ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar12-2024 12:23:49 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 0.02 0.41 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Mar12-2024 12:23:49 Nodes: 1 Procs: 1 Mar12-2024 12:23:49 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar12-2024 12:23:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Mar12-2024 12:23:49 Nodes: 1 Procs: 1 Mar12-2024 12:23:49 Nodes: 1 Procs: 1 0 Mar12-2024 12:23:50 Nodes: 1 Procs: 1 Mar12-2024 12:23:50 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar12-2024 12:23:51 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar12-2024 12:23:49 Nodes: 1 Procs: 1 Mar12-2024 12:23:49 Nodes: 1 Procs: 1 0 Mar12-2024 12:23:50 Nodes: 1 Procs: 1 Mar12-2024 12:23:50 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar12-2024 12:23:51 Nodes: 1 Procs: 1 Mar12-2024 12:23:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar12-2024 12:23:52 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 0.04 1.43 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 Mar12-2024 12:23:49 Nodes: 1 Procs: 1 Mar12-2024 12:23:49 Nodes: 1 Procs: 1 0 Mar12-2024 12:23:50 Nodes: 1 Procs: 1 Mar12-2024 12:23:50 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar12-2024 12:23:51 Nodes: 1 Procs: 1 Mar12-2024 12:23:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar12-2024 12:23:52 Nodes: 1 Procs: 1 Mar12-2024 12:23:53 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar12-2024 12:23:55 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2229.513361 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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 Mar12-2024 12:23:53 1 1 Tungsten TZP 4d t21.O ADF 2019 Mar12-2024 12:23:51 1 1 Oxygen TZP 1s t21.P ADF 2019 Mar12-2024 12:23:50 1 1 Phosphorus TZP 1s t21.H ADF 2019 Mar12-2024 12:23:49 1 1 Hydrogen TZP 1 1 -14.71329872 0.77943396 0.00100000 F 0.09425528 0.00066667 F 0.77943396 0.09425528 0.30078505 0.01000000 F 0.05057630 0.00666667 F Cartesian 2229.513361 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AuxInfo=1/1/N:13,14,15,16,36;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;1;3;4;5;6;10;11;12;7/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:45nWO1WWWWWO1O1WWWO1O1O1O1O1OOOO1OO1OOO1OO1OO1OOOOOP4O1OOOO1O1O1O1H/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:1.8121,-2.626,1.7188;2.7212,-3.6735,-2.8251;-1.8287,2.488,-1.8604;1.7842,2.4891,1.8875;1.7965,-2.6477,-1.7214;1.6887,2.5319,-1.8718;-1.7005,2.6173,1.8746;2.7765,3.7789,-2.4752;-2.7052,3.8877,2.5487;-.1506,-.029,3.5141;3.672,-.1392,-.0341;-.1202,-.0246,-3.5392;1.215,-1.0321,-.008;-1.3779,-1.0325,.0142;-.071,.7971,-1.278;-.04,.8028,1.2749;-1.4672,-1.1582,3.2085;1.276,-1.2006,-2.9048;-3.0618,1.3238,1.3351;2.969,1.2083,-1.252;-1.4422,-1.1553,-3.2533;3.0452,1.2139,1.3397;-3.0807,1.3091,-1.3441;1.2663,-1.1848,2.9101;-1.6386,3.0728,.007;.2376,-3.4211,1.7135;1.6042,2.9985,.0378;.2191,-3.433,-1.7099;3.5452,-1.4089,-1.3706;.1091,-.1411,-5.2886;1.3779,1.5031,-3.3958;-1.3826,1.551,3.4322;3.5226,-1.3821,1.3425;-1.3204,1.5539,-3.472;1.3157,1.5261,3.4211;-.1555,-.178,.0007;.0421,-.1433,5.2682;.021,3.419,2.0977;2.3594,-3.3849,-.0016;.0105,3.3933,-2.0573;2.7462,-3.6409,2.8243;5.3922,.2421,-.0358;-2.7733,3.8095,-2.5447;2.8209,3.7584,2.5288;-3.0546,1.154,.342;/R:/0/N:19,9,17,37,23,43,21,30,26,41,2,28,44,8,42,32,34,39,25,24,18,38,35,40,31,33,29,27,22,20,7,10,3,12,1,5,4,6,11;13,14,15,16,36/E:(3,4)(5,6)(7,8)(9,10)(11,12);(1,2,3,4)/CRV:2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1;1.1,2.1,3.1,4.1,5.4 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 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 -5.385 -5.378 -5.331 -5.306 -5.276 -5.194 -4.916 -4.901 -4.791 -4.784 -1.747 -1.536 -1.480 -1.316 -1.286 -1.189 -1.180 -1.115 -1.006 -0.964 A A A A A A A A A A A A A A A A A A A A 0.00000000054198 0.00040047169755 0.00030244241043 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 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 15 1 1.812061 -2.626009 1.718764 -1.828699 2.488022 -1.860437 1.784219 2.489079 1.887466 1.796512 -2.647747 -1.721416 1.688651 2.531865 -1.871755 -1.700517 2.617295 1.874614 -0.150580 -0.029013 3.514050 3.672015 -0.139239 -0.034060 -0.120169 -0.024552 -3.539151 2.721172 -3.673546 -2.825134 2.776452 3.778884 -2.475231 -2.705188 3.887697 2.548660 1.215011 -1.032140 -0.008032 -1.377924 -1.032531 0.014208 -0.070970 0.797070 -1.277960 -0.039980 0.802811 1.274920 -1.467240 -1.158222 3.208485 1.276016 -1.200634 -2.904799 -3.061789 1.323766 1.335103 2.969016 1.208343 -1.251983 -1.442203 -1.155344 -3.253303 3.045209 1.213916 1.339688 -3.080726 1.309143 -1.344087 1.266316 -1.184803 2.910081 -1.638615 3.072843 0.006971 0.237555 -3.421115 1.713515 1.604162 2.998540 0.037776 0.219141 -3.433008 -1.709883 3.545219 -1.408940 -1.370630 0.109088 -0.141053 -5.288589 1.377919 1.503088 -3.395764 -1.382608 1.550978 3.432179 3.522601 -1.382108 1.342506 -1.320426 1.553915 -3.472007 1.315666 1.526089 3.421052 0.042136 -0.143289 5.268218 0.021040 3.418992 2.097663 2.359440 -3.384945 -0.001637 0.010499 3.393294 -2.057310 2.746164 -3.640876 2.824278 5.392155 0.242119 -0.035793 -2.773321 3.809508 -2.544706 2.820920 3.758386 2.528838 -0.155484 -0.178027 0.000745 -3.054620 1.154000 0.341988 1 3 -3 1.812061 -2.626009 1.718764 Rho 0.4361415E+07 3,-3 2 3 -3 -1.828699 2.488022 -1.860437 Rho 0.4361415E+07 3,-3 3 3 -3 1.784219 2.489079 1.887466 Rho 0.4361415E+07 3,-3 4 3 -3 1.796512 -2.647747 -1.721416 Rho 0.4361415E+07 3,-3 5 3 -3 1.688651 2.531865 -1.871755 Rho 0.4361415E+07 3,-3 6 3 -3 -1.700517 2.617295 1.874614 Rho 0.4361415E+07 3,-3 7 3 -3 -0.150580 -0.029013 3.514050 Rho 0.4361415E+07 3,-3 8 3 -3 3.672015 -0.139239 -0.034060 Rho 0.4361415E+07 3,-3 9 3 -3 -0.120169 -0.024552 -3.539151 Rho 0.4361415E+07 3,-3 10 3 -3 2.721172 -3.673546 -2.825134 Rho 0.3191850E+03 3,-3 11 3 -3 2.776452 3.778884 -2.475231 Rho 0.3191992E+03 3,-3 12 3 -3 -2.705188 3.887697 2.548660 Rho 0.3192293E+03 3,-3 13 3 -3 1.215011 -1.032140 -0.008032 Rho 0.3188011E+03 3,-3 14 3 -3 -1.377924 -1.032531 0.014208 Rho 0.3189435E+03 3,-3 15 3 -3 -0.070970 0.797070 -1.277960 Rho 0.3187986E+03 3,-3 16 3 -3 -0.039980 0.802811 1.274920 Rho 0.3187980E+03 3,-3 17 3 -3 -1.467240 -1.158222 3.208485 Rho 0.3192532E+03 3,-3 18 3 -3 1.276016 -1.200634 -2.904799 Rho 0.3188091E+03 3,-3 19 3 -3 -3.061789 1.323766 1.335103 Rho 0.3187076E+03 3,-3 20 3 -3 2.969016 1.208343 -1.251983 Rho 0.3188475E+03 3,-3 21 3 -3 -1.442203 -1.155344 -3.253303 Rho 0.3192434E+03 3,-3 22 3 -3 3.045209 1.213916 1.339688 Rho 0.3188818E+03 3,-3 23 3 -3 -3.080726 1.309143 -1.344087 Rho 0.3191623E+03 3,-3 24 3 -3 1.266316 -1.184803 2.910081 Rho 0.3188087E+03 3,-3 25 3 -3 -1.638615 3.072843 0.006971 Rho 0.3188470E+03 3,-3 26 3 -3 0.237555 -3.421115 1.713515 Rho 0.3192402E+03 3,-3 27 3 -3 1.604162 2.998540 0.037776 Rho 0.3188658E+03 3,-3 28 3 -3 0.219141 -3.433008 -1.709883 Rho 0.3192414E+03 3,-3 29 3 -3 3.545219 -1.408940 -1.370630 Rho 0.3189913E+03 3,-3 30 3 -3 0.109088 -0.141053 -5.288589 Rho 0.3191855E+03 3,-3 31 3 -3 1.377919 1.503088 -3.395764 Rho 0.3189784E+03 3,-3 32 3 -3 -1.382608 1.550978 3.432179 Rho 0.3189076E+03 3,-3 33 3 -3 3.522601 -1.382108 1.342506 Rho 0.3189771E+03 3,-3 34 3 -3 -1.320426 1.553915 -3.472007 Rho 0.3188846E+03 3,-3 35 3 -3 1.315666 1.526089 3.421052 Rho 0.3189762E+03 3,-3 36 3 -3 0.042136 -0.143289 5.268218 Rho 0.3191872E+03 3,-3 37 3 -3 0.021040 3.418992 2.097663 Rho 0.3189250E+03 3,-3 38 3 -3 2.359440 -3.384945 -0.001637 Rho 0.3188802E+03 3,-3 39 3 -3 0.010499 3.393294 -2.057310 Rho 0.3189364E+03 3,-3 40 3 -3 2.746164 -3.640876 2.824278 Rho 0.3191863E+03 3,-3 41 3 -3 5.392155 0.242119 -0.035793 Rho 0.3191987E+03 3,-3 42 3 -3 -2.773321 3.809508 -2.544706 Rho 0.3192014E+03 3,-3 43 3 -3 2.820920 3.758386 2.528838 Rho 0.3192072E+03 3,-3 44 3 -3 -0.155484 -0.178027 0.000745 Rho 0.2439647E+04 3,-3 45 3 -3 -3.054620 1.154000 0.341988 Rho 0.4322141E+00 3,-3 46 3 +1 -2.289493 0.359306 -0.116660 Rho 0.5957271E-02 |GRAD(Rho)| 0.3589550E-12 GRAD(Rho)x 0.3474150E-12 GRAD(Rho)y -0.8816407E-13 GRAD(Rho)z 0.1945656E-13 Laplacian 0.2191406E-01 (-1/4)Del**2(Rho)) -0.5478516E-02 Diamond 0.4876163E-03 Metallicity 0.6156055E+00 Ellipticity -0.1894005E+01 Gb(Abramov) 0.4214445E-02 Vb(Abramov) -0.2950373E-02 Hb(Abramov) 0.1264071E-02 Ex_ueg -0.7975933E-03 Ec_ueg -0.1883379E-03 Delta_ex -0.1010466E-02 Delta_ec 0.4810990E-03 Delta_et -0.2836148E-02 Pxc 0.4234907E+01 Qxc -0.2100328E+01 3,+1 47 3 -1 -3.059296 1.226359 -0.215741 Rho 0.4618728E-01 |GRAD(Rho)| 0.1801122E-15 GRAD(Rho)x -0.1659312E-16 GRAD(Rho)y 0.7292965E-16 GRAD(Rho)z -0.1638485E-15 Laplacian 0.1261951E+00 (-1/4)Del**2(Rho)) -0.3154878E-01 Diamond 0.8817714E-01 Metallicity 0.3246693E+01 Ellipticity 0.9340397E-02 Gb(Abramov) 0.3810406E-01 Vb(Abramov) -0.4465933E-01 Hb(Abramov) -0.6555273E-02 Ex_ueg -0.1223906E-01 Ec_ueg -0.2205230E-02 Delta_ex -0.1165554E-01 Delta_ec 0.6392072E-02 Delta_et -0.6659016E-01 Pxc 0.5550016E+01 Qxc -0.1823437E+01 3,-1 48 3 +3 -1.670500 1.039456 0.009409 Rho 0.4307946E-02 |GRAD(Rho)| 0.9261803E-14 GRAD(Rho)x 0.5191429E-14 GRAD(Rho)y 0.2639174E-14 GRAD(Rho)z 0.7201723E-14 Laplacian 0.1723984E-01 (-1/4)Del**2(Rho)) -0.4309961E-02 Diamond 0.1277214E-03 Metallicity 0.4558938E+00 Ellipticity -0.3908280E+00 Gb(Abramov) 0.3200788E-02 Vb(Abramov) -0.2091615E-02 Hb(Abramov) 0.1109173E-02 Ex_ueg -0.5177007E-03 Ec_ueg -0.1172536E-03 Delta_ex -0.6050513E-03 Delta_ec 0.1356464E-03 Delta_et -0.8712898E-03 Pxc 0.4415224E+01 Qxc -0.4460505E+01 3,+3 49 3 -1 -2.497721 1.851888 -1.576893 Rho 0.2096453E+00 |GRAD(Rho)| 0.1916885E-13 GRAD(Rho)x 0.1206197E-13 GRAD(Rho)y 0.1356603E-13 GRAD(Rho)z -0.6157645E-14 Laplacian 0.8145930E+00 (-1/4)Del**2(Rho)) -0.2036482E+00 Diamond 0.2428080E+01 Metallicity 0.6258654E+01 Ellipticity 0.2084456E-01 Gb(Abramov) 0.3481928E+00 Vb(Abramov) -0.4927374E+00 Hb(Abramov) -0.1445446E+00 Ex_ueg -0.9198108E-01 Ec_ueg -0.1236607E-01 Delta_ex -0.9490036E-01 Delta_ec 0.1847664E-01 Delta_et -0.2532985E+00 Pxc 0.7438180E+01 Qxc -0.5136234E+01 3,-1 50 3 +1 -2.518421 1.908751 -0.032044 Rho 0.1493245E-01 |GRAD(Rho)| 0.2476438E-16 GRAD(Rho)x 0.1988833E-17 GRAD(Rho)y 0.4580754E-17 GRAD(Rho)z 0.2425564E-16 Laplacian 0.7007137E-01 (-1/4)Del**2(Rho)) -0.1751784E-01 Diamond 0.3820572E-02 Metallicity 0.8904808E+00 Ellipticity -0.1419187E+01 Gb(Abramov) 0.1427845E-01 Vb(Abramov) -0.1103905E-01 Hb(Abramov) 0.3239397E-02 Ex_ueg -0.2715772E-02 Ec_ueg -0.5965789E-03 Delta_ex -0.3656862E-02 Delta_ec 0.9207963E-03 Delta_et -0.7271788E-02 Pxc 0.4552243E+01 Qxc -0.3971412E+01 3,+1 51 3 -1 -2.410269 1.929683 1.566851 Rho 0.1420095E+00 |GRAD(Rho)| 0.1437924E-13 GRAD(Rho)x 0.3137857E-14 GRAD(Rho)y -0.1257559E-13 GRAD(Rho)z -0.6226627E-14 Laplacian 0.5379544E+00 (-1/4)Del**2(Rho)) -0.1344886E+00 Diamond 0.1035173E+01 Metallicity 0.4951422E+01 Ellipticity 0.1105248E+00 Gb(Abramov) 0.2006441E+00 Vb(Abramov) -0.2667995E+00 Hb(Abramov) -0.6615545E-01 Ex_ueg -0.5471943E-01 Ec_ueg -0.7933985E-02 Delta_ex -0.5715599E-01 Delta_ec 0.1410973E-01 Delta_et -0.1869419E+00 Pxc 0.6896841E+01 Qxc -0.4050820E+01 3,-1 52 3 -1 -1.520959 2.036534 2.692470 Rho 0.1531111E+00 |GRAD(Rho)| 0.2947538E-15 GRAD(Rho)x 0.3694419E-16 GRAD(Rho)y -0.1479529E-15 GRAD(Rho)z 0.2522396E-15 Laplacian 0.6107837E+00 (-1/4)Del**2(Rho)) -0.1526959E+00 Diamond 0.1271424E+01 Metallicity 0.4943908E+01 Ellipticity 0.5288475E-01 Gb(Abramov) 0.2276164E+00 Vb(Abramov) -0.3025368E+00 Hb(Abramov) -0.7492045E-01 Ex_ueg -0.6049611E-01 Ec_ueg -0.8642968E-02 Delta_ex -0.6595158E-01 Delta_ec 0.1546591E-01 Delta_et -0.2065770E+00 Pxc 0.6999460E+01 Qxc -0.4264320E+01 3,-1 53 3 +1 -0.018091 2.998626 -0.148078 Rho 0.5616488E-02 |GRAD(Rho)| 0.8418412E-12 GRAD(Rho)x 0.7858731E-12 GRAD(Rho)y -0.2656559E-12 GRAD(Rho)z -0.1432722E-12 Laplacian 0.2319548E-01 (-1/4)Del**2(Rho)) -0.5798871E-02 Diamond 0.6436775E-03 Metallicity 0.5272111E+00 Ellipticity -0.3677251E+01 Gb(Abramov) 0.4375452E-02 Vb(Abramov) -0.2952033E-02 Hb(Abramov) 0.1423419E-02 Ex_ueg -0.7373464E-03 Ec_ueg -0.1735385E-03 Delta_ex -0.1188565E-02 Delta_ec 0.7463234E-03 Delta_et -0.4190669E-02 Pxc 0.4248891E+01 Qxc -0.1592560E+01 3,+1 54 3 -1 -1.245375 -0.958823 1.636127 Rho 0.6269217E-02 |GRAD(Rho)| 0.1367431E-17 GRAD(Rho)x -0.4157344E-18 GRAD(Rho)y 0.3013849E-18 GRAD(Rho)z 0.1267360E-17 Laplacian 0.2374645E-01 (-1/4)Del**2(Rho)) -0.5936612E-02 Diamond 0.8682266E-03 Metallicity 0.6185432E+00 Ellipticity 0.2144084E+01 Gb(Abramov) 0.4569750E-02 Vb(Abramov) -0.3202887E-02 Hb(Abramov) 0.1366862E-02 Ex_ueg -0.8537606E-03 Ec_ueg -0.2019347E-03 Delta_ex -0.1314920E-02 Delta_ec 0.8918062E-03 Delta_et -0.5126502E-02 Pxc 0.4227904E+01 Qxc -0.1474446E+01 3,-1 55 3 -1 -2.134352 0.256536 -0.612998 Rho 0.6598652E-02 |GRAD(Rho)| 0.1747501E-17 GRAD(Rho)x -0.1572093E-17 GRAD(Rho)y 0.5692061E-18 GRAD(Rho)z -0.5082198E-18 Laplacian 0.2451566E-01 (-1/4)Del**2(Rho)) -0.6128914E-02 Diamond 0.9314623E-03 Metallicity 0.6525218E+00 Ellipticity 0.4572849E+00 Gb(Abramov) 0.4752484E-02 Vb(Abramov) -0.3376055E-02 Hb(Abramov) 0.1376430E-02 Ex_ueg -0.9140964E-03 Ec_ueg -0.2163450E-03 Delta_ex -0.1352177E-02 Delta_ec 0.8877118E-03 Delta_et -0.5193764E-02 Pxc 0.4225180E+01 Qxc -0.1523217E+01 3,-1 56 3 -1 -2.173694 0.241546 0.550869 Rho 0.7081252E-02 |GRAD(Rho)| 0.5451907E-17 GRAD(Rho)x 0.1965116E-17 GRAD(Rho)y 0.1761829E-17 GRAD(Rho)z -0.4770490E-17 Laplacian 0.2703312E-01 (-1/4)Del**2(Rho)) -0.6758281E-02 Diamond 0.1170750E-02 Metallicity 0.6656312E+00 Ellipticity 0.2973881E+00 Gb(Abramov) 0.5255274E-02 Vb(Abramov) -0.3752268E-02 Hb(Abramov) 0.1503007E-02 Ex_ueg -0.1004304E-02 Ec_ueg -0.2375485E-03 Delta_ex -0.1535525E-02 Delta_ec 0.1021910E-02 Delta_et -0.6093727E-02 Pxc 0.4227785E+01 Qxc -0.1502604E+01 3,-1 57 3 +1 -1.113044 -0.832065 1.648159 Rho 0.6240634E-02 |GRAD(Rho)| 0.3039559E-16 GRAD(Rho)x -0.4353538E-17 GRAD(Rho)y -0.3620060E-17 GRAD(Rho)z 0.2986358E-16 Laplacian 0.2401517E-01 (-1/4)Del**2(Rho)) -0.6003793E-02 Diamond 0.7104708E-03 Metallicity 0.6069814E+00 Ellipticity -0.3498802E+01 Gb(Abramov) 0.4609894E-02 Vb(Abramov) -0.3215994E-02 Hb(Abramov) 0.1393899E-02 Ex_ueg -0.8485746E-03 Ec_ueg -0.2006869E-03 Delta_ex -0.1216584E-02 Delta_ec 0.7017911E-03 Delta_et -0.4094342E-02 Pxc 0.4228350E+01 Qxc -0.1733542E+01 3,+1 58 3 -1 0.616948 0.789761 3.447558 Rho 0.8802928E-01 |GRAD(Rho)| 0.1106889E-12 GRAD(Rho)x -0.8547359E-14 GRAD(Rho)y 0.1092762E-12 GRAD(Rho)z -0.1541739E-13 Laplacian 0.3561610E+00 (-1/4)Del**2(Rho)) -0.8904026E-01 Diamond 0.3765507E+00 Metallicity 0.3370378E+01 Ellipticity 0.1441113E-01 Gb(Abramov) 0.1093767E+00 Vb(Abramov) -0.1297132E+00 Hb(Abramov) -0.2033647E-01 Ex_ueg -0.2892153E-01 Ec_ueg -0.4605807E-02 Delta_ex -0.3363739E-01 Delta_ec 0.1009376E-01 Delta_et -0.1220196E+00 Pxc 0.6279362E+01 Qxc -0.3332494E+01 3,-1 59 3 -1 0.663481 0.779900 -3.445938 Rho 0.8684477E-01 |GRAD(Rho)| 0.2426675E-15 GRAD(Rho)x 0.1684952E-15 GRAD(Rho)y 0.1743194E-15 GRAD(Rho)z 0.1047017E-16 Laplacian 0.3502770E+00 (-1/4)Del**2(Rho)) -0.8756926E-01 Diamond 0.3637893E+00 Metallicity 0.3350485E+01 Ellipticity 0.1202546E-01 Gb(Abramov) 0.1072794E+00 Vb(Abramov) -0.1269896E+00 Hb(Abramov) -0.1971016E-01 Ex_ueg -0.2840381E-01 Ec_ueg -0.4535304E-02 Delta_ex -0.3296828E-01 Delta_ec 0.9936422E-02 Delta_et -0.1197535E+00 Pxc 0.6262824E+01 Qxc -0.3317923E+01 3,-1 60 3 -1 -0.834454 -0.632645 -3.382628 Rho 0.2273475E+00 |GRAD(Rho)| 0.2571402E-13 GRAD(Rho)x 0.3979564E-14 GRAD(Rho)y -0.2534664E-13 GRAD(Rho)z 0.1709326E-14 Laplacian 0.8862415E+00 (-1/4)Del**2(Rho)) -0.2215604E+00 Diamond 0.2901319E+01 Metallicity 0.6584833E+01 Ellipticity 0.9793170E-02 Gb(Abramov) 0.3908633E+00 Vb(Abramov) -0.5601661E+00 Hb(Abramov) -0.1693029E+00 Ex_ueg -0.1024799E+00 Ec_ueg -0.1356887E-01 Delta_ex -0.1053747E+00 Delta_ec 0.1953010E-01 Delta_et -0.2684371E+00 Pxc 0.7552574E+01 Qxc -0.5395501E+01 3,-1 61 3 -1 0.003807 -0.086110 -4.482912 Rho 0.2249213E+00 |GRAD(Rho)| 0.5005914E-15 GRAD(Rho)x -0.9814740E-16 GRAD(Rho)y 0.7384772E-16 GRAD(Rho)z 0.4852889E-15 Laplacian 0.8324881E+00 (-1/4)Del**2(Rho)) -0.2081220E+00 Diamond 0.2726822E+01 Metallicity 0.6885775E+01 Ellipticity 0.1898389E-01 Gb(Abramov) 0.3775949E+00 Vb(Abramov) -0.5470678E+00 Hb(Abramov) -0.1694729E+00 Ex_ueg -0.1010243E+00 Ec_ueg -0.1340300E-01 Delta_ex -0.9891890E-01 Delta_ec 