-01 Delta_et -0.2692250E+00 Pxc 0.7643210E+01 Qxc -0.5514600E+01 3,-1 97 3 -1 0.259862 -1.094034 -1.867125 Rho 0.5468122E-02 |GRAD(Rho)| 0.1924210E-14 GRAD(Rho)x -0.1426048E-15 GRAD(Rho)y 0.1875245E-14 GRAD(Rho)z -0.4070722E-15 Laplacian 0.2196281E-01 (-1/4)Del**2(Rho)) -0.5490702E-02 Diamond 0.6943361E-03 Metallicity 0.5325033E+00 Ellipticity 0.5391223E+00 Gb(Abramov) 0.4147771E-02 Vb(Abramov) -0.2804840E-02 Hb(Abramov) 0.1342931E-02 Ex_ueg -0.7114908E-03 Ec_ueg -0.1671133E-03 Delta_ex -0.1207260E-02 Delta_ec 0.8632469E-03 Delta_et -0.4747104E-02 Pxc 0.4257536E+01 Qxc -0.1398511E+01 3,-1 98 3 +1 0.418968 -0.813410 -1.776788 Rho 0.5320505E-02 |GRAD(Rho)| 0.9055741E-17 GRAD(Rho)x 0.6698337E-17 GRAD(Rho)y 0.3137410E-17 GRAD(Rho)z -0.5224499E-17 Laplacian 0.2186807E-01 (-1/4)Del**2(Rho)) -0.5467017E-02 Diamond 0.4923244E-03 Metallicity 0.5109647E+00 Ellipticity -0.2006716E+01 Gb(Abramov) 0.4110253E-02 Vb(Abramov) -0.2753490E-02 Hb(Abramov) 0.1356764E-02 Ex_ueg -0.6859970E-03 Ec_ueg -0.1607314E-03 Delta_ex -0.1047376E-02 Delta_ec 0.5938835E-03 Delta_et -0.3324007E-02 Pxc 0.4267971E+01 Qxc -0.1763605E+01 3,+1 99 3 +1 1.662853 0.520094 0.550525 Rho 0.7880143E-02 |GRAD(Rho)| 0.1806823E-15 GRAD(Rho)x -0.8466147E-16 GRAD(Rho)y 0.7826197E-16 GRAD(Rho)z -0.1391172E-15 Laplacian 0.3260902E-01 (-1/4)Del**2(Rho)) -0.8152255E-02 Diamond 0.8281833E-03 Metallicity 0.6594253E+00 Ellipticity -0.1418755E+01 Gb(Abramov) 0.6330804E-02 Vb(Abramov) -0.4509353E-02 Hb(Abramov) 0.1821451E-02 Ex_ueg -0.1158148E-02 Ec_ueg -0.2728877E-03 Delta_ex -0.1484308E-02 Delta_ec 0.5072024E-03 Delta_et -0.3349167E-02 Pxc 0.4244044E+01 Qxc -0.2926460E+01 3,+1 100 3 +1 0.542538 0.491675 1.690242 Rho 0.8455347E-02 |GRAD(Rho)| 0.5306020E-14 GRAD(Rho)x 0.1568824E-14 GRAD(Rho)y 0.3176930E-14 GRAD(Rho)z 0.3949653E-14 Laplacian 0.3554123E-01 (-1/4)Del**2(Rho)) -0.8885306E-02 Diamond 0.9806424E-03 Metallicity 0.6804034E+00 Ellipticity -0.1415870E+01 Gb(Abramov) 0.6931136E-02 Vb(Abramov) -0.4976966E-02 Hb(Abramov) 0.1954170E-02 Ex_ueg -0.1272214E-02 Ec_ueg -0.2985126E-03 Delta_ex -0.1640329E-02 Delta_ec 0.5422932E-03 Delta_et -0.3655973E-02 Pxc 0.4261845E+01 Qxc -0.3024801E+01 3,+1 101 3 -1 0.306609 0.328886 -0.371723 Rho 0.1965253E+00 |GRAD(Rho)| 0.8312307E-16 GRAD(Rho)x -0.6373407E-16 GRAD(Rho)y -0.4094925E-16 GRAD(Rho)z -0.3421361E-16 Laplacian 0.6565058E+00 (-1/4)Del**2(Rho)) -0.1641265E+00 Diamond 0.2046476E+01 Metallicity 0.6972772E+01 Ellipticity 0.6289229E-02 Gb(Abramov) 0.3001537E+00 Vb(Abramov) -0.4361809E+00 Hb(Abramov) -0.1360272E+00 Ex_ueg -0.8438717E-01 Ec_ueg -0.1148583E-01 Delta_ex -0.7686423E-01 Delta_ec 0.1808683E-01 Delta_et -0.2568966E+00 Pxc 0.7347069E+01 Qxc -0.4249735E+01 3,-1 102 3 +1 1.324579 1.014006 -2.096715 Rho 0.2493055E-01 |GRAD(Rho)| 0.1330407E-16 GRAD(Rho)x -0.1096345E-16 GRAD(Rho)y -0.6776405E-17 GRAD(Rho)z -0.3298694E-17 Laplacian 0.9819675E-01 (-1/4)Del**2(Rho)) -0.2454919E-01 Diamond 0.1319988E-01 Metallicity 0.1493032E+01 Ellipticity -0.4262502E+01 Gb(Abramov) 0.2247491E-01 Vb(Abramov) -0.2040064E-01 Hb(Abramov) 0.2074276E-02 Ex_ueg -0.5378908E-02 Ec_ueg -0.1085218E-02 Delta_ex -0.6147019E-02 Delta_ec 0.1745327E-02 Delta_et -0.1537737E-01 Pxc 0.4956523E+01 Qxc -0.3521986E+01 3,+1 103 3 +3 1.089656 1.099032 1.083654 Rho 0.4643522E-02 |GRAD(Rho)| 0.5260215E-17 GRAD(Rho)x -0.1586625E-17 GRAD(Rho)y 0.3863448E-17 GRAD(Rho)z 0.3197851E-17 Laplacian 0.1920431E-01 (-1/4)Del**2(Rho)) -0.4801077E-02 Diamond 0.1343618E-03 Metallicity 0.4637605E+00 Ellipticity -0.2097595E+00 Gb(Abramov) 0.3571810E-02 Vb(Abramov) -0.2342542E-02 Hb(Abramov) 0.1229267E-02 Ex_ueg -0.5721569E-03 Ec_ueg -0.1316045E-03 Delta_ex -0.6635349E-03 Delta_ec 0.1086850E-03 Delta_et -0.7793245E-03 Pxc 0.4347547E+01 Qxc -0.6105118E+01 3,+3 104 3 +3 1.838008 1.787011 -1.798922 Rho 0.1208031E-01 |GRAD(Rho)| 0.1054179E-16 GRAD(Rho)x -0.6994575E-17 GRAD(Rho)y -0.9390022E-18 GRAD(Rho)z -0.7830932E-17 Laplacian 0.5526328E-01 (-1/4)Del**2(Rho)) -0.1381582E-01 Diamond 0.1153174E-02 Metallicity 0.7930610E+00 Ellipticity -0.6079494E+00 Gb(Abramov) 0.1103668E-01 Vb(Abramov) -0.8257536E-02 Hb(Abramov) 0.2779142E-02 Ex_ueg -0.2047179E-02 Ec_ueg -0.4632776E-03 Delta_ex -0.2411433E-02 Delta_ec 0.1642218E-03 Delta_et -0.1656923E-02 Pxc 0.4418903E+01 Qxc -0.1468400E+02 3,+3 105 3 +1 1.259033 2.079393 -1.077827 Rho 0.2483303E-01 |GRAD(Rho)| 0.7785242E-15 GRAD(Rho)x 0.5295544E-15 GRAD(Rho)y 0.5326310E-15 GRAD(Rho)z 0.2048810E-15 Laplacian 0.9781280E-01 (-1/4)Del**2(Rho)) -0.2445320E-01 Diamond 0.1330653E-01 Metallicity 0.1489134E+01 Ellipticity -0.4843866E+01 Gb(Abramov) 0.2237115E-01 Vb(Abramov) -0.2028910E-01 Hb(Abramov) 0.2082052E-02 Ex_ueg -0.5350874E-02 Ec_ueg -0.1080311E-02 Delta_ex -0.6141714E-02 Delta_ec 0.1783294E-02 Delta_et -0.1568646E-01 Pxc 0.4953086E+01 Qxc -0.3444027E+01 3,+1 106 3 -1 1.796256 2.812399 0.593279 Rho 0.1454178E+00 |GRAD(Rho)| 0.3017340E-15 GRAD(Rho)x -0.2657108E-15 GRAD(Rho)y 0.1061637E-15 GRAD(Rho)z 0.9576216E-16 Laplacian 0.6117352E+00 (-1/4)Del**2(Rho)) -0.1529338E+00 Diamond 0.1195995E+01 Metallicity 0.4529801E+01 Ellipticity 0.1334937E-01 Gb(Abramov) 0.2174158E+00 Vb(Abramov) -0.2818978E+00 Hb(Abramov) -0.6448201E-01 Ex_ueg -0.5647747E-01 Ec_ueg -0.8150837E-02 Delta_ex -0.6521375E-01 Delta_ec 0.1567142E-01 Delta_et -0.2077699E+00 Pxc 0.6929040E+01 Qxc -0.4161316E+01 3,-1 107 3 +1 2.032601 1.988735 -1.996694 Rho 0.1257923E-01 |GRAD(Rho)| 0.3557330E-17 GRAD(Rho)x -0.2711457E-17 GRAD(Rho)y 0.1390160E-17 GRAD(Rho)z 0.1835772E-17 Laplacian 0.5981835E-01 (-1/4)Del**2(Rho)) -0.1495459E-01 Diamond 0.2170809E-02 Metallicity 0.7837946E+00 Ellipticity -0.1174789E+01 Gb(Abramov) 0.1192328E-01 Vb(Abramov) -0.8891972E-02 Hb(Abramov) 0.3031309E-02 Ex_ueg -0.2160681E-02 Ec_ueg -0.4863740E-03 Delta_ex -0.2872374E-02 Delta_ec 0.5892943E-03 Delta_et -0.4609956E-02 Pxc 0.4442426E+01 Qxc -0.4874260E+01 3,+1 108 3 -1 1.972611 2.966052 -0.825814 Rho 0.1481877E+00 |GRAD(Rho)| 0.4413202E-15 GRAD(Rho)x 0.1481969E-15 GRAD(Rho)y -0.1751258E-15 GRAD(Rho)z 0.3770042E-15 Laplacian 0.5886155E+00 (-1/4)Del**2(Rho)) -0.1471539E+00 Diamond 0.1177947E+01 Metallicity 0.4858122E+01 Ellipticity 0.3369040E-01 Gb(Abramov) 0.2172512E+00 Vb(Abramov) -0.2873485E+00 Hb(Abramov) -0.7009730E-01 Ex_ueg -0.5791637E-01 Ec_ueg -0.8327603E-02 Delta_ex -0.6304767E-01 Delta_ec 0.1502311E-01 Delta_et -0.1997454E+00 Pxc 0.6954747E+01 Qxc -0.4196713E+01 3,-1 109 3 -1 2.766364 1.829912 0.596469 Rho 0.1524131E+00 |GRAD(Rho)| 0.2919843E-15 GRAD(Rho)x 0.8694624E-16 GRAD(Rho)y 0.2774202E-15 GRAD(Rho)z -0.2707795E-16 Laplacian 0.6414930E+00 (-1/4)Del**2(Rho)) -0.1603732E+00 Diamond 0.1324340E+01 Metallicity 0.4671524E+01 Ellipticity 0.1140391E-01 Gb(Abramov) 0.2317801E+00 