ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:57:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.04 2.16 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 Jun11-2024 04:57:50 Nodes: 1 Procs: 1 Jun11-2024 04:57:52 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:57:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.06 2.21 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 Jun11-2024 04:57:50 Nodes: 1 Procs: 1 Jun11-2024 04:57:52 Nodes: 1 Procs: 1 0 Jun11-2024 04:57:55 Nodes: 1 Procs: 1 Jun11-2024 04:57:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:58:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.59 0.05 2.12 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun11-2024 04:57:50 Nodes: 1 Procs: 1 Jun11-2024 04:57:52 Nodes: 1 Procs: 1 0 Jun11-2024 04:57:55 Nodes: 1 Procs: 1 Jun11-2024 04:57:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:58:00 Nodes: 1 Procs: 1 Jun11-2024 04:58:01 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:58:04 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.48 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 Jun11-2024 04:57:50 Nodes: 1 Procs: 1 Jun11-2024 04:57:52 Nodes: 1 Procs: 1 0 Jun11-2024 04:57:55 Nodes: 1 Procs: 1 Jun11-2024 04:57:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:58:00 Nodes: 1 Procs: 1 Jun11-2024 04:58:01 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 04:58:04 Nodes: 1 Procs: 1 Jun11-2024 04:58:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:58:08 Hydrogen (TZP) c5-39 c5-39 c5-39 c5-39 c5-39 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.07 3.26 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 Jun11-2024 04:57:50 Nodes: 1 Procs: 1 Jun11-2024 04:57:52 Nodes: 1 Procs: 1 0 Jun11-2024 04:57:55 Nodes: 1 Procs: 1 Jun11-2024 04:57:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:58:00 Nodes: 1 Procs: 1 Jun11-2024 04:58:01 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 04:58:04 Nodes: 1 Procs: 1 Jun11-2024 04:58:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun11-2024 04:58:08 Nodes: 1 Procs: 1 Jun11-2024 04:58:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 04:58:16 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2393.577600000001 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Mo ADF 2019.304 Jun11-2024 04:58:01 1 1 Molybdenum TZP 3d t21.W ADF 2019.304 Jun11-2024 04:58:10 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun11-2024 04:58:06 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun11-2024 04:57:57 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun11-2024 04:57:52 1 1 Hydrogen TZP 1 1 -15.89126245 0.23010362 0.00100000 F 0.10330128 0.00066667 F 0.23010362 0.10330128 0.12418206 0.01000000 F 0.04558038 0.00666667 F Cartesian 2393.577600000001 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246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.767 -7.734 -7.601 -7.560 -7.546 -7.530 -7.519 -7.493 -7.241 -7.221 -5.149 -4.824 -4.704 -4.590 -4.291 -4.242 -4.221 -3.989 -3.910 -3.903 A A A A A A A A A A A A A A A A A A A A 0.00000000080569 0.00042506850083 0.00025295401620 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 42 42 42 42 42 42 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 33 1 0.084200 -2.556004 2.551167 -0.055496 -2.608446 -2.520088 0.159980 2.552616 -2.595213 -0.108751 2.595705 2.559127 -2.508769 -0.174892 -2.650751 2.535810 -0.085685 2.594094 2.588943 -2.549694 0.163418 2.566159 2.530366 -0.106396 -2.501604 2.502886 0.062711 -2.561015 -2.518149 -0.117769 -2.551389 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3.823794 -0.216402 Rho 0.3186849E+03 3,-3 48 3 -3 -3.769884 -3.705695 0.187826 Rho 0.3194250E+03 3,-3 49 3 -3 -3.724131 0.222084 -3.787689 Rho 0.3195782E+03 3,-3 50 3 -3 -3.746106 -0.180149 3.758331 Rho 0.3194303E+03 3,-3 51 3 -3 3.733218 0.220296 3.776645 Rho 0.3195751E+03 3,-3 52 3 -3 3.737223 -0.242890 -3.756274 Rho 0.3194263E+03 3,-3 53 3 -3 0.000910 -0.006889 -0.023101 Rho 0.4276079E+05 3,-3 54 3 -3 -4.439070 3.801150 -0.940036 Rho 0.4430877E+00 3,-3 55 3 +1 -2.162094 -1.094146 -1.383852 Rho 0.2865291E-01 |GRAD(Rho)| 0.3701939E-16 GRAD(Rho)x 0.3046948E-16 GRAD(Rho)y 0.4765146E-17 GRAD(Rho)z 0.2047777E-16 Laplacian 0.1166735E+00 (-1/4)Del**2(Rho)) -0.2916838E-01 Diamond 0.1880935E-01 Metallicity 0.1584609E+01 Ellipticity -0.4372872E+01 Gb(Abramov) 0.2714900E-01 Vb(Abramov) -0.2512962E-01 Hb(Abramov) 0.2019380E-02 Ex_ueg -0.6475551E-02 Ec_ueg -0.1274334E-02 Delta_ex -0.7562749E-02 Delta_ec 0.2043949E-02 Delta_et -0.1863897E-01 Pxc 0.5081516E+01 Qxc -0.3700067E+01 3,+1 56 3 +1 -2.158219 1.086720 1.367281 Rho 0.3059407E-01 |GRAD(Rho)| 0.9026647E-17 GRAD(Rho)x -0.4491515E-17 GRAD(Rho)y 0.6955931E-17 GRAD(Rho)z 0.3594672E-17 Laplacian 0.1231168E+00 (-1/4)Del**2(Rho)) -0.3077920E-01 Diamond 0.2022431E-01 Metallicity 0.1675038E+01 Ellipticity -0.3446145E+01 Gb(Abramov) 0.2911219E-01 Vb(Abramov) -0.2744518E-01 Hb(Abramov) 0.1667012E-02 Ex_ueg -0.7066995E-02 Ec_ueg -0.1374291E-02 Delta_ex -0.7997799E-02 Delta_ec 0.1934732E-02 Delta_et -0.1793865E-01 Pxc 0.5142285E+01 Qxc -0.4133801E+01 3,+1 57 3 +1 -1.669727 0.479009 -0.595670 Rho 0.9093424E-02 |GRAD(Rho)| 0.1370578E-16 GRAD(Rho)x -0.4228064E-17 GRAD(Rho)y -0.1084839E-16 GRAD(Rho)z -0.7230783E-17 Laplacian 0.3665211E-01 (-1/4)Del**2(Rho)) -0.9163028E-02 Diamond 0.1096464E-02 Metallicity 0.7448347E+00 Ellipticity -0.1471109E+01 Gb(Abramov) 0.7246176E-02 Vb(Abramov) -0.5329323E-02 Hb(Abramov) 0.1916852E-02 Ex_ueg -0.1401807E-02 Ec_ueg -0.3271110E-03 Delta_ex -0.1714219E-02 Delta_ec 0.5441985E-03 Delta_et 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Delta_ex -0.7699211E-01 Delta_ec 0.1714093E-01 Delta_et -0.2339011E+00 Pxc 0.7191188E+01 Qxc -0.4491710E+01 3,-1 60 3 +1 0.503539 0.580485 1.660726 Rho 0.8057185E-02 |GRAD(Rho)| 0.2998644E-13 GRAD(Rho)x 0.2158812E-13 GRAD(Rho)y 0.2012597E-13 GRAD(Rho)z 0.5299540E-14 Laplacian 0.3096787E-01 (-1/4)Del**2(Rho)) -0.7741968E-02 Diamond 0.7820463E-03 Metallicity 0.7205665E+00 Ellipticity -0.1470612E+01 Gb(Abramov) 0.6091079E-02 Vb(Abramov) -0.4440190E-02 Hb(Abramov) 0.1650889E-02 Ex_ueg -0.1192970E-02 Ec_ueg -0.2807589E-03 Delta_ex -0.1403310E-02 Delta_ec 0.4565986E-03 Delta_et -0.3051591E-02 Pxc 0.4249091E+01 Qxc -0.3073401E+01 3,+1 61 3 -1 -2.996675 -1.951082 -0.867261 Rho 0.1395915E+00 |GRAD(Rho)| 0.1667314E-13 GRAD(Rho)x -0.6951721E-14 GRAD(Rho)y -0.1332817E-13 GRAD(Rho)z 0.7212980E-14 Laplacian 0.5487328E+00 (-1/4)Del**2(Rho)) -0.1371832E+00 Diamond 0.1025661E+01 Metallicity 0.4717193E+01 Ellipticity 0.3679216E-01 Gb(Abramov) 0.1993087E+00 Vb(Abramov) -0.2614343E+00 Hb(Abramov) -0.6212554E-01 Ex_ueg -0.5348067E-01 Ec_ueg -0.7780584E-02 Delta_ex -0.5796334E-01 Delta_ec 0.1428218E-01 Delta_et -0.1883801E+00 Pxc 0.6873607E+01 Qxc -0.4058437E+01 3,-1 62 3 -1 -2.969508 -0.856477 -2.041200 Rho 0.1350065E+00 |GRAD(Rho)| 0.1838726E-15 GRAD(Rho)x 0.9588413E-17 GRAD(Rho)y 0.3007306E-16 GRAD(Rho)z 0.1811431E-15 Laplacian 0.5234645E+00 (-1/4)Del**2(Rho)) -0.1308661E+00 Diamond 0.9293972E+00 Metallicity 0.4677174E+01 Ellipticity 0.4491613E-01 Gb(Abramov) 0.1892580E+00 Vb(Abramov) -0.2476499E+00 Hb(Abramov) -0.5839189E-01 Ex_ueg -0.5115143E-01 Ec_ueg -0.7490735E-02 Delta_ex -0.5472723E-01 Delta_ec 0.1351882E-01 Delta_et -0.1769646E+00 Pxc 0.6828627E+01 Qxc -0.4048225E+01 3,-1 63 3 +1 -2.906256 -0.200064 -0.220152 Rho 0.5432262E-02 |GRAD(Rho)| 0.3938391E-17 GRAD(Rho)x -0.2912086E-17 GRAD(Rho)y -0.2624512E-17 GRAD(Rho)z 0.3776468E-18 Laplacian 0.2296735E-01 (-1/4)Del**2(Rho)) -0.5741837E-02 Diamond 0.5121499E-03 Metallicity 0.5036593E+00 Ellipticity -0.1780220E+01 Gb(Abramov) 0.4309880E-02 Vb(Abramov) -0.2877922E-02 Hb(Abramov) 0.1431957E-02 Ex_ueg -0.7052764E-03 Ec_ueg -0.1655620E-03 Delta_ex -0.1088428E-02 Delta_ec 0.5946454E-03 Delta_et -0.3362243E-02 Pxc 0.4259894E+01 Qxc -0.1830381E+01 3,+1 64 3 +3 -1.100583 -1.097190 1.110081 Rho 0.5287539E-02 |GRAD(Rho)| 0.3696892E-14 GRAD(Rho)x 0.2389435E-14 GRAD(Rho)y -0.1200975E-14 GRAD(Rho)z -0.2552503E-14 Laplacian 0.2048027E-01 (-1/4)Del**2(Rho)) -0.5120066E-02 Diamond 0.1523041E-03 Metallicity 0.5399666E+00 Ellipticity -0.5379339E-01 Gb(Abramov) 0.3874155E-02 Vb(Abramov) -0.2628244E-02 Hb(Abramov) 0.1245911E-02 Ex_ueg -0.6803356E-03 Ec_ueg -0.1593077E-03 Delta_ex -0.7168525E-03 Delta_ec 0.8697281E-04 Delta_et -0.7044221E-03 Pxc 0.4270576E+01 Qxc -0.8242260E+01 3,+3 65 3 +3 -1.093959 1.099350 -1.138036 Rho 0.5335738E-02 |GRAD(Rho)| 0.5941483E-17 GRAD(Rho)x 0.1874851E-17 GRAD(Rho)y -0.2199121E-17 GRAD(Rho)z 0.5191341E-17 Laplacian 0.2109387E-01 (-1/4)Del**2(Rho)) -0.5273468E-02 Diamond 0.1649788E-03 Metallicity 0.5322484E+00 Ellipticity -0.3672272E+00 Gb(Abramov) 0.3983444E-02 Vb(Abramov) -0.2693421E-02 Hb(Abramov) 0.1290024E-02 Ex_ueg -0.6886170E-03 Ec_ueg -0.1613895E-03 Delta_ex -0.7454381E-03 Delta_ec 0.9892236E-04 Delta_et -0.7746055E-03 Pxc 0.4266802E+01 Qxc -0.7535588E+01 3,+3 66 3 +1 -1.065236 -1.405725 -2.208322 Rho 0.2589995E-01 |GRAD(Rho)| 0.2509935E-16 GRAD(Rho)x 0.1136341E-16 GRAD(Rho)y -0.2064241E-16 GRAD(Rho)z -0.8645305E-17 Laplacian 0.1020128E+00 (-1/4)Del**2(Rho)) -0.2550320E-01 Diamond 0.1352679E-01 Metallicity 0.1531523E+01 Ellipticity -0.3115900E+01 Gb(Abramov) 0.2351192E-01 Vb(Abramov) -0.2152064E-01 Hb(Abramov) 0.1991279E-02 Ex_ueg -0.5659573E-02 Ec_ueg -0.1134131E-02 Delta_ex -0.6355085E-02 Delta_ec 0.1642092E-02 Delta_et -0.1463899E-01 Pxc 0.4990227E+01 Qxc -0.3870116E+01 3,+1 67 3 +3 -2.324858 -0.049555 -0.064912 Rho 0.4848423E-02 |GRAD(Rho)| 0.1411980E-12 GRAD(Rho)x -0.8331145E-13 GRAD(Rho)y -0.8059591E-13 GRAD(Rho)z -0.8062485E-13 Laplacian 0.2021145E-01 (-1/4)Del**2(Rho)) -0.5052863E-02 Diamond 0.1977222E-03 Metallicity 0.4735326E+00 Ellipticity -0.4734234E+00 Gb(Abramov) 0.3767358E-02 Vb(Abramov) -0.2481853E-02 Hb(Abramov) 0.1285505E-02 Ex_ueg -0.6060649E-03 Ec_ueg -0.1403957E-03 Delta_ex -0.7527305E-03 