0.1878047E-01 Delta_et -0.2595797E+00 Pxc 0.7537441E+01 Qxc -0.5267115E+01 3,-1 62 3 +1 0.596212 1.069929 -2.366326 Rho 0.2366842E-01 |GRAD(Rho)| 0.4998633E-16 GRAD(Rho)x 0.1987633E-16 GRAD(Rho)y 0.1808009E-16 GRAD(Rho)z -0.4215063E-16 Laplacian 0.9267763E-01 (-1/4)Del**2(Rho)) -0.2316941E-01 Diamond 0.1188016E-01 Metallicity 0.1450732E+01 Ellipticity -0.4591940E+01 Gb(Abramov) 0.2104837E-01 Vb(Abramov) -0.1892733E-01 Hb(Abramov) 0.2121037E-02 Ex_ueg -0.5018926E-02 Ec_ueg -0.1021908E-02 Delta_ex -0.5755140E-02 Delta_ec 0.1705855E-02 Delta_et -0.1482091E-01 Pxc 0.4911330E+01 Qxc -0.3373758E+01 3,+1 63 3 +1 1.619625 0.443017 0.814341 Rho 0.6198183E-02 |GRAD(Rho)| 0.1435912E-16 GRAD(Rho)x -0.1029827E-16 GRAD(Rho)y -0.8893102E-17 GRAD(Rho)z -0.4587248E-17 Laplacian 0.2455258E-01 (-1/4)Del**2(Rho)) -0.6138145E-02 Diamond 0.4483214E-03 Metallicity 0.5869801E+00 Ellipticity -0.1371971E+01 Gb(Abramov) 0.4692591E-02 Vb(Abramov) -0.3247038E-02 Hb(Abramov) 0.1445553E-02 Ex_ueg -0.8408869E-03 Ec_ueg -0.1988344E-03 Delta_ex -0.1052829E-02 Delta_ec 0.3796121E-03 Delta_et -0.2353042E-02 Pxc 0.4229082E+01 Qxc -0.2773433E+01 3,+1 64 3 -1 -0.862359 -0.635865 3.347002 Rho 0.2282565E+00 |GRAD(Rho)| 0.2003980E-15 GRAD(Rho)x -0.1155760E-15 GRAD(Rho)y -0.1497283E-15 GRAD(Rho)z -0.6620410E-16 Laplacian 0.8930725E+00 (-1/4)Del**2(Rho)) -0.2232681E+00 Diamond 0.2935473E+01 Metallicity 0.6578068E+01 Ellipticity 0.1085986E-01 Gb(Abramov) 0.3936242E+00 Vb(Abramov) -0.5639804E+00 Hb(Abramov) -0.1703561E+00 Ex_ueg -0.1030266E+00 Ec_ueg -0.1363110E-01 Delta_ex -0.1062843E+00 Delta_ec 0.1963454E-01 Delta_et -0.2698180E+00 Pxc 0.7558201E+01 Qxc -0.5413129E+01 3,-1 65 3 +1 1.553197 0.451804 -0.803072 Rho 0.6760732E-02 |GRAD(Rho)| 0.1442307E-16 GRAD(Rho)x -0.1430117E-16 GRAD(Rho)y -0.5021503E-20 GRAD(Rho)z -0.1871196E-17 Laplacian 0.2746122E-01 (-1/4)Del**2(Rho)) -0.6865305E-02 Diamond 0.5701405E-03 Metallicity 0.6065726E+00 Ellipticity -0.1388798E+01 Gb(Abramov) 0.5270921E-02 Vb(Abramov) -0.3676537E-02 Hb(Abramov) 0.1594384E-02 Ex_ueg -0.9441551E-03 Ec_ueg -0.2234538E-03 Delta_ex -0.1206305E-02 Delta_ec 0.4312513E-03 Delta_et -0.2730703E-02 Pxc 0.4225281E+01 Qxc -0.2797221E+01 3,+1 66 3 -1 -0.849818 2.950726 -1.956794 Rho 0.1068164E+00 |GRAD(Rho)| 0.6101762E-13 GRAD(Rho)x -0.6035791E-13 GRAD(Rho)y -0.8205557E-14 GRAD(Rho)z -0.3569377E-14 Laplacian 0.4325076E+00 (-1/4)Del**2(Rho)) -0.1081269E+00 Diamond 0.5790930E+00 Metallicity 0.3831331E+01 Ellipticity 0.8958963E-02 Gb(Abramov) 0.1411296E+00 Vb(Abramov) -0.1741323E+00 Hb(Abramov) -0.3300268E-01 Ex_ueg -0.3743138E-01 Ec_ueg -0.5739786E-02 Delta_ex -0.4275182E-01 Delta_ec 0.1179123E-01 Delta_et -0.1482332E+00 Pxc 0.6521390E+01 Qxc -0.3625732E+01 3,-1 67 3 -1 -0.775545 3.028422 1.986437 Rho 0.1536491E+00 |GRAD(Rho)| 0.1423197E-14 GRAD(Rho)x 0.1145270E-14 GRAD(Rho)y -0.7312944E-15 GRAD(Rho)z -0.4231506E-15 Laplacian 0.6220826E+00 (-1/4)Del**2(Rho)) -0.1555207E+00 Diamond 0.1291540E+01 Metallicity 0.4882570E+01 Ellipticity 0.4841570E-01 Gb(Abramov) 0.2302372E+00 Vb(Abramov) -0.3049537E+00 Hb(Abramov) -0.7471653E-01 Ex_ueg -0.6077968E-01 Ec_ueg -0.8677517E-02 Delta_ex -0.6714412E-01 Delta_ec 0.1558544E-01 Delta_et -0.2079092E+00 Pxc 0.7004271E+01 Qxc -0.4308131E+01 3,-1 68 3 -1 0.945066 -3.070566 -1.712939 Rho 0.2279186E+00 |GRAD(Rho)| 0.4863228E-15 GRAD(Rho)x 0.4233809E-15 GRAD(Rho)y 0.2224241E-15 GRAD(Rho)z -0.8823796E-16 Laplacian 0.8838926E+00 (-1/4)Del**2(Rho)) -0.2209732E+00 Diamond 0.2905670E+01 Metallicity 0.6629995E+01 Ellipticity 0.9107525E-02 Gb(Abramov) 0.3914906E+00 Vb(Abramov) -0.5620080E+00 Hb(Abramov) -0.1705174E+00 Ex_ueg -0.1028233E+00 Ec_ueg -0.1360796E-01 Delta_ex -0.1051828E+00 Delta_ec 0.1949760E-01 Delta_et -0.2681585E+00 Pxc 0.7556112E+01 Qxc -0.5394656E+01 3,-1 69 3 -1 0.962206 -3.053821 1.713305 Rho 0.2268653E+00 |GRAD(Rho)| 0.1153269E-13 GRAD(Rho)x -0.1942240E-14 GRAD(Rho)y -0.9465193E-14 GRAD(Rho)z -0.6296096E-14 Laplacian 0.8835172E+00 (-1/4)Del**2(Rho)) -0.2208793E+00 Diamond 0.2884675E+01 Metallicity 0.6581802E+01 Ellipticity 0.9918695E-02 Gb(Abramov) 0.3895502E+00 Vb(Abramov) -0.5582210E+00 Hb(Abramov) -0.1686709E+00 Ex_ueg -0.1021902E+00 Ec_ueg -0.1353587E-01 Delta_ex -0.1049907E+00 Delta_ec 0.1947859E-01 Delta_et -0.2676912E+00 Pxc 0.7549579E+01 Qxc -0.5390056E+01 3,-1 70 3 +1 0.754271 -0.635245 1.523910 Rho 0.9252352E-02 |GRAD(Rho)| 0.1801694E-14 GRAD(Rho)x -0.9023324E-15 GRAD(Rho)y 0.1553490E-14 GRAD(Rho)z 0.1362581E-15 Laplacian 0.3974289E-01 (-1/4)Del**2(Rho)) -0.9935723E-02 Diamond 0.1195432E-02 Metallicity 0.7070346E+00 Ellipticity -0.1387614E+01 Gb(Abramov) 0.7794632E-02 Vb(Abramov) -0.5653541E-02 Hb(Abramov) 0.2141091E-02 Ex_ueg -0.1434568E-02 Ec_ueg -0.3342618E-03 Delta_ex -0.1857963E-02 Delta_ec 0.5741031E-03 Delta_et -0.3986469E-02 Pxc 0.4291751E+01 Qxc -0.3236287E+01 3,+1 71 3 +1 2.332393 -1.249426 -0.701155 Rho 0.2136276E-01 |GRAD(Rho)| 0.6639184E-14 GRAD(Rho)x 0.1914340E-14 GRAD(Rho)y -0.6029101E-14 GRAD(Rho)z -0.2015938E-14 Laplacian 0.8168768E-01 (-1/4)Del**2(Rho)) -0.2042192E-01 Diamond 0.9196313E-02 Metallicity 0.1387454E+01 Ellipticity -0.4565316E+01 Gb(Abramov) 0.1833703E-01 Vb(Abramov) -0.1625213E-01 Hb(Abramov) 0.2084893E-02 Ex_ueg -0.4377856E-02 Ec_ueg -0.9073884E-03 Delta_ex -0.4951756E-02 Delta_ec 0.1527380E-02 Delta_et -0.1292077E-01 Pxc 0.4824676E+01 Qxc -0.3241994E+01 3,+1 72 3 +1 2.088401 -0.000438 -2.045540 Rho 0.4520149E-02 |GRAD(Rho)| 0.6187524E-17 GRAD(Rho)x 0.1552931E-18 GRAD(Rho)y 0.5797673E-17 GRAD(Rho)z 0.2155999E-17 Laplacian 0.1849591E-01 (-1/4)Del**2(Rho)) -0.4623979E-02 Diamond 0.4028366E-03 Metallicity 0.4603894E+00 Ellipticity -0.4042842E+01 Gb(Abramov) 0.3437457E-02 Vb(Abramov) -0.2250936E-02 Hb(Abramov) 0.1186521E-02 Ex_ueg -0.5519784E-03 Ec_ueg -0.1263217E-03 Delta_ex -0.9298386E-03 Delta_ec 0.6321135E-03 Delta_et -0.3310059E-02 Pxc 0.4369626E+01 Qxc -0.1470999E+01 3,+1 73 3 +3 1.683923 -0.015399 -1.612178 Rho 0.3939133E-02 |GRAD(Rho)| 0.1387477E-16 GRAD(Rho)x 0.1159232E-16 GRAD(Rho)y 0.1884358E-17 GRAD(Rho)z 0.7387600E-17 Laplacian 0.1650263E-01 (-1/4)Del**2(Rho)) -0.4125658E-02 Diamond 0.1295914E-03 Metallicity 0.4102617E+00 Ellipticity -0.1707573E+00 Gb(Abramov) 0.3032539E-02 Vb(Abramov) -0.1939419E-02 Hb(Abramov) 0.1093119E-02 Ex_ueg -0.4594651E-03 Ec_ueg -0.1015490E-03 Delta_ex -0.5931315E-03 Delta_ec 0.1784189E-03 Delta_et -0.1042482E-02 Pxc 0.4524567E+01 Qxc -0.3324375E+01 3,+3 74 3 +3 1.725743 -0.024683 1.587896 Rho 0.3828160E-02 |GRAD(Rho)| 0.9632049E-17 GRAD(Rho)x 0.2040063E-17 GRAD(Rho)y 0.9135215E-17 GRAD(Rho)z -0.2272085E-17 Laplacian 0.1593774E-01 (-1/4)Del**2(Rho)) -0.3984436E-02 Diamond 0.1142395E-03 Metallicity 0.4050448E+00 Ellipticity -0.1657056E+00 Gb(Abramov) 0.2925270E-02 Vb(Abramov) -0.1866104E-02 Hb(Abramov) 0.1059166E-02 Ex_ueg -0.4422880E-03 Ec_ueg -0.9683762E-04 Delta_ex -0.5606436E-03 Delta_ec 0.1577052E-03 Delta_et -0.9323455E-03 Pxc 0.4567315E+01 Qxc -0.3555009E+01 3,+3 75 3 +1 2.136215 -0.007426 2.077239 Rho 0.4536677E-02 |GRAD(Rho)| 0.1122688E-14 GRAD(Rho)x 0.8752331E-15 GRAD(Rho)y -0.4007281E-15 GRAD(Rho)z -0.5777645E-15 Laplacian 0.1843282E-01 (-1/4)Del**2(Rho)) -0.4608204E-02 Diamond 0.4033623E-03 Metallicity 0.4647840E+00 Ellipticity -0.4000575E+01 Gb(Abramov) 0.3429106E-02 Vb(Abramov) -0.2250008E-02 Hb(Abramov) 0.1179098E-02 Ex_ueg -0.5546711E-03 Ec_ueg -0.1270289E-03 Delta_ex -0.9272136E-03 Delta_ec 0.6298204E-03 Delta_et -0.3301755E-02 Pxc 0.4366494E+01 Qxc -0.1472187E+01 3,+1 76 3 -1 1.512538 1.971505 -2.677306 Rho 0.1751794E+00 |GRAD(Rho)| 0.2370292E-13 GRAD(Rho)x 0.5111749E-14 GRAD(Rho)y 0.1484365E-13 GRAD(Rho)z 0.1775850E-13 Laplacian 0.6801681E+00 (-1/4)Del**2(Rho)) -0.1700420E+00 Diamond 0.1659346E+01 Metallicity 0.5556509E+01 Ellipticity 0.4109022E-01 Gb(Abramov) 0.2708347E+00 Vb(Abramov) -0.3716274E+00 Hb(Abramov) -0.1007927E+00 Ex_ueg -0.7239288E-01 Ec_ueg -0.1007440E-01 Delta_ex -0.7590205E-01 Delta_ec 0.1656936E-01 Delta_et -0.2248387E+00 Pxc 0.7185826E+01 Qxc -0.4580867E+01 3,-1 77 3 +3 -0.033750 2.228340 -0.012025 Rho 0.4184615E-02 |GRAD(Rho)| 0.1337772E-13 GRAD(Rho)x 0.9797155E-14 GRAD(Rho)y -0.7512054E-14 GRAD(Rho)z -0.5152486E-14 Laplacian 