ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:53:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.05 1.54 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 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:54 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:53:57 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.05 2.25 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:54 Nodes: 1 Procs: 1 0 Jun20-2024 20:53:57 Nodes: 1 Procs: 1 Jun20-2024 20:53:59 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:54:03 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.38 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 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:54 Nodes: 1 Procs: 1 0 Jun20-2024 20:53:57 Nodes: 1 Procs: 1 Jun20-2024 20:53:59 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 20:54:03 Nodes: 1 Procs: 1 Jun20-2024 20:54:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:54:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.06 2.22 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 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:54 Nodes: 1 Procs: 1 0 Jun20-2024 20:53:57 Nodes: 1 Procs: 1 Jun20-2024 20:53:59 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 20:54:03 Nodes: 1 Procs: 1 Jun20-2024 20:54:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 20:54:10 Nodes: 1 Procs: 1 Jun20-2024 20:54:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:54:15 Hydrogen (TZP) c2-14 c2-14 c2-14 c2-14 c2-14 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.07 3.35 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 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:54 Nodes: 1 Procs: 1 0 Jun20-2024 20:53:57 Nodes: 1 Procs: 1 Jun20-2024 20:53:59 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 20:54:03 Nodes: 1 Procs: 1 Jun20-2024 20:54:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 20:54:10 Nodes: 1 Procs: 1 Jun20-2024 20:54:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 20:54:15 Nodes: 1 Procs: 1 Jun20-2024 20:54:18 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 20:54:24 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2903.625000000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun20-2024 20:54:18 1 1 Tungsten TZP 4d t21.Ta ADF 2019.304 Jun20-2024 20:54:06 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun20-2024 20:54:13 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun20-2024 20:53:59 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun20-2024 20:53:54 1 1 Hydrogen TZP 1 1 -17.42555506 0.24716167 0.00100000 F 0.09336301 0.00066667 F 0.24716167 0.09336301 0.12389231 0.01000000 F 0.03631839 0.00666667 F Cartesian 2903.625000000006 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3.841274 0.169832 -3.854904 3.827807 -0.194943 -3.786544 -3.752024 0.277253 -3.873309 0.239265 -3.812283 -3.805205 -0.238303 3.743132 3.868395 0.142432 3.854769 3.830847 -0.270542 -3.772727 0.000104 0.004211 -0.046227 -4.433943 3.655668 -0.964939 1 3 -3 0.116826 -2.556536 2.550514 Rho 0.4361414E+07 3,-3 2 3 -3 2.568534 -2.553018 0.093343 Rho 0.4361414E+07 3,-3 3 3 -3 -2.481046 2.526338 0.096366 Rho 0.4361413E+07 3,-3 4 3 -3 -2.581758 -2.551475 -0.142058 Rho 0.4361415E+07 3,-3 5 3 -3 -2.559242 0.120121 2.570231 Rho 0.4361414E+07 3,-3 6 3 -3 2.597458 0.119044 -2.592575 Rho 0.4361414E+07 3,-3 7 3 -3 -0.116017 -2.579303 -2.597844 Rho 0.3882646E+07 3,-3 8 3 -3 0.171113 2.585588 -2.639227 Rho 0.3882646E+07 3,-3 9 3 -3 -0.035781 2.604174 2.621552 Rho 0.3882647E+07 3,-3 10 3 -3 2.605325 2.623811 -0.088371 Rho 0.3882647E+07 3,-3 11 3 -3 -2.553300 -0.117505 -2.652337 Rho 0.3882646E+07 3,-3 12 3 -3 2.604773 -0.058288 2.597042 Rho 0.3882647E+07 3,-3 13 3 -3 0.959215 -0.950183 0.986415 Rho 0.3190359E+03 3,-3 14 3 -3 -1.001260 -0.976304 -1.011157 Rho 0.3190061E+03 3,-3 15 3 -3 0.996610 0.982569 -1.009907 Rho 0.3190341E+03 3,-3 16 3 -3 -0.985832 1.027267 0.926546 Rho 0.3190061E+03 3,-3 17 3 -3 -2.995053 -1.133154 1.145784 Rho 0.3188608E+03 3,-3 18 3 -3 3.054208 -1.187421 -1.155681 Rho 0.3188525E+03 3,-3 19 3 -3 -3.026708 1.199016 -1.094886 Rho 0.3189557E+03 3,-3 20 3 -3 3.117063 1.192626 1.207256 Rho 0.3188159E+03 3,-3 21 3 -3 1.221658 -1.159075 -3.028258 Rho 0.3188417E+03 3,-3 22 3 -3 1.200291 1.209015 3.177272 Rho 0.3188135E+03 3,-3 23 3 -3 -1.187899 1.201133 -3.077911 Rho 0.3188170E+03 3,-3 24 3 -3 -1.181978 -1.161415 3.023284 Rho 0.3188523E+03 3,-3 25 3 -3 -1.195757 3.065305 -1.127965 Rho 0.3189301E+03 3,-3 26 3 -3 -1.158448 -2.970372 1.139695 Rho 0.3188633E+03 3,-3 27 3 -3 1.207537 3.146441 1.221275 Rho 0.3188068E+03 3,-3 28 3 -3 1.166109 -3.022584 -1.105057 Rho 0.3188622E+03 3,-3 29 3 -3 3.417313 -1.598191 1.514144 Rho 0.3189150E+03 3,-3 30 3 -3 -3.480893 -1.548900 -1.478176 Rho 0.3189237E+03 3,-3 31 3 -3 3.474005 1.454180 -1.564212 Rho 0.3189210E+03 3,-3 32 3 -3 -3.429858 1.498241 1.509544 Rho 0.3189399E+03 3,-3 33 3 -3 1.454572 -1.575632 3.451789 Rho 0.3189354E+03 3,-3 34 3 -3 1.607862 1.478568 -3.522382 Rho 0.3188910E+03 3,-3 35 3 -3 -1.575118 1.478374 3.443061 Rho 0.3189253E+03 3,-3 36 3 -3 -1.564617 -1.576944 -3.526036 Rho 0.3188631E+03 3,-3 37 3 -3 -1.576056 -3.473407 -1.477098 Rho 0.3189109E+03 3,-3 38 3 -3 -1.606924 3.427875 1.500683 Rho 0.3189761E+03 3,-3 39 3 -3 1.483655 -3.444167 1.515199 Rho 0.3189201E+03 3,-3 40 3 -3 1.562347 3.477080 -1.563886 Rho 0.3188647E+03 3,-3 41 3 -3 -0.265876 -3.797134 3.724138 Rho 0.3192556E+03 3,-3 42 3 -3 0.250022 -3.866991 -3.788114 Rho 0.3191181E+03 3,-3 43 3 -3 -0.174700 3.839394 -3.870871 Rho 0.3191221E+03 3,-3 44 3 -3 0.151805 3.870095 3.874178 Rho 0.3191189E+03 3,-3 45 3 -3 3.752481 -3.804049 -0.222870 Rho 0.3192473E+03 3,-3 46 3 -3 3.897999 3.841274 0.169832 Rho 0.3191020E+03 3,-3 47 3 -3 -3.854904 3.827807 -0.194943 Rho 0.3187034E+03 3,-3 48 3 -3 -3.786544 -3.752024 0.277253 Rho 0.3192453E+03 3,-3 49 3 -3 -3.873309 0.239265 -3.812283 Rho 0.3191168E+03 3,-3 50 3 -3 -3.805205 -0.238303 3.743132 Rho 0.3192627E+03 3,-3 51 3 -3 3.868395 0.142432 3.854769 Rho 0.3191058E+03 3,-3 52 3 -3 3.830847 -0.270542 -3.772727 Rho 0.3192481E+03 3,-3 53 3 -3 0.000104 0.004211 -0.046227 Rho 0.4276086E+05 3,-3 54 3 -3 -4.433943 3.655668 -0.964939 Rho 0.4606249E+00 3,-3 55 3 +1 -2.212009 -1.037131 -1.456715 Rho 0.2604806E-01 |GRAD(Rho)| 0.1157359E-13 GRAD(Rho)x -0.3687304E-14 GRAD(Rho)y 0.6275266E-14 GRAD(Rho)z -0.8998496E-14 Laplacian 0.9987143E-01 (-1/4)Del**2(Rho)) -0.2496786E-01 Diamond 0.1207246E-01 Metallicity 0.1579298E+01 Ellipticity -0.2447677E+01 Gb(Abramov) 0.2321719E-01 Vb(Abramov) -0.2146652E-01 Hb(Abramov) 0.1750670E-02 Ex_ueg -0.5702765E-02 Ec_ueg -0.1141626E-02 Delta_ex -0.6100182E-02 Delta_ec 0.1373584E-02 Delta_et -0.1231185E-01 Pxc 0.4995302E+01 Qxc -0.4441069E+01 3,+1 56 3 +1 -2.167937 1.073139 1.373544 Rho 0.2866190E-01 |GRAD(Rho)| 0.4766943E-14 GRAD(Rho)x 0.4109951E-14 GRAD(Rho)y -0.2379081E-14 GRAD(Rho)z 0.4147495E-15 Laplacian 0.1121703E+00 (-1/4)Del**2(Rho)) -0.2804257E-01 Diamond 0.1640896E-01 Metallicity 0.1649087E+01 Ellipticity -0.3104855E+01 Gb(Abramov) 0.2640249E-01 Vb(Abramov) -0.2476241E-01 Hb(Abramov) 0.1640082E-02 Ex_ueg -0.6478260E-02 Ec_ueg -0.1274795E-02 Delta_ex -0.7119205E-02 Delta_ec 0.1693216E-02 Delta_et -0.1547543E-01 Pxc 0.5081805E+01 Qxc -0.4204547E+01 3,+1 57 3 -1 -4.301610 3.691359 -0.792130 Rho 0.3348110E+00 |GRAD(Rho)| 0.2305504E-15 GRAD(Rho)x 0.1999066E-15 GRAD(Rho)y -0.1138510E-15 GRAD(Rho)z -0.1512631E-16 Laplacian -0.1756116E+01 (-1/4)Del**2(Rho)) 0.4390289E+00 Diamond 0.6345303E+01 Metallicity -0.6334702E+01 Ellipticity 0.1577841E-02 Gb(Abramov) 0.1708336E+00 Vb(Abramov) -0.7806961E+00 Hb(Abramov) -0.6098625E+00 Ex_ueg -0.1717057E+00 Ec_ueg -0.2124034E-01 Delta_ex 0.1784679E+00 Delta_ec 0.6045450E-01 Delta_et -0.1464997E+01 Pxc 0.8083943E+01 Qxc 0.2952103E+01 3,-1 58 3 -1 -1.740184 0.565577 1.713917 Rho 0.4132118E-01 |GRAD(Rho)| 0.1085887E-14 GRAD(Rho)x 0.1865702E-15 GRAD(Rho)y 0.6435181E-15 GRAD(Rho)z 0.8545332E-15 Laplacian 0.1646639E+00 (-1/4)Del**2(Rho)) -0.4116598E-01 Diamond 0.6322830E-01 Metallicity 0.2066820E+01 Ellipticity 0.2157149E-01 Gb(Abramov) 0.4162443E-01 Vb(Abramov) -0.4208288E-01 Hb(Abramov) -0.4584512E-03 Ex_ueg -0.1055072E-01 Ec_ueg -0.1941079E-02 Delta_ex -0.1285706E-01 Delta_ec 0.4795373E-02 Delta_et -0.4806008E-01 Pxc 0.5435491E+01 Qxc -0.2681139E+01 3,-1 59 3 -1 -3.218165 3.201057 -0.077758 Rho 0.1541540E+00 |GRAD(Rho)| 0.8962822E-16 GRAD(Rho)x -0.5637851E-16 GRAD(Rho)y 0.6892815E-16 GRAD(Rho)z -0.1017795E-16 Laplacian 0.5844954E+00 (-1/4)Del**2(Rho)) -0.1461238E+00 Diamond 0.1253546E+01 Metallicity 0.5225044E+01 Ellipticity 0.1103813E+00 Gb(Abramov) 0.2246665E+00 Vb(Abramov) -0.3032091E+00 Hb(Abramov) -0.7854264E-01 Ex_ueg -0.6104611E-01 Ec_ueg -0.8709956E-02 Delta_ex -0.6347689E-01 Delta_ec 0.1523622E-01 Delta_et -0.2047997E+00 Pxc 0.7008774E+01 Qxc -0.4166183E+01 3,-1 60 3 -1 -3.029908 -0.871326 -2.024752 Rho 0.1020456E+00 |GRAD(Rho)| 0.1955477E-13 GRAD(Rho)x -0.8266642E-14 GRAD(Rho)y 0.8917204E-14 GRAD(Rho)z -0.1531454E-13 Laplacian 0.4223611E+00 (-1/4)Del**2(Rho)) -0.1055903E+00 Diamond 0.5550488E+00 Metallicity 0.3635688E+01 Ellipticity 0.3742071E-02 Gb(Abramov) 0.1343757E+00 Vb(Abramov) -0.1631612E+00 Hb(Abramov) -0.2878545E-01 Ex_ueg -0.3521905E-01 Ec_ueg -0.5449135E-02 Delta_ex -0.4163407E-01 Delta_ec 0.1222308E-01 Delta_et -0.1530735E+00 Pxc 0.6463237E+01 Qxc -0.3406184E+01 3,-1 61 3 +1 0.522142 -1.656948 -0.554744 Rho 0.8747973E-02 |GRAD(Rho)| 0.1759608E-10 GRAD(Rho)x 0.1439673E-10 GRAD(Rho)y -0.9831631E-11 GRAD(Rho)z 0.2386468E-11 Laplacian 0.3313638E-01 (-1/4)Del**2(Rho)) -0.8284096E-02 Diamond 0.9194018E-03 Metallicity 0.7723612E+00 Ellipticity -0.1503718E+01 Gb(Abramov) 0.6589116E-02 Vb(Abramov) -0.4894137E-02 Hb(Abramov) 0.1694980E-02 Ex_ueg -0.1331256E-02 Ec_ueg -0.3116057E-03 Delta_ex -0.1525539E-02 Delta_ec 0.4755367E-03 Delta_et -0.3257075E-02 Pxc 0.4272246E+01 Qxc -0.3208037E+01 3,+1 62 3 +1 -2.965099 -0.204089 -0.229460 Rho 0.5530926E-02 |GRAD(Rho)| 0.9846283E-17 GRAD(Rho)x 0.6709375E-18 GRAD(Rho)y -0.3425027E-17 GRAD(Rho)z 0.9206971E-17 Laplacian 0.2278404E-01 (-1/4)Del**2(Rho)) -0.5696010E-02 Diamond 0.5076523E-03 Metallicity 0.5231732E+00 Ellipticity -0.1803681E+01 Gb(Abramov) 0.4294006E-02 Vb(Abramov) -0.2892003E-02 Hb(Abramov) 0.1402003E-02 Ex_ueg -0.7224074E-03 Ec_ueg -0.1698318E-03 Delta_ex -0.1073347E-02 Delta_ec 0.5712350E-03 Delta_et -0.3256024E-02 Pxc 0.4253664E+01 Qxc -0.1878994E+01 3,+1 63 3 +1 -1.074202 -2.198728 -1.428888 Rho 0.2580710E-01 |GRAD(Rho)| 0.5236247E-12 GRAD(Rho)x 0.3698756E-12 GRAD(Rho)y -0.3682029E-12 GRAD(Rho)z -0.4244371E-13 Laplacian 0.9874135E-01 (-1/4)Del**2(Rho)) -0.2468534E-01 Diamond 0.1206252E-01 Metallicity 0.1572822E+01 Ellipticity -0.2603014E+01 Gb(Abramov) 0.2292783E-01 Vb(Abramov) -0.2117032E-01 Hb(Abramov) 0.1757507E-02 Ex_ueg -0.5632537E-02 Ec_ueg -0.1129436E-02 Delta_ex -0.6044785E-02 Delta_ec 0.1409923E-02 Delta_et -0.1259805E-01 Pxc 0.4987036E+01 Qxc -0.4287317E+01 3,+1 64 3 +3 -2.313400 -0.013639 -0.041490 Rho 0.4748933E-02 |GRAD(Rho)| 0.2950836E-17 GRAD(Rho)x -0.6726389E-18 GRAD(Rho)y -0.2538562E-17 GRAD(Rho)z -0.1345620E-17 Laplacian 0.1974186E-01 (-1/4)Del**2(Rho)) -0.4935464E-02 Diamond 0.1776233E-03 Metallicity 0.4683299E+00 Ellipticity -0.4069532E+00 Gb(Abramov) 0.3675547E-02 Vb(Abramov) -0.2415630E-02 Hb(Abramov) 0.1259917E-02 Ex_ueg -0.5895398E-03 Ec_ueg -0.1361244E-03 Delta_ex -0.7212808E-03 Delta_ec 0.1742404E-03 Delta_et -0.1113594E-02 Pxc 0.4330889E+01 Qxc -0.4139573E+01 3,+3 65 3 -1 -3.232303 -3.199735 0.083592 Rho 0.2347745E+00 |GRAD(Rho)| 0.3045632E-10 GRAD(Rho)x -0.2094316E-10 GRAD(Rho)y -0.2087217E-10 GRAD(Rho)z 0.7302317E-11 Laplacian 0.8620445E+00 (-1/4)Del**2(Rho)) -0.2155111E+00 Diamond 0.2964981E+01 Metallicity 0.7142247E+01 Ellipticity 0.1058423E-02 Gb(Abramov) 0.4002130E+00 Vb(Abramov) -0.5849149E+00 Hb(Abramov) -0.1847019E+00 Ex_ueg -0.1069677E+00 Ec_ueg -0.1407863E-01 Delta_ex -0.1035336E+00 Delta_ec 0.1912711E-01 Delta_et -0.2645555E+00 Pxc 0.7597878E+01 Qxc -0.5412925E+01 3,-1 66 3 +1 -1.680115 0.513550 -0.594470 Rho 0.8851062E-02 |GRAD(Rho)| 0.9030181E-15 GRAD(Rho)x 0.5319789E-15 GRAD(Rho)y -0.7201311E-15 GRAD(Rho)z -0.1176920E-15 Laplacian 0.3491424E-01 (-1/4)Del**2(Rho)) -0.8728560E-02 Diamond 0.9810641E-03 Metallicity 0.7474857E+00 Ellipticity -0.1454827E+01 Gb(Abramov) 0.6906453E-02 Vb(Abramov) -0.5084345E-02 Hb(Abramov) 0.1822108E-02 Ex_ueg -0.1352214E-02 Ec_ueg -0.3162273E-03 Delta_ex -0.1610743E-02 Delta_ec 0.4985280E-03 Delta_et -0.3426878E-02 Pxc 0.4276084E+01 Qxc -0.3230999E+01 3,+1 67 3 +3 -1.097139 1.138631 -1.178760 Rho 0.5078892E-02 |GRAD(Rho)| 0.8449864E-17 GRAD(Rho)x 0.4135693E-17 GRAD(Rho)y -0.6981376E-17 GRAD(Rho)z -0.2357251E-17 Laplacian 0.1919999E-01 (-1/4)Del**2(Rho)) -0.4799998E-02 Diamond 0.1348544E-03 Metallicity 0.5385926E+00 Ellipticity -0.3118930E+00 Gb(Abramov) 0.3630873E-02 Vb(Abramov) -0.2461747E-02 Hb(Abramov) 0.1169125E-02 Ex_ueg -0.6447782E-03 Ec_ueg -0.1503094E-03 Delta_ex -0.6642981E-03 Delta_ec 0.8111540E-04 Delta_et -0.6538713E-03 Pxc 0.4289673E+01 Qxc -0.8189543E+01 3,+3 68 3 -1 -3.008106 0.852444 1.997342 Rho 0.1424263E+00 |GRAD(Rho)| 0.4275806E-14 GRAD(Rho)x 0.1098690E-14 GRAD(Rho)y 0.4599186E-15 GRAD(Rho)z 0.4106565E-14 Laplacian 0.5578035E+00 (-1/4)Del**2(Rho)) -0.1394509E+00 Diamond 0.1062196E+01 Metallicity 0.4798611E+01 Ellipticity 0.5127621E-01 Gb(Abramov) 0.2044956E+00 Vb(Abramov) -0.2695404E+00 Hb(Abramov) -0.6504478E-01 Ex_ueg -0.5493366E-01 Ec_ueg -0.7960463E-02 Delta_ex -0.5914746E-01 Delta_ec 0.1433491E-01 Delta_et -0.1894127E+00 Pxc 0.6900812E+01 Qxc -0.4126114E+01 3,-1 69 3 +1 -0.550898 0.562661 -1.711578 Rho 0.8326886E-02 |GRAD(Rho)| 0.3539766E-16 GRAD(Rho)x -0.3336119E-16 GRAD(Rho)y -0.9320215E-17 GRAD(Rho)z -0.7291002E-17 Laplacian 0.3077693E-01 (-1/4)Del**2(Rho)) -0.7694233E-02 Diamond 0.7844761E-03 Metallicity 0.7659356E+00 Ellipticity -0.1490467E+01 Gb(Abramov) 0.6111703E-02 Vb(Abramov) -0.4529173E-02 Hb(Abramov) 0.1582530E-02 Ex_ueg -0.1246508E-02 Ec_ueg -0.2927769E-03 Delta_ex -0.1392837E-02 Delta_ec 0.4299564E-03 Delta_et -0.2916986E-02 Pxc 0.4257537E+01 Qxc -0.3239484E+01 3,+1 70 3 -1 -2.965596 1.969223 0.846763 Rho 0.1285639E+00 |GRAD(Rho)| 0.9734962E-16 GRAD(Rho)x -0.1704908E-16 GRAD(Rho)y 0.5513168E-16 GRAD(Rho)z 0.7840137E-16 Laplacian 0.5018179E+00 (-1/4)Del**2(Rho)) -0.1254545E+00 Diamond 0.8402701E+00 Metallicity 0.4497098E+01 Ellipticity 0.2676229E-01 Gb(Abramov) 0.1776665E+00 Vb(Abramov) -0.2298785E+00 Hb(Abramov) -0.5221201E-01 Ex_ueg -0.4792299E-01 Ec_ueg -0.7085770E-02 Delta_ex -0.5184884E-01 Delta_ec 0.1311623E-01 Delta_et -0.1703746E+00 Pxc 0.6763273E+01 Qxc -0.3953029E+01 3,-1 71 3 +3 -1.943790 1.962293 1.981944 Rho 0.1211250E-01 |GRAD(Rho)| 0.6945739E-14 GRAD(Rho)x 0.3662042E-14 GRAD(Rho)y -0.3876343E-14 GRAD(Rho)z -0.4450473E-14 Laplacian 0.5573947E-01 (-1/4)Del**2(Rho)) -0.1393487E-01 Diamond 0.1516040E-02 Metallicity 0.7897804E+00 Ellipticity -0.9266049E+00 Gb(Abramov) 0.1112416E-01 Vb(Abramov) -0.8313451E-02 Hb(Abramov) 0.2810708E-02 Ex_ueg -0.2054455E-02 Ec_ueg -0.4647647E-03 Delta_ex -0.2533622E-02 Delta_ec 0.3432533E-03 Delta_et -0.2870453E-02 Pxc 0.4420419E+01 Qxc -0.7381203E+01 3,+3 72 3 +1 -0.229394 -2.935203 -0.221973 Rho 0.5717315E-02 |GRAD(Rho)| 0.2513469E-13 GRAD(Rho)x -0.2512227E-13 GRAD(Rho)y -0.7470527E-15 GRAD(Rho)z -0.2574614E-15 Laplacian 0.2326649E-01 (-1/4)Del**2(Rho)) -0.5816622E-02 Diamond 0.5482377E-03 Metallicity 0.5414219E+00 Ellipticity -0.1938990E+01 Gb(Abramov) 0.4402622E-02 Vb(Abramov) -0.2988623E-02 Hb(Abramov) 0.1413999E-02 Ex_ueg -0.7550479E-03 Ec_ueg -0.1779112E-03 Delta_ex -0.1108558E-02 Delta_ec 0.5918642E-03 Delta_et -0.3402125E-02 Pxc 0.4243960E+01 Qxc -0.1872993E+01 3,+1 73 3 -1 -3.046714 -2.005621 -0.855233 Rho 0.1614507E+00 |GRAD(Rho)| 0.6738956E-14 GRAD(Rho)x 0.5474842E-14 GRAD(Rho)y 0.3472496E-14 GRAD(Rho)z -0.1838861E-14 Laplacian 0.6261700E+00 (-1/4)Del**2(Rho)) -0.1565425E+00 Diamond 0.1382400E+01 Metallicity 0.5268100E+01 Ellipticity 0.3705293E-01 Gb(Abramov) 0.2418086E+00 Vb(Abramov) -0.3270747E+00 Hb(Abramov) -0.8526611E-01 Ex_ueg -0.6492893E-01 Ec_ueg -0.9180507E-02 Delta_ex -0.6844401E-01 Delta_ec 0.1553610E-01 Delta_et -0.2086893E+00 Pxc 0.7072478E+01 Qxc -0.4405481E+01 3,-1 74 3 -1 -2.784752 -1.795202 0.542838 Rho 0.1335479E+00 |GRAD(Rho)| 0.2324728E-15 GRAD(Rho)x -0.1483527E-15 GRAD(Rho)y 0.1419627E-15 GRAD(Rho)z 0.1090030E-15 Laplacian 0.5566083E+00 (-1/4)Del**2(Rho)) -0.1391521E+00 Diamond 0.9808321E+00 Metallicity 0.4319749E+01 Ellipticity 0.1145550E-01 Gb(Abramov) 0.1929517E+00 Vb(Abramov) -0.2467514E+00 Hb(Abramov) -0.5379964E-01 Ex_ueg -0.5041592E-01 Ec_ueg -0.7398813E-02 Delta_ex -0.5810205E-01 Delta_ec 0.1452476E-01 Delta_et -0.1900312E+00 Pxc 0.6814056E+01 Qxc -0.4000206E+01 3,-1 75 3 +1 -1.758695 -1.737905 1.755200 Rho 0.1257654E-01 |GRAD(Rho)| 0.5895480E-12 GRAD(Rho)x -0.4691737E-12 GRAD(Rho)y -0.1838491E-12 GRAD(Rho)z -0.3060104E-12 Laplacian 0.6314724E-01 (-1/4)Del**2(Rho)) -0.1578681E-01 Diamond 0.2645173E-02 Metallicity 0.7422111E+00 Ellipticity -0.1242888E+01 Gb(Abramov) 0.1247740E-01 Vb(Abramov) -0.9167985E-02 Hb(Abramov) 0.3309412E-02 Ex_ueg -0.2160064E-02 Ec_ueg -0.4862491E-03 Delta_ex -0.3128200E-02 Delta_ec 0.7937685E-03 Delta_et -0.6039869E-02 Pxc 0.4442299E+01 Qxc -0.3940948E+01 3,+1 76 3 -1 0.031506 -2.926888 0.046599 Rho 0.5874759E-02 |GRAD(Rho)| 0.4165647E-11 GRAD(Rho)x -0.2887977E-14 GRAD(Rho)y -0.4164318E-11 GRAD(Rho)z 0.1051953E-12 Laplacian 0.2330753E-01 (-1/4)Del**2(Rho)) -0.5826883E-02 Diamond 0.7667866E-03 Metallicity 0.5655012E+00 Ellipticity 0.2363142E+01 Gb(Abramov) 0.4433774E-02 Vb(Abramov) -0.3040664E-02 Hb(Abramov) 0.1393109E-02 Ex_ueg -0.7828978E-03 Ec_ueg -0.1847493E-03 Delta_ex -0.1264521E-02 Delta_ec 0.8564652E-03 Delta_et -0.4833194E-02 Pxc 0.4237622E+01 Qxc -0.1476442E+01 3,-1 77 3 -1 -2.757207 1.808754 -0.540070 Rho 0.1709723E+00 |GRAD(Rho)| 0.2197490E-15 GRAD(Rho)x 0.9054443E-16 GRAD(Rho)y -0.1578869E-15 GRAD(Rho)z 0.1231383E-15 Laplacian 0.7271517E+00 (-1/4)Del**2(Rho)) -0.1817879E+00 Diamond 0.1686807E+01 Metallicity 0.4991116E+01 Ellipticity 0.2988387E-01 Gb(Abramov) 0.2724127E+00 Vb(Abramov) -0.3630375E+00 Hb(Abramov) -0.9062479E-01 Ex_ueg -0.7008407E-01 Ec_ueg -0.9799296E-02 Delta_ex -0.8035029E-01 Delta_ec 0.1728666E-01 Delta_et -0.2324297E+00 Pxc 0.7151950E+01 Qxc -0.4648110E+01 3,-1 78 3 +1 -1.990271 2.002243 2.021576 Rho 0.1211737E-01 |GRAD(Rho)| 0.1255623E-16 GRAD(Rho)x -0.3062287E-17 GRAD(Rho)y -0.9671262E-17 GRAD(Rho)z 0.7399196E-17 Laplacian 0.5598051E-01 (-1/4)Del**2(Rho)) -0.1399513E-01 Diamond 0.1699880E-02 Metallicity 0.7869071E+00 Ellipticity -0.1061092E+01 Gb(Abramov) 0.1116556E-01 Vb(Abramov) -0.8335998E-02 Hb(Abramov) 0.2829565E-02 Ex_ueg -0.2055557E-02 Ec_ueg -0.4649898E-03 Delta_ex -0.2595199E-02 Delta_ec 0.4345929E-03 Delta_et -0.3489736E-02 Pxc 0.4420649E+01 Qxc -0.5971563E+01 3,+1 79 3 +1 0.530518 0.607594 1.723973 Rho 0.6910312E-02 |GRAD(Rho)| 0.2066613E-12 GRAD(Rho)x 0.1306428E-12 GRAD(Rho)y -0.1592421E-12 GRAD(Rho)z 0.1683259E-13 Laplacian 0.2529848E-01 (-1/4)Del**2(Rho)) -0.6324619E-02 Diamond 0.4905884E-03 Metallicity 0.6828861E+00 Ellipticity -0.1401739E+01 Gb(Abramov) 0.4936245E-02 Vb(Abramov) -0.3547871E-02 Hb(Abramov) 0.1388374E-02 Ex_ueg -0.9721098E-03 Ec_ueg -0.2300255E-03 Delta_ex -0.1086769E-02 Delta_ec 0.3429267E-03 Delta_et -0.2226045E-02 Pxc 0.4226096E+01 Qxc -0.3169100E+01 3,+1 80 3 -1 -2.794846 0.575876 -1.831271 Rho 0.9402852E-01 |GRAD(Rho)| 0.8282713E-16 GRAD(Rho)x -0.5948035E-16 GRAD(Rho)y 0.4837575E-16 GRAD(Rho)z -0.3134022E-16 Laplacian 0.4044097E+00 (-1/4)Del**2(Rho)) -0.1011024E+00 Diamond 0.4890841E+00 Metallicity 0.3313021E+01 Ellipticity 0.3632173E-02 Gb(Abramov) 0.1232274E+00 Vb(Abramov) -0.1453523E+00 Hb(Abramov) -0.2212494E-01 Ex_ueg -0.3157896E-01 Ec_ueg -0.4964763E-02 Delta_ex -0.3926313E-01 Delta_ec 0.1216353E-01 Delta_et -0.1500317E+00 Pxc 0.6360618E+01 Qxc -0.3227940E+01 3,-1 81 3 -1 -2.022989 0.845793 3.021097 Rho 0.1636020E+00 |GRAD(Rho)| 0.7284221E-15 GRAD(Rho)x 0.4063996E-15 GRAD(Rho)y 0.4738777E-15 GRAD(Rho)z 