Delta_ec 0.1968282E-03 Delta_et -0.1237421E-02 Pxc 0.4316834E+01 Qxc -0.3824302E+01 3,+3 68 3 +1 -0.565189 -0.505128 1.640439 Rho 0.8609347E-02 |GRAD(Rho)| 0.1349236E-16 GRAD(Rho)x -0.3515220E-18 GRAD(Rho)y -0.1193298E-16 GRAD(Rho)z 0.6286824E-17 Laplacian 0.3322787E-01 (-1/4)Del**2(Rho)) -0.8306968E-02 Diamond 0.8987898E-03 Metallicity 0.7499995E+00 Ellipticity -0.1468931E+01 Gb(Abramov) 0.6576349E-02 Vb(Abramov) -0.4845730E-02 Hb(Abramov) 0.1730619E-02 Ex_ueg -0.1303203E-02 Ec_ueg -0.3053984E-03 Delta_ex -0.1522109E-02 Delta_ec 0.4741990E-03 Delta_et -0.3236651E-02 Pxc 0.4267223E+01 Qxc -0.3209853E+01 3,+1 69 3 +3 0.027373 -2.330962 -0.006991 Rho 0.4663419E-02 |GRAD(Rho)| 0.4527631E-15 GRAD(Rho)x 0.2729322E-15 GRAD(Rho)y 0.2909355E-15 GRAD(Rho)z 0.2141472E-15 Laplacian 0.1900311E-01 (-1/4)Del**2(Rho)) -0.4750776E-02 Diamond 0.1755642E-03 Metallicity 0.4720225E+00 Ellipticity -0.3522354E+00 Gb(Abramov) 0.3540930E-02 Vb(Abramov) -0.2331083E-02 Hb(Abramov) 0.1209847E-02 Ex_ueg -0.5754280E-03 Ec_ueg -0.1324572E-03 Delta_ex -0.6999694E-03 Delta_ec 0.1836514E-03 Delta_et -0.1145577E-02 Pxc 0.4344255E+01 Qxc -0.3811403E+01 3,+3 70 3 -1 -2.742442 1.785070 -0.561665 Rho 0.1871394E+00 |GRAD(Rho)| 0.1313149E-13 GRAD(Rho)x 0.1720073E-14 GRAD(Rho)y 0.1028328E-13 GRAD(Rho)z 0.7983197E-14 Laplacian 0.7833194E+00 (-1/4)Del**2(Rho)) -0.1958298E+00 Diamond 0.2038723E+01 Metallicity 0.5386205E+01 Ellipticity 0.1642253E-01 Gb(Abramov) 0.3063499E+00 Vb(Abramov) -0.4168699E+00 Hb(Abramov) -0.1105200E+00 Ex_ueg -0.7905669E-01 Ec_ueg -0.1086202E-01 Delta_ex -0.8865682E-01 Delta_ec 0.1835479E-01 Delta_et -0.2495223E+00 Pxc 0.7278266E+01 Qxc -0.4830173E+01 3,-1 71 3 -1 -2.947814 1.978104 0.843329 Rho 0.1370985E+00 |GRAD(Rho)| 0.3658054E-12 GRAD(Rho)x 0.1117635E-12 GRAD(Rho)y 0.2071807E-12 GRAD(Rho)z -0.2799976E-12 Laplacian 0.5331557E+00 (-1/4)Del**2(Rho)) -0.1332889E+00 Diamond 0.9689041E+00 Metallicity 0.4711370E+01 Ellipticity 0.2600026E-01 Gb(Abramov) 0.1935215E+00 Vb(Abramov) -0.2537541E+00 Hb(Abramov) -0.6023260E-01 Ex_ueg -0.5221102E-01 Ec_ueg -0.7622822E-02 Delta_ex -0.5600134E-01 Delta_ec 0.1381107E-01 Delta_et -0.1814071E+00 Pxc 0.6849303E+01 Qxc -0.4054816E+01 3,-1 72 3 +1 -1.661870 -0.525761 0.509586 Rho 0.9072412E-02 |GRAD(Rho)| 0.6350649E-17 GRAD(Rho)x 0.1867350E-17 GRAD(Rho)y -0.1470899E-17 GRAD(Rho)z 0.5888990E-17 Laplacian 0.3513868E-01 (-1/4)Del**2(Rho)) -0.8784671E-02 Diamond 0.1002383E-02 Metallicity 0.7739251E+00 Ellipticity -0.1466139E+01 Gb(Abramov) 0.6989560E-02 Vb(Abramov) -0.5194450E-02 Hb(Abramov) 0.1795111E-02 Ex_ueg -0.1397490E-02 Ec_ueg -0.3261664E-03 Delta_ex -0.1623388E-02 Delta_ec 0.4876451E-03 Delta_et -0.3384537E-02 Pxc 0.4284593E+01 Qxc -0.3329036E+01 3,+1 73 3 -1 -2.769417 -0.539923 1.809425 Rho 0.1389218E+00 |GRAD(Rho)| 0.1044361E-15 GRAD(Rho)x -0.7318365E-18 GRAD(Rho)y 0.7781861E-16 GRAD(Rho)z 0.6964644E-16 Laplacian 0.5859574E+00 (-1/4)Del**2(Rho)) -0.1464893E+00 Diamond 0.1083946E+01 Metallicity 0.4382255E+01 Ellipticity 0.9690272E-02 Gb(Abramov) 0.2046518E+00 Vb(Abramov) -0.2628143E+00 Hb(Abramov) -0.5816248E-01 Ex_ueg -0.5313884E-01 Ec_ueg -0.7738163E-02 Delta_ex -0.6176814E-01 Delta_ec 0.1517064E-01 Delta_et -0.1997506E+00 Pxc 0.6867113E+01 Qxc -0.4071557E+01 3,-1 74 3 +3 0.056575 2.306107 -0.024751 Rho 0.4811089E-02 |GRAD(Rho)| 0.7033270E-17 GRAD(Rho)x -0.5930428E-17 GRAD(Rho)y -0.1743615E-17 GRAD(Rho)z -0.3355103E-17 Laplacian 0.1994283E-01 (-1/4)Del**2(Rho)) -0.4985707E-02 Diamond 0.1863667E-03 Metallicity 0.4737675E+00 Ellipticity -0.3858314E+00 Gb(Abramov) 0.3717483E-02 Vb(Abramov) -0.2449258E-02 Hb(Abramov) 0.1268225E-02 Ex_ueg -0.5998503E-03 Ec_ueg -0.1387922E-03 Delta_ex -0.7347249E-03 Delta_ec 0.1825352E-03 Delta_et -0.1160742E-02 Pxc 0.4321929E+01 Qxc -0.4025113E+01 3,+3 75 3 -1 -2.741222 0.530482 -1.836628 Rho 0.8631472E-01 |GRAD(Rho)| 0.2076677E-15 GRAD(Rho)x 0.8160231E-16 GRAD(Rho)y -0.1407396E-15 GRAD(Rho)z -0.1290709E-15 Laplacian 0.3534502E+00 (-1/4)Del**2(Rho)) -0.8836255E-01 Diamond 0.3681623E+00 Metallicity 0.3286697E+01 Ellipticity 0.1946732E-01 Gb(Abramov) 0.1073119E+00 Vb(Abramov) -0.1262612E+00 Hb(Abramov) -0.1894931E-01 Ex_ueg -0.2817290E-01 Ec_ueg -0.4503795E-02 Delta_ex -0.3329910E-01 Delta_ec 0.1018016E-01 Delta_et -0.1226652E+00 Pxc 0.6255368E+01 Qxc -0.3270979E+01 3,-1 76 3 +3 -0.028959 0.058134 2.305737 Rho 0.4436249E-02 |GRAD(Rho)| 0.6428667E-17 GRAD(Rho)x -0.5036593E-17 GRAD(Rho)y -0.6193213E-18 GRAD(Rho)z 0.3946763E-17 Laplacian 0.1791831E-01 (-1/4)Del**2(Rho)) -0.4479577E-02 Diamond 0.1514893E-03 Metallicity 0.4606199E+00 Ellipticity -0.3047280E+00 Gb(Abramov) 0.3330281E-02 Vb(Abramov) -0.2180986E-02 Hb(Abramov) 0.1149295E-02 Ex_ueg -0.5383601E-03 Ec_ueg -0.1227335E-03 Delta_ex -0.6482092E-03 Delta_ec 0.1669281E-03 Delta_et -0.1036996E-02 Pxc 0.4386414E+01 Qxc -0.3883163E+01 3,+3 77 3 -1 -2.977286 0.880648 2.001223 Rho 0.1465720E+00 |GRAD(Rho)| 0.3413483E-15 GRAD(Rho)x -0.2893465E-16 GRAD(Rho)y 0.3288385E-15 GRAD(Rho)z 0.8687170E-16 Laplacian 0.5816874E+00 (-1/4)Del**2(Rho)) -0.1454218E+00 Diamond 0.1150601E+01 Metallicity 0.4826978E+01 Ellipticity 0.5235949E-01 Gb(Abramov) 0.2139392E+00 Vb(Abramov) -0.2824566E+00 Hb(Abramov) -0.6851738E-01 Ex_ueg -0.5707595E-01 Ec_ueg -0.8224436E-02 Delta_ex -0.6215635E-01 Delta_ec 0.1491855E-01 Delta_et -0.1981161E+00 Pxc 0.6939801E+01 Qxc -0.4166380E+01 3,-1 78 3 -1 -1.969405 0.861586 2.998432 Rho 0.1438553E+00 |GRAD(Rho)| 0.7845057E-15 GRAD(Rho)x -0.5303239E-15 GRAD(Rho)y -0.5119332E-15 GRAD(Rho)z -0.2685704E-15 Laplacian 0.5661852E+00 (-1/4)Del**2(Rho)) -0.1415463E+00 Diamond 0.1095535E+01 Metallicity 0.4806893E+01 Ellipticity 0.3547759E-01 Gb(Abramov) 0.2077638E+00 Vb(Abramov) -0.2739814E+00 Hb(Abramov) -0.6621754E-01 Ex_ueg -0.5566978E-01 Ec_ueg -0.8051332E-02 Delta_ex -0.6022886E-01 Delta_ec 0.1459694E-01 Delta_et -0.1933368E+00 Pxc 0.6914357E+01 Qxc -0.4126128E+01 3,-1 79 3 +1 -1.726494 1.752194 -1.722591 Rho 0.1225107E-01 |GRAD(Rho)| 0.3835257E-17 GRAD(Rho)x -0.1751923E-17 GRAD(Rho)y -0.2147821E-17 GRAD(Rho)z -0.2650817E-17 Laplacian 0.6146799E-01 (-1/4)Del**2(Rho)) -0.1536700E-01 Diamond 0.2578395E-02 Metallicity 0.7298845E+00 Ellipticity -0.1287042E+01 Gb(Abramov) 0.1211402E-01 Vb(Abramov) -0.8861043E-02 Hb(Abramov) 0.3252977E-02 Ex_ueg -0.2085853E-02 Ec_ueg -0.4711716E-03 Delta_ex -0.3050467E-02 Delta_ec 0.8201408E-03 Delta_et -0.6163946E-02 Pxc 0.4426950E+01 Qxc -0.3719443E+01 3,+1 80 3 +1 0.549059 -1.678594 -0.543217 Rho 0.8621295E-02 |GRAD(Rho)| 0.1292972E-10 GRAD(Rho)x -0.1070371E-10 GRAD(Rho)y 0.6857466E-11 GRAD(Rho)z -0.2362928E-11 Laplacian 0.3317324E-01 (-1/4)Del**2(Rho)) -0.8293309E-02 Diamond 0.9021516E-03 Metallicity 0.7529732E+00 Ellipticity -0.1477392E+01 Gb(Abramov) 0.6569646E-02 Vb(Abramov) -0.4845983E-02 Hb(Abramov) 0.1723663E-02 Ex_ueg -0.1305615E-02 Ec_ueg -0.3059330E-03 Delta_ex -0.1521550E-02 Delta_ec 0.4759389E-03 Delta_et -0.3247673E-02 Pxc 0.4267649E+01 Qxc -0.3196943E+01 3,+1 81 3 +3 1.088354 1.099122 1.128834 Rho 0.5056239E-02 |GRAD(Rho)| 0.9349748E-13 GRAD(Rho)x -0.6549782E-13 GRAD(Rho)y -0.6506344E-13 GRAD(Rho)z 0.1478390E-13 Laplacian 0.1954575E-01 (-1/4)Del**2(Rho)) -0.4886436E-02 Diamond 0.1402134E-03 Metallicity 0.5251382E+00 Ellipticity -0.1068995E+00 Gb(Abramov) 0.3685300E-02 Vb(Abramov) -0.2484164E-02 Hb(Abramov) 0.1201136E-02 Ex_ueg -0.6409466E-03 Ec_ueg -0.1493338E-03 Delta_ex -0.6788669E-03 Delta_ec 0.8873240E-04 Delta_et -0.6962117E-03 Pxc 0.4292040E+01 Qxc -0.7650721E+01 3,+3 82 3 -1 -2.007872 -2.963443 -0.876855 Rho 0.1367517E+00 |GRAD(Rho)| 0.2868432E-09 GRAD(Rho)x 0.1526620E-09 GRAD(Rho)y -0.1228790E-09 GRAD(Rho)z -0.2094614E-09 Laplacian 0.5354493E+00 (-1/4)Del**2(Rho)) -0.1338623E+00 Diamond 0.9781804E+00 Metallicity 0.4671424E+01 Ellipticity 0.3068732E-01 Gb(Abramov) 0.1934628E+00 Vb(Abramov) -0.2530633E+00 Hb(Abramov) -0.5960050E-01 Ex_ueg -0.5203497E-01 Ec_ueg -0.7600902E-02 Delta_ex -0.5629854E-01 Delta_ec 0.1404126E-01 Delta_et -0.1846857E+00 Pxc 0.6845893E+01 Qxc -0.4009508E+01 3,-1 83 3 +1 -0.161364 -2.888584 -0.190975 Rho 0.5332835E-02 |GRAD(Rho)| 0.7170445E-17 GRAD(Rho)x 0.5763969E-17 GRAD(Rho)y -0.1658632E-17 GRAD(Rho)z -0.3929489E-17 Laplacian 0.2201348E-01 (-1/4)Del**2(Rho)) -0.5503370E-02 Diamond 0.5485746E-03 Metallicity 0.5095515E+00 Ellipticity -0.3005863E+01 Gb(Abramov) 0.4136288E-02 Vb(Abramov) -0.2769207E-02 Hb(Abramov) 0.1367081E-02 Ex_ueg -0.6881175E-03 Ec_ueg -0.1612641E-03 Delta_ex -0.1098664E-02 Delta_ec 0.6760756E-03 Delta_et -0.3750227E-02 Pxc 0.4267023E+01 Qxc -0.1625061E+01 3,+1 84 3 -1 -1.811197 -2.757061 0.541006 Rho 0.1440098E+00 |GRAD(Rho)| 0.1222990E-13 GRAD(Rho)x 0.1040353E-13 GRAD(Rho)y 0.6418809E-14 GRAD(Rho)z 0.3688185E-15 Laplacian 0.6029222E+00 (-1/4)Del**2(Rho)) -0.1507305E+00 Diamond 0.1162620E+01 Metallicity 0.4522087E+01 Ellipticity 0.1088597E-01 Gb(Abramov) 0.2140898E+00 Vb(Abramov) -0.2774490E+00 Hb(Abramov) -0.6335924E-01 Ex_ueg -0.5574954E-01 Ec_ueg -0.8061167E-02 Delta_ex -0.6409573E-01 Delta_ec 0.1543661E-01 Delta_et -0.2042672E+00 Pxc 0.6915815E+01 Qxc -0.4152189E+01 3,-1 85 3 -1 -1.729738 -1.714514 -0.548018 Rho 0.4934392E-01 |GRAD(Rho)| 0.1547189E-15 GRAD(Rho)x -0.1251716E-15 GRAD(Rho)y -0.8460546E-16 GRAD(Rho)z 0.3334578E-16 Laplacian 0.2017189E+00 (-1/4)Del**2(Rho)) -0.5042973E-01 Diamond 0.9942881E-01 Metallicity 0.2267719E+01 Ellipticity 0.1212582E-01 Gb(Abramov) 0.5267990E-01 Vb(Abramov) -0.5493007E-01 Hb(Abramov) -0.2250169E-02 Ex_ueg -0.1336688E-01 Ec_ueg -0.2378641E-02 Delta_ex -0.1650465E-01 Delta_ec 0.5932051E-02 Delta_et -0.6231514E-01 Pxc 0.5619545E+01 Qxc -0.2782284E+01 3,-1 86 3 +1 -1.731030 -1.739173 1.731658 Rho 0.1225461E-01 |GRAD(Rho)| 0.1715850E-16 GRAD(Rho)x 0.1334311E-16 GRAD(Rho)y -0.1053520E-16 GRAD(Rho)z 0.2320567E-17 Laplacian 0.6203720E-01 (-1/4)Del**2(Rho)) -0.1550930E-01 Diamond 0.2555639E-02 Metallicity 0.7235356E+00 Ellipticity -0.1244657E+01 Gb(Abramov) 0.1220979E-01 