0.1727218E-01 (-1/4)Del**2(Rho)) -0.4318044E-02 Diamond 0.1203238E-03 Metallicity 0.4335361E+00 Ellipticity -0.3107243E+00 Gb(Abramov) 0.3190701E-02 Vb(Abramov) -0.2063357E-02 Hb(Abramov) 0.1127343E-02 Ex_ueg -0.4980341E-03 Ec_ueg -0.1119940E-03 Delta_ex -0.5984733E-03 Delta_ec 0.1302511E-03 Delta_et -0.8403519E-03 Pxc 0.4446971E+01 Qxc -0.4594767E+01 3,+3 78 3 +3 1.525068 0.985374 0.035491 Rho 0.3896349E-02 |GRAD(Rho)| 0.4656669E-17 GRAD(Rho)x -0.1394432E-18 GRAD(Rho)y -0.2554415E-17 GRAD(Rho)z -0.3891027E-17 Laplacian 0.1577344E-01 (-1/4)Del**2(Rho)) -0.3943360E-02 Diamond 0.9171146E-04 Metallicity 0.4214860E+00 Ellipticity -0.2350566E+00 Gb(Abramov) 0.2905918E-02 Vb(Abramov) -0.1868477E-02 Hb(Abramov) 0.1037441E-02 Ex_ueg -0.4528234E-03 Ec_ueg -0.9973182E-04 Delta_ex -0.5261209E-03 Delta_ec 0.1003986E-03 Delta_et -0.6692368E-03 Pxc 0.4540411E+01 Qxc -0.5240323E+01 3,+3 79 3 +1 2.518208 1.788266 0.046368 Rho 0.1270682E-01 |GRAD(Rho)| 0.2265295E-16 GRAD(Rho)x 0.1062386E-16 GRAD(Rho)y -0.1775296E-16 GRAD(Rho)z -0.9226167E-17 Laplacian 0.6335539E-01 (-1/4)Del**2(Rho)) -0.1583885E-01 Diamond 0.2687885E-02 Metallicity 0.7525885E+00 Ellipticity -0.1261133E+01 Gb(Abramov) 0.1254592E-01 Vb(Abramov) -0.9252994E-02 Hb(Abramov) 0.3292927E-02 Ex_ueg -0.2189950E-02 Ec_ueg -0.4922957E-03 Delta_ex -0.3146103E-02 Delta_ec 0.7945526E-03 Delta_et -0.6062258E-02 Pxc 0.4448443E+01 Qxc -0.3959590E+01 3,+1 80 3 -1 0.856473 1.615144 1.558493 Rho 0.3282079E-01 |GRAD(Rho)| 0.3271249E-16 GRAD(Rho)x -0.2795135E-16 GRAD(Rho)y -0.1093287E-16 GRAD(Rho)z -0.1301159E-16 Laplacian 0.1205827E+00 (-1/4)Del**2(Rho)) -0.3014567E-01 Diamond 0.3295563E-01 Metallicity 0.1922693E+01 Ellipticity 0.9604996E-01 Gb(Abramov) 0.2975726E-01 Vb(Abramov) -0.2936885E-01 Hb(Abramov) 0.3884101E-03 Ex_ueg -0.7760990E-02 Ec_ueg -0.1490004E-02 Delta_ex -0.8826195E-02 Delta_ec 0.3396103E-02 Delta_et -0.3197921E-01 Pxc 0.5208705E+01 Qxc -0.2598919E+01 3,-1 81 3 -1 1.520810 1.965508 2.697412 Rho 0.1728486E+00 |GRAD(Rho)| 0.1147804E-12 GRAD(Rho)x 0.6335319E-13 GRAD(Rho)y 0.3748933E-13 GRAD(Rho)z 0.8806511E-13 Laplacian 0.6721976E+00 (-1/4)Del**2(Rho)) -0.1680494E+00 Diamond 0.1611073E+01 Metallicity 0.5498268E+01 Ellipticity 0.4207418E-01 Gb(Abramov) 0.2660297E+00 Vb(Abramov) -0.3640100E+00 Hb(Abramov) -0.9798031E-01 Ex_ueg -0.7111144E-01 Ec_ueg -0.9921860E-02 Delta_ex -0.7473923E-01 Delta_ec 0.1639328E-01 Delta_et -0.2220067E+00 Pxc 0.7167148E+01 Qxc -0.4559139E+01 3,-1 82 3 -1 1.642163 2.763189 -0.854195 Rho 0.1310353E+00 |GRAD(Rho)| 0.4465601E-15 GRAD(Rho)x -0.4251174E-16 GRAD(Rho)y -0.7424074E-16 GRAD(Rho)z 0.4382887E-15 Laplacian 0.5466994E+00 (-1/4)Del**2(Rho)) -0.1366749E+00 Diamond 0.9449608E+00 Metallicity 0.4261003E+01 Ellipticity 0.1511961E-01 Gb(Abramov) 0.1881786E+00 Vb(Abramov) -0.2396823E+00 Hb(Abramov) -0.5150371E-01 Ex_ueg -0.4915521E-01 Ec_ueg -0.7240793E-02 Delta_ex -0.5684601E-01 Delta_ec 0.1440218E-01 Delta_et -0.1879909E+00 Pxc 0.6788650E+01 Qxc -0.3947041E+01 3,-1 83 3 -1 1.685275 2.744679 0.898777 Rho 0.1456338E+00 |GRAD(Rho)| 0.1381087E-15 GRAD(Rho)x 0.4936847E-16 GRAD(Rho)y 0.8243325E-16 GRAD(Rho)z 0.9920450E-16 Laplacian 0.6064968E+00 (-1/4)Del**2(Rho)) -0.1516242E+00 Diamond 0.1185330E+01 Metallicity 0.4580241E+01 Ellipticity 0.9515959E-02 Gb(Abramov) 0.2168287E+00 Vb(Abramov) -0.2820332E+00 Hb(Abramov) -0.6520451E-01 Ex_ueg -0.5658935E-01 Ec_ueg -0.8164604E-02 Delta_ex -0.6465249E-01 Delta_ec 0.1548457E-01 Delta_et -0.2052331E+00 Pxc 0.6931059E+01 Qxc -0.4175285E+01 3,-1 84 3 +1 0.113304 2.074514 1.668357 Rho 0.2113892E-01 |GRAD(Rho)| 0.2641342E-16 GRAD(Rho)x 0.1162173E-16 GRAD(Rho)y -0.2334331E-16 GRAD(Rho)z -0.4206395E-17 Laplacian 0.7913193E-01 (-1/4)Del**2(Rho)) -0.1978298E-01 Diamond 0.8263793E-02 Metallicity 0.1407341E+01 Ellipticity -0.3469847E+01 Gb(Abramov) 0.1782889E-01 Vb(Abramov) -0.1587480E-01 Hb(Abramov) 0.1954093E-02 Ex_ueg -0.4316802E-02 Ec_ueg -0.8963520E-03 Delta_ex -0.4713494E-02 Delta_ec 0.1354218E-02 Delta_et -0.1146356E-01 Pxc 0.4815968E+01 Qxc -0.3480603E+01 3,+1 85 3 -1 0.844280 2.966364 1.989700 Rho 0.1219054E+00 |GRAD(Rho)| 0.1298282E-13 GRAD(Rho)x 0.1159252E-13 GRAD(Rho)y -0.5703479E-14 GRAD(Rho)z -0.1279645E-14 Laplacian 0.4870637E+00 (-1/4)Del**2(Rho)) -0.1217659E+00 Diamond 0.7741505E+00 Metallicity 0.4240323E+01 Ellipticity 0.1196074E-01 Gb(Abramov) 0.1672318E+00 Vb(Abramov) -0.2126976E+00 Hb(Abramov) -0.4546583E-01 Ex_ueg -0.4464255E-01 Ec_ueg -0.6670139E-02 Delta_ex -0.4980481E-01 Delta_ec 0.1310524E-01 Delta_et -0.1690941E+00 Pxc 0.6692896E+01 Qxc -0.3800372E+01 3,-1 86 3 -1 2.296267 -3.200910 -2.316296 Rho 0.2251338E+00 |GRAD(Rho)| 0.6744509E-13 GRAD(Rho)x -0.5292419E-13 GRAD(Rho)y 0.2340261E-13 GRAD(Rho)z 0.3464373E-13 Laplacian 0.8309156E+00 (-1/4)Del**2(Rho)) -0.2077289E+00 Diamond 0.2726055E+01 Metallicity 0.6909671E+01 Ellipticity 0.1801587E-01 Gb(Abramov) 0.3777090E+00 Vb(Abramov) -0.5476891E+00 Hb(Abramov) -0.1699801E+00 Ex_ueg -0.1011516E+00 Ec_ueg -0.1341751E-01 Delta_ex -0.9876368E-01 Delta_ec 0.1875327E-01 Delta_et -0.2592707E+00 Pxc 0.7538773E+01 Qxc -0.5266478E+01 3,-1 87 3 -1 2.088822 -3.022484 -0.800130 Rho 0.1389264E+00 |GRAD(Rho)| 0.2868219E-12 GRAD(Rho)x -0.7639032E-13 GRAD(Rho)y 0.8103591E-13 GRAD(Rho)z -0.2643190E-12 Laplacian 0.5408324E+00 (-1/4)Del**2(Rho)) -0.1352081E+00 Diamond 0.1010326E+01 Metallicity 0.4748157E+01 Ellipticity 0.3692891E-01 Gb(Abramov) 0.1971370E+00 Vb(Abramov) -0.2590658E+00 Hb(Abramov) -0.6192886E-01 Ex_ueg -0.5314121E-01 Ec_ueg -0.7738457E-02 Delta_ex -0.5712010E-01 Delta_ec 0.1419560E-01 Delta_et -0.1873111E+00 Pxc 0.6867158E+01 Qxc -0.4023789E+01 3,-1 88 3 -1 2.095759 -3.012337 0.797500 Rho 0.1374289E+00 |GRAD(Rho)| 0.4523572E-14 GRAD(Rho)x -0.1084480E-14 GRAD(Rho)y 0.1252335E-14 GRAD(Rho)z 0.4209307E-14 Laplacian 0.5340238E+00 (-1/4)Del**2(Rho)) -0.1335060E+00 Diamond 0.9853643E+00 Metallicity 0.4722618E+01 Ellipticity 0.3515449E-01 Gb(Abramov) 0.1940869E+00 Vb(Abramov) -0.2546679E+00 Hb(Abramov) -0.6058096E-01 Ex_ueg -0.5237885E-01 Ec_ueg -0.7643708E-02 Delta_ex -0.5626049E-01 Delta_ec 0.1406677E-01 Delta_et -0.1853238E+00 Pxc 0.6852545E+01 Qxc -0.3999531E+01 3,-1 89 3 +1 -1.781526 0.485287 0.746129 Rho 0.6472797E-02 |GRAD(Rho)| 0.1123370E-16 GRAD(Rho)x 0.6952446E-17 GRAD(Rho)y 0.3361027E-17 GRAD(Rho)z -0.8158621E-17 Laplacian 0.2585867E-01 (-1/4)Del**2(Rho)) -0.6464668E-02 Diamond 0.6400645E-03 Metallicity 0.5990921E+00 Ellipticity -0.1736310E+01 Gb(Abramov) 0.4955267E-02 Vb(Abramov) -0.3445866E-02 Hb(Abramov) 0.1509401E-02 Ex_ueg -0.8909248E-03 Ec_ueg -0.2108336E-03 Delta_ex -0.1212188E-02 Delta_ec 0.5635028E-03 Delta_et -0.3403912E-02 Pxc 0.4225724E+01 Qxc -0.2151166E+01 3,+1 90 3 -1 2.316872 -3.173313 2.314580 Rho 0.2252509E+00 |GRAD(Rho)| 0.2695665E-13 GRAD(Rho)x -0.2575782E-13 GRAD(Rho)y -0.5918226E-14 GRAD(Rho)z -0.5307549E-14 Laplacian 0.8316412E+00 (-1/4)Del**2(Rho)) -0.2079103E+00 Diamond 0.2730309E+01 Metallicity 0.6909631E+01 Ellipticity 0.1875138E-01 Gb(Abramov) 0.3780374E+00 Vb(Abramov) -0.5481646E+00 Hb(Abramov) -0.1701271E+00 Ex_ueg -0.1012218E+00 Ec_ueg -0.1342551E-01 Delta_ex -0.9886422E-01 Delta_ec 0.1876854E-01 Delta_et -0.2594958E+00 Pxc 0.7539507E+01 Qxc -0.5267548E+01 3,-1 91 3 +1 2.985946 -2.000169 -0.013439 Rho 0.1222877E-01 |GRAD(Rho)| 0.1863644E-16 GRAD(Rho)x 0.6265397E-17 GRAD(Rho)y 0.1724014E-16 GRAD(Rho)z -0.3292321E-17 Laplacian 0.5633115E-01 (-1/4)Del**2(Rho)) -0.1408279E-01 Diamond 0.2039592E-02 Metallicity 0.7940281E+00 Ellipticity -0.1232009E+01 Gb(Abramov) 0.1125221E-01 Vb(Abramov) -0.8421639E-02 Hb(Abramov) 0.2830574E-02 Ex_ueg -0.2080792E-02 Ec_ueg -0.4701401E-03 Delta_ex -0.2704752E-02 Delta_ec 0.5918970E-03 Delta_et -0.4564715E-02 Pxc 0.4425899E+01 Qxc -0.4569632E+01 3,+1 92 3 +3 2.643129 -1.803195 -0.017238 Rho 0.1153494E-01 |GRAD(Rho)| 0.2082173E-16 GRAD(Rho)x -0.1347279E-16 GRAD(Rho)y -0.6467466E-17 GRAD(Rho)z 0.1449829E-16 Laplacian 0.5172816E-01 (-1/4)Del**2(Rho)) -0.1293204E-01 Diamond 0.1017319E-02 Metallicity 0.7844732E+00 Ellipticity -0.4303642E+00 Gb(Abramov) 0.1031217E-01 Vb(Abramov) -0.7692293E-02 Hb(Abramov) 0.2619874E-02 Ex_ueg -0.1924887E-02 Ec_ueg -0.4381428E-03 Delta_ex -0.2228138E-02 Delta_ec 0.1568804E-03 Delta_et -0.1568556E-02 Pxc 0.4393288E+01 Qxc -0.1420278E+02 3,+3 93 3 -1 2.704676 -1.987376 -1.525097 Rho 0.8097205E-01 |GRAD(Rho)| 0.2785527E-15 GRAD(Rho)x -0.1718460E-15 GRAD(Rho)y -0.2138199E-15 GRAD(Rho)z -0.4839015E-16 Laplacian 0.3260689E+00 (-1/4)Del**2(Rho)) -0.8151723E-01 Diamond 0.3103501E+00 Metallicity 0.3202794E+01 Ellipticity 0.7028561E-02 Gb(Abramov) 0.9785864E-01 Vb(Abramov) -0.1142000E+00 Hb(Abramov) -0.1634140E-01 Ex_ueg -0.2587211E-01 Ec_ueg -0.4187641E-02 Delta_ex -0.3018585E-01 Delta_ec 0.9355511E-02 Delta_et -0.1110260E+00 Pxc 0.6178208E+01 Qxc -0.3226532E+01 3,-1 94 3 -1 2.700887 -1.962168 1.509023 Rho 0.8585059E-01 |GRAD(Rho)| 0.4512158E-14 GRAD(Rho)x -0.3046232E-14 GRAD(Rho)y -0.3070749E-14 GRAD(Rho)z 0.1284735E-14 Laplacian 0.3466769E+00 (-1/4)Del**2(Rho)) -0.8666923E-01 Diamond 0.3549374E+00 Metallicity 0.3320935E+01 Ellipticity 0.1033009E-01 Gb(Abramov) 0.1057500E+00 Vb(Abramov) -0.1248307E+00 Hb(Abramov) -0.1908073E-01 Ex_ueg -0.2797109E-01 Ec_ueg -0.4476226E-02 Delta_ex -0.3254073E-01 Delta_ec 0.9853397E-02 Delta_et -0.1184563E+00 Pxc 0.6248811E+01 Qxc -0.3302488E+01 3,-1 95 3 +1 2.335904 -1.214331 0.661511 Rho 0.2218753E-01 |GRAD(Rho)| 0.1400949E-13 GRAD(Rho)x 0.7040526E-14 GRAD(Rho)y -0.9001952E-14 GRAD(Rho)z 0.8103186E-14 Laplacian 0.8653233E-01 (-1/4)Del**2(Rho)) -0.2163308E-01 Diamond 0.1060642E-01 Metallicity 0.1395135E+01 Ellipticity -0.6082888E+01 Gb(Abramov) 0.1945224E-01 Vb(Abramov) -0.1727139E-01 Hb(Abramov) 0.2180848E-02 Ex_ueg -0.4604654E-02 Ec_ueg -0.9481806E-03 Delta_ex -0.5341350E-02 Delta_ec 0.1696381E-02 Delta_et -0.1446872E-01 Pxc 0.4856305E+01 Qxc -0.3148674E+01 3,+1 96 3 -1 3.284033 0.578617 -0.671335 Rho 0.1374435E+00 |GRAD(Rho)| 0.4496123E-14 GRAD(Rho)x 0.1955745E-14 GRAD(Rho)y -0.3422637E-14 GRAD(Rho)z 0.2162346E-14 Laplacian 0.5780398E+00 (-1/4)Del**2(Rho)) -0.1445100E+00 Diamond 0.1056320E+01 Metallicity 0.4363775E+01 Ellipticity 0.1069785E-01 Gb(Abramov) 0.2014415E+00 Vb(Abramov) -0.2583730E+00 Hb(Abramov) -0.5693151E-01 Ex_ueg -0.5238625E-01 Ec_ueg -0.7644628E-02 Delta_ex -0.6078285E-01 Delta_ec 0.1501804E-01 Delta_et -0.1974451E+00 Pxc 0.6852688E+01 Qxc -0.4047321E+01 3,-1 97 3 -1 3.327679 0.577645 0.683717 Rho 0.1123672E+00 |GRAD(Rho)| 0.5141938E-13 GRAD(Rho)x 0.2229650E-13 GRAD(Rho)y -0.3660398E-13 GRAD(Rho)z -0.2840717E-13 Laplacian 0.4712713E+00 (-1/4)Del**2(Rho)) -0.1178178E+00 Diamond 0.6796009E+00 Metallicity 0.3825971E+01 Ellipticity 0.1273349E-01 Gb(Abramov) 0.1536731E+00 Vb(Abramov) -0.1895285E+00 Hb(Abramov) -0.3585531E-01 Ex_ueg -0.4004712E-01 Ec_ueg -0.6080120E-02 Delta_ex -0.4727453E-01 Delta_ec 0.1293359E-01 Delta_et -0.1644768E+00 Pxc 0.6586568E+01 Qxc -0.3655175E+01 3,-1 98 3 +1 0.741405 -0.626673 -1.536271 Rho 0.9156594E-02 |GRAD(Rho)| 0.8851005E-17 GRAD(Rho)x -0.6429394E-18 GRAD(Rho)y -0.1455091E-17 GRAD(Rho)z 0.8706873E-17 Laplacian 0.3946137E-01 (-1/4)Del**2(Rho)) -0.9865342E-02 Diamond 0.1179890E-02 Metallicity 0.6998382E+00 Ellipticity -0.1389116E+01 Gb(Abramov) 0.7727585E-02 Vb(Abramov) -0.5589828E-02 Hb(Abramov) 0.2137757E-02 Ex_ueg -0.1414806E-02 Ec_ueg -0.3299519E-03 Delta_ex -0.1843939E-02 Delta_ec 0.5771745E-03 Delta_et -0.3991529E-02 Pxc 0.4287917E+01 Qxc -0.3194769E+01 3,+1 99 3 +1 -0.802221 1.651119 0.005614 Rho 0.7425669E-02 |GRAD(Rho)| 0.3533715E-13 GRAD(Rho)x -0.1716415E-13 GRAD(Rho)y 0.1006783E-13 GRAD(Rho)z -0.2920179E-13 Laplacian 0.3034945E-01 (-1/4)Del**2(Rho)) -0.7587362E-02 Diamond 0.6859128E-03 Metallicity 0.6417340E+00 Ellipticity -0.1371530E+01 Gb(Abramov) 0.5869753E-02 Vb(Abramov) -0.4152143E-02 Hb(Abramov) 0.1717609E-02 Ex_ueg -0.1069956E-02 Ec_ueg -0.2527477E-03 Delta_ex -0.1347670E-02 Delta_ec 0.4474897E-03 Delta_et -0.2927458E-02 Pxc 0.4233296E+01 Qxc -0.3011623E+01 3,+1 100 3 +1 -1.854857 0.426976 -0.721587 Rho 0.6403410E-02 |GRAD(Rho)| 0.1022306E-16 GRAD(Rho)x 0.4689174E-17 GRAD(Rho)y -0.8165398E-17 GRAD(Rho)z 0.3981055E-17 Laplacian 0.2492132E-01 (-1/4)Del**2(Rho)) -0.6230331E-02 Diamond 0.6581470E-03 Metallicity 0.6105588E+00 Ellipticity -0.2097456E+01 Gb(Abramov) 0.4787551E-02 Vb(Abramov) -0.3344772E-02 Hb(Abramov) 0.1442780E-02 Ex_ueg -0.8782135E-03 Ec_ueg -0.2077983E-03 Delta_ex -0.1198954E-02 Delta_ec 0.6029190E-03 Delta_et -0.3597129E-02 Pxc 0.4226278E+01 Qxc -0.1988582E+01 3,+1 101 3 -1 -1.545537 1.981144 -2.706429 Rho 0.1468831E+00 |GRAD(Rho)| 0.4962284E-13 GRAD(Rho)x 0.1787876E-13 GRAD(Rho)y -0.4410983E-13 GRAD(Rho)z -0.1403920E-13 Laplacian 0.5776352E+00 (-1/4)Del**2(Rho)) -0.1444088E+00 Diamond 0.1149586E+01 Metallicity 0.4878048E+01 Ellipticity 0.4547889E-01 Gb(Abramov) 0.2136780E+00 Vb(Abramov) -0.2829473E+00 Hb(Abramov) -0.6926924E-01 Ex_ueg -0.5723754E-01 Ec_ueg -0.8244289E-02 Delta_ex -0.6179727E-01 Delta_ec 0.1488163E-01 Delta_et -0.1978525E+00 Pxc 0.6942690E+01 Qxc -0.4152588E+01 3,-1 102 3 +1 -0.764847 1.248026 2.257123 Rho 0.2480434E-01 |GRAD(Rho)| 0.8949719E-16 GRAD(Rho)x 0.3958039E-16 GRAD(Rho)y -0.2838543E-16 GRAD(Rho)z -0.7508267E-16 Laplacian 0.9616330E-01 (-1/4)Del**2(Rho)) -0.2404083E-01 Diamond 0.1287946E-01 Metallicity 0.1511762E+01 Ellipticity -0.4654978E+01 Gb(Abramov) 0.2208455E-01 Vb(Abramov) -0.2012827E-01 Hb(Abramov) 0.1956276E-02 Ex_ueg -0.5342633E-02 Ec_ueg -0.1078868E-02 Delta_ex -0.6016335E-02 Delta_ec 0.1717578E-02 Delta_et -0.1511189E-01 Pxc 0.4952072E+01 Qxc -0.3502801E+01 3,+1 103 3 -1 -0.794260 0.809778 3.452552 Rho 0.1219983E+00 |GRAD(Rho)| 0.1522587E-09 GRAD(Rho)x -0.9255471E-10 GRAD(Rho)y 0.1205649E-09 GRAD(Rho)z -0.8968078E-11 Laplacian 0.4755561E+00 (-1/4)Del**2(Rho)) -0.1188890E+00 Diamond 0.7622354E+00 Metallicity 0.4348450E+01 Ellipticity 0.2428508E-01 Gb(Abramov) 0.1654232E+00 Vb(Abramov) -0.2119573E+00 Hb(Abramov) -0.4653416E-01 Ex_ueg -0.4468793E-01 Ec_ueg -0.6675918E-02 Delta_ex -0.4871149E-01 Delta_ec 0.1292646E-01 Delta_et -0.1670323E+00 Pxc 0.6693899E+01 Qxc -0.3768356E+01 3,-1 104 3 -1 -0.094388 0.375358 2.348558 Rho 0.4874104E-01 |GRAD(Rho)| 0.1684137E-15 GRAD(Rho)x -0.7049405E-17 GRAD(Rho)y -0.5068264E-16 GRAD(Rho)z 0.1604518E-15 Laplacian 0.1813335E+00 (-1/4)Del**2(Rho)) -0.4533338E-01 Diamond 0.8840263E-01 Metallicity 0.2471495E+01 Ellipticity 0.2021354E-01 Gb(Abramov) 0.4889579E-01 Vb(Abramov) -0.5245820E-01 Hb(Abramov) -0.3562410E-02 Ex_ueg -0.1314957E-01 Ec_ueg -0.2345402E-02 Delta_ex -0.1481326E-01 Delta_ec 0.5373151E-02 Delta_et -0.5627391E-01 Pxc 0.5606529E+01 Qxc -0.2756904E+01 3,-1 105 3 +1 -0.768163 1.221698 -2.280147 Rho 0.2528116E-01 |GRAD(Rho)| 0.2177515E-16 GRAD(Rho)x 0.2015600E-17 GRAD(Rho)y 0.1334657E-16 GRAD(Rho)z -0.1708694E-16 Laplacian 0.9851025E-01 (-1/4)Del**2(Rho)) -0.2462756E-01 Diamond 0.1360302E-01 Metallicity 0.1523328E+01 Ellipticity -0.4972945E+01 Gb(Abramov) 0.2267102E-01 Vb(Abramov) -0.2071447E-01 Hb(Abramov) 0.1956544E-02 Ex_ueg -0.5480007E-02 Ec_ueg -0.1102881E-02 Delta_ex -0.6200678E-02 Delta_ec 0.1770804E-02 Delta_et -0.1565179E-01 Pxc 0.4968812E+01 Qxc -0.3501617E+01 3,+1 106 3 -1 -0.749524 0.813996 -3.484666 Rho 0.1285779E+00 |GRAD(Rho)| 0.8596802E-13 GRAD(Rho)x -0.2324322E-13 GRAD(Rho)y -0.8231428E-13 GRAD(Rho)z 0.8637855E-14 Laplacian 0.5022723E+00 (-1/4)Del**2(Rho)) -0.1255681E+00 Diamond 0.8560645E+00 Metallicity 0.4493840E+01 Ellipticity 0.3007775E-01 Gb(Abramov) 0.1777592E+00 Vb(Abramov) -0.2299503E+00 Hb(Abramov) -0.5219111E-01 Ex_ueg -0.4792991E-01 Ec_ueg -0.7086641E-02 Delta_ex -0.5207971E-01 Delta_ec 0.1345374E-01 Delta_et -0.1753637E+00 Pxc 0.6763417E+01 Qxc -0.3871022E+01 3,-1 107 3 -1 -0.936072 1.612818 -1.540946 Rho 0.3711978E-01 |GRAD(Rho)| 0.8043817E-13 GRAD(Rho)x -0.7959965E-13 GRAD(Rho)y -0.1126159E-13 GRAD(Rho)z 0.2715188E-14 Laplacian 0.1363340E+00 (-1/4)Del**2(Rho)) -0.3408350E-01 Diamond 0.4488785E-01 Metallicity 0.2087780E+01 Ellipticity 0.1530985E-01 Gb(Abramov) 0.3458214E-01 Vb(Abramov) -0.3508078E-01 Hb(Abramov) -0.4986391E-03 Ex_ueg -0.9145179E-02 Ec_ueg -0.1716372E-02 Delta_ex -0.1034213E-01 Delta_ec 0.3932156E-02 Delta_et -0.3828659E-01 Pxc 0.5328202E+01 Qxc -0.2630143E+01 3,-1 108 3 +3 -0.017927 1.802798 -2.559362 Rho 0.1163466E-01 |GRAD(Rho)| 0.7253679E-15 GRAD(Rho)x 0.6404622E-15 GRAD(Rho)y -0.2473821E-15 