0.3753372E-15 Laplacian 0.6411442E+00 (-1/4)Del**2(Rho)) -0.1602861E+00 Diamond 0.1432576E+01 Metallicity 0.5259833E+01 Ellipticity 0.3860309E-01 Gb(Abramov) 0.2473703E+00 Vb(Abramov) -0.3344546E+00 Hb(Abramov) -0.8708429E-01 Ex_ueg -0.6608506E-01 Ec_ueg -0.9319851E-02 Delta_ex -0.7026240E-01 Delta_ec 0.1576587E-01 Delta_et -0.2118918E+00 Pxc 0.7090786E+01 Qxc -0.4456613E+01 3,-1 82 3 -1 -1.824278 0.583461 -2.868553 Rho 0.1381038E+00 |GRAD(Rho)| 0.1135828E-13 GRAD(Rho)x -0.3555641E-14 GRAD(Rho)y -0.1071907E-13 GRAD(Rho)z -0.1212152E-14 Laplacian 0.5804634E+00 (-1/4)Del**2(Rho)) -0.1451159E+00 Diamond 0.1089052E+01 Metallicity 0.4380406E+01 Ellipticity 0.1769076E-01 Gb(Abramov) 0.2026883E+00 Vb(Abramov) -0.2602607E+00 Hb(Abramov) -0.5757245E-01 Ex_ueg -0.5272209E-01 Ec_ueg -0.7686391E-02 Delta_ex -0.6135545E-01 Delta_ec 0.1550388E-01 Delta_et -0.2048800E+00 Pxc 0.6859147E+01 Qxc -0.3957425E+01 3,-1 83 3 -1 -0.847505 2.004112 3.041251 Rho 0.1002460E+00 |GRAD(Rho)| 0.3635308E-15 GRAD(Rho)x -0.3241561E-15 GRAD(Rho)y -0.1506363E-15 GRAD(Rho)z 0.6622781E-16 Laplacian 0.4169712E+00 (-1/4)Del**2(Rho)) -0.1042428E+00 Diamond 0.5373122E+00 Metallicity 0.3575081E+01 Ellipticity 0.7808463E-02 Gb(Abramov) 0.1316079E+00 Vb(Abramov) -0.1589731E+00 Hb(Abramov) -0.2736514E-01 Ex_ueg -0.3439337E-01 Ec_ueg -0.5339959E-02 Delta_ex -0.4095104E-01 Delta_ec 0.1214372E-01 Delta_et -0.1515648E+00 Pxc 0.6440755E+01 Qxc -0.3372199E+01 3,-1 84 3 +1 0.540454 -0.566887 -1.690189 Rho 0.8591176E-02 |GRAD(Rho)| 0.3260912E-15 GRAD(Rho)x -0.2661962E-15 GRAD(Rho)y -0.1789146E-15 GRAD(Rho)z 0.5886073E-16 Laplacian 0.3246254E-01 (-1/4)Del**2(Rho)) -0.8115636E-02 Diamond 0.8777305E-03 Metallicity 0.7649828E+00 Ellipticity -0.1497058E+01 Gb(Abramov) 0.6445144E-02 Vb(Abramov) -0.4774653E-02 Hb(Abramov) 0.1670492E-02 Ex_ueg -0.1299537E-02 Ec_ueg -0.3045853E-03 Delta_ex -0.1487235E-02 Delta_ec 0.4650222E-03 Delta_et -0.3170886E-02 Pxc 0.4266577E+01 Qxc -0.3198202E+01 3,+1 85 3 -1 -2.002367 2.990324 0.849445 Rho 0.1668001E+00 |GRAD(Rho)| 0.6318058E-15 GRAD(Rho)x -0.4306858E-15 GRAD(Rho)y -0.4229744E-16 GRAD(Rho)z -0.4603251E-15 Laplacian 0.6696807E+00 (-1/4)Del**2(Rho)) -0.1674202E+00 Diamond 0.1516182E+01 Metallicity 0.5200829E+01 Ellipticity 0.1786891E-01 Gb(Abramov) 0.2567341E+00 Vb(Abramov) -0.3460479E+00 Hb(Abramov) -0.8931388E-01 Ex_ueg -0.6781308E-01 Ec_ueg -0.9527497E-02 Delta_ex -0.7361212E-01 Delta_ec 0.1614885E-01 Delta_et -0.2168977E+00 Pxc 0.7117617E+01 Qxc -0.4558352E+01 3,-1 86 3 +1 -1.665948 -0.504104 0.511544 Rho 0.8704650E-02 |GRAD(Rho)| 0.1357376E-16 GRAD(Rho)x 0.1095063E-16 GRAD(Rho)y 0.8020231E-17 GRAD(Rho)z -0.8050122E-19 Laplacian 0.3377978E-01 (-1/4)Del**2(Rho)) -0.8444945E-02 Diamond 0.9295726E-03 Metallicity 0.7514070E+00 Ellipticity -0.1469856E+01 Gb(Abramov) 0.6687562E-02 Vb(Abramov) -0.4930178E-02 Hb(Abramov) 0.1757383E-02 Ex_ueg -0.1322473E-02 Ec_ueg -0.3096649E-03 Delta_ex -0.1552607E-02 Delta_ec 0.4836926E-03 Delta_et -0.3309548E-02 Pxc 0.4270659E+01 Qxc -0.3209905E+01 3,+1 87 3 -1 -1.822291 -2.757717 0.538991 Rho 0.1333747E+00 |GRAD(Rho)| 0.6775986E-12 GRAD(Rho)x -0.5250853E-12 GRAD(Rho)y 0.4792463E-13 GRAD(Rho)z -0.4255920E-12 Laplacian 0.5562575E+00 (-1/4)Del**2(Rho)) -0.1390644E+00 Diamond 0.9784443E+00 Metallicity 0.4313134E+01 Ellipticity 0.1175309E-01 Gb(Abramov) 0.1926768E+00 Vb(Abramov) -0.2462892E+00 Hb(Abramov) -0.5361243E-01 Ex_ueg -0.5032876E-01 Ec_ueg -0.7387907E-02 Delta_ex -0.5804437E-01 Delta_ec 0.1451510E-01 Delta_et -0.1898560E+00 Pxc 0.6812317E+01 Qxc -0.3998896E+01 3,-1 88 3 -1 -2.034128 -3.028024 -0.853681 Rho 0.1565343E+00 |GRAD(Rho)| 0.3447212E-13 GRAD(Rho)x 0.2682400E-13 GRAD(Rho)y 0.1482705E-13 GRAD(Rho)z -0.1577842E-13 Laplacian 0.6079184E+00 (-1/4)Del**2(Rho)) -0.1519796E+00 Diamond 0.1293356E+01 Metallicity 0.5153673E+01 Ellipticity 0.3493902E-01 Gb(Abramov) 0.2318619E+00 Vb(Abramov) -0.3117443E+00 Hb(Abramov) -0.7988233E-01 Ex_ueg -0.6230615E-01 Ec_ueg -0.8863104E-02 Delta_ex -0.6594325E-01 Delta_ec 0.1520490E-01 Delta_et -0.2034422E+00 Pxc 0.7029834E+01 Qxc -0.4336973E+01 3,-1 89 3 +1 0.162938 -2.927129 0.181297 Rho 0.5849304E-02 |GRAD(Rho)| 0.4131338E-17 GRAD(Rho)x -0.6028487E-19 GRAD(Rho)y 0.4554100E-18 GRAD(Rho)z 0.4105718E-17 Laplacian 0.2403274E-01 (-1/4)Del**2(Rho)) -0.6008186E-02 Diamond 0.6589010E-03 Metallicity 0.5444819E+00 Ellipticity -0.2978152E+01 Gb(Abramov) 0.4550682E-02 Vb(Abramov) -0.3093178E-02 Hb(Abramov) 0.1457504E-02 Ex_ueg -0.7783781E-03 Ec_ueg -0.1836429E-03 Delta_ex -0.1207033E-02 Delta_ec 0.7121146E-03 Delta_et -0.4071325E-02 Pxc 0.4238541E+01 Qxc -0.1694998E+01 3,+1 90 3 +1 -1.763105 1.783750 -1.775210 Rho 0.1149704E-01 |GRAD(Rho)| 0.2157594E-16 GRAD(Rho)x -0.1421525E-16 GRAD(Rho)y 0.2026401E-17 GRAD(Rho)z 0.1610409E-16 Laplacian 0.5444799E-01 (-1/4)Del**2(Rho)) -0.1361200E-01 Diamond 0.1999348E-02 Metallicity 0.7412104E+00 Ellipticity -0.1273125E+01 Gb(Abramov) 0.1075622E-01 Vb(Abramov) -0.7900450E-02 Hb(Abramov) 0.2855773E-02 Ex_ueg -0.1916461E-02 Ec_ueg -0.4364008E-03 Delta_ex -0.2628603E-02 Delta_ec 0.6750459E-03 Delta_et -0.5033774E-02 Pxc 0.4391515E+01 Qxc -0.3893962E+01 3,+1 91 3 -1 -1.701182 1.743881 0.500837 Rho 0.6198356E-01 |GRAD(Rho)| 0.7072762E-16 GRAD(Rho)x -0.5090160E-16 GRAD(Rho)y 0.1294436E-16 GRAD(Rho)z -0.4736947E-16 Laplacian 0.2480913E+00 (-1/4)Del**2(Rho)) -0.6202282E-01 Diamond 0.1646491E+00 Metallicity 0.2696471E+01 Ellipticity 0.2696358E-01 Gb(Abramov) 0.6922234E-01 Vb(Abramov) -0.7642186E-01 Hb(Abramov) -0.7199520E-02 Ex_ueg -0.1811703E-01 Ec_ueg -0.3087268E-02 Delta_ex -0.2144302E-01 Delta_ec 0.7161814E-02 Delta_et -0.7969015E-01 Pxc 0.5868306E+01 Qxc -0.2994077E+01 3,-1 92 3 -1 -1.787675 2.799036 -0.560072 Rho 0.1754803E+00 |GRAD(Rho)| 0.5383810E-14 GRAD(Rho)x -0.3674009E-14 GRAD(Rho)y -0.1031307E-14 GRAD(Rho)z 0.3797825E-14 Laplacian 0.7254305E+00 (-1/4)Del**2(Rho)) -0.1813576E+00 Diamond 0.1744812E+01 Metallicity 0.5224738E+01 Ellipticity 0.2453731E-01 Gb(Abramov) 0.2788294E+00 Vb(Abramov) -0.3763012E+00 Hb(Abramov) -0.9747180E-01 Ex_ueg -0.7255869E-01 Ec_ueg -0.1009411E-01 Delta_ex -0.8075669E-01 Delta_ec 0.1725131E-01 Delta_et -0.2329458E+00 Pxc 0.7188220E+01 Qxc -0.4681191E+01 3,-1 93 3 +1 -0.492568 1.706455 -0.622084 Rho 0.8411326E-02 |GRAD(Rho)| 0.8659326E-14 GRAD(Rho)x -0.8307754E-14 GRAD(Rho)y 0.2119692E-14 GRAD(Rho)z -0.1213281E-14 Laplacian 0.3278742E-01 (-1/4)Del**2(Rho)) -0.8196854E-02 Diamond 0.8625399E-03 Metallicity 0.7311616E+00 Ellipticity -0.1450971E+01 Gb(Abramov) 0.6463441E-02 Vb(Abramov) -0.4730027E-02 Hb(Abramov) 0.1733414E-02 Ex_ueg -0.1263391E-02 Ec_ueg -0.2965462E-03 Delta_ex -0.1494691E-02 Delta_ec 0.4706799E-03 Delta_et -0.3191153E-02 Pxc 0.4260350E+01 Qxc -0.3175599E+01 3,+1 94 3 -1 -1.754821 -1.727939 -0.565948 Rho 0.4644429E-01 |GRAD(Rho)| 0.4555218E-16 GRAD(Rho)x 0.7933311E-17 GRAD(Rho)y 0.3900883E-16 GRAD(Rho)z -0.2214441E-16 Laplacian 0.1895492E+00 (-1/4)Del**2(Rho)) -0.4738731E-01 Diamond 0.8621638E-01 Metallicity 0.2181616E+01 Ellipticity 0.1642080E-01 Gb(Abramov) 0.4882169E-01 Vb(Abramov) -0.5025608E-01 Hb(Abramov) -0.1434385E-02 Ex_ueg -0.1232996E-01 Ec_ueg -0.2219291E-02 Delta_ex -0.1528250E-01 Delta_ec 0.5591255E-02 Delta_et -0.5781415E-01 Pxc 0.5555809E+01 Qxc -0.2733287E+01 3,-1 95 3 +3 -1.105104 -1.067250 1.118336 Rho 0.5071210E-02 |GRAD(Rho)| 0.7515565E-14 GRAD(Rho)x -0.4848367E-14 GRAD(Rho)y 0.3528132E-14 GRAD(Rho)z -0.4530931E-14 Laplacian 0.1984341E-01 (-1/4)Del**2(Rho)) -0.4960852E-02 Diamond 0.1444144E-03 Metallicity 0.5198159E+00 Ellipticity -0.1371339E+00 Gb(Abramov) 0.3737023E-02 Vb(Abramov) -0.2513194E-02 Hb(Abramov) 0.1223829E-02 Ex_ueg -0.6434782E-03 Ec_ueg -0.1499785E-03 Delta_ex -0.6911265E-03 Delta_ec 0.9250461E-04 Delta_et -0.7194039E-03 Pxc 0.4290469E+01 Qxc -0.7471266E+01 3,+3 96 3 +3 -0.015458 0.079813 2.348807 Rho 0.3972828E-02 |GRAD(Rho)| 0.8308489E-17 GRAD(Rho)x -0.4502559E-17 GRAD(Rho)y -0.6950027E-17 GRAD(Rho)z -0.6745894E-18 Laplacian 0.1565505E-01 (-1/4)Del**2(Rho)) -0.3913764E-02 Diamond 0.1070099E-03 Metallicity 0.4386567E+00 Ellipticity -0.2186380E+00 Gb(Abramov) 0.2895309E-02 Vb(Abramov) -0.1876854E-02 Hb(Abramov) 0.1018455E-02 Ex_ueg -0.4647129E-03 Ec_ueg -0.1029808E-03 Delta_ex -0.5419562E-03 Delta_ec 0.1301695E-03 Delta_et -0.8091112E-03 Pxc 0.4512618E+01 Qxc -0.4163465E+01 3,+3 97 3 -1 -2.021145 -0.892396 -3.104412 Rho 0.1334843E+00 |GRAD(Rho)| 0.2053574E-15 GRAD(Rho)x -0.1862253E-15 GRAD(Rho)y -0.5044251E-16 GRAD(Rho)z 0.7033762E-16 Laplacian 0.5343521E+00 (-1/4)Del**2(Rho)) -0.1335880E+00 Diamond 0.9627187E+00 Metallicity 0.4496099E+01 Ellipticity 0.8693308E-02 Gb(Abramov) 0.1891628E+00 Vb(Abramov) -0.2447376E+00 Hb(Abramov) -0.5557481E-01 Ex_ueg -0.5038391E-01 Ec_ueg -0.7394807E-02 Delta_ex -0.5602427E-01 Delta_ec 0.1439531E-01 Delta_et -0.1891961E+00 Pxc 0.6813417E+01 Qxc -0.3891842E+01 3,-1 98 3 +1 -0.087418 -0.093680 -2.957258 Rho 0.4880618E-02 |GRAD(Rho)| 0.3219631E-17 GRAD(Rho)x 0.2647664E-17 GRAD(Rho)y -0.1595969E-17 GRAD(Rho)z -0.8993240E-18 Laplacian 0.1852229E-01 (-1/4)Del**2(Rho)) -0.4630573E-02 Diamond 0.4207038E-03 Metallicity 0.5224481E+00 Ellipticity -0.7221401E+01 Gb(Abramov) 0.3490254E-02 Vb(Abramov) -0.2349936E-02 Hb(Abramov) 0.1140319E-02 Ex_ueg -0.6114367E-03 Ec_ueg -0.1417789E-03 Delta_ex -0.9190969E-03 Delta_ec 0.5876497E-03 Delta_et -0.3166566E-02 Pxc 0.4312606E+01 Qxc -0.1564022E+01 3,+1 99 3 +1 -1.193729 -1.315427 -2.238396 Rho 0.2536473E-01 |GRAD(Rho)| 0.5424300E-16 GRAD(Rho)x -0.2324514E-17 GRAD(Rho)y 0.4703091E-17 GRAD(Rho)z -0.5398871E-16 Laplacian 0.9461037E-01 (-1/4)Del**2(Rho)) -0.2365259E-01 Diamond 0.1339484E-01 Metallicity 0.1594868E+01 Ellipticity -0.1137064E+02 Gb(Abramov) 0.2205552E-01 Vb(Abramov) -0.2045845E-01 Hb(Abramov) 0.1597070E-02 Ex_ueg -0.5504172E-02 Ec_ueg -0.1107095E-02 Delta_ex -0.5989272E-02 Delta_ec 0.1752229E-02 Delta_et -0.1548956E-01 Pxc 0.4971724E+01 Qxc -0.3418088E+01 3,+1 100 3 -1 -1.737132 -0.532998 -1.792368 Rho 0.4323649E-01 |GRAD(Rho)| 0.1049108E-13 GRAD(Rho)x -0.6485976E-14 GRAD(Rho)y 0.2659246E-14 GRAD(Rho)z -0.7805342E-14 Laplacian 0.1867723E+00 (-1/4)Del**2(Rho)) -0.4669307E-01 Diamond 0.8356483E-01 Metallicity 0.1965100E+01 Ellipticity 0.1485577E-01 Gb(Abramov) 0.4642147E-01 Vb(Abramov) -0.4614988E-01 Hb(Abramov) 0.2715946E-03 Ex_ueg -0.1120776E-01 Ec_ueg -0.2044572E-02 Delta_ex -0.1513072E-01 Delta_ec 0.6118307E-02 Delta_et -0.6218038E-01 Pxc 0.5481716E+01 Qxc -0.2473024E+01 3,-1 101 3 -1 -1.823215 -0.563164 2.793969 Rho 0.1419899E+00 |GRAD(Rho)| 0.5070631E-15 GRAD(Rho)x -0.3988915E-15 GRAD(Rho)y 0.3121689E-15 GRAD(Rho)z 0.2343232E-16 Laplacian 0.5921390E+00 (-1/4)Del**2(Rho)) -0.1480347E+00 Diamond 0.1119626E+01 Metallicity 0.4497301E+01 Ellipticity 0.1322529E-01 Gb(Abramov) 0.2096493E+00 Vb(Abramov) -0.2712638E+00 Hb(Abramov) -0.6161455E-01 Ex_ueg -0.5470936E-01 Ec_ueg -0.7932740E-02 Delta_ex -0.6270049E-01 Delta_ec 0.1515591E-01 Delta_et -0.2000151E+00 Pxc 0.6896654E+01 Qxc -0.4137031E+01 3,-1 102 3 +3 -0.003421 0.002222 -2.395457 Rho 0.4334809E-02 |GRAD(Rho)| 0.1761204E-16 GRAD(Rho)x -0.5971912E-17 GRAD(Rho)y -0.8286840E-17 GRAD(Rho)z -0.1434742E-16 Laplacian 0.1702654E-01 (-1/4)Del**2(Rho)) -0.4256636E-02 Diamond 0.1410272E-03 Metallicity 0.4664123E+00 Ellipticity -0.2361728E+00 Gb(Abramov) 0.3168648E-02 Vb(Abramov) -0.2080661E-02 Hb(Abramov) 0.1087987E-02 Ex_ueg -0.5220095E-03 Ec_ueg -0.1184002E-03 Delta_ex -0.6140500E-03 Delta_ec 0.1616765E-03 Delta_et -0.9945425E-03 Pxc 0.4408856E+01 Qxc -0.3798017E+01 3,+3 103 3 +1 -0.999818 1.481511 2.164244 Rho 0.2364035E-01 |GRAD(Rho)| 0.6320860E-15 GRAD(Rho)x 0.3879867E-15 GRAD(Rho)y 0.4520595E-15 GRAD(Rho)z 0.2112849E-15 Laplacian 0.8858901E-01 (-1/4)Del**2(Rho)) -0.2214725E-01 Diamond 0.9166778E-02 Metallicity 0.1514688E+01 Ellipticity -0.2257648E+01 Gb(Abramov) 0.2035587E-01 Vb(Abramov) -0.1856448E-01 Hb(Abramov) 0.1791388E-02 Ex_ueg -0.5010991E-02 Ec_ueg -0.1020505E-02 Delta_ex -0.5245520E-02 Delta_ec 0.1177089E-02 Delta_et -0.1033676E-01 Pxc 0.4910308E+01 Qxc -0.4456352E+01 3,+1 104 3 -1 0.831347 -2.021450 3.017206 Rho 0.1650304E+00 |GRAD(Rho)| 0.9916856E-13 GRAD(Rho)x -0.2360964E-13 GRAD(Rho)y 0.6781244E-13 GRAD(Rho)z 0.6839928E-13 Laplacian 0.6456138E+00 (-1/4)Del**2(Rho)) -0.1614034E+00 Diamond 0.1458168E+01 Metallicity 0.5299649E+01 Ellipticity 0.4222216E-01 Gb(Abramov) 0.2501659E+00 Vb(Abramov) -0.3389283E+00 Hb(Abramov) -0.8876245E-01 Ex_ueg -0.6685549E-01 Ec_ueg -0.9412521E-02 Delta_ex -0.7090975E-01 Delta_ec 0.1584771E-01 Delta_et -0.2132337E+00 Pxc 0.7102826E+01 Qxc -0.4474448E+01 3,-1 105 3 -1 -0.886285 -3.038267 -1.997866 Rho 0.1085097E+00 |GRAD(Rho)| 0.1490464E-15 GRAD(Rho)x -0.2310706E-16 GRAD(Rho)y -0.1170193E-15 GRAD(Rho)z -0.8937214E-16 Laplacian 0.4450678E+00 (-1/4)Del**2(Rho)) -0.1112669E+00 Diamond 0.6304980E+00 Metallicity 0.3822094E+01 Ellipticity 0.6180242E-02 Gb(Abramov) 0.1450567E+00 Vb(Abramov) -0.1788466E+00 Hb(Abramov) -0.3378981E-01 Ex_ueg -0.3822462E-01 Ec_ueg -0.5843362E-02 Delta_ex -0.4451238E-01 Delta_ec 0.1272561E-01 Delta_et -0.1613497E+00 Pxc 0.6541546E+01 Qxc -0.3497857E+01 3,-1 106 3 +1 1.453070 -0.983840 2.193433 Rho 0.2465273E-01 |GRAD(Rho)| 0.2937695E-15 GRAD(Rho)x 0.8526477E-16 GRAD(Rho)y 0.2646334E-15 GRAD(Rho)z 0.9486620E-16 Laplacian 0.9421319E-01 (-1/4)Del**2(Rho)) -0.2355330E-01 Diamond 0.1005869E-01 Metallicity 0.1527367E+01 Ellipticity -0.2133573E+01 Gb(Abramov) 0.2169795E-01 Vb(Abramov) -0.1984261E-01 Hb(Abramov) 0.1855346E-02 Ex_ueg -0.5299137E-02 Ec_ueg -0.1071246E-02 Delta_ex -0.5613272E-02 Delta_ec 0.1198014E-02 Delta_et -0.1063579E-01 Pxc 0.4946706E+01 Qxc -0.4685482E+01 3,+1 107 3 -1 -0.562290 -2.759561 1.796939 Rho 0.1380806E+00 |GRAD(Rho)| 0.1288137E-15 GRAD(Rho)x 0.1075529E-15 GRAD(Rho)y -0.3426756E-16 GRAD(Rho)z 0.6205702E-16 Laplacian 0.5819382E+00 (-1/4)Del**2(Rho)) -0.1454845E+00 Diamond 0.1061803E+01 Metallicity 0.4368080E+01 Ellipticity 0.1070479E-01 Gb(Abramov) 0.2029044E+00 Vb(Abramov) -0.2603242E+00 Hb(Abramov) -0.5741985E-01 Ex_ueg -0.5271026E-01 Ec_ueg -0.7684921E-02 Delta_ex -0.6117739E-01 Delta_ec 0.1495214E-01 Delta_et -0.1964124E+00 Pxc 0.6858920E+01 Qxc -0.4091548E+01 3,-1 108 3 -1 1.729954 -1.717091 0.530037 Rho 0.4206015E-01 |GRAD(Rho)| 0.1138324E-15 GRAD(Rho)x -0.1988833E-16 GRAD(Rho)y 0.1081913E-15 GRAD(Rho)z -0.2927293E-16 Laplacian 0.1674155E+00 (-1/4)Del**2(Rho)) -0.4185387E-01 Diamond 0.6598493E-01 Metallicity 0.2093802E+01 Ellipticity 0.3539795E-01 Gb(Abramov) 0.4250820E-01 Vb(Abramov) -0.4316253E-01 Hb(Abramov) -0.6543264E-03 Ex_ueg -0.1080304E-01 Ec_ueg -0.1980933E-02 Delta_ex -0.1313703E-01 Delta_ec 0.4887646E-02 Delta_et -0.4921875E-01 Pxc 0.5453512E+01 Qxc -0.2687803E+01 3,-1 109 3 +1 -0.546522 -1.640343 0.508321 Rho 0.8883182E-02 |GRAD(Rho)| 0.5256259E-17 GRAD(Rho)x 0.1120797E-18 GRAD(Rho)y 0.5193510E-17 GRAD(Rho)z -0.8019681E-18 Laplacian 0.3471969E-01 (-1/4)Del**2(Rho)) -0.8679921E-02 Diamond 0.9839421E-03 Metallicity 0.7562261E+00 Ellipticity -0.1472633E+01 Gb(Abramov) 0.6880611E-02 Vb(Abramov) -0.5081301E-02 Hb(Abramov) 0.1799310E-02 Ex_ueg -0.1358761E-02 Ec_ueg -0.3176682E-03 Delta_ex -0.1604755E-02 Delta_ec 0.4984585E-03 Delta_et -0.3427453E-02 Pxc 0.4277297E+01 Qxc -0.3219435E+01 3,+1 110 3 +3 0.084037 2.404304 -0.033645 Rho 0.4051528E-02 |GRAD(Rho)| 0.1237015E-17 GRAD(Rho)x -0.1209022E-18 GRAD(Rho)y -0.1182304E-17 GRAD(Rho)z 0.3431421E-18 Laplacian 0.1621674E-01 (-1/4)Del**2(Rho)) -0.4054185E-02 Diamond 0.1197990E-03 Metallicity 0.4375365E+00 Ellipticity -0.3264631E+00 Gb(Abramov) 0.2998432E-02 Vb(Abramov) -0.1942680E-02 Hb(Abramov) 0.1055753E-02 Ex_ueg -0.4770275E-03 Ec_ueg -0.1063273E-03 Delta_ex -0.5715563E-03 Delta_ec 0.1479219E-03 Delta_et -0.9033281E-03 Pxc 0.4486406E+01 Qxc -0.3863905E+01 3,+3 111 3 +1 -0.945152 2.199629 1.514736 Rho 0.2481890E-01 |GRAD(Rho)| 0.1512674E-15 GRAD(Rho)x 0.1119950E-15 GRAD(Rho)y 0.8138799E-17 GRAD(Rho)z 0.1013544E-15 Laplacian 0.9761232E-01 (-1/4)Del**2(Rho)) -0.2440308E-01 Diamond 0.9416088E-02 Metallicity 0.1490777E+01 Ellipticity -0.1756962E+01 Gb(Abramov) 0.2233198E-01 Vb(Abramov) -0.2026088E-01 Hb(Abramov) 0.2071103E-02 Ex_ueg -0.5346813E-02 Ec_ueg -0.1079600E-02 Delta_ex -0.5705696E-02 Delta_ec 0.1025287E-02 Delta_et -0.9183913E-02 Pxc 0.4952586E+01 Qxc -0.5564973E+01 3,+1 112 3 +1 1.446429 2.191974 -1.066663 Rho 0.2514703E-01 |GRAD(Rho)| 0.3148804E-16 GRAD(Rho)x -0.3766054E-18 GRAD(Rho)y -0.2231032E-16 GRAD(Rho)z 0.2221721E-16 Laplacian 0.9425818E-01 (-1/4)Del**2(Rho)) -0.2356455E-01 Diamond 0.1174851E-01 Metallicity 0.1577994E+01 Ellipticity -0.3311639E+01 Gb(Abramov) 0.2190715E-01 Vb(Abramov) -0.2024975E-01 Hb(Abramov) 0.1657398E-02 Ex_ueg -0.5441275E-02 Ec_ueg -0.1096120E-02 Delta_ex -0.5798334E-02 Delta_ec 0.1468788E-02 Delta_et -0.1301364E-01 Pxc 0.4964124E+01 Qxc -0.3947699E+01 3,+1 113 3 +1 0.173101 3.036803 -0.143557 Rho 0.4721829E-02 |GRAD(Rho)| 0.5625826E-14 GRAD(Rho)x 0.4079688E-14 GRAD(Rho)y 0.3604338E-15 GRAD(Rho)z -0.3856961E-14 Laplacian 0.1832074E-01 (-1/4)Del**2(Rho)) -0.4580185E-02 Diamond 0.3671383E-03 Metallicity 0.4998663E+00 Ellipticity -0.2406198E+01 Gb(Abramov) 0.3435037E-02 Vb(Abramov) -0.2289889E-02 Hb(Abramov) 0.1145148E-02 Ex_ueg -0.5850577E-03 Ec_ueg -0.1349617E-03 Delta_ex -0.8723999E-03 Delta_ec 0.5259709E-03 Delta_et -0.2828466E-02 Pxc 0.4334992E+01 Qxc -0.1658647E+01 3,+1 114 3 -1 0.625582 2.882443 1.874009 Rho 0.1364358E+00 |GRAD(Rho)| 0.3067460E-15 GRAD(Rho)x -0.5448116E-16 GRAD(Rho)y 0.1219727E-18 GRAD(Rho)z 0.3018690E-15 Laplacian 0.5752815E+00 (-1/4)Del**2(Rho)) -0.1438204E+00 Diamond 0.1059670E+01 Metallicity 0.4331252E+01 Ellipticity 0.1539772E-01 Gb(Abramov) 0.1997006E+00 Vb(Abramov) -0.2555809E+00 Hb(Abramov) -0.5588025E-01 Ex_ueg -0.5187478E-01 Ec_ueg -0.7580949E-02 Delta_ex -0.6058429E-01 Delta_ec 0.1532906E-01 Delta_et -0.2020172E+00 Pxc 0.6842781E+01 Qxc -0.3952249E+01 3,-1 115 3 +1 -0.585251 -0.489996 1.657498 Rho 0.7968638E-02 |GRAD(Rho)| 0.6703058E-17 GRAD(Rho)x -0.4556147E-17 GRAD(Rho)y -0.4805373E-17 GRAD(Rho)z -0.1039660E-17 Laplacian 0.3082292E-01 (-1/4)Del**2(Rho)) -0.7705729E-02 Diamond 0.7452269E-03 Metallicity 0.7107435E+00 Ellipticity -0.1425808E+01 Gb(Abramov) 0.6049952E-02 Vb(Abramov) -0.4394175E-02 Hb(Abramov) 0.1655777E-02 Ex_ueg -0.1175521E-02 Ec_ueg -0.2768204E-03 Delta_ex -0.1382152E-02 Delta_ec 0.4352765E-03 Delta_et -0.2915907E-02 Pxc 0.4246513E+01 Qxc -0.3175343E+01 3,+1 116 3 +3 -0.016975 -2.274156 -0.018019 Rho 0.4816792E-02 |GRAD(Rho)| 0.1225956E-16 GRAD(Rho)x 0.7080317E-17 GRAD(Rho)y 0.8725828E-17 GRAD(Rho)z 0.4901620E-17 Laplacian 0.1964797E-01 (-1/4)Del**2(Rho)) -0.4911991E-02 Diamond 0.1728508E-03 Metallicity 0.4818279E+00 Ellipticity -0.3542477E+00 Gb(Abramov) 0.3669117E-02 Vb(Abramov) -0.2426242E-02 Hb(Abramov) 0.1242875E-02 Ex_ueg -0.6007985E-03 Ec_ueg -0.1390371E-03 Delta_ex -0.7132918E-03 Delta_ec 0.1605713E-03 Delta_et -0.1048263E-02 Pxc 0.4321137E+01 Qxc -0.4442212E+01 3,+3 117 3 -1 -0.883673 -2.039029 -3.077800 Rho 0.1253625E+00 |GRAD(Rho)| 0.2576972E-13 GRAD(Rho)x 0.9843444E-14 GRAD(Rho)y 0.7520934E-14 GRAD(Rho)z 0.2259691E-13 Laplacian 0.5101650E+00 (-1/4)Del**2(Rho)) -0.1275412E+00 Diamond 0.8500336E+00 Metallicity 0.4241460E+01 Ellipticity 0.9664042E-02 Gb(Abramov) 0.1751877E+00 Vb(Abramov) -0.2228341E+00 Hb(Abramov) -0.4764643E-01 Ex_ueg -0.4633850E-01 Ec_ueg -0.6885559E-02 Delta_ex -0.5266163E-01 Delta_ec 0.1389561E-01 Delta_et -0.1806062E+00 Pxc 0.6729809E+01 Qxc -0.3789803E+01 3,-1 118 3 -1 -0.573853 -1.812844 2.784873 Rho 0.1320124E+00 |GRAD(Rho)| 0.1343670E-12 GRAD(Rho)x 0.1288869E-12 GRAD(Rho)y 0.5175236E-14 GRAD(Rho)z 0.3762824E-13 Laplacian 0.5492608E+00 (-1/4)Del**2(Rho)) -0.1373152E+00 Diamond 0.9551695E+00 Metallicity 0.4293971E+01 Ellipticity 0.1022960E-01 Gb(Abramov) 0.1898147E+00 Vb(Abramov) -0.2423142E+00 Hb(Abramov) -0.5249950E-01 Ex_ueg -0.4964452E-01 Ec_ueg -0.7302194E-02 Delta_ex -0.5718253E-01 Delta_ec 0.1438640E-01 Delta_et -0.1879009E+00 Pxc 0.6798576E+01 Qxc -0.3974764E+01 3,-1 119 3 +1 0.090510 -0.067515 3.015552 Rho 0.4791208E-02 |GRAD(Rho)| 0.1429529E-13 GRAD(Rho)x -0.1331338E-13 GRAD(Rho)y 0.2241298E-14 GRAD(Rho)z -0.4699569E-14 