ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:51:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.04 1.21 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 Jun19-2024 11:51:08 Nodes: 1 Procs: 1 Jun19-2024 11:51:10 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:51:12 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.03 2.48 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 Jun19-2024 11:51:08 Nodes: 1 Procs: 1 Jun19-2024 11:51:10 Nodes: 1 Procs: 1 0 Jun19-2024 11:51:12 Nodes: 1 Procs: 1 Jun19-2024 11:51:13 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:51:17 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 2.75 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun19-2024 11:51:08 Nodes: 1 Procs: 1 Jun19-2024 11:51:10 Nodes: 1 Procs: 1 0 Jun19-2024 11:51:12 Nodes: 1 Procs: 1 Jun19-2024 11:51:13 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:51:17 Nodes: 1 Procs: 1 Jun19-2024 11:51:20 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:51:23 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.03 2.09 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 Jun19-2024 11:51:08 Nodes: 1 Procs: 1 Jun19-2024 11:51:10 Nodes: 1 Procs: 1 0 Jun19-2024 11:51:12 Nodes: 1 Procs: 1 Jun19-2024 11:51:13 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:51:17 Nodes: 1 Procs: 1 Jun19-2024 11:51:20 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:51:23 Nodes: 1 Procs: 1 Jun19-2024 11:51:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:51:28 Hydrogen (TZP) c10-28 c10-28 c10-28 c10-28 c10-28 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.06 2.80 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 Jun19-2024 11:51:08 Nodes: 1 Procs: 1 Jun19-2024 11:51:10 Nodes: 1 Procs: 1 0 Jun19-2024 11:51:12 Nodes: 1 Procs: 1 Jun19-2024 11:51:13 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:51:17 Nodes: 1 Procs: 1 Jun19-2024 11:51:20 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:51:23 Nodes: 1 Procs: 1 Jun19-2024 11:51:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 11:51:28 Nodes: 1 Procs: 1 Jun19-2024 11:51:30 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:51:35 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2270.5690999999997 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun19-2024 11:51:30 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 11:51:25 1 1 Oxygen TZP 1s t21.Ta ADF 2019.304 Jun19-2024 11:51:20 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 11:51:13 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun19-2024 11:51:10 1 1 Hydrogen TZP 1 1 -14.57200853 0.77803243 0.00100000 F 0.10891551 0.00066667 F 0.77803243 0.10891551 0.30117275 0.01000000 F 0.06224385 0.00666667 F Cartesian 2270.5690999999997 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AuxInfo=1/1/N:36,13,14,15,16;19;2;8;9;17;18;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;11;1;3;4;5;6;10;12;7/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:45nWO1WWWWWO1O1WTaWO1O1O1O1O1OOOO1OO1OOO1OO1OO1OOOOOAs4O1OOOO1O1O1O1H/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s19;/rC:1.8794,-2.6459,1.7151;2.6949,-3.7387,-2.8571;-1.8125,2.4759,-1.8845;1.7945,2.524,1.8894;1.8701,-2.6531,-1.7188;1.7092,2.5475,-1.8841;-1.6948,2.6081,1.8931;2.7741,3.8293,-2.4731;-2.7228,3.8847,2.541;-.108,-.0143,3.5393;3.6832,-.1543,-.0204;-.086,-.0121,-3.5707;1.2796,-1.1209,-.0031;-1.6201,-1.1904,.011;-.1269,.8254,-1.3868;-.0928,.838,1.3745;-1.4483,-1.129,3.2642;1.284,-1.1868,-2.9291;-3.0671,1.3021,1.3563;2.9531,1.2496,-1.2871;-1.4318,-1.1285,-3.3178;3.0492,1.2581,1.3752;-3.0744,1.3015,-1.3607;1.2789,-1.178,2.9302;-1.6321,3.0242,.0146;.2434,-3.3385,1.6807;1.5792,3.0101,.0424;.2329,-3.3392,-1.674;3.5368,-1.4767,-1.4198;.1611,-.1082,-5.3265;1.3716,1.5601,-3.4368;-1.3889,1.5725,3.4742;3.5269,-1.4613,1.4044;-1.3296,1.5759,-3.5215;1.3214,1.5759,3.4417;-.2596,-.2676,-.0009;.1013,-.1018,5.3011;.0053,3.4465,2.112;2.3885,-3.4675,-.0009;.0018,3.4055,-2.0502;2.7125,-3.7213,2.8568;5.4566,.2161,-.0348;-2.7631,3.8181,-2.5406;2.8126,3.8227,2.5183;-3.0679,1.1552,.3619;/R:/0/N:36,13,14,15,16;42,26,41,2,28,17,37,21,30,19,9,23,43,44,8,33,29,22,20,39,24,18,32,34,25,35,31,38,40,27,11,1,5,10,12,7,3,4,6/E:(2,3,4,5);(2,3)(4,5)(6,7)(8,9)(12,13)/CRV:1.4,2.1,3.1,4.1,5.1;1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,11.1,12.1,13.1,14.1,15.1 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 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 -5.031 -4.957 -4.902 -4.887 -4.853 -4.788 -4.699 -4.643 -4.567 -4.510 -1.406 -1.257 -1.132 -0.994 -0.956 -0.938 -0.888 -0.795 -0.699 -0.686 A A A A A A A A A A A A A A A A A A A A 0.00000000054045 0.00036718800504 0.00027659342128 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 74 74 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 73 33 1 1.879349 -2.645856 1.715147 -1.812511 2.475880 -1.884511 1.794519 2.523994 1.889429 1.870103 -2.653079 -1.718816 1.709247 2.547457 -1.884069 -1.694765 2.608072 1.893054 -0.107965 -0.014333 3.539338 -0.086027 -0.012097 -3.570724 2.694908 -3.738706 -2.857067 2.774144 3.829287 -2.473067 -2.722824 3.884669 2.540964 1.279574 -1.120926 -0.003126 -1.620069 -1.190437 0.010960 -0.126928 0.825354 -1.386796 -0.092758 0.837967 1.374487 -1.448337 -1.129030 3.264242 1.283991 -1.186767 -2.929120 -3.067062 1.302072 1.356303 2.953090 1.249623 -1.287076 -1.431816 -1.128475 -3.317801 3.049223 1.258067 1.375188 -3.074378 1.301524 -1.360665 1.278857 -1.178004 2.930157 -1.632119 3.024192 0.014608 0.243384 -3.338548 1.680697 1.579170 3.010142 0.042410 0.232914 -3.339207 -1.673984 3.536819 -1.476687 -1.419825 0.161058 -0.108249 -5.326484 1.371552 1.560094 -3.436824 -1.388928 1.572505 3.474189 3.526856 -1.461327 1.404437 -1.329645 1.575912 -3.521520 1.321385 1.575938 3.441694 0.101300 -0.101777 5.301130 0.005325 3.446539 2.112035 2.388521 -3.467547 -0.000882 0.001778 3.405457 -2.050226 2.712494 -3.721340 2.856827 5.456625 0.216052 -0.034838 -2.763118 3.818102 -2.540607 2.812577 3.822723 2.518256 3.683228 -0.154330 -0.020399 -0.259563 -0.267617 -0.000874 -3.067877 1.155217 0.361851 1 3 -3 1.879349 -2.645856 1.715147 Rho 0.4361414E+07 3,-3 2 3 -3 -1.812511 2.475880 -1.884511 Rho 0.4361415E+07 3,-3 3 3 -3 1.794519 2.523994 1.889429 Rho 0.4361415E+07 3,-3 4 3 -3 1.870103 -2.653079 -1.718816 Rho 0.4361414E+07 3,-3 5 3 -3 1.709247 2.547457 -1.884069 Rho 0.4361415E+07 3,-3 6 3 -3 -1.694765 2.608072 1.893054 Rho 0.4361415E+07 3,-3 7 3 -3 -0.107965 -0.014333 3.539338 Rho 0.4361415E+07 3,-3 8 3 -3 -0.086027 -0.012097 -3.570724 Rho 0.4361415E+07 3,-3 9 3 -3 2.694908 -3.738706 -2.857067 Rho 0.3191540E+03 3,-3 10 3 -3 2.774144 3.829287 -2.473067 Rho 0.3191711E+03 3,-3 11 3 -3 -2.722824 3.884669 2.540964 Rho 0.3191986E+03 3,-3 12 3 -3 1.279574 -1.120926 -0.003126 Rho 0.3190061E+03 3,-3 13 3 -3 -1.620069 -1.190437 0.010960 Rho 0.3192387E+03 3,-3 14 3 -3 -0.126928 0.825354 -1.386796 Rho 0.3190153E+03 3,-3 15 3 -3 -0.092758 0.837967 1.374487 Rho 0.3190161E+03 3,-3 16 3 -3 -1.448337 -1.129030 3.264242 Rho 0.3192367E+03 3,-3 17 3 -3 1.283991 -1.186767 -2.929120 Rho 0.3188137E+03 3,-3 18 3 -3 -3.067062 1.302072 1.356303 Rho 0.3187023E+03 3,-3 19 3 -3 2.953090 1.249623 -1.287076 Rho 0.3188513E+03 3,-3 20 3 -3 -1.431816 -1.128475 -3.317801 Rho 0.3192270E+03 3,-3 21 3 -3 3.049223 1.258067 1.375188 Rho 0.3188937E+03 3,-3 22 3 -3 -3.074378 1.301524 -1.360665 Rho 0.3191498E+03 3,-3 23 3 -3 1.278857 -1.178004 2.930157 Rho 0.3188162E+03 3,-3 24 3 -3 -1.632119 3.024192 0.014608 Rho 0.3188463E+03 3,-3 25 3 -3 0.243384 -3.338548 1.680697 Rho 0.3192166E+03 3,-3 26 3 -3 1.579170 3.010142 0.042410 Rho 0.3188617E+03 3,-3 27 3 -3 0.232914 -3.339207 -1.673984 Rho 0.3192178E+03 3,-3 28 3 -3 3.536819 -1.476687 -1.419825 Rho 0.3188911E+03 3,-3 29 3 -3 0.161058 -0.108249 -5.326484 Rho 0.3191597E+03 3,-3 30 3 -3 1.371552 1.560094 -3.436824 Rho 0.3189675E+03 3,-3 31 3 -3 -1.388928 1.572505 3.474189 Rho 0.3189159E+03 3,-3 32 3 -3 3.526856 -1.461327 1.404437 Rho 0.3188891E+03 3,-3 33 3 -3 -1.329645 1.575912 -3.521520 Rho 0.3188930E+03 3,-3 34 3 -3 1.321385 1.575938 3.441694 Rho 0.3189647E+03 3,-3 35 3 -3 0.101300 -0.101777 5.301130 Rho 0.3191598E+03 3,-3 36 3 -3 0.005325 3.446539 2.112035 Rho 0.3189263E+03 3,-3 37 3 -3 2.388521 -3.467547 -0.000882 Rho 