GRAD(Rho)z -0.2340276E-15 Laplacian 0.5251223E-01 (-1/4)Del**2(Rho)) -0.1312806E-01 Diamond 0.1058637E-02 Metallicity 0.7839267E+00 Ellipticity -0.5267871E+00 Gb(Abramov) 0.1046728E-01 Vb(Abramov) -0.7806497E-02 Hb(Abramov) 0.2660780E-02 Ex_ueg -0.1947107E-02 Ec_ueg -0.4427299E-03 Delta_ex -0.2271715E-02 Delta_ec 0.1664244E-03 Delta_et -0.1640799E-02 Pxc 0.4397957E+01 Qxc -0.1365013E+02 3,+3 109 3 +1 -0.121614 2.067176 -1.652844 Rho 0.2207571E-01 |GRAD(Rho)| 0.2120493E-15 GRAD(Rho)x 0.2116973E-15 GRAD(Rho)y -0.1106957E-16 GRAD(Rho)z 0.5160429E-17 Laplacian 0.8414217E-01 (-1/4)Del**2(Rho)) -0.2103554E-01 Diamond 0.9668957E-02 Metallicity 0.1422735E+01 Ellipticity -0.4175758E+01 Gb(Abramov) 0.1901170E-01 Vb(Abramov) -0.1698785E-01 Hb(Abramov) 0.2023847E-02 Ex_ueg -0.4573739E-02 Ec_ueg -0.9426388E-03 Delta_ex -0.5113536E-02 Delta_ec 0.1518303E-02 Delta_et -0.1296853E-01 Pxc 0.4852059E+01 Qxc -0.3367929E+01 3,+1 110 3 +3 -0.021362 1.810503 2.551715 Rho 0.1167207E-01 |GRAD(Rho)| 0.8654342E-16 GRAD(Rho)x -0.7805659E-17 GRAD(Rho)y -0.6729032E-16 GRAD(Rho)z -0.5385952E-16 Laplacian 0.5261164E-01 (-1/4)Del**2(Rho)) -0.1315291E-01 Diamond 0.1047818E-02 Metallicity 0.7866427E+00 Ellipticity -0.5131908E+00 Gb(Abramov) 0.1049305E-01 Vb(Abramov) -0.7833183E-02 Hb(Abramov) 0.2659863E-02 Ex_ueg -0.1955459E-02 Ec_ueg -0.4444516E-03 Delta_ex -0.2272902E-02 Delta_ec 0.1573087E-03 Delta_et -0.1581343E-02 Pxc 0.4399711E+01 Qxc -0.1444867E+02 3,+3 111 3 +1 -0.022661 2.030911 2.855304 Rho 0.1227338E-01 |GRAD(Rho)| 0.2248990E-16 GRAD(Rho)x 0.2179691E-16 GRAD(Rho)y -0.3033172E-18 GRAD(Rho)z 0.5531588E-17 Laplacian 0.5731939E-01 (-1/4)Del**2(Rho)) -0.1432985E-01 Diamond 0.2044774E-02 Metallicity 0.7850883E+00 Ellipticity -0.1204840E+01 Gb(Abramov) 0.1142826E-01 Vb(Abramov) -0.8526681E-02 Hb(Abramov) 0.2901583E-02 Ex_ueg -0.2090919E-02 Ec_ueg -0.4722038E-03 Delta_ex -0.2743421E-02 Delta_ec 0.5817374E-03 Delta_et -0.4509317E-02 Pxc 0.4428002E+01 Qxc -0.4715910E+01 3,+1 112 3 -1 0.595419 -0.645499 3.179048 Rho 0.1451064E+00 |GRAD(Rho)| 0.1123957E-14 GRAD(Rho)x -0.7808424E-15 GRAD(Rho)y 0.6456017E-15 GRAD(Rho)z 0.4865832E-15 Laplacian 0.5988616E+00 (-1/4)Del**2(Rho)) -0.1497154E+00 Diamond 0.1175398E+01 Metallicity 0.4610674E+01 Ellipticity 0.8526434E-02 Gb(Abramov) 0.2148584E+00 Vb(Abramov) -0.2800014E+00 Hb(Abramov) -0.6514301E-01 Ex_ueg -0.5631627E-01 Ec_ueg -0.8130994E-02 Delta_ex -0.6388683E-01 Delta_ec 0.1549066E-01 Delta_et -0.2056187E+00 Pxc 0.6926124E+01 Qxc -0.4124215E+01 3,-1 113 3 -1 -0.094668 0.374088 -2.362939 Rho 0.4688127E-01 |GRAD(Rho)| 0.6077263E-16 GRAD(Rho)x -0.8220865E-17 GRAD(Rho)y -0.2283304E-16 GRAD(Rho)z -0.5571698E-16 Laplacian 0.1749217E+00 (-1/4)Del**2(Rho)) -0.4373042E-01 Diamond 0.8082994E-01 Metallicity 0.2401238E+01 Ellipticity 0.1961234E-01 Gb(Abramov) 0.4665480E-01 Vb(Abramov) -0.4957918E-01 Hb(Abramov) -0.2924381E-02 Ex_ueg -0.1248487E-01 Ec_ueg -0.2243221E-02 Delta_ex -0.1414796E-01 Delta_ec 0.5180161E-02 Delta_et -0.5370039E-01 Pxc 0.5565602E+01 Qxc -0.2731182E+01 3,-1 114 3 +1 1.723341 -2.206040 -0.000088 Rho 0.2653147E-01 |GRAD(Rho)| 0.3666889E-16 GRAD(Rho)x -0.3012823E-16 GRAD(Rho)y 0.1947645E-16 GRAD(Rho)z 0.7587198E-17 Laplacian 0.1047140E+00 (-1/4)Del**2(Rho)) -0.2617850E-01 Diamond 0.1547948E-01 Metallicity 0.1553140E+01 Ellipticity -0.5402031E+01 Gb(Abramov) 0.2422881E-01 Vb(Abramov) -0.2227912E-01 Hb(Abramov) 0.1949688E-02 Ex_ueg -0.5844312E-02 Ec_ueg -0.1166126E-02 Delta_ex -0.6678861E-02 Delta_ec 0.1887198E-02 Delta_et -0.1688069E-01 Pxc 0.5011733E+01 Qxc -0.3539036E+01 3,+1 115 3 -1 1.508929 -1.874702 -2.340143 Rho 0.1396748E+00 |GRAD(Rho)| 0.3347873E-14 GRAD(Rho)x 0.2898533E-14 GRAD(Rho)y 0.1358641E-15 GRAD(Rho)z 0.1669820E-14 Laplacian 0.5782698E+00 (-1/4)Del**2(Rho)) -0.1445675E+00 Diamond 0.1085420E+01 Metallicity 0.4480700E+01 Ellipticity 0.3471295E-02 Gb(Abramov) 0.2043389E+00 Vb(Abramov) -0.2641103E+00 Hb(Abramov) -0.5977142E-01 Ex_ueg -0.5352323E-01 Ec_ueg -0.7785863E-02 Delta_ex -0.6113359E-01 Delta_ec 0.1512263E-01 Delta_et -0.1996358E+00 Pxc 0.6874413E+01 Qxc -0.4042525E+01 3,-1 116 3 -1 1.474349 -1.808152 -0.851030 Rho 0.4471108E-01 |GRAD(Rho)| 0.1503790E-15 GRAD(Rho)x -0.2502146E-16 GRAD(Rho)y 0.1079179E-15 GRAD(Rho)z 0.1016931E-15 Laplacian 0.1667919E+00 (-1/4)Del**2(Rho)) -0.4169797E-01 Diamond 0.7205640E-01 Metallicity 0.2327002E+01 Ellipticity 0.2534930E-01 Gb(Abramov) 0.4397053E-01 Vb(Abramov) -0.4624309E-01 Hb(Abramov) -0.2272556E-02 Ex_ueg -0.1172030E-01 Ec_ueg -0.2124678E-02 Delta_ex -0.1332084E-01 Delta_ec 0.4922638E-02 Delta_et -0.5039219E-01 Pxc 0.5516270E+01 Qxc -0.2706037E+01 3,-1 117 3 -1 1.481502 -1.797256 0.842047 Rho 0.4484792E-01 |GRAD(Rho)| 0.2448667E-15 GRAD(Rho)x -0.5775822E-16 GRAD(Rho)y 0.1894635E-15 GRAD(Rho)z -0.1439698E-15 Laplacian 0.1672899E+00 (-1/4)Del**2(Rho)) -0.4182247E-01 Diamond 0.7254923E-01 Metallicity 0.2331921E+01 Ellipticity 0.2135826E-01 Gb(Abramov) 0.4413610E-01 Vb(Abramov) -0.4644973E-01 Hb(Abramov) -0.2313629E-02 Ex_ueg -0.1176815E-01 Ec_ueg -0.2132130E-02 Delta_ex -0.1336968E-01 Delta_ec 0.4935161E-02 Delta_et -0.5056087E-01 Pxc 0.5519433E+01 Qxc -0.2709066E+01 3,-1 118 3 -1 1.511226 -1.856583 2.341102 Rho 0.1370073E+00 |GRAD(Rho)| 0.3703493E-13 GRAD(Rho)x -0.2336392E-13 GRAD(Rho)y 0.2737173E-13 GRAD(Rho)z -0.8746544E-14 Laplacian 0.5678051E+00 (-1/4)Del**2(Rho)) -0.1419513E+00 Diamond 0.1042087E+01 Metallicity 0.4418959E+01 Ellipticity 0.3567409E-02 Gb(Abramov) 0.1991803E+00 Vb(Abramov) -0.2564094E+00 Hb(Abramov) -0.5722906E-01 Ex_ueg -0.5216469E-01 Ec_ueg -0.7617055E-02 Delta_ex -0.5975527E-01 Delta_ec 0.1493257E-01 Delta_et -0.1965654E+00 Pxc 0.6848407E+01 Qxc -0.4001675E+01 3,-1 119 3 -1 -1.723303 2.784938 -0.866937 Rho 0.1315799E+00 |GRAD(Rho)| 0.7001002E-15 GRAD(Rho)x -0.7493023E-16 GRAD(Rho)y -0.1662014E-15 GRAD(Rho)z -0.6759458E-15 Laplacian 0.5421587E+00 (-1/4)Del**2(Rho)) -0.1355397E+00 Diamond 0.9481654E+00 Metallicity 0.4326494E+01 Ellipticity 0.1123764E-01 Gb(Abramov) 0.1880950E+00 Vb(Abramov) -0.2406504E+00 Hb(Abramov) -0.5255538E-01 Ex_ueg -0.4942779E-01 Ec_ueg -0.7275009E-02 Delta_ex -0.5650586E-01 Delta_ec 0.1440336E-01 Delta_et -0.1883874E+00 Pxc 0.6794190E+01 Qxc -0.3923103E+01 3,-1 120 3 -1 -1.669337 2.840451 0.875579 Rho 0.1464164E+00 |GRAD(Rho)| 0.8339717E-15 GRAD(Rho)x -0.3528400E-16 GRAD(Rho)y -0.1127164E-15 GRAD(Rho)z 0.8255657E-15 Laplacian 0.6093197E+00 (-1/4)Del**2(Rho)) -0.1523299E+00 Diamond 0.1198921E+01 Metallicity 0.4599927E+01 Ellipticity 0.1787942E-01 Gb(Abramov) 0.2183377E+00 Vb(Abramov) -0.2843455E+00 Hb(Abramov) -0.6600779E-01 Ex_ueg -0.5699518E-01 Ec_ueg -0.8214510E-02 Delta_ex -0.6504269E-01 Delta_ec 0.1554313E-01 Delta_et -0.2061834E+00 Pxc 0.6938354E+01 Qxc -0.4184658E+01 3,-1 121 3 -1 -0.859862 1.677394 1.548860 Rho 0.3521202E-01 |GRAD(Rho)| 0.1033452E-14 GRAD(Rho)x -0.3933132E-15 GRAD(Rho)y 0.9073777E-15 GRAD(Rho)z 0.2999886E-15 Laplacian 0.1288499E+00 (-1/4)Del**2(Rho)) -0.3221247E-01 Diamond 0.3899823E-01 Metallicity 0.2023084E+01 Ellipticity 0.2959983E-01 Gb(Abramov) 0.3233641E-01 Vb(Abramov) -0.3246034E-01 Hb(Abramov) -0.1239347E-03 Ex_ueg -0.8523926E-02 Ec_ueg -0.1615452E-02 Delta_ex -0.9614025E-02 Delta_ec 0.3657680E-02 Delta_et -0.3510670E-01 Pxc 0.5276496E+01 Qxc -0.2628449E+01 3,-1 122 3 +1 -0.001050 2.019735 -2.848084 Rho 0.1217121E-01 |GRAD(Rho)| 0.9043630E-17 GRAD(Rho)x -0.9332583E-18 GRAD(Rho)y -0.5983606E-17 GRAD(Rho)z -0.6716601E-17 Laplacian 0.5650061E-01 (-1/4)Del**2(Rho)) -0.1412515E-01 Diamond 0.1989759E-02 Metallicity 0.7854462E+00 Ellipticity -0.1205747E+01 Gb(Abramov) 0.1126586E-01 Vb(Abramov) -0.8406566E-02 Hb(Abramov) 0.2859293E-02 Ex_ueg -0.2067744E-02 Ec_ueg -0.4674785E-03 Delta_ex -0.2697298E-02 Delta_ec 0.5720484E-03 Delta_et -0.4427322E-02 Pxc 0.4423186E+01 Qxc -0.4715157E+01 3,+1 123 3 -1 0.614610 -0.651012 -3.188190 Rho 0.1424597E+00 |GRAD(Rho)| 0.2659867E-15 GRAD(Rho)x -0.1899387E-15 GRAD(Rho)y 0.1767656E-15 GRAD(Rho)z -0.5853336E-16 Laplacian 0.5896366E+00 (-1/4)Del**2(Rho)) -0.1474092E+00 Diamond 0.1132692E+01 Metallicity 0.4541319E+01 Ellipticity 0.5846943E-02 Gb(Abramov) 0.2098448E+00 Vb(Abramov) -0.2722804E+00 Hb(Abramov) -0.6243561E-01 