Laplacian 0.1870173E-01 (-1/4)Del**2(Rho)) -0.4675433E-02 Diamond 0.4265030E-03 Metallicity 0.5017334E+00 Ellipticity -0.5441328E+01 Gb(Abramov) 0.3507925E-02 Vb(Abramov) -0.2340418E-02 Hb(Abramov) 0.1167508E-02 Ex_ueg -0.5965475E-03 Ec_ueg -0.1379387E-03 Delta_ex -0.9366630E-03 Delta_ec 0.6146620E-03 Delta_et -0.3285163E-02 Pxc 0.4324729E+01 Qxc -0.1523867E+01 3,+1 120 3 +1 0.089878 0.086804 -2.957917 Rho 0.4882584E-02 |GRAD(Rho)| 0.2297359E-14 GRAD(Rho)x 0.1552630E-14 GRAD(Rho)y 0.1693090E-14 GRAD(Rho)z 0.2532693E-16 Laplacian 0.1874323E-01 (-1/4)Del**2(Rho)) -0.4685808E-02 Diamond 0.4340884E-03 Metallicity 0.5166362E+00 Ellipticity -0.9607831E+01 Gb(Abramov) 0.3527348E-02 Vb(Abramov) -0.2368889E-02 Hb(Abramov) 0.1158460E-02 Ex_ueg -0.6117651E-03 Ec_ueg -0.1418634E-03 Delta_ex -0.9379299E-03 Delta_ec 0.6085818E-03 Delta_et -0.3274155E-02 Pxc 0.4312353E+01 Qxc -0.1541173E+01 3,+1 121 3 -1 -0.549954 2.827797 -1.843812 Rho 0.9340813E-01 |GRAD(Rho)| 0.3326468E-14 GRAD(Rho)x -0.1317102E-15 GRAD(Rho)y -0.1845719E-14 GRAD(Rho)z 0.2764302E-14 Laplacian 0.4028479E+00 (-1/4)Del**2(Rho)) -0.1007120E+00 Diamond 0.4839775E+00 Metallicity 0.3289374E+01 Ellipticity 0.2679574E-02 Gb(Abramov) 0.1223545E+00 Vb(Abramov) -0.1439971E+00 Hb(Abramov) -0.2164256E-01 Ex_ueg -0.3130146E-01 Ec_ueg -0.4927501E-02 Delta_ex -0.3906515E-01 Delta_ec 0.1215561E-01 Delta_et -0.1497434E+00 Pxc 0.6352401E+01 Qxc -0.3213754E+01 3,-1 122 3 -1 -0.862814 3.031963 2.029575 Rho 0.9442486E-01 |GRAD(Rho)| 0.1070997E-15 GRAD(Rho)x -0.1039750E-15 GRAD(Rho)y -0.1581580E-16 GRAD(Rho)z -0.2023392E-16 Laplacian 0.3960039E+00 (-1/4)Del**2(Rho)) -0.9900098E-01 Diamond 0.4759538E+00 Metallicity 0.3407148E+01 Ellipticity 0.7973571E-02 Gb(Abramov) 0.1222191E+00 Vb(Abramov) -0.1454373E+00 Hb(Abramov) -0.2321817E-01 Ex_ueg -0.3175657E-01 Ec_ueg -0.4988586E-02 Delta_ex -0.3838403E-01 Delta_ec 0.1172200E-01 Delta_et -0.1445309E+00 Pxc 0.6365845E+01 Qxc -0.3274530E+01 3,-1 123 3 +1 1.714448 0.574862 0.540937 Rho 0.7537514E-02 |GRAD(Rho)| 0.5885226E-13 GRAD(Rho)x 0.8959827E-14 GRAD(Rho)y -0.5571962E-13 GRAD(Rho)z -0.1669235E-13 Laplacian 0.2783159E-01 (-1/4)Del**2(Rho)) -0.6957898E-02 Diamond 0.6176737E-03 Metallicity 0.7174451E+00 Ellipticity -0.1445294E+01 Gb(Abramov) 0.5470584E-02 Vb(Abramov) -0.3983269E-02 Hb(Abramov) 0.1487314E-02 Ex_ueg -0.1091497E-02 Ec_ueg -0.2576953E-03 Delta_ex -0.1227425E-02 Delta_ec 0.3871082E-03 Delta_et -0.2561100E-02 Pxc 0.4235611E+01 Qxc -0.3170754E+01 3,+1 124 3 +1 0.580362 1.741895 0.528947 Rho 0.7255599E-02 |GRAD(Rho)| 0.1368731E-13 GRAD(Rho)x -0.8470184E-14 GRAD(Rho)y -0.9559057E-14 GRAD(Rho)z -0.4921667E-14 Laplacian 0.2657297E-01 (-1/4)Del**2(Rho)) -0.6643242E-02 Diamond 0.5568492E-03 Metallicity 0.7051722E+00 Ellipticity -0.1432549E+01 Gb(Abramov) 0.5209600E-02 Vb(Abramov) -0.3775957E-02 Hb(Abramov) 0.1433642E-02 Ex_ueg -0.1037408E-02 Ec_ueg -0.2452355E-03 Delta_ex -0.1159048E-02 Delta_ec 0.3664809E-03 Delta_et -0.2403507E-02 Pxc 0.4230250E+01 Qxc -0.3162643E+01 3,+1 125 3 -1 -0.549828 1.848497 -2.862770 Rho 0.1231156E+00 |GRAD(Rho)| 0.4317595E-15 GRAD(Rho)x 0.2628784E-15 GRAD(Rho)y 0.3422420E-15 GRAD(Rho)z -0.1347799E-16 Laplacian 0.5296967E+00 (-1/4)Del**2(Rho)) -0.1324242E+00 Diamond 0.8664224E+00 Metallicity 0.3963764E+01 Ellipticity 0.1811531E-01 Gb(Abramov) 0.1757658E+00 Vb(Abramov) -0.2191075E+00 Hb(Abramov) -0.4334164E-01 Ex_ueg -0.4523445E-01 Ec_ueg -0.6745457E-02 Delta_ex -0.5447945E-01 Delta_ec 0.1455391E-01 Delta_et -0.1886751E+00 Pxc 0.6705912E+01 Qxc -0.3743286E+01 3,-1 126 3 -1 -0.545721 -1.736979 -1.766503 Rho 0.4275538E-01 |GRAD(Rho)| 0.4525292E-14 GRAD(Rho)x -0.3293977E-14 GRAD(Rho)y -0.9211229E-15 GRAD(Rho)z 0.2963025E-14 Laplacian 0.1839054E+00 (-1/4)Del**2(Rho)) -0.4597634E-01 Diamond 0.8087517E-01 Metallicity 0.1958860E+01 Ellipticity 0.1668952E-01 Gb(Abramov) 0.4566109E-01 Vb(Abramov) -0.4534585E-01 Hb(Abramov) 0.3152445E-03 Ex_ueg -0.1104179E-01 Ec_ueg -0.2018516E-02 Delta_ex -0.1484902E-01 Delta_ec 0.6009047E-02 Delta_et -0.6088135E-01 Pxc 0.5470251E+01 Qxc -0.2471111E+01 3,-1 127 3 +3 1.141325 -1.111072 -1.128690 Rho 0.5125244E-02 |GRAD(Rho)| 0.1942360E-15 GRAD(Rho)x 0.8674139E-16 GRAD(Rho)y -0.7676386E-16 GRAD(Rho)z -0.1559194E-15 Laplacian 0.1948298E-01 (-1/4)Del**2(Rho)) -0.4870744E-02 Diamond 0.1388226E-03 Metallicity 0.5388677E+00 Ellipticity -0.1709608E+00 Gb(Abramov) 0.3684611E-02 Vb(Abramov) -0.2498477E-02 Hb(Abramov) 0.1186134E-02 Ex_ueg -0.6526362E-03 Ec_ueg -0.1523065E-03 Delta_ex -0.6760372E-03 Delta_ec 0.8273675E-04 Delta_et -0.6666680E-03 Pxc 0.4285017E+01 Qxc -0.8170942E+01 3,+3 128 3 -1 -0.482824 -0.468622 -0.510557 Rho 0.1844415E+00 |GRAD(Rho)| 0.1380158E-12 GRAD(Rho)x 0.7990830E-13 GRAD(Rho)y 0.8067158E-13 GRAD(Rho)z 0.7845460E-13 Laplacian 0.4994604E+00 (-1/4)Del**2(Rho)) -0.1248651E+00 Diamond 0.1318721E+01 Metallicity 0.8245367E+01 Ellipticity 0.5526299E-02 Gb(Abramov) 0.2548365E+00 Vb(Abramov) -0.3848079E+00 Hb(Abramov) -0.1299714E+00 Ex_ueg -0.7754076E-01 Ec_ueg -0.1068364E-01 Delta_ex -0.5663356E-01 Delta_ec 0.1230636E-01 Delta_et -0.1688342E+00 Pxc 0.7257895E+01 Qxc -0.4601976E+01 3,-1 129 3 -1 -0.496671 1.779131 1.737430 Rho 0.3552118E-01 |GRAD(Rho)| 0.2288683E-16 GRAD(Rho)x -0.2283569E-16 GRAD(Rho)y 0.7024021E-18 GRAD(Rho)z -0.1358217E-17 Laplacian 0.1491239E+00 (-1/4)Del**2(Rho)) -0.3728098E-01 Diamond 0.5111471E-01 Metallicity 0.1773692E+01 Ellipticity 0.1450440E-01 Gb(Abramov) 0.3587481E-01 Vb(Abramov) -0.3446865E-01 Hb(Abramov) 0.1406164E-02 Ex_ueg -0.8623858E-02 Ec_ueg -0.1631757E-02 Delta_ex -0.1152079E-01 Delta_ec 0.4893374E-02 Delta_et -0.4710599E-01 Pxc 0.5285013E+01 Qxc -0.2354366E+01 3,-1 130 3 -1 0.525413 -1.717506 1.731252 Rho 0.4644954E-01 |GRAD(Rho)| 0.2583371E-15 GRAD(Rho)x 0.1597030E-15 GRAD(Rho)y 0.1983980E-15 GRAD(Rho)z 0.4325797E-16 Laplacian 0.1884187E+00 (-1/4)Del**2(Rho)) -0.4710468E-01 Diamond 0.8597475E-01 Metallicity 0.2195120E+01 Ellipticity 0.2300599E-01 Gb(Abramov) 0.4863652E-01 Vb(Abramov) -0.5016836E-01 Hb(Abramov) -0.1531842E-02 Ex_ueg -0.1233182E-01 Ec_ueg -0.2219578E-02 Delta_ex -0.1520412E-01 Delta_ec 0.5579924E-02 Delta_et -0.5770369E-01 Pxc 0.5555927E+01 Qxc -0.2724790E+01 3,-1 131 3 -1 -0.013849 3.259483 -3.301122 Rho 0.2119451E+00 |GRAD(Rho)| 0.6377365E-15 GRAD(Rho)x -0.5648693E-16 GRAD(Rho)y 0.2530528E-15 GRAD(Rho)z -0.5826502E-15 Laplacian 0.7966427E+00 (-1/4)Del**2(Rho)) -0.1991607E+00 Diamond 0.2423935E+01 Metallicity 0.6517113E+01 Ellipticity 0.8998386E-02 Gb(Abramov) 0.3490992E+00 Vb(Abramov) -0.4990377E+00 Hb(Abramov) -0.1499385E+00 Ex_ueg -0.9332892E-01 Ec_ueg -0.1252136E-01 Delta_ex -0.9318363E-01 Delta_ec 0.1821594E-01 Delta_et -0.2506626E+00 Pxc 0.7453578E+01 Qxc -0.5115499E+01 3,-1 132 3 -1 0.064704 3.284832 3.295018 Rho 0.2124112E+00 |GRAD(Rho)| 0.4483857E-14 GRAD(Rho)x -0.4135960E-15 GRAD(Rho)y -0.2866088E-14 GRAD(Rho)z -0.3423368E-14 Laplacian 0.7891953E+00 (-1/4)Del**2(Rho)) -0.1972988E+00 Diamond 0.2413751E+01 Metallicity 0.6602743E+01 Ellipticity 0.1497897E-02 Gb(Abramov) 0.3486515E+00 Vb(Abramov) -0.5000041E+00 Hb(Abramov) -0.1513526E+00 Ex_ueg -0.9360268E-01 Ec_ueg -0.1255287E-01 Delta_ex -0.9240312E-01 Delta_ec 0.1810302E-01 Delta_et -0.2494029E+00 Pxc 0.7456678E+01 Qxc -0.5104293E+01 3,-1 133 3 +1 3.013484 0.126606 -0.111823 Rho 0.4833696E-02 |GRAD(Rho)| 0.6290898E-17 GRAD(Rho)x -0.4152340E-18 GRAD(Rho)y -0.5884883E-17 GRAD(Rho)z -0.2184291E-17 Laplacian 0.1896947E-01 (-1/4)Del**2(Rho)) -0.4742369E-02 Diamond 0.4152392E-03 Metallicity 0.5019843E+00 Ellipticity -0.3169684E+01 Gb(Abramov) 0.3558345E-02 Vb(Abramov) -0.2374321E-02 Hb(Abramov) 0.1184024E-02 Ex_ueg -0.6036116E-03 Ec_ueg -0.1397631E-03 Delta_ex -0.9297704E-03 Delta_ec 0.5843831E-03 Delta_et -0.3146858E-02 Pxc 0.4318819E+01 Qxc -0.1591029E+01 3,+1 134 3 -1 0.460618 -0.457080 0.451727 Rho 0.1846090E+00 |GRAD(Rho)| 0.8274249E-15 GRAD(Rho)x -0.1214306E-15 GRAD(Rho)y 0.7771561E-15 GRAD(Rho)z -0.2567391E-15 Laplacian 0.4936087E+00 (-1/4)Del**2(Rho)) -0.1234022E+00 Diamond 0.1307638E+01 Metallicity 0.8355746E+01 Ellipticity 0.3207170E-02 Gb(Abramov) 0.2541210E+00 Vb(Abramov) -0.3848398E+00 Hb(Abramov) -0.1307188E+00 Ex_ueg -0.7763465E-01 Ec_ueg -0.1069470E-01 Delta_ex -0.5600505E-01 Delta_ec 0.1219901E-01 Delta_et -0.1674976E+00 Pxc 0.7259168E+01 Qxc -0.4590952E+01 3,-1 135 3 +1 1.809945 1.817448 1.834639 Rho 0.1091533E-01 |GRAD(Rho)| 0.2115636E-12 GRAD(Rho)x -0.1378945E-12 GRAD(Rho)y 0.1524243E-12 GRAD(Rho)z 0.5011089E-13 Laplacian 0.4801397E-01 (-1/4)Del**2(Rho)) -0.1200349E-01 Diamond 0.1544116E-02 Metallicity 0.7708572E+00 Ellipticity -0.1255936E+01 Gb(Abramov) 0.9544491E-02 Vb(Abramov) -0.7085490E-02 Hb(Abramov) 0.2459001E-02 Ex_ueg -0.1788275E-02 Ec_ueg -0.4097314E-03 Delta_ex -0.2254338E-02 Delta_ec 0.5380068E-03 Delta_et -0.4009957E-02 Pxc 0.4364507E+01 Qxc -0.4190166E+01 3,+1 136 3 +1 1.685473 -0.553010 -0.557487 Rho 0.8225318E-02 |GRAD(Rho)| 0.7231701E-15 GRAD(Rho)x -0.4874441E-15 GRAD(Rho)y 0.5052668E-15 GRAD(Rho)z 0.1734317E-15 Laplacian 0.3147368E-01 (-1/4)Del**2(Rho)) -0.7868420E-02 Diamond 0.8035251E-03 Metallicity 0.7338154E+00 Ellipticity -0.1463832E+01 Gb(Abramov) 0.6207941E-02 Vb(Abramov) -0.4547463E-02 Hb(Abramov) 0.1660479E-02 Ex_ueg -0.1226277E-02 Ec_ueg -0.2882471E-03 Delta_ex -0.1426937E-02 Delta_ec 0.4521456E-03 Delta_et -0.3047527E-02 Pxc 0.4254257E+01 Qxc -0.3155922E+01 3,+1 137 3 -1 0.480102 0.474777 -0.512487 Rho 0.1867036E+00 |GRAD(Rho)| 0.2758406E-11 GRAD(Rho)x -0.1610087E-11 GRAD(Rho)y -0.1584618E-11 GRAD(Rho)z 0.1582848E-11 Laplacian 0.5064492E+00 (-1/4)Del**2(Rho)) -0.1266123E+00 Diamond 0.1355927E+01 Metallicity 0.8298480E+01 Ellipticity 0.2836757E-02 Gb(Abramov) 0.2595231E+00 Vb(Abramov) -0.3924340E+00 Hb(Abramov) -0.1329108E+00 Ex_ueg -0.7881135E-01 Ec_ueg -0.1083318E-01 Delta_ex -0.5759516E-01 Delta_ec 0.1242576E-01 Delta_et -0.1706539E+00 Pxc 0.7274994E+01 Qxc -0.4635143E+01 3,-1 138 3 +3 1.113425 1.148213 1.149288 Rho 0.4434043E-02 |GRAD(Rho)| 0.5064206E-17 GRAD(Rho)x 0.4161750E-17 GRAD(Rho)y 0.1832156E-17 GRAD(Rho)z -0.2229176E-17 Laplacian 