0.3188716E+03 3,-3 38 3 -3 0.001778 3.405457 -2.050226 Rho 0.3189263E+03 3,-3 39 3 -3 2.712494 -3.721340 2.856827 Rho 0.3191545E+03 3,-3 40 3 -3 5.456625 0.216052 -0.034838 Rho 0.3190535E+03 3,-3 41 3 -3 -2.763118 3.818102 -2.540607 Rho 0.3191724E+03 3,-3 42 3 -3 2.812577 3.822723 2.518256 Rho 0.3191794E+03 3,-3 43 3 -3 3.683228 -0.154330 -0.020399 Rho 0.3882647E+07 3,-3 44 3 -3 -0.259563 -0.267617 -0.000874 Rho 0.4276111E+05 3,-3 45 3 -3 -3.067877 1.155217 0.361851 Rho 0.4354095E+00 3,-3 46 3 -1 -2.208744 0.201876 -0.625406 Rho 0.7045700E-02 |GRAD(Rho)| 0.3694292E-16 GRAD(Rho)x -0.2363007E-16 GRAD(Rho)y 0.2769481E-16 GRAD(Rho)z -0.6276690E-17 Laplacian 0.2502814E-01 (-1/4)Del**2(Rho)) -0.6257036E-02 Diamond 0.9707517E-03 Metallicity 0.7129485E+00 Ellipticity 0.5812166E+00 Gb(Abramov) 0.4914848E-02 Vb(Abramov) -0.3572660E-02 Hb(Abramov) 0.1342188E-02 Ex_ueg -0.9975866E-03 Ec_ueg -0.2359827E-03 Delta_ex -0.1358062E-02 Delta_ec 0.8350364E-03 Delta_et -0.5007174E-02 Pxc 0.4227371E+01 Qxc -0.1626351E+01 3,-1 47 3 +1 -1.911335 0.377711 -0.712274 Rho 0.6852800E-02 |GRAD(Rho)| 0.3250301E-15 GRAD(Rho)x 0.3218341E-15 GRAD(Rho)y 0.3346342E-16 GRAD(Rho)z 0.3078263E-16 Laplacian 0.2457477E-01 (-1/4)Del**2(Rho)) -0.6143692E-02 Diamond 0.6630169E-03 Metallicity 0.6932723E+00 Ellipticity -0.2277096E+01 Gb(Abramov) 0.4805670E-02 Vb(Abramov) -0.3467648E-02 Hb(Abramov) 0.1338022E-02 Ex_ueg -0.9613373E-03 Ec_ueg -0.2274975E-03 Delta_ex -0.1170493E-02 Delta_ec 0.5420325E-03 Delta_et -0.3324169E-02 Pxc 0.4225705E+01 Qxc -0.2159452E+01 3,+1 48 3 -1 -3.065975 1.223533 -0.213028 Rho 0.4258255E-01 |GRAD(Rho)| 0.2470223E-13 GRAD(Rho)x 0.3066211E-14 GRAD(Rho)y 0.1975679E-13 GRAD(Rho)z 0.1450750E-13 Laplacian 0.1194992E+00 (-1/4)Del**2(Rho)) -0.2987480E-01 Diamond 0.7354294E-01 Metallicity 0.2994338E+01 Ellipticity 0.6334609E-02 Gb(Abramov) 0.3482575E-01 Vb(Abramov) -0.3977669E-01 Hb(Abramov) -0.4950944E-02 Ex_ueg -0.1098232E-01 Ec_ueg -0.2009165E-02 Delta_ex -0.1077529E-01 Delta_ec 0.5933145E-02 Delta_et -0.6033903E-01 Pxc 0.5466109E+01 Qxc -0.1816117E+01 3,-1 49 3 -1 -3.066864 1.189329 0.585342 Rho 0.3106673E+00 |GRAD(Rho)| 0.2332276E-14 GRAD(Rho)x 0.1974588E-14 GRAD(Rho)y 0.1018184E-14 GRAD(Rho)z 0.7097984E-15 Laplacian -0.1538369E+01 (-1/4)Del**2(Rho)) 0.3845923E+00 Diamond 0.5275234E+01 Metallicity -0.6383300E+01 Ellipticity 0.5596570E-02 Gb(Abramov) 0.1527665E+00 Vb(Abramov) -0.6901252E+00 Hb(Abramov) -0.5373587E+00 Ex_ueg -0.1553981E+00 Ec_ueg -0.1946113E-01 Delta_ex 0.1510963E+00 Delta_ec 0.5425882E-01 Delta_et -0.1270318E+01 Pxc 0.7985053E+01 Qxc 0.2784733E+01 3,-1 50 3 -1 -2.255532 0.183424 0.561807 Rho 0.7544811E-02 |GRAD(Rho)| 0.1669845E-14 GRAD(Rho)x -0.1225824E-14 GRAD(Rho)y -0.6281393E-15 GRAD(Rho)z 0.9440222E-15 Laplacian 0.2777042E-01 (-1/4)Del**2(Rho)) -0.6942605E-02 Diamond 0.1221631E-02 Metallicity 0.7201861E+00 Ellipticity 0.1639933E+00 Gb(Abramov) 0.5461731E-02 Vb(Abramov) -0.3980857E-02 Hb(Abramov) 0.1480874E-02 Ex_ueg -0.1092906E-02 Ec_ueg -0.2580183E-03 Delta_ex -0.1549343E-02 Delta_ec 0.9652997E-03 Delta_et -0.5894513E-02 Pxc 0.4235770E+01 Qxc -0.1605038E+01 3,-1 51 3 +3 -1.701838 1.038711 0.008519 Rho 0.4637489E-02 |GRAD(Rho)| 0.5312620E-17 GRAD(Rho)x -0.1130392E-17 GRAD(Rho)y 0.4825092E-17 GRAD(Rho)z -0.1914323E-17 Laplacian 0.1769749E-01 (-1/4)Del**2(Rho)) -0.4424373E-02 Diamond 0.1334818E-03 Metallicity 0.5021571E+00 Ellipticity -0.3863308E+00 Gb(Abramov) 0.3319870E-02 Vb(Abramov) -0.2215368E-02 Hb(Abramov) 0.1104503E-02 Ex_ueg -0.5711659E-03 Ec_ueg -0.1313460E-03 Delta_ex -0.6214017E-03 Delta_ec 0.1182694E-03 Delta_et -0.8067763E-03 Pxc 0.4348560E+01 Qxc -0.5254120E+01 3,+3 52 3 +1 0.624125 1.613106 -0.021220 Rho 0.6248648E-02 |GRAD(Rho)| 0.7819822E-16 GRAD(Rho)x -0.8334402E-17 GRAD(Rho)y -0.1243993E-16 GRAD(Rho)z 0.7675121E-16 Laplacian 0.2437376E-01 (-1/4)Del**2(Rho)) -0.6093440E-02 Diamond 0.4301595E-03 Metallicity 0.5993318E+00 Ellipticity -0.1346228E+01 Gb(Abramov) 0.4670959E-02 Vb(Abramov) -0.3248478E-02 Hb(Abramov) 0.1422481E-02 Ex_ueg -0.8500277E-03 Ec_ueg -0.2010367E-03 Delta_ex -0.1033537E-02 Delta_ec 0.3524432E-03 Delta_et -0.2208854E-02 Pxc 0.4228221E+01 Qxc -0.2932492E+01 3,+1 53 3 +1 -1.831294 0.441109 0.730946 Rho 0.6922309E-02 |GRAD(Rho)| 0.8307404E-14 GRAD(Rho)x 0.8107639E-14 GRAD(Rho)y 0.9865009E-15 GRAD(Rho)z 0.1518542E-14 Laplacian 0.2543290E-01 (-1/4)Del**2(Rho)) -0.6358224E-02 Diamond 0.6458839E-03 Metallicity 0.6812433E+00 Ellipticity -0.1855684E+01 Gb(Abramov) 0.4960732E-02 Vb(Abramov) -0.3563241E-02 Hb(Abramov) 0.1397492E-02 Ex_ueg -0.9743605E-03 Ec_ueg -0.2305530E-03 Delta_ex -0.1184201E-02 Delta_ec 0.5075503E-03 Delta_et -0.3150930E-02 Pxc 0.4226189E+01 Qxc -0.2333170E+01 3,+1 54 3 -1 -1.712337 2.753341 -0.876024 Rho 0.1256771E+00 |GRAD(Rho)| 0.2328415E-15 GRAD(Rho)x 0.2983758E-16 GRAD(Rho)y 0.9924854E-16 GRAD(Rho)z 0.2085056E-15 Laplacian 0.5154096E+00 (-1/4)Del**2(Rho)) -0.1288524E+00 Diamond 0.8512838E+00 Metallicity 0.4215871E+01 Ellipticity 0.1193062E-01 Gb(Abramov) 0.1764391E+00 Vb(Abramov) -0.2240258E+00 Hb(Abramov) -0.4758672E-01 Ex_ueg -0.4649359E-01 Ec_ueg -0.6905200E-02 Delta_ex -0.5310770E-01 Delta_ec 0.1380330E-01 Delta_et -0.1790937E+00 Pxc 0.6733127E+01 Qxc -0.3847463E+01 3,-1 55 3 -1 -2.486556 1.842796 -1.596762 Rho 0.2064230E+00 |GRAD(Rho)| 0.4556072E-14 GRAD(Rho)x 0.3031809E-14 GRAD(Rho)y 0.3187338E-14 GRAD(Rho)z -0.1186090E-14 Laplacian 0.8043408E+00 (-1/4)Del**2(Rho)) -0.2010852E+00 Diamond 0.2352272E+01 Metallicity 0.6176889E+01 Ellipticity 0.2136955E-01 Gb(Abramov) 0.3410703E+00 Vb(Abramov) -0.4810553E+00 Hb(Abramov) -0.1399851E+00 Ex_ueg -0.9010089E-01 Ec_ueg -0.1214899E-01 Delta_ex -0.9332656E-01 Delta_ec 0.1831175E-01 Delta_et -0.2507411E+00 Pxc 0.7416326E+01 Qxc -0.5096540E+01 3,-1 56 3 +1 -2.529992 1.878870 -0.037125 Rho 0.1485418E-01 |GRAD(Rho)| 0.2191645E-14 GRAD(Rho)x -0.7239798E-15 GRAD(Rho)y -0.7805171E-15 GRAD(Rho)z -0.1915713E-14 Laplacian 0.6908896E-01 (-1/4)Del**2(Rho)) -0.1727224E-01 Diamond 0.3738902E-02 Metallicity 0.8952670E+00 Ellipticity -0.1426084E+01 Gb(Abramov) 0.1409204E-01 Vb(Abramov) -0.1091183E-01 Hb(Abramov) 0.3180202E-02 Ex_ueg -0.2696809E-02 Ec_ueg -0.5928808E-03 Delta_ex -0.3600313E-02 Delta_ec 0.9075094E-03 Delta_et -0.7158074E-02 Pxc 0.4548653E+01 Qxc -0.3967246E+01 3,+1 57 3 -1 -2.410359 1.915457 1.587815 Rho 0.1368976E+00 |GRAD(Rho)| 0.2754960E-13 GRAD(Rho)x -0.1638868E-13 GRAD(Rho)y 0.1566645E-13 GRAD(Rho)z -0.1565100E-13 Laplacian 0.5185962E+00 (-1/4)Del**2(Rho)) -0.1296491E+00 Diamond 0.9540972E+00 Metallicity 0.4831812E+01 Ellipticity 0.1087717E+00 Gb(Abramov) 0.1908394E+00 Vb(Abramov) -0.2520297E+00 Hb(Abramov) -0.6119030E-01 Ex_ueg -0.5210900E-01 Ec_ueg -0.7610121E-02 Delta_ex -0.5460243E-01 Delta_ec 0.1370612E-01 Delta_et -0.1805277E+00 Pxc 0.6847328E+01 Qxc -0.3983799E+01 3,-1 58 3 +1 -0.025777 2.999754 -0.205067 Rho 0.5917336E-02 |GRAD(Rho)| 0.4722941E-17 GRAD(Rho)x 0.2093152E-17 GRAD(Rho)y 0.1307944E-17 GRAD(Rho)z 0.4026682E-17 Laplacian 0.2451940E-01 (-1/4)Del**2(Rho)) -0.6129850E-02 Diamond 0.6750333E-03 Metallicity 0.5440604E+00 Ellipticity -0.2539731E+01 Gb(Abramov) 0.4642401E-02 Vb(Abramov) -0.3154953E-02 Hb(Abramov) 0.1487449E-02 Ex_ueg -0.7904724E-03 Ec_ueg -0.1866006E-03 Delta_ex -0.1228597E-02 Delta_ec 0.7162596E-03 Delta_et -0.4113443E-02 Pxc 0.4236172E+01 Qxc -0.1715295E+01 3,+1 59 3 +1 -0.008742 2.035505 -2.863742 Rho 0.1199509E-01 |GRAD(Rho)| 0.2186040E-14 GRAD(Rho)x -0.1898292E-14 GRAD(Rho)y 0.1081580E-14 GRAD(Rho)z -0.7379748E-16 Laplacian 0.5590341E-01 (-1/4)Del**2(Rho)) -0.1397585E-01 Diamond 0.1852331E-02 Metallicity 0.7747844E+00 Ellipticity -0.1158908E+01 Gb(Abramov) 0.1112195E-01 Vb(Abramov) -0.8268042E-02 Hb(Abramov) 0.2853905E-02 Ex_ueg -0.2027947E-02 Ec_ueg -0.4593425E-03 Delta_ex -0.2635860E-02 Delta_ec 0.5261198E-03 Delta_et -0.4097975E-02 Pxc 0.4414890E+01 Qxc -0.5010000E+01 3,+1 60 3 -1 -2.324513 3.199392 -2.238886 Rho 0.2232235E+00 |GRAD(Rho)| 0.1127032E-14 GRAD(Rho)x 0.2970714E-15 GRAD(Rho)y -0.9720957E-15 GRAD(Rho)z 0.4868068E-15 Laplacian 0.8290792E+00 (-1/4)Del**2(Rho)) -0.2072698E+00 Diamond 0.2689896E+01 Metallicity 0.6827321E+01 Ellipticity 0.1392655E-01 Gb(Abramov) 0.3740295E+00 Vb(Abramov) -0.5407891E+00 Hb(Abramov) -0.1667597E+00 Ex_ueg -0.1000088E+00 Ec_ueg -0.1328712E-01 