Vb(Abramov) -0.8910276E-02 Hb(Abramov) 0.3299511E-02 Ex_ueg -0.2086656E-02 Ec_ueg -0.4713352E-03 Delta_ex -0.3065555E-02 Delta_ec 0.8038229E-03 Delta_et -0.6059410E-02 Pxc 0.4427117E+01 Qxc -0.3813720E+01 3,+1 87 3 +1 -0.526380 -1.661273 0.525192 Rho 0.9055068E-02 |GRAD(Rho)| 0.3586056E-15 GRAD(Rho)x -0.2696184E-15 GRAD(Rho)y -0.2263966E-15 GRAD(Rho)z 0.6818006E-16 Laplacian 0.3504426E-01 (-1/4)Del**2(Rho)) -0.8761064E-02 Diamond 0.1005771E-02 Metallicity 0.7735396E+00 Ellipticity -0.1476677E+01 Gb(Abramov) 0.6970214E-02 Vb(Abramov) -0.5179365E-02 Hb(Abramov) 0.1790850E-02 Ex_ueg -0.1393929E-02 Ec_ueg -0.3253868E-03 Delta_ex -0.1621891E-02 Delta_ec 0.4928596E-03 Delta_et -0.3413771E-02 Pxc 0.4283914E+01 Qxc -0.3290776E+01 3,+1 88 3 +1 -0.152751 2.892688 0.202420 Rho 0.5662082E-02 |GRAD(Rho)| 0.2568807E-14 GRAD(Rho)x -0.1891223E-14 GRAD(Rho)y -0.3409382E-15 GRAD(Rho)z 0.1704643E-14 Laplacian 0.2377537E-01 (-1/4)Del**2(Rho)) -0.5943843E-02 Diamond 0.6365815E-03 Metallicity 0.5213301E+00 Ellipticity -0.2897311E+01 Gb(Abramov) 0.4479012E-02 Vb(Abramov) -0.3014182E-02 Hb(Abramov) 0.1464830E-02 Ex_ueg -0.7453380E-03 Ec_ueg -0.1755152E-03 Delta_ex -0.1196283E-02 Delta_ec 0.7222792E-03 Delta_et -0.4082147E-02 Pxc 0.4246572E+01 Qxc -0.1656262E+01 3,+1 89 3 -1 -1.763757 2.757091 -0.559873 Rho 0.1699783E+00 |GRAD(Rho)| 0.4226951E-14 GRAD(Rho)x 0.3851926E-14 GRAD(Rho)y -0.1562810E-14 GRAD(Rho)z -0.7664225E-15 Laplacian 0.7042297E+00 (-1/4)Del**2(Rho)) -0.1760574E+00 Diamond 0.1638345E+01 Metallicity 0.5103732E+01 Ellipticity 0.1765617E-01 Gb(Abramov) 0.2671299E+00 Vb(Abramov) -0.3582024E+00 Hb(Abramov) -0.9107250E-01 Ex_ueg -0.6954132E-01 Ec_ueg -0.9734449E-02 Delta_ex -0.7783924E-01 Delta_ec 0.1700991E-01 Delta_et -0.2292571E+00 Pxc 0.7143838E+01 Qxc -0.4576110E+01 3,-1 90 3 -1 -1.970150 2.956972 0.831585 Rho 0.1381212E+00 |GRAD(Rho)| 0.1844095E-15 GRAD(Rho)x -0.1739738E-15 GRAD(Rho)y -0.1244800E-16 GRAD(Rho)z -0.5987506E-16 Laplacian 0.5431940E+00 (-1/4)Del**2(Rho)) -0.1357985E+00 Diamond 0.9939091E+00 Metallicity 0.4681933E+01 Ellipticity 0.1659035E-01 Gb(Abramov) 0.1964989E+00 Vb(Abramov) -0.2571993E+00 Hb(Abramov) -0.6070041E-01 Ex_ueg -0.5273092E-01 Ec_ueg -0.7687489E-02 Delta_ex -0.5713565E-01 Delta_ec 0.1400427E-01 Delta_et -0.1840694E+00 Pxc 0.6859316E+01 Qxc -0.4079873E+01 3,-1 91 3 +1 -0.474064 1.668935 -0.578295 Rho 0.9126130E-02 |GRAD(Rho)| 0.1812237E-16 GRAD(Rho)x 0.1062596E-16 GRAD(Rho)y -0.1467275E-16 GRAD(Rho)z 0.4683993E-18 Laplacian 0.3639237E-01 (-1/4)Del**2(Rho)) -0.9098092E-02 Diamond 0.1063404E-02 Metallicity 0.7546529E+00 Ellipticity -0.1452642E+01 Gb(Abramov) 0.7209712E-02 Vb(Abramov) -0.5321331E-02 Hb(Abramov) 0.1888381E-02 Ex_ueg -0.1408534E-02 Ec_ueg -0.3285816E-03 Delta_ex -0.1690861E-02 Delta_ec 0.5175771E-03 Delta_et -0.3587569E-02 Pxc 0.4286709E+01 Qxc -0.3266878E+01 3,+1 92 3 -1 -1.795708 0.541391 -2.799582 Rho 0.1325039E+00 |GRAD(Rho)| 0.3887524E-14 GRAD(Rho)x -0.2783201E-14 GRAD(Rho)y -0.2707727E-14 GRAD(Rho)z 0.1866708E-15 Laplacian 0.5538188E+00 (-1/4)Del**2(Rho)) -0.1384547E+00 Diamond 0.9545758E+00 Metallicity 0.4285087E+01 Ellipticity 0.1545563E-01 Gb(Abramov) 0.1911849E+00 Vb(Abramov) -0.2439151E+00 Hb(Abramov) -0.5273018E-01 Ex_ueg -0.4989110E-01 Ec_ueg -0.7333102E-02 Delta_ex -0.5755806E-01 Delta_ec 0.1422365E-01 Delta_et -0.1853695E+00 Pxc 0.6803547E+01 Qxc -0.4046645E+01 3,-1 93 3 -1 -1.739599 0.557290 1.705859 Rho 0.4489545E-01 |GRAD(Rho)| 0.2740678E-16 GRAD(Rho)x 0.2645707E-16 GRAD(Rho)y -0.2370845E-17 GRAD(Rho)z -0.6747888E-17 Laplacian 0.1820789E+00 (-1/4)Del**2(Rho)) -0.4551973E-01 Diamond 0.7860785E-01 Metallicity 0.2146301E+01 Ellipticity 0.1168014E-01 Gb(Abramov) 0.4662967E-01 Vb(Abramov) -0.4773960E-01 Hb(Abramov) -0.1109931E-02 Ex_ueg -0.1178478E-01 Ec_ueg -0.2134719E-02 Delta_ex -0.1453214E-01 Delta_ec 0.5329760E-02 Delta_et -0.5461054E-01 Pxc 0.5520530E+01 Qxc -0.2726603E+01 3,-1 94 3 +1 0.527560 1.663270 0.524526 Rho 0.8653005E-02 |GRAD(Rho)| 0.2912359E-12 GRAD(Rho)x 0.1832039E-12 GRAD(Rho)y -0.8890222E-13 GRAD(Rho)z 0.2082093E-12 Laplacian 0.3360442E-01 (-1/4)Del**2(Rho)) -0.8401105E-02 Diamond 0.9188468E-03 Metallicity 0.7478739E+00 Ellipticity -0.1468559E+01 Gb(Abramov) 0.6647898E-02 Vb(Abramov) -0.4894691E-02 Hb(Abramov) 0.1753207E-02 Ex_ueg -0.1312022E-02 Ec_ueg -0.3073524E-03 Delta_ex -0.1542928E-02 Delta_ec 0.4824330E-03 Delta_et -0.3294866E-02 Pxc 0.4268787E+01 Qxc -0.3198222E+01 3,+1 95 3 +1 0.193251 -2.903250 0.170382 Rho 0.5275932E-02 |GRAD(Rho)| 0.1406126E-17 GRAD(Rho)x 0.9604086E-18 GRAD(Rho)y 0.9956158E-18 GRAD(Rho)z 0.2521029E-18 Laplacian 0.2188218E-01 (-1/4)Del**2(Rho)) -0.5470545E-02 Diamond 0.5055957E-03 Metallicity 0.5035251E+00 Ellipticity -0.2189513E+01 Gb(Abramov) 0.4106123E-02 Vb(Abramov) -0.2741701E-02 Hb(Abramov) 0.1364422E-02 Ex_ueg -0.6783449E-03 Ec_ueg -0.1588065E-03 Delta_ex -0.1062243E-02 Delta_ec 0.6228200E-03 Delta_et -0.3464022E-02 Pxc 0.4271518E+01 Qxc -0.1705538E+01 3,+1 96 3 +1 -0.532239 0.537963 -1.661799 Rho 0.8940565E-02 |GRAD(Rho)| 0.9990292E-17 GRAD(Rho)x 0.5636111E-18 GRAD(Rho)y -0.6927641E-17 GRAD(Rho)z 0.7176076E-17 Laplacian 0.3462716E-01 (-1/4)Del**2(Rho)) -0.8656789E-02 Diamond 0.1006667E-02 Metallicity 0.7664278E+00 Ellipticity -0.1507630E+01 Gb(Abramov) 0.6876993E-02 Vb(Abramov) -0.5097198E-02 Hb(Abramov) 0.1779796E-02 Ex_ueg -0.1370477E-02 Ec_ueg -0.3202436E-03 Delta_ex -0.1610231E-02 Delta_ec 0.5098834E-03 Delta_et -0.3501807E-02 Pxc 0.4279483E+01 Qxc -0.3158038E+01 3,+1 97 3 +3 1.104370 -1.144938 -1.105532 Rho 0.5317097E-02 |GRAD(Rho)| 0.2251799E-14 GRAD(Rho)x 0.1278707E-14 GRAD(Rho)y -0.1109799E-14 GRAD(Rho)z -0.1484538E-14 Laplacian 0.2060539E-01 (-1/4)Del**2(Rho)) -0.5151347E-02 Diamond 0.1538854E-03 Metallicity 0.5416973E+00 Ellipticity -0.4969915E-01 Gb(Abramov) 0.3899310E-02 Vb(Abramov) -0.2647273E-02 Hb(Abramov) 0.1252037E-02 Ex_ueg -0.6854112E-03 Ec_ueg -0.1605842E-03 Delta_ex -0.7219066E-03 Delta_ec 0.8670115E-04 Delta_et -0.7052559E-03 Pxc 0.4268235E+01 Qxc -0.8326379E+01 3,+3 98 3 +1 -0.114496 0.135901 2.902595 Rho 0.5137823E-02 |GRAD(Rho)| 0.2287943E-14 GRAD(Rho)x -0.1671135E-14 GRAD(Rho)y 0.1553645E-14 GRAD(Rho)z 0.1678693E-15 Laplacian 0.2089811E-01 (-1/4)Del**2(Rho)) -0.5224527E-02 Diamond 0.5236437E-03 Metallicity 0.5044344E+00 Ellipticity -0.4288057E+01 Gb(Abramov) 0.3922257E-02 Vb(Abramov) -0.2619986E-02 Hb(Abramov) 0.1302270E-02 Ex_ueg -0.6547727E-03 Ec_ueg -0.1528487E-03 Delta_ex -0.1060765E-02 Delta_ec 0.6870895E-03 Delta_et -0.3750362E-02 Pxc 0.4283796E+01 Qxc -0.1543853E+01 3,+1 99 3 +1 0.164171 0.197326 -2.873156 Rho 0.5371984E-02 |GRAD(Rho)| 0.2939356E-16 GRAD(Rho)x 0.2122650E-16 GRAD(Rho)y 0.2029035E-16 GRAD(Rho)z -0.1310843E-17 Laplacian 0.2215662E-01 (-1/4)Del**2(Rho)) -0.5539154E-02 Diamond 0.5345311E-03 Metallicity 0.5124690E+00 Ellipticity -0.2500748E+01 Gb(Abramov) 0.4165877E-02 Vb(Abramov) -0.2792600E-02 Hb(Abramov) 0.1373277E-02 Ex_ueg -0.6948611E-03 Ec_ueg -0.1629558E-03 Delta_ex -0.1087932E-02 Delta_ec 0.6457150E-03 Delta_et -0.3603945E-02 Pxc 0.4264109E+01 Qxc -0.1684849E+01 3,+1 100 3 -1 -1.716408 1.719752 0.487210 Rho 0.5903326E-01 |GRAD(Rho)| 0.1539596E-13 GRAD(Rho)x -0.1018862E-13 GRAD(Rho)y 0.1029347E-13 GRAD(Rho)z -0.5222277E-14 Laplacian 0.2391699E+00 (-1/4)Del**2(Rho)) -0.5979247E-01 Diamond 0.1484464E+00 Metallicity 0.2578702E+01 Ellipticity 0.1488092E-01 Gb(Abramov) 0.6555948E-01 Vb(Abramov) -0.7132649E-01 Hb(Abramov) -0.5767008E-02 Ex_ueg -0.1697647E-01 Ec_ueg -0.2919967E-02 Delta_ex -0.2041145E-01 Delta_ec 0.6901110E-02 Delta_et -0.7585563E-01 Pxc 0.5813925E+01 Qxc -0.2957706E+01 3,-1 101 3 +1 -0.214736 -0.185855 -2.877189 Rho 0.5339276E-02 |GRAD(Rho)| 0.6313100E-17 GRAD(Rho)x -0.6051064E-17 GRAD(Rho)y -0.1495634E-17 GRAD(Rho)z -0.1001461E-17 Laplacian 0.2203497E-01 (-1/4)Del**2(Rho)) -0.5508742E-02 Diamond 0.5082491E-03 Metallicity 0.5100797E+00 Ellipticity -0.2162537E+01 Gb(Abramov) 0.4140811E-02 Vb(Abramov) -0.2772880E-02 Hb(Abramov) 0.1367931E-02 Ex_ueg -0.6892259E-03 Ec_ueg -0.1615423E-03 Delta_ex -0.1064476E-02 Delta_ec 0.6133159E-03 Delta_et -0.3429409E-02 Pxc 0.4266534E+01 Qxc -0.1735608E+01 3,+1 102 3 -1 -1.709010 -0.569027 -1.786856 Rho 0.4426163E-01 |GRAD(Rho)| 0.8359555E-16 GRAD(Rho)x 0.3831236E-16 GRAD(Rho)y -0.5717261E-17 GRAD(Rho)z 0.7407896E-16 Laplacian 0.1884965E+00 (-1/4)Del**2(Rho)) -0.4712414E-01 Diamond 0.8295925E-01 Metallicity 0.2024676E+01 Ellipticity 0.1478736E-01 Gb(Abramov) 0.4731794E-01 Vb(Abramov) -0.4751174E-01 Hb(Abramov) -0.1938022E-03 Ex_ueg -0.1156347E-01 Ec_ueg -0.2100223E-02 Delta_ex -0.1515000E-01 Delta_ec 0.5802376E-02 Delta_et -0.5928413E-01 Pxc 0.5505830E+01 Qxc -0.2611000E+01 3,-1 103 3 -1 -1.804239 -0.548044 2.773861 Rho 0.1382449E+00 |GRAD(Rho)| 0.1310590E-13 GRAD(Rho)x -0.9513942E-14 GRAD(Rho)y 0.8968276E-14 GRAD(Rho)z -0.9052207E-15 Laplacian 0.5813163E+00 (-1/4)Del**2(Rho)) -0.1453291E+00 Diamond 0.1070150E+01 Metallicity 0.4381428E+01 Ellipticity 0.1204996E-01 Gb(Abramov) 0.2030109E+00 Vb(Abramov) -0.2606926E+00 Hb(Abramov) -0.5768179E-01 Ex_ueg -0.5279390E-01 Ec_ueg -0.7695316E-02 Delta_ex -0.6121817E-01 Delta_ec 0.1508978E-01 Delta_et -0.1985816E+00 Pxc 0.6860523E+01 Qxc -0.4056930E+01 3,-1 104 3 +1 1.658974 -0.553713 -0.535534 Rho 0.9052014E-02 |GRAD(Rho)| 0.1593856E-12 GRAD(Rho)x -0.1339620E-12 GRAD(Rho)y 0.6110592E-13 GRAD(Rho)z 0.6102485E-13 Laplacian 0.3509564E-01 (-1/4)Del**2(Rho)) -0.8773909E-02 Diamond 0.1003794E-02 Metallicity 0.7719729E+00 Ellipticity -0.1470448E+01 Gb(Abramov) 0.6978142E-02 Vb(Abramov) -0.5182376E-02 Hb(Abramov) 0.1795766E-02 Ex_ueg -0.1393302E-02 Ec_ueg -0.3252495E-03 Delta_ex -0.1622872E-02 Delta_ec 0.4913370E-03 Delta_et -0.3404726E-02 Pxc 0.4283795E+01 Qxc -0.3302971E+01 3,+1 105 3 +1 -1.075483 1.387599 2.138519 Rho 0.2641105E-01 |GRAD(Rho)| 0.4897015E-16 GRAD(Rho)x 0.1588863E-17 GRAD(Rho)y -0.2313939E-16 GRAD(Rho)z -0.4312910E-16 Laplacian 0.1049399E+00 (-1/4)Del**2(Rho)) -0.2623499E-01 Diamond 0.1485339E-01 Metallicity 0.1538090E+01 Ellipticity -0.3726980E+01 Gb(Abramov) 0.2421529E-01 Vb(Abramov) -0.2219558E-01 Hb(Abramov) 0.2019701E-02 Ex_ueg -0.5808971E-02 Ec_ueg -0.1160017E-02 Delta_ex -0.6628390E-02 Delta_ec 0.1789858E-02 Delta_et -0.1601032E-01 Pxc 0.5007659E+01 Qxc -0.3703306E+01 3,+1 106 3 +1 -1.011080 2.157848 1.427686 Rho 0.2833491E-01 |GRAD(Rho)| 0.3223628E-15 GRAD(Rho)x 0.5257260E-16 GRAD(Rho)y 0.2511029E-15 GRAD(Rho)z 0.1951954E-15 Laplacian 0.1153215E+00 (-1/4)Del**2(Rho)) -0.2883038E-01 Diamond 0.1576327E-01 Metallicity 0.1573642E+01 Ellipticity -0.2370926E+01 Gb(Abramov) 0.2678170E-01 Vb(Abramov) -0.2473302E-01 Hb(Abramov) 0.2048677E-02 Ex_ueg -0.6379905E-02 Ec_ueg -0.1258044E-02 Delta_ex -0.7218925E-02 Delta_ec 0.1602725E-02 Delta_et -0.1463147E-01 Pxc 0.5071288E+01 Qxc -0.4504155E+01 3,+1 107 3 -1 -0.842908 -2.999018 -1.996408 Rho 0.1354333E+00 |GRAD(Rho)| 0.5394831E-14 GRAD(Rho)x 0.4414207E-14 GRAD(Rho)y 0.1352400E-14 GRAD(Rho)z -0.2791055E-14 Laplacian 0.5283069E+00 (-1/4)Del**2(Rho)) -0.1320767E+00 Diamond 0.9394430E+00 Metallicity 0.4658752E+01 Ellipticity 0.5276147E-01 Gb(Abramov) 0.1906032E+00 Vb(Abramov) -0.2491298E+00 Hb(Abramov) -0.5852653E-01 Ex_ueg -0.5136719E-01 Ec_ueg -0.7517664E-02 Delta_ex -0.5525169E-01 Delta_ec 0.1359032E-01 Delta_et -0.1779011E+00 Pxc 0.6832867E+01 Qxc -0.4065517E+01 3,-1 108 3 -1 -0.023749 -2.901451 -0.051516 Rho 0.5355931E-02 |GRAD(Rho)| 0.2654734E-17 GRAD(Rho)x 0.2381869E-17 GRAD(Rho)y 0.2044773E-18 GRAD(Rho)z -0.1154340E-17 Laplacian 0.2149455E-01 (-1/4)Del**2(Rho)) -0.5373637E-02 Diamond 0.6385363E-03 Metallicity 0.5256255E+00 Ellipticity 0.2661950E+01 Gb(Abramov) 0.4053178E-02 Vb(Abramov) -0.2732719E-02 Hb(Abramov) 0.1320459E-02 Ex_ueg -0.6920939E-03 Ec_ueg -0.1622620E-03 Delta_ex -0.1158203E-02 Delta_ec 0.8110535E-03 Delta_et -0.4442729E-02 Pxc 0.4265287E+01 Qxc -0.1428023E+01 3,-1 109 3 -1 -0.571776 -2.771467 1.790981 Rho 0.1285416E+00 |GRAD(Rho)| 0.1099875E-11 GRAD(Rho)x -0.7026054E-12 GRAD(Rho)y -0.2316493E-12 GRAD(Rho)z -0.8138848E-12 Laplacian 0.5402271E+00 (-1/4)Del**2(Rho)) -0.1350568E+00 Diamond 0.8973167E+00 Metallicity 0.4176153E+01 Ellipticity 0.7130973E-02 Gb(Abramov) 0.1840408E+00 Vb(Abramov) -0.2330248E+00 Hb(Abramov) -0.4898403E-01 Ex_ueg -0.4791190E-01 Ec_ueg -0.7084371E-02 Delta_ex -0.5572839E-01 Delta_ec 0.1396606E-01 Delta_et -0.1811228E+00 Pxc 0.6763042E+01 Qxc -0.3990274E+01 3,-1 110 3 -1 -0.823794 -2.024359 -2.998489 Rho 0.1011469E+00 |GRAD(Rho)| 0.2556934E-14 GRAD(Rho)x 0.1442619E-14 GRAD(Rho)y -0.2110660E-14 GRAD(Rho)z 0.4327322E-16 Laplacian 0.3941699E+00 (-1/4)Del**2(Rho)) -0.9854247E-01 Diamond 0.4953247E+00 Metallicity 0.3838702E+01 Ellipticity 0.1754577E-01 Gb(Abramov) 0.1287408E+00 Vb(Abramov) -0.1589392E+00 Hb(Abramov) -0.3019837E-01 Ex_ueg -0.3480611E-01 Ec_ueg -0.5394582E-02 Delta_ex -0.3848643E-01 Delta_ec 0.1091251E-01 Delta_et -0.1357978E+00 Pxc 0.6452048E+01 Qxc -0.3526818E+01 3,-1 111 3 +1 -1.080239 -2.167736 -1.392684 Rho 0.2897005E-01 |GRAD(Rho)| 0.8236326E-16 GRAD(Rho)x 0.3013450E-16 GRAD(Rho)y 0.7456095E-16 GRAD(Rho)z 0.1778435E-16 Laplacian 0.1180061E+00 (-1/4)Del**2(Rho)) -0.2950154E-01 Diamond 0.1910471E-01 Metallicity 0.1595722E+01 Ellipticity -0.4148484E+01 Gb(Abramov) 0.2751373E-01 Vb(Abramov) -0.2552593E-01 Hb(Abramov) 0.1987804E-02 Ex_ueg -0.6571291E-02 Ec_ueg -0.1290604E-02 Delta_ex -0.7653003E-02 Delta_ec 0.2033829E-02 Delta_et -0.1859991E-01 Pxc 0.5091638E+01 Qxc -0.3762855E+01 3,+1 112 3 -1 -0.548455 1.764510 1.709772 Rho 0.3903721E-01 |GRAD(Rho)| 0.1754352E-15 GRAD(Rho)x -0.8209412E-16 GRAD(Rho)y -0.1209525E-15 GRAD(Rho)z -0.9699777E-16 Laplacian 0.1644293E+00 (-1/4)Del**2(Rho)) -0.4110731E-01 Diamond 0.6063387E-01 Metallicity 0.1882632E+01 Ellipticity 0.9226057E-02 Gb(Abramov) 0.4030320E-01 Vb(Abramov) -0.3949909E-01 Hb(Abramov) 0.8041146E-03 Ex_ueg -0.9780404E-02 Ec_ueg -0.1818517E-02 Delta_ex -0.1278980E-01 Delta_ec 0.5025264E-02 Delta_et -0.4962657E-01 Pxc 0.5378230E+01 Qxc -0.2545100E+01 3,-1 113 3 -1 -0.537965 1.824876 -2.774279 Rho 0.1305594E+00 |GRAD(Rho)| 0.3078500E-15 GRAD(Rho)x 0.2944151E-15 GRAD(Rho)y 0.8986681E-16 GRAD(Rho)z 0.3916680E-17 Laplacian 0.5494316E+00 (-1/4)Del**2(Rho)) -0.1373579E+00 Diamond 0.9300685E+00 Metallicity 0.4214178E+01 Ellipticity 0.1277797E-01 Gb(Abramov) 0.1880470E+00 Vb(Abramov) -0.2387362E+00 Hb(Abramov) -0.5068914E-01 Ex_ueg -0.4891729E-01 Ec_ueg -0.7210906E-02 Delta_ex -0.5689456E-01 Delta_ec 0.1415563E-01 Delta_et -0.1840453E+00 Pxc 0.6783793E+01 Qxc -0.4019216E+01 3,-1 114 3 +1 0.236241 2.912567 -0.205665 Rho 0.5521675E-02 |GRAD(Rho)| 0.1543857E-17 GRAD(Rho)x 0.1137705E-17 GRAD(Rho)y -0.3787181E-18 GRAD(Rho)z -0.9724683E-18 Laplacian 0.2325512E-01 (-1/4)Del**2(Rho)) -0.5813781E-02 Diamond 0.5406058E-03 Metallicity 0.5111471E+00 Ellipticity -0.1885506E+01 Gb(Abramov) 0.4371137E-02 Vb(Abramov) -0.2928493E-02 Hb(Abramov) 0.1442644E-02 Ex_ueg -0.7207968E-03 Ec_ueg -0.1694312E-03 Delta_ex -0.1114372E-02 Delta_ec 0.6173581E-03 Delta_et -0.3499995E-02 Pxc 0.4254215E+01 Qxc -0.1805065E+01 3,+1 115 3 +1 2.177382 1.250853 -1.204585 Rho 0.2994464E-01 |GRAD(Rho)| 0.1890634E-15 GRAD(Rho)x -0.1218256E-15 GRAD(Rho)y -0.2173742E-16 GRAD(Rho)z -0.1429369E-15 Laplacian 0.1239728E+00 (-1/4)Del**2(Rho)) -0.3099320E-01 Diamond 0.2271191E-01 Metallicity 0.1605037E+01 Ellipticity -0.1016297E+02 Gb(Abramov) 0.2895300E-01 Vb(Abramov) -0.2691281E-01 Hb(Abramov) 0.2040192E-02 Ex_ueg -0.6867686E-02 Ec_ueg -0.1340752E-02 Delta_ex -0.8257471E-02 Delta_ec 0.2396572E-02 Delta_et -0.2206798E-01 Pxc 0.5122265E+01 Qxc -0.3445534E+01 3,+1 116 3 -1 -0.831683 2.005811 2.991190 Rho 0.1313924E+00 |GRAD(Rho)| 0.8636660E-16 GRAD(Rho)x 0.4739319E-16 GRAD(Rho)y 0.2229391E-17 GRAD(Rho)z -0.7216721E-16 Laplacian 0.5154010E+00 (-1/4)Del**2(Rho)) -0.1288503E+00 Diamond 0.8824948E+00 Metallicity 0.4540306E+01 Ellipticity 0.4398677E-01 Gb(Abramov) 0.1834034E+00 Vb(Abramov) -0.2379566E+00 Hb(Abramov) -0.5455319E-01 Ex_ueg -0.4933391E-01 Ec_ueg -0.7263227E-02 Delta_ex -0.5349264E-01 Delta_ec 0.1332936E-01 Delta_et -0.1736125E+00 Pxc 0.6792285E+01 Qxc -0.4013145E+01 3,-1 117 3 +1 1.165178 1.298542 -2.189828 Rho 0.2797529E-01 |GRAD(Rho)| 0.3035647E-11 GRAD(Rho)x -0.2243849E-11 GRAD(Rho)y 0.1919471E-11 GRAD(Rho)z 0.7042180E-12 Laplacian 0.1139606E+00 (-1/4)Del**2(Rho)) -0.2849016E-01 Diamond 0.1869893E-01 Metallicity 0.1558892E+01 Ellipticity -0.6609913E+01 Gb(Abramov) 0.2639562E-01 Vb(Abramov) -0.2430108E-01 Hb(Abramov) 0.2094541E-02 Ex_ueg -0.6272170E-02 Ec_ueg -0.1239651E-02 Delta_ex -0.7425929E-02 Delta_ec 0.2150402E-02 Delta_et -0.1947435E-01 Pxc 0.5059625E+01 Qxc -0.3453275E+01 3,+1 118 3 -1 -0.469927 -0.478793 -0.492827 Rho 0.1882350E+00 |GRAD(Rho)| 0.3738480E-15 GRAD(Rho)x -0.2393918E-15 GRAD(Rho)y 0.1353084E-15 GRAD(Rho)z -0.2532696E-15 Laplacian 0.5239546E+00 (-1/4)Del**2(Rho)) -0.1309886E+00 Diamond 0.1419743E+01 Metallicity 0.8131178E+01 Ellipticity 0.2862521E-02 Gb(Abramov) 0.2648411E+00 Vb(Abramov) -0.3986936E+00 Hb(Abramov) -0.1338525E+00 Ex_ueg -0.7967442E-01 Ec_ueg -0.1093458E-01 Delta_ex -0.5973163E-01 Delta_ec 0.1286852E-01 Delta_et -0.1770120E+00 Pxc 0.7286462E+01 Qxc -0.4641685E+01 3,-1 119 3 +1 0.178620 -0.163074 2.881316 Rho 0.5101548E-02 |GRAD(Rho)| 0.7638998E-14 GRAD(Rho)x 0.5492456E-14 GRAD(Rho)y -0.5301416E-14 GRAD(Rho)z 0.2867167E-15 Laplacian 0.2107630E-01 (-1/4)Del**2(Rho)) -0.5269074E-02 Diamond 0.4874066E-03 Metallicity 0.4942980E+00 Ellipticity -0.2577631E+01 Gb(Abramov) 0.3946798E-02 Vb(Abramov) -0.2624522E-02 Hb(Abramov) 0.1322276E-02 Ex_ueg -0.6486161E-03 Ec_ueg -0.1512855E-03 Delta_ex -0.1036096E-02 Delta_ec 0.6353334E-03 Delta_et -0.3482719E-02 Pxc 0.4287366E+01 Qxc -0.1630792E+01 3,+1 120 3 +3 -0.015034 0.010770 -2.330760 Rho 0.4784932E-02 |GRAD(Rho)| 0.1021431E-16 GRAD(Rho)x 0.3460427E-17 GRAD(Rho)y 0.5278260E-17 GRAD(Rho)z 0.8031035E-17 Laplacian 0.1948504E-01 (-1/4)Del**2(Rho)) -0.4871260E-02 Diamond 0.1887993E-03 Metallicity 0.4805126E+00 Ellipticity -0.3334806E+00 Gb(Abramov) 0.3637624E-02 Vb(Abramov) -0.2403988E-02 Hb(Abramov) 0.1233636E-02 Ex_ueg -0.5955060E-03 Ec_ueg -0.1376693E-03 Delta_ex -0.7247852E-03 Delta_ec 0.1925040E-03 Delta_et -0.1202760E-02 Pxc 0.4325626E+01 Qxc -0.3765039E+01 3,+3 121 3 +1 0.525715 -0.537381 -1.667509 Rho 0.9247760E-02 |GRAD(Rho)| 0.1065037E-13 GRAD(Rho)x -0.8709789E-14 GRAD(Rho)y -0.5325313E-15 GRAD(Rho)z 0.6106255E-14 Laplacian 0.3591887E-01 (-1/4)Del**2(Rho)) -0.8979719E-02 Diamond 0.1056821E-02 Metallicity 0.7816602E+00 Ellipticity -0.1476841E+01 Gb(Abramov) 0.7156327E-02 Vb(Abramov) -0.5332936E-02 Hb(Abramov) 0.1823391E-02 Ex_ueg -0.1433619E-02 Ec_ueg -0.3340550E-03 Delta_ex -0.1669632E-02 Delta_ec 0.5021731E-03 Delta_et -0.3499453E-02 Pxc 0.4291566E+01 Qxc -0.3324813E+01 3,+1 122 3 -1 -0.013685 0.032903 2.897468 Rho 0.5145919E-02 |GRAD(Rho)| 0.1283635E-15 GRAD(Rho)x -0.9186164E-16 GRAD(Rho)y 0.8866616E-16 GRAD(Rho)z -0.1330147E-16 Laplacian 0.2060586E-01 (-1/4)Del**2(Rho)) -0.5151466E-02 Diamond 0.5761725E-03 Metallicity 0.5129329E+00 Ellipticity 0.4297999E+01 Gb(Abramov) 0.3874703E-02 Vb(Abramov) -0.2597941E-02 Hb(Abramov) 0.1276763E-02 Ex_ueg -0.6561487E-03 Ec_ueg -0.1531977E-03 Delta_ex -0.1098753E-02 Delta_ec 0.7712281E-03 Delta_et -0.4175434E-02 Pxc 0.4283020E+01 Qxc -0.1424680E+01 3,-1 123 3 -1 -0.482153 0.477382 0.430908 Rho 0.1826036E+00 |GRAD(Rho)| 0.8258004E-13 GRAD(Rho)x 0.4821143E-13 GRAD(Rho)y -0.4927656E-13 GRAD(Rho)z -0.4546363E-13 Laplacian 0.4950836E+00 (-1/4)Del**2(Rho)) -0.1237709E+00 Diamond 0.1300087E+01 Metallicity 0.8180570E+01 Ellipticity 0.1154932E-01 Gb(Abramov) 0.2512667E+00 Vb(Abramov) -0.3787625E+00 Hb(Abramov) -0.1274958E+00 Ex_ueg -0.7651224E-01 Ec_ueg -0.1056236E-01 Delta_ex -0.5606177E-01 Delta_ec 0.1234756E-01 Delta_et -0.1695633E+00 Pxc 0.7243860E+01 Qxc -0.4540310E+01 3,-1 124 3 -1 -0.507698 -1.762934 -1.725504 Rho 0.4344539E-01 |GRAD(Rho)| 0.2765273E-16 GRAD(Rho)x -0.2766092E-17 GRAD(Rho)y 0.1515427E-16 GRAD(Rho)z 0.2296455E-16 Laplacian 0.1827983E+00 (-1/4)Del**2(Rho)) -0.4569958E-01 Diamond 0.7830888E-01 Metallicity 0.2024016E+01 Ellipticity 0.2922725E-01 Gb(Abramov) 0.4588249E-01 Vb(Abramov) -0.4606541E-01 Hb(Abramov) -0.1829173E-03 Ex_ueg -0.1128002E-01 Ec_ueg -0.2055898E-02 Delta_ex -0.1461752E-01 Delta_ec 0.5615328E-02 Delta_et -0.5708503E-01 Pxc 0.5486664E+01 Qxc -0.2603146E+01 3,-1 125 3 +1 1.672021 0.520486 0.528331 Rho 0.8852411E-02 |GRAD(Rho)| 0.3786718E-17 GRAD(Rho)x -0.6470604E-18 GRAD(Rho)y -0.2696576E-18 GRAD(Rho)z -0.3721267E-17 Laplacian 0.3452777E-01 (-1/4)Del**2(Rho)) -0.8631944E-02 Diamond 0.9633562E-03 Metallicity 0.7560441E+00 Ellipticity -0.1460622E+01 Gb(Abramov) 0.6842318E-02 Vb(Abramov) -0.5052691E-02 Hb(Abramov) 0.1789626E-02 Ex_ueg -0.1352489E-02 Ec_ueg -0.3162878E-03 Delta_ex -0.1589919E-02 Delta_ec 0.4875528E-03 Delta_et -0.3355896E-02 Pxc 0.4276135E+01 Qxc -0.3261019E+01 3,+1 126 3 -1 -0.570800 -1.809266 2.765682 Rho 0.1358371E+00 |GRAD(Rho)| 0.6350431E-13 GRAD(Rho)x 0.4073555E-13 GRAD(Rho)y -0.4835138E-13 GRAD(Rho)z -0.5962905E-14 Laplacian 0.5744517E+00 (-1/4)Del**2(Rho)) -0.1436129E+00 Diamond 0.1019403E+01 Metallicity 0.4305832E+01 Ellipticity 0.1540169E-01 Gb(Abramov) 0.1988041E+00 Vb(Abramov) -0.2539953E+00 Hb(Abramov) -0.5519121E-01 Ex_ueg -0.5157149E-01 Ec_ueg -0.7543146E-02 Delta_ex -0.6005570E-01 Delta_ec 0.1464987E-01 Delta_et -0.1916230E+00 Pxc 0.6836867E+01 Qxc -0.4099401E+01 3,-1 127 3 -1 0.516229 -1.727207 1.728730 Rho 0.4345858E-01 |GRAD(Rho)| 0.5316925E-16 GRAD(Rho)x 0.2061318E-16 GRAD(Rho)y 0.2793938E-16 GRAD(Rho)z -0.4026731E-16 Laplacian 0.1837890E+00 (-1/4)Del**2(Rho)) -0.4594726E-01 Diamond 0.7887727E-01 Metallicity 0.2014124E+01 Ellipticity 0.7689491E-02 Gb(Abramov) 0.4605542E-01 Vb(Abramov) -0.4616357E-01 Hb(Abramov) -0.1081563E-03 Ex_ueg -0.1128459E-01 Ec_ueg -0.2056614E-02 Delta_ex -0.1470364E-01 Delta_ec 0.5656094E-02 Delta_et -0.5750587E-01 Pxc 0.5486976E+01 Qxc -0.2599610E+01 3,-1 128 3 -1 -2.774457 -1.776569 0.559327 Rho 0.1428400E+00 |GRAD(Rho)| 0.4070047E-15 GRAD(Rho)x -0.5279387E-16 GRAD(Rho)y 0.1791238E-15 GRAD(Rho)z 0.3616356E-15 Laplacian 0.6053041E+00 (-1/4)Del**2(Rho)) -0.1513260E+00 Diamond 0.1156846E+01 Metallicity 0.4443476E+01 Ellipticity 0.7396766E-02 Gb(Abramov) 0.2129529E+00 Vb(Abramov) -0.2745798E+00 Hb(Abramov) -0.6162690E-01 Ex_ueg -0.5514654E-01 Ec_ueg -0.7986760E-02 Delta_ex -0.6423158E-01 Delta_ec 0.1554788E-01 Delta_et -0.2055352E+00 Pxc 0.6904745E+01 Qxc -0.4131212E+01 3,-1 129 3 -1 -0.519249 2.774545 -1.806658 Rho 0.1055941E+00 |GRAD(Rho)| 0.2374078E-13 GRAD(Rho)x 0.1470590E-13 GRAD(Rho)y -0.2523933E-14 GRAD(Rho)z -0.1846594E-13 Laplacian 0.4344705E+00 (-1/4)Del**2(Rho)) -0.1086176E+00 Diamond 0.5752613E+00 Metallicity 0.3741556E+01 Ellipticity 0.1358749E-01 Gb(Abramov) 0.1401449E+00 Vb(Abramov) -0.1716722E+00 Hb(Abramov) -0.3152728E-01 Ex_ueg -0.3686135E-01 Ec_ueg -0.5665150E-02 Delta_ex -0.4285446E-01 Delta_ec 0.1191960E-01 Delta_et -0.1495800E+00 Pxc 0.6506685E+01 Qxc -0.3595292E+01 3,-1 130 3 -1 -0.023972 2.905509 0.068136 Rho 0.5686686E-02 |GRAD(Rho)| 0.1258323E-16 GRAD(Rho)x 0.7206675E-17 GRAD(Rho)y -0.1443802E-17 GRAD(Rho)z 0.1021357E-16 Laplacian 0.2306875E-01 (-1/4)Del**2(Rho)) -0.5767188E-02 Diamond 0.7478951E-03 Metallicity 0.5411959E+00 Ellipticity 0.2254313E+01 Gb(Abramov) 0.4364989E-02 Vb(Abramov) -0.2962789E-02 Hb(Abramov) 0.1402200E-02 Ex_ueg -0.7496596E-03 Ec_ueg -0.1765824E-03 Delta_ex -0.1260767E-02 Delta_ec 0.8776311E-03 Delta_et -0.4893691E-02 Pxc 0.4245382E+01 Qxc -0.1436557E+01 3,-1 131 3 -1 0.566104 2.785923 1.815323 Rho 0.1317215E+00 |GRAD(Rho)| 0.7844552E-12 GRAD(Rho)x 0.5177688E-12 GRAD(Rho)y 0.1440102E-12 GRAD(Rho)z -0.5714425E-12 Laplacian 0.5554439E+00 (-1/4)Del**2(Rho)) -0.1388610E+00 Diamond 0.9483302E+00 Metallicity 0.4230587E+01 Ellipticity 0.1546076E-01 Gb(Abramov) 0.1904845E+00 Vb(Abramov) -0.2421081E+00 Hb(Abramov) -0.5162357E-01 Ex_ueg -0.4949870E-01 Ec_ueg -0.7283905E-02 Delta_ex -0.5761733E-01 Delta_ec 0.1423806E-01 Delta_et -0.1852936E+00 Pxc 0.6795627E+01 Qxc -0.4046712E+01 3,-1 132 3 -1 -0.032997 3.199698 -3.212607 Rho 0.2446118E+00 |GRAD(Rho)| 0.6487396E-15 GRAD(Rho)x -0.3017877E-15 GRAD(Rho)y 0.5354875E-15 GRAD(Rho)z -0.2074621E-15 Laplacian 0.8718334E+00 (-1/4)Del**2(Rho)) -0.2179583E+00 Diamond 0.3169815E+01 Metallicity 0.7562094E+01 Ellipticity 0.3080979E-02 Gb(Abramov) 0.4200091E+00 Vb(Abramov) -0.6220599E+00 Hb(Abramov) -0.2020508E+00 Ex_ueg -0.1129852E+00 Ec_ueg -0.1475850E-01 Delta_ex -0.1059382E+00 Delta_ec 0.1928897E-01 Delta_et -0.2679716E+00 Pxc 0.7655605E+01 Qxc -0.5492163E+01 3,-1 133 3 -1 0.058639 3.236873 3.189506 Rho 0.2456185E+00 |GRAD(Rho)| 0.3730690E-10 GRAD(Rho)x 0.6857975E-11 GRAD(Rho)y 0.2615042E-10 GRAD(Rho)z 0.2570853E-10 Laplacian 0.8667479E+00 (-1/4)Del**2(Rho)) -0.2166870E+00 Diamond 0.3179350E+01 Metallicity 0.7658706E+01 Ellipticity 0.1342039E-02 Gb(Abramov) 0.4210483E+00 Vb(Abramov) -0.6254096E+00 Hb(Abramov) -0.2043613E+00 Ex_ueg -0.1136056E+00 Ec_ueg -0.1482837E-01 Delta_ex -0.1054975E+00 Delta_ec 0.1926730E-01 Delta_et -0.2682213E+00 Pxc 0.7661370E+01 Qxc -0.5475467E+01 3,-1 134 3 +1 2.883530 -0.189639 0.172587 Rho 0.5234460E-02 |GRAD(Rho)| 0.8618390E-16 GRAD(Rho)x 0.1911652E-16 GRAD(Rho)y 0.5805320E-16 GRAD(Rho)z -0.6076224E-16 Laplacian 0.2164017E-01 (-1/4)Del**2(Rho)) -0.5410042E-02 Diamond 0.4995479E-03 Metallicity 0.5025034E+00 Ellipticity -0.2290793E+01 Gb(Abramov) 0.4059789E-02 Vb(Abramov) -0.2709536E-02 Hb(Abramov) 0.1350253E-02 Ex_ueg -0.6712448E-03 Ec_ueg -0.1570165E-03 Delta_ex -0.1053044E-02 Delta_ec 0.6234579E-03 Delta_et -0.3456111E-02 Pxc 0.4274995E+01 Qxc -0.1689038E+01 3,+1 135 3 -1 1.717836 -0.517283 1.750268 Rho 0.4199091E-01 |GRAD(Rho)| 0.1642415E-15 GRAD(Rho)x 0.3079028E-16 GRAD(Rho)y 0.1499301E-16 GRAD(Rho)z 0.1606313E-15 Laplacian 0.1770836E+00 (-1/4)Del**2(Rho)) -0.4427090E-01 Diamond 0.7252596E-01 Metallicity 0.1974059E+01 Ellipticity 0.1421189E-01 Gb(Abramov) 0.4407950E-01 Vb(Abramov) -0.4388810E-01 Hb(Abramov) 0.1914018E-03 Ex_ueg -0.1077934E-01 Ec_ueg -0.1977195E-02 Delta_ex -0.1404699E-01 Delta_ec 0.5450312E-02 Delta_et -0.5490323E-01 Pxc 0.5451833E+01 Qxc -0.2577282E+01 3,-1 136 3 -1 0.466520 -0.469659 0.459193 Rho 0.1895788E+00 |GRAD(Rho)| 0.5822721E-14 GRAD(Rho)x -0.3882311E-14 GRAD(Rho)y 0.3164136E-14 GRAD(Rho)z -0.2969847E-14 Laplacian 0.5261675E+00 (-1/4)Del**2(Rho)) -0.1315419E+00 Diamond 0.1435846E+01 Metallicity 0.8193550E+01 Ellipticity 0.5519040E-03 Gb(Abramov) 0.2673271E+00 Vb(Abramov) -0.4031123E+00 Hb(Abramov) -0.1357852E+00 Ex_ueg -0.8043371E-01 Ec_ueg -0.1102367E-01 Delta_ex -0.6007602E-01 Delta_ec 0.1287090E-01 Delta_et -0.1770887E+00 Pxc 0.7296453E+01 Qxc -0.4667585E+01 3,-1 137 3 -1 -0.005805 0.027622 -2.881384 Rho 0.5414155E-02 |GRAD(Rho)| 0.1043500E-12 GRAD(Rho)x -0.1004056E-12 GRAD(Rho)y 0.1805120E-13 GRAD(Rho)z 0.2194980E-13 Laplacian 0.2159858E-01 (-1/4)Del**2(Rho)) -0.5399644E-02 Diamond 0.6481359E-03 Metallicity 0.5326057E+00 Ellipticity 0.2206695E+01 Gb(Abramov) 0.4079076E-02 Vb(Abramov) -0.2758509E-02 Hb(Abramov) 0.1320568E-02 Ex_ueg -0.7021436E-03 Ec_ueg -0.1647789E-03 Delta_ex -0.1163703E-02 Delta_ec 0.8106877E-03 Delta_et -0.4456830E-02 Pxc 0.4261126E+01 Qxc -0.1435452E+01 3,-1 138 3 -1 1.741218 1.711821 -0.539089 Rho 0.4778514E-01 |GRAD(Rho)| 0.1312578E-15 GRAD(Rho)x 0.1041042E-15 GRAD(Rho)y 0.6811924E-16 GRAD(Rho)z 0.4184152E-16 Laplacian 0.1952228E+00 (-1/4)Del**2(Rho)) -0.4880569E-01 Diamond 0.9201311E-01 Metallicity 0.2221114E+01 Ellipticity 0.1237658E-01 Gb(Abramov) 0.5060429E-01 Vb(Abramov) -0.5240290E-01 Hb(Abramov) -0.1798602E-02 Ex_ueg -0.1280685E-01 Ec_ueg -0.2292815E-02 Delta_ex -0.1583972E-01 Delta_ec 0.5733897E-02 Delta_et -0.5972827E-01 Pxc 0.5585643E+01 Qxc -0.2762471E+01 3,-1 139 3 -1 0.566288 1.726559 -1.757409 Rho 0.4353860E-01 |GRAD(Rho)| 0.1053397E-15 GRAD(Rho)x -0.1818040E-16 GRAD(Rho)y 0.7724348E-16 GRAD(Rho)z -0.6927755E-16 Laplacian 0.1854735E+00 (-1/4)Del**2(Rho)) -0.4636839E-01 Diamond 0.7960389E-01 Metallicity 0.2001959E+01 Ellipticity 0.1183562E-01 Gb(Abramov) 0.4638353E-01 Vb(Abramov) -0.4639867E-01 Hb(Abramov) -0.1514127E-04 Ex_ueg -0.1131230E-01 Ec_ueg -0.2060954E-02 Delta_ex -0.1483503E-01 Delta_ec 0.5689766E-02 Delta_et -0.5787376E-01 Pxc 0.5488866E+01 Qxc -0.2607318E+01 3,-1 140 3 -1 0.562240 1.839073 2.783554 Rho 0.1227969E+00 |GRAD(Rho)| 0.2706698E-13 GRAD(Rho)x -0.2038217E-13 GRAD(Rho)y 0.1528849E-13 GRAD(Rho)z -0.9135132E-14 Laplacian 0.5118475E+00 (-1/4)Del**2(Rho)) -0.1279619E+00 Diamond 0.8082658E+00 Metallicity 0.4084305E+01 Ellipticity 0.5714030E-02 Gb(Abramov) 0.1724138E+00 Vb(Abramov) -0.2168657E+00 Hb(Abramov) -0.4445193E-01 Ex_ueg -0.4507837E-01 Ec_ueg -0.6725611E-02 Delta_ex -0.5226842E-01 Delta_ec 0.1345987E-01 Delta_et -0.1734005E+00 Pxc 0.6702494E+01 Qxc -0.3883278E+01 3,-1 141 3 -1 0.879569 1.991899 -3.022870 Rho 0.1465741E+00 |GRAD(Rho)| 0.3024596E-15 GRAD(Rho)x -0.2002115E-15 GRAD(Rho)y 0.3808260E-16 GRAD(Rho)z 0.2234879E-15 Laplacian 0.5721116E+00 (-1/4)Del**2(Rho)) -0.1430279E+00 Diamond 0.1118967E+01 Metallicity 0.4907886E+01 Ellipticity 0.6042410E-01 Gb(Abramov) 0.2123461E+00 Vb(Abramov) -0.2816642E+00 Hb(Abramov) -0.6931815E-01 Ex_ueg -0.5707704E-01 Ec_ueg -0.8224570E-02 Delta_ex -0.6100275E-01 Delta_ec 0.1443975E-01 Delta_et -0.1912407E+00 Pxc 0.6939820E+01 Qxc -0.4224641E+01 3,-1 142 3 +1 1.752548 1.735198 1.754331 Rho 0.1213139E-01 |GRAD(Rho)| 0.4802135E-16 GRAD(Rho)x -0.3537493E-16 GRAD(Rho)y 0.1800181E-16 GRAD(Rho)z 0.2702960E-16 Laplacian 0.6138900E-01 (-1/4)Del**2(Rho)) -0.1534725E-01 Diamond 0.2506031E-02 Metallicity 0.7189640E+00 Ellipticity -0.1248545E+01 Gb(Abramov) 0.1207052E-01 Vb(Abramov) -0.8793790E-02 Hb(Abramov) 0.3276730E-02 Ex_ueg -0.2058730E-02 Ec_ueg -0.4656380E-03 Delta_ex -0.3028829E-02 Delta_ec 0.8014801E-03 