Ag10pyr.log 0 0 21 timestep 1 21 0 0 0.000100 Ag 0.0000000 0.0000000 0.0000000 Ag 0.0000000 0.0000000 6.8125840 Ag 2.0034020 0.0000000 4.6240720 Ag -2.0046990 -0.0008260 4.6224400 Ag -0.0005850 -2.0043660 4.6227970 Ag 1.4178490 -1.4165130 2.1886300 Ag -1.4165510 -1.4164530 2.1871220 Ag -1.4173920 1.4182570 2.1883110 Ag 1.4171570 1.4177550 2.1898000 Ag -0.0014260 2.0043100 4.6240860 N 0.0000710 -0.0003120 -2.0400000 C -1.1498670 -0.0051000 -2.7418410 C 1.1502260 0.0042630 -2.7418630 C -1.2010790 -0.0055230 -4.1477860 H -2.0774650 -0.0087840 -2.1421290 C 1.2018850 0.0041200 -4.1478780 H 2.0777370 0.0080520 -2.1418800 C 0.0004370 -0.0009140 -4.8586860 H -2.1675370 -0.0096350 -4.6676810 H 2.1685290 0.0079200 -4.6674460 H 0.0001940 -0.0001240 -5.9579500 timestep 21 21 0 0 0.000100 Ag -0.0000140 -0.0000500 0.0704940 Ag 0.0000350 0.0001300 6.9083150 Ag 2.0021500 0.0000050 4.7120270 Ag -2.0034960 -0.0007790 4.7103370 Ag -0.0006030 -2.0035070 4.7105650 Ag 1.4142150 -1.4129780 2.2706020 Ag -1.4129580 -1.4128760 2.2690680 Ag -1.4137880 1.4145720 2.2702160 Ag 1.4135170 1.4141030 2.2717040 Ag -0.0014120 2.0034260 4.7117930 N 0.0001960 -0.0002820 -2.1195710 C -1.1680030 -0.0051560 -2.8198900 C 1.1685070 0.0043220 -2.8197960 C -1.2119030 -0.0055450 -4.2226470 H -2.0858680 -0.0088280 -2.2336040 C 1.2125780 0.0042550 -4.2225620 H 2.0862980 0.0080710 -2.2333820 C 0.0003660 -0.0007380 -4.9376850 H -2.1710460 -0.0096400 -4.7329070 H 2.1718320 0.0080050 -4.7326030 H 0.0002820 -0.0003850 -6.0257740 timestep 41 21 0 0 0.000100 Ag -0.0004660 -0.0002590 0.1688740 Ag 0.0005150 0.0005550 7.0753820 Ag 1.9991840 0.0000600 4.8549400 Ag -2.0004770 -0.0007710 4.8534390 Ag -0.0004630 -2.0018250 4.8527910 Ag 1.4041860 -1.4032240 2.3967220 Ag -1.4032020 -1.4031390 2.3953470 Ag -1.4041630 1.4041950 2.3963950 Ag 1.4033030 1.4039900 2.3976090 Ag -0.0013320 2.0015560 4.8538450 N 0.0001850 0.0000400 -2.2475090 C -1.1721180 -0.0048790 -2.9412590 C 1.1726250 0.0043320 -2.9409790 C -1.2116340 -0.0053500 -4.3458060 H -2.0760540 -0.0084720 -2.3504620 C 1.2123660 0.0045490 -4.3454910 H 2.0764660 0.0080460 -2.3500910 C 0.0004560 -0.0001370 -5.0649170 H -2.1674480 -0.0093670 -4.8534400 H 2.1682450 0.0081480 -4.8530180 H 0.0007120 -0.0019210 -6.1476700 timestep 61 21 0 0 0.000100 Ag -0.0007450 -0.0005340 0.1932210 Ag 0.0007730 0.0008540 7.1175770 Ag 1.9978450 0.0002590 4.8898110 Ag -1.9990840 -0.0009070 4.8884210 Ag -0.0002320 -2.0011240 4.8874240 Ag 1.4012730 -1.4002450 2.4287570 Ag -1.4001790 -1.4004120 2.4274650 Ag -1.4014230 1.4008260 2.4283830 Ag 1.4000770 1.4009440 2.4294560 Ag -0.0014260 2.0008140 4.8882830 N 0.0001240 -0.0000200 -2.2777600 C -1.1691960 -0.0046450 -2.9712790 C 1.1696470 0.0044830 -2.9709210 C -1.2117580 -0.0051990 -4.3763290 H -2.0790670 -0.0079670 -2.3775660 C 1.2126150 0.0041720 -4.3759540 H 2.0793670 0.0082560 -2.3769760 C 0.0005360 -0.0009750 -5.0924550 H -2.1695330 -0.0087850 -4.8882810 H 2.1705080 0.0080100 -4.8876890 H 0.0007640 -0.0016770 -6.1788860 timestep 81 21 0 0 0.000100 Ag -0.0008890 -0.0006060 0.1979120 Ag 0.0008860 0.0009910 7.1229840 Ag 1.9972090 0.0000460 4.8943000 Ag -1.9984280 -0.0006160 4.8929390 Ag -0.0004610 -2.0008440 4.8918100 Ag 1.4006820 -1.4000120 2.4345000 Ag -1.3999640 -1.3998440 2.4332310 Ag -1.4008700 1.4005570 2.4341280 Ag 1.3998050 1.4003440 2.4351510 Ag -0.0011390 2.0005730 4.8926470 N 0.0000900 0.0000270 -2.2819340 C -1.1682270 -0.0048630 -2.9755800 C 1.1686450 0.0045500 -2.9751840 C -1.2119060 -0.0054410 -4.3808770 H -2.0789300 -0.0084690 -2.3831670 C 1.2128110 0.0043660 -4.3804650 H 2.0791580 0.0083860 -2.3824820 C 0.0005710 -0.0006560 -5.0964080 H -2.1692040 -0.0094640 -4.8932010 H 2.1702730 0.0081140 -4.8924830 H 0.0007720 -0.0010130 -6.1831190 timestep 101 21 0 0 0.000100 Ag -0.0010410 -0.0007570 0.1997440 Ag 0.0010090 0.0011530 7.1232370 Ag 1.9967230 -0.0001980 4.8945870 Ag -1.9979210 -0.0003200 4.8932520 Ag -0.0007140 -2.0007620 4.8920330 Ag 1.4005240 -1.4002720 2.4363980 Ag -1.4001990 -1.3997460 2.4351460 Ag -1.4007410 1.4007170 2.4359930 Ag 1.3999950 1.4001410 2.4369730 Ag -0.0008400 2.0005180 4.8928050 N 0.0000550 -0.0000430 -2.2828390 C -1.1681030 -0.0051390 -2.9764160 C 1.1684850 0.0047350 -2.9759680 C -1.2119670 -0.0056030 -4.3817950 H -2.0792590 -0.0088850 -2.3846390 C 1.2129050 0.0046120 -4.3813300 H 2.0794190 0.0087260 -2.3838530 C 0.0006060 -0.0006810 -5.0972810 H -2.1691910 -0.0097730 -4.8940810 H 2.1703290 0.0085370 -4.8932430 H 0.0008110 -0.0008330 -6.1840200 timestep 121 21 0 0 0.000100 Ag -0.0012550 -0.0009500 0.2007010 Ag 0.0011960 0.0013620 7.1217130 Ag 1.9962620 -0.0005560 4.8934840 Ag -1.9974270 0.0000940 4.8921950 Ag -0.0010790 -2.0008570 4.8908490 Ag 1.4004950 -1.4008310 2.4369540 Ag -1.4007350 -1.3997890 2.4357280 Ag -1.4007560 1.4011630 2.4365220 Ag 1.4004690 1.4000660 2.4374450 Ag -0.0004220 2.0006480 4.8915510 N 0.0000030 -0.0001160 -2.2825360 C -1.1680950 -0.0054570 -2.9761360 C 1.1684220 0.0049740 -2.9756080 C -1.2119230 -0.0058870 -4.3815500 H -2.0793370 -0.0094950 -2.3845690 C 1.2129030 0.0049550 -4.3810010 H 2.0794000 0.0091510 -2.3836380 C 0.0006530 -0.0005160 -5.0970750 H -2.1691580 -0.0103130 -4.8937690 H 2.1703800 0.0091180 -4.8927720 H 0.0008900 -0.0006370 -6.1837860 timestep 141 21 0 0 0.000100 Ag -0.0014280 -0.0011120 