Delta_ex -0.9831411E-01 Delta_ec 0.1873256E-01 Delta_et -0.2587670E+00 Pxc 0.7526751E+01 Qxc -0.5248300E+01 3,-1 61 3 -1 -2.249194 3.296455 2.243066 Rho 0.2280994E+00 |GRAD(Rho)| 0.2284032E-13 GRAD(Rho)x -0.2242493E-13 GRAD(Rho)y 0.3811242E-14 GRAD(Rho)z -0.2068143E-14 Laplacian 0.8413510E+00 (-1/4)Del**2(Rho)) -0.2103377E+00 Diamond 0.2801460E+01 Metallicity 0.6974444E+01 Ellipticity 0.3343370E-02 Gb(Abramov) 0.3847233E+00 Vb(Abramov) -0.5591088E+00 Hb(Abramov) -0.1743855E+00 Ex_ueg -0.1029320E+00 Ec_ueg -0.1362034E-01 Delta_ex -0.1003290E+00 Delta_ec 0.1889050E-01 Delta_et -0.2612291E+00 Pxc 0.7557230E+01 Qxc -0.5311084E+01 3,-1 62 3 +1 -0.755277 1.182464 -2.415024 Rho 0.2903931E-01 |GRAD(Rho)| 0.1903863E-16 GRAD(Rho)x -0.1255089E-16 GRAD(Rho)y 0.1393783E-16 GRAD(Rho)z -0.3268253E-17 Laplacian 0.1167259E+00 (-1/4)Del**2(Rho)) -0.2918149E-01 Diamond 0.1980245E-01 Metallicity 0.1619656E+01 Ellipticity -0.6966406E+01 Gb(Abramov) 0.2733165E-01 Vb(Abramov) -0.2548182E-01 Hb(Abramov) 0.1849833E-02 Ex_ueg -0.6592245E-02 Ec_ueg -0.1294161E-02 Delta_ex -0.7649799E-02 Delta_ec 0.2145594E-02 Delta_et -0.1961784E-01 Pxc 0.5093838E+01 Qxc -0.3565352E+01 3,+1 63 3 -1 -0.846326 2.952768 -1.964141 Rho 0.1109255E+00 |GRAD(Rho)| 0.4919848E-13 GRAD(Rho)x 0.4303912E-13 GRAD(Rho)y -0.1992583E-13 GRAD(Rho)z 0.1307998E-13 Laplacian 0.4474487E+00 (-1/4)Del**2(Rho)) -0.1118622E+00 Diamond 0.6271193E+00 Metallicity 0.3943865E+01 Ellipticity 0.1740147E-01 Gb(Abramov) 0.1481030E+00 Vb(Abramov) -0.1843438E+00 Hb(Abramov) -0.3624083E-01 Ex_ueg -0.3936348E-01 Ec_ueg -0.5991502E-02 Delta_ex -0.4462665E-01 Delta_ec 0.1209851E-01 Delta_et -0.1531754E+00 Pxc 0.6569884E+01 Qxc -0.3688607E+01 3,-1 64 3 +1 -0.829034 1.583861 -0.001078 Rho 0.7522688E-02 |GRAD(Rho)| 0.9156688E-17 GRAD(Rho)x -0.3615399E-17 GRAD(Rho)y 0.1874361E-17 GRAD(Rho)z -0.8201256E-17 Laplacian 0.2962275E-01 (-1/4)Del**2(Rho)) -0.7405688E-02 Diamond 0.6432146E-03 Metallicity 0.6718560E+00 Ellipticity -0.1355499E+01 Gb(Abramov) 0.5766385E-02 Vb(Abramov) -0.4127081E-02 Hb(Abramov) 0.1639303E-02 Ex_ueg -0.1088635E-02 Ec_ueg -0.2570391E-03 Delta_ex -0.1299067E-02 Delta_ec 0.4000470E-03 Delta_et -0.2655568E-02 Pxc 0.4235291E+01 Qxc -0.3247287E+01 3,+1 65 3 +1 1.519904 0.427338 -0.822487 Rho 0.5902587E-02 |GRAD(Rho)| 0.3773435E-13 GRAD(Rho)x -0.3722171E-13 GRAD(Rho)y -0.3091147E-14 GRAD(Rho)z -0.5373135E-14 Laplacian 0.2244007E-01 (-1/4)Del**2(Rho)) -0.5610018E-02 Diamond 0.3737138E-03 Metallicity 0.5920062E+00 Ellipticity -0.1370408E+01 Gb(Abramov) 0.4293540E-02 Vb(Abramov) -0.2977061E-02 Hb(Abramov) 0.1316478E-02 Ex_ueg -0.7878465E-03 Ec_ueg -0.1859592E-03 Delta_ex -0.9437303E-03 Delta_ec 0.3339512E-03 Delta_et -0.2053519E-02 Pxc 0.4236662E+01 Qxc -0.2825953E+01 3,+1 66 3 +1 1.597046 0.428096 0.839509 Rho 0.5345011E-02 |GRAD(Rho)| 0.4797803E-17 GRAD(Rho)x -0.1022934E-17 GRAD(Rho)y 0.2811557E-17 GRAD(Rho)z 0.3750689E-17 Laplacian 0.1991489E-01 (-1/4)Del**2(Rho)) -0.4978722E-02 Diamond 0.2893972E-03 Metallicity 0.5653921E+00 Ellipticity -0.1353351E+01 Gb(Abramov) 0.3788303E-02 Vb(Abramov) -0.2597884E-02 Hb(Abramov) 0.1190419E-02 Ex_ueg -0.6902131E-03 Ec_ueg -0.1617901E-03 Delta_ex -0.8173270E-03 Delta_ec 0.2955268E-03 Delta_et -0.1770416E-02 Pxc 0.4266102E+01 Qxc -0.2765662E+01 3,+1 67 3 +1 2.118858 -0.013150 -2.055157 Rho 0.4571538E-02 |GRAD(Rho)| 0.8175131E-17 GRAD(Rho)x -0.5010318E-17 GRAD(Rho)y -0.5683380E-17 GRAD(Rho)z -0.3070615E-17 Laplacian 0.1818149E-01 (-1/4)Del**2(Rho)) -0.4545373E-02 Diamond 0.4019264E-03 Metallicity 0.4772590E+00 Ellipticity -0.5264353E+01 Gb(Abramov) 0.3391802E-02 Vb(Abramov) -0.2238231E-02 Hb(Abramov) 0.1153571E-02 Ex_ueg -0.5603613E-03 Ec_ueg -0.1285212E-03 Delta_ex -0.9158149E-03 Delta_ec 0.6211453E-03 Delta_et -0.3263878E-02 Pxc 0.4360070E+01 Qxc -0.1474397E+01 3,+1 68 3 +3 -0.015249 1.877321 -2.664098 Rho 0.1180416E-01 |GRAD(Rho)| 0.1228008E-16 GRAD(Rho)x -0.1155622E-16 GRAD(Rho)y 0.3401650E-17 GRAD(Rho)z 0.2383882E-17 Laplacian 0.5417243E-01 (-1/4)Del**2(Rho)) -0.1354311E-01 Diamond 0.1221359E-02 Metallicity 0.7784432E+00 Ellipticity -0.7178424E+00 Gb(Abramov) 0.1078583E-01 Vb(Abramov) -0.8028548E-02 Hb(Abramov) 0.2757279E-02 Ex_ueg -0.1985022E-02 Ec_ueg -0.4505361E-03 Delta_ex -0.2385171E-02 Delta_ec 0.2280289E-03 Delta_et -0.2071257E-02 Pxc 0.4405912E+01 Qxc -0.1045995E+02 3,+3 69 3 +3 1.707339 -0.008086 1.565529 Rho 0.3630734E-02 |GRAD(Rho)| 0.1917670E-14 GRAD(Rho)x -0.2374488E-15 GRAD(Rho)y -0.9421260E-15 GRAD(Rho)z -0.1653322E-14 Laplacian 0.1467002E-01 (-1/4)Del**2(Rho)) -0.3667504E-02 Diamond 0.9194335E-04 Metallicity 0.4028778E+00 Ellipticity -0.1486836E+00 Gb(Abramov) 0.2691262E-02 Vb(Abramov) -0.1715020E-02 Hb(Abramov) 0.9762420E-03 Ex_ueg -0.4121396E-03 Ec_ueg -0.8847214E-04 Delta_ex -0.5008639E-03 Delta_ec 0.1300723E-03 Delta_et -0.7787585E-03 Pxc 0.4658411E+01 Qxc -0.3850657E+01 3,+3 70 3 +1 -0.025852 2.049554 2.871594 Rho 0.1215354E-01 |GRAD(Rho)| 0.2147596E-16 GRAD(Rho)x -0.1908365E-16 GRAD(Rho)y -0.8471242E-17 GRAD(Rho)z -0.5026883E-17 Laplacian 0.5667678E-01 (-1/4)Del**2(Rho)) -0.1416920E-01 Diamond 0.1935433E-02 Metallicity 0.7811109E+00 Ellipticity -0.1173363E+01 Gb(Abramov) 0.1129075E-01 Vb(Abramov) -0.8412303E-02 Hb(Abramov) 0.2878446E-02 Ex_ueg -0.2063743E-02 Ec_ueg -0.4666616E-03 Delta_ex -0.2688572E-02 Delta_ec 0.5451516E-03 Delta_et -0.4245857E-02 Pxc 0.4422353E+01 Qxc -0.4931788E+01 3,+1 71 3 -1 -0.736606 0.829545 -3.526263 Rho 0.1190637E+00 |GRAD(Rho)| 0.2500661E-13 GRAD(Rho)x -0.9322323E-14 GRAD(Rho)y 0.9740486E-14 GRAD(Rho)z 0.2106058E-13 Laplacian 0.4577198E+00 (-1/4)Del**2(Rho)) -0.1144300E+00 Diamond 0.7091236E+00 Metallicity 0.4338231E+01 Ellipticity 0.3235013E-01 Gb(Abramov) 0.1590239E+00 Vb(Abramov) -0.2036179E+00 Hb(Abramov) -0.4459395E-01 Ex_ueg -0.4326046E-01 Ec_ueg -0.6493686E-02 Delta_ex -0.4656859E-01 Delta_ec 0.1243086E-01 Delta_et -0.1598071E+00 Pxc 0.6661926E+01 Qxc -0.3746209E+01 3,-1 72 3 +1 0.073728 2.075801 -1.700230 Rho 0.2370475E-01 |GRAD(Rho)| 0.4398756E-16 GRAD(Rho)x 0.9362940E-17 GRAD(Rho)y 0.4267436E-16 GRAD(Rho)z -0.5112729E-17 Laplacian 0.9062355E-01 (-1/4)Del**2(Rho)) -0.2265589E-01 Diamond 0.1150893E-01 Metallicity 0.1487412E+01 Ellipticity -0.4900514E+01 Gb(Abramov) 0.2072036E-01 Vb(Abramov) -0.1878484E-01 Hb(Abramov) 0.1935524E-02 Ex_ueg -0.5029201E-02 Ec_ueg -0.1023724E-02 Delta_ex -0.5614413E-02 Delta_ec 0.1640479E-02 Delta_et -0.1426527E-01 Pxc 0.4912653E+01 Qxc -0.3422422E+01 3,+1 73 3 +3 -0.022235 2.157666 -0.023423 Rho 0.4151998E-02 |GRAD(Rho)| 0.3814730E-17 GRAD(Rho)x -0.1589016E-17 GRAD(Rho)y 0.3134068E-17 GRAD(Rho)z 0.1484861E-17 Laplacian 0.1688918E-01 (-1/4)Del**2(Rho)) -0.4222294E-02 Diamond 0.1095411E-03 Metallicity 0.4376227E+00 Ellipticity -0.2591014E+00 Gb(Abramov) 0.3122825E-02 Vb(Abramov) -0.2023355E-02 Hb(Abramov) 0.1099469E-02 Ex_ueg -0.4928649E-03 Ec_ueg -0.1106043E-03 Delta_ex -0.5758380E-03 Delta_ec 0.1127689E-03 Delta_et -0.7513082E-03 Pxc 0.4456108E+01 Qxc -0.5106353E+01 3,+3 74 3 -1 -0.775675 0.826047 3.487345 Rho 0.1125491E+00 |GRAD(Rho)| 0.1575666E-15 GRAD(Rho)x -0.1466858E-15 GRAD(Rho)y -0.5714423E-16 GRAD(Rho)z 0.6713160E-17 Laplacian 0.4316481E+00 (-1/4)Del**2(Rho)) -0.1079120E+00 Diamond 0.6254923E+00 Metallicity 0.4188452E+01 Ellipticity 0.2626584E-01 Gb(Abramov) 0.1472721E+00 Vb(Abramov) -0.1866321E+00 Hb(Abramov) -0.3936005E-01 Ex_ueg -0.4013358E-01 Ec_ueg -0.6091311E-02 Delta_ex -0.4334289E-01 Delta_ec 0.1188921E-01 Delta_et -0.1513104E+00 Pxc 0.6588660E+01 Qxc -0.3645566E+01 3,-1 75 3 +1 0.721744 -0.662356 1.524200 Rho 0.8836131E-02 |GRAD(Rho)| 0.1647441E-14 GRAD(Rho)x -0.1884115E-15 GRAD(Rho)y -0.6557199E-15 GRAD(Rho)z 0.1499531E-14 Laplacian 0.3528821E-01 (-1/4)Del**2(Rho)) -0.8822052E-02 Diamond 0.9431248E-03 Metallicity 0.7374860E+00 Ellipticity -0.1387685E+01 Gb(Abramov) 0.6965724E-02 Vb(Abramov) -0.5109397E-02 Hb(Abramov) 0.1856327E-02 Ex_ueg -0.1349174E-02 Ec_ueg -0.3155576E-03 Delta_ex -0.1607236E-02 Delta_ec 0.4680442E-03 Delta_et -0.3244372E-02 Pxc 0.4275523E+01 Qxc -0.3433940E+01 3,+1 76 3 -1 -0.955668 1.617658 -1.605676 Rho 0.4634176E-01 |GRAD(Rho)| 0.4168568E-13 GRAD(Rho)x -0.4153618E-13 GRAD(Rho)y -0.3500041E-14 GRAD(Rho)z 0.4370920E-15 Laplacian 0.1752789E+00 (-1/4)Del**2(Rho)) -0.4381972E-01 Diamond 0.7878864E-01 Metallicity 