Delta_et -0.6022232E-02 Pxc 0.4421309E+01 Qxc -0.3779045E+01 3,+1 143 3 +1 1.727244 -1.758275 -1.754913 Rho 0.1223865E-01 |GRAD(Rho)| 0.1614212E-15 GRAD(Rho)x -0.3164708E-16 GRAD(Rho)y 0.9636485E-16 GRAD(Rho)z -0.1255750E-15 Laplacian 0.6171668E-01 (-1/4)Del**2(Rho)) -0.1542917E-01 Diamond 0.2535347E-02 Metallicity 0.7257152E+00 Ellipticity -0.1250519E+01 Gb(Abramov) 0.1215231E-01 Vb(Abramov) -0.8875451E-02 Hb(Abramov) 0.3276860E-02 Ex_ueg -0.2083033E-02 Ec_ueg -0.4705969E-03 Delta_ex -0.3047950E-02 Delta_ec 0.7983901E-03 Delta_et -0.6017518E-02 Pxc 0.4426364E+01 Qxc -0.3817620E+01 3,+1 144 3 +1 1.086835 -2.165676 1.355917 Rho 0.2748511E-01 |GRAD(Rho)| 0.2806071E-14 GRAD(Rho)x -0.1234913E-14 GRAD(Rho)y -0.1455712E-14 GRAD(Rho)z 0.2056679E-14 Laplacian 0.1109637E+00 (-1/4)Del**2(Rho)) -0.2774092E-01 Diamond 0.1672637E-01 Metallicity 0.1554515E+01 Ellipticity -0.3937372E+01 Gb(Abramov) 0.2568123E-01 Vb(Abramov) -0.2362153E-01 Hb(Abramov) 0.2059695E-02 Ex_ueg -0.6126068E-02 Ec_ueg -0.1214632E-02 Delta_ex -0.7097020E-02 Delta_ec 0.1915492E-02 Delta_et -0.1729652E-01 Pxc 0.5043560E+01 Qxc -0.3705063E+01 3,+1 145 3 -1 0.842870 -2.004845 2.978994 Rho 0.1299228E+00 |GRAD(Rho)| 0.1410963E-15 GRAD(Rho)x 0.1263638E-15 GRAD(Rho)y -0.4722378E-16 GRAD(Rho)z 0.4135554E-16 Laplacian 0.5055923E+00 (-1/4)Del**2(Rho)) -0.1263981E+00 Diamond 0.8575299E+00 Metallicity 0.4542431E+01 Ellipticity 0.4512874E-01 Gb(Abramov) 0.1799578E+00 Vb(Abramov) -0.2335175E+00 Hb(Abramov) -0.5355972E-01 Ex_ueg -0.4859954E-01 Ec_ueg -0.7170957E-02 Delta_ex -0.5237365E-01 Delta_ec 0.1318547E-01 Delta_et -0.1715723E+00 Pxc 0.6777274E+01 Qxc -0.3972073E+01 3,-1 146 3 -1 0.566962 -1.828654 -2.760665 Rho 0.1293204E+00 |GRAD(Rho)| 0.2340659E-15 GRAD(Rho)x 0.1711074E-15 GRAD(Rho)y -0.2012550E-16 GRAD(Rho)z -0.1584426E-15 Laplacian 0.5395299E+00 (-1/4)Del**2(Rho)) -0.1348825E+00 Diamond 0.9024418E+00 Metallicity 0.4223860E+01 Ellipticity 0.3141564E-02 Gb(Abramov) 0.1848758E+00 Vb(Abramov) -0.2348691E+00 Hb(Abramov) -0.4999330E-01 Ex_ueg -0.4829935E-01 Ec_ueg -0.7133179E-02 Delta_ex -0.5573484E-01 Delta_ec 0.1392248E-01 Delta_et -0.1807218E+00 Pxc 0.6771082E+01 Qxc -0.4003227E+01 3,-1 147 3 -1 0.876373 2.983651 -2.008140 Rho 0.1365040E+00 |GRAD(Rho)| 0.7799263E-12 GRAD(Rho)x 0.5475166E-12 GRAD(Rho)y 0.3270900E-12 GRAD(Rho)z 0.4489129E-12 Laplacian 0.5334345E+00 (-1/4)Del**2(Rho)) -0.1333586E+00 Diamond 0.9577906E+00 Metallicity 0.4674920E+01 Ellipticity 0.4941462E-01 Gb(Abramov) 0.1928126E+00 Vb(Abramov) -0.2522665E+00 Hb(Abramov) -0.5945395E-01 Ex_ueg -0.5190933E-01 Ec_ueg -0.7585254E-02 Delta_ex -0.5589729E-01 Delta_ec 0.1370031E-01 Delta_et -0.1795656E+00 Pxc 0.6843453E+01 Qxc -0.4080000E+01 3,-1 148 3 -1 0.837765 -2.988682 1.982444 Rho 0.1243223E+00 |GRAD(Rho)| 0.1011099E-13 GRAD(Rho)x -0.1429080E-14 GRAD(Rho)y -0.8628921E-14 GRAD(Rho)z 0.5072630E-14 Laplacian 0.4877668E+00 (-1/4)Del**2(Rho)) -0.1219417E+00 Diamond 0.7837571E+00 Metallicity 0.4375045E+01 Ellipticity 0.3884939E-01 Gb(Abramov) 0.1702112E+00 Vb(Abramov) -0.2184807E+00 Hb(Abramov) -0.4826951E-01 Ex_ueg -0.4582653E-01 Ec_ueg -0.6820654E-02 Delta_ex -0.4998284E-01 Delta_ec 0.1283491E-01 Delta_et -0.1657720E+00 Pxc 0.6718789E+01 Qxc -0.3894287E+01 3,-1 149 3 -1 2.882472 0.046960 -0.070100 Rho 0.5307334E-02 |GRAD(Rho)| 0.4153731E-12 GRAD(Rho)x 0.4246545E-13 GRAD(Rho)y 0.4121918E-12 GRAD(Rho)z 0.2879889E-13 Laplacian 0.2135677E-01 (-1/4)Del**2(Rho)) -0.5339194E-02 Diamond 0.6011034E-03 Metallicity 0.5210406E+00 Ellipticity 0.6865531E+01 Gb(Abramov) 0.4023118E-02 Vb(Abramov) -0.2707043E-02 Hb(Abramov) 0.1316075E-02 Ex_ueg -0.6837337E-03 Ec_ueg -0.1601625E-03 Delta_ex -0.1126900E-02 Delta_ec 0.7666283E-03 Delta_et -0.4200860E-02 Pxc 0.4268999E+01 Qxc -0.1469943E+01 3,-1 150 3 +1 1.122813 2.159042 -1.358497 Rho 0.2839561E-01 |GRAD(Rho)| 0.1203587E-15 GRAD(Rho)x 0.2277365E-16 GRAD(Rho)y 0.1140437E-15 GRAD(Rho)z -0.3100981E-16 Laplacian 0.1157763E+00 (-1/4)Del**2(Rho)) -0.2894406E-01 Diamond 0.1879797E-01 Metallicity 0.1573061E+01 Ellipticity -0.4952127E+01 Gb(Abramov) 0.2688451E-01 Vb(Abramov) -0.2482495E-01 Hb(Abramov) 0.2059559E-02 Ex_ueg -0.6398132E-02 Ec_ueg -0.1261151E-02 Delta_ex -0.7519796E-02 Delta_ec 0.2087739E-02 Delta_et -0.1898897E-01 Pxc 0.5073247E+01 Qxc -0.3601886E+01 3,+1 151 3 -1 1.739166 -1.720962 0.558033 Rho 0.4542889E-01 |GRAD(Rho)| 0.7689462E-16 GRAD(Rho)x 0.4048394E-17 GRAD(Rho)y -0.6918015E-16 GRAD(Rho)z -0.3332418E-16 Laplacian 0.1842300E+00 (-1/4)Del**2(Rho)) -0.4605750E-01 Diamond 0.8081888E-01 Metallicity 0.2163415E+01 Ellipticity 0.1370652E-01 Gb(Abramov) 0.4731191E-01 Vb(Abramov) -0.4856632E-01 Hb(Abramov) -0.1254411E-02 Ex_ueg -0.1197185E-01 Ec_ueg -0.2163803E-02 Delta_ex -0.1474719E-01 Delta_ec 0.5391779E-02 Delta_et -0.5541836E-01 Pxc 0.5532782E+01 Qxc -0.2735125E+01 3,-1 152 3 +3 2.338964 -0.026025 0.010893 Rho 0.4699924E-02 |GRAD(Rho)| 0.7132132E-12 GRAD(Rho)x -0.4211401E-12 GRAD(Rho)y 0.4466590E-12 GRAD(Rho)z -0.3630563E-12 Laplacian 0.1914792E-01 (-1/4)Del**2(Rho)) -0.4786980E-02 Diamond 0.1817599E-03 Metallicity 0.4745801E+00 Ellipticity -0.3257630E+00 Gb(Abramov) 0.3569955E-02 Vb(Abramov) -0.2352929E-02 Hb(Abramov) 0.1217026E-02 Ex_ueg -0.5814416E-03 Ec_ueg -0.1340222E-03 Delta_ex -0.7097045E-03 Delta_ec 0.1904089E-03 Delta_et -0.1182876E-02 Pxc 0.4338397E+01 Qxc -0.3727266E+01 3,+3 153 3 +1 2.166045 -1.061760 1.394146 Rho 0.2671734E-01 |GRAD(Rho)| 0.3065130E-16 GRAD(Rho)x 0.1879134E-16 GRAD(Rho)y -0.2419894E-16 GRAD(Rho)z -0.8936040E-18 Laplacian 0.1065778E+00 (-1/4)Del**2(Rho)) -0.2664444E-01 Diamond 0.1480312E-01 Metallicity 0.1543839E+01 Ellipticity -0.3177945E+01 Gb(Abramov) 0.2461875E-01 Vb(Abramov) -0.2259305E-01 Hb(Abramov) 0.2025693E-02 Ex_ueg -0.5898968E-02 Ec_ueg -0.1175562E-02 Delta_ex -0.6700629E-02 Delta_ec 0.1724880E-02 Delta_et -0.1548925E-01 Pxc 0.5017996E+01 Qxc -0.3884693E+01 3,+1 154 3 +1 1.304371 -1.145455 2.168215 Rho 0.2754878E-01 |GRAD(Rho)| 0.2082054E-14 GRAD(Rho)x -0.1377690E-14 GRAD(Rho)y -0.4485560E-15 GRAD(Rho)z 0.1495231E-14 Laplacian 0.1134685E+00 (-1/4)Del**2(Rho)) -0.2836712E-01 Diamond 0.1918224E-01 Metallicity 0.1526072E+01 Ellipticity -0.1438897E+02 Gb(Abramov) 0.2612646E-01 Vb(Abramov) -0.2388580E-01 Hb(Abramov) 0.2240662E-02 Ex_ueg -0.6144994E-02 Ec_ueg -0.1217878E-02 Delta_ex -0.7454825E-02 Delta_ec 0.2303496E-02 Delta_et -0.2075768E-01 Pxc 0.5045657E+01 Qxc -0.3236310E+01 3,+1 155 3 -1 1.998610 2.977192 -0.853014 Rho 0.1372851E+00 |GRAD(Rho)| 0.6165831E-15 GRAD(Rho)x 0.1625084E-15 GRAD(Rho)y -0.2799478E-15 GRAD(Rho)z 0.5247810E-15 Laplacian 0.5401584E+00 (-1/4)Del**2(Rho)) -0.1350396E+00 Diamond 0.9895026E+00 Metallicity 0.4660842E+01 Ellipticity 0.3220438E-01 Gb(Abramov) 0.1949261E+00 Vb(Abramov) -0.2548126E+00 Hb(Abramov) -0.5988652E-01 Ex_ueg -0.5230578E-01 Ec_ueg -0.7634615E-02 Delta_ex -0.5682590E-01 Delta_ec 0.1411330E-01 Delta_et -0.1856698E+00 Pxc 0.6851135E+01 Qxc -0.4026408E+01 3,-1 156 3 -1 1.818384 2.760132 0.564392 Rho 0.1401350E+00 |GRAD(Rho)| 0.4433301E-13 GRAD(Rho)x -0.3017519E-13 GRAD(Rho)y -0.3202647E-13 GRAD(Rho)z -0.5401739E-14 Laplacian 0.5892083E+00 (-1/4)Del**2(Rho)) -0.1473021E+00 Diamond 0.1101983E+01 Metallicity 0.4421693E+01 Ellipticity 0.1010665E-01 Gb(Abramov) 0.2067555E+00 Vb(Abramov) -0.2662088E+00 Hb(Abramov) -0.5945339E-01 Ex_ueg -0.5375849E-01 Ec_ueg -0.7815032E-02 Delta_ex -0.6224871E-01 Delta_ec 0.1523385E-01 Delta_et -0.2008707E+00 Pxc 0.6878858E+01 Qxc -0.4086210E+01 3,-1 157 3 -1 1.989364 -0.851509 2.998998 Rho 0.1345220E+00 |GRAD(Rho)| 0.3828324E-15 GRAD(Rho)x 0.5666312E-16 GRAD(Rho)y -0.3784408E-15 GRAD(Rho)z 0.1151287E-16 Laplacian 0.5236707E+00 (-1/4)Del**2(Rho)) -0.1309177E+00 Diamond 0.9250310E+00 Metallicity 0.4647403E+01 Ellipticity 0.5119904E-01 Gb(Abramov) 0.1886830E+00 Vb(Abramov) -0.2464483E+00 Hb(Abramov) -0.5776530E-01 Ex_ueg -0.5090683E-01 Ec_ueg -0.7460186E-02 Delta_ex -0.5469269E-01 Delta_ec 0.1352101E-01 Delta_et -0.1768651E+00 Pxc 0.6823801E+01 Qxc -0.4045016E+01 3,-1 158 3 -1 1.789558 -0.570914 -2.776637 Rho 0.1429662E+00 |GRAD(Rho)| 0.3632842E-15 GRAD(Rho)x -0.3510918E-15 GRAD(Rho)y -0.9204876E-16 GRAD(Rho)z -0.1539567E-16 Laplacian 0.5977144E+00 (-1/4)Del**2(Rho)) -0.1494286E+00 Diamond 0.1140920E+01 Metallicity 0.4506526E+01 Ellipticity 0.1038559E-01 Gb(Abramov) 0.2118531E+00 Vb(Abramov) -0.2742775E+00 Hb(Abramov) -0.6242446E-01 Ex_ueg -0.5521152E-01 Ec_ueg -0.7994783E-02 Delta_ex -0.6341192E-01 Delta_ec 0.1529967E-01 Delta_et -0.2021731E+00 Pxc 0.6905943E+01 Qxc -0.4144659E+01 3,-1 159 3 -1 1.993046 0.839498 -3.003303 Rho 0.1289439E+00 |GRAD(Rho)| 0.9730533E-15 GRAD(Rho)x 0.6417325E-15 GRAD(Rho)y -0.6684920E-15 GRAD(Rho)z 0.2968681E-15 Laplacian 0.5078777E+00 (-1/4)Del**2(Rho)) -0.1269694E+00 Diamond 0.8643509E+00 Metallicity 0.4465351E+01 Ellipticity 0.2432005E-01 Gb(Abramov) 0.1791401E+00 Vb(Abramov) -0.2313108E+00 Hb(Abramov) -0.5217071E-01 Ex_ueg -0.4811196E-01 Ec_ueg -0.7109580E-02 Delta_ex -0.5264531E-01 Delta_ec 0.1350270E-01 Delta_et -0.1759191E+00 Pxc 0.6767201E+01 Qxc -0.3898873E+01 3,-1 160 3 -1 1.734675 0.514517 -1.731802 Rho 0.4874419E-01 |GRAD(Rho)| 0.1432822E-15 GRAD(Rho)x 0.1426276E-16 GRAD(Rho)y 0.1166176E-15 GRAD(Rho)z 0.8201651E-16 Laplacian 0.1991109E+00 (-1/4)Del**2(Rho)) -0.4977772E-01 Diamond 0.9655036E-01 Metallicity 0.2251073E+01 Ellipticity 0.1648654E-01 Gb(Abramov) 0.5186070E-01 Vb(Abramov) -0.5394367E-01 Hb(Abramov) -0.2082973E-02 Ex_ueg -0.1315070E-01 Ec_ueg -0.2345576E-02 Delta_ex -0.1624225E-01 Delta_ec 0.5857922E-02 Delta_et -0.6134093E-01 Pxc 0.5606598E+01 Qxc -0.2772698E+01 3,-1 161 3 -1 1.808883 0.579701 2.799526 Rho 0.1434275E+00 |GRAD(Rho)| 0.4022458E-12 GRAD(Rho)x 0.2996309E-12 GRAD(Rho)y -0.2656619E-12 GRAD(Rho)z -0.3803656E-13 Laplacian 0.6033762E+00 (-1/4)Del**2(Rho)) -0.1508440E+00 Diamond 0.1140599E+01 Metallicity 0.4488271E+01 Ellipticity 0.2379457E-01 Gb(Abramov) 0.2134009E+00 Vb(Abramov) -0.2759577E+00 