Ex_ueg -0.5495084E-01 Ec_ueg -0.7962586E-02 Delta_ex -0.6262854E-01 Delta_ec 0.1533427E-01 Delta_et -0.2030143E+00 Pxc 0.6901130E+01 Qxc -0.4084220E+01 3,-1 124 3 -1 0.397184 -0.519489 -0.003207 Rho 0.1795757E+00 |GRAD(Rho)| 0.1293737E-15 GRAD(Rho)x -0.1111082E-15 GRAD(Rho)y -0.6609237E-16 GRAD(Rho)z 0.4933688E-17 Laplacian 0.4907231E+00 (-1/4)Del**2(Rho)) -0.1226808E+00 Diamond 0.1377534E+01 Metallicity 0.8026435E+01 Ellipticity 0.7887050E-03 Gb(Abramov) 0.2459021E+00 Vb(Abramov) -0.3691234E+00 Hb(Abramov) -0.1232213E+00 Ex_ueg -0.7482532E-01 Ec_ueg -0.1036297E-01 Delta_ex -0.5623329E-01 Delta_ec 0.1389425E-01 Delta_et -0.1950510E+00 Pxc 0.7220454E+01 Qxc -0.4047235E+01 3,-1 125 3 -1 -0.117461 0.214816 -0.513347 Rho 0.1812177E+00 |GRAD(Rho)| 0.1962279E-15 GRAD(Rho)x -0.1615957E-18 GRAD(Rho)y 0.2214967E-16 GRAD(Rho)z -0.1949737E-15 Laplacian 0.5062099E+00 (-1/4)Del**2(Rho)) -0.1265525E+00 Diamond 0.1437039E+01 Metallicity 0.7899813E+01 Ellipticity 0.6216424E-02 Gb(Abramov) 0.2509918E+00 Vb(Abramov) -0.3754311E+00 Hb(Abramov) -0.1244393E+00 Ex_ueg -0.7573893E-01 Ec_ueg -0.1047103E-01 Delta_ex -0.5814018E-01 Delta_ec 0.1430656E-01 Delta_et -0.2011230E+00 Pxc 0.7233191E+01 Qxc -0.4063882E+01 3,-1 126 3 +1 0.684002 1.630854 -0.012692 Rho 0.7243515E-02 |GRAD(Rho)| 0.4549783E-17 GRAD(Rho)x -0.7420108E-18 GRAD(Rho)y -0.1238455E-18 GRAD(Rho)z 0.4487160E-17 Laplacian 0.2988720E-01 (-1/4)Del**2(Rho)) -0.7471801E-02 Diamond 0.6610576E-03 Metallicity 0.6252352E+00 Ellipticity -0.1367461E+01 Gb(Abramov) 0.5759806E-02 Vb(Abramov) -0.4047811E-02 Hb(Abramov) 0.1711995E-02 Ex_ueg -0.1035104E-02 Ec_ueg -0.2447023E-03 Delta_ex -0.1323556E-02 Delta_ec 0.4487756E-03 Delta_et -0.2910201E-02 Pxc 0.4230057E+01 Qxc -0.2949259E+01 3,+1 127 3 +1 0.611541 1.106758 2.348886 Rho 0.2427470E-01 |GRAD(Rho)| 0.1047778E-15 GRAD(Rho)x 0.5439023E-16 GRAD(Rho)y 0.2657792E-16 GRAD(Rho)z 0.8552015E-16 Laplacian 0.9725657E-01 (-1/4)Del**2(Rho)) -0.2431414E-01 Diamond 0.1346261E-01 Metallicity 0.1441951E+01 Ellipticity -0.6462041E+01 Gb(Abramov) 0.2205273E-01 Vb(Abramov) -0.1979132E-01 Hb(Abramov) 0.2261413E-02 Ex_ueg -0.5191069E-02 Ec_ueg -0.1052266E-02 Delta_ex -0.6142431E-02 Delta_ec 0.1901993E-02 Delta_et -0.1660500E-01 Pxc 0.4933229E+01 Qxc -0.3229470E+01 3,+1 128 3 -1 0.794545 1.633017 -1.549003 Rho 0.3398847E-01 |GRAD(Rho)| 0.3855364E-14 GRAD(Rho)x 0.1910287E-14 GRAD(Rho)y 0.2728194E-14 GRAD(Rho)z -0.1942057E-14 Laplacian 0.1266095E+00 (-1/4)Del**2(Rho)) -0.3165238E-01 Diamond 0.3652398E-01 Metallicity 0.1941032E+01 Ellipticity 0.4029874E-01 Gb(Abramov) 0.3134130E-01 Vb(Abramov) -0.3103022E-01 Hb(Abramov) 0.3110771E-03 Ex_ueg -0.8131310E-02 Ec_ueg -0.1551113E-02 Delta_ex -0.9364796E-02 Delta_ec 0.3595395E-02 Delta_et -0.3417950E-01 Pxc 0.5242242E+01 Qxc -0.2604664E+01 3,-1 129 3 -1 3.574856 -0.803333 0.700937 Rho 0.1769058E+00 |GRAD(Rho)| 0.7602873E-15 GRAD(Rho)x 0.7463377E-16 GRAD(Rho)y 0.1866996E-15 GRAD(Rho)z -0.7332188E-15 Laplacian 0.6853403E+00 (-1/4)Del**2(Rho)) -0.1713351E+00 Diamond 0.1692319E+01 Metallicity 0.5605448E+01 Ellipticity 0.3630037E-01 Gb(Abramov) 0.2742917E+00 Vb(Abramov) -0.3772483E+00 Hb(Abramov) -0.1029566E+00 Ex_ueg -0.7334567E-01 Ec_ueg -0.1018758E-01 Delta_ex -0.7667209E-01 Delta_ec 0.1666041E-01 Delta_et -0.2263392E+00 Pxc 0.7199516E+01 Qxc -0.4602052E+01 3,-1 130 3 -1 3.588646 -0.819659 -0.747017 Rho 0.1825047E+00 |GRAD(Rho)| 0.2351871E-13 GRAD(Rho)x 0.2676492E-14 GRAD(Rho)y 0.1646177E-13 GRAD(Rho)z 0.1658241E-13 Laplacian 0.7086552E+00 (-1/4)Del**2(Rho)) -0.1771638E+00 Diamond 0.1815321E+01 Metallicity 0.5709985E+01 Ellipticity 0.4234768E-01 Gb(Abramov) 0.2867097E+00 Vb(Abramov) -0.3962555E+00 Hb(Abramov) -0.1095459E+00 Ex_ueg -0.7645699E-01 Ec_ueg -0.1055584E-01 Delta_ex -0.7989461E-01 Delta_ec 0.1706876E-01 Delta_et -0.2325945E+00 Pxc 0.7243101E+01 Qxc -0.4680752E+01 3,-1 131 3 -1 2.405432 -0.586215 -0.018239 Rho 0.2913011E-01 |GRAD(Rho)| 0.4619176E-16 GRAD(Rho)x -0.4027430E-16 GRAD(Rho)y -0.2254029E-16 GRAD(Rho)z -0.1896082E-17 Laplacian 0.1058018E+00 (-1/4)Del**2(Rho)) -0.2645046E-01 Diamond 0.2400376E-01 Metallicity 0.1796209E+01 Ellipticity 0.6348565E-01 Gb(Abramov) 0.2555207E-01 Vb(Abramov) -0.2465367E-01 Hb(Abramov) 0.8983939E-03 Ex_ueg -0.6619745E-02 Ec_ueg -0.1298825E-02 Delta_ex -0.7469087E-02 Delta_ec 0.2890071E-02 Delta_et -0.2634521E-01 Pxc 0.5096718E+01 Qxc -0.2584396E+01 3,-1 132 3 -1 -0.046232 -0.089123 4.460373 Rho 0.2248325E+00 |GRAD(Rho)| 0.3727547E-14 GRAD(Rho)x 0.2516487E-14 GRAD(Rho)y 0.2696058E-14 GRAD(Rho)z -0.5414506E-15 Laplacian 0.8336470E+00 (-1/4)Del**2(Rho)) -0.2084117E+00 Diamond 0.2728490E+01 Metallicity 0.6871677E+01 Ellipticity 0.2020972E-01 Gb(Abramov) 0.3776309E+00 Vb(Abramov) -0.5468500E+00 Hb(Abramov) -0.1692191E+00 Ex_ueg -0.1009711E+00 Ec_ueg -0.1339693E-01 Delta_ex -0.9904163E-01 Delta_ec 0.1880014E-01 Delta_et -0.2598113E+00 Pxc 0.7536884E+01 Qxc -0.5268134E+01 3,-1 133 3 -1 0.786167 2.977340 -1.962358 Rho 0.1612476E+00 |GRAD(Rho)| 0.2930123E-13 GRAD(Rho)x 0.1343199E-13 GRAD(Rho)y -0.2053922E-13 GRAD(Rho)z -0.1600888E-13 Laplacian 0.6352682E+00 (-1/4)Del**2(Rho)) -0.1588171E+00 Diamond 0.1406248E+01 Metallicity 0.5181769E+01 Ellipticity 0.3649146E-01 Gb(Abramov) 0.2430369E+00 Vb(Abramov) -0.3272568E+00 Hb(Abramov) -0.8421986E-01 Ex_ueg -0.6482005E-01 Ec_ueg -0.9167366E-02 Delta_ex -0.6946998E-01 Delta_ec 0.1586186E-01 Delta_et -0.2132755E+00 Pxc 0.7070738E+01 Qxc -0.4379687E+01 3,-1 134 3 -1 2.275305 3.204856 -2.197934 Rho 0.2290017E+00 |GRAD(Rho)| 0.5396845E-15 GRAD(Rho)x 0.7665309E-16 GRAD(Rho)y 0.5341864E-15 GRAD(Rho)z -0.5339696E-17 Laplacian 0.8319975E+00 (-1/4)Del**2(Rho)) -0.2079994E+00 Diamond 0.2790616E+01 Metallicity 0.7099409E+01 Ellipticity 0.1407436E-02 Gb(Abramov) 0.3847783E+00 Vb(Abramov) -0.5615573E+00 Hb(Abramov) -0.1767790E+00 Ex_ueg -0.1034753E+00 Ec_ueg -0.1368214E-01 Delta_ex -0.9935570E-01 Delta_ec 0.1873108E-01 Delta_et -0.2593719E+00 Pxc 0.7562797E+01 Qxc -0.5304322E+01 3,-1 135 3 -1 2.343408 3.174285 2.234113 Rho 0.2299165E+00 |GRAD(Rho)| 0.3181917E-15 GRAD(Rho)x 0.3328501E-16 GRAD(Rho)y 0.2803205E-15 GRAD(Rho)z 0.1468281E-15 Laplacian 0.8338443E+00 (-1/4)Del**2(Rho)) -0.2084611E+00 Diamond 0.2810301E+01 Metallicity 0.7130913E+01 Ellipticity 0.4877774E-02 Gb(Abramov) 0.3867270E+00 Vb(Abramov) -0.5649930E+00 Hb(Abramov) -0.1782659E+00 Ex_ueg -0.1040268E+00 Ec_ueg -0.1374486E-01 Delta_ex -0.9967960E-01 Delta_ec 0.1875142E-01 Delta_et -0.2597050E+00 Pxc 0.7568417E+01 Qxc -0.5315843E+01 3,-1 136 3 -1 -2.338568 3.201024 -2.230127 Rho 0.2282062E+00 |GRAD(Rho)| 0.1198864E-14 GRAD(Rho)x 0.7508642E-15 GRAD(Rho)y -0.7826313E-15 GRAD(Rho)z 0.5108490E-15 Laplacian 0.8357434E+00 (-1/4)Del**2(Rho)) -0.2089358E+00 Diamond 0.2789627E+01 Metallicity 0.7026720E+01 Ellipticity 0.1285832E-01 Gb(Abramov) 0.3839795E+00 Vb(Abramov) -0.5590232E+00 Hb(Abramov) -0.1750437E+00 Ex_ueg -0.1029963E+00 Ec_ueg -0.1362765E-01 Delta_ex -0.9970246E-01 Delta_ec 0.1881563E-01 Delta_et -0.2604211E+00 Pxc 0.7557890E+01 Qxc -0.5298918E+01 3,-1 137 3 -1 4.600646 0.065822 -0.035002 Rho 0.2287524E+00 |GRAD(Rho)| 0.1064071E-14 GRAD(Rho)x -0.1039425E-14 GRAD(Rho)y -0.2270048E-15 GRAD(Rho)z -0.1766254E-16 Laplacian 0.8262919E+00 (-1/4)Del**2(Rho)) -0.2065730E+00 Diamond 0.2771064E+01 Metallicity 0.7135466E+01 Ellipticity 0.2628142E-02 Gb(Abramov) 0.3833810E+00 Vb(Abramov) -0.5601891E+00 Hb(Abramov) -0.1768081E+00 Ex_ueg -0.1033251E+00 Ec_ueg -0.1366506E-01 Delta_ex -0.9866470E-01 Delta_ec 0.1864107E-01 Delta_et -0.2582463E+00 Pxc 0.7561261E+01 Qxc -0.5292868E+01 3,-1 138 3 -1 -0.105496 0.217226 0.512791 Rho 0.1805737E+00 |GRAD(Rho)| 0.1405043E-12 GRAD(Rho)x 0.4425741E-13 GRAD(Rho)y 0.6715225E-13 GRAD(Rho)z 0.1152098E-12 Laplacian 0.4993765E+00 (-1/4)Del**2(Rho)) -0.1248441E+00 Diamond 0.1410802E+01 Metallicity 0.7960539E+01 Ellipticity 0.8679956E-02 Gb(Abramov) 0.2488672E+00 Vb(Abramov) -0.3728902E+00 Hb(Abramov) -0.1240230E+00 Ex_ueg -0.7538026E-01 Ec_ueg -0.1042862E-01 Delta_ex -0.5729936E-01 Delta_ec 0.1411478E-01 Delta_et -0.1982951E+00 Pxc 0.7228208E+01 Qxc -0.4059528E+01 3,-1 139 3 -1 -2.243071 3.303165 2.238910 Rho 0.2332125E+00 |GRAD(Rho)| 0.4582860E-15 