ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.02 0.90 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 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.37 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 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:53 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.08 0.04 1.44 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 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:53 Nodes: 1 Procs: 1 Jun10-2024 15:28:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.05 2.17 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 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:53 Nodes: 1 Procs: 1 Jun10-2024 15:28:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:06 Nodes: 1 Procs: 1 Jun10-2024 15:29:12 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:17 Hydrogen (TZP) c11-51 c11-51 c11-51 c11-51 c11-51 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.50 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:53 Nodes: 1 Procs: 1 Jun10-2024 15:28:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:06 Nodes: 1 Procs: 1 Jun10-2024 15:29:12 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:17 Nodes: 1 Procs: 1 Jun10-2024 15:29:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:27 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 1698.0629999999978 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AuxInfo=1/1/N:36,13,14,15,16;1;4;6;11;5;10;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;7;12;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4-1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nMoO1WMoMoMoWO1O1MoMoWO1O1OO1OOO1OO1OOOOO1OOOO1OOOOOAs4O1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4261,-2.3497,2.8275;3.637,-3.6973,-.2063;.01,2.3486,-2.5717;-.0085,2.4119,2.8304;2.3711,-2.588,.0254;2.4104,2.8242,-.0109;-2.3285,2.765,.4225;3.5258,4.0844,.2568;-3.5108,3.9404,.0021;-2.5788,-.0037,2.4099;2.8215,-.0004,2.4056;2.7787,.3972,-2.3332;.909,-1.0216,.9257;-1.158,-1.1435,-1.089;.8941,.8808,-1.0362;-1.0237,.9115,.9192;-3.3498,-1.0889,1.0672;2.7193,-1.1874,-1.2779;4.0739,.2775,3.5284;3.082,1.3062,1.1328;.2868,3.5378,4.0762;1.3044,1.1323,3.0716;-1.0787,1.0032,-3.3156;-1.1761,-1.2786,2.7577;-1.2841,2.6925,-1.1749;-.2258,3.6342,-3.6752;1.1461,3.0692,1.3012;.9888,-3.3227,-1.0369;3.3907,-1.4828,1.435;3.9633,-.013,-3.5081;3.5699,1.6986,-1.3659;-3.3635,1.5984,1.468;1.7246,-1.3649,3.5962;1.5954,1.437,-3.3671;-1.4703,1.4427,3.4151;-.1941,-.2025,-.163;-3.6681,-.1962,3.6991;-1.3539,3.5763,1.7099;1.4562,-3.3741,1.6367;1.4101,3.3758,-1.4802;.0051,-3.5196,3.9998;-1.5774,1.1816,-4.1412;-4.2112,-1.5159,1.2734;1.1944,-4.1578,-1.5143;/R:/0/N:36,1,5,10,11,4,6,13,14,16,41,28,2,17,37,19,21,8,9,30,23,26,15,39,24,33,29,35,22,20,27,18,32,38,31,40,25,34,7,12,3/E:(8,9,10)/CRV:1.4,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1,18.1,19.1,20.1,22.1 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 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 -8.206 -8.191 -8.169 -8.109 -8.088 -8.066 -7.977 -7.968 -7.300 -7.290 -5.695 -5.563 -5.134 -4.730 -4.703 -4.675 -4.630 -4.475 -4.407 -4.319 A A A A A A A A A A A A A A A A A A A A 0.00000000065071 0.00036740566840 0.00020784447708 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 42 42 42 42 42 42 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 74 74 74 33 1 1 1 0.426138 -2.349683 2.827535 -0.008519 2.411902 2.830388 2.371146 -2.588045 0.025354 2.410427 2.824166 -0.010945 -2.578800 -0.003700 2.409875 2.821467 -0.000413 2.405591 3.636990 -3.697254 -0.206299 3.525820 4.084431 0.256821 -3.510820 3.940441 0.002136 0.909030 -1.021621 0.925664 -1.157973 -1.143544 -1.089002 0.894118 0.880824 -1.036215 -1.023718 0.911472 0.919206 -3.349776 -1.088872 1.067232 2.719253 -1.187398 -1.277936 4.073907 0.277499 3.528363 3.082012 1.306151 1.132796 0.286826 3.537753 4.076249 1.304433 1.132278 3.071553 -1.078690 1.003162 -3.315590 -1.176092 -1.278598 2.757680 -1.284131 2.692506 -1.174948 -0.225804 3.634204 -3.675203 1.146110 3.069191 1.301239 0.988775 -3.322673 -1.036853 3.390671 -1.482782 1.434957 3.963286 -0.013008 -3.508127 3.569853 1.698639 -1.365905 -3.363505 1.598447 1.467965 1.724648 -1.364899 3.596240 1.595416 1.437045 -3.367108 -1.470308 1.442746 3.415086 -3.668110 -0.196211 3.699145 -1.353885 3.576302 1.709856 1.456182 -3.374108 1.636686 1.410130 3.375757 -1.480153 0.005117 -3.519601 3.999818 0.010026 2.348558 -2.571711 -2.328541 2.764998 0.422481 2.778724 0.397215 -2.333185 -0.194115 -0.202495 -0.163037 -1.577381 1.181618 -4.141197 -4.211188 -1.515859 1.273392 1.194350 -4.157840 -1.514294 1 3 -3 0.426138 -2.349683 2.827535 Rho 0.1240648E+06 3,-3 2 3 -3 -0.008519 2.411902 2.830388 Rho 0.1240647E+06 3,-3 3 3 -3 2.371146 -2.588045 0.025354 Rho 0.1240648E+06 3,-3 4 3 -3 2.410427 2.824166 -0.010945 Rho 0.1240647E+06 3,-3 5 3 -3 -2.578800 -0.003700 2.409875 Rho 0.1240648E+06 3,-3 6 3 -3 2.821467 -0.000413 2.405591 Rho 0.1240647E+06 3,-3 7 3 -3 3.636990 -3.697254 -0.206299 Rho 0.3196766E+03 3,-3 8 3 -3 3.525820 4.084431 0.256821 Rho 0.3196221E+03 3,-3 9 3 -3 -3.510820 3.940441 0.002136 Rho 0.3194573E+03 3,-3 10 3 -3 0.909030 -1.021621 0.925664 Rho 0.3190107E+03 3,-3 11 3 -3 -1.157973 -1.143544 -1.089002 Rho 0.3194229E+03 3,-3 12 3 -3 0.894118 0.880824 -1.036215 Rho 0.3189808E+03 3,-3 13 3 -3 -1.023718 0.911472 0.919206 Rho 0.3189958E+03 3,-3 14 3 -3 -3.349776 -1.088872 1.067232 Rho 0.3188646E+03 3,-3 15 3 -3 2.719253 -1.187398 -1.277936 Rho 0.3188673E+03 3,-3 16 3 -3 4.073907 0.277499 3.528363 Rho 0.3196228E+03 3,-3 17 3 -3 3.082012 1.306151 1.132796 Rho 0.3190579E+03 3,-3 18 3 -3 0.286826 3.537753 4.076249 Rho 0.3196197E+03 3,-3 19 3 -3 1.304433 1.132278 3.071553 Rho 0.3190465E+03 3,-3 20 3 -3 -1.078690 1.003162 -3.315590 Rho 0.3187395E+03 3,-3 21 3 -3 -1.176092 -1.278598 2.757680 Rho 0.3189459E+03 3,-3 22 3 -3 -1.284131 2.692506 -1.174948 Rho 0.3187931E+03 3,-3 23 3 -3 -0.225804 3.634204 -3.675203 Rho 0.3195074E+03 3,-3 24 3 -3 1.146110 3.069191 1.301239 Rho 0.3190628E+03 3,-3 25 3 -3 0.988775 -3.322673 -1.036853 Rho 0.3188749E+03 3,-3 26 3 -3 3.390671 -1.482782 1.434957 Rho 0.3191651E+03 3,-3 27 3 -3 3.963286 -0.013008 -3.508127 Rho 0.3194606E+03 3,-3 28 3 -3 3.569853 1.698639 -1.365905 Rho 0.3191419E+03 3,-3 29 3 -3 -3.363505 1.598447 1.467965 Rho 0.3190774E+03 3,-3 30 3 -3 1.724648 -1.364899 3.596240 Rho 0.3192478E+03 3,-3 31 3 -3 1.595416 1.437045 -3.367108 Rho 0.3190146E+03 3,-3 32 3 -3 -1.470308 1.442746 3.415086 Rho 0.3191702E+03 3,-3 33 3 -3 -3.668110 -0.196211 3.699145 Rho 0.3196745E+03 3,-3 34 3 -3 -1.353885 3.576302 1.709856 Rho 0.3191400E+03 3,-3 35 3 -3 1.456182 -3.374108 1.636686 Rho 0.3191616E+03 3,-3 36 3 -3 1.410130 3.375757 -1.480153 Rho 0.3191051E+03 3,-3 37 3 -3 0.005117 -3.519601 3.999818 Rho 0.3196124E+03 3,-3 38 3 -3 0.010026 2.348558 -2.571711 Rho 0.4361414E+07 3,-3 39 3 -3 -2.328541 2.764998 0.422481 Rho 0.4361415E+07 3,-3 40 3 -3 2.778724 0.397215 -2.333185 Rho 0.4361415E+07 3,-3 41 3 -3 -0.194115 -0.202495 -0.163037 Rho 0.4276111E+05 3,-3 42 3 -3 -1.577381 1.181618 -4.141197 Rho 0.4487605E+00 3,-3 43 3 -3 -4.211188 -1.515859 1.273392 Rho 0.4486276E+00 3,-3 44 3 -3 1.194350 -4.157840 -1.514294 Rho 0.4482170E+00 3,-3 45 3 -1 -2.211814 -1.055763 0.090444 Rho 0.7106631E-02 |GRAD(Rho)| 0.1523609E-15 GRAD(Rho)x -0.1243735E-15 GRAD(Rho)y -0.4718684E-16 GRAD(Rho)z 0.7428643E-16 Laplacian 0.2839224E-01 (-1/4)Del**2(Rho)) -0.7098060E-02 Diamond 0.1429649E-02 Metallicity 0.6375581E+00 Ellipticity 0.3609005E+00 Gb(Abramov) 0.5486278E-02 Vb(Abramov) -0.3874495E-02 Hb(Abramov) 0.1611782E-02 Ex_ueg -0.1009106E-02 Ec_ueg -0.2386666E-03 Delta_ex -0.1726611E-02 Delta_ec 0.1274657E-02 Delta_et -0.7545101E-02 Pxc 0.4228099E+01 Qxc -0.1354569E+01 3,-1 46 3 +1 -2.188902 1.055630 1.348494 Rho 0.3161505E-01 |GRAD(Rho)| 0.7019840E-13 GRAD(Rho)x 0.5865688E-13 GRAD(Rho)y -0.3731757E-13 GRAD(Rho)z -0.9725477E-14 Laplacian 0.1269378E+00 (-1/4)Del**2(Rho)) -0.3173444E-01 Diamond 0.2073886E-01 Metallicity 0.1715980E+01 Ellipticity -0.2923091E+01 Gb(Abramov) 0.3023224E-01 Vb(Abramov) -0.2873003E-01 Hb(Abramov) 0.1502204E-02 Ex_ueg -0.7383182E-02 Ec_ueg -0.1427210E-02 Delta_ex -0.8234628E-02 Delta_ec 0.1841608E-02 Delta_et -0.1721007E-01 Pxc 0.5173156E+01 Qxc -0.4471434E+01 3,+1 47 3 +1 -1.971256 -0.672992 0.440109 Rho 0.6252701E-02 |GRAD(Rho)| 0.1783197E-16 GRAD(Rho)x 0.1461140E-16 GRAD(Rho)y 0.9560748E-17 GRAD(Rho)z -0.3616389E-17 Laplacian 0.2487354E-01 (-1/4)Del**2(Rho)) -0.6218385E-02 Diamond 0.5917897E-03 Metallicity 0.5879247E+00 Ellipticity -0.1733136E+01 Gb(Abramov) 0.4754914E-02 Vb(Abramov) -0.3291442E-02 Hb(Abramov) 0.1463471E-02 Ex_ueg -0.8507631E-03 Ec_ueg -0.2012137E-03 Delta_ex -0.1159947E-02 Delta_ec 0.5472290E-03 Delta_et -0.3270249E-02 Pxc 0.4228157E+01 Qxc -0.2119674E+01 3,+1 48 3 +1 0.374844 -1.952282 -0.638068 Rho 0.6608973E-02 |GRAD(Rho)| 0.8279937E-15 GRAD(Rho)x 0.4327159E-15 GRAD(Rho)y 0.5987279E-15 GRAD(Rho)z -0.3739723E-15 Laplacian 0.2636414E-01 (-1/4)Del**2(Rho)) -0.6591036E-02 Diamond 0.6840315E-03 Metallicity 0.6083537E+00 Ellipticity -0.1806375E+01 Gb(Abramov) 0.5062304E-02 Vb(Abramov) -0.3533572E-02 Hb(Abramov) 0.1528732E-02 Ex_ueg -0.9160033E-03 Ec_ueg -0.2167973E-03 Delta_ex -0.1249876E-02 Delta_ec 0.5891870E-03 Delta_et -0.3571999E-02 Pxc 0.4225160E+01 Qxc -0.2121356E+01 3,+1 49 3 +1 0.495327 1.709260 0.483560 Rho 0.5763026E-02 |GRAD(Rho)| 0.1042051E-16 GRAD(Rho)x 0.5360219E-17 GRAD(Rho)y -0.5192393E-17 GRAD(Rho)z -0.7272837E-17 Laplacian 0.2204078E-01 (-1/4)Del**2(Rho)) -0.5510196E-02 Diamond 0.3596502E-03 Metallicity 0.5791669E+00 Ellipticity -0.1367643E+01 Gb(Abramov) 0.4205351E-02 Vb(Abramov) -0.2900506E-02 Hb(Abramov) 0.1304845E-02 Ex_ueg -0.7631077E-03 Ec_ueg -0.1798953E-03 Delta_ex -0.9249040E-03 Delta_ec 0.3339024E-03 Delta_et -0.2035212E-02 Pxc 0.4241955E+01 Qxc -0.2769983E+01 3,+1 50 3 -1 -3.161602 -0.103919 3.102030 Rho 0.2510700E+00 |GRAD(Rho)| 0.5586447E-15 GRAD(Rho)x 0.4368793E-15 GRAD(Rho)y 0.1553255E-15 GRAD(Rho)z -0.3115997E-15 Laplacian 0.9273672E+00 (-1/4)Del**2(Rho)) -0.2318418E+00 Diamond 0.3480068E+01 Metallicity 0.7424823E+01 Ellipticity 0.3478545E-02 Gb(Abramov) 0.4414586E+00 Vb(Abramov) -0.6510754E+00 Hb(Abramov) -0.2096168E+00 Ex_ueg -0.1169800E+00 Ec_ueg -0.1520770E-01 Delta_ex -0.1134622E+00 Delta_ec 0.2036575E-01 Delta_et -0.2831780E+00 Pxc 0.7692151E+01 Qxc -0.5571225E+01 3,-1 51 3 -1 -2.964691 0.843311 1.904527 Rho 0.1133136E+00 |GRAD(Rho)| 0.3365550E-12 GRAD(Rho)x -0.1221590E-12 GRAD(Rho)y 0.2690865E-12 GRAD(Rho)z -0.1610556E-12 Laplacian 0.4222898E+00 (-1/4)Del**2(Rho)) -0.1055725E+00 Diamond 0.6164375E+00 Metallicity 0.4329851E+01 Ellipticity 0.2212417E-01 Gb(Abramov) 0.1465671E+00 Vb(Abramov) -0.1875618E+00 Hb(Abramov) -0.4099467E-01 Ex_ueg -0.4049748E-01 Ec_ueg -0.6138374E-02 Delta_ex -0.4246371E-01 Delta_ec 0.1160059E-01 Delta_et -0.1478033E+00 Pxc 0.6597428E+01 Qxc -0.3660479E+01 3,-1 52 3 -1 -1.770583 0.444560 1.628835 Rho 0.5325283E-01 |GRAD(Rho)| 0.1212650E-15 GRAD(Rho)x 0.3710767E-16 GRAD(Rho)y 0.6419409E-16 GRAD(Rho)z -0.9595486E-16 Laplacian 0.2071335E+00 (-1/4)Del**2(Rho)) -0.5178337E-01 Diamond 0.1146920E+00 Metallicity 0.2507652E+01 Ellipticity 0.3602804E-01 Gb(Abramov) 0.5616470E-01 Vb(Abramov) -0.6054602E-01 Hb(Abramov) -0.4381323E-02 Ex_ueg -0.1479705E-01 Ec_ueg -0.2595452E-02 Delta_ex -0.1733479E-01 Delta_ec 0.6189811E-02 Delta_et -0.6635496E-01 Pxc 0.5701148E+01 Qxc -0.2800537E+01 3,-1 53 3 -1 -2.867983 2.128608 0.979445 Rho 0.1692651E+00 |GRAD(Rho)| 0.4676816E-14 GRAD(Rho)x -0.2499086E-16 GRAD(Rho)y -0.4002115E-14 GRAD(Rho)z -0.2419722E-14 Laplacian 0.6465274E+00 (-1/4)Del**2(Rho)) -0.1616319E+00 Diamond 0.1529848E+01 Metallicity 0.5520417E+01 Ellipticity 0.6201627E-01 Gb(Abramov) 0.2564671E+00 Vb(Abramov) -0.3513024E+00 Hb(Abramov) -0.9483526E-01 Ex_ueg -0.6915256E-01 Ec_ueg -0.9687958E-02 Delta_ex -0.7166861E-01 Delta_ec 0.1613770E-01 Delta_et -0.2188062E+00 Pxc 0.7137992E+01 Qxc -0.4441068E+01 3,-1 54 3 +1 -0.913714 1.419080 2.116079 Rho 0.2427996E-01 |GRAD(Rho)| 0.1452783E-16 GRAD(Rho)x -0.5685747E-17 GRAD(Rho)y 0.2730821E-18 GRAD(Rho)z -0.1336621E-16 Laplacian 0.9264549E-01 (-1/4)Del**2(Rho)) -0.2316137E-01 Diamond 0.1065909E-01 Metallicity 0.1514266E+01 Ellipticity -0.2732895E+01 Gb(Abramov) 0.2128633E-01 Vb(Abramov) -0.1941129E-01 Hb(Abramov) 0.1875043E-02 Ex_ueg -0.5192571E-02 Ec_ueg -0.1052530E-02 Delta_ex -0.5606608E-02 Delta_ec 0.1374512E-02 Delta_et -0.1209630E-01 Pxc 0.4933418E+01 Qxc -0.4078981E+01 3,+1 55 3 +1 -0.033590 0.043575 2.806488 Rho 0.3971333E-02 |GRAD(Rho)| 0.5019779E-13 GRAD(Rho)x -0.4777924E-13 GRAD(Rho)y 0.9213658E-14 GRAD(Rho)z 0.1233170E-13 Laplacian 0.1623222E-01 (-1/4)Del**2(Rho)) -0.4058055E-02 Diamond 0.2632428E-03 Metallicity 0.4227943E+00 Ellipticity -0.1903222E+01 Gb(Abramov) 0.2991324E-02 Vb(Abramov) -0.1924593E-02 Hb(Abramov) 0.1066731E-02 Ex_ueg -0.4644798E-03 Ec_ueg -0.1029173E-03 Delta_ex -0.7541989E-03 Delta_ec 0.4783321E-03 Delta_et -0.2437242E-02 Pxc 0.4513138E+01 Qxc -0.1576727E+01 3,+1 56 3 +1 -0.939268 2.133134 1.581644 Rho 0.1973424E-01 |GRAD(Rho)| 0.2302435E-14 GRAD(Rho)x 0.6615205E-15 GRAD(Rho)y 0.1429459E-14 GRAD(Rho)z 0.1679358E-14 Laplacian 0.6817163E-01 (-1/4)Del**2(Rho)) -0.1704291E-01 Diamond 0.4549925E-02 Metallicity 0.1456723E+01 Ellipticity -0.1746924E+01 Gb(Abramov) 0.1549974E-01 Vb(Abramov) -0.1395657E-01 Hb(Abramov) 0.1543171E-02 Ex_ueg -0.3938634E-02 Ec_ueg -0.8274331E-03 Delta_ex -0.3700898E-02 Delta_ec 0.6543097E-03 Delta_et -0.5636119E-02 Pxc 0.4760063E+01 Qxc -0.5656187E+01 3,+1 57 3 -1 -1.830647 -0.671126 2.583384 Rho 0.1345174E+00 |GRAD(Rho)| 0.4335136E-13 GRAD(Rho)x -0.3530868E-13 GRAD(Rho)y 0.6850166E-14 GRAD(Rho)z 0.2420149E-13 Laplacian 0.5679804E+00 (-1/4)Del**2(Rho)) -0.1419951E+00 Diamond 0.1002719E+01 Metallicity 0.4284601E+01 Ellipticity 0.2064050E-01 Gb(Abramov) 0.1960621E+00 Vb(Abramov) -0.2501292E+00 Hb(Abramov) -0.5406703E-01 Ex_ueg -0.5090450E-01 Ec_ueg -0.7459896E-02 Delta_ex -0.5931371E-01 Delta_ec 0.1465406E-01 Delta_et -0.1916633E+00 Pxc 0.6823755E+01 Qxc -0.4047595E+01 3,-1 58 3 +1 0.489599 0.490084 1.720821 Rho 0.5990561E-02 |GRAD(Rho)| 0.1224084E-10 GRAD(Rho)x -0.3177649E-11 GRAD(Rho)y 0.1059891E-10 GRAD(Rho)z 0.5234870E-11 Laplacian 0.2299565E-01 (-1/4)Del**2(Rho)) -0.5748913E-02 Diamond 0.3928921E-03 Metallicity 0.5921249E+00 Ellipticity -0.1371802E+01 Gb(Abramov) 0.4399954E-02 Vb(Abramov) -0.3050996E-02 Hb(Abramov) 0.1348958E-02 Ex_ueg -0.8035417E-03 Ec_ueg -0.1897866E-03 Delta_ex -0.9721432E-03 Delta_ec 0.3450461E-03 Delta_et -0.2127761E-02 Pxc 0.4233921E+01 Qxc -0.2817430E+01 3,+1 59 3 +3 0.018862 0.048768 2.396449 Rho 0.3794797E-02 |GRAD(Rho)| 0.1185033E-17 GRAD(Rho)x -0.8499905E-18 