Vb(Abramov) -0.3031869E+00 Hb(Abramov) -0.7140682E-01 Ex_ueg -0.6012867E-01 Ec_ueg -0.8598168E-02 Delta_ex -0.6915353E-01 Delta_ec 0.1619760E-01 Delta_et -0.2160634E+00 Pxc 0.6993195E+01 Qxc -0.4269370E+01 3,-1 110 3 -1 2.983668 1.996000 -0.802084 Rho 0.1457881E+00 |GRAD(Rho)| 0.7729942E-15 GRAD(Rho)x -0.3148930E-15 GRAD(Rho)y 0.5673223E-15 GRAD(Rho)z 0.4201283E-15 Laplacian 0.5815394E+00 (-1/4)Del**2(Rho)) -0.1453848E+00 Diamond 0.1143616E+01 Metallicity 0.4785245E+01 Ellipticity 0.2708476E-01 Gb(Abramov) 0.2128736E+00 Vb(Abramov) -0.2803623E+00 Hb(Abramov) -0.6748875E-01 Ex_ueg -0.5666930E-01 Ec_ueg -0.8174440E-02 Delta_ex -0.6206622E-01 Delta_ec 0.1494726E-01 Delta_et -0.1983715E+00 Pxc 0.6932500E+01 Qxc -0.4152349E+01 3,-1 111 3 -1 1.663224 1.682274 -0.479852 Rho 0.3501028E-01 |GRAD(Rho)| 0.8381989E-15 GRAD(Rho)x 0.5817697E-15 GRAD(Rho)y 0.5344053E-15 GRAD(Rho)z 0.2802365E-15 Laplacian 0.1338236E+00 (-1/4)Del**2(Rho)) -0.3345589E-01 Diamond 0.4053756E-01 Metallicity 0.1929330E+01 Ellipticity 0.2937980E-01 Gb(Abramov) 0.3306184E-01 Vb(Abramov) -0.3266779E-01 Hb(Abramov) 0.3940525E-03 Ex_ueg -0.8458874E-02 Ec_ueg -0.1604823E-02 Delta_ex -0.9995139E-02 Delta_ec 0.3842245E-02 Delta_et -0.3682229E-01 Pxc 0.5270909E+01 Qxc -0.2601380E+01 3,-1 112 3 -1 3.183229 3.222669 0.089134 Rho 0.2434043E+00 |GRAD(Rho)| 0.1131677E-13 GRAD(Rho)x -0.7926711E-14 GRAD(Rho)y -0.7872500E-14 GRAD(Rho)z -0.1805603E-14 Laplacian 0.8765401E+00 (-1/4)Del**2(Rho)) -0.2191350E+00 Diamond 0.3157105E+01 Metallicity 0.7459709E+01 Ellipticity 0.2085554E-02 Gb(Abramov) 0.4185373E+00 Vb(Abramov) -0.6179395E+00 Hb(Abramov) -0.1994022E+00 Ex_ueg -0.1122422E+00 Ec_ueg -0.1467476E-01 Delta_ex -0.1063155E+00 Delta_ec 0.1932008E-01 Delta_et -0.2679067E+00 Pxc 0.7648655E+01 Qxc -0.5502850E+01 3,-1 113 3 -1 -3.295623 0.088766 -3.218691 Rho 0.2199625E+00 |GRAD(Rho)| 0.2309645E-15 GRAD(Rho)x -0.8294147E-16 GRAD(Rho)y -0.3062871E-16 GRAD(Rho)z -0.2133710E-15 Laplacian 0.8208496E+00 (-1/4)Del**2(Rho)) -0.2052124E+00 Diamond 0.2609436E+01 Metallicity 0.6728690E+01 Ellipticity 0.5296071E-02 Gb(Abramov) 0.3669434E+00 Vb(Abramov) -0.5286743E+00 Hb(Abramov) -0.1617310E+00 Ex_ueg -0.9806555E-01 Ec_ueg -0.1306498E-01 Delta_ex -0.9692627E-01 Delta_ec 0.1854971E-01 Delta_et -0.2557369E+00 Pxc 0.7505983E+01 Qxc -0.5225218E+01 3,-1 114 3 +3 -2.439270 0.045888 0.081797 Rho 0.4412315E-02 |GRAD(Rho)| 0.5373225E-17 GRAD(Rho)x 0.5307856E-17 GRAD(Rho)y -0.9726775E-19 GRAD(Rho)z -0.8299097E-18 Laplacian 0.1829765E-01 (-1/4)Del**2(Rho)) -0.4574412E-02 Diamond 0.1659694E-03 Metallicity 0.4470218E+00 Ellipticity -0.3079977E+00 Gb(Abramov) 0.3390418E-02 Vb(Abramov) -0.2206425E-02 Hb(Abramov) 0.1183994E-02 Ex_ueg -0.5344909E-03 Ec_ueg -0.1217106E-03 Delta_ex -0.6746296E-03 Delta_ec 0.1947574E-03 Delta_et -0.1174704E-02 Pxc 0.4391490E+01 Qxc -0.3463949E+01 3,+3 115 3 +3 -0.283739 -0.547194 -2.671096 Rho 0.2985904E-02 |GRAD(Rho)| 0.1693215E-17 GRAD(Rho)x -0.1072979E-17 GRAD(Rho)y -0.9800171E-18 GRAD(Rho)z 0.8690558E-18 Laplacian 0.1122909E-01 (-1/4)Del**2(Rho)) -0.2807272E-02 Diamond 0.7427870E-04 Metallicity 0.3799516E+00 Ellipticity -0.5971194E+00 Gb(Abramov) 0.2049286E-02 Vb(Abramov) -0.1291300E-02 Hb(Abramov) 0.7579862E-03 Ex_ueg -0.3175554E-03 Ec_ueg -0.6129514E-04 Delta_ex -0.4025363E-03 Delta_ec 0.1663242E-03 Delta_et -0.8508120E-03 Pxc 0.5180760E+01 Qxc -0.2420192E+01 3,+3 116 3 -1 -1.701268 0.491095 1.735186 Rho 0.3864376E-01 |GRAD(Rho)| 0.8376085E-16 GRAD(Rho)x -0.5255522E-16 GRAD(Rho)y -0.2106539E-16 GRAD(Rho)z 0.6172583E-16 Laplacian 0.1488013E+00 (-1/4)Del**2(Rho)) -0.3720033E-01 Diamond 0.5197713E-01 Metallicity 0.2045528E+01 Ellipticity 0.1414477E-01 Gb(Abramov) 0.3748260E-01 Vb(Abramov) -0.3776488E-01 Hb(Abramov) -0.2822744E-03 Ex_ueg -0.9649191E-02 Ec_ueg -0.1797501E-02 Delta_ex -0.1141516E-01 Delta_ec 0.4315369E-02 Delta_et -0.4247785E-01 Pxc 0.5368115E+01 Qxc -0.2645235E+01 3,-1 117 3 -1 -2.032405 -3.023828 -0.772068 Rho 0.1365092E+00 |GRAD(Rho)| 0.2051564E-15 GRAD(Rho)x -0.1160096E-16 GRAD(Rho)y 0.1515918E-15 GRAD(Rho)z -0.1377479E-15 Laplacian 0.4969940E+00 (-1/4)Del**2(Rho)) -0.1242485E+00 Diamond 0.9239547E+00 Metallicity 0.5018014E+01 Ellipticity 0.9974883E-01 Gb(Abramov) 0.1867458E+00 Vb(Abramov) -0.2492431E+00 Hb(Abramov) -0.6249729E-01 Ex_ueg -0.5191198E-01 Ec_ueg -0.7585584E-02 Delta_ex -0.5243565E-01 Delta_ec 0.1340059E-01 Delta_et -0.1769291E+00 Pxc 0.6843505E+01 Qxc -0.3912937E+01 3,-1 118 3 -1 -1.888359 -2.772809 0.600499 Rho 0.1492324E+00 |GRAD(Rho)| 0.1967303E-15 GRAD(Rho)x -0.1571009E-15 GRAD(Rho)y 0.3192298E-16 GRAD(Rho)z -0.1140310E-15 Laplacian 0.6266618E+00 (-1/4)Del**2(Rho)) -0.1566654E+00 Diamond 0.1261373E+01 Metallicity 0.4616914E+01 Ellipticity 0.1629769E-01 Gb(Abramov) 0.2249955E+00 Vb(Abramov) -0.2933255E+00 Hb(Abramov) -0.6833001E-01 Ex_ueg -0.5846140E-01 Ec_ueg -0.8394395E-02 Delta_ex -0.6720520E-01 Delta_ec 0.1590658E-01 Delta_et -0.2115655E+00 Pxc 0.6964338E+01 Qxc -0.4224993E+01 3,-1 119 3 -1 -1.787791 -1.664305 -0.453241 Rho 0.4340845E-01 |GRAD(Rho)| 0.1099329E-15 GRAD(Rho)x -0.1019150E-15 GRAD(Rho)y -0.4117258E-16 GRAD(Rho)z 0.1840391E-17 Laplacian 0.1708630E+00 (-1/4)Del**2(Rho)) -0.4271576E-01 Diamond 0.7106580E-01 Metallicity 0.2162331E+01 Ellipticity 0.2473225E-01 Gb(Abramov) 0.4387144E-01 Vb(Abramov) -0.4502712E-01 Hb(Abramov) -0.1155680E-02 Ex_ueg -0.1126724E-01 Ec_ueg -0.2053895E-02 Delta_ex -0.1355378E-01 Delta_ec 0.5058663E-02 Delta_et -0.5138247E-01 Pxc 0.5485790E+01 Qxc -0.2679321E+01 3,-1 120 3 -1 -1.803767 2.763136 -0.570120 Rho 0.1346324E+00 |GRAD(Rho)| 0.8536832E-12 GRAD(Rho)x 0.6239058E-12 GRAD(Rho)y 0.1986567E-12 GRAD(Rho)z -0.5477700E-12 Laplacian 0.5614643E+00 (-1/4)Del**2(Rho)) -0.1403661E+00 Diamond 0.1002614E+01 Metallicity 0.4340505E+01 Ellipticity 0.1039989E-01 Gb(Abramov) 0.1951207E+00 Vb(Abramov) -0.2498753E+00 Hb(Abramov) -0.5475459E-01 Ex_ueg -0.5096255E-01 Ec_ueg -0.7467148E-02 Delta_ex -0.5876484E-01 Delta_ec 0.1469617E-01 Delta_et -0.1926627E+00 Pxc 0.6824902E+01 Qxc -0.3998649E+01 3,-1 121 3 +1 1.686324 -0.557095 -0.536364 Rho 0.8032501E-02 |GRAD(Rho)| 0.1050885E-14 GRAD(Rho)x -0.3433279E-15 GRAD(Rho)y 0.9361798E-15 GRAD(Rho)z -0.3317405E-15 Laplacian 0.3343987E-01 (-1/4)Del**2(Rho)) -0.8359968E-02 Diamond 0.8616842E-03 Metallicity 0.6638957E+00 Ellipticity -0.1407042E+01 Gb(Abramov) 0.6498336E-02 Vb(Abramov) -0.4636705E-02 Hb(Abramov) 0.1861632E-02 Ex_ueg -0.1188099E-02 Ec_ueg -0.2796606E-03 Delta_ex -0.1524400E-02 Delta_ec 0.5113121E-03 Delta_et -0.3400074E-02 Pxc 0.4248362E+01 Qxc -0.2981349E+01 3,+1 122 3 +1 1.985401 -2.021534 2.021364 Rho 0.1189272E-01 |GRAD(Rho)| 0.4280105E-15 GRAD(Rho)x -0.2799067E-15 GRAD(Rho)y 0.2245885E-15 GRAD(Rho)z -0.2332493E-15 Laplacian 0.5266125E-01 (-1/4)Del**2(Rho)) -0.1316531E-01 Diamond 0.1691390E-02 Metallicity 0.8108193E+00 Ellipticity -0.1186330E+01 Gb(Abramov) 0.1055599E-01 Vb(Abramov) -0.7946668E-02 Hb(Abramov) 0.2609323E-02 Ex_ueg -0.2004903E-02 Ec_ueg -0.4546189E-03 Delta_ex -0.2467495E-02 Delta_ec 0.4783716E-03 Delta_et -0.3737535E-02 Pxc 0.4410074E+01 Qxc -0.5158114E+01 3,+1 123 3 -1 0.453888 -1.714525 1.692949 Rho 0.3769884E-01 |GRAD(Rho)| 0.7590052E-16 GRAD(Rho)x -0.2891866E-16 GRAD(Rho)y 0.5845332E-16 GRAD(Rho)z 0.3883053E-16 Laplacian 0.1569889E+00 (-1/4)Del**2(Rho)) -0.3924723E-01 Diamond 0.5812110E-01 Metallicity 0.1860477E+01 Ellipticity 0.1390090E-01 Gb(Abramov) 0.3833458E-01 Vb(Abramov) -0.3742193E-01 Hb(Abramov) 0.9126514E-03 Ex_ueg -0.9335891E-02 Ec_ueg -0.1747146E-02 Delta_ex -0.1228976E-01 Delta_ec 0.5125413E-02 Delta_et -0.5016104E-01 Pxc 0.5343508E+01 Qxc -0.2397810E+01 3,-1 124 3 -1 0.035991 -3.245414 -1.254985 Rho 0.3319290E-01 |GRAD(Rho)| 0.5383400E-17 GRAD(Rho)x 0.4178523E-17 GRAD(Rho)y 0.2794831E-17 GRAD(Rho)z -0.1926100E-17 Laplacian 0.1022779E+00 (-1/4)Del**2(Rho)) -0.2556947E-01 Diamond 0.4623352E-01 Metallicity 0.2309794E+01 Ellipticity 0.2219511E-02 Gb(Abramov) 0.2688969E-01 Vb(Abramov) -0.2820990E-01 Hb(Abramov) -0.1320213E-02 Ex_ueg -0.7878531E-02 Ec_ueg -0.1509446E-02 Delta_ex -0.8835595E-02 Delta_ec 0.5252030E-02 Delta_et -0.4961126E-01 Pxc 0.5219485E+01 Qxc -0.1682320E+01 3,-1 125 3 -1 0.856036 -3.013630 1.997491 Rho 0.1174631E+00 |GRAD(Rho)| 0.2432161E-15 GRAD(Rho)x -0.1324082E-16 GRAD(Rho)y -0.7264832E-16 GRAD(Rho)z 0.2317347E-15 Laplacian 0.4892136E+00 (-1/4)Del**2(Rho)) -0.1223034E+00 Diamond 0.7627321E+00 Metallicity 0.3968413E+01 Ellipticity 0.1227593E-01 Gb(Abramov) 0.1624273E+00 Vb(Abramov) -0.2025513E+00 Hb(Abramov) -0.4012393E-01 Ex_ueg -0.4248675E-01 Ec_ueg -0.6394540E-02 Delta_ex -0.4984852E-01 Delta_ec 0.1374805E-01 Delta_et -0.1769740E+00 Pxc 0.6644223E+01 Qxc -0.3625862E+01 3,-1 126 3 +1 1.041833 -1.317166 2.136820 Rho 0.2259789E-01 |GRAD(Rho)| 0.3891128E-16 GRAD(Rho)x 0.1173772E-16 GRAD(Rho)y -0.7174516E-17 GRAD(Rho)z -0.3639835E-16 Laplacian 0.8442326E-01 (-1/4)Del**2(Rho)) -0.2110582E-01 Diamond 0.9354511E-02 Metallicity 0.1474339E+01 Ellipticity -0.3284843E+01 Gb(Abramov) 0.1925673E-01 Vb(Abramov) -0.1740765E-01 Hb(Abramov) 0.1849084E-02 Ex_ueg -0.4718552E-02 Ec_ueg -0.9685488E-03 Delta_ex -0.5079769E-02 Delta_ec 0.1376208E-02 Delta_et -0.1186618E-01 Pxc 0.4871776E+01 Qxc -0.3691134E+01 3,+1 127 3 -1 1.196423 -2.303538 -2.028896 Rho 0.5038275E-01 |GRAD(Rho)| 0.7534942E-14 GRAD(Rho)x -0.2479385E-14 GRAD(Rho)y 0.6613209E-14 GRAD(Rho)z -0.2625543E-14 Laplacian 0.1294723E+00 (-1/4)Del**2(Rho)) -0.3236806E-01 Diamond 0.1055494E+00 Metallicity 0.3657965E+01 Ellipticity 0.8656290E-02 Gb(Abramov) 0.4131225E-01 Vb(Abramov) -0.5025644E-01 Hb(Abramov) -0.8944187E-02 Ex_ueg -0.1374340E-01 Ec_ueg -0.2436042E-02 Delta_ex -0.1235149E-01 Delta_ec 0.6845989E-02 Delta_et -0.7320334E-01 Pxc 0.5641693E+01 Qxc -0.1804193E+01 3,-1 128 3 +1 0.375869 -1.769134 -0.708811 Rho 0.6716203E-02 |GRAD(Rho)| 0.3073016E-16 GRAD(Rho)x 0.1875670E-16 GRAD(Rho)y 0.1162637E-16 GRAD(Rho)z 0.2138589E-16 Laplacian 0.2713977E-01 (-1/4)Del**2(Rho)) -0.6784944E-02 Diamond 0.7461081E-03 Metallicity 0.6070343E+00 Ellipticity -0.1898237E+01 Gb(Abramov) 0.5209745E-02 Vb(Abramov) -0.3634546E-02 Hb(Abramov) 0.1575199E-02 Ex_ueg -0.9358727E-03 Ec_ueg -0.2214995E-03 Delta_ex -0.1307858E-02 Delta_ec 0.6361324E-03 Delta_et -0.3858254E-02 Pxc 0.4225168E+01 Qxc -0.2055953E+01 3,+1 129 3 +1 1.024243 -2.156077 1.327801 Rho 0.2345116E-01 |GRAD(Rho)| 0.2720010E-16 GRAD(Rho)x -0.5067354E-17 GRAD(Rho)y 0.2633703E-16 GRAD(Rho)z -0.4530826E-17 Laplacian 0.8901904E-01 (-1/4)Del**2(Rho)) -0.2225476E-01 Diamond 0.1043554E-01 Metallicity 0.1487320E+01 Ellipticity -0.3361653E+01 Gb(Abramov) 0.2035316E-01 Vb(Abramov) -0.1845157E-01 Hb(Abramov) 0.1901597E-02 Ex_ueg -0.4957594E-02 Ec_ueg -0.1011053E-02 Delta_ex -0.5416174E-02 Delta_ec 0.1462824E-02 Delta_et -0.1272436E-01 Pxc 0.4903395E+01 Qxc -0.3702548E+01 3,+1 130 3 +1 0.324526 -1.495109 -1.646447 Rho 0.5168721E-02 |GRAD(Rho)| 0.9043473E-17 GRAD(Rho)x 0.6003770E-17 GRAD(Rho)y -0.5421011E-17 GRAD(Rho)z 0.4043735E-17 Laplacian 0.2064554E-01 (-1/4)Del**2(Rho)) -0.5161384E-02 Diamond 0.4408488E-03 Metallicity 0.5157337E+00 Ellipticity -0.1997522E+01 Gb(Abramov) 0.3884573E-02 Vb(Abramov) -0.2607761E-02 Hb(Abramov) 0.1276812E-02 Ex_ueg -0.6600283E-03 Ec_ueg -0.1541808E-03 Delta_ex -0.9774959E-03 Delta_ec 0.5508623E-03 Delta_et -0.3061574E-02 Pxc 0.4280873E+01 Qxc -0.1774483E+01 3,+1 131 3 -1 0.117683 -1.954995 -1.008780 Rho 0.7108644E-02 |GRAD(Rho)| 0.4102519E-17 GRAD(Rho)x 0.1287490E-17 GRAD(Rho)y 0.3890634E-17 GRAD(Rho)z -0.1897354E-18 Laplacian 0.2761053E-01 (-1/4)Del**2(Rho)) -0.6902632E-02 Diamond 0.1186822E-02 Metallicity 0.6559183E+00 Ellipticity 0.8370596E+00 Gb(Abramov) 0.5356348E-02 Vb(Abramov) -0.3810065E-02 Hb(Abramov) 0.1546283E-02 Ex_ueg -0.1009487E-02 Ec_ueg -0.2387553E-03 Delta_ex -0.1560670E-02 Delta_ec 0.1028013E-02 Delta_et -0.6142312E-02 Pxc 0.4228125E+01 Qxc -0.1518142E+01 3,-1 132 3 -1 1.626131 -1.751283 0.446634 Rho 0.3761085E-01 |GRAD(Rho)| 0.1016084E-12 GRAD(Rho)x 0.6515167E-13 GRAD(Rho)y -0.7027702E-13 GRAD(Rho)z -0.3377390E-13 Laplacian 0.1452543E+00 (-1/4)Del**2(Rho)) -0.3631358E-01 Diamond 0.4928312E-01 Metallicity 0.2002962E+01 Ellipticity 0.1258819E-01 Gb(Abramov) 0.3633151E-01 Vb(Abramov) -0.3634943E-01 Hb(Abramov) -0.1792702E-04 Ex_ueg -0.9306848E-02 Ec_ueg -0.1742466E-02 Delta_ex -0.1109234E-01 Delta_ec 0.4256071E-02 Delta_et -0.4159282E-01 Pxc 0.5341194E+01 Qxc -0.2606240E+01 3,-1 133 3 -1 1.202829 -1.781162 -2.586828 Rho 0.3034080E+00 |GRAD(Rho)| 0.6638887E-15 GRAD(Rho)x -0.8113940E-17 GRAD(Rho)y -0.6635084E-15 GRAD(Rho)z 0.2094988E-16 Laplacian -0.1494017E+01 (-1/4)Del**2(Rho)) 0.3735042E+00 Diamond 0.5037098E+01 Metallicity -0.6318820E+01 Ellipticity 0.3780723E-02 Gb(Abramov) 0.1443482E+00 Vb(Abramov) -0.6622006E+00 Hb(Abramov) -0.5178524E+00 Ex_ueg -0.1505755E+00 Ec_ueg -0.1893254E-01 Delta_ex 0.1451523E+00 Delta_ec 0.5310105E-01 Delta_et -0.1229769E+01 Pxc 0.7953264E+01 Qxc 0.2733511E+01 3,-1 134 3 +1 1.901377 -1.787498 -1.748900 Rho 0.1465910E-01 |GRAD(Rho)| 0.9085762E-16 GRAD(Rho)x -0.5242118E-16 GRAD(Rho)y -0.6726119E-16 GRAD(Rho)z 0.3135377E-16 Laplacian 0.6958076E-01 (-1/4)Del**2(Rho)) -0.1739519E-01 Diamond 0.3674259E-02 Metallicity 0.8695662E+00 Ellipticity -0.1391990E+01 Gb(Abramov) 0.1411784E-01 Vb(Abramov) -0.1084049E-01 Hb(Abramov) 0.3277352E-02 Ex_ueg -0.2649687E-02 Ec_ueg -0.5836727E-03 Delta_ex -0.3607963E-02 Delta_ec 0.9047212E-03 Delta_et -0.7119635E-02 Pxc 0.4539680E+01 Qxc -0.3987928E+01 3,+1 135 3 +1 2.086370 -1.345498 1.024407 Rho 