0.1561277E-01 (-1/4)Del**2(Rho)) -0.3903191E-02 Diamond 0.9065604E-04 Metallicity 0.5282017E+00 Ellipticity -0.1656822E+00 Gb(Abramov) 0.2945740E-02 Vb(Abramov) -0.1988288E-02 Hb(Abramov) 0.9574517E-03 Ex_ueg -0.5380032E-03 Ec_ueg -0.1226392E-03 Delta_ex -0.5197737E-03 Delta_ec 0.6517899E-04 Delta_et -0.5158117E-03 Pxc 0.4386877E+01 Qxc -0.7974560E+01 3,+3 139 3 -1 1.743394 -0.488197 1.753180 Rho 0.3799596E-01 |GRAD(Rho)| 0.3711428E-16 GRAD(Rho)x -0.5863586E-17 GRAD(Rho)y -0.2565239E-16 GRAD(Rho)z -0.2617332E-16 Laplacian 0.1619802E+00 (-1/4)Del**2(Rho)) -0.4049505E-01 Diamond 0.6100227E-01 Metallicity 0.1826895E+01 Ellipticity 0.9895047E-02 Gb(Abramov) 0.3932673E-01 Vb(Abramov) -0.3815842E-01 Hb(Abramov) 0.1168318E-02 Ex_ueg -0.9434124E-02 Ec_ueg -0.1762961E-02 Delta_ex -0.1272886E-01 Delta_ec 0.5331476E-02 Delta_et -0.5229445E-01 Pxc 0.5351294E+01 Qxc -0.2387493E+01 3,-1 140 3 +1 1.311612 -2.168876 1.125573 Rho 0.2649578E-01 |GRAD(Rho)| 0.3138360E-16 GRAD(Rho)x -0.1036774E-16 GRAD(Rho)y -0.2430639E-16 GRAD(Rho)z 0.1693044E-16 Laplacian 0.1041814E+00 (-1/4)Del**2(Rho)) -0.2604534E-01 Diamond 0.1499834E-01 Metallicity 0.1557582E+01 Ellipticity -0.4315544E+01 Gb(Abramov) 0.2412485E-01 Vb(Abramov) -0.2220437E-01 Hb(Abramov) 0.1920488E-02 Ex_ueg -0.5833833E-02 Ec_ueg -0.1164315E-02 Delta_ex -0.6604931E-02 Delta_ec 0.1810499E-02 Delta_et -0.1620122E-01 Pxc 0.5010527E+01 Qxc -0.3648128E+01 3,+1 141 3 +1 2.001690 -2.018606 2.032384 Rho 0.1196122E-01 |GRAD(Rho)| 0.8195963E-17 GRAD(Rho)x -0.5585631E-17 GRAD(Rho)y -0.6479513E-18 GRAD(Rho)z 0.5962776E-17 Laplacian 0.5454601E-01 (-1/4)Del**2(Rho)) -0.1363650E-01 Diamond 0.1683393E-02 Metallicity 0.7903317E+00 Ellipticity -0.1111952E+01 Gb(Abramov) 0.1088723E-01 Vb(Abramov) -0.8137955E-02 Hb(Abramov) 0.2749274E-02 Ex_ueg -0.2020315E-02 Ec_ueg -0.4577792E-03 Delta_ex -0.2535925E-02 Delta_ec 0.4527568E-03 Delta_et -0.3588725E-02 Pxc 0.4413296E+01 Qxc -0.5601075E+01 3,+1 142 3 -1 0.563061 -2.803278 -1.804734 Rho 0.1136901E+00 |GRAD(Rho)| 0.2810985E-15 GRAD(Rho)x 0.1349696E-15 GRAD(Rho)y -0.1071903E-15 GRAD(Rho)z 0.2220582E-15 Laplacian 0.4925948E+00 (-1/4)Del**2(Rho)) -0.1231487E+00 Diamond 0.7403511E+00 Metallicity 0.3732456E+01 Ellipticity 0.1934735E-01 Gb(Abramov) 0.1587070E+00 Vb(Abramov) -0.1942653E+00 Hb(Abramov) -0.3555828E-01 Ex_ueg -0.4067699E-01 Ec_ueg -0.6161566E-02 Delta_ex -0.4983746E-01 Delta_ec 0.1399547E-01 Delta_et -0.1791322E+00 Pxc 0.6601729E+01 Qxc -0.3560971E+01 3,-1 143 3 -1 0.844333 -3.012033 1.988341 Rho 0.1474555E+00 |GRAD(Rho)| 0.7343318E-14 GRAD(Rho)x -0.4222683E-14 GRAD(Rho)y 0.3005707E-14 GRAD(Rho)z 0.5201826E-14 Laplacian 0.5775067E+00 (-1/4)Del**2(Rho)) -0.1443767E+00 Diamond 0.1146034E+01 Metallicity 0.4910861E+01 Ellipticity 0.5010283E-01 Gb(Abramov) 0.2144201E+00 Vb(Abramov) -0.2844635E+00 Hb(Abramov) -0.7004340E-01 Ex_ueg -0.5753511E-01 Ec_ueg -0.8280827E-02 Delta_ex -0.6175391E-01 Delta_ec 0.1470621E-01 Delta_et -0.1952788E+00 Pxc 0.6947990E+01 Qxc -0.4199172E+01 3,-1 144 3 +1 1.119178 1.382391 -2.238997 Rho 0.2503350E-01 |GRAD(Rho)| 0.1160930E-13 GRAD(Rho)x -0.5222465E-14 GRAD(Rho)y 0.8832297E-14 GRAD(Rho)z -0.5430682E-14 Laplacian 0.9563064E-01 (-1/4)Del**2(Rho)) -0.2390766E-01 Diamond 0.1168412E-01 Metallicity 0.1543661E+01 Ellipticity -0.2909259E+01 Gb(Abramov) 0.2208933E-01 Vb(Abramov) -0.2027100E-01 Hb(Abramov) 0.1818333E-02 Ex_ueg -0.5408545E-02 Ec_ueg -0.1090401E-02 Delta_ex -0.5858078E-02 Delta_ec 0.1458954E-02 Delta_et -0.1292052E-01 Pxc 0.4960144E+01 Qxc -0.4015257E+01 3,+1 145 3 -1 0.567389 1.744390 -1.784484 Rho 0.4187907E-01 |GRAD(Rho)| 0.6971955E-13 GRAD(Rho)x -0.1963750E-13 GRAD(Rho)y 0.4829204E-13 GRAD(Rho)z -0.4629323E-13 Laplacian 0.1800688E+00 (-1/4)Del**2(Rho)) -0.4501721E-01 Diamond 0.7704395E-01 Metallicity 0.1932723E+01 Ellipticity 0.2899005E-01 Gb(Abramov) 0.4451244E-01 Vb(Abramov) -0.4400767E-01 Hb(Abramov) 0.5047718E-03 Ex_ueg -0.1074107E-01 Ec_ueg -0.1971158E-02 Delta_ex -0.1446885E-01 Delta_ec 0.5889476E-02 Delta_et -0.5933368E-01 Pxc 0.5449118E+01 Qxc -0.2456729E+01 3,-1 146 3 -1 0.621726 1.858808 2.907009 Rho 0.1380260E+00 |GRAD(Rho)| 0.8772213E-14 GRAD(Rho)x 0.5526450E-15 GRAD(Rho)y -0.7026281E-14 GRAD(Rho)z -0.5222805E-14 Laplacian 0.5798058E+00 (-1/4)Del**2(Rho)) -0.1449515E+00 Diamond 0.1086259E+01 Metallicity 0.4381259E+01 Ellipticity 0.1703994E-01 Gb(Abramov) 0.2024793E+00 Vb(Abramov) -0.2600071E+00 Hb(Abramov) -0.5752781E-01 Ex_ueg -0.5268250E-01 Ec_ueg -0.7681470E-02 Delta_ex -0.6126844E-01 Delta_ec 0.1547205E-01 Delta_et -0.2044087E+00 Pxc 0.6858387E+01 Qxc -0.3959943E+01 3,-1 147 3 -1 0.930590 1.992329 -3.093153 Rho 0.1164407E+00 |GRAD(Rho)| 0.6059881E-15 GRAD(Rho)x 0.4657597E-15 GRAD(Rho)y -0.3008797E-15 GRAD(Rho)z -0.2444605E-15 Laplacian 0.4746559E+00 (-1/4)Del**2(Rho)) -0.1186640E+00 Diamond 0.7321411E+00 Metallicity 0.4030966E+01 Ellipticity 0.1543727E-01 Gb(Abramov) 0.1588311E+00 Vb(Abramov) -0.1989981E+00 Hb(Abramov) -0.4016708E-01 Ex_ueg -0.4199442E-01 Ec_ueg -0.6331311E-02 Delta_ex -0.4826366E-01 Delta_ec 0.1336166E-01 Delta_et -0.1717154E+00 Pxc 0.6632816E+01 Qxc -0.3612101E+01 3,-1 148 3 +3 1.921769 -1.927245 1.948193 Rho 0.1192138E-01 |GRAD(Rho)| 0.1529517E-16 GRAD(Rho)x -0.9712548E-17 GRAD(Rho)y 0.2010606E-17 GRAD(Rho)z -0.1164328E-16 Laplacian 0.5385113E-01 (-1/4)Del**2(Rho)) -0.1346278E-01 Diamond 0.1317157E-02 Metallicity 0.7960910E+00 Ellipticity -0.8376290E+00 Gb(Abramov) 0.1076146E-01 Vb(Abramov) -0.8060128E-02 Hb(Abramov) 0.2701328E-02 Ex_ueg -0.2011348E-02 Ec_ueg -0.4559410E-03 Delta_ex -0.2403009E-02 Delta_ec 0.2715114E-03 Delta_et -0.2362261E-02 Pxc 0.4411422E+01 Qxc -0.8850491E+01 3,+3 149 3 +1 1.778671 -1.774568 -1.753636 Rho 0.1197094E-01 |GRAD(Rho)| 0.9324361E-17 GRAD(Rho)x -0.5697398E-17 GRAD(Rho)y 0.1155747E-17 GRAD(Rho)z -0.7290240E-17 Laplacian 0.5839929E-01 (-1/4)Del**2(Rho)) -0.1459982E-01 Diamond 0.2267947E-02 Metallicity 0.7391844E+00 Ellipticity -0.1252817E+01 Gb(Abramov) 0.1153187E-01 Vb(Abramov) -0.8463928E-02 Hb(Abramov) 0.3067947E-02 Ex_ueg -0.2022504E-02 Ec_ueg -0.4582277E-03 Delta_ex -0.2850090E-02 Delta_ec 0.7247110E-03 Delta_et -0.5456535E-02 Pxc 0.4413754E+01 Qxc -0.3932726E+01 3,+1 150 3 -1 0.592674 -1.823828 -2.814329 Rho 0.1195605E+00 |GRAD(Rho)| 0.2064186E-12 GRAD(Rho)x -0.1427382E-12 GRAD(Rho)y -0.1470294E-12 GRAD(Rho)z 0.2483500E-13 Laplacian 0.5132240E+00 (-1/4)Del**2(Rho)) -0.1283060E+00 Diamond 0.8167175E+00 Metallicity 0.3896001E+01 Ellipticity 0.1778985E-01 Gb(Abramov) 0.1688507E+00 Vb(Abramov) -0.2093954E+00 Hb(Abramov) -0.4054472E-01 Ex_ueg -0.4350128E-01 Ec_ueg -0.6524491E-02 Delta_ex -0.5250469E-01 Delta_ec 0.1434867E-01 Delta_et -0.1852832E+00 Pxc 0.6667382E+01 Qxc -0.3659203E+01 3,-1 151 3 -1 0.908389 3.047420 -2.059018 Rho 0.1321517E+00 |GRAD(Rho)| 0.2780802E-15 GRAD(Rho)x -0.5941428E-16 GRAD(Rho)y 0.2112026E-15 GRAD(Rho)z -0.1708567E-15 Laplacian 0.5381392E+00 (-1/4)Del**2(Rho)) -0.1345348E+00 Diamond 0.9521702E+00 Metallicity 0.4390422E+01 Ellipticity 0.1550140E-01 Gb(Abramov) 0.1881340E+00 Vb(Abramov) -0.2417331E+00 Hb(Abramov) -0.5359916E-01 Ex_ueg -0.4971437E-01 Ec_ueg -0.7310951E-02 Delta_ex -0.5621770E-01 Delta_ec 0.1441066E-01 Delta_et -0.1888590E+00 Pxc 0.6799986E+01 Qxc -0.3901119E+01 3,-1 152 3 +3 2.370994 0.026399 0.004871 Rho 0.4101425E-02 |GRAD(Rho)| 0.2428726E-16 GRAD(Rho)x -0.1616285E-16 GRAD(Rho)y 0.1600854E-16 GRAD(Rho)z -0.8506457E-17 Laplacian 0.1632473E-01 (-1/4)Del**2(Rho)) -0.4081182E-02 Diamond 0.1217629E-03 Metallicity 0.4436003E+00 Ellipticity -0.2966846E+00 Gb(Abramov) 0.3022524E-02 Vb(Abramov) -0.1963865E-02 Hb(Abramov) 0.1058658E-02 Ex_ueg -0.4848769E-03 Ec_ueg -0.1084508E-03 Delta_ex -0.5761192E-03 Delta_ec 0.1470690E-03 Delta_et -0.9033908E-03 Pxc 0.4470938E+01 Qxc -0.3917340E+01 3,+3 153 3 -1 1.991925 -0.857181 3.034906 Rho 0.9772038E-01 |GRAD(Rho)| 0.4437766E-13 GRAD(Rho)x 0.2819643E-13 GRAD(Rho)y 0.3357428E-13 GRAD(Rho)z -0.6863383E-14 Laplacian 0.4061223E+00 (-1/4)Del**2(Rho)) -0.1015306E+00 Diamond 0.5081541E+00 Metallicity 0.3517749E+01 Ellipticity 0.8921245E-02 Gb(Abramov) 0.1272136E+00 Vb(Abramov) -0.1528966E+00 Hb(Abramov) -0.2568299E-01 Ex_ueg -0.3324287E-01 Ec_ueg -0.5187169E-02 Delta_ex -0.3966437E-01 Delta_ec 0.1191480E-01 Delta_et -0.1479507E+00 Pxc 0.6408674E+01 Qxc -0.3329001E+01 3,-1 154 3 +1 2.166855 -1.008066 1.461080 Rho 0.2488509E-01 |GRAD(Rho)| 0.4432005E-16 GRAD(Rho)x -0.1954878E-16 GRAD(Rho)y 0.3433580E-16 GRAD(Rho)z 0.2007896E-16 Laplacian 0.9515061E-01 (-1/4)Del**2(Rho)) -0.2378765E-01 Diamond 0.1085880E-01 Metallicity 0.1536150E+01 Ellipticity -0.2408931E+01 Gb(Abramov) 0.2194867E-01 Vb(Abramov) -0.2010968E-01 Hb(Abramov) 0.1838984E-02 Ex_ueg -0.5365835E-02 Ec_ueg -0.1082930E-02 Delta_ex -0.5745881E-02 Delta_ec 0.1320585E-02 Delta_et -0.1171307E-01 Pxc 0.4954922E+01 Qxc -0.4351011E+01 3,+1 155 3 -1 1.861138 -0.561525 -2.809998 Rho 0.1455683E+00 |GRAD(Rho)| 0.1398480E-12 GRAD(Rho)x 0.1049781E-12 GRAD(Rho)y 0.9016662E-13 GRAD(Rho)z 0.2017495E-13 Laplacian 0.6054500E+00 (-1/4)Del**2(Rho)) -0.1513625E+00 Diamond 0.1173429E+01 Metallicity 0.4584721E+01 Ellipticity 0.8733437E-02 Gb(Abramov) 0.2165675E+00 Vb(Abramov) -0.2817724E+00 Hb(Abramov) -0.6520498E-01 Ex_ueg -0.5655541E-01 Ec_ueg -0.8160428E-02 Delta_ex -0.6443823E-01 Delta_ec 0.1528897E-01 Delta_et -0.2022504E+00 Pxc 0.6930447E+01 Qxc -0.4214689E+01 3,-1 156 3 -1 1.760719 0.539261 -1.765449 Rho 0.4473560E-01 |GRAD(Rho)| 0.3126278E-12 GRAD(Rho)x -0.2090975E-12 GRAD(Rho)y 0.1060801E-12 GRAD(Rho)z 0.2067883E-12 Laplacian 0.1808835E+00 (-1/4)Del**2(Rho)) -0.4522088E-01 Diamond 0.7806437E-01 Metallicity 0.2147680E+01 Ellipticity 0.2853313E-01 Gb(Abramov) 0.4633392E-01 Vb(Abramov) -0.4744696E-01 Hb(Abramov) -0.1113038E-02 Ex_ueg -0.1172887E-01 Ec_ueg -0.2126013E-02 Delta_ex -0.1444135E-01 Delta_ec 0.5326188E-02 Delta_et -0.5452875E-01 Pxc 0.5516838E+01 Qxc -0.2711386E+01 3,-1 157 3 -1 1.856228 0.614082 2.895606 Rho 0.1263287E+00 |GRAD(Rho)| 0.5552344E-14 GRAD(Rho)x -0.4768972E-14 GRAD(Rho)y 0.8399179E-15 GRAD(Rho)z -0.2716611E-14 Laplacian 0.5360816E+00 (-1/4)Del**2(Rho)) -0.1340204E+00 Diamond 0.9078249E+00 Metallicity 0.4088391E+01 Ellipticity 0.2018825E-01 Gb(Abramov) 0.1806682E+00 Vb(Abramov) -0.2273161E+00 Hb(Abramov) -0.4664783E-01 Ex_ueg -0.4681530E-01 Ec_ueg -0.6945911E-02 Delta_ex -0.5551757E-01 Delta_ec 0.1471684E-01 Delta_et -0.1917794E+00 Pxc 0.6739980E+01 Qxc -0.3772383E+01 3,-1 158 3 -1 2.059702 0.843510 -3.072428 Rho 0.1513261E+00 |GRAD(Rho)| 0.1740722E-13 GRAD(Rho)x 0.1364345E-13 GRAD(Rho)y -0.9998783E-14 GRAD(Rho)z -0.4109953E-14 Laplacian 0.5864210E+00 (-1/4)Del**2(Rho)) -0.1466053E+00 Diamond 0.1199257E+01 Metallicity 0.5049637E+01 Ellipticity 0.3123473E-01 Gb(Abramov) 0.2211207E+00 Vb(Abramov) -0.2956362E+00 Hb(Abramov) -0.7451546E-01 Ex_ueg -0.5955756E-01 Ec_ueg -0.8528459E-02 Delta_ex -0.6309529E-01 Delta_ec 0.1481546E-01 Delta_et -0.1973913E+00 Pxc 0.6983391E+01 Qxc -0.4258747E+01 3,-1 159 3 +1 2.203054 1.471434 -1.006983 Rho 0.2483329E-01 |GRAD(Rho)| 0.1248308E-16 GRAD(Rho)x 0.1212479E-16 GRAD(Rho)y 0.2485473E-17 GRAD(Rho)z 0.1624616E-17 Laplacian 0.9541083E-01 (-1/4)Del**2(Rho)) -0.2385271E-01 Diamond 0.1035392E-01 Metallicity 0.1526649E+01 Ellipticity -0.2156003E+01 Gb(Abramov) 0.2197092E-01 Vb(Abramov) -0.2008914E-01 Hb(Abramov) 0.1881782E-02 Ex_ueg -0.5350949E-02 Ec_ueg -0.1080324E-02 Delta_ex -0.5703153E-02 Delta_ec 0.1225739E-02 Delta_et -0.1089519E-01 Pxc 0.4953095E+01 Qxc -0.4652829E+01 3,+1 160 3 -1 1.983604 -3.007225 0.846242 Rho 0.1246147E+00 |GRAD(Rho)| 0.1691536E-15 GRAD(Rho)x 0.7810999E-16 GRAD(Rho)y 0.1487593E-15 GRAD(Rho)z 0.1955630E-16 Laplacian 0.4854999E+00 (-1/4)Del**2(Rho)) -0.1213750E+00 Diamond 0.7894218E+00 Metallicity 0.4412716E+01 Ellipticity 0.2569934E-01 Gb(Abramov) 0.1701822E+00 Vb(Abramov) -0.2189894E+00 Hb(Abramov) -0.4880722E-01 Ex_ueg -0.4597030E-01 Ec_ueg -0.6838890E-02 Delta_ex -0.4986920E-01 Delta_ec 0.1292987E-01 Delta_et -0.1673489E+00 Pxc 0.6721894E+01 Qxc -0.3856899E+01 3,-1 161 3 -1 1.815821 -2.790239 -0.544964 Rho 0.1549061E+00 |GRAD(Rho)| 0.9106467E-12 GRAD(Rho)x 0.7100774E-12 GRAD(Rho)y 0.1349682E-12 GRAD(Rho)z 0.5539415E-12 Laplacian 0.6447264E+00 (-1/4)Del**2(Rho)) -0.1611816E+00 Diamond 0.1346582E+01 Metallicity 0.4775500E+01 Ellipticity 0.7301420E-02 Gb(Abramov) 0.2357415E+00 Vb(Abramov) -0.3103014E+00 Hb(Abramov) -0.7455991E-01 Ex_ueg -0.6144359E-01 Ec_ueg -0.8758314E-02 Delta_ex -0.6967939E-01 Delta_ec 0.1603225E-01 Delta_et -0.2138879E+00 Pxc 0.7015459E+01 Qxc -0.4346202E+01 3,-1 162 3 -1 1.760981 1.765935 -0.533744 Rho 0.3740634E-01 |GRAD(Rho)| 0.1279772E-08 GRAD(Rho)x 0.8407727E-09 GRAD(Rho)y 0.8551861E-09 GRAD(Rho)z 0.4467386E-09 Laplacian 0.1595859E+00 (-1/4)Del**2(Rho)) -0.3989647E-01 Diamond 0.5852214E-01 Metallicity 0.1806595E+01 Ellipticity 0.2242534E-01 Gb(Abramov) 0.3861044E-01 Vb(Abramov) -0.3732441E-01 Hb(Abramov) 0.1286030E-02 Ex_ueg -0.9239434E-02 Ec_ueg -0.1731593E-02 Delta_ex -0.1247347E-01 Delta_ec 0.5217363E-02 Delta_et -0.5095132E-01 Pxc 0.5335799E+01 Qxc -0.2390761E+01 3,-1 163 3 -1 2.810633 -1.822190 -0.574056 Rho 0.1501695E+00 |GRAD(Rho)| 0.4802680E-15 GRAD(Rho)x 0.1457778E-15 GRAD(Rho)y 0.4868068E-16 GRAD(Rho)z -0.4550125E-15 Laplacian 0.6226039E+00 (-1/4)Del**2(Rho)) -0.1556510E+00 Diamond 0.1257222E+01 Metallicity 0.4695742E+01 Ellipticity 0.1700731E-01 Gb(Abramov) 0.2255835E+00 Vb(Abramov) -0.2955160E+00 Hb(Abramov) -0.6993249E-01 Ex_ueg -0.5895140E-01 Ec_ueg -0.8454366E-02 Delta_ex -0.6681871E-01 Delta_ec 0.1568240E-01 Delta_et -0.2085421E+00 Pxc 0.6972893E+01 Qxc -0.4260746E+01 3,-1 164 3 -1 2.867350 0.607227 1.854308 Rho 0.1403989E+00 |GRAD(Rho)| 0.5252313E-14 GRAD(Rho)x 0.1086554E-14 GRAD(Rho)y -0.5132884E-14 GRAD(Rho)z -0.2443250E-15 Laplacian 0.5895233E+00 (-1/4)Del**2(Rho)) -0.1473808E+00 Diamond 0.1125389E+01 Metallicity 0.4433212E+01 Ellipticity 0.1481332E-01 Gb(Abramov) 0.2071489E+00 Vb(Abramov) -0.2669170E+00 Hb(Abramov) -0.5976812E-01 Ex_ueg -0.5389354E-01 Ec_ueg -0.7831768E-02 Delta_ex -0.6253163E-01 Delta_ec 0.1562976E-01 Delta_et -0.2069740E+00 Pxc 0.6881402E+01 Qxc -0.4000806E+01 3,-1 165 3 -1 3.049479 0.831380 -2.032258 Rho 0.1600980E+00 |GRAD(Rho)| 0.2908079E-15 GRAD(Rho)x 0.1284102E-15 GRAD(Rho)y -0.2476860E-15 GRAD(Rho)z 0.8204700E-16 Laplacian 0.6294096E+00 (-1/4)Del**2(Rho)) -0.1573524E+00 Diamond 0.1368764E+01 Metallicity 0.5168007E+01 Ellipticity 0.4203531E-01 Gb(Abramov) 0.2404347E+00 Vb(Abramov) -0.3235169E+00 Hb(Abramov) -0.8308226E-01 Ex_ueg -0.6420464E-01 Ec_ueg -0.9093036E-02 Delta_ex -0.6859230E-01 Delta_ec 0.1553873E-01 Delta_et -0.2082211E+00 Pxc 0.7060858E+01 Qxc -0.4414280E+01 3,-1 166 3 -1 3.207937 -3.228836 -0.076629 Rho 0.2351737E+00 |GRAD(Rho)| 0.1218284E-14 GRAD(Rho)x -0.8347815E-15 GRAD(Rho)y 0.8491471E-15 GRAD(Rho)z 0.2574980E-15 Laplacian 0.8576907E+00 (-1/4)Del**2(Rho)) -0.2144227E+00 Diamond 0.2961472E+01 Metallicity 0.7198859E+01 Ellipticity 0.5875742E-02 Gb(Abramov) 0.4002149E+00 Vb(Abramov) -0.5860071E+00 Hb(Abramov) -0.1857922E+00 Ex_ueg -0.1072103E+00 Ec_ueg -0.1410612E-01 Delta_ex -0.1030860E+00 Delta_ec 0.1907401E-01 Delta_et -0.2640669E+00 Pxc 0.7600271E+01 Qxc -0.5404528E+01 3,-1 167 3 -1 3.004606 -2.033426 0.852099 Rho 0.1556304E+00 |GRAD(Rho)| 0.7578577E-15 GRAD(Rho)x -0.2200659E-15 GRAD(Rho)y -0.4585769E-15 GRAD(Rho)z -0.5618065E-15 Laplacian 0.6155378E+00 (-1/4)Del**2(Rho)) -0.1538845E+00 Diamond 0.1294567E+01 Metallicity 0.5040988E+01 Ellipticity 0.3613256E-01 Gb(Abramov) 0.2318779E+00 Vb(Abramov) -0.3098714E+00 Hb(Abramov) -0.7799346E-01 Ex_ueg -0.6182690E-01 Ec_ueg -0.8804907E-02 Delta_ex -0.6661805E-01 Delta_ec 0.1531766E-01 Delta_et -0.2045504E+00 Pxc 0.7021869E+01 Qxc -0.4349101E+01 3,-1 168 3 -1 3.050724 2.000148 -0.865276 Rho 0.1011666E+00 |GRAD(Rho)| 0.2160085E-13 GRAD(Rho)x -0.6571160E-14 GRAD(Rho)y 0.1217426E-13 GRAD(Rho)z 0.1658928E-13 Laplacian 0.4162279E+00 (-1/4)Del**2(Rho)) -0.1040570E+00 Diamond 0.5441115E+00 Metallicity 0.3636446E+01 Ellipticity 0.6132587E-02 Gb(Abramov) 0.1324376E+00 Vb(Abramov) -0.1608182E+00 Hb(Abramov) -0.2838061E-01 Ex_ueg -0.3481512E-01 Ec_ueg -0.5395774E-02 Delta_ex -0.4099476E-01 Delta_ec 0.1215250E-01 Delta_et -0.1520231E+00 Pxc 0.6452294E+01 Qxc -0.3373359E+01 3,-1 169 3 -1 2.867673 1.861968 0.598027 Rho 0.1206189E+00 |GRAD(Rho)| 0.1108654E-11 GRAD(Rho)x -0.3528925E-12 GRAD(Rho)y 0.8052214E-12 GRAD(Rho)z -0.6754251E-12 Laplacian 0.5150168E+00 (-1/4)Del**2(Rho)) -0.1287542E+00 Diamond 0.8248873E+00 Metallicity 0.3939891E+01 Ellipticity 0.2587158E-01 Gb(Abramov) 0.1703824E+00 Vb(Abramov) -0.2120106E+00 Hb(Abramov) -0.4162819E-01 Ex_ueg -0.4401550E-01 Ec_ueg -0.6590186E-02 Delta_ex -0.5275239E-01 Delta_ec 0.1428850E-01 Delta_et -0.1846733E+00 Pxc 0.6678947E+01 Qxc -0.3691949E+01 3,-1 170 3 -1 3.300090 3.278174 0.049607 Rho 0.2103603E+00 |GRAD(Rho)| 0.2989706E-15 GRAD(Rho)x -0.1678345E-15 GRAD(Rho)y -0.2474149E-15 GRAD(Rho)z -0.9351244E-18 Laplacian 0.7836315E+00 (-1/4)Del**2(Rho)) -0.1959079E+00 Diamond 0.2369438E+01 Metallicity 0.6542958E+01 Ellipticity 0.3706432E-02 Gb(Abramov) 0.3442414E+00 Vb(Abramov) -0.4925749E+00 Hb(Abramov) -0.1483335E+00 Ex_ueg -0.9239958E-01 Ec_ueg -0.1241432E-01 Delta_ex -0.9152616E-01 Delta_ec 0.1803000E-01 Delta_et -0.2482563E+00 Pxc 0.7442985E+01 Qxc -0.5076327E+01 3,-1 171 3 -1 3.021072 -0.871028 2.018617 Rho 0.1073627E+00 |GRAD(Rho)| 0.7322667E-14 GRAD(Rho)x -0.2915921E-14 GRAD(Rho)y -0.3072873E-14 GRAD(Rho)z -0.5972965E-14 Laplacian 0.4437286E+00 (-1/4)Del**2(Rho)) -0.1109321E+00 Diamond 0.6223643E+00 Metallicity 0.3766331E+01 Ellipticity 0.4757487E-02 Gb(Abramov) 0.1435893E+00 Vb(Abramov) -0.1762464E+00 Hb(Abramov) -0.3265714E-01 Ex_ueg -0.3768685E-01 Ec_ueg -0.5773179E-02 Delta_ex -0.4429618E-01 Delta_ec 0.1276611E-01 Delta_et -0.1615909E+00 Pxc 0.6527920E+01 Qxc -0.3469826E+01 3,-1 172 3 -1 2.822967 -0.574046 -1.828792 Rho 0.1220131E+00 |GRAD(Rho)| 0.4691236E-15 GRAD(Rho)x 0.5813357E-16 GRAD(Rho)y 0.4307129E-15 GRAD(Rho)z -0.1765894E-15 Laplacian 0.5067623E+00 (-1/4)Del**2(Rho)) -0.1266906E+00 Diamond 0.8013953E+00 Metallicity 0.4081499E+01 Ellipticity 0.7806985E-02 Gb(Abramov) 0.1706416E+00 Vb(Abramov) -0.2145927E+00 Hb(Abramov) -0.4395105E-01 Ex_ueg -0.4469515E-01 Ec_ueg -0.6676838E-02 Delta_ex -0.5176546E-01 Delta_ec 0.1351721E-01 Delta_et -0.1742433E+00 Pxc 0.6694059E+01 Qxc -0.3829597E+01 3,-1 173 3 -1 2.045086 3.063967 -0.870008 Rho 0.1233608E+00 |GRAD(Rho)| 0.1772559E-15 GRAD(Rho)x 0.1074444E-15 GRAD(Rho)y 0.4072534E-16 GRAD(Rho)z 0.1349696E-15 Laplacian 0.5017431E+00 (-1/4)Del**2(Rho)) -0.1254358E+00 Diamond 0.8233903E+00 Metallicity 0.4198498E+01 Ellipticity 0.2579404E-02 Gb(Abramov) 0.1713975E+00 Vb(Abramov) -0.2173592E+00 Hb(Abramov) -0.4596171E-01 Ex_ueg -0.4535462E-01 Ec_ueg -0.6760731E-02 Delta_ex -0.5163820E-01 Delta_ec 0.1379625E-01 Delta_et -0.1789437E+00 Pxc 0.6708537E+01 Qxc -0.3742915E+01 3,-1 174 3 -1 -2.774210 -0.547083 1.809260 Rho 0.1380081E+00 |GRAD(Rho)| 0.4207730E-15 GRAD(Rho)x 0.1259030E-16 GRAD(Rho)y 0.1255371E-15 GRAD(Rho)z 0.4014123E-15 Laplacian 0.5801899E+00 (-1/4)Del**2(Rho)) -0.1450475E+00 Diamond 0.1057216E+01 Metallicity 0.4377410E+01 Ellipticity 0.9785525E-02 Gb(Abramov) 0.2025204E+00 Vb(Abramov) -0.2599932E+00 Hb(Abramov) -0.5747289E-01 Ex_ueg -0.5267337E-01 Ec_ueg -0.7680335E-02 Delta_ex -0.6097768E-01 Delta_ec 0.1489463E-01 Delta_et -0.1956117E+00 Pxc 0.6858212E+01 Qxc -0.4093937E+01 3,-1 175 3 -1 -0.476709 0.496742 0.418035 Rho 0.1765383E+00 |GRAD(Rho)| 0.2132793E-15 GRAD(Rho)x -0.1040834E-16 GRAD(Rho)y -0.1700029E-15 GRAD(Rho)z -0.1283695E-15 Laplacian 0.4596531E+00 (-1/4)Del**2(Rho)) -0.1149133E+00 Diamond 0.1160840E+01 Metallicity 0.8328776E+01 Ellipticity 0.1305318E-01 Gb(Abramov) 0.2361233E+00 Vb(Abramov) -0.3573334E+00 Hb(Abramov) -0.1212101E+00 Ex_ueg -0.7314258E-01 Ec_ueg -0.1016347E-01 Delta_ex -0.5162624E-01 Delta_ec 0.1159010E-01 Delta_et -0.1586133E+00 Pxc 0.7196612E+01 Qxc -0.4454341E+01 3,-1 176 3 -1 0.079847 -3.271423 -3.237576 Rho 0.2119673E+00 |GRAD(Rho)| 0.2486438E-14 GRAD(Rho)x 0.2422975E-14 GRAD(Rho)y 0.2061068E-15 GRAD(Rho)z 0.5187365E-15 Laplacian 0.7958513E+00 (-1/4)Del**2(Rho)) -0.1989628E+00 