GRAD(Rho)y -0.4284496E-19 GRAD(Rho)z 0.8246108E-18 Laplacian 0.1542582E-01 (-1/4)Del**2(Rho)) -0.3856454E-02 Diamond 0.1295419E-03 Metallicity 0.4124260E+00 Ellipticity -0.2902101E+00 Gb(Abramov) 0.2836053E-02 Vb(Abramov) -0.1815652E-02 Hb(Abramov) 0.1020401E-02 Ex_ueg -0.4371561E-03 Ec_ueg -0.9542251E-04 Delta_ex -0.5686489E-03 Delta_ec 0.2011903E-03 Delta_et -0.1123040E-02 Pxc 0.4581268E+01 Qxc -0.2826424E+01 3,+3 60 3 +1 0.048359 2.775320 -0.028170 Rho 0.3999239E-02 |GRAD(Rho)| 0.1814915E-17 GRAD(Rho)x -0.9266523E-18 GRAD(Rho)y 0.7104304E-18 GRAD(Rho)z -0.1389432E-17 Laplacian 0.1637830E-01 (-1/4)Del**2(Rho)) -0.4094574E-02 Diamond 0.2570095E-03 Metallicity 0.4239422E+00 Ellipticity -0.1730712E+01 Gb(Abramov) 0.3019027E-02 Vb(Abramov) -0.1943479E-02 Hb(Abramov) 0.1075548E-02 Ex_ueg -0.4688366E-03 Ec_ueg -0.1041035E-03 Delta_ex -0.7481065E-03 Delta_ec 0.4578252E-03 Delta_et -0.2348573E-02 Pxc 0.4503563E+01 Qxc -0.1634044E+01 3,+1 61 3 -1 -0.538148 1.636402 1.853420 Rho 0.2715384E-01 |GRAD(Rho)| 0.5698324E-16 GRAD(Rho)x 0.1190134E-16 GRAD(Rho)y 0.5409470E-16 GRAD(Rho)z 0.1338699E-16 Laplacian 0.1035482E+00 (-1/4)Del**2(Rho)) -0.2588706E-01 Diamond 0.2174285E-01 Metallicity 0.1632510E+01 Ellipticity 0.2219621E+00 Gb(Abramov) 0.2430152E-01 Vb(Abramov) -0.2271598E-01 Hb(Abramov) 0.1585541E-02 Ex_ueg -0.6027816E-02 Ec_ueg -0.1197756E-02 Delta_ex -0.7223108E-02 Delta_ec 0.2897737E-02 Delta_et -0.2590270E-01 Pxc 0.5032590E+01 Qxc -0.2492672E+01 3,-1 62 3 -1 -0.787484 1.890887 3.119202 Rho 0.1706863E+00 |GRAD(Rho)| 0.5193158E-13 GRAD(Rho)x 0.4223973E-13 GRAD(Rho)y 0.2761228E-13 GRAD(Rho)z -0.1225791E-13 Laplacian 0.6519616E+00 (-1/4)Del**2(Rho)) -0.1629904E+00 Diamond 0.1536494E+01 Metallicity 0.5551227E+01 Ellipticity 0.5624683E-01 Gb(Abramov) 0.2594597E+00 Vb(Abramov) -0.3559290E+00 Hb(Abramov) -0.9646931E-01 Ex_ueg -0.6992782E-01 Ec_ueg -0.9780634E-02 Delta_ex -0.7223908E-01 Delta_ec 0.1591238E-01 Delta_et -0.2150772E+00 Pxc 0.7149620E+01 Qxc -0.4539803E+01 3,-1 63 3 -1 -1.799801 3.191630 1.116753 Rho 0.2023635E+00 |GRAD(Rho)| 0.1141809E-14 GRAD(Rho)x -0.3519320E-15 GRAD(Rho)y 0.1085828E-14 GRAD(Rho)z -0.2911083E-16 Laplacian 0.7484861E+00 (-1/4)Del**2(Rho)) -0.1871215E+00 Diamond 0.2201268E+01 Metallicity 0.6421697E+01 Ellipticity 0.5532519E-01 Gb(Abramov) 0.3250207E+00 Vb(Abramov) -0.4629198E+00 Hb(Abramov) -0.1378991E+00 Ex_ueg -0.8774615E-01 Ec_ueg -0.1187634E-01 Delta_ex -0.8683150E-01 Delta_ec 0.1789811E-01 Delta_et -0.2474763E+00 Pxc 0.7388316E+01 Qxc -0.4851435E+01 3,-1 64 3 -1 -1.647880 1.791542 0.650595 Rho 0.5711302E-01 |GRAD(Rho)| 0.8515420E-14 GRAD(Rho)x -0.5551714E-14 GRAD(Rho)y 0.6426017E-14 GRAD(Rho)z -0.6301938E-15 Laplacian 0.2273452E+00 (-1/4)Del**2(Rho)) -0.5683630E-01 Diamond 0.1346810E+00 Metallicity 0.2567355E+01 Ellipticity 0.2710781E-01 Gb(Abramov) 0.6221070E-01 Vb(Abramov) -0.6758509E-01 Hb(Abramov) -0.5374392E-02 Ex_ueg -0.1624421E-01 Ec_ueg -0.2811671E-02 Delta_ex -0.1923077E-01 Delta_ec 0.6547452E-02 Delta_et -0.7136506E-01 Pxc 0.5777422E+01 Qxc -0.2937138E+01 3,-1 65 3 -1 -1.767469 2.717490 -0.425364 Rho 0.1486729E+00 |GRAD(Rho)| 0.3721652E-15 GRAD(Rho)x 0.1226097E-15 GRAD(Rho)y 0.5536716E-16 GRAD(Rho)z -0.3469989E-15 Laplacian 0.6376141E+00 (-1/4)Del**2(Rho)) -0.1594035E+00 Diamond 0.1278112E+01 Metallicity 0.4509291E+01 Ellipticity 0.1783848E-01 Gb(Abramov) 0.2260685E+00 Vb(Abramov) -0.2927335E+00 Hb(Abramov) -0.6666497E-01 Ex_ueg -0.5816934E-01 Ec_ueg -0.8358614E-02 Delta_ex -0.6832144E-01 Delta_ec 0.1620815E-01 Delta_et -0.2154824E+00 Pxc 0.6959208E+01 Qxc -0.4215253E+01 3,-1 66 3 +1 -0.607961 -0.607447 1.498517 Rho 0.1042509E-01 |GRAD(Rho)| 0.1963883E-16 GRAD(Rho)x 0.6791702E-17 GRAD(Rho)y 0.6894650E-17 GRAD(Rho)z -0.1708860E-16 Laplacian 0.4155595E-01 (-1/4)Del**2(Rho)) -0.1038899E-01 Diamond 0.1397011E-02 Metallicity 0.8249853E+00 Ellipticity -0.1455616E+01 Gb(Abramov) 0.8354452E-02 Vb(Abramov) -0.6319917E-02 Hb(Abramov) 0.2034536E-02 Ex_ueg -0.1681995E-02 Ec_ueg -0.3873626E-03 Delta_ex -0.1976933E-02 Delta_ec 0.5541846E-03 Delta_et -0.4001849E-02 Pxc 0.4342172E+01 Qxc -0.3567282E+01 3,+1 67 3 +3 1.067846 1.068664 1.052306 Rho 0.3331429E-02 |GRAD(Rho)| 0.3027076E-17 GRAD(Rho)x -0.1350918E-17 GRAD(Rho)y 0.1422045E-17 GRAD(Rho)z 0.2305644E-17 Laplacian 0.1287844E-01 (-1/4)Del**2(Rho)) -0.3219611E-02 Diamond 0.6076553E-04 Metallicity 0.3976193E+00 Ellipticity -0.4164207E-01 Gb(Abramov) 0.2359770E-02 Vb(Abramov) -0.1499930E-02 Hb(Abramov) 0.8598404E-03 Ex_ueg -0.3674733E-03 Ec_ueg -0.7582960E-04 Delta_ex -0.4126383E-03 Delta_ec 0.8262153E-04 Delta_et -0.5308903E-03 Pxc 0.4846041E+01 Qxc -0.4994319E+01 3,+3 68 3 -1 -1.048931 0.041531 -2.150236 Rho 0.7019914E-02 |GRAD(Rho)| 0.1692634E-16 GRAD(Rho)x 0.1153499E-18 GRAD(Rho)y -0.8798218E-17 GRAD(Rho)z 0.1445956E-16 Laplacian 0.2774427E-01 (-1/4)Del**2(Rho)) -0.6936067E-02 Diamond 0.1344539E-02 Metallicity 0.6392336E+00 Ellipticity 0.4748672E+00 Gb(Abramov) 0.5363006E-02 Vb(Abramov) -0.3789945E-02 Hb(Abramov) 0.1573061E-02 Ex_ueg -0.9927216E-03 Ec_ueg -0.2348474E-03 Delta_ex -0.1666029E-02 Delta_ec 0.1214329E-02 Delta_et -0.7169242E-02 Pxc 0.4227091E+01 Qxc -0.1371975E+01 3,-1 69 3 +1 -0.712096 0.347517 -1.939560 Rho 0.6426103E-02 |GRAD(Rho)| 0.2502471E-14 GRAD(Rho)x -0.7780188E-15 GRAD(Rho)y -0.2260491E-14 GRAD(Rho)z 0.7397516E-15 Laplacian 0.2547828E-01 (-1/4)Del**2(Rho)) -0.6369571E-02 Diamond 0.6469030E-03 Metallicity 0.6007435E+00 Ellipticity -0.1842930E+01 Gb(Abramov) 0.4884127E-02 Vb(Abramov) -0.3398683E-02 Hb(Abramov) 0.1485444E-02 Ex_ueg -0.8823657E-03 Ec_ueg -0.2087908E-03 Delta_ex -0.1207305E-02 Delta_ec 0.5817814E-03 Delta_et -0.3492127E-02 Pxc 0.4226076E+01 Qxc -0.2075187E+01 3,+1 70 3 +1 1.547704 -0.970212 2.165126 Rho 0.1889972E-01 |GRAD(Rho)| 0.9509071E-17 GRAD(Rho)x -0.9375817E-17 GRAD(Rho)y -0.9139076E-18 GRAD(Rho)z 0.1296637E-17 Laplacian 0.6540521E-01 (-1/4)Del**2(Rho)) -0.1635130E-01 Diamond 0.4432971E-02 Metallicity 0.1412841E+01 Ellipticity -0.1879315E+01 Gb(Abramov) 0.1475117E-01 Vb(Abramov) -0.1315103E-01 Hb(Abramov) 0.1600136E-02 Ex_ueg -0.3718140E-02 Ec_ueg -0.7867738E-03 Delta_ex -0.3558446E-02 Delta_ec 0.7184487E-03 Delta_et -0.6071752E-02 Pxc 0.4725805E+01 Qxc -0.4952957E+01 3,+1 71 3 -1 -0.574899 1.648797 -2.989604 Rho 0.1661586E+00 |GRAD(Rho)| 0.7603701E-15 GRAD(Rho)x 0.3232549E-15 GRAD(Rho)y 0.6787919E-15 GRAD(Rho)z 0.1136244E-15 Laplacian 0.6589400E+00 (-1/4)Del**2(Rho)) -0.1647350E+00 Diamond 0.1542849E+01 Metallicity 0.5251764E+01 Ellipticity 0.1266702E+00 Gb(Abramov) 0.2540149E+00 Vb(Abramov) -0.3432947E+00 Hb(Abramov) -0.8927987E-01 Ex_ueg -0.6746554E-01 Ec_ueg -0.9485795E-02 Delta_ex -0.7286463E-01 Delta_ec 0.1680376E-01 Delta_et -0.2280516E+00 Pxc 0.7112271E+01 Qxc -0.4336209E+01 3,-1 72 3 +1 -0.602783 1.450058 -0.592528 Rho 0.1082527E-01 |GRAD(Rho)| 0.5863098E-16 GRAD(Rho)x -0.2509053E-16 GRAD(Rho)y -0.1974325E-16 GRAD(Rho)z 0.4917582E-16 Laplacian 0.4393238E-01 (-1/4)Del**2(Rho)) -0.1098310E-01 Diamond 0.1513836E-02 Metallicity 0.8309203E+00 Ellipticity -0.1421071E+01 Gb(Abramov) 0.8843077E-02 Vb(Abramov) -0.6703058E-02 Hb(Abramov) 0.2140019E-02 Ex_ueg -0.1768628E-02 Ec_ueg -0.4056144E-03 Delta_ex -0.2096913E-02 Delta_ec 0.5615023E-03 Delta_et -0.4112129E-02 Pxc 0.4360368E+01 Qxc -0.3734470E+01 3,+1 73 3 -1 -0.714496 2.995956 2.224982 Rho 0.8963923E-01 |GRAD(Rho)| 0.6134687E-13 GRAD(Rho)x 0.3887547E-13 