0.2350559E+01 Ellipticity 0.1047874E-01 Gb(Abramov) 0.4637995E-01 Vb(Abramov) -0.4894018E-01 Hb(Abramov) -0.2560233E-02 Ex_ueg -0.1229368E-01 Ec_ueg -0.2213680E-02 Delta_ex -0.1409084E-01 Delta_ec 0.5110988E-02 Delta_et -0.5280406E-01 Pxc 0.5553501E+01 Qxc -0.2756969E+01 3,-1 77 3 -1 -0.884214 1.687221 1.605854 Rho 0.4308911E-01 |GRAD(Rho)| 0.1096703E-13 GRAD(Rho)x 0.1084872E-13 GRAD(Rho)y 0.1282472E-14 GRAD(Rho)z 0.9676267E-15 Laplacian 0.1618741E+00 (-1/4)Del**2(Rho)) -0.4046851E-01 Diamond 0.6528459E-01 Metallicity 0.2254491E+01 Ellipticity 0.2847157E-01 Gb(Abramov) 0.4218499E-01 Vb(Abramov) -0.4390147E-01 Hb(Abramov) -0.1716477E-02 Ex_ueg -0.1115685E-01 Ec_ueg -0.2036586E-02 Delta_ex -0.1274510E-01 Delta_ec 0.4664234E-02 Delta_et -0.4726146E-01 Pxc 0.5478214E+01 Qxc -0.2732516E+01 3,-1 78 3 +1 -0.765278 1.223171 2.372650 Rho 0.2841364E-01 |GRAD(Rho)| 0.2068348E-14 GRAD(Rho)x -0.1689575E-16 GRAD(Rho)y 0.5528774E-15 GRAD(Rho)z -0.1993014E-14 Laplacian 0.1139820E+00 (-1/4)Del**2(Rho)) -0.2849549E-01 Diamond 0.1879889E-01 Metallicity 0.1599515E+01 Ellipticity -0.6524675E+01 Gb(Abramov) 0.2659349E-01 Vb(Abramov) -0.2469149E-01 Hb(Abramov) 0.1902001E-02 Ex_ueg -0.6403550E-02 Ec_ueg -0.1262075E-02 Delta_ex -0.7429787E-02 Delta_ec 0.2100517E-02 Delta_et -0.1910243E-01 Pxc 0.5073828E+01 Qxc -0.3537123E+01 3,+1 79 3 -1 -0.025961 2.983907 0.075899 Rho 0.5984946E-02 |GRAD(Rho)| 0.6919480E-16 GRAD(Rho)x 0.1089488E-17 GRAD(Rho)y 0.8831781E-17 GRAD(Rho)z 0.6862021E-16 Laplacian 0.2426972E-01 (-1/4)Del**2(Rho)) -0.6067430E-02 Diamond 0.8268155E-03 Metallicity 0.5601644E+00 Ellipticity 0.3770269E+01 Gb(Abramov) 0.4611413E-02 Vb(Abramov) -0.3155396E-02 Hb(Abramov) 0.1456017E-02 Ex_ueg -0.8025376E-03 Ec_ueg -0.1895422E-03 Delta_ex -0.1327286E-02 Delta_ec 0.9024887E-03 Delta_et -0.5118142E-02 Pxc 0.4234083E+01 Qxc -0.1470695E+01 3,-1 80 3 -1 0.478764 -0.680574 -0.002234 Rho 0.1623934E+00 |GRAD(Rho)| 0.2065997E-15 GRAD(Rho)x 0.1353084E-15 GRAD(Rho)y -0.1561251E-15 GRAD(Rho)z -0.1219727E-18 Laplacian 0.3837430E+00 (-1/4)Del**2(Rho)) -0.9593576E-01 Diamond 0.8758356E+00 Metallicity 0.8680008E+01 Ellipticity 0.1987293E-02 Gb(Abramov) 0.2027444E+00 Vb(Abramov) -0.3095530E+00 Hb(Abramov) -0.1068086E+00 Ex_ueg -0.6543494E-01 Ec_ueg -0.9241536E-02 Delta_ex -0.4220946E-01 Delta_ec 0.9870208E-02 Delta_et -0.1336205E+00 Pxc 0.7080526E+01 Qxc -0.4276451E+01 3,-1 81 3 +1 0.710853 -0.660820 -1.532396 Rho 0.8735828E-02 |GRAD(Rho)| 0.1419110E-16 GRAD(Rho)x -0.1075500E-18 GRAD(Rho)y 0.1883805E-17 GRAD(Rho)z 0.1406510E-16 Laplacian 0.3497012E-01 (-1/4)Del**2(Rho)) -0.8742530E-02 Diamond 0.9297221E-03 Metallicity 0.7301680E+00 Ellipticity -0.1392035E+01 Gb(Abramov) 0.6892273E-02 Vb(Abramov) -0.5042015E-02 Hb(Abramov) 0.1850257E-02 Ex_ueg -0.1328792E-02 Ec_ueg -0.3110615E-03 Delta_ex -0.1592309E-02 Delta_ec 0.4713449E-03 Delta_et -0.3251391E-02 Pxc 0.4271799E+01 Qxc -0.3378224E+01 3,+1 82 3 +3 1.488154 0.962676 0.042710 Rho 0.3448904E-02 |GRAD(Rho)| 0.3642511E-17 GRAD(Rho)x 0.2558718E-18 GRAD(Rho)y 0.3525329E-17 GRAD(Rho)z -0.8800429E-18 Laplacian 0.1310060E-01 (-1/4)Del**2(Rho)) -0.3275151E-02 Diamond 0.6400031E-04 Metallicity 0.4141175E+00 Ellipticity -0.2819570E+00 Gb(Abramov) 0.2409484E-02 Vb(Abramov) -0.1543816E-02 Hb(Abramov) 0.8656675E-03 Ex_ueg -0.3848515E-03 Ec_ueg -0.8078592E-04 Delta_ex -0.4223652E-03 Delta_ec 0.8190419E-04 Delta_et -0.5346837E-03 Pxc 0.4763843E+01 Qxc -0.5156820E+01 3,+3 83 3 +3 -0.021033 1.884199 2.647199 Rho 0.1190131E-01 |GRAD(Rho)| 0.2236014E-14 GRAD(Rho)x -0.1090356E-15 GRAD(Rho)y -0.1533286E-14 GRAD(Rho)z -0.1623855E-14 Laplacian 0.5440191E-01 (-1/4)Del**2(Rho)) -0.1360048E-01 Diamond 0.1218927E-02 Metallicity 0.7858210E+00 Ellipticity -0.6714186E+00 Gb(Abramov) 0.1084824E-01 Vb(Abramov) -0.8096006E-02 Hb(Abramov) 0.2752236E-02 Ex_ueg -0.2006834E-02 Ec_ueg -0.4550150E-03 Delta_ex -0.2394677E-02 Delta_ec 0.2176482E-03 Delta_et -0.2005738E-02 Pxc 0.4410478E+01 Qxc -0.1100251E+02 3,+3 84 3 -1 0.047541 -0.061760 -4.517077 Rho 0.2205138E+00 |GRAD(Rho)| 0.9434764E-13 GRAD(Rho)x -0.6542939E-13 GRAD(Rho)y -0.4849264E-13 GRAD(Rho)z 0.4763334E-13 Laplacian 0.8239844E+00 (-1/4)Del**2(Rho)) -0.2059961E+00 Diamond 0.2633155E+01 Metallicity 0.6731119E+01 Ellipticity 0.1876743E-01 Gb(Abramov) 0.3684281E+00 Vb(Abramov) -0.5308601E+00 Hb(Abramov) -0.1624320E+00 Ex_ueg -0.9839345E-01 Ec_ueg -0.1310250E-01 Delta_ex -0.9739436E-01 Delta_ec 0.1866953E-01 Delta_et -0.2576717E+00 Pxc 0.7509517E+01 Qxc -0.5216754E+01 3,-1 85 3 -1 -0.107859 0.395762 -2.431120 Rho 0.5504206E-01 |GRAD(Rho)| 0.5613368E-16 GRAD(Rho)x 0.1659695E-17 GRAD(Rho)y 0.6791087E-17 GRAD(Rho)z -0.5569665E-16 Laplacian 0.2082975E+00 (-1/4)Del**2(Rho)) -0.5207439E-01 Diamond 0.1195298E+00 Metallicity 0.2634835E+01 Ellipticity 0.1979381E-01 Gb(Abramov) 0.5758416E-01 Vb(Abramov) -0.6309394E-01 Hb(Abramov) -0.5509776E-02 Ex_ueg -0.1546362E-01 Ec_ueg -0.2695419E-02 Delta_ex -0.1753667E-01 Delta_ec 0.6148145E-02 Delta_et -0.6644489E-01 Pxc 0.5737002E+01 Qxc -0.2852351E+01 3,-1 86 3 -1 -0.196641 0.256011 -0.667636 Rho 0.1588083E+00 |GRAD(Rho)| 0.4526101E-15 GRAD(Rho)x 0.1045171E-15 GRAD(Rho)y -0.3139849E-15 GRAD(Rho)z 0.3087808E-15 Laplacian 0.3699336E+00 (-1/4)Del**2(Rho)) -0.9248340E-01 Diamond 0.8242309E+00 Metallicity 0.8675170E+01 Ellipticity 0.3163401E-02 Gb(Abramov) 0.1953738E+00 Vb(Abramov) -0.2982642E+00 Hb(Abramov) -0.1028904E+00 Ex_ueg -0.6351592E-01 Ec_ueg -0.9009735E-02 Delta_ex -0.4048808E-01 Delta_ec 0.9605252E-02 Delta_et -0.1297298E+00 Pxc 0.7049699E+01 Qxc -0.4215202E+01 3,-1 87 3 -1 -0.180838 0.262560 0.660590 Rho 0.1579795E+00 |GRAD(Rho)| 0.1524313E-15 GRAD(Rho)x -0.2168404E-16 GRAD(Rho)y 0.1058181E-15 GRAD(Rho)z 0.1075529E-15 Laplacian 0.3654330E+00 (-1/4)Del**2(Rho)) -0.9135824E-01 Diamond 0.8082252E+00 Metallicity 0.8705763E+01 Ellipticity 0.4971839E-02 Gb(Abramov) 0.1934627E+00 Vb(Abramov) -0.2955671E+00 Hb(Abramov) -0.1021045E+00 Ex_ueg -0.6307436E-01 Ec_ueg -0.8956261E-02 Delta_ex -0.3993595E-01 Delta_ec 0.9486150E-02 Delta_et -0.1279930E+00 Pxc 0.7042488E+01 Qxc -0.4209922E+01 3,-1 88 3 -1 -0.101792 0.401855 2.409167 Rho 0.5696327E-01 |GRAD(Rho)| 0.4459399E-13 GRAD(Rho)x 0.3189924E-13 GRAD(Rho)y 0.3116009E-13 GRAD(Rho)z -0.3341952E-15 Laplacian 0.2144443E+00 (-1/4)Del**2(Rho)) -0.5361108E-01 Diamond 0.1288591E+00 Metallicity 0.2709922E+01 Ellipticity 0.2080641E-01 Gb(Abramov) 0.5995437E-01 Vb(Abramov) -0.6629765E-01 Hb(Abramov) -0.6343281E-02 Ex_ueg -0.1618744E-01 Ec_ueg -0.2803246E-02 Delta_ex -0.1820968E-01 Delta_ec 0.6323078E-02 Delta_et -0.6893520E-01 Pxc 0.5774536E+01 Qxc -0.2879876E+01 3,-1 89 3 -1 0.005218 -0.059005 4.488937 Rho 0.2201556E+00 |GRAD(Rho)| 0.9822385E-15 GRAD(Rho)x 0.1166195E-15 GRAD(Rho)y -0.5529770E-16 GRAD(Rho)z 0.9737220E-15 Laplacian 0.8238206E+00 (-1/4)Del**2(Rho)) -0.2059552E+00 Diamond 0.2626933E+01 Metallicity 0.6714239E+01 Ellipticity 0.1972507E-01 Gb(Abramov) 0.3677755E+00 Vb(Abramov) -0.5295958E+00 Hb(Abramov) -0.1618203E+00 Ex_ueg -0.9818040E-01 Ec_ueg -0.1307813E-01 Delta_ex -0.9733076E-01 Delta_ec 0.1866855E-01 Delta_et -0.2576112E+00 Pxc 0.7507222E+01 Qxc -0.5213621E+01 3,-1 90 3 -1 0.675916 0.815494 -3.483064 Rho 0.8606881E-01 |GRAD(Rho)| 0.1992663E-15 GRAD(Rho)x -0.1976568E-15 GRAD(Rho)y -0.8148457E-17 GRAD(Rho)z 0.2392572E-16 Laplacian 0.3463361E+00 (-1/4)Del**2(Rho)) -0.8658404E-01 Diamond 0.3549191E+00 Metallicity 0.3338298E+01 Ellipticity 0.2059258E-01 Gb(Abramov) 0.1058966E+00 Vb(Abramov) -0.1252091E+00 Hb(Abramov) -0.1931253E-01 Ex_ueg -0.2806593E-01 Ec_ueg -0.4489187E-02 Delta_ex -0.3251175E-01 Delta_ec 0.9810057E-02 Delta_et -0.1179725E+00 Pxc 0.6251897E+01 Qxc -0.3314125E+01 3,-1 91 3 +1 -0.025495 2.985938 0.227233 Rho 0.5972164E-02 |GRAD(Rho)| 0.2127919E-16 GRAD(Rho)x -0.1869445E-16 GRAD(Rho)y -0.8790423E-17 GRAD(Rho)z 0.5103920E-17 Laplacian 0.2480521E-01 (-1/4)Del**2(Rho)) -0.6201303E-02 Diamond 0.7418389E-03 Metallicity 0.5461222E+00 Ellipticity -0.3933024E+01 Gb(Abramov) 0.4698647E-02 Vb(Abramov) -0.3195991E-02 Hb(Abramov) 0.1502656E-02 Ex_ueg -0.8002532E-03 Ec_ueg -0.1889859E-03 Delta_ex -0.1282178E-02 Delta_ec 0.7905443E-03 Delta_et -0.4524447E-02 Pxc 0.4234459E+01 Qxc -0.1621892E+01 3,+1 92 3 +1 0.208481 2.095076 1.720947 Rho 0.2181747E-01 |GRAD(Rho)| 0.3715047E-14 GRAD(Rho)x 