0.2362145E-01 |GRAD(Rho)| 0.1226899E-16 GRAD(Rho)x -0.8465065E-17 GRAD(Rho)y -0.3834294E-17 GRAD(Rho)z -0.8010552E-17 Laplacian 0.9139342E-01 (-1/4)Del**2(Rho)) -0.2284835E-01 Diamond 0.1104479E-01 Metallicity 0.1466254E+01 Ellipticity -0.3473056E+01 Gb(Abramov) 0.2081582E-01 Vb(Abramov) -0.1878328E-01 Hb(Abramov) 0.2032536E-02 Ex_ueg -0.5005651E-02 Ec_ueg -0.1019560E-02 Delta_ex -0.5597601E-02 Delta_ec 0.1548613E-02 Delta_et -0.1348134E-01 Pxc 0.4909619E+01 Qxc -0.3614591E+01 3,+1 136 3 -1 0.841763 -1.968632 3.024798 Rho 0.1139809E+00 |GRAD(Rho)| 0.2033037E-13 GRAD(Rho)x 0.1952046E-13 GRAD(Rho)y -0.5672139E-14 GRAD(Rho)z 0.3198803E-15 Laplacian 0.4760092E+00 (-1/4)Del**2(Rho)) -0.1190023E+00 Diamond 0.7162879E+00 Metallicity 0.3878987E+01 Ellipticity 0.4301569E-02 Gb(Abramov) 0.1562696E+00 Vb(Abramov) -0.1935369E+00 Hb(Abramov) -0.3726728E-01 Ex_ueg -0.4081578E-01 Ec_ueg -0.6179486E-02 Delta_ex -0.4816903E-01 Delta_ec 0.1348214E-01 Delta_et -0.1725960E+00 Pxc 0.6605044E+01 Qxc -0.3572803E+01 3,-1 137 3 +3 1.808305 -1.862669 1.848997 Rho 0.1159818E-01 |GRAD(Rho)| 0.1996639E-16 GRAD(Rho)x 0.1402768E-16 GRAD(Rho)y 0.1280838E-16 GRAD(Rho)z -0.6150284E-17 Laplacian 0.4995009E-01 (-1/4)Del**2(Rho)) -0.1248752E-01 Diamond 0.9899143E-03 Metallicity 0.8198354E+00 Ellipticity -0.6191685E+00 Gb(Abramov) 0.1003130E-01 Vb(Abramov) -0.7575079E-02 Hb(Abramov) 0.2456222E-02 Ex_ueg -0.1938972E-02 Ec_ueg -0.4410516E-03 Delta_ex -0.2155042E-02 Delta_ec 0.1514806E-03 Delta_et -0.1515037E-02 Pxc 0.4396248E+01 Qxc -0.1422652E+02 3,+3 138 3 +1 2.964879 -0.058591 0.098283 Rho 0.5053157E-02 |GRAD(Rho)| 0.6817538E-17 GRAD(Rho)x 0.1048812E-17 GRAD(Rho)y -0.5015838E-17 GRAD(Rho)z -0.4496686E-17 Laplacian 0.2071623E-01 (-1/4)Del**2(Rho)) -0.5179058E-02 Diamond 0.5211275E-03 Metallicity 0.4949641E+00 Ellipticity -0.4663453E+01 Gb(Abramov) 0.3879946E-02 Vb(Abramov) -0.2580835E-02 Hb(Abramov) 0.1299111E-02 Ex_ueg -0.6404257E-03 Ec_ueg -0.1492011E-03 Delta_ex -0.1060575E-02 Delta_ec 0.7031865E-03 Delta_et -0.3810506E-02 Pxc 0.4292367E+01 Qxc -0.1508242E+01 3,+1 139 3 -1 2.770019 -1.842423 -0.591705 Rho 0.1227295E+00 |GRAD(Rho)| 0.4247297E-15 GRAD(Rho)x -0.1241750E-15 GRAD(Rho)y -0.1891526E-15 GRAD(Rho)z 0.3594401E-15 Laplacian 0.5096261E+00 (-1/4)Del**2(Rho)) -0.1274065E+00 Diamond 0.8187514E+00 Metallicity 0.4098360E+01 Ellipticity 0.1728159E-01 Gb(Abramov) 0.1719640E+00 Vb(Abramov) -0.2165214E+00 Hb(Abramov) -0.4455745E-01 Ex_ueg -0.4504541E-01 Ec_ueg -0.6721419E-02 Delta_ex -0.5222379E-01 Delta_ec 0.1374074E-01 Delta_et -0.1775852E+00 Pxc 0.6701771E+01 Qxc -0.3800654E+01 3,-1 140 3 -1 2.926148 -2.010110 0.794188 Rho 0.1006198E+00 |GRAD(Rho)| 0.2466842E-15 GRAD(Rho)x -0.1735401E-16 GRAD(Rho)y 0.1162773E-15 GRAD(Rho)z 0.2168675E-15 Laplacian 0.4015065E+00 (-1/4)Del**2(Rho)) -0.1003766E+00 Diamond 0.5019987E+00 Metallicity 0.3735882E+01 Ellipticity 0.6154357E-02 Gb(Abramov) 0.1294170E+00 Vb(Abramov) -0.1584573E+00 Hb(Abramov) -0.2904034E-01 Ex_ueg -0.3456446E-01 Ec_ueg -0.5362614E-02 Delta_ex -0.3916558E-01 Delta_ec 0.1114740E-01 Delta_et -0.1386019E+00 Pxc 0.6445450E+01 Qxc -0.3513427E+01 3,-1 141 3 +3 2.314022 -0.011617 0.029702 Rho 0.4183810E-02 |GRAD(Rho)| 0.1949421E-13 GRAD(Rho)x -0.1949055E-13 GRAD(Rho)y -0.2255735E-15 GRAD(Rho)z -0.3033701E-15 Laplacian 0.1740810E-01 (-1/4)Del**2(Rho)) -0.4352025E-02 Diamond 0.1343315E-03 Metallicity 0.4300131E+00 Ellipticity -0.3088067E+00 Gb(Abramov) 0.3213254E-02 Vb(Abramov) -0.2074484E-02 Hb(Abramov) 0.1138770E-02 Ex_ueg -0.4979063E-03 Ec_ueg -0.1119597E-03 Delta_ex -0.6185708E-03 Delta_ec 0.1588037E-03 Delta_et -0.9773162E-03 Pxc 0.4447193E+01 Qxc -0.3895191E+01 3,+3 142 3 -1 2.981306 -0.858239 1.964611 Rho 0.1721008E+00 |GRAD(Rho)| 0.2085375E-14 GRAD(Rho)x -0.3606327E-16 GRAD(Rho)y -0.1868270E-14 GRAD(Rho)z 0.9257731E-15 Laplacian 0.6760633E+00 (-1/4)Del**2(Rho)) -0.1690158E+00 Diamond 0.1612406E+01 Metallicity 0.5427466E+01 Ellipticity 0.5110831E-01 Gb(Abramov) 0.2655652E+00 Vb(Abramov) -0.3621145E+00 Hb(Abramov) -0.9654935E-01 Ex_ueg -0.7070153E-01 Ec_ueg -0.9872987E-02 Delta_ex -0.7509146E-01 Delta_ec 0.1651329E-01 Delta_et -0.2235429E+00 Pxc 0.7161109E+01 Qxc -0.4547336E+01 3,-1 143 3 -1 1.674122 -0.534535 1.678063 Rho 0.3681794E-01 |GRAD(Rho)| 0.2611116E-13 GRAD(Rho)x 0.2123601E-13 GRAD(Rho)y 0.9170652E-14 GRAD(Rho)z 0.1211296E-13 Laplacian 0.1428741E+00 (-1/4)Del**2(Rho)) -0.3571854E-01 Diamond 0.4664940E-01 Metallicity 0.1965284E+01 Ellipticity 0.2525876E-01 Gb(Abramov) 0.3551187E-01 Vb(Abramov) -0.3530520E-01 Hb(Abramov) 0.2066657E-03 Ex_ueg -0.9046163E-02 Ec_ueg -0.1700357E-02 Delta_ex -0.1082462E-01 Delta_ec 0.4135791E-02 Delta_et -0.4018159E-01 Pxc 0.5320154E+01 Qxc -0.2617304E+01 3,-1 144 3 -1 2.042256 0.811213 -2.953843 Rho 0.1411047E+00 |GRAD(Rho)| 0.5167181E-14 GRAD(Rho)x 0.3152467E-14 GRAD(Rho)y -0.3741839E-14 GRAD(Rho)z 0.1661431E-14 Laplacian 0.5623374E+00 (-1/4)Del**2(Rho)) -0.1405843E+00 Diamond 0.1063811E+01 Metallicity 0.4686538E+01 Ellipticity 0.2938721E-01 Gb(Abramov) 0.2035319E+00 Vb(Abramov) -0.2664794E+00 Hb(Abramov) -0.6294752E-01 Ex_ueg -0.5425508E-01 Ec_ueg -0.7876542E-02 Delta_ex -0.5954579E-01 Delta_ec 0.1457906E-01 Delta_et -0.1925717E+00 Pxc 0.6888186E+01 Qxc -0.4084337E+01 3,-1 145 3 -1 3.321414 -0.026191 -3.155168 Rho 0.2424321E+00 |GRAD(Rho)| 0.4970518E-14 GRAD(Rho)x -0.1032160E-14 GRAD(Rho)y 0.3059673E-14 GRAD(Rho)z 0.3778770E-14 Laplacian 0.8724948E+00 (-1/4)Del**2(Rho)) -0.2181237E+00 Diamond 0.3127203E+01 Metallicity 0.7444470E+01 Ellipticity 0.2108026E-02 Gb(Abramov) 0.4160517E+00 Vb(Abramov) -0.6139797E+00 Hb(Abramov) -0.1979280E+00 Ex_ueg -0.1116448E+00 Ec_ueg -0.1460740E-01 Delta_ex -0.1057130E+00 Delta_ec 0.1925173E-01 Delta_et -0.2669156E+00 Pxc 0.7643031E+01 Qxc -0.5491089E+01 3,-1 146 3 -1 -2.838271 0.560291 -1.816534 Rho 0.1002341E+00 |GRAD(Rho)| 0.1843657E-15 GRAD(Rho)x 0.5439307E-16 GRAD(Rho)y -0.1749902E-15 GRAD(Rho)z -0.2026103E-16 Laplacian 0.4417553E+00 (-1/4)Del**2(Rho)) -0.1104388E+00 Diamond 0.5784814E+00 Metallicity 0.3373835E+01 Ellipticity 0.2072644E-01 Gb(Abramov) 0.1357263E+00 Vb(Abramov) -0.1610137E+00 Hb(Abramov) -0.2528745E-01 Ex_ueg -0.3438790E-01 Ec_ueg -0.5339234E-02 Delta_ex -0.4354273E-01 Delta_ec 0.1314941E-01 Delta_et -0.1644457E+00 Pxc 0.6440605E+01 Qxc -0.3311382E+01 3,-1 147 3 -1 -2.982133 0.859778 2.027296 Rho 0.1321591E+00 |GRAD(Rho)| 0.2394375E-09 GRAD(Rho)x -0.9636395E-10 GRAD(Rho)y 0.1754914E-09 GRAD(Rho)z -0.1313280E-09 Laplacian 0.5309035E+00 (-1/4)Del**2(Rho)) -0.1327259E+00 Diamond 0.9235461E+00 Metallicity 0.4450675E+01 Ellipticity 0.3104745E-01 Gb(Abramov) 0.1869372E+00 Vb(Abramov) -0.2411485E+00 Hb(Abramov) -0.5421132E-01 Ex_ueg -0.4971808E-01 Ec_ueg -0.7311416E-02 Delta_ex -0.5527522E-01 Delta_ec 0.1388224E-01 Delta_et -0.1813108E+00 Pxc 0.6800061E+01 Qxc -0.3981722E+01 3,-1 148 3 +1 -1.741037 0.581650 -0.483581 Rho 0.9044010E-02 |GRAD(Rho)| 0.1594250E-13 GRAD(Rho)x 0.9004641E-14 GRAD(Rho)y -0.1308276E-13 GRAD(Rho)z -0.1386110E-14 Laplacian 0.3741648E-01 (-1/4)Del**2(Rho)) -0.9354120E-02 Diamond 0.1124755E-02 Metallicity 0.7230228E+00 Ellipticity -0.1453484E+01 Gb(Abramov) 0.7363287E-02 Vb(Abramov) -0.5372454E-02 Hb(Abramov) 0.1990833E-02 Ex_ueg -0.1391660E-02 Ec_ueg -0.3248899E-03 Delta_ex -0.1753341E-02 Delta_ec 0.5658577E-03 Delta_et -0.3886460E-02 Pxc 0.4283482E+01 Qxc -0.3098555E+01 3,+1 149 3 -1 -3.074455 -0.891953 -1.971563 Rho 0.1153329E+00 |GRAD(Rho)| 0.8111277E-16 GRAD(Rho)x -0.5080842E-16 GRAD(Rho)y -0.2687466E-16 GRAD(Rho)z -0.5723232E-16 Laplacian 0.4689944E+00 (-1/4)Del**2(Rho)) -0.1172486E+00 Diamond 0.7222199E+00 Metallicity 0.4015141E+01 Ellipticity 0.1881297E-01 Gb(Abramov) 0.1566273E+00 Vb(Abramov) -0.1960061E+00 Hb(Abramov) -0.3937874E-01 Ex_ueg -0.4146254E-01 Ec_ueg -0.6262879E-02 Delta_ex -0.4768117E-01 Delta_ec 0.1340979E-01 Delta_et -0.1722910E+00 Pxc 0.6620365E+01 Qxc -0.3555698E+01 3,-1 150 3 -1 -0.232384 -1.422930 -3.317675 Rho 0.5055093E-02 |GRAD(Rho)| 0.2092983E-16 GRAD(Rho)x -0.1947498E-16 GRAD(Rho)y 0.4919567E-17 GRAD(Rho)z 0.5880526E-17 Laplacian 0.1889307E-01 (-1/4)Del**2(Rho)) -0.4723268E-02 Diamond 0.6380393E-03 Metallicity 0.5430742E+00 Ellipticity 0.1096046E+00 Gb(Abramov) 0.3576359E-02 Vb(Abramov) -0.2429451E-02 Hb(Abramov) 0.1146908E-02 Ex_ueg -0.6407529E-03 Ec_ueg -0.1492845E-03 Delta_ex -0.1116038E-02 Delta_ec 0.9068457E-03 Delta_et -0.4815211E-02 Pxc 0.4292161E+01 Qxc -0.1230681E+01 3,-1 151 3 -1 -1.779123 -0.506593 -1.693511 Rho 0.3942104E-01 |GRAD(Rho)| 0.3177728E-15 GRAD(Rho)x -0.1739187E-15 GRAD(Rho)y 0.9387963E-16 GRAD(Rho)z -0.2488341E-15 Laplacian 0.1656522E+00 (-1/4)Del**2(Rho)) -0.4141305E-01 Diamond 0.6646322E-01 Metallicity 0.1899456E+01 Ellipticity 0.2970752E-01 Gb(Abramov) 0.4071908E-01 Vb(Abramov) -0.4002511E-01 Hb(Abramov) 0.6939693E-03 Ex_ueg -0.9908832E-02 Ec_ueg -0.1839047E-02 Delta_ex -0.1318585E-01 Delta_ec 0.5544162E-02 Delta_et -0.5494612E-01 Pxc 0.5388024E+01 Qxc -0.2378330E+01 3,-1 152 3 -1 -1.852515 -0.565497 2.861992 Rho 0.1657907E+00 |GRAD(Rho)| 0.2183201E-13 GRAD(Rho)x -0.5175168E-15 GRAD(Rho)y -0.2133788E-13 GRAD(Rho)z -0.4589496E-14 Laplacian 0.6873671E+00 (-1/4)Del**2(Rho)) -0.1718418E+00 Diamond 0.1560856E+01 Metallicity 0.5016003E+01 Ellipticity 0.1069357E-01 Gb(Abramov) 0.2582210E+00 Vb(Abramov) -0.3446002E+00 Hb(Abramov) -0.8637923E-01 Ex_ueg -0.6726644E-01 Ec_ueg -0.9461890E-02 Delta_ex -0.7558043E-01 Delta_ec 0.1684946E-01 Delta_et -0.2268278E+00 Pxc 0.7109197E+01 Qxc -0.4485629E+01 3,-1 153 3 -1 0.306770 -0.399052 0.351304 Rho 0.1987042E+00 |GRAD(Rho)| 0.3111663E-13 GRAD(Rho)x -0.1828313E-13 GRAD(Rho)y 0.1781644E-13 GRAD(Rho)z -0.1779175E-13 Laplacian 0.6793552E+00 (-1/4)Del**2(Rho)) -0.1698388E+00 Diamond 0.2142145E+01 Metallicity 0.6863220E+01 Ellipticity 0.4604694E-02 Gb(Abramov) 0.3074994E+00 Vb(Abramov) -0.4451600E+00 Hb(Abramov) -0.1376606E+00 Ex_ueg -0.8563692E-01 Ec_ueg -0.1163135E-01 Delta_ex -0.7973076E-01 Delta_ec 0.1861792E-01 Delta_et -0.2646887E+00 Pxc 0.7362598E+01 Qxc -0.4282475E+01 3,-1 154 3 -1 0.858852 1.919450 -2.961617 Rho 0.1368094E+00 |GRAD(Rho)| 0.1850923E-12 GRAD(Rho)x -0.1408117E-12 GRAD(Rho)y 0.7839543E-13 GRAD(Rho)z 0.9102404E-13 Laplacian 0.5410431E+00 (-1/4)Del**2(Rho)) -0.1352608E+00 Diamond 0.9855851E+00 Metallicity 0.4626376E+01 Ellipticity 0.3102000E-01 Gb(Abramov) 0.1944684E+00 Vb(Abramov) -0.2536760E+00 Hb(Abramov) -0.5920761E-01 Ex_ueg -0.5206423E-01 Ec_ueg -0.7604547E-02 Delta_ex -0.5685517E-01 Delta_ec 0.1411985E-01 Delta_et -0.1855988E+00 Pxc 0.6846461E+01 Qxc -0.4026613E+01 3,-1 155 3 -1 0.834281 2.919933 -1.972519 Rho 0.1308593E+00 |GRAD(Rho)| 0.5205799E-13 GRAD(Rho)x 0.2206986E-13 GRAD(Rho)y -0.2069435E-13 GRAD(Rho)z 0.4236390E-13 Laplacian 0.5253651E+00 (-1/4)Del**2(Rho)) -0.1313413E+00 Diamond 0.9055705E+00 Metallicity 0.4424112E+01 Ellipticity 0.2658171E-01 Gb(Abramov) 0.1844056E+00 Vb(Abramov) -0.2374699E+00 Hb(Abramov) -0.5306433E-01 Ex_ueg -0.4906718E-01 Ec_ueg -0.7229737E-02 Delta_ex -0.5459743E-01 Delta_ec 0.1382222E-01 Delta_et -0.1803394E+00 Pxc 0.6786855E+01 Qxc -0.3949974E+01 3,-1 156 3 -1 -1.558063 -2.736189 -2.424324 Rho 0.2712917E-01 |GRAD(Rho)| 0.4629281E-15 GRAD(Rho)x 0.2314036E-15 GRAD(Rho)y 0.3240671E-15 GRAD(Rho)z 0.2360833E-15 Laplacian 0.8552631E-01 (-1/4)Del**2(Rho)) -0.2138158E-01 Diamond 0.2747855E-01 Metallicity 0.1973517E+01 Ellipticity 0.2754075E-01 Gb(Abramov) 0.2128720E-01 Vb(Abramov) -0.2119283E-01 Hb(Abramov) 0.9437556E-04 Ex_ueg -0.6020515E-02 Ec_ueg -0.1196501E-02 Delta_ex -0.6893973E-02 Delta_ec 0.4052639E-02 Delta_et -0.3604455E-01 Pxc 0.5031770E+01 Qxc -0.1701107E+01 3,-1 157 3 -1 1.993052 -0.844037 3.010915 Rho 0.1620554E+00 |GRAD(Rho)| 0.2345903E-15 GRAD(Rho)x -0.1150339E-15 GRAD(Rho)y -0.1992493E-15 GRAD(Rho)z 0.4582109E-16 Laplacian 0.6373264E+00 (-1/4)Del**2(Rho)) -0.1593316E+00 Diamond 0.1416967E+01 Metallicity 0.5208235E+01 Ellipticity 0.2591206E-01 Gb(Abramov) 0.2445271E+00 Vb(Abramov) -0.3297227E+00 Hb(Abramov) -0.8519554E-01 Ex_ueg -0.6525341E-01 Ec_ueg -0.9219649E-02 Delta_ex -0.6976059E-01 Delta_ec 0.1585569E-01 Delta_et -0.2132310E+00 Pxc 0.7077645E+01 Qxc -0.4399721E+01 3,-1 158 3 -1 1.949876 -0.618372 -2.812000 Rho 0.1550918E+00 |GRAD(Rho)| 0.2499130E-12 GRAD(Rho)x 0.1798849E-12 GRAD(Rho)y 0.1593913E-12 GRAD(Rho)z 0.6850066E-13 Laplacian 0.5861887E+00 (-1/4)Del**2(Rho)) -0.1465472E+00 Diamond 0.1260020E+01 Metallicity 0.5262884E+01 Ellipticity 0.1123199E+00 Gb(Abramov) 0.2262416E+00 Vb(Abramov) -0.3059360E+00 Hb(Abramov) -0.7969441E-01 Ex_ueg -0.6154180E-01 Ec_ueg -0.8770256E-02 Delta_ex -0.6369501E-01 Delta_ec 0.1514952E-01 Delta_et -0.2035574E+00 Pxc 0.7017104E+01 Qxc -0.4204425E+01 3,-1 159 3 -1 3.028032 0.845292 -1.940034 Rho 0.1360824E+00 |GRAD(Rho)| 0.2628397E-15 GRAD(Rho)x 0.1953461E-15 GRAD(Rho)y 0.1617765E-15 GRAD(Rho)z -0.6894171E-16 Laplacian 0.5551879E+00 (-1/4)Del**2(Rho)) -0.1387970E+00 Diamond 0.1001139E+01 Metallicity 0.4468649E+01 Ellipticity 0.2620987E-01 Gb(Abramov) 0.1959038E+00 Vb(Abramov) -0.2530107E+00 Hb(Abramov) -0.5710684E-01 Ex_ueg -0.5169567E-01 Ec_ueg -0.7558629E-02 Delta_ex -0.5822361E-01 Delta_ec 0.1443148E-01 Delta_et -0.1893862E+00 Pxc 0.6839293E+01 Qxc -0.4034485E+01 3,-1 160 3 +1 -0.147714 -2.193171 -1.068988 Rho 0.6852312E-02 |GRAD(Rho)| 0.2681517E-14 GRAD(Rho)x -0.2623891E-14 GRAD(Rho)y 0.1382697E-15 GRAD(Rho)z -0.5353587E-15 Laplacian 0.2707968E-01 (-1/4)Del**2(Rho)) -0.6769919E-02 Diamond 0.7852116E-03 Metallicity 0.6290689E+00 Ellipticity -0.2055068E+01 Gb(Abramov) 0.5223070E-02 Vb(Abramov) -0.3676221E-02 Hb(Abramov) 0.1546849E-02 Ex_ueg -0.9612460E-03 Ec_ueg -0.2274760E-03 Delta_ex -0.1323137E-02 Delta_ec 0.6568370E-03 Delta_et -0.3995442E-02 Pxc 0.4225702E+01 Qxc -0.2014408E+01 3,+1 161 3 -1 -3.229093 -0.029723 3.250020 Rho 0.2429659E+00 |GRAD(Rho)| 0.6208291E-15 GRAD(Rho)x 0.2193341E-15 GRAD(Rho)y -0.2209062E-16 GRAD(Rho)z -0.5803734E-15 Laplacian 0.8802420E+00 (-1/4)Del**2(Rho)) -0.2200605E+00 Diamond 0.3159082E+01 Metallicity 0.7406049E+01 Ellipticity 0.2515342E-02 Gb(Abramov) 0.4183368E+00 Vb(Abramov) -0.6166131E+00 Hb(Abramov) -0.1982763E+00 Ex_ueg -0.1119727E+00 Ec_ueg -0.1464438E-01 Delta_ex -0.1066907E+00 Delta_ec 0.1937020E-01 Delta_et -0.2683989E+00 Pxc 0.7646122E+01 Qxc -0.5507983E+01 3,-1 162 3 -1 -1.835505 0.530735 -2.832949 Rho 0.1133586E+00 |GRAD(Rho)| 0.2654409E-11 GRAD(Rho)x -0.1416088E-11 GRAD(Rho)y -0.2207152E-11 GRAD(Rho)z -0.4111724E-12 Laplacian 0.4936439E+00 (-1/4)Del**2(Rho)) -0.1234110E+00 Diamond 0.7458503E+00 Metallicity 0.3706438E+01 Ellipticity 0.1733708E-01 Gb(Abramov) 0.1585098E+00 Vb(Abramov) -0.1936087E+00 Hb(Abramov) -0.3509885E-01 Ex_ueg -0.4051889E-01 Ec_ueg -0.6141140E-02 Delta_ex -0.5000389E-01 Delta_ec 0.1420310E-01 Delta_et -0.1819305E+00 Pxc 0.6597942E+01 Qxc -0.3520633E+01 3,-1 163 3 -1 -1.993729 0.856126 3.020276 Rho 0.1367379E+00 |GRAD(Rho)| 0.2273618E-15 GRAD(Rho)x -0.2167591E-15 GRAD(Rho)y -0.5320722E-16 GRAD(Rho)z -0.4333421E-16 Laplacian 0.5415474E+00 (-1/4)Del**2(Rho)) -0.1353869E+00 Diamond 0.9860569E+00 Metallicity 0.4618044E+01 Ellipticity 0.2774208E-01 Gb(Abramov) 0.1944617E+00 Vb(Abramov) -0.2535365E+00 Hb(Abramov) -0.5907480E-01 Ex_ueg -0.5202797E-01 Ec_ueg -0.7600031E-02 Delta_ex -0.5690290E-01 Delta_ec 0.1413825E-01 Delta_et -0.1858325E+00 Pxc 0.6845757E+01 Qxc -0.4024747E+01 3,-1 164 3 -1 -0.830934 2.972418 1.985674 Rho 0.1470188E+00 |GRAD(Rho)| 0.5424371E-15 GRAD(Rho)x -0.4696086E-15 GRAD(Rho)y 0.1555152E-15 GRAD(Rho)z -0.2225325E-15 Laplacian 0.5802812E+00 (-1/4)Del**2(Rho)) -0.1450703E+00 Diamond 0.1150135E+01 Metallicity 0.4863280E+01 Ellipticity 0.3426281E-01 Gb(Abramov) 0.2142998E+00 Vb(Abramov) -0.2835293E+00 Hb(Abramov) -0.6922948E-01 Ex_ueg -0.5730802E-01 Ec_ueg -0.8252946E-02 Delta_ex -0.6203300E-01 Delta_ec 0.1483685E-01 Delta_et -0.1970407E+00 Pxc 0.6943947E+01 Qxc -0.4181008E+01 3,-1 165 3 -1 -0.459900 -0.377198 -0.356194 Rho 0.2106887E+00 |GRAD(Rho)| 0.4621000E-12 GRAD(Rho)x 0.3018187E-12 GRAD(Rho)y 0.2491965E-12 GRAD(Rho)z 0.2456480E-12 Laplacian 0.8057626E+00 (-1/4)Del**2(Rho)) -0.2014407E+00 Diamond 0.2668132E+01 Metallicity 0.6379815E+01 Ellipticity 0.2696867E-01 Gb(Abramov) 0.3484861E+00 Vb(Abramov) -0.4955316E+00 Hb(Abramov) -0.1470455E+00 Ex_ueg -0.9259198E-01 Ec_ueg -0.1243649E-01 Delta_ex -0.9558756E-01 Delta_ec 0.2109993E-01 Delta_et -0.3001157E+00 Pxc 0.7445187E+01 Qxc -0.4530231E+01 3,-1 166 3 -1 1.712649 0.466807 -1.683033 Rho 0.3478640E-01 |GRAD(Rho)| 0.6233371E-16 GRAD(Rho)x -0.3590880E-16 GRAD(Rho)y 0.2462383E-16 GRAD(Rho)z 0.4460624E-16 Laplacian 0.1333350E+00 (-1/4)Del**2(Rho)) -0.3333375E-01 Diamond 0.4011636E-01 Metallicity 0.1915806E+01 Ellipticity 0.2863864E-01 Gb(Abramov) 0.3286600E-01 Vb(Abramov) -0.3239825E-01 Hb(Abramov) 0.4677506E-03 Ex_ueg -0.8386828E-02 Ec_ueg -0.1593036E-02 Delta_ex -0.9948305E-02 Delta_ec 0.3838073E-02 Delta_et -0.3671855E-01 Pxc 0.5264681E+01 Qxc -0.2592005E+01 3,-1 167 3 -1 1.814340 0.549757 2.768525 Rho 0.1239213E+00 |GRAD(Rho)| 0.2672502E-13 GRAD(Rho)x -0.2323939E-13 GRAD(Rho)y 0.2459309E-14 GRAD(Rho)z -0.1296571E-13 Laplacian 0.5173159E+00 (-1/4)Del**2(Rho)) -0.1293290E+00 Diamond 0.8377197E+00 Metallicity 0.4102991E+01 Ellipticity 0.1674094E-01 Gb(Abramov) 0.1746586E+00 Vb(Abramov) -0.2199882E+00 Hb(Abramov) -0.4532962E-01 Ex_ueg -0.4562957E-01 Ec_ueg -0.6795655E-02 Delta_ex -0.5309443E-01 Delta_ec 0.1384551E-01 Delta_et -0.1791166E+00 Pxc 0.6714521E+01 Qxc -0.3834777E+01 3,-1 168 3 -1 3.156341 -3.258200 -0.117987 Rho 0.2379966E+00 |GRAD(Rho)| 0.9959467E-15 GRAD(Rho)x -0.9413043E-15 GRAD(Rho)y 0.2853078E-15 GRAD(Rho)z 0.1563826E-15 Laplacian 0.8648332E+00 (-1/4)Del**2(Rho)) -0.2162083E+00 Diamond 0.3028619E+01 Metallicity 0.7282805E+01 Ellipticity 0.9057690E-02 Gb(Abramov) 0.4065727E+00 Vb(Abramov) -0.5969371E+00 Hb(Abramov) -0.1903644E+00 Ex_ueg -0.1089296E+00 Ec_ueg -0.1430073E-01 Delta_ex -0.1042645E+00 Delta_ec 0.1915864E-01 Delta_et -0.2653298E+00 Pxc 0.7617066E+01 Qxc -0.5442170E+01 3,-1 169 3 -1 -3.077570 -1.992440 -0.796739 Rho 0.1592834E+00 |GRAD(Rho)| 0.4453289E-15 GRAD(Rho)x 0.1168499E-15 GRAD(Rho)y -0.3186741E-15 GRAD(Rho)z 0.2882894E-15 Laplacian 0.6419928E+00 (-1/4)Del**2(Rho)) -0.1604982E+00 Diamond 0.1390233E+01 Metallicity 0.5023818E+01 Ellipticity 0.4625810E-01 Gb(Abramov) 0.2413844E+00 Vb(Abramov) -0.3222706E+00 Hb(Abramov) -0.8088622E-01 Ex_ueg -0.6376941E-01 Ec_ueg -0.9040410E-02 Delta_ex -0.6989919E-01 Delta_ec 0.1591316E-01 Delta_et -0.2132124E+00 Pxc 0.7053819E+01 Qxc -0.4392539E+01 3,-1 170 3 -1 -2.854822 -1.786919 0.623797 Rho 0.1332783E+00 |GRAD(Rho)| 0.3296991E-15 GRAD(Rho)x -0.1439956E-16 GRAD(Rho)y 0.2429562E-15 GRAD(Rho)z 0.2224105E-15 Laplacian 0.5540541E+00 (-1/4)Del**2(Rho)) -0.1385135E+00 Diamond 0.9797180E+00 Metallicity 0.4325071E+01 Ellipticity 0.8904146E-02 Gb(Abramov) 0.1921891E+00 Vb(Abramov) -0.2458647E+00 Hb(Abramov) -0.5367562E-01 Ex_ueg -0.5028025E-01 Ec_ueg -0.7381836E-02 Delta_ex -0.5787426E-01 Delta_ec 0.1458496E-01 Delta_et -0.1909897E+00 Pxc 0.6811348E+01 Qxc -0.3968079E+01 3,-1 171 3 -1 -0.619722 -1.810440 2.851691 Rho 0.1109136E+00 |GRAD(Rho)| 0.6203549E-15 GRAD(Rho)x -0.4251970E-15 GRAD(Rho)y 0.4438724E-15 GRAD(Rho)z 0.8381560E-16 Laplacian 0.4829285E+00 (-1/4)Del**2(Rho)) -0.1207321E+00 Diamond 0.7094971E+00 Metallicity 0.3653463E+01 Ellipticity 0.2227995E-01 Gb(Abramov) 0.1540031E+00 Vb(Abramov) -0.1872742E+00 Hb(Abramov) -0.3327103E-01 Ex_ueg -0.3935784E-01 Ec_ueg -0.5990771E-02 Delta_ex -0.4865177E-01 Delta_ec 0.1392898E-01 Delta_et -0.1776209E+00 Pxc 0.6569745E+01 Qxc -0.3492846E+01 3,-1 172 3 -1 2.848440 -0.577366 -1.783891 Rho 0.1564675E+00 |GRAD(Rho)| 0.9256352E-14 GRAD(Rho)x 0.4943203E-14 GRAD(Rho)y 0.1245152E-14 GRAD(Rho)z -0.7726214E-14 Laplacian 0.6489264E+00 (-1/4)Del**2(Rho)) -0.1622316E+00 Diamond 0.1381519E+01 Metallicity 0.4824561E+01 Ellipticity 0.1729365E-01 Gb(Abramov) 0.2386038E+00 Vb(Abramov) -0.3149759E+00 Hb(Abramov) -0.7637218E-01 Ex_ueg -0.6227071E-01 Ec_ueg -0.8858802E-02 Delta_ex -0.7039942E-01 Delta_ec 0.1625963E-01 Delta_et -0.2176096E+00 Pxc 0.7029247E+01 Qxc -0.4329705E+01 3,-1 173 3 -1 -0.070699 -3.240844 3.244297 Rho 0.2199674E+00 |GRAD(Rho)| 0.5151085E-15 GRAD(Rho)x 0.4792174E-16 GRAD(Rho)y 0.2766884E-15 