GRAD(Rho)y -0.2471353E-13 GRAD(Rho)z 0.4051392E-13 Laplacian 0.3548557E+00 (-1/4)Del**2(Rho)) -0.8871392E-01 Diamond 0.3849587E+00 Metallicity 0.3486515E+01 Ellipticity 0.1749980E-01 Gb(Abramov) 0.1106930E+00 Vb(Abramov) -0.1326721E+00 Hb(Abramov) -0.2197910E-01 Ex_ueg -0.2962892E-01 Ec_ueg -0.4701831E-02 Delta_ex -0.3368320E-01 Delta_ec 0.1007002E-01 Delta_et -0.1222519E+00 Pxc 0.6301572E+01 Qxc -0.3344899E+01 3,-1 74 3 +1 1.187600 1.200562 -2.184255 Rho 0.3333023E-01 |GRAD(Rho)| 0.2831340E-12 GRAD(Rho)x -0.2516311E-12 GRAD(Rho)y 0.1256693E-12 GRAD(Rho)z 0.3246393E-13 Laplacian 0.1378816E+00 (-1/4)Del**2(Rho)) -0.3447041E-01 Diamond 0.2723005E-01 Metallicity 0.1725191E+01 Ellipticity -0.6295146E+01 Gb(Abramov) 0.3289161E-01 Vb(Abramov) -0.3131281E-01 Hb(Abramov) 0.1578797E-02 Ex_ueg -0.7922022E-02 Ec_ueg -0.1516629E-02 Delta_ex -0.9298123E-02 Delta_ec 0.2396089E-02 Delta_et -0.2265141E-01 Pxc 0.5223441E+01 Qxc -0.3880541E+01 3,+1 75 3 -1 0.024544 -2.185719 -1.002666 Rho 0.7423336E-02 |GRAD(Rho)| 0.2022819E-16 GRAD(Rho)x 0.1492193E-16 GRAD(Rho)y -0.1363897E-16 GRAD(Rho)z 0.7031055E-18 Laplacian 0.2965821E-01 (-1/4)Del**2(Rho)) -0.7414553E-02 Diamond 0.1554763E-02 Metallicity 0.6563469E+00 Ellipticity 0.4114957E+00 Gb(Abramov) 0.5754122E-02 Vb(Abramov) -0.4093690E-02 Hb(Abramov) 0.1660431E-02 Ex_ueg -0.1069508E-02 Ec_ueg -0.2526446E-03 Delta_ex -0.1801936E-02 Delta_ec 0.1303334E-02 Delta_et -0.7826636E-02 Pxc 0.4233250E+01 Qxc -0.1382559E+01 3,-1 76 3 +1 2.113901 1.569411 -0.941910 Rho 0.1888205E-01 |GRAD(Rho)| 0.1001858E-11 GRAD(Rho)x 0.3756600E-12 GRAD(Rho)y -0.5917082E-12 GRAD(Rho)z -0.7158770E-12 Laplacian 0.6500313E-01 (-1/4)Del**2(Rho)) -0.1625078E-01 Diamond 0.4084926E-02 Metallicity 0.1419366E+01 Ellipticity -0.1727122E+01 Gb(Abramov) 0.1467816E-01 Vb(Abramov) -0.1310553E-01 Hb(Abramov) 0.1572627E-02 Ex_ueg -0.3713505E-02 Ec_ueg -0.7859152E-03 Delta_ex -0.3485899E-02 Delta_ec 0.6252058E-03 Delta_et -0.5337923E-02 Pxc 0.4725071E+01 Qxc -0.5575604E+01 3,+1 77 3 -1 -0.415713 -1.779841 2.780807 Rho 0.1338481E+00 |GRAD(Rho)| 0.3419444E-15 GRAD(Rho)x -0.3327552E-15 GRAD(Rho)y -0.7560955E-16 GRAD(Rho)z 0.2198135E-16 Laplacian 0.5654434E+00 (-1/4)Del**2(Rho)) -0.1413609E+00 Diamond 0.9904653E+00 Metallicity 0.4268196E+01 Ellipticity 0.1342493E-01 Gb(Abramov) 0.1947999E+00 Vb(Abramov) -0.2482389E+00 Hb(Abramov) -0.5343902E-01 Ex_ueg -0.5056709E-01 Ec_ueg -0.7417722E-02 Delta_ex -0.5895636E-01 Delta_ec 0.1456874E-01 Delta_et -0.1903260E+00 Pxc 0.6817065E+01 Qxc -0.4046773E+01 3,-1 78 3 +1 2.792982 -0.048608 0.057722 Rho 0.3978268E-02 |GRAD(Rho)| 0.7336839E-17 GRAD(Rho)x -0.2162194E-18 GRAD(Rho)y -0.7279035E-17 GRAD(Rho)z -0.8933619E-18 Laplacian 0.1622696E-01 (-1/4)Del**2(Rho)) -0.4056741E-02 Diamond 0.2523996E-03 Metallicity 0.4241629E+00 Ellipticity -0.1732554E+01 Gb(Abramov) 0.2991280E-02 Vb(Abramov) -0.1925820E-02 Hb(Abramov) 0.1065460E-02 Ex_ueg -0.4655615E-03 Ec_ueg -0.1032120E-03 Delta_ex -0.7398790E-03 Delta_ec 0.4525984E-03 Delta_et -0.2318587E-02 Pxc 0.4510730E+01 Qxc -0.1634736E+01 3,+1 79 3 -1 -0.673248 2.522507 -1.822207 Rho 0.1399370E+00 |GRAD(Rho)| 0.5020707E-15 GRAD(Rho)x -0.4150597E-15 GRAD(Rho)y -0.1848802E-15 GRAD(Rho)z 0.2135878E-15 Laplacian 0.5941807E+00 (-1/4)Del**2(Rho)) -0.1485452E+00 Diamond 0.1119370E+01 Metallicity 0.4374371E+01 Ellipticity 0.2739964E-01 Gb(Abramov) 0.2073287E+00 Vb(Abramov) -0.2661123E+00 Hb(Abramov) -0.5878354E-01 Ex_ueg -0.5365726E-01 Ec_ueg -0.7802482E-02 Delta_ex -0.6286142E-01 Delta_ec 0.1556228E-01 Delta_et -0.2055620E+00 Pxc 0.6876947E+01 Qxc -0.4039344E+01 3,-1 80 3 +3 0.067440 2.364625 0.022659 Rho 0.3823667E-02 |GRAD(Rho)| 0.1666313E-15 GRAD(Rho)x 0.8520824E-16 GRAD(Rho)y 0.1418331E-15 GRAD(Rho)z 0.1972151E-16 Laplacian 0.1552350E-01 (-1/4)Del**2(Rho)) -0.3880876E-02 Diamond 0.1278836E-03 Metallicity 0.4150403E+00 Ellipticity -0.3594885E+00 Gb(Abramov) 0.2855704E-02 Vb(Abramov) -0.1830532E-02 Hb(Abramov) 0.1025172E-02 Ex_ueg -0.4415961E-03 Ec_ueg -0.9664704E-04 Delta_ex -0.5682061E-03 Delta_ec 0.1934097E-03 Delta_et -0.1090809E-02 Pxc 0.4569163E+01 Qxc -0.2937837E+01 3,+3 81 3 +1 1.717170 0.502437 0.475730 Rho 0.5789222E-02 |GRAD(Rho)| 0.1887023E-14 GRAD(Rho)x 0.1300283E-14 GRAD(Rho)y 0.2334801E-15 GRAD(Rho)z 0.1347444E-14 Laplacian 0.2205326E-01 (-1/4)Del**2(Rho)) -0.5513314E-02 Diamond 0.3605071E-03 Metallicity 0.5832313E+00 Ellipticity -0.1369040E+01 Gb(Abramov) 0.4211466E-02 Vb(Abramov) -0.2909617E-02 Hb(Abramov) 0.1301848E-02 Ex_ueg -0.7677362E-03 Ec_ueg -0.1810328E-03 Delta_ex -0.9252412E-03 Delta_ec 0.3319586E-03 Delta_et -0.2027581E-02 Pxc 0.4240869E+01 Qxc -0.2787219E+01 3,+1 82 3 -1 -0.665179 -0.662435 -0.615809 Rho 0.2131052E+00 |GRAD(Rho)| 0.3160992E-13 GRAD(Rho)x 0.1831174E-13 GRAD(Rho)y 0.1861705E-13 GRAD(Rho)z 0.1781214E-13 Laplacian 0.6240874E+00 (-1/4)Del**2(Rho)) -0.1560218E+00 Diamond 0.1825758E+01 Metallicity 0.8395072E+01 Ellipticity 0.6616495E-03 Gb(Abramov) 0.3223170E+00 Vb(Abramov) -0.4886122E+00 Hb(Abramov) -0.1662952E+00 Ex_ueg -0.9401065E-01 Ec_ueg -0.1259980E-01 Delta_ex -0.7256826E-01 Delta_ec 0.1329465E-01 Delta_et -0.1793896E+00 Pxc 0.7461282E+01 Qxc -0.5458455E+01 3,-1 83 3 -1 0.645439 -1.661696 1.833803 Rho 0.4849549E-01 |GRAD(Rho)| 0.8864192E-16 GRAD(Rho)x 0.7421597E-17 GRAD(Rho)y 0.4816716E-16 GRAD(Rho)z -0.7404211E-16 Laplacian 0.1965082E+00 (-1/4)Del**2(Rho)) -0.4912705E-01 Diamond 0.9591021E-01 Metallicity 0.2261525E+01 Ellipticity 0.3116671E-01 Gb(Abramov) 0.5126837E-01 Vb(Abramov) -0.5340970E-01 Hb(Abramov) -0.2141328E-02 Ex_ueg -0.1306131E-01 Ec_ueg -0.2331881E-02 Delta_ex -0.1606686E-01 Delta_ec 0.5884354E-02 Delta_et -0.6156235E-01 Pxc 0.5601194E+01 Qxc -0.2730438E+01 3,-1 84 3 -1 -0.593429 0.334562 0.353852 Rho 0.1608738E+00 |GRAD(Rho)| 0.7872550E-14 GRAD(Rho)x 0.3596082E-14 GRAD(Rho)y -0.5056719E-14 GRAD(Rho)z -0.4845083E-14 Laplacian 0.3965662E+00 (-1/4)Del**2(Rho)) -0.9914154E-01 Diamond 0.8914246E+00 Metallicity 0.8268746E+01 Ellipticity 0.3557290E-02 Gb(Abramov) 0.2027237E+00 Vb(Abramov) -0.3063059E+00 Hb(Abramov) -0.1035822E+00 Ex_ueg -0.6461977E-01 Ec_ueg -0.9143188E-02 Delta_ex -0.4348702E-01 Delta_ec 0.1016709E-01 Delta_et -0.1373249E+00 Pxc 0.7067532E+01 Qxc -0.4277235E+01 3,-1 85 3 -1 0.334191 -0.597265 0.361020 Rho 0.1639519E+00 |GRAD(Rho)| 0.3445657E-13 GRAD(Rho)x -0.2141690E-13 GRAD(Rho)y 0.1650936E-13 GRAD(Rho)z -0.2135445E-13 Laplacian 0.4062160E+00 (-1/4)Del**2(Rho)) -0.1015540E+00 Diamond 0.9345250E+00 Metallicity 0.8331377E+01 Ellipticity 0.4010663E-02 Gb(Abramov) 0.2087168E+00 Vb(Abramov) -0.3158796E+00 Hb(Abramov) -0.1071628E+00 Ex_ueg -0.6627356E-01 Ec_ueg -0.9342537E-02 Delta_ex -0.4475767E-01 Delta_ec 0.1037115E-01 Delta_et -0.1404487E+00 Pxc 0.7093743E+01 Qxc -0.4315594E+01 3,-1 86 3 -1 0.329008 0.315395 -0.584068 Rho 0.1587574E+00 |GRAD(Rho)| 0.6733508E-14 GRAD(Rho)x -0.5093148E-14 GRAD(Rho)y -0.2373102E-14 GRAD(Rho)z 0.3710574E-14 Laplacian 0.3887717E+00 (-1/4)Del**2(Rho)) -0.9719293E-01 Diamond 0.8599711E+00 Metallicity 0.8250400E+01 Ellipticity 0.6942241E-02 Gb(Abramov) 0.1984420E+00 Vb(Abramov) -0.2996912E+00 Hb(Abramov) -0.1012491E+00 Ex_ueg -0.6348877E-01 Ec_ueg -0.9006448E-02 Delta_ex -0.4249202E-01 Delta_ec 0.9997922E-02 Delta_et -0.1347927E+00 Pxc 0.7049257E+01 Qxc -0.4250085E+01 3,-1 87 3 +1 1.819243 1.810570 1.813180 Rho 0.1163797E-01 |GRAD(Rho)| 0.6291483E-17 GRAD(Rho)x -0.4375919E-18 GRAD(Rho)y 0.3873422E-17 GRAD(Rho)z -0.4938409E-17 Laplacian 0.5820965E-01 (-1/4)Del**2(Rho)) -0.1455241E-01 Diamond 0.2277763E-02 Metallicity 0.7075329E+00 Ellipticity -0.1251187E+01 Gb(Abramov) 0.1141766E-01 Vb(Abramov) -0.8282907E-02 Hb(Abramov) 0.3134752E-02 Ex_ueg -0.1947845E-02 Ec_ueg -0.4428821E-03 Delta_ex -0.2850672E-02 Delta_ec 0.7777205E-03 Delta_et -0.5770711E-02 Pxc 0.4398112E+01 Qxc -0.3665420E+01 3,+1 88 3 -1 1.843571 -0.529411 1.637842 Rho 0.2757598E-01 |GRAD(Rho)| 0.1862258E-16 GRAD(Rho)x -0.1739271E-16 GRAD(Rho)y 0.1112313E-17 GRAD(Rho)z 0.6561779E-17 Laplacian 0.1049517E+00 (-1/4)Del**2(Rho)) -0.2623793E-01 Diamond 0.2264564E-01 Metallicity 0.1652628E+01 Ellipticity 0.2401934E+00 Gb(Abramov) 0.2471888E-01 Vb(Abramov) -0.2319983E-01 Hb(Abramov) 0.1519052E-02 Ex_ueg -0.6153086E-02 Ec_ueg -0.1219265E-02 Delta_ex -0.7362005E-02 Delta_ec 0.2960726E-02 Delta_et -0.2657675E-01 Pxc 0.5046553E+01 Qxc -0.2486554E+01 3,-1 89 3 -1 0.443091 1.574076 -1.768990 Rho 0.6120682E-01 |GRAD(Rho)| 0.1523626E-15 GRAD(Rho)x 0.4576307E-16 GRAD(Rho)y -0.1318280E-15 GRAD(Rho)z -0.6116764E-16 Laplacian 0.2358598E+00 (-1/4)Del**2(Rho)) -0.5896494E-01 Diamond 0.1542616E+00 Metallicity 0.2777318E+01 Ellipticity 0.2900259E-01 Gb(Abramov) 0.6660403E-01 Vb(Abramov) -0.7424312E-01 Hb(Abramov) -0.7639089E-02 Ex_ueg -0.1781496E-01 Ec_ueg -0.3043117E-02 Delta_ex -0.2033276E-01 Delta_ec 0.6832442E-02 Delta_et -0.7579797E-01 Pxc 0.5854181E+01 Qxc -0.2975914E+01 3,-1 90 3 +1 1.472325 -0.611803 -0.591029 Rho 0.1052864E-01 |GRAD(Rho)| 0.3821026E-15 GRAD(Rho)x -0.8157817E-16 GRAD(Rho)y 0.3352638E-15 GRAD(Rho)z -0.1641510E-15 Laplacian 0.4255687E-01 (-1/4)Del**2(Rho)) -0.1063922E-01 Diamond 0.1428816E-02 Metallicity 0.8189628E+00 Ellipticity -0.1427812E+01 Gb(Abramov) 0.8544999E-02 Vb(Abramov) -0.6450781E-02 Hb(Abramov) 0.2094219E-02 Ex_ueg -0.1704309E-02 Ec_ueg -0.3920793E-03 Delta_ex -0.2022420E-02 Delta_ec 0.5544371E-03 Delta_et -0.4023992E-02 Pxc 0.4346847E+01 Qxc -0.3647700E+01 3,+1 91 3 -1 1.152721 -3.972825 -1.406940 Rho 0.3281756E+00 |GRAD(Rho)| 0.5119573E-15 GRAD(Rho)x 0.5019316E-15 GRAD(Rho)y -0.8538854E-16 GRAD(Rho)z -0.5360702E-16 Laplacian -0.1775812E+01 (-1/4)Del**2(Rho)) 0.4439530E+00 Diamond 0.6284251E+01 Metallicity -0.6058893E+01 Ellipticity 0.5227104E-02 Gb(Abramov) 0.1523419E+00 Vb(Abramov) -0.7486369E+00 Hb(Abramov) -0.5962949E+00 Ex_ueg -0.1671835E+00 Ec_ueg -0.2074809E-01 Delta_ex 0.1789947E+00 Delta_ec 0.6125189E-01 Delta_et -0.1471733E+01 Pxc 0.8057777E+01 Qxc 0.2922273E+01 3,-1 92 3 -1 1.790666 0.619399 -1.656629 Rho 0.5480776E-01 |GRAD(Rho)| 0.1527955E-08 GRAD(Rho)x -0.1241367E-08 GRAD(Rho)y 0.2762479E-09 GRAD(Rho)z 0.8469606E-09 Laplacian 0.2171008E+00 (-1/4)Del**2(Rho)) -0.5427521E-01 Diamond 0.1214307E+00 Metallicity 0.2510085E+01 Ellipticity 0.2912791E-01 Gb(Abramov) 0.5888937E-01 Vb(Abramov) -0.6350353E-01 Hb(Abramov) -0.4614161E-02 Ex_ueg -0.1537592E-01 Ec_ueg -0.2682303E-02 Delta_ex -0.1816535E-01 Delta_ec 0.6242722E-02 Delta_et -0.6733198E-01 Pxc 0.5732358E+01 Qxc -0.2909845E+01 3,-1 93 3 +3 2.375330 0.021769 0.056830 Rho 0.3797625E-02 |GRAD(Rho)| 0.1565185E-14 GRAD(Rho)x -0.1411224E-14 GRAD(Rho)y -0.2193837E-15 GRAD(Rho)z -0.6404064E-15 Laplacian 0.1533104E-01 (-1/4)Del**2(Rho)) -0.3832760E-02 Diamond 0.1247365E-03 Metallicity 0.4154911E+00 Ellipticity -0.3847815E+00 Gb(Abramov) 0.2820586E-02 Vb(Abramov) -0.1808413E-02 Hb(Abramov) 0.1012174E-02 Ex_ueg -0.4375905E-03 Ec_ueg -0.9554244E-04 Delta_ex -0.5597087E-03 Delta_ec 0.1900520E-03 Delta_et -0.1070948E-02 Pxc 0.4580064E+01 Qxc -0.2945029E+01 3,+3 94 3 +1 1.448411 2.062588 -0.860551 Rho 0.2366198E-01 |GRAD(Rho)| 0.1201222E-13 GRAD(Rho)x 0.5284547E-14 GRAD(Rho)y 0.1061734E-13 GRAD(Rho)z 0.1907639E-14 Laplacian 0.8950491E-01 (-1/4)Del**2(Rho)) -0.2237623E-01 Diamond 0.9578524E-02 Metallicity 0.1501475E+01 Ellipticity -0.2462257E+01 Gb(Abramov) 0.2051704E-01 Vb(Abramov) -0.1865785E-01 Hb(Abramov) 0.1859186E-02 Ex_ueg -0.5017104E-02 Ec_ueg -0.1021585E-02 Delta_ex -0.5336762E-02 Delta_ec 0.1252953E-02 Delta_et -0.1098329E-01 Pxc 0.4911095E+01 Qxc -0.4259348E+01 3,+1 95 3 -1 1.624069 1.840197 -0.557553 Rho 0.2529149E-01 |GRAD(Rho)| 0.7249196E-15 GRAD(Rho)x 0.1307664E-15 GRAD(Rho)y 0.6877722E-15 GRAD(Rho)z -0.1880901E-15 Laplacian 0.9583078E-01 (-1/4)Del**2(Rho)) -0.2395769E-01 Diamond 0.1777712E-01 Metallicity 0.1566988E+01 Ellipticity 0.3506193E+00 Gb(Abramov) 0.2222870E-01 Vb(Abramov) -0.2049970E-01 Hb(Abramov) 0.1728996E-02 Ex_ueg -0.5482993E-02 Ec_ueg -0.1103402E-02 Delta_ex -0.6517822E-02 Delta_ec 0.2588829E-02 Delta_et -0.2270157E-01 Pxc 0.4969173E+01 Qxc -0.2517672E+01 3,-1 96 3 -1 0.853660 1.856525 -2.969592 Rho 0.1265512E+00 |GRAD(Rho)| 0.1211883E-13 GRAD(Rho)x -0.5083946E-14 GRAD(Rho)y 0.9868855E-14 GRAD(Rho)z -0.4860566E-14 Laplacian 0.4795182E+00 (-1/4)Del**2(Rho)) -0.1198795E+00 Diamond 0.8069566E+00 Metallicity 0.4584077E+01 Ellipticity 0.1865427E-01 Gb(Abramov) 0.1715092E+00 Vb(Abramov) -0.2231389E+00 Hb(Abramov) -0.5162966E-01 Ex_ueg -0.4692527E-01 Ec_ueg -0.6959817E-02 Delta_ex -0.4959560E-01 Delta_ec 0.1300692E-01 Delta_et -0.1692873E+00 Pxc 0.6742314E+01 Qxc -0.3813018E+01 3,-1 97 3 -1 1.657335 -2.997134 -0.539225 Rho 0.1539833E+00 |GRAD(Rho)| 0.9406497E-13 GRAD(Rho)x 0.6310298E-13 GRAD(Rho)y 0.4216453E-13 GRAD(Rho)z 0.5557325E-13 Laplacian 0.6020229E+00 (-1/4)Del**2(Rho)) -0.1505057E+00 Diamond 0.1277258E+01 Metallicity 0.5063563E+01 Ellipticity 0.1459187E+00 Gb(Abramov) 0.2273530E+00 Vb(Abramov) -0.3042003E+00 Hb(Abramov) -0.7684729E-01 Ex_ueg -0.6095601E-01 Ec_ueg -0.8698988E-02 Delta_ex -0.6524567E-01 Delta_ec 0.1548853E-01 Delta_et -0.2076744E+00 Pxc 0.7007253E+01 Qxc -0.4212515E+01 3,-1 98 3 -1 1.880964 -2.975511 0.877487 Rho 0.1145635E+00 |GRAD(Rho)| 0.1051984E-15 GRAD(Rho)x -0.5969888E-17 GRAD(Rho)y -0.1049914E-15 GRAD(Rho)z 0.2805373E-17 Laplacian 0.4270188E+00 (-1/4)Del**2(Rho)) -0.1067547E+00 Diamond 0.6334537E+00 Metallicity 0.4360908E+01 Ellipticity 0.2226964E-01 Gb(Abramov) 0.1487610E+00 Vb(Abramov) -0.1907674E+00 Hb(Abramov) -0.4200634E-01 Ex_ueg -0.4109418E-01 Ec_ueg -0.6215407E-02 Delta_ex -0.4307673E-01 Delta_ec 0.1174773E-01 Delta_et -0.1500505E+00 Pxc 0.6611664E+01 Qxc -0.3666812E+01 3,-1 99 3 -1 2.017510 0.591783 2.743649 Rho 0.1111447E+00 |GRAD(Rho)| 0.1695590E-15 GRAD(Rho)x -0.1471601E-15 GRAD(Rho)y 0.6698337E-16 GRAD(Rho)z 0.5106253E-16 Laplacian 0.4627960E+00 (-1/4)Del**2(Rho)) -0.1156990E+00 Diamond 0.6567882E+00 Metallicity 0.3825646E+01 Ellipticity 0.3084658E-01 Gb(Abramov) 0.1509032E+00 Vb(Abramov) -0.1861075E+00 Hb(Abramov) -0.3520424E-01 Ex_ueg -0.3946724E-01 Ec_ueg -0.6004967E-02 Delta_ex -0.4627717E-01 Delta_ec 0.1268330E-01 Delta_et -0.1608951E+00 Pxc 0.6572432E+01 Qxc -0.3648668E+01 3,-1 100 3 +1 2.103020 -0.902711 1.428050 Rho 0.2464099E-01 |GRAD(Rho)| 0.3337469E-13 GRAD(Rho)x 0.1810828E-13 GRAD(Rho)y 0.1860354E-13 GRAD(Rho)z 0.2097304E-13 Laplacian 0.9417882E-01 (-1/4)Del**2(Rho)) -0.2354470E-01 Diamond 0.1088992E-01 Metallicity 0.1526711E+01 Ellipticity -0.2611652E+01 Gb(Abramov) 0.2168746E-01 Vb(Abramov) -0.1983022E-01 Hb(Abramov) 0.1857240E-02 Ex_ueg -0.5295773E-02 Ec_ueg -0.1070656E-02 Delta_ex -0.5703656E-02 Delta_ec 0.1363931E-02 Delta_et -0.1205380E-01 Pxc 0.4946289E+01 Qxc -0.4181777E+01 3,+1 101 3 -1 2.133403 0.950631 -2.871305 Rho 0.1659865E+00 |GRAD(Rho)| 0.4077090E-15 