0.3014548E-14 GRAD(Rho)y 0.1953183E-14 GRAD(Rho)z 0.9482391E-15 Laplacian 0.7963878E-01 (-1/4)Del**2(Rho)) -0.1990969E-01 Diamond 0.7865392E-02 Metallicity 0.1473995E+01 Ellipticity -0.2680002E+01 Gb(Abramov) 0.1816426E-01 Vb(Abramov) -0.1641883E-01 Hb(Abramov) 0.1745433E-02 Ex_ueg -0.4502541E-02 Ec_ueg -0.9298539E-03 Delta_ex -0.4676572E-02 Delta_ec 0.1172128E-02 Delta_et -0.1006183E-01 Pxc 0.4842203E+01 Qxc -0.3989814E+01 3,+1 93 3 -1 0.634693 -0.640058 -3.215570 Rho 0.1491094E+00 |GRAD(Rho)| 0.3108012E-15 GRAD(Rho)x 0.1102634E-15 GRAD(Rho)y -0.2780436E-15 GRAD(Rho)z 0.8444580E-16 Laplacian 0.6163207E+00 (-1/4)Del**2(Rho)) -0.1540802E+00 Diamond 0.1239026E+01 Metallicity 0.4687936E+01 Ellipticity 0.1380354E-01 Gb(Abramov) 0.2231064E+00 Vb(Abramov) -0.2921327E+00 Hb(Abramov) -0.6902627E-01 Ex_ueg -0.5839719E-01 Ec_ueg -0.8386530E-02 Delta_ex -0.6607975E-01 Delta_ec 0.1564183E-01 Delta_et -0.2080077E+00 Pxc 0.6963212E+01 Qxc -0.4224552E+01 3,-1 94 3 +3 1.655511 -0.015442 -1.577921 Rho 0.3809023E-02 |GRAD(Rho)| 0.2000498E-17 GRAD(Rho)x -0.1999638E-17 GRAD(Rho)y -0.5694243E-19 GRAD(Rho)z -0.1403252E-19 Laplacian 0.1550095E-01 (-1/4)Del**2(Rho)) -0.3875238E-02 Diamond 0.1065359E-03 Metallicity 0.4129944E+00 Ellipticity -0.1604453E+00 Gb(Abramov) 0.2850234E-02 Vb(Abramov) -0.1825230E-02 Hb(Abramov) 0.1025004E-02 Ex_ueg -0.4393425E-03 Ec_ueg -0.9602584E-04 Delta_ex -0.5394990E-03 Delta_ec 0.1442767E-03 Delta_et -0.8638580E-03 Pxc 0.4575253E+01 Qxc -0.3739336E+01 3,+3 95 3 -1 0.621884 -0.637158 3.201318 Rho 0.1512211E+00 |GRAD(Rho)| 0.2705816E-15 GRAD(Rho)x -0.2356242E-15 GRAD(Rho)y 0.1056013E-15 GRAD(Rho)z -0.8089503E-16 Laplacian 0.6233056E+00 (-1/4)Del**2(Rho)) -0.1558264E+00 Diamond 0.1273677E+01 Metallicity 0.4745326E+01 Ellipticity 0.1649677E-01 Gb(Abramov) 0.2271255E+00 Vb(Abramov) -0.2984245E+00 Hb(Abramov) -0.7129905E-01 Ex_ueg -0.5950245E-01 Ec_ueg -0.8521727E-02 Delta_ex -0.6705290E-01 Delta_ec 0.1575095E-01 Delta_et -0.2098373E+00 Pxc 0.6982441E+01 Qxc -0.4257069E+01 3,-1 96 3 +1 1.782340 -2.287854 -0.002543 Rho 0.2799816E-01 |GRAD(Rho)| 0.9468150E-15 GRAD(Rho)x 0.6705867E-15 GRAD(Rho)y 0.3341216E-15 GRAD(Rho)z 0.5789082E-15 Laplacian 0.1095904E+00 (-1/4)Del**2(Rho)) -0.2739760E-01 Diamond 0.1703829E-01 Metallicity 0.1623266E+01 Ellipticity -0.5173217E+01 Gb(Abramov) 0.2567734E-01 Vb(Abramov) -0.2395707E-01 Hb(Abramov) 0.1720269E-02 Ex_ueg -0.6279007E-02 Ec_ueg -0.1240820E-02 Delta_ex -0.7052699E-02 Delta_ec 0.1907250E-02 Delta_et -0.1729707E-01 Pxc 0.5060370E+01 Qxc -0.3697836E+01 3,+1 97 3 -1 0.792474 2.989804 -1.963490 Rho 0.1525590E+00 |GRAD(Rho)| 0.1059298E-14 GRAD(Rho)x 0.3173460E-15 GRAD(Rho)y 0.9861496E-15 GRAD(Rho)z -0.2211637E-15 Laplacian 0.6028876E+00 (-1/4)Del**2(Rho)) -0.1507219E+00 Diamond 0.1246418E+01 Metallicity 0.4978594E+01 Ellipticity 0.3098579E-01 Gb(Abramov) 0.2255451E+00 Vb(Abramov) -0.3003683E+00 Hb(Abramov) -0.7482322E-01 Ex_ueg -0.6020543E-01 Ec_ueg -0.8607530E-02 Delta_ex -0.6501054E-01 Delta_ec 0.1522521E-01 Delta_et -0.2031332E+00 Pxc 0.6994507E+01 Qxc -0.4269928E+01 3,-1 98 3 -1 0.842160 2.996789 1.998687 Rho 0.1159176E+00 |GRAD(Rho)| 0.7189261E-13 GRAD(Rho)x -0.6364081E-13 GRAD(Rho)y 0.3256392E-13 GRAD(Rho)z 0.7614770E-14 Laplacian 0.4634519E+00 (-1/4)Del**2(Rho)) -0.1158630E+00 Diamond 0.6910318E+00 Metallicity 0.4097551E+01 Ellipticity 0.1073343E-01 Gb(Abramov) 0.1563677E+00 Vb(Abramov) -0.1968725E+00 Hb(Abramov) -0.4050474E-01 Ex_ueg -0.4174307E-01 Ec_ueg -0.6298988E-02 Delta_ex -0.4679412E-01 Delta_ec 0.1255888E-01 Delta_et -0.1605158E+00 Pxc 0.6626949E+01 Qxc -0.3725980E+01 3,-1 99 3 -1 2.740697 -2.021125 -1.549854 Rho 0.1069213E+00 |GRAD(Rho)| 0.1241284E-15 GRAD(Rho)x 0.9833714E-16 GRAD(Rho)y 0.7098136E-16 GRAD(Rho)z 0.2644437E-16 Laplacian 0.4336396E+00 (-1/4)Del**2(Rho)) -0.1084099E+00 Diamond 0.5758720E+00 Metallicity 0.3827585E+01 Ellipticity 0.8198745E-02 Gb(Abramov) 0.1414313E+00 Vb(Abramov) -0.1744527E+00 Hb(Abramov) -0.3302139E-01 Ex_ueg -0.3748040E-01 Ec_ueg -0.5746196E-02 Delta_ex -0.4278877E-01 Delta_ec 0.1166798E-01 Delta_et -0.1465022E+00 Pxc 0.6522646E+01 Qxc -0.3667197E+01 3,-1 100 3 -1 1.542162 -1.854895 -0.845246 Rho 0.5017913E-01 |GRAD(Rho)| 0.5689584E-17 GRAD(Rho)x 0.2166499E-17 GRAD(Rho)y 0.5086433E-17 GRAD(Rho)z 0.1343818E-17 Laplacian 0.1923665E+00 (-1/4)Del**2(Rho)) -0.4809163E-01 Diamond 0.9727548E-01 Metallicity 0.2445432E+01 Ellipticity 0.2019835E-01 Gb(Abramov) 0.5166189E-01 Vb(Abramov) -0.5523215E-01 Hb(Abramov) -0.3570260E-02 Ex_ueg -0.1366939E-01 Ec_ueg -0.2424778E-02 Delta_ex -0.1581773E-01 Delta_ec 0.5676799E-02 Delta_et -0.5990086E-01 Pxc 0.5637379E+01 Qxc -0.2786382E+01 3,-1 101 3 +1 0.649269 1.219938 -2.341376 Rho 0.2451037E-01 |GRAD(Rho)| 0.1053875E-15 GRAD(Rho)x 0.5549780E-16 GRAD(Rho)y 0.3008063E-16 GRAD(Rho)z -0.8439007E-16 Laplacian 0.9587778E-01 (-1/4)Del**2(Rho)) -0.2396945E-01 Diamond 0.1332217E-01 Metallicity 0.1486431E+01 Ellipticity -0.7345919E+01 Gb(Abramov) 0.2191779E-01 Vb(Abramov) -0.1986613E-01 Hb(Abramov) 0.2051659E-02 Ex_ueg -0.5258374E-02 Ec_ueg -0.1064094E-02 Delta_ex -0.6056482E-02 Delta_ec 0.1849798E-02 Delta_et -0.1619482E-01 Pxc 0.4941646E+01 Qxc -0.3274132E+01 3,+1 102 3 +1 0.708270 1.313123 2.257789 Rho 0.2527028E-01 |GRAD(Rho)| 0.3418797E-14 GRAD(Rho)x 0.2761431E-14 GRAD(Rho)y -0.2012564E-14 GRAD(Rho)z -0.1106941E-15 Laplacian 0.9749294E-01 (-1/4)Del**2(Rho)) -0.2437324E-01 Diamond 0.1369651E-01 Metallicity 0.1538120E+01 Ellipticity -0.6610380E+01 Gb(Abramov) 0.2249698E-01 Vb(Abramov) -0.2062073E-01 Hb(Abramov) 0.1876252E-02 Ex_ueg -0.5476863E-02 Ec_ueg -0.1102332E-02 Delta_ex -0.6161846E-02 Delta_ec 0.1798762E-02 Delta_et -0.1588740E-01 Pxc 0.4968433E+01 Qxc -0.3425605E+01 3,+1 103 3 -1 0.771530 1.657744 -1.617983 Rho 0.3215622E-01 |GRAD(Rho)| 0.2897577E-16 GRAD(Rho)x 0.2755504E-16 GRAD(Rho)y 0.8091706E-17 GRAD(Rho)z -0.3852147E-17 Laplacian 0.1191348E+00 (-1/4)Del**2(Rho)) -0.2978370E-01 Diamond 0.3118036E-01 Metallicity 0.1880830E+01 Ellipticity 0.4185947E-01 Gb(Abramov) 0.2919215E-01 Vb(Abramov) -0.2860059E-01 Hb(Abramov) 0.5915535E-03 Ex_ueg -0.7552170E-02 Ec_ueg -0.1455355E-02 Delta_ex -0.8638583E-02 Delta_ec 0.3288391E-02 Delta_et -0.3079385E-01 Pxc 0.5189230E+01 Qxc -0.2626994E+01 3,-1 104 3 -1 0.832223 1.650056 1.619053 Rho 0.3112296E-01 |GRAD(Rho)| 0.4185346E-14 GRAD(Rho)x -0.1154858E-14 GRAD(Rho)y 0.3770167E-14 GRAD(Rho)z 0.1403306E-14 Laplacian 0.1134155E+00 (-1/4)Del**2(Rho)) -0.2835388E-01 Diamond 0.2821238E-01 Metallicity 0.1871008E+01 Ellipticity 0.1303864E+00 Gb(Abramov) 0.2774430E-01 Vb(Abramov) -0.2713473E-01 Hb(Abramov) 0.6095716E-03 Ex_ueg -0.7230355E-02 Ec_ueg -0.1401675E-02 Delta_ex -0.8143055E-02 Delta_ec 0.3104990E-02 Delta_et -0.2881999E-01 Pxc 0.5158367E+01 Qxc -0.2622570E+01 3,-1 105 3 -1 0.986948 -3.020028 -1.691565 Rho 0.2200140E+00 |GRAD(Rho)| 0.6831790E-13 GRAD(Rho)x 0.6718270E-13 GRAD(Rho)y 0.4513778E-14 GRAD(Rho)z 0.1155191E-13 Laplacian 0.8717985E+00 (-1/4)Del**2(Rho)) -0.2179496E+00 Diamond 0.2731908E+01 Metallicity 0.6337932E+01 Ellipticity 0.1269727E-01 Gb(Abramov) 0.3755247E+00 Vb(Abramov) -0.5330998E+00 Hb(Abramov) -0.1575751E+00 Ex_ueg -0.9809619E-01 Ec_ueg -0.1306849E-01 Delta_ex -0.1027079E+00 Delta_ec 0.1926996E-01 Delta_et -0.2639686E+00 Pxc 0.7506314E+01 Qxc -0.5329946E+01 3,-1 106 3 -1 0.996833 -3.016121 1.693419 Rho 0.2193635E+00 |GRAD(Rho)| 0.2278655E-13 GRAD(Rho)x 0.2125362E-13 GRAD(Rho)y 0.8118425E-14 GRAD(Rho)z 0.1265579E-14 Laplacian 0.8704990E+00 (-1/4)Del**2(Rho)) -0.2176248E+00 Diamond 0.2716473E+01 Metallicity 0.6316146E+01 Ellipticity 0.1297917E-01 Gb(Abramov) 0.3741748E+00 Vb(Abramov) -0.5307248E+00 Hb(Abramov) -0.1565500E+00 Ex_ueg -0.9770967E-01 Ec_ueg -0.1302425E-01 Delta_ex -0.1024660E+00 Delta_ec 0.1923986E-01 Delta_et -0.2634478E+00 Pxc 0.7502135E+01 Qxc -0.5325715E+01 3,-1 107 3 +1 2.168962 -0.009383 2.091437 Rho 0.4471895E-02 |GRAD(Rho)| 0.2200839E-17 GRAD(Rho)x -0.1206002E-17 GRAD(Rho)y 0.5028672E-18 GRAD(Rho)z 0.1770983E-17 Laplacian 0.1774563E-01 (-1/4)Del**2(Rho)) -0.4436407E-02 Diamond 0.3769621E-03 Metallicity 0.4713473E+00 Ellipticity -0.4066071E+01 Gb(Abramov) 0.3306120E-02 Vb(Abramov) -0.2175832E-02 Hb(Abramov) 0.1130288E-02 Ex_ueg -0.5441356E-03 Ec_ueg -0.1242576E-03 Delta_ex -0.8860444E-03 Delta_ec 0.5987692E-03 Delta_et -0.3128160E-02 Pxc 0.4379095E+01 Qxc -0.1479776E+01 3,+1 108 3 -1 1.677957 2.767122 0.901784 Rho 0.1475260E+00 |GRAD(Rho)| 0.5567728E-14 GRAD(Rho)x 0.8879006E-15 GRAD(Rho)y -0.8636755E-15 GRAD(Rho)z 0.5428194E-14 Laplacian 0.6120407E+00 (-1/4)Del**2(Rho)) -0.1530102E+00 Diamond 0.1211521E+01 Metallicity 0.4637465E+01 Ellipticity 0.1088970E-01 Gb(Abramov) 0.2202700E+00 Vb(Abramov) -0.2875299E+00 Hb(Abramov) -0.6725984E-01 Ex_ueg -0.5757182E-01 Ec_ueg -0.8285334E-02 Delta_ex -0.6541627E-01 Delta_ec 0.1551573E-01 Delta_et -0.2058889E+00 Pxc 0.6948643E+01 Qxc -0.4216125E+01 3,-1 109 3 +1 2.503789 -1.066833 -0.517623 Rho 0.2240873E-01 |GRAD(Rho)| 0.6625886E-16 GRAD(Rho)x 0.6337613E-16 GRAD(Rho)y 0.7750573E-17 GRAD(Rho)z -0.1770962E-16 Laplacian 0.8163541E-01 (-1/4)Del**2(Rho)) -0.2040885E-01 Diamond 0.8355729E-02 Metallicity 0.1503476E+01 Ellipticity -0.2753501E+01 Gb(Abramov) 0.1871994E-01 Vb(Abramov) -0.1703103E-01 Hb(Abramov) 0.1688913E-02 Ex_ueg -0.4665964E-02 Ec_ueg -0.9591540E-03 Delta_ex -0.4827400E-02 Delta_ec 0.1199327E-02 Delta_et -0.1036145E-01 Pxc 0.4864666E+01 Qxc -0.4025092E+01 3,+1 110 3 +1 2.507573 -1.048487 0.491675 Rho 0.2270463E-01 |GRAD(Rho)| 0.4965920E-14 GRAD(Rho)x 0.4272584E-14 GRAD(Rho)y 0.2339657E-14 GRAD(Rho)z -0.9650900E-15 Laplacian 0.8283625E-01 (-1/4)Del**2(Rho)) -0.2070906E-01 Diamond 0.8543107E-02 Metallicity 0.1514433E+01 Ellipticity -0.2678528E+01 Gb(Abramov) 0.1903312E-01 Vb(Abramov) -0.1735718E-01 Hb(Abramov) 0.1675940E-02 Ex_ueg -0.4748294E-02 Ec_ueg -0.9738549E-03 Delta_ex -0.4904694E-02 Delta_ec 0.1197045E-02 Delta_et -0.1038058E-01 Pxc 0.4875771E+01 Qxc -0.4097336E+01 3,+1 111 3 -1 1.528503 2.008741 2.708891 Rho 0.1693309E+00 |GRAD(Rho)| 0.3276347E-15 GRAD(Rho)x -0.7036472E-16 GRAD(Rho)y 0.2612114E-15 GRAD(Rho)z -0.1848294E-15 Laplacian 0.6533335E+00 (-1/4)Del**2(Rho)) -0.1633334E+00 Diamond 0.1530356E+01 Metallicity 0.5466447E+01 Ellipticity 0.3760665E-01 Gb(Abramov) 0.2576978E+00 Vb(Abramov) -0.3520622E+00 Hb(Abramov) -0.9436443E-01 Ex_ueg -0.6918840E-01 Ec_ueg -0.9692245E-02 Delta_ex -0.7229179E-01 Delta_ec 0.1605905E-01 Delta_et -0.2170826E+00 Pxc 0.7138532E+01 Qxc -0.4501624E+01 3,-1 112 3 -1 1.518350 2.010061 -2.705037 Rho 0.1728195E+00 |GRAD(Rho)| 0.6359419E-15 GRAD(Rho)x -0.2825702E-16 GRAD(Rho)y -0.3195144E-15 GRAD(Rho)z -0.5491213E-15 Laplacian 0.6652700E+00 (-1/4)Del**2(Rho)) -0.1663175E+00 Diamond 0.1600495E+01 Metallicity 0.5553967E+01 Ellipticity 0.3777321E-01 Gb(Abramov) 0.2648320E+00 Vb(Abramov) -0.3633465E+00 Hb(Abramov) -0.9851448E-01 Ex_ueg -0.7109551E-01 Ec_ueg -0.9919961E-02 Delta_ex -0.7401821E-01 Delta_ec 0.1631850E-01 Delta_et -0.2212545E+00 Pxc 0.7166914E+01 Qxc -0.4535847E+01 3,-1 113 3 -1 2.363391 1.850747 -1.554701 Rho 0.1586090E+00 |GRAD(Rho)| 0.2727354E-15 GRAD(Rho)x -0.1827152E-15 GRAD(Rho)y 0.1891662E-15 GRAD(Rho)z -0.7222142E-16 Laplacian 0.6578317E+00 (-1/4)Del**2(Rho)) -0.1644579E+00 Diamond 0.1421309E+01 Metallicity 0.4868310E+01 Ellipticity 0.1468625E-01 Gb(Abramov) 0.2430773E+00 Vb(Abramov) -0.3216967E+00 Hb(Abramov) -0.7861939E-01 Ex_ueg -0.6340969E-01 Ec_ueg -0.8996875E-02 Delta_ex -0.7158551E-01 Delta_ec 0.1638966E-01 Delta_et -0.2196459E+00 Pxc 0.7047969E+01 Qxc -0.4367724E+01 3,-1 114 3 +1 2.523822 1.800619 0.049029 Rho 0.1213644E-01 |GRAD(Rho)| 0.8651249E-15 GRAD(Rho)x -0.4433766E-15 GRAD(Rho)y 0.7403308E-15 GRAD(Rho)z 0.6138865E-16 Laplacian 0.5927588E-01 (-1/4)Del**2(Rho)) -0.1481897E-01 Diamond 0.2364604E-02 Metallicity 0.7451105E+00 Ellipticity -0.1270361E+01 Gb(Abramov) 0.1171961E-01 Vb(Abramov) -0.8620247E-02 Hb(Abramov) 0.3099362E-02 Ex_ueg -0.2059872E-02 Ec_ueg -0.4658712E-03 Delta_ex -0.2908797E-02 Delta_ec 0.7451538E-03 Delta_et -0.5621395E-02 Pxc 0.4421547E+01 Qxc -0.3903619E+01 3,+1 115 3 -1 1.638676 2.777309 -0.859388 Rho 0.1253137E+00 |GRAD(Rho)| 0.7965746E-15 GRAD(Rho)x 0.7515300E-16 GRAD(Rho)y -0.1476141E-15 GRAD(Rho)z -0.7791619E-15 Laplacian 0.5194478E+00 (-1/4)Del**2(Rho)) -0.1298620E+00 Diamond 0.8503145E+00 Metallicity 0.4162962E+01 Ellipticity 0.1667259E-01 Gb(Abramov) 0.1766764E+00 Vb(Abramov) -0.2234908E+00 Hb(Abramov) -0.4681440E-01 Ex_ueg -0.4631447E-01 Ec_ueg -0.6882515E-02 Delta_ex -0.5342774E-01 Delta_ec 0.1381562E-01 Delta_et -0.1789819E+00 Pxc 0.6729294E+01 Qxc -0.3867197E+01 3,-1 116 3 -1 2.315377 -3.237928 -2.331427 Rho 0.2201529E+00 |GRAD(Rho)| 0.5796824E-15 GRAD(Rho)x -0.2769052E-15 GRAD(Rho)y -0.2911083E-16 GRAD(Rho)z 0.5084366E-15 Laplacian 0.8213231E+00 (-1/4)Del**2(Rho)) -0.2053308E+00 Diamond 0.2621437E+01 Metallicity 0.6734517E+01 Ellipticity 0.2181094E-01 Gb(Abramov) 0.3673544E+00 Vb(Abramov) -0.5293781E+00 Hb(Abramov) -0.1620237E+00 Ex_ueg -0.9817877E-01 Ec_ueg -0.1307794E-01 Delta_ex -0.9705035E-01 Delta_ec 0.1863876E-01 Delta_et -0.2573054E+00 Pxc 0.7507205E+01 Qxc -0.5206911E+01 3,-1 117 3 -1 2.138567 -3.069176 -0.800231 Rho 0.1337153E+00 |GRAD(Rho)| 0.1326184E-15 GRAD(Rho)x -0.9052411E-16 GRAD(Rho)y 0.3754050E-16 GRAD(Rho)z 0.8935181E-16 Laplacian 0.5120883E+00 (-1/4)Del**2(Rho)) -0.1280221E+00 Diamond 0.9116208E+00 Metallicity 0.4705112E+01 Ellipticity 0.4432970E-01 Gb(Abramov) 0.1857411E+00 Vb(Abramov) -0.2434601E+00 Hb(Abramov) -0.5771901E-01 Ex_ueg -0.5050019E-01 Ec_ueg -0.7409355E-02 Delta_ex -0.5356250E-01 Delta_ec 0.1352236E-01 Delta_et -0.1772693E+00 Pxc 0.6815735E+01 Qxc -0.3961033E+01 3,-1 118 3 -1 2.142738 -3.066073 0.797607 Rho 0.1341251E+00 |GRAD(Rho)| 0.2011812E-12 GRAD(Rho)x 0.5105222E-13 GRAD(Rho)y -0.8155419E-13 GRAD(Rho)z -0.1766818E-12 Laplacian 0.5127307E+00 (-1/4)Del**2(Rho)) -0.1281827E+00 Diamond 0.9165290E+00 Metallicity 0.4723246E+01 Ellipticity 0.4389130E-01 Gb(Abramov) 0.1863615E+00 Vb(Abramov) -0.2445404E+00 Hb(Abramov) -0.5817884E-01 Ex_ueg -0.5070668E-01 Ec_ueg -0.7435174E-02 Delta_ex -0.5367399E-01 Delta_ec 0.1353771E-01 Delta_et -0.1775737E+00 Pxc 0.6819838E+01 Qxc -0.3964777E+01 3,-1 119 3 -1 2.329091 -3.225223 2.329612 Rho 0.2201841E+00 |GRAD(Rho)| 0.7858509E-15 GRAD(Rho)x -0.4204536E-15 GRAD(Rho)y 0.6413598E-15 GRAD(Rho)z -0.1715750E-15 Laplacian 0.8215748E+00 (-1/4)Del**2(Rho)) -0.2053937E+00 Diamond 0.2622718E+01 Metallicity 0.6734044E+01 Ellipticity 0.2231444E-01 Gb(Abramov) 0.3674508E+00 Vb(Abramov) -0.5295080E+00 Hb(Abramov) -0.1620571E+00 Ex_ueg -0.9819732E-01 Ec_ueg -0.1308006E-01 Delta_ex -0.9708382E-01 Delta_ec 0.1864404E-01 Delta_et -0.2573817E+00 Pxc 0.7507405E+01 Qxc -0.5207231E+01 3,-1 120 3 +1 2.978173 -2.022809 -0.006744 Rho 0.1185155E-01 |GRAD(Rho)| 0.4799743E-16 GRAD(Rho)x -0.4709896E-16 GRAD(Rho)y -0.1094341E-17 GRAD(Rho)z 0.9178423E-17 Laplacian 0.5112168E-01 (-1/4)Del**2(Rho)) -0.1278042E-01 Diamond 0.1538753E-02 Metallicity 0.8304240E+00 Ellipticity -0.1154304E+01 Gb(Abramov) 0.1028914E-01 Vb(Abramov) -0.7797863E-02 Hb(Abramov) 0.2491279E-02 Ex_ueg -0.1995654E-02 Ec_ueg -0.4527203E-03 Delta_ex -0.2365052E-02 Delta_ec 0.4143682E-03 Delta_et -0.3290376E-02 Pxc 0.4408138E+01 Qxc -0.5707610E+01 3,+1 121 3 -1 2.740174 -2.009364 1.539998 Rho 0.1093344E+00 |GRAD(Rho)| 0.5841305E-16 GRAD(Rho)x -0.4720345E-16 GRAD(Rho)y -0.3374579E-16 GRAD(Rho)z -0.6718665E-17 Laplacian 0.4443600E+00 (-1/4)Del**2(Rho)) -0.1110900E+00 Diamond 0.6061544E+00 Metallicity 0.3876796E+01 Ellipticity 0.1212522E-01 Gb(Abramov) 0.1458389E+00 Vb(Abramov) -0.1805878E+00 Hb(Abramov) -0.3474887E-01 Ex_ueg -0.3861246E-01 Ec_ueg -0.5893885E-02 Delta_ex -0.4407806E-01 Delta_ec 0.1189483E-01 Delta_et -0.1499668E+00 Pxc 0.6551275E+01 Qxc -0.3705650E+01 3,-1 122 3 +3 2.758172 -1.892171 -0.007858 Rho 0.1166930E-01 |GRAD(Rho)| 0.5233649E-14 GRAD(Rho)x -0.4470855E-14 GRAD(Rho)y 0.2697976E-14 GRAD(Rho)z -0.3513699E-15 Laplacian 0.4966853E-01 (-1/4)Del**2(Rho)) -0.1241713E-01 Diamond 0.1006021E-02 Metallicity 0.8329262E+00 Ellipticity -0.7323942E+00 Gb(Abramov) 0.1000185E-01 Vb(Abramov) -0.7586563E-02 Hb(Abramov) 0.2415285E-02 Ex_ueg -0.1954841E-02 Ec_ueg -0.4443244E-03 Delta_ex -0.2150747E-02 Delta_ec 0.1576915E-03 Delta_et -0.1554090E-02 Pxc 0.4399582E+01 Qxc -0.1363895E+02 3,+3 123 3 -1 2.436949 -0.629732 -0.010014 Rho 0.2930247E-01 |GRAD(Rho)| 0.3921209E-16 GRAD(Rho)x -0.3873270E-16 GRAD(Rho)y -0.4194295E-17 GRAD(Rho)z -0.4446799E-17 Laplacian 0.1173567E+00 (-1/4)Del**2(Rho)) -0.2933918E-01 Diamond 0.2982073E-01 Metallicity 0.1635356E+01 Ellipticity 0.5148109E-01 