Diamond 0.2420849E+01 Metallicity 0.6524730E+01 Ellipticity 0.3120176E-02 Gb(Abramov) 0.3490050E+00 Vb(Abramov) -0.4990472E+00 Hb(Abramov) -0.1500422E+00 Ex_ueg -0.9334193E-01 Ec_ueg -0.1252286E-01 Delta_ex -0.9308740E-01 Delta_ec 0.1818630E-01 Delta_et -0.2502149E+00 Pxc 0.7453725E+01 Qxc -0.5118545E+01 3,-1 177 3 -1 1.861207 2.891175 0.606105 Rho 0.1242766E+00 |GRAD(Rho)| 0.1423882E-10 GRAD(Rho)x -0.1051537E-10 GRAD(Rho)y 0.2802852E-11 GRAD(Rho)z 0.9182314E-11 Laplacian 0.5240043E+00 (-1/4)Del**2(Rho)) -0.1310011E+00 Diamond 0.8705383E+00 Metallicity 0.4069996E+01 Ellipticity 0.2568826E-01 Gb(Abramov) 0.1761964E+00 Vb(Abramov) -0.2213916E+00 Hb(Abramov) -0.4519528E-01 Ex_ueg -0.4580409E-01 Ec_ueg -0.6817806E-02 Delta_ex -0.5406175E-01 Delta_ec 0.1445076E-01 Delta_et -0.1877901E+00 Pxc 0.6718303E+01 Qxc -0.3741100E+01 3,-1 178 3 -1 3.263573 -0.090602 -3.229898 Rho 0.2352821E+00 |GRAD(Rho)| 0.6889410E-15 GRAD(Rho)x -0.2098473E-15 GRAD(Rho)y 0.1341971E-15 GRAD(Rho)z 0.6423356E-15 Laplacian 0.8621007E+00 (-1/4)Del**2(Rho)) -0.2155252E+00 Diamond 0.2975668E+01 Metallicity 0.7167538E+01 Ellipticity 0.5505798E-02 Gb(Abramov) 0.4011476E+00 Vb(Abramov) -0.5867700E+00 Hb(Abramov) -0.1856224E+00 Ex_ueg -0.1072763E+00 Ec_ueg -0.1411359E-01 Delta_ex -0.1036138E+00 Delta_ec 0.1914331E-01 Delta_et -0.2649186E+00 Pxc 0.7600920E+01 Qxc -0.5412535E+01 3,-1 179 3 -1 -3.262587 0.073394 -3.275673 Rho 0.2109080E+00 |GRAD(Rho)| 0.2213921E-14 GRAD(Rho)x 0.1907871E-14 GRAD(Rho)y 0.1003890E-14 GRAD(Rho)z 0.5036661E-15 Laplacian 0.7946286E+00 (-1/4)Del**2(Rho)) -0.1986571E+00 Diamond 0.2401500E+01 Metallicity 0.6480434E+01 Ellipticity 0.3375376E-02 Gb(Abramov) 0.3470022E+00 Vb(Abramov) -0.4953472E+00 Hb(Abramov) -0.1483450E+00 Ex_ueg -0.9272051E-01 Ec_ueg -0.1245130E-01 Delta_ex -0.9281756E-01 Delta_ec 0.1817134E-01 Delta_et -0.2498802E+00 Pxc 0.7446655E+01 Qxc -0.5107910E+01 3,-1 180 3 -1 -3.232424 -0.072775 3.203899 Rho 0.2369539E+00 |GRAD(Rho)| 0.4743769E-15 GRAD(Rho)x 0.2417771E-15 GRAD(Rho)y 0.1952919E-15 GRAD(Rho)z -0.3583830E-15 Laplacian 0.8631043E+00 (-1/4)Del**2(Rho)) -0.2157761E+00 Diamond 0.3009593E+01 Metallicity 0.7244188E+01 Ellipticity 0.3831577E-02 Gb(Abramov) 0.4043711E+00 Vb(Abramov) -0.5929662E+00 Hb(Abramov) -0.1885950E+00 Ex_ueg -0.1082938E+00 Ec_ueg -0.1422880E-01 Delta_ex -0.1039530E+00 Delta_ec 0.1917372E-01 Delta_et -0.2656197E+00 Pxc 0.7610887E+01 Qxc -0.5421642E+01 3,-1 181 3 -1 -0.089058 -3.226467 3.184275 Rho 0.2357195E+00 |GRAD(Rho)| 0.3818639E-15 GRAD(Rho)x -0.1657203E-15 GRAD(Rho)y 0.1616545E-15 GRAD(Rho)z 0.3036850E-15 Laplacian 0.8666060E+00 (-1/4)Del**2(Rho)) -0.2166515E+00 Diamond 0.2995179E+01 Metallicity 0.7152382E+01 Ellipticity 0.4753860E-02 Gb(Abramov) 0.4026967E+00 Vb(Abramov) -0.5887419E+00 Hb(Abramov) -0.1860452E+00 Ex_ueg -0.1075422E+00 Ec_ueg -0.1414372E-01 Delta_ex -0.1041908E+00 Delta_ec 0.1920624E-01 Delta_et -0.2656937E+00 Pxc 0.7603535E+01 Qxc -0.5424844E+01 3,-1 182 3 -1 3.283992 0.049007 3.272883 Rho 0.2104807E+00 |GRAD(Rho)| 0.2353813E-15 GRAD(Rho)x -0.1412715E-15 GRAD(Rho)y -0.1196688E-16 GRAD(Rho)z -0.1878922E-15 Laplacian 0.7855754E+00 (-1/4)Del**2(Rho)) -0.1963938E+00 Diamond 0.2374294E+01 Metallicity 0.6532996E+01 Ellipticity 0.1581969E-02 Gb(Abramov) 0.3447692E+00 Vb(Abramov) -0.4931447E+00 Hb(Abramov) -0.1483754E+00 Ex_ueg -0.9247011E-01 Ec_ueg -0.1242245E-01 Delta_ex -0.9174985E-01 Delta_ec 0.1804175E-01 Delta_et -0.2483161E+00 Pxc 0.7443792E+01 Qxc -0.5085419E+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 78 130 118 107 104 143 181 126 150 142 117 105 176 145 125 121 147 151 131 129 146 114 83 122 132 108 163 161 167 160 166 162 169 177 168 173 170 91 77 92 70 85 59 94 74 87 73 88 65 100 80 82 60 97 179 58 174 101 68 81 180 139 164 157 171 153 182 156 172 155 165 158 178 134 128 137 175 76 57 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 26 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 28 54 2.395078 1.963865 1.946277 1.887865 1.930800 1.750125 2.422980 1.997918 2.017116 1.991157 2.046266 1.791331 2.430185 1.988988 2.093413 2.017351 1.971458 1.791246 2.502454 1.945037 1.949530 2.076503 2.098408 1.790759 2.440607 1.913321 1.903536 1.910705 1.998195 1.751228 2.476059 1.997201 1.985479 2.073825 1.998254 1.794406 2.274220 1.865103 1.855111 1.988542 1.883870 1.914724 2.394675 1.959843 1.960657 1.897053 1.908855 1.751756 2.416575 2.093560 1.945312 2.070742 1.967437 1.793093 2.449538 1.946710 1.935058 1.944798 1.890815 1.748310 2.469303 1.938746 1.978710 2.050413 2.087076 1.794131 2.411064 1.995028 1.927753 1.899593 1.921496 1.750937 1.702090 1.701538 1.696729 1.721918 3.231904 0.978678 2.397052 1.964281 1.946741 1.888314 1.931369 1.750132 2.424803 1.998205 2.017388 1.991482 2.046576 1.791336 2.432222 1.989170 2.093575 2.017727 1.971789 1.791255 2.504332 1.945232 1.949728 2.076820 2.098619 1.790763 2.442110 1.913762 1.903869 1.911242 1.998767 1.751236 2.478159 1.997371 1.985651 2.074113 1.998568 1.794406 2.275658 1.865626 1.855540 1.989174 1.884523 1.915744 2.396510 1.960266 1.961074 1.897507 1.909340 1.751767 2.418746 2.093709 1.945515 2.071067 1.967724 1.793103 2.450948 1.947166 1.935523 1.945203 1.891276 1.748317 2.471429 1.938944 1.978880 2.050691 2.087383 1.794135 2.412989 1.995444 1.928132 1.900111 1.921976 1.750946 1.702098 1.701540 1.696735 1.721957 3.236915 0.978882 28 24 25 26 26 22 27 25 25 23 25 23 29 27 26 25 26 24 29 26 27 29 27 25 27 25 26 25 25 23 29 24 24 25 24 22 27 27 23 25 24 27 27 27 25 26 24 23 27 28 30 27 25 23 31 24 24 28 29 21 29 26 26 24 26 24 28 24 27 25 25 22 21 22 20 22 35 22 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W Ta Ta Ta W Ta W W Ta W Ta 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 O As H 2.4493 2.2215 2.2145 2.2078 2.4385 2.2057 2.5806 2.4463 2.2218 2.4448 2.2156 2.4318 -1.1100 -1.1212 -1.1076 -1.1198 -0.9711 -0.9710 -0.9463 -1.0216 -0.9888 -1.0217 -1.0183 -0.9705 -0.9414 -0.9711 -1.0234 -0.9793 -1.0046 -0.9947 -0.9947 -0.9826 -0.9888 -1.0029 -0.9915 -1.0373 -0.9972 -0.9784 -0.9847 -1.0392 -0.8328 -0.9383 -0.9363 -0.9394 -0.8400 -0.9505 -0.7704 -0.8397 -0.9410 -0.8290 -0.9482 -0.8383 2.5180 0.2873 2.0975 2.1066 2.1082 2.1111 2.1011 2.1164 2.0889 2.1014 2.1068 2.0947 2.1087 2.1082 1.9386 1.9368 1.9397 1.9353 1.9291 1.9292 1.9379 1.9232 1.9271 1.9236 1.9231 1.9291 1.9369 1.9293 1.9229 1.9288 1.9366 1.9378 1.9370 1.9389 1.9384 1.9359 1.9376 1.9311 1.9369 1.9423 1.9379 1.9294 1.9590 1.9419 1.9423 1.9429 1.9590 1.9408 1.8791 1.9581 1.9420 1.9602 1.9412 1.9589 0.8325 0.6057 6.0929 6.0759 6.0805 6.0824 6.1003 6.0855 6.0838 6.0933 6.0745 6.0960 6.0797 6.1011 5.1338 5.1468 5.1305 5.1464 5.0135 5.0129 4.9800 5.0740 5.0356 5.0732 5.0712 5.0124 4.9756 5.0134 5.0762 5.0233 5.0401 5.0284 5.0297 5.0135 5.0219 5.0380 5.0254 5.0800 5.0316 5.0078 5.0163 5.0846 4.8403 4.9697 4.9672 4.9696 4.8478 4.9834 4.8588 4.8485 4.9724 4.8351 4.9807 4.8462 1.1085 0.1070 3.3308 2.5617 2.5628 2.5649 3.3307 2.5584 3.2155 3.3295 2.5629 3.3351 2.5619 3.3296 0.0376 0.0376 0.0374 0.0380 0.0285 0.0289 0.0284 0.0244 0.0262 0.0250 0.0240 0.0289 0.0289 0.0284 0.0244 0.0273 0.0280 0.0284 0.0280 0.0301 0.0285 0.0290 0.0285 0.0261 0.0286 0.0283 0.0305 0.0252 0.0335 0.0267 0.0268 0.0269 0.0332 0.0263 0.0325 0.0331 0.0266 0.0338 0.0264 0.0333 10.5410 0.0000 14.0295 14.0342 14.0340 14.0338 14.0295 14.0340 14.0311 14.0296 14.0340 14.0295 14.0341 14.0293 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 W Ta Ta Ta W Ta W W Ta W Ta 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 O As H 2.505168 2.363629 2.361524 2.352192 2.498392 2.358752 2.535150 2.502416 2.356683 2.500010 2.357201 2.500620 -1.092026 -1.096593 -1.095845 -1.088244 -0.987720 -0.987897 -0.963241 -1.053733 -1.013633 -1.048868 -1.049018 -0.984794 -0.967297 -0.987596 -1.054094 -1.004703 -1.003789 -0.997927 -0.999915 -0.976227 -0.991351 -1.001874 -0.994366 -1.043500 -0.999176 -0.971329 -0.978567 -1.051295 -0.877134 -1.021747 -1.019069 -1.021427 -0.884982 -1.037787 -0.576018 -0.886097 -1.023669 -0.872244 -1.033539 -0.884048 2.317669 0.112972 1.931843 1.842389 1.845591 1.838401 1.928918 1.840331 1.841496 1.929527 1.837376 1.925322 1.839032 1.936313 -0.725000 -0.730326 -0.728323 -0.706857 -0.732665 -0.743752 -0.708931 -0.812999 -0.769541 -0.813661 -0.804177 -0.738171 -0.727268 -0.730436 -0.817333 -0.762255 -0.845907 -0.847167 -0.845212 -0.788845 -0.841807 -0.847232 -0.841117 -0.890408 -0.847236 -0.794247 -0.815367 -0.889349 -0.791879 -0.958164 -0.955855 -0.958120 -0.799252 -0.982065 -0.761982 -0.801467 -0.958589 -0.785658 -0.973931 -0.799305 1.733324 0.401990 2.041540 1.960411 1.966854 1.953102 2.039617 1.964241 2.056809 2.038710 1.952571 2.033827 1.958274 2.049097 -0.801287 -0.795827 -0.804550 -0.787295 -0.818417 -0.825355 -0.810015 -0.903409 -0.857125 -0.900511 -0.897277 -0.822218 -0.824821 -0.816361 -0.908961 -0.841300 -0.879005 -0.875677 -0.872216 -0.839009 -0.864302 -0.875017 -0.870418 -0.930404 -0.875197 -0.830868 -0.846929 -0.931423 -0.758081 -0.933501 -0.929221 -0.932248 -0.764393 -0.954628 -0.755499 -0.768629 -0.934630 -0.751084 -0.948034 -0.763659 1.667911 0.415840 -13.67501108 -1.94628788 1.60116664 13.90531190 27.74401462 -50.80437669 -24.77107512 3.40247121 -24.55594156 -31.14648583 -388.6700 431.9830 -18.3956 -435.3845 -75.7271 -486.1941 Jun20-2024 20:53:52 Nodes: 1 Procs: 1 Jun20-2024 20:53:54 Nodes: 1 Procs: 1 0 Jun20-2024 20:53:57 Nodes: 1 Procs: 1 Jun20-2024 20:53:59 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 20:54:03 Nodes: 1 Procs: 1 Jun20-2024 20:54:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 20:54:10 Nodes: 1 Procs: 1 Jun20-2024 20:54:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 20:54:15 Nodes: 1 Procs: 1 Jun20-2024 20:54:18 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 20:54:24 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -17.42555506 -17.73446375 -17.76603773 -17.84717115 -17.85600714 -17.86113244 -17.86360147 -17.86612821 -17.86655662 -17.86692673 -17.86716225 -17.86728182 -17.86730388 -17.86730599 GEOMETRY CONVERGED