Hb(Abramov) -0.6255681E-01 Ex_ueg -0.5544916E-01 Ec_ueg -0.8024116E-02 Delta_ex -0.6389811E-01 Delta_ec 0.1513798E-01 Delta_et -0.1994929E+00 Pxc 0.6910314E+01 Qxc -0.4221045E+01 3,-1 162 3 -1 1.835193 -2.785975 -0.535950 Rho 0.1220718E+00 |GRAD(Rho)| 0.4196124E-15 GRAD(Rho)x 0.3470938E-15 GRAD(Rho)y 0.9039536E-17 GRAD(Rho)z 0.2356242E-15 Laplacian 0.5134922E+00 (-1/4)Del**2(Rho)) -0.1283730E+00 Diamond 0.8179891E+00 Metallicity 0.4031236E+01 Ellipticity 0.1684797E-01 Gb(Abramov) 0.1718324E+00 Vb(Abramov) -0.2152917E+00 Hb(Abramov) -0.4345933E-01 Ex_ueg -0.4472382E-01 Ec_ueg -0.6680489E-02 Delta_ex -0.5253080E-01 Delta_ec 0.1382348E-01 Delta_et -0.1784230E+00 Pxc 0.6694692E+01 Qxc -0.3800114E+01 3,-1 163 3 -1 2.003594 -2.995272 0.872168 Rho 0.1511343E+00 |GRAD(Rho)| 0.3341218E-15 GRAD(Rho)x 0.2484720E-15 GRAD(Rho)y 0.1775517E-15 GRAD(Rho)z -0.1355524E-15 Laplacian 0.5939583E+00 (-1/4)Del**2(Rho)) -0.1484896E+00 Diamond 0.1220715E+01 Metallicity 0.4975028E+01 Ellipticity 0.4099866E-01 Gb(Abramov) 0.2221163E+00 Vb(Abramov) -0.2957431E+00 Hb(Abramov) -0.7362677E-01 Ex_ueg -0.5945692E-01 Ec_ueg -0.8516164E-02 Delta_ex -0.6396415E-01 Delta_ec 0.1514961E-01 Delta_et -0.2021330E+00 Pxc 0.6981655E+01 Qxc -0.4222164E+01 3,-1 164 3 +1 2.877872 0.102939 -0.126765 Rho 0.5305900E-02 |GRAD(Rho)| 0.4169184E-16 GRAD(Rho)x 0.5342204E-17 GRAD(Rho)y 0.2750392E-17 GRAD(Rho)z 0.4125658E-16 Laplacian 0.2156864E-01 (-1/4)Del**2(Rho)) -0.5392160E-02 Diamond 0.5678246E-03 Metallicity 0.5156901E+00 Ellipticity -0.7083837E+01 Gb(Abramov) 0.4058221E-02 Vb(Abramov) -0.2724281E-02 Hb(Abramov) 0.1333940E-02 Ex_ueg -0.6834873E-03 Ec_ueg -0.1601006E-03 Delta_ex -0.1104546E-02 Delta_ec 0.7144654E-03 Delta_et -0.3935753E-02 Pxc 0.4269112E+01 Qxc -0.1545976E+01 3,+1 165 3 -1 2.769695 -0.589303 -1.807883 Rho 0.1482476E+00 |GRAD(Rho)| 0.4375189E-15 GRAD(Rho)x -0.1095654E-15 GRAD(Rho)y 0.2699663E-15 GRAD(Rho)z -0.3263991E-15 Laplacian 0.6276015E+00 (-1/4)Del**2(Rho)) -0.1569004E+00 Diamond 0.1254523E+01 Metallicity 0.4559408E+01 Ellipticity 0.8687038E-02 Gb(Abramov) 0.2238291E+00 Vb(Abramov) -0.2907577E+00 Hb(Abramov) -0.6692868E-01 Ex_ueg -0.5794756E-01 Ec_ueg -0.8331428E-02 Delta_ex -0.6720943E-01 Delta_ec 0.1597946E-01 Delta_et -0.2123893E+00 Pxc 0.6955298E+01 Qxc -0.4205988E+01 3,-1 166 3 -1 2.983346 -0.837172 2.013350 Rho 0.1169806E+00 |GRAD(Rho)| 0.6052218E-14 GRAD(Rho)x -0.2591213E-14 GRAD(Rho)y 0.4245377E-14 GRAD(Rho)z 0.3448441E-14 Laplacian 0.4592678E+00 (-1/4)Del**2(Rho)) -0.1148169E+00 Diamond 0.6862619E+00 Metallicity 0.4198268E+01 Ellipticity 0.2875603E-01 Gb(Abramov) 0.1568833E+00 Vb(Abramov) -0.1989498E+00 Hb(Abramov) -0.4206641E-01 Ex_ueg -0.4225422E-01 Ec_ueg -0.6364691E-02 Delta_ex -0.4638767E-01 Delta_ec 0.1226834E-01 Delta_et -0.1568216E+00 Pxc 0.6638849E+01 Qxc -0.3781087E+01 3,-1 167 3 -1 3.235308 -3.198001 -0.012680 Rho 0.2549982E+00 |GRAD(Rho)| 0.5142195E-10 GRAD(Rho)x 0.3563995E-10 GRAD(Rho)y -0.3575714E-10 GRAD(Rho)z -0.9769205E-11 Laplacian 0.9247736E+00 (-1/4)Del**2(Rho)) -0.2311934E+00 Diamond 0.3506334E+01 Metallicity 0.7640812E+01 Ellipticity 0.1072025E-02 Gb(Abramov) 0.4485465E+00 Vb(Abramov) -0.6658996E+00 Hb(Abramov) -0.2173531E+00 Ex_ueg -0.1194266E+00 Ec_ueg -0.1548205E-01 Delta_ex -0.1134620E+00 Delta_ec 0.1995497E-01 Delta_et -0.2763423E+00 Pxc 0.7713877E+01 Qxc -0.5685903E+01 3,-1 168 3 -1 2.987879 0.835918 -1.999542 Rho 0.1425834E+00 |GRAD(Rho)| 0.1002818E-13 GRAD(Rho)x 0.8438617E-15 GRAD(Rho)y -0.6767373E-14 GRAD(Rho)z -0.7352205E-14 Laplacian 0.5624053E+00 (-1/4)Del**2(Rho)) -0.1406013E+00 Diamond 0.1075622E+01 Metallicity 0.4768103E+01 Ellipticity 0.3733050E-01 Gb(Abramov) 0.2054678E+00 Vb(Abramov) -0.2703343E+00 Hb(Abramov) -0.6486649E-01 Ex_ueg -0.5501451E-01 Ec_ueg -0.7970451E-02 Delta_ex -0.5968605E-01 Delta_ec 0.1451098E-01 Delta_et -0.1919027E+00 Pxc 0.6902307E+01 Qxc -0.4113163E+01 3,-1 169 3 -1 2.768899 0.561113 1.825182 Rho 0.1255127E+00 |GRAD(Rho)| 0.1573548E-13 GRAD(Rho)x 0.3822822E-14 GRAD(Rho)y -0.1526376E-13 GRAD(Rho)z 0.9485414E-16 Laplacian 0.5262327E+00 (-1/4)Del**2(Rho)) -0.1315582E+00 Diamond 0.8510389E+00 Metallicity 0.4120167E+01 Ellipticity 0.2732045E-02 Gb(Abramov) 0.1780457E+00 Vb(Abramov) -0.2245333E+00 Hb(Abramov) -0.4648756E-01 Ex_ueg -0.4641254E-01 Ec_ueg -0.6894937E-02 Delta_ex -0.5399425E-01 Delta_ec 0.1371957E-01 Delta_et -0.1773079E+00 Pxc 0.6731395E+01 Qxc -0.3935563E+01 3,-1 170 3 -1 2.785675 1.787721 0.561086 Rho 0.1471963E+00 |GRAD(Rho)| 0.1502819E-15 GRAD(Rho)x 0.1115915E-15 GRAD(Rho)y 0.8519119E-16 GRAD(Rho)z 0.5361380E-16 Laplacian 0.6177900E+00 (-1/4)Del**2(Rho)) -0.1544475E+00 Diamond 0.1221347E+01 Metallicity 0.4577204E+01 Ellipticity 0.1213718E-01 Gb(Abramov) 0.2207880E+00 Vb(Abramov) -0.2871284E+00 Hb(Abramov) -0.6634045E-01 Ex_ueg -0.5740029E-01 Ec_ueg -0.8264277E-02 Delta_ex -0.6601215E-01 Delta_ec 0.1570168E-01 Delta_et -0.2083617E+00 Pxc 0.6945592E+01 Qxc -0.4204146E+01 3,-1 171 3 -1 2.993814 1.971898 -0.866530 Rho 0.1395523E+00 |GRAD(Rho)| 0.4396024E-15 GRAD(Rho)x -0.2581756E-17 GRAD(Rho)y -0.1790153E-15 GRAD(Rho)z -0.4014936E-15 Laplacian 0.5487922E+00 (-1/4)Del**2(Rho)) -0.1371981E+00 Diamond 0.1024700E+01 Metallicity 0.4714476E+01 Ellipticity 0.3205238E-01 Gb(Abramov) 0.1992682E+00 Vb(Abramov) -0.2613383E+00 Hb(Abramov) -0.6207014E-01 Ex_ueg -0.5346066E-01 Ec_ueg -0.7778101E-02 Delta_ex -0.5795769E-01 Delta_ec 0.1427048E-01 Delta_et -0.1881884E+00 Pxc 0.6873227E+01 Qxc -0.4061370E+01 3,-1 172 3 -1 2.784782 -1.815931 -0.543090 Rho 0.1345042E+00 |GRAD(Rho)| 0.8157780E-15 GRAD(Rho)x -0.3582272E-16 GRAD(Rho)y -0.6622171E-15 GRAD(Rho)z 0.4750567E-15 Laplacian 0.5700977E+00 (-1/4)Del**2(Rho)) -0.1425244E+00 Diamond 0.1016436E+01 Metallicity 0.4267992E+01 Ellipticity 0.1036117E-01 Gb(Abramov) 0.1963985E+00 Vb(Abramov) -0.2502725E+00 Hb(Abramov) -0.5387405E-01 Ex_ueg -0.5089786E-01 Ec_ueg -0.7459066E-02 Delta_ex -0.5964973E-01 Delta_ec 0.1491672E-01 Delta_et -0.1955073E+00 Pxc 0.6823624E+01 Qxc -0.3998851E+01 3,-1 173 3 -1 3.177026 0.077237 3.227072 Rho 0.2440829E+00 |GRAD(Rho)| 0.1536543E-15 GRAD(Rho)x -0.4851805E-16 GRAD(Rho)y -0.5830297E-16 GRAD(Rho)z 0.1336279E-15 Laplacian 0.8677426E+00 (-1/4)Del**2(Rho)) -0.2169356E+00 Diamond 0.3150358E+01 Metallicity 0.7570383E+01 Ellipticity 0.7568381E-04 Gb(Abramov) 0.4183381E+00 Vb(Abramov) -0.6197406E+00 Hb(Abramov) -0.2014025E+00 Ex_ueg -0.1126596E+00 Ec_ueg -0.1472181E-01 Delta_ex -0.1054003E+00 Delta_ec 0.1924455E-01 Delta_et -0.2674866E+00 Pxc 0.7652565E+01 Qxc -0.5476893E+01 3,-1 174 3 -1 -3.159514 0.037392 -3.258738 Rho 0.2436484E+00 |GRAD(Rho)| 0.3519791E-15 GRAD(Rho)x 0.2560886E-15 GRAD(Rho)y -0.1304837E-15 GRAD(Rho)z 0.2031795E-15 Laplacian 0.8725599E+00 (-1/4)Del**2(Rho)) -0.2181400E+00 Diamond 0.3153752E+01 Metallicity 0.7506263E+01 Ellipticity 0.2388185E-02 Gb(Abramov) 0.4183293E+00 Vb(Abramov) -0.6185187E+00 Hb(Abramov) -0.2001894E+00 Ex_ueg -0.1123923E+00 Ec_ueg -0.1469168E-01 Delta_ex -0.1058980E+00 Delta_ec 0.1929357E-01 Delta_et -0.2678482E+00 Pxc 0.7650062E+01 Qxc -0.5488771E+01 3,-1 175 3 -1 -3.198740 -0.036259 3.209685 Rho 0.2555069E+00 |GRAD(Rho)| 0.3469301E-14 GRAD(Rho)x 0.2334179E-14 GRAD(Rho)y 0.3330127E-15 GRAD(Rho)z -0.2544948E-14 Laplacian 0.9239179E+00 (-1/4)Del**2(Rho)) -0.2309795E+00 Diamond 0.3514732E+01 Metallicity 0.7673333E+01 Ellipticity 0.1178966E-02 Gb(Abramov) 0.4493834E+00 Vb(Abramov) -0.6677874E+00 Hb(Abramov) -0.2184039E+00 Ex_ueg -0.1197444E+00 Ec_ueg -0.1551764E-01 Delta_ex -0.1134323E+00 Delta_ec 0.1995252E-01 Delta_et -0.2764517E+00 Pxc 0.7716663E+01 Qxc -0.5685112E+01 3,-1 176 3 -1 -1.975010 -0.890250 -3.068396 Rho 0.1653621E+00 |GRAD(Rho)| 0.2117988E-15 GRAD(Rho)x -0.1399163E-15 GRAD(Rho)y 0.8161332E-16 GRAD(Rho)z 0.1364604E-15 Laplacian 0.6386896E+00 (-1/4)Del**2(Rho)) -0.1596724E+00 Diamond 0.1443620E+01 Metallicity 0.5375060E+01 Ellipticity 0.7456977E-01 Gb(Abramov) 0.2494897E+00 Vb(Abramov) -0.3393071E+00 Hb(Abramov) -0.8981733E-01 Ex_ueg -0.6703471E-01 Ec_ueg -0.9434056E-02 Delta_ex -0.7016347E-01 Delta_ec 0.1563231E-01 Delta_et -0.2102859E+00 Pxc 0.7105609E+01 Qxc -0.4488362E+01 3,-1 177 3 -1 -0.088167 -3.196431 3.182222 Rho 0.2441381E+00 |GRAD(Rho)| 0.5787242E-15 GRAD(Rho)x -0.7483705E-16 GRAD(Rho)y -0.5686640E-15 GRAD(Rho)z 0.7708677E-16 Laplacian 0.8701491E+00 (-1/4)Del**2(Rho)) -0.2175373E+00 Diamond 0.3157347E+01 Metallicity 0.7552294E+01 Ellipticity 0.2717418E-03 Gb(Abramov) 0.4188424E+00 Vb(Abramov) -0.6201475E+00 Hb(Abramov) -0.2013051E+00 Ex_ueg -0.1126936E+00 Ec_ueg -0.1472564E-01 Delta_ex -0.1056853E+00 Delta_ec 0.1927239E-01 Delta_et -0.2677673E+00 Pxc 0.7652883E+01 Qxc -0.5483766E+01 3,-1 178 3 -1 -0.856509 3.001731 1.994627 Rho 0.1358977E+00 |GRAD(Rho)| 0.4119378E-15 GRAD(Rho)x 0.4003281E-15 GRAD(Rho)y 0.9710386E-16 GRAD(Rho)z -0.1002887E-17 Laplacian 0.5376619E+00 (-1/4)Del**2(Rho)) -0.1344155E+00 Diamond 0.9595053E+00 Metallicity 0.4603882E+01 Ellipticity 0.6983434E-01 Gb(Abramov) 0.1927491E+00 Vb(Abramov) -0.2510828E+00 Hb(Abramov) -0.5833367E-01 Ex_ueg -0.5160217E-01 Ec_ueg -0.7546971E-02 Delta_ex -0.5627105E-01 Delta_ec 0.1380908E-01 Delta_et -0.1808386E+00 Pxc 0.6837467E+01 Qxc -0.4074930E+01 3,-1 179 3 -1 0.478490 0.462813 -0.489003 Rho 0.1875168E+00 |GRAD(Rho)| 0.3087028E-15 GRAD(Rho)x 0.3816392E-16 GRAD(Rho)y -0.6938894E-16 GRAD(Rho)z -0.2983724E-15 Laplacian 0.5220918E+00 (-1/4)Del**2(Rho)) -0.1305229E+00 Diamond 0.1411287E+01 Metallicity 0.8108367E+01 Ellipticity 0.2208211E-02 Gb(Abramov) 0.2634033E+00 Vb(Abramov) -0.3962836E+00 Hb(Abramov) -0.1328803E+00 Ex_ueg -0.7926937E-01 Ec_ueg -0.1088701E-01 Delta_ex -0.5948472E-01 Delta_ec 0.1287627E-01 Delta_et -0.1771727E+00 Pxc 0.7281094E+01 Qxc -0.4619715E+01 3,-1 180 3 -1 0.597297 -2.810966 -1.795596 Rho 0.1513237E+00 |GRAD(Rho)| 0.1542764E-15 GRAD(Rho)x -0.1091249E-15 GRAD(Rho)y -0.1928525E-16 GRAD(Rho)z -0.1073360E-15 Laplacian 0.6396298E+00 (-1/4)Del**2(Rho)) -0.1599074E+00 