Gb(Abramov) 0.2755612E-01 Vb(Abramov) -0.2577306E-01 Hb(Abramov) 0.1783058E-02 Ex_ueg -0.6672022E-02 Ec_ueg -0.1307684E-02 Delta_ex -0.8558815E-02 Delta_ec 0.3673303E-02 Delta_et -0.3350729E-01 Pxc 0.5102165E+01 Qxc -0.2330005E+01 3,-1 124 3 -1 2.343457 3.224723 2.229169 Rho 0.2263156E+00 |GRAD(Rho)| 0.1550157E-10 GRAD(Rho)x 0.8919299E-11 GRAD(Rho)y 0.1141477E-10 GRAD(Rho)z 0.5517951E-11 Laplacian 0.8190090E+00 (-1/4)Del**2(Rho)) -0.2047522E+00 Diamond 0.2711591E+01 Metallicity 0.7071562E+01 Ellipticity 0.3425248E-02 Gb(Abramov) 0.3778212E+00 Vb(Abramov) -0.5508901E+00 Hb(Abramov) -0.1730689E+00 Ex_ueg -0.1018602E+00 Ec_ueg -0.1349828E-01 Delta_ex -0.9752453E-01 Delta_ec 0.1853503E-01 Delta_et -0.2566421E+00 Pxc 0.7546158E+01 Qxc -0.5261632E+01 3,-1 125 3 -1 1.546178 -1.851274 0.840564 Rho 0.5020444E-01 |GRAD(Rho)| 0.1718911E-14 GRAD(Rho)x -0.3572920E-15 GRAD(Rho)y -0.1013469E-14 GRAD(Rho)z 0.1341595E-14 Laplacian 0.1926716E+00 (-1/4)Del**2(Rho)) -0.4816791E-01 Diamond 0.9746931E-01 Metallicity 0.2443612E+01 Ellipticity 0.2163425E-01 Gb(Abramov) 0.5172922E-01 Vb(Abramov) -0.5529053E-01 Hb(Abramov) -0.3561310E-02 Ex_ueg -0.1367859E-01 Ec_ueg -0.2426178E-02 Delta_ex -0.1584367E-01 Delta_ec 0.5683695E-02 Delta_et -0.5998089E-01 Pxc 0.5637916E+01 Qxc -0.2787565E+01 3,-1 126 3 -1 3.288360 0.590052 -0.684048 Rho 0.1106771E+00 |GRAD(Rho)| 0.3494903E-15 GRAD(Rho)x 0.1664860E-15 GRAD(Rho)y -0.2752925E-15 GRAD(Rho)z 0.1365282E-15 Laplacian 0.4838926E+00 (-1/4)Del**2(Rho)) -0.1209732E+00 Diamond 0.7065934E+00 Metallicity 0.3633239E+01 Ellipticity 0.1679262E-01 Gb(Abramov) 0.1539028E+00 Vb(Abramov) -0.1868325E+00 Hb(Abramov) -0.3292969E-01 Ex_ueg -0.3924602E-01 Ec_ueg -0.5976254E-02 Delta_ex -0.4868740E-01 Delta_ec 0.1389683E-01 Delta_et -0.1770462E+00 Pxc 0.6566993E+01 Qxc -0.3503490E+01 3,-1 127 3 -1 3.341820 0.592816 0.709979 Rho 0.9540086E-01 |GRAD(Rho)| 0.1451414E-13 GRAD(Rho)x 0.6114544E-14 GRAD(Rho)y -0.1083113E-13 GRAD(Rho)z -0.7480588E-14 Laplacian 0.4197553E+00 (-1/4)Del**2(Rho)) -0.1049388E+00 Diamond 0.5164572E+00 Metallicity 0.3269922E+01 Ellipticity 0.1853636E-01 Gb(Abramov) 0.1271495E+00 Vb(Abramov) -0.1493602E+00 Hb(Abramov) -0.2221069E-01 Ex_ueg -0.3219498E-01 Ec_ueg -0.5047305E-02 Delta_ex -0.4088485E-01 Delta_ec 0.1258171E-01 Delta_et -0.1556667E+00 Pxc 0.6378647E+01 Qxc -0.3249547E+01 3,-1 128 3 -1 4.635042 0.043347 -0.028196 Rho 0.2008001E+00 |GRAD(Rho)| 0.2522106E-14 GRAD(Rho)x -0.2399014E-14 GRAD(Rho)y 0.2825973E-15 GRAD(Rho)z 0.7251822E-15 Laplacian 0.7505485E+00 (-1/4)Del**2(Rho)) -0.1876371E+00 Diamond 0.2155490E+01 Metallicity 0.6321802E+01 Ellipticity 0.4698048E-03 Gb(Abramov) 0.3227922E+00 Vb(Abramov) -0.4579473E+00 Hb(Abramov) -0.1351551E+00 Ex_ueg -0.8684342E-01 Ec_ueg -0.1177158E-01 Delta_ex -0.8668731E-01 Delta_ec 0.1760712E-01 Delta_et -0.2420033E+00 Pxc 0.7377383E+01 Qxc -0.4923423E+01 3,-1 129 3 +1 -2.360538 0.327634 -0.114534 Rho 0.6277668E-02 |GRAD(Rho)| 0.6539032E-14 GRAD(Rho)x 0.1253007E-14 GRAD(Rho)y -0.2748730E-14 GRAD(Rho)z -0.5799431E-14 Laplacian 0.2235406E-01 (-1/4)Del**2(Rho)) -0.5588515E-02 Diamond 0.4782879E-03 Metallicity 0.6585478E+00 Ellipticity -0.1735100E+01 Gb(Abramov) 0.4339061E-02 Vb(Abramov) -0.3089606E-02 Hb(Abramov) 0.1249454E-02 Ex_ueg -0.8552954E-03 Ec_ueg -0.2023037E-03 Delta_ex -0.1004693E-02 Delta_ec 0.4227312E-03 Delta_et -0.2567813E-02 Pxc 0.4227779E+01 Qxc -0.2376672E+01 3,+1 130 3 -1 -1.663566 2.810176 0.888670 Rho 0.1459165E+00 |GRAD(Rho)| 0.1413909E-11 GRAD(Rho)x 0.3471189E-13 GRAD(Rho)y 0.2767865E-12 GRAD(Rho)z -0.1386118E-11 Laplacian 0.6071093E+00 (-1/4)Del**2(Rho)) -0.1517773E+00 Diamond 0.1185033E+01 Metallicity 0.4590433E+01 Ellipticity 0.1848990E-01 Gb(Abramov) 0.2173055E+00 Vb(Abramov) -0.2828337E+00 Hb(Abramov) -0.6552816E-01 Ex_ueg -0.5673586E-01 Ec_ueg -0.8182626E-02 Delta_ex -0.6470449E-01 Delta_ec 0.1541418E-01 Delta_et -0.2041828E+00 Pxc 0.6933698E+01 Qxc -0.4197724E+01 3,-1 131 3 -1 -1.543319 1.987236 -2.744730 Rho 0.1481990E+00 |GRAD(Rho)| 0.4076348E-12 GRAD(Rho)x 0.1142639E-12 GRAD(Rho)y -0.1968521E-12 GRAD(Rho)z -0.3381703E-12 Laplacian 0.5746154E+00 (-1/4)Del**2(Rho)) -0.1436538E+00 Diamond 0.1154943E+01 Metallicity 0.4977117E+01 Ellipticity 0.5658856E-01 Gb(Abramov) 0.2149329E+00 Vb(Abramov) -0.2862119E+00 Hb(Abramov) -0.7127905E-01 Ex_ueg -0.5792223E-01 Ec_ueg -0.8328321E-02 Delta_ex -0.6159892E-01 Delta_ec 0.1475422E-01 Delta_et -0.1963729E+00 Pxc 0.6954850E+01 Qxc -0.4175004E+01 3,-1 132 3 -1 -1.521919 2.043655 2.723871 Rho 0.1537639E+00 |GRAD(Rho)| 0.1203978E-13 GRAD(Rho)x -0.7641288E-14 GRAD(Rho)y 0.7165790E-14 GRAD(Rho)z 0.5934516E-14 Laplacian 0.6056593E+00 (-1/4)Del**2(Rho)) -0.1514148E+00 Diamond 0.1265305E+01 Metallicity 0.5021212E+01 Ellipticity 0.6298675E-01 Gb(Abramov) 0.2276575E+00 Vb(Abramov) -0.3039003E+00 Hb(Abramov) -0.7624271E-01 Ex_ueg -0.6084022E-01 Ec_ueg -0.8684889E-02 Delta_ex -0.6544843E-01 Delta_ec 0.1528701E-01 Delta_et -0.2042274E+00 Pxc 0.7005296E+01 Qxc -0.4281310E+01 3,-1 133 3 -1 0.639601 0.822849 3.471085 Rho 0.8784599E-01 |GRAD(Rho)| 0.1873795E-10 GRAD(Rho)x 0.1243638E-10 GRAD(Rho)y 0.1396755E-10 GRAD(Rho)z -0.1163885E-11 Laplacian 0.3540768E+00 (-1/4)Del**2(Rho)) -0.8851921E-01 Diamond 0.3725620E+00 Metallicity 0.3378460E+01 Ellipticity 0.2328605E-01 Gb(Abramov) 0.1088559E+00 Vb(Abramov) -0.1291926E+00 Hb(Abramov) -0.2033671E-01 Ex_ueg -0.2884126E-01 Ec_ueg -0.4594889E-02 Delta_ex -0.3340742E-01 Delta_ec 0.1000856E-01 Delta_et -0.1209061E+00 Pxc 0.6276814E+01 Qxc -0.3337885E+01 3,-1 134 3 -1 -0.813525 -0.611597 -3.432540 Rho 0.2251190E+00 |GRAD(Rho)| 0.4693748E-13 GRAD(Rho)x -0.1672431E-13 GRAD(Rho)y -0.7314245E-14 GRAD(Rho)z 0.4324264E-13 Laplacian 0.8767440E+00 (-1/4)Del**2(Rho)) -0.2191860E+00 Diamond 0.2840860E+01 Metallicity 0.6547779E+01 Ellipticity 0.7767370E-02 Gb(Abramov) 0.3853209E+00 Vb(Abramov) -0.5514558E+00 Hb(Abramov) -0.1661349E+00 Ex_ueg -0.1011427E+00 Ec_ueg -0.1341650E-01 Delta_ex -0.1040044E+00 Delta_ec 0.1942237E-01 Delta_et -0.2670373E+00 Pxc 0.7538680E+01 Qxc -0.5354875E+01 3,-1 135 3 -1 1.550212 -1.873532 -2.349686 Rho 0.1235333E+00 |GRAD(Rho)| 0.1290982E-12 GRAD(Rho)x -0.3898210E-13 GRAD(Rho)y 0.9564512E-13 GRAD(Rho)z -0.7745162E-13 Laplacian 0.5062334E+00 (-1/4)Del**2(Rho)) -0.1265584E+00 Diamond 0.8196815E+00 Metallicity 0.4170960E+01 Ellipticity 0.4844066E-02 Gb(Abramov) 0.1723505E+00 Vb(Abramov) -0.2181427E+00 Hb(Abramov) -0.4579218E-01 Ex_ueg -0.4543920E-01 Ec_ueg -0.6771478E-02 Delta_ex -0.5195666E-01 Delta_ec 0.1362782E-01 Delta_et -0.1763237E+00 Pxc 0.6710381E+01 Qxc -0.3812545E+01 3,-1 136 3 -1 1.551945 -1.866105 2.347998 Rho 0.1209787E+00 |GRAD(Rho)| 0.2247147E-13 GRAD(Rho)x -0.1989859E-13 GRAD(Rho)y -0.3558230E-14 GRAD(Rho)z 0.9815906E-14 Laplacian 0.4954757E+00 (-1/4)Del**2(Rho)) -0.1238689E+00 Diamond 0.7823337E+00 Metallicity 0.4115654E+01 Ellipticity 0.4642072E-02 Gb(Abramov) 0.1675462E+00 Vb(Abramov) -0.2112235E+00 Hb(Abramov) -0.4367730E-01 Ex_ueg -0.4419063E-01 Ec_ueg -0.6612533E-02 Delta_ex -0.5059949E-01 Delta_ec 0.1340285E-01 Delta_et -0.1727830E+00 Pxc 0.6682860E+01 Qxc -0.3775278E+01 3,-1 137 3 -1 2.457329 1.842610 1.603564 Rho 0.1755553E+00 |GRAD(Rho)| 0.5162532E-13 GRAD(Rho)x 0.2138616E-13 GRAD(Rho)y 0.2690581E-13 GRAD(Rho)z -0.3852122E-13 Laplacian 0.7199794E+00 (-1/4)Del**2(Rho)) -0.1799948E+00 Diamond 0.1753875E+01 Metallicity 0.5268049E+01 Ellipticity 0.1989486E-01 Gb(Abramov) 0.2780335E+00 Vb(Abramov) -0.3760722E+00 Hb(Abramov) -0.9803866E-01 Ex_ueg -0.7260008E-01 Ec_ueg -0.1009903E-01 Delta_ex -0.8033040E-01 Delta_ec 0.1742667E-01 Delta_et -0.2362313E+00 Pxc 0.7188817E+01 Qxc -0.4609623E+01 3,-1 138 3 -1 2.283283 3.238873 -2.202332 Rho 0.2253901E+00 |GRAD(Rho)| 0.7633747E-15 GRAD(Rho)x 0.3240680E-15 GRAD(Rho)y 0.6027080E-15 GRAD(Rho)z -0.3383253E-15 Laplacian 0.8166898E+00 (-1/4)Del**2(Rho)) -0.2041724E+00 Diamond 0.2691076E+01 Metallicity 0.7043376E+01 Ellipticity 0.1821971E-02 Gb(Abramov) 0.3757922E+00 Vb(Abramov) -0.5474119E+00 Hb(Abramov) -0.1716197E+00 Ex_ueg -0.1013052E+00 Ec_ueg -0.1343502E-01 Delta_ex -0.9714785E-01 Delta_ec 0.1850907E-01 Delta_et -0.2562464E+00 Pxc 0.7540378E+01 Qxc -0.5248663E+01 3,-1 139 3 -1 3.593232 -0.857942 -0.762448 Rho 0.1465097E+00 |GRAD(Rho)| 0.1050907E-15 GRAD(Rho)x 0.4547550E-16 GRAD(Rho)y 0.6757290E-16 