GRAD(Rho)x 0.4003688E-15 GRAD(Rho)y -0.5515879E-16 GRAD(Rho)z 0.5374932E-16 Laplacian 0.6381267E+00 (-1/4)Del**2(Rho)) -0.1595317E+00 Diamond 0.1472612E+01 Metallicity 0.5413699E+01 Ellipticity 0.5787693E-01 Gb(Abramov) 0.2502972E+00 Vb(Abramov) -0.3410627E+00 Hb(Abramov) -0.9076552E-01 Ex_ueg -0.6737240E-01 Ec_ueg -0.9474613E-02 Delta_ex -0.7037404E-01 Delta_ec 0.1597197E-01 Delta_et -0.2159447E+00 Pxc 0.7110834E+01 Qxc -0.4406096E+01 3,-1 102 3 -1 2.884972 -1.993057 0.767400 Rho 0.1009710E+00 |GRAD(Rho)| 0.3106303E-15 GRAD(Rho)x 0.1309140E-15 GRAD(Rho)y 0.1688442E-15 GRAD(Rho)z 0.2254869E-15 Laplacian 0.3993169E+00 (-1/4)Del**2(Rho)) -0.9982923E-01 Diamond 0.5047568E+00 Metallicity 0.3778241E+01 Ellipticity 0.2671389E-01 Gb(Abramov) 0.1294160E+00 Vb(Abramov) -0.1590027E+00 Hb(Abramov) -0.2958673E-01 Ex_ueg -0.3472538E-01 Ec_ueg -0.5383907E-02 Delta_ex -0.3904096E-01 Delta_ec 0.1118037E-01 Delta_et -0.1392347E+00 Pxc 0.6449848E+01 Qxc -0.3491920E+01 3,-1 103 3 -1 2.544698 -1.842313 -0.656262 Rho 0.1285560E+00 |GRAD(Rho)| 0.1227250E-11 GRAD(Rho)x -0.2058937E-12 GRAD(Rho)y -0.8942439E-12 GRAD(Rho)z 0.8149096E-12 Laplacian 0.5461158E+00 (-1/4)Del**2(Rho)) -0.1365290E+00 Diamond 0.9182459E+00 Metallicity 0.4131892E+01 Ellipticity 0.2542357E-01 Gb(Abramov) 0.1850398E+00 Vb(Abramov) -0.2335506E+00 Hb(Abramov) -0.4851083E-01 Ex_ueg -0.4791905E-01 Ec_ueg -0.7085272E-02 Delta_ex -0.5647229E-01 Delta_ec 0.1435880E-01 Delta_et -0.1866692E+00 Pxc 0.6763191E+01 Qxc -0.3932940E+01 3,-1 104 3 -1 3.492864 0.148043 3.008038 Rho 0.2481325E+00 |GRAD(Rho)| 0.4609087E-12 GRAD(Rho)x -0.3398108E-12 GRAD(Rho)y -0.7662390E-13 GRAD(Rho)z -0.3018182E-12 Laplacian 0.8616686E+00 (-1/4)Del**2(Rho)) -0.2154172E+00 Diamond 0.3208227E+01 Metallicity 0.7835721E+01 Ellipticity 0.4624501E-02 Gb(Abramov) 0.4249362E+00 Vb(Abramov) -0.6344553E+00 Hb(Abramov) -0.2095191E+00 Ex_ueg -0.1151587E+00 Ec_ueg -0.1500310E-01 Delta_ex -0.1052023E+00 Delta_ec 0.1917372E-01 Delta_et -0.2673585E+00 Pxc 0.7675658E+01 Qxc -0.5486795E+01 3,-1 105 3 -1 2.939693 0.698361 1.731474 Rho 0.1670231E+00 |GRAD(Rho)| 0.2009089E-12 GRAD(Rho)x -0.2952865E-14 GRAD(Rho)y -0.1481451E-12 GRAD(Rho)z 0.1356787E-12 Laplacian 0.7001571E+00 (-1/4)Del**2(Rho)) -0.1750393E+00 Diamond 0.1590348E+01 Metallicity 0.4985534E+01 Ellipticity 0.3232074E-01 Gb(Abramov) 0.2621369E+00 Vb(Abramov) -0.3492345E+00 Hb(Abramov) -0.8709762E-01 Ex_ueg -0.6793396E-01 Ec_ueg -0.9541997E-02 Delta_ex -0.7701051E-01 Delta_ec 0.1691831E-01 Delta_et -0.2273781E+00 Pxc 0.7119471E+01 Qxc -0.4551904E+01 3,-1 106 3 -1 0.594382 2.745026 2.020822 Rho 0.1059746E+00 |GRAD(Rho)| 0.1830291E-15 GRAD(Rho)x 0.1081932E-15 GRAD(Rho)y 0.9247567E-16 GRAD(Rho)z -0.1150745E-15 Laplacian 0.4425735E+00 (-1/4)Del**2(Rho)) -0.1106434E+00 Diamond 0.5938050E+00 Metallicity 0.3695136E+01 Ellipticity 0.3425275E-01 Gb(Abramov) 0.1419026E+00 Vb(Abramov) -0.1731619E+00 Hb(Abramov) -0.3125926E-01 Ex_ueg -0.3703854E-01 Ec_ueg -0.5688369E-02 Delta_ex -0.4377402E-01 Delta_ec 0.1228103E-01 Delta_et -0.1544229E+00 Pxc 0.6511276E+01 Qxc -0.3564359E+01 3,-1 107 3 -1 3.008946 3.500022 0.132299 Rho 0.2487132E+00 |GRAD(Rho)| 0.2291856E-13 GRAD(Rho)x -0.1520225E-13 GRAD(Rho)y -0.1675179E-13 GRAD(Rho)z -0.3678224E-14 Laplacian 0.8572402E+00 (-1/4)Del**2(Rho)) -0.2143101E+00 Diamond 0.3205028E+01 Metallicity 0.7906944E+01 Ellipticity 0.4042135E-02 Gb(Abramov) 0.4252963E+00 Vb(Abramov) -0.6362826E+00 Hb(Abramov) -0.2109863E+00 Ex_ueg -0.1155181E+00 Ec_ueg -0.1504351E-01 Delta_ex -0.1047474E+00 Delta_ec 0.1910079E-01 Delta_et -0.2665385E+00 Pxc 0.7678935E+01 Qxc -0.5483931E+01 3,-1 108 3 -1 -0.115484 3.046678 -3.169295 Rho 0.2616389E+00 |GRAD(Rho)| 0.4736776E-15 GRAD(Rho)x -0.8516408E-16 GRAD(Rho)y 0.2970714E-15 GRAD(Rho)z -0.3589793E-15 Laplacian 0.9824810E+00 (-1/4)Del**2(Rho)) -0.2456202E+00 Diamond 0.3828142E+01 Metallicity 0.7506880E+01 Ellipticity 0.1177151E-02 Gb(Abramov) 0.4710538E+00 Vb(Abramov) -0.6964873E+00 Hb(Abramov) -0.2254335E+00 Ex_ueg -0.1235914E+00 Ec_ueg -0.1594776E-01 Delta_ex -0.1212947E+00 Delta_ec 0.2091282E-01 Delta_et -0.2890944E+00 Pxc 0.7749763E+01 Qxc -0.5800013E+01 3,-1 109 3 -1 2.737525 -0.444288 -1.765730 Rho 0.1509164E+00 |GRAD(Rho)| 0.2546360E-15 GRAD(Rho)x -0.4865696E-16 GRAD(Rho)y -0.2269235E-15 GRAD(Rho)z -0.1047746E-15 Laplacian 0.6426394E+00 (-1/4)Del**2(Rho)) -0.1606598E+00 Diamond 0.1309823E+01 Metallicity 0.4587118E+01 Ellipticity 0.1799637E-01 Gb(Abramov) 0.2299342E+00 Vb(Abramov) -0.2992085E+00 Hb(Abramov) -0.6927432E-01 Ex_ueg -0.5934265E-01 Ec_ueg -0.8502202E-02 Delta_ex -0.6909662E-01 Delta_ec 0.1624444E-01 Delta_et -0.2163441E+00 Pxc 0.6979680E+01 Qxc -0.4253555E+01 3,-1 110 3 -1 3.101447 -0.789720 1.884640 Rho 0.1656393E+00 |GRAD(Rho)| 0.2731175E-15 GRAD(Rho)x 0.7912643E-16 GRAD(Rho)y 0.2459242E-15 GRAD(Rho)z 0.8861998E-16 Laplacian 0.6317323E+00 (-1/4)Del**2(Rho)) -0.1579331E+00 Diamond 0.1438159E+01 Metallicity 0.5449447E+01 Ellipticity 0.5303035E-01 Gb(Abramov) 0.2487301E+00 Vb(Abramov) -0.3395270E+00 Hb(Abramov) -0.9079697E-01 Ex_ueg -0.6718458E-01 Ec_ueg -0.9452060E-02 Delta_ex -0.6949267E-01 Delta_ec 0.1557049E-01 Delta_et -0.2098054E+00 Pxc 0.7107931E+01 Qxc -0.4463101E+01 3,-1 111 3 -1 2.751199 2.020048 0.586438 Rho 0.1087106E+00 |GRAD(Rho)| 0.5509168E-12 GRAD(Rho)x 0.4232098E-12 GRAD(Rho)y -0.3309806E-12 GRAD(Rho)z -0.1218796E-12 Laplacian 0.4517475E+00 (-1/4)Del**2(Rho)) -0.1129369E+00 Diamond 0.6246528E+00 Metallicity 0.3777203E+01 Ellipticity 0.3509796E-01 Gb(Abramov) 0.1463888E+00 Vb(Abramov) -0.1798408E+00 Hb(Abramov) -0.3345196E-01 Ex_ueg -0.3831899E-01 Ec_ueg -0.5855662E-02 Delta_ex -0.4494382E-01 Delta_ec 0.1245410E-01 Delta_et -0.1573489E+00 Pxc 0.6543921E+01 Qxc -0.3608757E+01 3,-1 112 3 -1 1.740478 2.934605 0.690571 Rho 0.1688249E+00 |GRAD(Rho)| 0.9015856E-15 GRAD(Rho)x 0.6975486E-15 GRAD(Rho)y -0.9164219E-16 GRAD(Rho)z -0.5638122E-15 Laplacian 0.7059538E+00 (-1/4)Del**2(Rho)) -0.1764885E+00 Diamond 0.1623523E+01 Metallicity 0.5033820E+01 Ellipticity 0.3218340E-01 Gb(Abramov) 0.2657275E+00 Vb(Abramov) -0.3549665E+00 Hb(Abramov) -0.8923904E-01 Ex_ueg -0.6891288E-01 Ec_ueg -0.9659277E-02 Delta_ex -0.7785036E-01 Delta_ec 0.1699887E-01 Delta_et -0.2287032E+00 Pxc 0.7134372E+01 Qxc -0.4579738E+01 3,-1 113 3 -1 3.419511 0.174212 -2.970656 Rho 0.2565626E+00 |GRAD(Rho)| 0.4196099E-15 GRAD(Rho)x 0.3872770E-15 GRAD(Rho)y -0.9128982E-16 GRAD(Rho)z -0.1332484E-15 Laplacian 0.9500060E+00 (-1/4)Del**2(Rho)) -0.2375015E+00 Diamond 0.3603254E+01 Metallicity 0.7514076E+01 Ellipticity 0.3303826E-02 Gb(Abramov) 0.4557684E+00 Vb(Abramov) -0.6740353E+00 Hb(Abramov) -0.2182669E+00 Ex_ueg -0.1204045E+00 Ec_ueg -0.1559154E-01 Delta_ex -0.1166221E+00 Delta_ec 0.2024032E-01 Delta_et -0.2792518E+00 Pxc 0.7722425E+01 Qxc -0.5761868E+01 3,-1 114 3 -1 -1.982984 0.756758 2.915285 Rho 0.9606771E-01 |GRAD(Rho)| 0.3161557E-12 GRAD(Rho)x 0.1144880E-13 GRAD(Rho)y 0.1910897E-12 GRAD(Rho)z 0.2516109E-12 Laplacian 0.3793961E+00 (-1/4)Del**2(Rho)) -0.9484903E-01 Diamond 0.4515456E+00 Metallicity 0.3660014E+01 Ellipticity 0.2249310E-01 Gb(Abramov) 0.1210908E+00 Vb(Abramov) -0.1473326E+00 Hb(Abramov) -0.2624178E-01 Ex_ueg -0.3249538E-01 Ec_ueg -0.5087470E-02 Delta_ex -0.3666609E-01 Delta_ec 0.1073674E-01 Delta_et -0.1323739E+00 Pxc 0.6387337E+01 Qxc -0.3415010E+01 3,-1 115 3 -1 -3.008805 -0.578159 1.717171 Rho 0.1542521E+00 |GRAD(Rho)| 0.2052090E-12 GRAD(Rho)x 0.7537284E-13 GRAD(Rho)y -0.5000611E-14 GRAD(Rho)z -0.1908001E-12 Laplacian 0.6024027E+00 (-1/4)Del**2(Rho)) -0.1506007E+00 Diamond 0.1281462E+01 Metallicity 0.5075103E+01 Ellipticity 0.1411708E+00 Gb(Abramov) 0.2277861E+00 Vb(Abramov) -0.3049716E+00 Hb(Abramov) -0.7718544E-01 Ex_ueg -0.6109795E-01 Ec_ueg -0.8716265E-02 Delta_ex -0.6532171E-01 Delta_ec 0.1550390E-01 Delta_et -0.2079600E+00 Pxc 0.7009648E+01 Qxc -0.4213245E+01 3,-1 116 3 -1 -2.969893 3.400548 0.194002 Rho 0.2556990E+00 |GRAD(Rho)| 0.6149205E-15 GRAD(Rho)x 0.3036850E-15 GRAD(Rho)y -0.4904931E-15 GRAD(Rho)z 0.2128831E-15 Laplacian 0.9507931E+00 (-1/4)Del**2(Rho)) -0.2376983E+00 Diamond 0.3588754E+01 Metallicity 0.7465784E+01 Ellipticity 0.2046641E-02 Gb(Abramov) 0.4542328E+00 Vb(Abramov) -0.6707674E+00 Hb(Abramov) -0.2165346E+00 Ex_ueg -0.1198644E+00 Ec_ueg -0.1553108E-01 Delta_ex -0.1166009E+00 Delta_ec 0.2025314E-01 Delta_et -0.2792994E+00 Pxc 0.7717713E+01 Qxc -0.5757176E+01 3,-1 117 3 -1 0.970238 -2.877202 2.183239 Rho 0.1587332E+00 |GRAD(Rho)| 0.3465424E-11 GRAD(Rho)x 0.1902827E-11 GRAD(Rho)y -0.1844939E-11 GRAD(Rho)z -0.2232624E-11 Laplacian 0.6002411E+00 (-1/4)Del**2(Rho)) -0.1500603E+00 Diamond 0.1306492E+01 Metallicity 0.5342365E+01 Ellipticity 0.6301641E-01 Gb(Abramov) 0.2336530E+00 Vb(Abramov) -0.3172457E+00 Hb(Abramov) -0.8359270E-01 Ex_ueg -0.6347586E-01 Ec_ueg -0.9004886E-02 Delta_ex -0.6540868E-01 Delta_ec 0.1509028E-01 Delta_et -0.2026004E+00 Pxc 0.7049047E+01 Qxc -0.4334491E+01 3,-1 118 3 -1 0.199327 -2.977047 3.453712 Rho 0.2446864E+00 |GRAD(Rho)| 0.3176869E-15 GRAD(Rho)x -0.6093216E-16 GRAD(Rho)y 0.4900594E-16 GRAD(Rho)z -0.3079134E-15 Laplacian 0.8906410E+00 (-1/4)Del**2(Rho)) -0.2226602E+00 Diamond 0.3220437E+01 Metallicity 0.7406168E+01 Ellipticity 0.3320169E-02 Gb(Abramov) 0.4232834E+00 Vb(Abramov) -0.6239065E+00 Hb(Abramov) -0.2006231E+00 Ex_ueg -0.1130312E+00 Ec_ueg -0.1476367E-01 Delta_ex -0.1081339E+00 Delta_ec 0.1952781E-01 Delta_et -0.2705037E+00 Pxc 0.7656033E+01 Qxc -0.5537431E+01 3,-1 119 3 +1 1.254677 -2.189579 1.178959 Rho 0.3068469E-01 |GRAD(Rho)| 0.4481925E-16 GRAD(Rho)x 0.1856233E-17 GRAD(Rho)y 0.4460780E-16 GRAD(Rho)z -0.3932417E-17 Laplacian 0.1258383E+00 (-1/4)Del**2(Rho)) -0.3145959E-01 Diamond 0.2295701E-01 Metallicity 0.1646909E+01 Ellipticity -0.7190535E+01 Gb(Abramov) 0.2960824E-01 Vb(Abramov) -0.2775689E-01 Hb(Abramov) 0.1851349E-02 Ex_ueg -0.7094917E-02 Ec_ueg -0.1378978E-02 Delta_ex -0.8363107E-02 Delta_ec 0.2302269E-02 Delta_et -0.2133633E-01 Pxc 0.5145054E+01 Qxc -0.3632549E+01 3,+1 120 3 -1 0.692908 1.734213 2.938371 Rho 0.1642344E+00 |GRAD(Rho)| 0.6107361E-11 GRAD(Rho)x -0.4364464E-11 GRAD(Rho)y 0.4220771E-11 GRAD(Rho)z -0.6606098E-12 Laplacian 0.6869682E+00 (-1/4)Del**2(Rho)) -0.1717420E+00 Diamond 0.1530728E+01 Metallicity 0.4940645E+01 Ellipticity 0.2920073E-01 Gb(Abramov) 0.2559141E+00 Vb(Abramov) -0.3400862E+00 Hb(Abramov) -0.8417206E-01 Ex_ueg -0.6642589E-01 Ec_ueg -0.9360865E-02 Delta_ex -0.7525627E-01 Delta_ec 0.1669687E-01 Delta_et -0.2240337E+00 Pxc 0.7096128E+01 Qxc -0.4507210E+01 3,-1 121 3 -1 0.751226 2.870866 -1.980980 Rho 0.1088401E+00 |GRAD(Rho)| 0.3757635E-15 GRAD(Rho)x -0.2860532E-15 GRAD(Rho)y -0.1914735E-15 GRAD(Rho)z -0.1506973E-15 Laplacian 0.4340995E+00 (-1/4)Del**2(Rho)) -0.1085249E+00 Diamond 0.6046847E+00 Metallicity 0.3938572E+01 Ellipticity 0.1720315E-01 Gb(Abramov) 0.1435887E+00 Vb(Abramov) -0.1786526E+00 Hb(Abramov) -0.3506387E-01 Ex_ueg -0.3837988E-01 Ec_ueg -0.5863596E-02 Delta_ex -0.4325473E-01 Delta_ec 0.1206181E-01 Delta_et -0.1525632E+00 Pxc 0.6545451E+01 Qxc -0.3586089E+01 3,-1 122 3 -1 1.119193 -1.820873 3.225644 Rho 0.1920481E+00 |GRAD(Rho)| 0.2625226E-14 GRAD(Rho)x -0.9418735E-15 GRAD(Rho)y -0.2245328E-14 GRAD(Rho)z -0.9814198E-15 Laplacian 0.7074989E+00 (-1/4)Del**2(Rho)) -0.1768747E+00 Diamond 0.1942168E+01 Metallicity 0.6226407E+01 Ellipticity 0.5823924E-01 Gb(Abramov) 0.3014655E+00 Vb(Abramov) -0.4260562E+00 Hb(Abramov) -0.1245908E+00 Ex_ueg -0.8183362E-01 Ec_ueg -0.1118765E-01 Delta_ex -0.8090976E-01 Delta_ec 0.1700724E-01 Delta_et -0.2335416E+00 Pxc 0.7314642E+01 Qxc -0.4757371E+01 3,-1 123 3 -1 1.602911 -1.773444 0.465217 Rho 0.5526428E-01 |GRAD(Rho)| 0.6868562E-15 GRAD(Rho)x -0.4446707E-15 GRAD(Rho)y 0.4578992E-15 GRAD(Rho)z 0.2537080E-15 Laplacian 0.2158100E+00 (-1/4)Del**2(Rho)) -0.5395251E-01 Diamond 0.1258419E+00 Metallicity 0.2560250E+01 Ellipticity 0.3104861E-01 Gb(Abramov) 0.5899032E-01 Vb(Abramov) -0.6402814E-01 Hb(Abramov) -0.5037815E-02 Ex_ueg -0.1554692E-01 Ec_ueg -0.2707865E-02 Delta_ex -0.1823757E-01 Delta_ec 0.6458626E-02 Delta_et -0.6990610E-01 Pxc 0.5741394E+01 Qxc -0.2823754E+01 3,-1 124 3 -1 1.873300 3.094264 -0.793010 Rho 0.1651218E+00 |GRAD(Rho)| 0.3491229E-14 GRAD(Rho)x 0.2755202E-14 GRAD(Rho)y -0.1826325E-14 GRAD(Rho)z -0.1123423E-14 Laplacian 0.6339787E+00 (-1/4)Del**2(Rho)) -0.1584947E+00 Diamond 0.1434917E+01 Metallicity 0.5401894E+01 Ellipticity 0.5047594E-01 Gb(Abramov) 0.2483583E+00 Vb(Abramov) -0.3382220E+00 Hb(Abramov) -0.8986366E-01 Ex_ueg -0.6690487E-01 Ec_ueg -0.9418454E-02 Delta_ex -0.6965963E-01 Delta_ec 0.1559236E-01 Delta_et -0.2098985E+00 Pxc 0.7103593E+01 Qxc -0.4467549E+01 3,-1 125 3 -1 3.050512 -3.181561 -0.095968 Rho 0.2508793E+00 |GRAD(Rho)| 0.6253339E-14 GRAD(Rho)x -0.1540760E-14 GRAD(Rho)y -0.3374471E-14 GRAD(Rho)z 0.5034208E-14 Laplacian 0.9329008E+00 (-1/4)Del**2(Rho)) -0.2332252E+00 Diamond 0.3491062E+01 Metallicity 0.7371444E+01 Ellipticity 0.2590378E-02 Gb(Abramov) 0.4420179E+00 Vb(Abramov) -0.6508105E+00 Hb(Abramov) -0.2087927E+00 Ex_ueg -0.1168615E+00 Ec_ueg -0.1519441E-01 Delta_ex -0.1140835E+00 Delta_ec 0.2043311E-01 Delta_et -0.2838362E+00 Pxc 0.7691087E+01 Qxc -0.5583267E+01 3,-1 126 3 -1 3.194626 1.099121 -1.808222 Rho 0.2037354E+00 |GRAD(Rho)| 0.5233530E-15 GRAD(Rho)x -0.3876836E-15 GRAD(Rho)y -0.2981014E-15 GRAD(Rho)z -0.1863744E-15 Laplacian 0.7541941E+00 (-1/4)Del**2(Rho)) -0.1885485E+00 Diamond 0.2233841E+01 Metallicity 0.6445268E+01 Ellipticity 0.5538283E-01 Gb(Abramov) 0.3282400E+00 Vb(Abramov) -0.4679314E+00 Hb(Abramov) -0.1396914E+00 Ex_ueg -0.8854019E-01 Ec_ueg -0.1196838E-01 Delta_ex -0.8762914E-01 Delta_ec 0.1797431E-01 Delta_et -0.2485808E+00 Pxc 0.7397842E+01 Qxc -0.4875243E+01 3,-1 127 3 -1 2.991452 2.216077 -0.721811 Rho 0.8816693E-01 |GRAD(Rho)| 0.1379427E-15 GRAD(Rho)x -0.8371057E-16 GRAD(Rho)y -0.3140290E-16 GRAD(Rho)z 0.1050456E-15 Laplacian 0.3505413E+00 (-1/4)Del**2(Rho)) -0.8763533E-01 Diamond 0.3726370E+00 Metallicity 0.3433340E+01 Ellipticity 0.1940892E-01 Gb(Abramov) 0.1085705E+00 Vb(Abramov) -0.1295057E+00 Hb(Abramov) -0.2093521E-01 Ex_ueg -0.2898184E-01 Ec_ueg -0.4614008E-02 Delta_ex -0.3314536E-01 Delta_ec 0.9979106E-02 Delta_et -0.1207210E+00 Pxc 0.6281273E+01 Qxc -0.3321476E+01 3,-1 128 3 -1 -4.020402 -1.419507 1.231451 Rho 0.3284369E+00 |GRAD(Rho)| 0.4569656E-13 GRAD(Rho)x 0.3124282E-13 GRAD(Rho)y 0.2818909E-13 GRAD(Rho)z 0.1781678E-13 Laplacian -0.1778036E+01 (-1/4)Del**2(Rho)) 0.4445091E+00 Diamond 0.6304657E+01 Metallicity -0.6059345E+01 Ellipticity 0.4796990E-02 Gb(Abramov) 0.1525663E+00 Vb(Abramov) -0.7496416E+00 Hb(Abramov) -0.5970754E+00 Ex_ueg -0.1673610E+00 Ec_ueg -0.2076743E-01 Delta_ex 0.1792518E+00 Delta_ec 0.6136959E-01 Delta_et -0.1474890E+01 Pxc 0.8058822E+01 Qxc 0.2920858E+01 3,-1 129 3 -1 -1.465923 1.145488 -3.958967 Rho 0.3295965E+00 |GRAD(Rho)| 0.3643794E-15 GRAD(Rho)x -0.3216739E-15 GRAD(Rho)y 0.1435888E-15 GRAD(Rho)z -0.9316939E-16 Laplacian -0.1798354E+01 (-1/4)Del**2(Rho)) 0.4495885E+00 Diamond 0.6387886E+01 Metallicity -0.6026184E+01 Ellipticity 0.3901331E-02 Gb(Abramov) 0.1518248E+00 Vb(Abramov) -0.7532382E+00 Hb(Abramov) -0.6014133E+00 Ex_ueg -0.1681494E+00 Ec_ueg -0.2085330E-01 Delta_ex 0.1816053E+00 Delta_ec 0.6197308E-01 Delta_et -0.1491917E+01 Pxc 0.8063444E+01 Qxc 0.2930390E+01 3,-1 130 3 -1 0.149364 3.015933 3.498343 Rho 0.2480869E+00 |GRAD(Rho)| 0.6862700E-13 GRAD(Rho)x -0.1208774E-13 GRAD(Rho)y -0.4600297E-13 GRAD(Rho)z -0.4946998E-13 Laplacian 0.8597463E+00 (-1/4)Del**2(Rho)) -0.2149366E+00 Diamond 0.3200574E+01 Metallicity 0.7850834E+01 Ellipticity 0.4660863E-02 Gb(Abramov) 0.4245296E+00 Vb(Abramov) -0.6341227E+00 Hb(Abramov) -0.2095930E+00 Ex_ueg -0.1151304E+00 Ec_ueg -0.1499993E-01 Delta_ex -0.1049636E+00 Delta_ec 0.1913393E-01 Delta_et -0.2668110E+00 Pxc 0.7675400E+01 Qxc -0.5485730E+01 3,-1 131 3 -1 2.229827 -0.716680 3.003852 Rho 0.8645383E-01 |GRAD(Rho)| 0.1231659E-15 GRAD(Rho)x -0.1068803E-15 GRAD(Rho)y -0.2462833E-16 GRAD(Rho)z -0.5603462E-16 Laplacian 0.3429967E+00 (-1/4)Del**2(Rho)) -0.8574918E-01 Diamond 0.3569779E+00 Metallicity 0.3395968E+01 Ellipticity 0.1756318E-01 Gb(Abramov) 0.1056997E+00 Vb(Abramov) -0.1256502E+00 Hb(Abramov) -0.1995052E-01 Ex_ueg -0.2823346E-01 Ec_ueg -0.4512063E-02 Delta_ex -0.3230553E-01 Delta_ec 0.9838922E-02 Delta_et -0.1185598E+00 Pxc 0.6257328E+01 Qxc -0.3283442E+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 83 77 122 117 118 125 89 71 79 108 96 121 61 130 120 106 62 73 123 103 97 102 98 107 95 111 112 127 124 116 64 65 53 63 52 115 57 51 114 50 88 104 105 99 110 131 92 109 113 126 101 85 45 68 75 82 86 84 128 129 91 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 13 14 14 14 14 15 16 17 23 28 13 24 33 39 41 5 15 23 25 26 34 40 16 21 22 27 35 38 13 18 28 29 39 8 15 20 27 31 40 9 16 25 32 38 16 17 24 32 35 37 13 19 20 22 29 33 15 18 30 31 34 36 17 23 28 36 36 36 43 42 44 2.369398 1.928534 1.801898 1.878446 1.708864 1.698931 2.300784 1.883812 1.934964 1.710613 1.994235 2.051080 2.633351 1.704975 1.849173 2.025708 1.848773 2.102720 2.324227 1.944622 1.891801 2.061072 2.012821 1.704132 2.669635 2.015823 1.838576 2.108790 1.861026 1.719343 2.320530 1.909929 1.877506 1.807070 2.340495 1.890686 1.927154 2.017382 2.081204 1.698786 2.624970 1.704834 1.842553 2.006960 1.861059 2.117186 2.338322 1.904753 1.718126 1.804223 1.884268 1.753045 3.075115 3.093918 3.059388 1.634627 1.766429 1.760799 0.983286 0.980901 0.983724 2.371503 1.928837 1.802279 1.879089 1.708914 1.698981 2.302210 1.885070 1.935223 1.710650 1.995164 2.051811 2.634814 1.704985 1.849745 2.026108 1.849484 2.103989 2.325840 1.944952 1.892948 2.061932 2.013877 1.704144 2.671554 2.016346 1.839134 2.110093 1.861775 1.719371 2.322453 1.910155 1.878073 1.807398 2.342061 1.891917 1.927497 2.018454 2.082061 1.698844 2.626446 1.704843 1.843134 2.007455 1.861783 2.118381 2.340188 1.905007 1.718151 1.804546 1.884840 1.753098 3.090070 3.112686 3.076305 1.634631 1.766471 1.760862 0.983553 0.981148 0.983999 30 28 26 24 23 23 29 26 26 22 26 25 31 21 23 25 26 27 27 25 25 28 25 21 29 25 22 26 24 22 31 28 26 27 30 24 26 26 25 27 31 21 23 25 24 26 29 25 21 24 25 25 34 35 33 22 25 25 20 20 21 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 Mo O W Mo Mo Mo W O O Mo 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 As O O O O O H H H 2.4296 -0.5851 2.5685 2.3825 2.4291 2.3968 2.5538 -0.6167 -0.7002 2.4420 2.3715 2.5651 -1.0942 -0.8079 -1.1043 -1.1029 -0.6257 -0.9512 -0.6160 -0.8877 -0.6177 -0.8931 -0.6658 -0.9248 -0.9871 -0.6708 -0.8867 -0.6225 -0.8753 -0.6981 -0.8681 -0.8998 -0.8383 -0.9337 -0.8734 2.1208 -0.5867 -0.8693 -0.8657 -0.8956 -0.6153 0.3127 0.3043 0.3028 1.8965 1.9981 2.1004 1.9350 1.9559 1.9412 2.0702 1.9952 1.9809 1.9588 1.9260 2.0650 1.9318 1.9752 1.9263 1.9285 1.8896 1.9350 1.9947 1.9489 1.9948 1.9489 1.8842 1.9406 1.9302 1.9847 1.9496 1.8904 1.9593 1.9812 1.9611 1.9534 1.9695 1.9523 1.9584 0.8843 1.9982 1.9617 1.9581 1.9561 1.9933 0.5900 0.5983 0.5995 6.0742 4.5467 6.0937 6.0610 6.0645 6.0515 6.0815 4.5829 4.6791 6.0541 6.0721 6.0760 5.1306 4.7959 5.1459 5.1424 4.7045 4.9901 4.5827 4.9097 4.5845 4.9156 4.7484 4.9606 5.0289 4.6441 4.9081 4.7003 4.8865 4.6766 4.8686 4.9128 4.8331 4.9455 4.8852 1.4275 4.5481 4.8692 4.8763 4.9083 4.5842 0.0973 0.0975 0.0977 3.5998 0.0403 3.2086 3.6215 3.5505 3.6105 3.2671 0.0386 0.0401 3.5451 3.6304 3.2666 0.0318 0.0368 0.0321 0.0320 0.0316 0.0261 0.0386 0.0290 0.0384 0.0286 0.0332 0.0237 0.0280 0.0419 0.0290 0.0319 0.0295 0.0403 0.0384 0.0336 0.0356 0.0359 0.0299 10.5675 0.0403 0.0384 0.0313 0.0312 0.0378 0.0000 0.0000 0.0000 0.0000 0.0000 14.0289 0.0000 0.0000 0.0000 14.0273 0.0000 0.0000 0.0000 0.0000 14.0273 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 Mo O W Mo Mo Mo W O O Mo 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 As O O O O O H H H 3.141746 -0.836021 2.552158 3.169706 3.198183 3.169213 2.495328 -0.875884 -0.716790 3.194115 3.170044 2.495914 -1.222622 -0.927196 -1.128791 -1.177006 -0.625432 -1.057425 -0.873612 -1.147649 -0.876437 -1.151832 -0.512401 -1.187808 -0.945770 -0.681138 -1.146058 -0.624103 -1.112543 -0.714259 -0.926322 -0.978813 -1.079383 -0.885368 -1.111643 2.267993 -0.837363 -0.928053 -1.109606 -1.033938 -0.879321 0.154192 0.151199 0.150796 2.372591 -0.552557 1.971091 2.390468 2.353485 2.387316 1.970826 -0.599817 -0.571744 2.353621 2.396107 1.977832 -0.975015 -0.766498 -0.843830 -0.905912 -0.754558 -0.785285 -0.588153 -0.895323 -0.597636 -0.897904 -0.693943 -0.910039 -0.683646 -0.539006 -0.896230 -0.754196 -0.874035 -0.570064 -0.757912 -0.773354 -0.837678 -0.700555 -0.873645 1.701611 -0.557624 -0.758985 -0.873052 -0.810028 -0.603978 0.439346 0.443813 0.444099 2.413715 -0.552775 2.118598 2.457864 2.572289 2.454223 2.079744 -0.568636 -0.563132 2.582437 2.458412 2.098186 -0.978469 -0.766595 -0.878843 -0.926322 -0.694076 -0.942419 -0.549233 -0.967651 -0.564946 -0.971364 -0.678357 -1.076712 -0.811410 -0.536049 -0.967105 -0.686806 -0.951317 -0.564703 -0.780825 -0.860957 -0.843553 -0.768580 -0.932992 1.711411 -0.566259 -0.785606 -0.953994 -0.867103 -0.569361 0.421605 0.380649 0.377017 -6.58970894 -9.14045911 -5.15065675 12.38957310 1.25196107 2.32133501 1.17153181 -1.15635027 2.44894068 -0.09561080 -285.0692 313.8992 -107.6170 -259.3065 -1.7160 -339.8095 Jun10-2024 15:28:31 Nodes: 1 Procs: 1 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:42 Nodes: 1 Procs: 1 Jun10-2024 15:28:47 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:53 Nodes: 1 Procs: 1 Jun10-2024 15:28:59 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:29:06 Nodes: 1 Procs: 1 Jun10-2024 15:29:12 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:17 Nodes: 1 Procs: 1 Jun10-2024 15:29:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:27 Nodes: 1 Procs: 5 *** (NO TITLE) *** 0 -11.86377637 -12.27050551 -12.05054496 -12.41532405 -12.45142387 -12.45838207 -12.46559277 -12.47402271 -12.47660552 -12.48082137 -12.48207462 -12.48436073 -12.48469800 -12.48517021 -12.48536212 -12.48578463 -12.48613002 -12.48674915 -12.48708762 -12.48739872 -12.48755332 -12.48761655 -12.48764673 -12.48769072 -12.48771137 -12.48774501 -12.48776917 GEOMETRY CONVERGED