GRAD(Rho)x -0.2822178E-15 GRAD(Rho)y 0.2916504E-15 GRAD(Rho)z 0.2128831E-15 Laplacian 0.8482177E+00 (-1/4)Del**2(Rho)) -0.2120544E+00 Diamond 0.2905880E+01 Metallicity 0.7178364E+01 Ellipticity 0.3174526E-02 Gb(Abramov) 0.3950703E+00 Vb(Abramov) -0.5780861E+00 Hb(Abramov) -0.1830158E+00 Ex_ueg -0.1060199E+00 Ec_ueg -0.1397117E-01 Delta_ex -0.1017612E+00 Delta_ec 0.1897369E-01 Delta_et -0.2628607E+00 Pxc 0.7588476E+01 Qxc -0.5363278E+01 3,-1 140 3 -1 2.448000 1.804226 1.580900 Rho 0.1656654E+00 |GRAD(Rho)| 0.9459866E-14 GRAD(Rho)x -0.7931047E-14 GRAD(Rho)y 0.4353424E-14 GRAD(Rho)z 0.2763198E-14 Laplacian 0.6897343E+00 (-1/4)Del**2(Rho)) -0.1724336E+00 Diamond 0.1571456E+01 Metallicity 0.4992496E+01 Ellipticity 0.2783955E-01 Gb(Abramov) 0.2584347E+00 Vb(Abramov) -0.3444359E+00 Hb(Abramov) -0.8600115E-01 Ex_ueg -0.6719870E-01 Ec_ueg -0.9453755E-02 Delta_ex -0.7588441E-01 Delta_ec 0.1701429E-01 Delta_et -0.2293041E+00 Pxc 0.7108149E+01 Qxc -0.4460038E+01 3,-1 141 3 -1 2.358553 1.824008 -1.529736 Rho 0.1390835E+00 |GRAD(Rho)| 0.5521374E-13 GRAD(Rho)x 0.2758847E-13 GRAD(Rho)y 0.2893031E-14 GRAD(Rho)z 0.4773954E-13 Laplacian 0.5852507E+00 (-1/4)Del**2(Rho)) -0.1463127E+00 Diamond 0.1087558E+01 Metallicity 0.4396061E+01 Ellipticity 0.1280328E-01 Gb(Abramov) 0.2047417E+00 Vb(Abramov) -0.2631707E+00 Hb(Abramov) -0.5842901E-01 Ex_ueg -0.5322133E-01 Ec_ueg -0.7748403E-02 Delta_ex -0.6174862E-01 Delta_ec 0.1521505E-01 Delta_et -0.2005088E+00 Pxc 0.6868683E+01 Qxc -0.4058391E+01 3,-1 142 3 -1 -3.055167 1.193108 0.564755 Rho 0.3077749E+00 |GRAD(Rho)| 0.8222426E-14 GRAD(Rho)x 0.4424666E-14 GRAD(Rho)y -0.6146395E-14 GRAD(Rho)z 0.3201944E-14 Laplacian -0.1519373E+01 (-1/4)Del**2(Rho)) 0.3798433E+00 Diamond 0.5196316E+01 Metallicity -0.6363130E+01 Ellipticity 0.4956011E-02 Gb(Abramov) 0.1496032E+00 Vb(Abramov) -0.6790496E+00 Hb(Abramov) -0.5294464E+00 Ex_ueg -0.1534721E+00 Ec_ueg -0.1925017E-01 Delta_ex 0.1485107E+00 Delta_ec 0.5389452E-01 Delta_et -0.1255878E+01 Pxc 0.7972506E+01 Qxc 0.2755581E+01 3,-1 143 3 -1 -0.655980 -0.527802 0.006297 Rho 0.2316284E+00 |GRAD(Rho)| 0.1005581E-14 GRAD(Rho)x 0.6240830E-16 GRAD(Rho)y 0.9525478E-15 GRAD(Rho)z -0.3161498E-15 Laplacian 0.1096687E+01 (-1/4)Del**2(Rho)) -0.2741716E+00 Diamond 0.3841300E+01 Metallicity 0.5489300E+01 Ellipticity 0.5188394E-02 Gb(Abramov) 0.4336161E+00 Vb(Abramov) -0.5930606E+00 Hb(Abramov) -0.1594445E+00 Ex_ueg -0.1050608E+00 Ec_ueg -0.1386233E-01 Delta_ex -0.1319784E+00 Delta_ec 0.2572522E-01 Delta_et -0.3610999E+00 Pxc 0.7578873E+01 Qxc -0.5130310E+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 63 117 118 69 94 88 90 86 107 49 119 101 66 136 80 140 83 81 85 135 116 115 68 93 87 134 128 141 82 76 133 139 121 51 120 52 67 104 64 112 103 58 132 131 96 97 130 129 137 113 123 60 61 59 106 124 54 56 55 143 125 138 142 47 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 14 15 16 19 23 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 17 19 23 36 36 36 45 45 2.424605 1.947857 1.763885 2.148210 1.958415 1.767672 1.767895 2.507631 1.795534 1.966052 1.930817 2.059351 1.762629 2.558596 1.875152 1.926999 1.870502 2.004426 1.759900 2.425699 1.940476 1.762063 2.171560 1.953967 1.761405 2.541333 1.942978 1.967545 1.864817 1.895438 1.754316 2.531673 1.953804 1.923395 1.914185 1.912126 2.391206 1.761271 1.925675 2.005235 2.139362 1.768418 2.614348 1.947697 2.027585 1.847874 1.860640 1.761908 2.406339 1.932590 1.763001 1.768238 2.144414 1.984108 1.614882 3.197996 3.183127 3.198114 1.491549 1.610292 1.612112 1.007546 1.693399 2.425827 1.948252 1.763929 2.148693 1.958922 1.767690 1.767915 2.508717 1.795665 1.966391 1.931367 2.059832 1.762650 2.559679 1.875562 1.927409 1.870941 2.004901 1.759907 2.426884 1.940872 1.762094 2.172036 1.954482 1.761418 2.542457 1.943388 1.967966 1.865201 1.895850 1.754321 2.532779 1.954734 1.923988 1.914770 1.912608 2.392481 1.761321 1.926083 2.005802 2.139804 1.768435 2.615236 1.948177 2.027936 1.848198 1.861044 1.761919 2.407506 1.932945 1.763046 1.768256 2.144885 1.984654 1.614896 3.239549 3.220041 3.220207 1.491548 1.610319 1.612133 1.007614 1.697165 27 26 24 25 23 23 22 29 23 26 24 24 21 29 23 23 22 24 21 27 24 22 25 23 21 29 23 23 24 23 21 29 27 25 27 23 27 22 25 24 25 25 29 24 25 24 23 21 27 23 22 22 25 24 21 35 35 35 20 21 21 18 22 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 W O W W W W W O O W W W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H 2.3301 -0.8771 2.3461 2.4203 2.3287 2.4134 2.4067 -0.8701 -0.8465 2.3476 2.3871 2.3386 -1.0561 -0.8830 -1.0529 -1.0513 -0.8224 -0.9926 -0.8280 -0.9852 -0.8283 -0.9740 -0.8828 -0.9930 -0.9819 -0.8291 -0.9780 -0.8286 -0.9739 -0.8765 -0.9841 -0.9987 -0.9828 -1.0114 -0.9893 2.1406 -0.8750 -0.9909 -1.0145 -0.9975 -0.8761 -0.8719 -0.8665 -0.8654 0.2767 2.1361 1.9509 2.1263 2.0992 2.1368 2.1021 2.1119 1.9520 1.9552 2.1330 2.1096 2.1342 1.8995 1.9046 1.8985 1.8985 1.9544 1.9282 1.8730 1.9274 1.9539 1.9305 1.9507 1.9282 1.9281 1.9534 1.9286 1.9536 1.9395 1.9509 1.9388 1.9367 1.9383 1.9351 1.9388 2.5723 1.9509 1.9354 1.9352 1.9356 1.9510 1.9524 1.9525 1.9532 0.5619 6.1186 4.8954 6.1218 6.0987 6.1180 6.0997 6.1129 4.8863 4.8586 6.1129 6.1046 6.1163 5.1207 4.9394 5.1183 5.1170 4.8358 5.0352 4.9251 5.0293 4.8426 5.0137 4.9005 5.0355 5.0240 4.8441 5.0207 4.8431 5.0046 4.8949 5.0163 5.0313 5.0155 5.0454 5.0217 7.4820 4.8933 5.0246 5.0478 5.0326 4.8942 4.8878 4.8824 4.8802 0.1614 3.3862 0.0308 3.3766 3.3519 3.3877 3.3548 3.3391 0.0317 0.0327 3.3776 3.3692 3.3819 0.0359 0.0391 0.0362 0.0358 0.0321 0.0292 0.0299 0.0285 0.0318 0.0298 0.0316 0.0293 0.0298 0.0317 0.0287 0.0319 0.0298 0.0307 0.0290 0.0307 0.0291 0.0310 0.0288 0.8051 0.0307 0.0309 0.0316 0.0293 0.0308 0.0318 0.0315 0.0320 0.0000 14.0290 0.0000 14.0292 14.0299 14.0289 14.0299 14.0295 0.0000 0.0000 14.0290 14.0296 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 W W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H 2.477486 -0.933182 2.479927 2.495935 2.475947 2.498431 2.503093 -0.924030 -0.898400 2.480730 2.487145 2.479631 -1.033007 -0.947663 -1.032992 -1.033747 -0.886579 -0.994038 -0.676677 -0.999306 -0.893880 -0.988094 -0.854917 -0.994096 -0.984241 -0.896261 -0.996596 -0.894816 -0.992450 -0.933256 -0.998638 -0.984482 -0.998911 -0.998630 -1.000060 1.984138 -0.931669 -0.991820 -1.000213 -1.004186 -0.932418 -0.925474 -0.922268 -0.917214 0.031746 1.940549 -0.859953 1.925735 1.922324 1.941185 1.921011 1.946905 -0.850306 -0.807360 1.945632 1.921634 1.942448 -0.718543 -0.845410 -0.717956 -0.718414 -0.791766 -0.719850 -0.840807 -0.738301 -0.804373 -0.758749 -0.780059 -0.723769 -0.737419 -0.805751 -0.743277 -0.804061 -0.844870 -0.859568 -0.849239 -0.793913 -0.845108 -0.815916 -0.846843 1.639937 -0.857922 -0.817503 -0.813595 -0.841870 -0.858979 -0.848234 -0.842170 -0.840146 0.294640 2.035278 -0.838686 2.039050 2.034327 2.034584 2.033970 2.061351 -0.817813 -0.791691 2.029618 2.021948 2.030519 -0.801244 -0.800171 -0.798647 -0.809960 -0.789385 -0.809545 -0.857396 -0.833900 -0.801489 -0.836168 -0.828229 -0.812800 -0.835743 -0.806565 -0.834558 -0.803807 -0.859919 -0.838279 -0.872571 -0.845103 -0.863249 -0.873973 -0.877170 1.592130 -0.837084 -0.854700 -0.883110 -0.865879 -0.836832 -0.816567 -0.819901 -0.805966 0.345327 -21.32176741 -9.20036875 0.98915989 23.24312775 40.58326752 57.12454765 -0.92239518 0.30688582 2.15988482 -40.89015333 -321.6662 350.9526 12.7254 -364.4136 -80.0714 -402.4732 Mar12-2024 12:23:49 Nodes: 1 Procs: 1 Mar12-2024 12:23:49 Nodes: 1 Procs: 1 0 Mar12-2024 12:23:50 Nodes: 1 Procs: 1 Mar12-2024 12:23:50 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar12-2024 12:23:51 Nodes: 1 Procs: 1 Mar12-2024 12:23:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar12-2024 12:23:52 Nodes: 1 Procs: 1 Mar12-2024 12:23:53 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar12-2024 12:23:55 Nodes: 1 Procs: 24 *** (NO TITLE) *** -8 -14.71329872 -14.76905700 -14.78411373 -14.78587512 -14.78719166 -14.78818019 -14.78884105 -14.78949364 -14.78988390 -14.79023681 -14.79027692 -14.79040738 -14.79048083 -14.79055198 -14.79057200 -14.79059008 -14.79059836 -14.79061446 -14.79061676 GEOMETRY CONVERGED