GRAD(Rho)z -0.6640738E-16 Laplacian 0.5877834E+00 (-1/4)Del**2(Rho)) -0.1469458E+00 Diamond 0.1183210E+01 Metallicity 0.4773533E+01 Ellipticity 0.2717491E-01 Gb(Abramov) 0.2148724E+00 Vb(Abramov) -0.2827989E+00 Hb(Abramov) -0.6792653E-01 Ex_ueg -0.5704361E-01 Ec_ueg -0.8220462E-02 Delta_ex -0.6301855E-01 Delta_ec 0.1546452E-01 Delta_et -0.2062144E+00 Pxc 0.6939222E+01 Qxc -0.4075040E+01 3,-1 140 3 -1 3.587371 -0.848715 0.735451 Rho 0.1433897E+00 |GRAD(Rho)| 0.8506496E-15 GRAD(Rho)x -0.7088920E-15 GRAD(Rho)y -0.2787755E-15 GRAD(Rho)z -0.3786305E-15 Laplacian 0.5748699E+00 (-1/4)Del**2(Rho)) -0.1437175E+00 Diamond 0.1127392E+01 Metallicity 0.4708764E+01 Ellipticity 0.2136865E-01 Gb(Abramov) 0.2086003E+00 Vb(Abramov) -0.2734831E+00 Hb(Abramov) -0.6488279E-01 Ex_ueg -0.5542969E-01 Ec_ueg -0.8021713E-02 Delta_ex -0.6130929E-01 Delta_ec 0.1519853E-01 Delta_et -0.2019941E+00 Pxc 0.6909956E+01 Qxc -0.4033895E+01 3,-1 141 3 -1 -0.922878 -0.717704 0.005013 Rho 0.2082928E+00 |GRAD(Rho)| 0.5452338E-13 GRAD(Rho)x 0.4729550E-13 GRAD(Rho)y 0.2632963E-13 GRAD(Rho)z -0.6533402E-14 Laplacian 0.6083262E+00 (-1/4)Del**2(Rho)) -0.1520815E+00 Diamond 0.1758089E+01 Metallicity 0.8290873E+01 Ellipticity 0.8732032E-03 Gb(Abramov) 0.3115358E+00 Vb(Abramov) -0.4709901E+00 Hb(Abramov) -0.1594543E+00 Ex_ueg -0.9119071E-01 Ec_ueg -0.1227489E-01 Delta_ex -0.7048785E-01 Delta_ec 0.1335125E-01 Delta_et -0.1812015E+00 Pxc 0.7429047E+01 Qxc -0.5279494E+01 3,-1 142 3 -1 -0.832933 -0.612604 3.389251 Rho 0.2261025E+00 |GRAD(Rho)| 0.6037437E-13 GRAD(Rho)x -0.1866346E-14 GRAD(Rho)y -0.3961187E-14 GRAD(Rho)z -0.6021537E-13 Laplacian 0.8836648E+00 (-1/4)Del**2(Rho)) -0.2209162E+00 Diamond 0.2876509E+01 Metallicity 0.6543867E+01 Ellipticity 0.8445797E-02 Gb(Abramov) 0.3882185E+00 Vb(Abramov) -0.5555208E+00 Hb(Abramov) -0.1673023E+00 Ex_ueg -0.1017323E+00 Ec_ueg -0.1348371E-01 Delta_ex -0.1049337E+00 Delta_ec 0.1953206E-01 Delta_et -0.2685180E+00 Pxc 0.7544829E+01 Qxc -0.5372381E+01 3,-1 143 3 -1 -0.781185 3.039975 2.002925 Rho 0.1555238E+00 |GRAD(Rho)| 0.4225864E-12 GRAD(Rho)x -0.3949043E-12 GRAD(Rho)y -0.1483253E-12 GRAD(Rho)z -0.2508883E-13 Laplacian 0.6260935E+00 (-1/4)Del**2(Rho)) -0.1565234E+00 Diamond 0.1319372E+01 Metallicity 0.4950345E+01 Ellipticity 0.5272568E-01 Gb(Abramov) 0.2334897E+00 Vb(Abramov) -0.3104560E+00 Hb(Abramov) -0.7696632E-01 Ex_ueg -0.6177047E-01 Ec_ueg -0.8798050E-02 Delta_ex -0.6778397E-01 Delta_ec 0.1564552E-01 Delta_et -0.2090634E+00 Pxc 0.7020927E+01 Qxc -0.4332485E+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 63 125 136 106 121 118 119 116 76 55 54 131 63 60 104 137 108 111 98 124 100 135 105 99 117 138 103 113 115 112 97 61 77 57 130 132 143 88 142 95 74 133 89 123 126 127 139 140 128 85 93 134 84 90 71 80 50 46 141 86 87 49 48 79 1 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 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 15 16 19 23 25 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 19 23 36 36 36 45 45 27 2.374364 1.997857 1.776905 2.052785 1.969565 1.776015 1.776093 2.411047 1.801620 1.984903 1.929483 2.045292 1.770784 2.582570 1.855074 1.922029 1.879413 2.025304 1.765945 2.374827 1.989581 1.775717 2.061852 1.970638 1.767487 2.566020 1.894180 1.985527 1.870821 1.918131 1.762495 2.443075 1.968994 1.925003 1.914660 1.908216 2.326634 1.764886 1.910106 2.040384 2.140453 1.776330 2.590783 2.026982 2.084344 1.930921 1.939807 1.811720 2.339345 1.915321 1.766753 1.775666 2.148081 2.017617 1.759854 3.180619 3.194720 1.643993 1.770016 1.772500 1.005236 1.728731 3.211440 2.376002 1.998206 1.777007 2.053232 1.970038 1.776034 1.776114 2.412508 1.801770 1.985232 1.929996 2.045735 1.770802 2.584183 1.855346 1.922520 1.879875 2.025736 1.765953 2.376418 1.989913 1.775810 2.062304 1.971120 1.767493 2.567501 1.894534 1.985927 1.871188 1.918642 1.762505 2.444593 1.969871 1.925603 1.915231 1.908692 2.327958 1.764948 1.910565 2.040869 2.140874 1.776348 2.592847 2.027210 2.084542 1.931172 1.940084 1.811738 2.340756 1.915775 1.766799 1.775686 2.148582 2.018099 1.759892 3.227424 3.230860 1.644004 1.770034 1.772520 1.005304 1.732279 3.214288 29 25 24 25 25 25 24 31 26 29 24 25 24 29 23 26 26 25 26 28 24 24 25 25 23 29 25 26 24 25 24 31 27 27 25 25 31 22 26 28 25 26 29 25 26 24 24 27 30 26 22 24 29 26 25 35 35 21 24 25 20 26 35 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 W O W W W W W O O W Ta W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H 2.2976 -0.8987 2.3369 2.4025 2.2994 2.3962 2.3965 -0.8910 -0.8676 2.3349 2.1535 2.3274 -1.0868 -0.9134 -1.0876 -1.0804 -0.8365 -0.9902 -0.8407 -0.9922 -0.8422 -0.9748 -0.8973 -0.9904 -0.9823 -0.8485 -0.9799 -0.8475 -1.0432 -0.8950 -0.9931 -1.0011 -1.0441 -1.0130 -0.9991 2.2005 -0.8949 -0.9980 -1.0152 -1.0103 -0.8981 -0.9874 -0.8866 -0.8862 0.2675 2.1435 1.9460 2.1306 2.1075 2.1436 2.1101 2.1166 1.9491 1.9510 2.1384 2.1215 2.1393 1.9314 1.9521 1.9309 1.9305 1.9515 1.9267 1.8711 1.9263 1.9509 1.9308 1.9481 1.9269 1.9266 1.9491 1.9274 1.9494 1.9290 1.9474 1.9372 1.9356 1.9288 1.9339 1.9370 0.8991 1.9473 1.9345 1.9325 1.9336 1.9460 1.9343 1.9484 1.9505 0.5740 6.1257 4.9232 6.1188 6.1001 6.1246 6.1008 6.1099 4.9111 4.8853 6.1116 6.0824 6.1140 5.1232 4.9291 5.1245 5.1181 4.8534 5.0354 4.9400 5.0388 4.8600 5.0152 4.9184 5.0352 5.0266 4.8689 5.0242 4.8676 5.0888 4.9180 5.0273 5.0361 5.0902 5.0493 5.0338 1.3608 4.9180 5.0332 5.0526 5.0485 4.9225 5.0288 4.9079 4.9046 0.1585 3.4039 0.0295 3.3843 3.3601 3.4031 3.3630 3.3474 0.0308 0.0314 3.3861 2.6082 3.3902 0.0321 0.0321 0.0323 0.0317 0.0316 0.0281 0.0296 0.0270 0.0313 0.0287 0.0308 0.0283 0.0291 0.0304 0.0283 0.0305 0.0253 0.0296 0.0286 0.0294 0.0251 0.0298 0.0282 10.5395 0.0295 0.0303 0.0302 0.0282 0.0295 0.0243 0.0303 0.0310 0.0000 14.0293 0.0000 14.0294 14.0298 14.0293 14.0299 14.0296 0.0000 0.0000 14.0290 14.0344 14.0290 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 W O W W W W W O O W Ta W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H 2.473709 -0.967240 2.477880 2.485814 2.473904 2.489453 2.498615 -0.950734 -0.927309 2.473835 2.346284 2.473795 -1.091838 -1.003118 -1.089361 -1.089238 -0.906305 -1.006463 -0.692376 -1.024004 -0.912859 -1.006162 -0.880797 -1.006424 -0.993321 -0.927244 -1.006272 -0.926037 -1.069351 -0.958640 -1.012921 -0.997203 -1.069605 -1.010937 -1.014502 2.275929 -0.958772 -1.004353 -1.020648 -1.021044 -0.967048 -1.088662 -0.950468 -0.943059 0.025096 1.936281 -0.900633 1.920974 1.918458 1.936893 1.916993 1.942821 -0.882544 -0.843040 1.943026 1.828382 1.941239 -0.704871 -0.849452 -0.705951 -0.706124 -0.815495 -0.739759 -0.863281 -0.778989 -0.827907 -0.787328 -0.804196 -0.743969 -0.740942 -0.840602 -0.747894 -0.839186 -0.916214 -0.890867 -0.864245 -0.818314 -0.911736 -0.841039 -0.861210 1.781958 -0.891592 -0.834939 -0.844691 -0.857384 -0.900641 -1.045905 -0.878224 -0.871503 0.283642 2.036675 -0.874217 2.032403 2.031280 2.036536 2.032252 2.054333 -0.848504 -0.825827 2.026420 1.939274 2.028597 -0.795643 -0.789557 -0.787564 -0.796597 -0.815865 -0.828074 -0.865167 -0.872126 -0.828103 -0.862127 -0.847056 -0.831674 -0.843939 -0.847899 -0.843697 -0.845854 -0.950538 -0.866382 -0.887334 -0.865877 -0.947302 -0.893534 -0.892551 1.731879 -0.868017 -0.869535 -0.904922 -0.884491 -0.873675 -1.016391 -0.853668 -0.835876 0.309936 -29.60494977 -10.26738752 1.01129240 31.35115643 24.94494529 66.84404256 -0.43339654 9.64592224 2.28579303 -34.59086753 -310.1528 357.8012 19.8190 -367.7222 -101.0186 -401.2734 Jun19-2024 11:51:08 Nodes: 1 Procs: 1 Jun19-2024 11:51:10 Nodes: 1 Procs: 1 0 Jun19-2024 11:51:12 Nodes: 1 Procs: 1 Jun19-2024 11:51:13 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 11:51:17 Nodes: 1 Procs: 1 Jun19-2024 11:51:20 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:51:23 Nodes: 1 Procs: 1 Jun19-2024 11:51:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 11:51:28 Nodes: 1 Procs: 1 Jun19-2024 11:51:30 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 11:51:35 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -14.57200853 -14.71501073 -14.73372155 -14.73846085 -14.74110622 -14.74244141 -14.74367953 -14.74479119 -14.74541629 -14.74578679 -14.74607200 -14.74618246 -14.74627358 -14.74645130 -14.74648195 -14.74659861 -14.74659495 -14.74652520 GEOMETRY CONVERGED