GRAD(Rho)z -0.4318377E-15 Laplacian 0.8168249E+00 (-1/4)Del**2(Rho)) -0.2042062E+00 Diamond 0.2595736E+01 Metallicity 0.6762096E+01 Ellipticity 0.2098472E-02 Gb(Abramov) 0.3662811E+00 Vb(Abramov) -0.5283561E+00 Hb(Abramov) -0.1620749E+00 Ex_ueg -0.9806847E-01 Ec_ueg -0.1306532E-01 Delta_ex -0.9644576E-01 Delta_ec 0.1844823E-01 Delta_et -0.2542969E+00 Pxc 0.7506015E+01 Qxc -0.5227914E+01 3,-1 174 3 -1 2.777440 0.563655 1.813838 Rho 0.1299934E+00 |GRAD(Rho)| 0.1624913E-15 GRAD(Rho)x 0.7094070E-16 GRAD(Rho)y -0.1179747E-15 GRAD(Rho)z 0.8632960E-16 Laplacian 0.5493339E+00 (-1/4)Del**2(Rho)) -0.1373335E+00 Diamond 0.9435089E+00 Metallicity 0.4184521E+01 Ellipticity 0.1181096E-01 Gb(Abramov) 0.1873348E+00 Vb(Abramov) -0.2373361E+00 Hb(Abramov) -0.5000131E-01 Ex_ueg -0.4863478E-01 Ec_ueg -0.7175389E-02 Delta_ex -0.5704705E-01 Delta_ec 0.1456502E-01 Delta_et -0.1899917E+00 Pxc 0.6777999E+01 Qxc -0.3916717E+01 3,-1 175 3 -1 -0.572585 2.738901 -1.801840 Rho 0.1453193E+00 |GRAD(Rho)| 0.1539830E-15 GRAD(Rho)x -0.5529431E-16 GRAD(Rho)y -0.6769487E-16 GRAD(Rho)z 0.1267703E-15 Laplacian 0.6048511E+00 (-1/4)Del**2(Rho)) -0.1512128E+00 Diamond 0.1179444E+01 Metallicity 0.4576183E+01 Ellipticity 0.1043683E-01 Gb(Abramov) 0.2161381E+00 Vb(Abramov) -0.2810634E+00 Hb(Abramov) -0.6492530E-01 Ex_ueg -0.5642645E-01 Ec_ueg -0.8144557E-02 Delta_ex -0.6444705E-01 Delta_ec 0.1545814E-01 Delta_et -0.2048353E+00 Pxc 0.6928117E+01 Qxc -0.4169132E+01 3,-1 176 3 -1 3.224299 0.033483 3.178973 Rho 0.2419417E+00 |GRAD(Rho)| 0.4746524E-15 GRAD(Rho)x 0.3229838E-15 GRAD(Rho)y -0.4748806E-16 GRAD(Rho)z 0.3445595E-15 Laplacian 0.8746258E+00 (-1/4)Del**2(Rho)) -0.2186564E+00 Diamond 0.3125855E+01 Metallicity 0.7401314E+01 Ellipticity 0.1152434E-02 Gb(Abramov) 0.4154951E+00 Vb(Abramov) -0.6123338E+00 Hb(Abramov) -0.1968387E+00 Ex_ueg -0.1113438E+00 Ec_ueg -0.1457344E-01 Delta_ex -0.1059080E+00 Delta_ec 0.1929764E-01 Delta_et -0.2674778E+00 Pxc 0.7640186E+01 Qxc -0.5488131E+01 3,-1 177 3 -1 -0.851822 1.987773 3.001904 Rho 0.1439049E+00 |GRAD(Rho)| 0.2343948E-15 GRAD(Rho)x -0.1567756E-15 GRAD(Rho)y 0.5274644E-16 GRAD(Rho)z 0.1660727E-15 Laplacian 0.5735016E+00 (-1/4)Del**2(Rho)) -0.1433754E+00 Diamond 0.1107858E+01 Metallicity 0.4748295E+01 Ellipticity 0.4117219E-01 Gb(Abramov) 0.2090484E+00 Vb(Abramov) -0.2747214E+00 Hb(Abramov) -0.6567299E-01 Ex_ueg -0.5569537E-01 Ec_ueg -0.8054487E-02 Delta_ex -0.6098814E-01 Delta_ec 0.1474122E-01 Delta_et -0.1951646E+00 Pxc 0.6914825E+01 Qxc -0.4137251E+01 3,-1 178 3 -1 -2.828150 -0.564445 1.867048 Rho 0.1484743E+00 |GRAD(Rho)| 0.1408689E-13 GRAD(Rho)x -0.7001371E-14 GRAD(Rho)y 0.1942131E-14 GRAD(Rho)z 0.1206853E-13 Laplacian 0.6207919E+00 (-1/4)Del**2(Rho)) -0.1551980E+00 Diamond 0.1241792E+01 Metallicity 0.4621177E+01 Ellipticity 0.1241417E-01 Gb(Abramov) 0.2229982E+00 Vb(Abramov) -0.2907984E+00 Hb(Abramov) -0.6780022E-01 Ex_ueg -0.5806576E-01 Ec_ueg -0.8345919E-02 Delta_ex -0.6649100E-01 Delta_ec 0.1577488E-01 Delta_et -0.2096580E+00 Pxc 0.6957384E+01 Qxc -0.4214994E+01 3,-1 179 3 -1 -3.280217 -3.172449 0.106749 Rho 0.2415730E+00 |GRAD(Rho)| 0.5774853E-15 GRAD(Rho)x -0.4677248E-15 GRAD(Rho)y -0.2872052E-15 GRAD(Rho)z 0.1795439E-15 Laplacian 0.8848929E+00 (-1/4)Del**2(Rho)) -0.2212232E+00 Diamond 0.3147715E+01 Metallicity 0.7296868E+01 Ellipticity 0.7591986E-02 Gb(Abramov) 0.4165216E+00 Vb(Abramov) -0.6118200E+00 Hb(Abramov) -0.1952984E+00 Ex_ueg -0.1111176E+00 Ec_ueg -0.1454792E-01 Delta_ex -0.1070608E+00 Delta_ec 0.1944792E-01 Delta_et -0.2691689E+00 Pxc 0.7638042E+01 Qxc -0.5505002E+01 3,-1 180 3 -1 -0.791698 -3.379574 -1.301366 Rho 0.3164715E+00 |GRAD(Rho)| 0.5112818E-15 GRAD(Rho)x 0.1680767E-15 GRAD(Rho)y 0.3929815E-15 GRAD(Rho)z 0.2805796E-15 Laplacian -0.1627193E+01 (-1/4)Del**2(Rho)) 0.4067981E+00 Diamond 0.5562679E+01 Metallicity -0.6223938E+01 Ellipticity 0.4504337E-02 Gb(Abramov) 0.1507823E+00 Vb(Abramov) -0.7083628E+00 Hb(Abramov) -0.5575805E+00 Ex_ueg -0.1592812E+00 Ec_ueg -0.1988587E-01 Delta_ex 0.1615163E+00 Delta_ec 0.5645053E-01 Delta_et -0.1335074E+01 Pxc 0.8009769E+01 Qxc 0.2861200E+01 3,-1 181 3 -1 -0.629032 -2.795398 1.836730 Rho 0.1253894E+00 |GRAD(Rho)| 0.1639587E-13 GRAD(Rho)x -0.1574606E-13 GRAD(Rho)y 0.4260305E-14 GRAD(Rho)z 0.1654059E-14 Laplacian 0.5423887E+00 (-1/4)Del**2(Rho)) -0.1355972E+00 Diamond 0.9164005E+00 Metallicity 0.3990896E+01 Ellipticity 0.1308947E-01 Gb(Abramov) 0.1805905E+00 Vb(Abramov) -0.2255838E+00 Hb(Abramov) -0.4499331E-01 Ex_ueg -0.4635174E-01 Ec_ueg -0.6887236E-02 Delta_ex -0.5614818E-01 Delta_ec 0.1505360E-01 Delta_et -0.1961462E+00 Pxc 0.6730093E+01 Qxc -0.3729884E+01 3,-1 182 3 -1 -1.583295 -2.202687 -3.132974 Rho 0.3246558E+00 |GRAD(Rho)| 0.8008194E-15 GRAD(Rho)x -0.3813016E-15 GRAD(Rho)y 0.6888229E-15 GRAD(Rho)z -0.1464372E-15 Laplacian -0.1624371E+01 (-1/4)Del**2(Rho)) 0.4060926E+00 Diamond 0.5764347E+01 Metallicity -0.6505789E+01 Ellipticity 0.1550053E-02 Gb(Abramov) 0.1695971E+00 Vb(Abramov) -0.7452868E+00 Hb(Abramov) -0.5756897E+00 Ex_ueg -0.1647970E+00 Ec_ueg -0.2048798E-01 Delta_ex 0.1627213E+00 Delta_ec 0.5659770E-01 Delta_et -0.1351777E+01 Pxc 0.8043592E+01 Qxc 0.2875051E+01 3,-1 183 3 -1 -2.813765 1.810197 -0.554278 Rho 0.1736178E+00 |GRAD(Rho)| 0.6617099E-15 GRAD(Rho)x -0.2029626E-15 GRAD(Rho)y -0.5315030E-15 GRAD(Rho)z -0.3378916E-15 Laplacian 0.7204205E+00 (-1/4)Del**2(Rho)) -0.1801051E+00 Diamond 0.1724225E+01 Metallicity 0.5168338E+01 Ellipticity 0.1288103E-01 Gb(Abramov) 0.2752108E+00 Vb(Abramov) -0.3703165E+00 Hb(Abramov) -0.9510567E-01 Ex_ueg -0.7153372E-01 Ec_ueg -0.9972167E-02 Delta_ex -0.8009460E-01 Delta_ec 0.1737841E-01 Delta_et -0.2349784E+00 Pxc 0.7173337E+01 Qxc -0.4608858E+01 3,-1 184 3 -1 1.787248 -2.859637 -0.639450 Rho 0.2035182E+00 |GRAD(Rho)| 0.8894351E-15 GRAD(Rho)x 0.5013351E-15 GRAD(Rho)y 0.6968845E-15 GRAD(Rho)z 0.2326156E-15 Laplacian 0.7843651E+00 (-1/4)Del**2(Rho)) -0.1960913E+00 Diamond 0.2267298E+01 Metallicity 0.6186336E+01 Ellipticity 0.8212793E-02 Gb(Abramov) 0.3329086E+00 Vb(Abramov) -0.4697259E+00 Hb(Abramov) -0.1368173E+00 Ex_ueg -0.8841432E-01 Ec_ueg -0.1195380E-01 Delta_ex -0.9075890E-01 Delta_ec 0.1807209E-01 Delta_et -0.2477406E+00 Pxc 0.7396338E+01 Qxc -0.5022047E+01 3,-1 185 3 -1 1.964732 -3.044460 0.814768 Rho 0.1568902E+00 |GRAD(Rho)| 0.5521163E-15 GRAD(Rho)x 0.4676028E-15 GRAD(Rho)y 0.7024275E-16 GRAD(Rho)z -0.2850368E-15 Laplacian 0.6111166E+00 (-1/4)Del**2(Rho)) -0.1527791E+00 Diamond 0.1314873E+01 Metallicity 0.5146146E+01 Ellipticity 0.2011851E-01 Gb(Abramov) 0.2328901E+00 Vb(Abramov) -0.3130010E+00 Hb(Abramov) -0.8011090E-01 Ex_ueg -0.6249512E-01 Ec_ueg -0.8886034E-02 Delta_ex -0.6643215E-01 Delta_ec 0.1546310E-01 Delta_et -0.2074201E+00 Pxc 0.7032960E+01 Qxc -0.4296172E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 123 171 181 136 125 173 153 165 101 82 87 85 175 154 155 93 86 92 95 177 164 96 132 139 184 140 185 168 111 109 106 110 108 112 77 183 120 59 61 62 119 170 118 169 117 179 151 146 162 149 72 113 116 178 152 147 163 161 143 174 167 142 157 176 166 172 158 159 144 145 97 131 150 133 124 127 182 156 180 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 21 21 28 28 36 37 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 36 54 53 54 52 52 53 2.481351 2.025099 1.978471 2.024017 2.012150 1.777651 1.566145 1.538293 1.571457 1.578550 2.418374 1.877398 1.925996 1.959470 1.976801 1.739999 2.429969 1.903956 1.942778 1.938698 1.932319 1.739670 2.491489 1.992722 1.806430 2.083044 1.906156 1.746977 2.525009 1.906583 1.924893 1.933509 1.928060 1.738459 2.459668 1.858241 1.955535 1.933091 1.980871 1.741524 2.425497 1.959393 1.917213 1.898970 1.972716 1.741032 2.454795 2.064849 2.015790 2.022669 1.970073 1.777388 2.483426 1.917379 1.876221 1.972544 1.959620 1.739042 2.500340 1.968237 1.988934 1.869465 1.893110 1.740705 2.526046 1.897480 1.917767 1.959112 1.946697 1.740039 3.288596 3.151432 3.261441 1.011132 1.812870 1.658107 0.990135 1.941206 0.999882 2.482695 2.025304 1.978743 2.024375 2.012582 1.777652 1.566192 1.538376 1.571482 1.578564 2.419514 1.877680 1.926399 1.960053 1.977408 1.740004 2.431164 1.904381 1.943146 1.939241 1.932917 1.739673 2.492460 1.993075 1.806546 2.083581 1.906619 1.747002 2.526044 1.906973 1.925354 1.934028 1.928617 1.738462 2.460700 1.858524 1.955933 1.933606 1.981477 1.741533 2.426793 1.959821 1.917586 1.899525 1.973772 1.741039 2.456083 2.065044 2.016050 2.022978 1.970979 1.777394 2.484435 1.917801 1.876519 1.973187 1.960226 1.739045 2.501456 1.968646 1.989350 1.869938 1.893570 1.740712 2.526968 1.897966 1.918721 1.959663 1.947314 1.740044 3.320207 3.154002 3.264598 1.011213 1.814301 1.661196 0.990226 1.951903 1.000021 29 25 23 25 26 21 21 21 24 21 27 24 23 23 26 21 27 23 23 23 24 20 29 25 22 28 23 24 29 23 28 23 23 22 29 22 25 23 23 22 27 25 25 24 25 22 30 24 24 28 25 23 29 23 22 27 25 20 29 23 25 25 24 21 29 23 23 23 24 21 35 33 35 20 25 25 17 25 20 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 Ta P W W W W W W Ta W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.2580 2.3773 2.4810 2.4857 2.4077 2.4770 2.4687 2.4579 2.2727 2.4676 2.4621 2.4556 -1.0449 -0.9776 -1.0468 -1.0567 -0.9620 -0.9710 -0.9540 -0.9653 -0.7801 -0.9622 -0.9721 -0.9657 -0.9645 -0.9903 -0.9617 -0.9125 -0.9638 -0.9959 -0.9743 -0.9779 -0.9861 -0.9767 -0.9750 -0.8482 -0.8449 -0.9768 -1.0003 -0.9755 -0.9021 -0.7985 -0.7965 -0.7957 -0.8190 -0.7953 -0.8034 -0.8031 -0.9038 -0.7969 -0.8027 0.2993 0.3305 0.2984 2.0990 2.5146 2.0933 2.0865 2.1186 2.0871 2.0940 2.1157 2.1110 2.0934 2.0972 2.0994 1.8938 1.8965 1.8938 1.8924 1.9318 1.9318 1.9343 1.9319 1.8788 1.9322 1.9328 1.9327 1.9315 1.9292 1.9323 1.9561 1.9429 1.9385 1.9407 1.9411 1.9396 1.9416 1.9411 1.8736 1.8793 1.9413 1.9386 1.9413 1.9476 1.9638 1.9655 1.9647 1.9617 1.9657 1.9645 1.9641 1.9469 1.9659 1.9644 0.5644 0.5263 0.5345 6.0714 7.2820 6.0943 6.0892 6.1096 6.0937 6.0955 6.1085 6.0687 6.0963 6.0958 6.1057 5.1125 5.0421 5.1142 5.1249 5.0002 5.0090 4.9910 5.0035 4.8692 5.0009 5.0112 5.0044 5.0033 5.0335 4.9990 4.9237 4.9901 5.0273 5.0018 5.0054 5.0161 5.0043 5.0021 4.9456 4.9344 5.0045 5.0318 5.0028 4.9259 4.7995 4.7957 4.7956 4.8232 4.7940 4.8039 4.8040 4.9285 4.7956 4.8031 0.1362 0.1431 0.1671 2.5374 0.8261 3.3019 3.3090 3.3354 3.3125 3.3123 3.2885 2.5137 3.3132 3.3156 3.3102 0.0386 0.0390 0.0388 0.0395 0.0301 0.0302 0.0287 0.0299 0.0321 0.0291 0.0281 0.0286 0.0297 0.0277 0.0304 0.0327 0.0309 0.0301 0.0319 0.0314 0.0304 0.0308 0.0319 0.0290 0.0312 0.0309 0.0299 0.0314 0.0286 0.0352 0.0353 0.0354 0.0341 0.0356 0.0350 0.0349 0.0284 0.0355 0.0352 0.0000 0.0000 0.0000 14.0342 0.0000 14.0295 14.0296 14.0287 14.0296 14.0295 14.0293 14.0339 14.0294 14.0293 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Ta P W W W W W W Ta W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.375643 2.004541 2.517964 2.517549 2.486730 2.514393 2.509925 2.525474 2.394845 2.510260 2.509378 2.512061 -1.034647 -0.984201 -1.032544 -1.040696 -0.964663 -0.961711 -0.969344 -0.963727 -0.630234 -0.964984 -0.970677 -0.974126 -0.966795 -0.987663 -0.961807 -0.773130 -0.955367 -0.971197 -0.956021 -0.956970 -0.974340 -0.949231 -0.953978 -0.658826 -0.594127 -0.957809 -0.982905 -0.954857 -0.971526 -0.838258 -0.830862 -0.830756 -0.861880 -0.828926 -0.839100 -0.839194 -0.971054 -0.830740 -0.838710 0.045651 0.058379 0.044790 1.854688 1.576980 1.941906 1.938888 1.916810 1.936368 1.935271 1.948862 1.881972 1.937800 1.941613 1.944142 -0.748384 -0.718069 -0.745110 -0.750359 -0.722832 -0.731616 -0.745554 -0.722828 -0.758386 -0.727432 -0.732756 -0.754609 -0.724858 -0.742372 -0.722687 -0.650847 -0.791923 -0.808403 -0.773440 -0.783624 -0.809445 -0.760546 -0.779536 -0.853657 -0.792309 -0.788307 -0.813644 -0.783155 -0.894997 -0.730411 -0.734981 -0.734873 -0.765545 -0.731523 -0.742796 -0.733528 -0.885551 -0.733120 -0.741040 0.347087 0.284022 0.278643 1.962719 1.535519 2.047020 2.045759 2.011476 2.042248 2.039462 2.074764 2.009343 2.045651 2.045971 2.047313 -0.804645 -0.804753 -0.803236 -0.813767 -0.799723 -0.807762 -0.817963 -0.799666 -0.793330 -0.805861 -0.810891 -0.820157 -0.802903 -0.848250 -0.796620 -0.728862 -0.825152 -0.855085 -0.820451 -0.822847 -0.839718 -0.809350 -0.815809 -0.885978 -0.833343 -0.823910 -0.858557 -0.821991 -0.870718 -0.709551 -0.701260 -0.700883 -0.736285 -0.698262 -0.710322 -0.716318 -0.892344 -0.697912 -0.709601 0.443492 0.328053 0.335246 4.32883415 1.50432487 -1.80738590 4.92630107 -12.25086356 1.12670756 -17.88498103 15.27968779 29.44065998 -3.02882424 -390.3914 410.4471 -33.6496 -412.7481 -42.4819 -468.8240 Apr20-2024 18:37:43 Nodes: 1 Procs: 1 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 0 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 Apr20-2024 18:37:44 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr20-2024 18:37:45 Nodes: 1 Procs: 1 Apr20-2024 18:37:46 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr20-2024 18:37:48 Nodes: 1 Procs: 1 Apr20-2024 18:37:48 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr20-2024 18:37:48 Nodes: 1 Procs: 1 Apr20-2024 18:37:49 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr20-2024 18:37:51 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -16.60926586 -17.03593162 -16.85567137 -16.97962213 -17.13406559 -17.16585986 -17.20864782 -17.21352799 -17.21565136 -17.22179546 -17.22461215 -17.22606167 -17.22663514 -17.22805123 -17.22848983 -17.22870824 -17.22880140 -17.22884474 -17.22891864 -17.22894139 -17.22896608 GEOMETRY CONVERGED