Diamond 0.1286456E+01 Metallicity 0.4629450E+01 Ellipticity 0.2515989E-01 Gb(Abramov) 0.2299856E+00 Vb(Abramov) -0.3000637E+00 Hb(Abramov) -0.7007811E-01 Ex_ueg -0.5955630E-01 Ec_ueg -0.8528304E-02 Delta_ex -0.6860740E-01 Delta_ec 0.1578030E-01 Delta_et -0.2093572E+00 Pxc 0.6983369E+01 Qxc -0.4347662E+01 3,-1 181 3 -1 3.018654 -1.986288 0.885386 Rho 0.1596256E+00 |GRAD(Rho)| 0.5379967E-15 GRAD(Rho)x 0.2157562E-16 GRAD(Rho)y -0.3071274E-15 GRAD(Rho)z -0.4411890E-15 Laplacian 0.6289137E+00 (-1/4)Del**2(Rho)) -0.1572284E+00 Diamond 0.1377497E+01 Metallicity 0.5146672E+01 Ellipticity 0.5018258E-01 Gb(Abramov) 0.2396861E+00 Vb(Abramov) -0.3221438E+00 Hb(Abramov) -0.8245770E-01 Ex_ueg -0.6395216E-01 Ec_ueg -0.9062513E-02 Delta_ex -0.6862233E-01 Delta_ec 0.1577809E-01 Delta_et -0.2119626E+00 Pxc 0.7056780E+01 Qxc -0.4349215E+01 3,-1 182 3 -1 3.215556 3.178917 0.058880 Rho 0.2546125E+00 |GRAD(Rho)| 0.1717764E-10 GRAD(Rho)x 0.1196001E-10 GRAD(Rho)y 0.1194553E-10 GRAD(Rho)z 0.3055115E-11 Laplacian 0.9248718E+00 (-1/4)Del**2(Rho)) -0.2312180E+00 Diamond 0.3498136E+01 Metallicity 0.7620750E+01 Ellipticity 0.1889390E-02 Gb(Abramov) 0.4478210E+00 Vb(Abramov) -0.6644241E+00 Hb(Abramov) -0.2166031E+00 Ex_ueg -0.1191858E+00 Ec_ueg -0.1545507E-01 Delta_ex -0.1134181E+00 Delta_ec 0.1994717E-01 Delta_et -0.2761364E+00 Pxc 0.7711760E+01 Qxc -0.5685925E+01 3,-1 183 3 -1 3.194701 -0.095284 -3.202960 Rho 0.2548967E+00 |GRAD(Rho)| 0.1733259E-10 GRAD(Rho)x 0.1191783E-10 GRAD(Rho)y -0.3226418E-11 GRAD(Rho)z -0.1216447E-10 Laplacian 0.9272358E+00 (-1/4)Del**2(Rho)) -0.2318089E+00 Diamond 0.3509338E+01 Metallicity 0.7615470E+01 Ellipticity 0.1912899E-02 Gb(Abramov) 0.4487616E+00 Vb(Abramov) -0.6657143E+00 Hb(Abramov) -0.2169527E+00 Ex_ueg -0.1193633E+00 Ec_ueg -0.1547495E-01 Delta_ex -0.1137294E+00 Delta_ec 0.1996979E-01 Delta_et -0.2763507E+00 Pxc 0.7713320E+01 Qxc -0.5695071E+01 3,-1 184 3 -1 0.106207 -3.234923 -3.167997 Rho 0.2441222E+00 |GRAD(Rho)| 0.2516607E-15 GRAD(Rho)x -0.4946672E-16 GRAD(Rho)y 0.1213764E-15 GRAD(Rho)z 0.2148347E-15 Laplacian 0.8693386E+00 (-1/4)Del**2(Rho)) -0.2173347E+00 Diamond 0.3154574E+01 Metallicity 0.7558514E+01 Ellipticity 0.6107370E-03 Gb(Abramov) 0.4186776E+00 Vb(Abramov) -0.6200206E+00 Hb(Abramov) -0.2013430E+00 Ex_ueg -0.1126838E+00 Ec_ueg -0.1472454E-01 Delta_ex -0.1055872E+00 Delta_ec 0.1925867E-01 Delta_et -0.2675934E+00 Pxc 0.7652791E+01 Qxc -0.5482581E+01 3,-1 185 3 -1 -4.292804 3.803266 -0.782726 Rho 0.3273411E+00 |GRAD(Rho)| 0.4012333E-14 GRAD(Rho)x 0.2390560E-14 GRAD(Rho)y 0.1667998E-14 GRAD(Rho)z 0.2757140E-14 Laplacian -0.1821799E+01 (-1/4)Del**2(Rho)) 0.4554496E+00 Diamond 0.6398903E+01 Metallicity -0.5880945E+01 Ellipticity 0.1674976E-02 Gb(Abramov) 0.1427793E+00 Vb(Abramov) -0.7410083E+00 Hb(Abramov) -0.5982290E+00 Ex_ueg -0.1666170E+00 Ec_ueg -0.2068636E-01 Delta_ex 0.1835474E+00 Delta_ec 0.6265894E-01 Delta_et -0.1504639E+01 Pxc 0.8054434E+01 Qxc 0.2929309E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 127 126 109 145 148 177 124 146 180 110 107 184 139 113 129 141 147 132 112 140 131 116 178 133 151 172 162 181 163 167 138 170 156 171 155 182 100 70 89 71 90 59 85 128 84 61 82 58 102 75 92 62 176 174 93 73 103 77 78 175 135 169 161 166 157 173 160 165 158 168 159 183 136 118 179 123 149 137 122 130 108 185 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 18 21 22 25 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 20 23 24 27 28 54 2.404802 1.926097 1.948952 1.958578 1.974767 1.710395 2.406547 1.947512 1.882919 2.059129 1.941199 1.710475 2.404021 1.942317 2.029943 1.908412 1.937720 1.709577 2.452597 1.968089 1.938633 1.952223 1.937814 1.708179 2.407787 1.953408 1.992449 1.898920 1.921017 1.720954 2.386511 1.919569 1.938619 1.952542 1.959252 1.721578 2.294076 1.827997 1.865954 1.962366 1.958790 1.856750 2.373279 1.930240 1.928586 1.952556 1.961637 1.721922 2.396166 2.112135 1.936807 1.942690 1.861033 1.710942 2.414704 1.941603 1.943807 1.931938 1.940106 1.720274 2.419039 1.958838 1.905042 1.999329 1.944375 1.710508 2.378864 1.915613 1.931343 1.943832 1.983683 1.721154 1.689829 1.692689 1.694188 1.706371 3.273812 3.260328 3.281471 3.222631 3.260557 0.981549 2.406675 1.926600 1.949459 1.959394 1.975671 1.710404 2.408323 1.948010 1.883385 2.059954 1.942078 1.710485 2.405826 1.942883 2.030509 1.909147 1.938576 1.709589 2.454116 1.968646 1.939172 1.953084 1.938302 1.708190 2.409752 1.953773 1.992855 1.899492 1.921669 1.720964 2.388258 1.919971 1.939026 1.953195 1.959958 1.721581 2.295402 1.828600 1.866484 1.963178 1.959602 1.858446 2.374992 1.930622 1.929032 1.953283 1.962319 1.721928 2.398056 2.112676 1.937407 1.943546 1.861624 1.710956 2.416421 1.941994 1.944227 1.932427 1.940788 1.720277 2.420688 1.959321 1.905587 2.000283 1.945192 1.710516 2.380531 1.915978 1.931798 1.944525 1.984387 1.721157 1.689834 1.692692 1.694189 1.706393 3.289478 3.269439 3.291119 3.232446 3.271497 0.981827 30 27 25 28 27 20 30 26 23 29 27 21 30 27 26 27 29 22 33 28 28 27 23 22 30 23 28 23 28 24 31 23 28 23 27 23 28 23 24 24 26 24 27 27 25 25 25 23 30 26 25 25 23 20 30 25 27 25 26 20 31 23 30 28 28 20 30 27 27 28 26 20 25 25 22 24 35 35 35 35 35 18 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 Mo Mo Mo Mo W W W W Mo W Mo 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 2.4016 2.3983 2.4152 2.4082 2.4963 2.5137 2.6341 2.5042 2.4060 2.5211 2.4052 2.5179 -1.1287 -1.1390 -1.1435 -1.1367 -0.9454 -0.9476 -0.8833 -0.9165 -0.9183 -0.8902 -0.9006 -0.9139 -0.8966 -0.9165 -0.9125 -0.9054 -0.9019 -0.9011 -0.9381 -0.9303 -0.8760 -0.8923 -0.9015 -0.8613 -0.9017 -0.8949 -0.8999 -0.8984 -0.6425 -0.6420 -0.6396 -0.6380 -0.7212 -0.7235 -0.6790 -0.7234 -0.6418 -0.7209 -0.6437 -0.7220 2.5072 0.3008 1.9297 1.9278 1.9335 1.9324 2.0859 2.0807 2.0656 2.0857 1.9183 2.0768 1.9191 2.0815 1.9391 1.9381 1.9369 1.9351 1.9356 1.9354 1.9497 1.9400 1.9398 1.9444 1.9427 1.9400 1.9435 1.9398 1.9403 1.9429 1.9527 1.9532 1.9506 1.9514 1.9537 1.9537 1.9508 1.9581 1.9537 1.9542 1.9525 1.9522 1.9888 1.9891 1.9891 1.9901 1.9776 1.9770 1.8782 1.9773 1.9888 1.9779 1.9888 1.9774 0.8038 0.6003 6.0546 6.0567 6.0391 6.0442 6.0888 6.0815 6.0829 6.0872 6.0498 6.0810 6.0531 6.0825 5.1502 5.1611 5.1665 5.1614 4.9794 4.9818 4.9025 4.9482 4.9504 4.9190 4.9321 4.9456 4.9234 4.9483 4.9441 4.9338 4.9177 4.9171 4.9546 4.9457 4.8937 4.9071 4.9197 4.8730 4.9174 4.9101 4.9162 4.9155 4.6166 4.6159 4.6133 4.6104 4.7044 4.7075 4.7687 4.7071 4.6159 4.7037 4.6178 4.7056 1.1395 0.0989 3.6141 3.6172 3.6122 3.6152 3.3003 3.2953 3.1867 3.2941 3.6259 3.2923 3.6227 3.2893 0.0394 0.0398 0.0401 0.0401 0.0304 0.0304 0.0311 0.0284 0.0282 0.0268 0.0258 0.0284 0.0297 0.0283 0.0282 0.0288 0.0315 0.0308 0.0330 0.0332 0.0287 0.0315 0.0309 0.0301 0.0306 0.0306 0.0311 0.0307 0.0371 0.0370 0.0372 0.0375 0.0392 0.0390 0.0321 0.0390 0.0371 0.0392 0.0371 0.0390 10.5495 0.0000 0.0000 0.0000 0.0000 0.0000 14.0287 14.0287 14.0308 14.0288 0.0000 14.0288 0.0000 14.0288 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 Mo Mo Mo Mo W W W W Mo W Mo 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 3.185233 3.179208 3.182369 3.182567 2.522062 2.522379 2.567171 2.523107 3.175132 2.523048 3.182889 2.523595 -1.174572 -1.177880 -1.139274 -1.126471 -0.932736 -0.933142 -0.965545 -1.041760 -1.049228 -1.158582 -1.165830 -1.050449 -1.008022 -1.046388 -1.044543 -1.055318 -0.992967 -1.009421 -0.898756 -0.894110 -1.115070 -1.012517 -1.009986 -1.102126 -1.010016 -1.000776 -0.999930 -1.009523 -0.906490 -0.905906 -0.902849 -0.901197 -0.740235 -0.744121 -0.501566 -0.743321 -0.904071 -0.740116 -0.906595 -0.742480 2.327037 0.168092 2.381493 2.380968 2.385388 2.384679 1.969266 1.964384 1.869611 1.962518 2.383709 1.959907 2.386838 1.960806 -0.881259 -0.882504 -0.829953 -0.805010 -0.694240 -0.696698 -0.744007 -0.797170 -0.798445 -0.902465 -0.899399 -0.799715 -0.768686 -0.797454 -0.794771 -0.806932 -0.808010 -0.809349 -0.723063 -0.697616 -0.892764 -0.809991 -0.808240 -0.888596 -0.810569 -0.778480 -0.806540 -0.809218 -0.654721 -0.649902 -0.648946 -0.648275 -0.605558 -0.615262 -0.630613 -0.612381 -0.645294 -0.611975 -0.651244 -0.613899 1.687560 0.452087 2.458819 2.453066 2.461096 2.457176 2.059123 2.059572 2.095719 2.056627 2.455024 2.050486 2.464585 2.052270 -0.896957 -0.892741 -0.857447 -0.840705 -0.776092 -0.781056 -0.838161 -0.875566 -0.873635 -0.975869 -0.985703 -0.876964 -0.863905 -0.875720 -0.877035 -0.880428 -0.845660 -0.850402 -0.762279 -0.752553 -0.931337 -0.837365 -0.842538 -0.914309 -0.854870 -0.829578 -0.843607 -0.841990 -0.613110 -0.607883 -0.612558 -0.609728 -0.568721 -0.580484 -0.628731 -0.573829 -0.608001 -0.577435 -0.609929 -0.579628 1.668767 0.452179 -8.03672685 6.76640159 -2.10855170 10.71537023 7.69073298 -33.57763948 17.66096832 3.55968241 -7.83758658 -11.25041539 -384.6949 411.3738 -113.6493 -356.5943 -5.0770 -448.6417 Jun11-2024 04:57:50 Nodes: 1 Procs: 1 Jun11-2024 04:57:52 Nodes: 1 Procs: 1 0 Jun11-2024 04:57:55 Nodes: 1 Procs: 1 Jun11-2024 04:57:57 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 04:58:00 Nodes: 1 Procs: 1 Jun11-2024 04:58:01 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 04:58:04 Nodes: 1 Procs: 1 Jun11-2024 04:58:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun11-2024 04:58:08 Nodes: 1 Procs: 1 Jun11-2024 04:58:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun11-2024 04:58:16 Nodes: 1 Procs: 5 *** (NO TITLE) *** -2 -15.89126245 -16.32753743 -16.37338939 -16.46458104 -16.48112492 -16.48391720 -16.48523924 -16.48633329 -16.48642825 -16.48656749 -16.48661050 -16.48669232 -16.48673439 -16.48679068 -16.48683383 -16.48687931 -16.48690737 -16.48691621 -16.48704367 -16.48705852 -16.48706981 -16.48708255 -16.48709976 -16.48710648 -16.48711723 -16.48713198 -16.48714679 -16.48715915 -16.48717628 -16.48718989 -16.48720117 -16.48722363 -16.48723969 -16.48725192 -16.48726620 -16.48727888 GEOMETRY CONVERGED