0.2008110 Ag 0.0013640 0.0015270 7.1204400 Ag 1.9960480 -0.0007130 4.8925730 Ag -1.9971800 0.0002760 4.8913330 Ag -0.0012350 -2.0010770 4.8898860 Ag 1.4005890 -1.4012110 2.4366180 Ag -1.4010970 -1.3999430 2.4354140 Ag -1.4008940 1.4014490 2.4361700 Ag 1.4007780 1.4001260 2.4370500 Ag -0.0002340 2.0008900 4.8905280 N -0.0000420 -0.0001860 -2.2819970 C -1.1681930 -0.0056300 -2.9756400 C 1.1684710 0.0050870 -2.9750380 C -1.2118840 -0.0059680 -4.3810290 H -2.0793450 -0.0097770 -2.3839600 C 1.2128990 0.0051280 -4.3804050 H 2.0793240 0.0093450 -2.3829020 C 0.0006930 -0.0005170 -5.0965570 H -2.1691450 -0.0104250 -4.8932400 H 2.1704300 0.0094580 -4.8921120 H 0.0009680 -0.0006020 -6.1832410 timestep 161 21 0 0 0.000100 Ag -0.0014280 -0.0011120 0.2008110 Ag 0.0013640 0.0015270 7.1204400 Ag 1.9960480 -0.0007130 4.8925730 Ag -1.9971800 0.0002760 4.8913330 Ag -0.0012350 -2.0010770 4.8898860 Ag 1.4005890 -1.4012110 2.4366180 Ag -1.4010970 -1.3999430 2.4354140 Ag -1.4008940 1.4014490 2.4361700 Ag 1.4007780 1.4001260 2.4370500 Ag -0.0002340 2.0008900 4.8905280 N -0.0000420 -0.0001860 -2.2819970 C -1.1681930 -0.0056300 -2.9756400 C 1.1684710 0.0050870 -2.9750380 C -1.2118840 -0.0059680 -4.3810290 H -2.0793450 -0.0097770 -2.3839600 C 1.2128990 0.0051280 -4.3804050 H 2.0793240 0.0093450 -2.3829020 C 0.0006930 -0.0005170 -5.0965570 H -2.1691450 -0.0104250 -4.8932400 H 2.1704300 0.0094580 -4.8921120 H 0.0009680 -0.0006020 -6.1832410 timestep 181 21 0 0 0.000100 Ag -0.0014280 -0.0011120 0.2008110 Ag 0.0013640 0.0015270 7.1204400 Ag 1.9960480 -0.0007130 4.8925730 Ag -1.9971800 0.0002760 4.8913330 Ag -0.0012350 -2.0010770 4.8898860 Ag 1.4005890 -1.4012110 2.4366180 Ag -1.4010970 -1.3999430 2.4354140 Ag -1.4008940 1.4014490 2.4361700 Ag 1.4007780 1.4001260 2.4370500 Ag -0.0002340 2.0008900 4.8905280 N -0.0000420 -0.0001860 -2.2819970 C -1.1681930 -0.0056300 -2.9756400 C 1.1684710 0.0050870 -2.9750380 C -1.2118840 -0.0059680 -4.3810290 H -2.0793450 -0.0097770 -2.3839600 C 1.2128990 0.0051280 -4.3804050 H 2.0793240 0.0093450 -2.3829020 C 0.0006930 -0.0005170 -5.0965570 H -2.1691450 -0.0104250 -4.8932400 H 2.1704300 0.0094580 -4.8921120 H 0.0009680 -0.0006020 -6.1832410 timestep 201 21 0 0 0.000100 Ag -0.0014280 -0.0011120 0.2008110 Ag 0.0013640 0.0015270 7.1204400 Ag 1.9960480 -0.0007130 4.8925730 Ag -1.9971800 0.0002760 4.8913330 Ag -0.0012350 -2.0010770 4.8898860 Ag 1.4005890 -1.4012110 2.4366180 Ag -1.4010970 -1.3999430 2.4354140 Ag -1.4008940 1.4014490 2.4361700 Ag 1.4007780 1.4001260 2.4370500 Ag -0.0002340 2.0008900 4.8905280 N -0.0000420 -0.0001860 -2.2819970 C -1.1681930 -0.0056300 -2.9756400 C 1.1684710 0.0050870 -2.9750380 C -1.2118840 -0.0059680 -4.3810290 H -2.0793450 -0.0097770 -2.3839600 C 1.2128990 0.0051280 -4.3804050 H 2.0793240 0.0093450 -2.3829020 C 0.0006930 -0.0005170 -5.0965570 H -2.1691450 -0.0104250 -4.8932400 H 2.1704300 0.0094580 -4.8921120 H 0.0009680 -0.0006020 -6.1832410 timestep 221 21 0 0 0.000100 Ag -0.0649410 0.0010140 0.2006450 Ag 0.0809360 -0.0009290 7.1189210 Ag 1.9954600 -0.0004230 4.8989910 Ag -1.9996090 0.0005450 4.8836330 Ag -0.0074430 -1.9999860 4.8896820 Ag 1.3976950 -1.4009520 2.4438060 Ag -1.4043830 -1.3995920 2.4276570 Ag -1.4036570 1.4007740 2.4277630 Ag 1.3983710 1.4005820 2.4438200 Ag -0.0064380 2.0000720 4.8897900 N -0.0122950 0.0003310 -2.2815000 C -1.1747540 -0.0053760 -2.9846000 C 1.1618310 0.0053520 -2.9650340 C -1.2068590 -0.0062390 -4.3902970 H -2.0905450 -0.0092790 -2.4000810 C 1.2178400 0.0048650 -4.3699900 H 2.0679840 0.0098650 -2.3657760 C 0.0114800 -0.0010590 -5.0959580 H -2.1599120 -0.0108900 -4.9102840 H 2.1795100 0.0090080 -4.8738830 H 0.0206150 -0.0015560 -6.1826030 timestep 241 21 0 0 0.000100 Ag 0.0249090 -0.0019920 0.2008460 Ag -0.0316460 0.0025460 7.1201250 Ag 1.9965180 -0.0008370 4.8896060 Ag -1.9963840 0.0001700 4.8942540 Ag 0.0013560 -2.0012700 4.8896450 Ag 1.4018800 -1.4012020 2.4333220 Ag -1.3998230 -1.3999630 2.4383480 Ag -1.3998480 1.4016090 2.4393670 Ag 1.4018580 1.3998130 2.4339310 Ag 0.0023430 2.0009690 4.8905080 N 0.0050330 -0.0004000 -2.2819250 C -1.1654530 -0.0057340 -2.9716360 C 1.1711970 0.0049760 -2.9788920 C -1.2139440 -0.0058530 -4.3768710 H -2.0746670 -0.0099810 -2.3770010 C 1.2108280 0.0052360 -4.3844010 H 2.0839810 0.0091280 -2.3897160 C -0.0037770 -0.0002920 -5.0964730 H -2.1729290 -0.0102300 -4.8858490 H 2.1666250 0.0096420 -4.8993350 H -0.0071720 -0.0002070 -6.1831510 timestep 261 21 0 0 0.000100 Ag 0.0249090 -0.0019920 0.2008460 Ag -0.0316460 0.0025460 7.1201250 Ag 1.9965180 -0.0008370 4.8896060 Ag -1.9963840 0.0001700 4.8942540 Ag 0.0013560 -2.0012700 4.8896450 Ag 1.4018800 -1.4012020 2.4333220 Ag -1.3998230 -1.3999630 2.4383480 Ag -1.3998480 1.4016090 2.4393670 Ag 1.4018580 1.3998130 2.4339310 Ag 0.0023430 2.0009690 4.8905080 N 0.0050330 -0.0004000 -2.2819250 C -1.1654530 -0.0057340 -2.9716360 C 1.1711970 0.0049760 -2.9788920 C -1.2139440 -0.0058530 -4.3768710 H -2.0746670 -0.0099810 -2.3770010 C 1.2108280 0.0052360 -4.3844010 H 2.0839810 0.0091280 -2.3897160 C -0.0037770 -0.0002920 -5.0964730 H -2.1729290 -0.0102300 -4.8858490 H 2.1666250 0.0096420 -4.8993350 H -0.0071720 -0.0002070 -6.1831510 timestep 281 21 0 0 0.000100 Ag 0.0249090 -0.0019920 0.2008460 Ag -0.0316460 0.0025460 7.1201250 Ag 1.9965180 -0.0008370 4.8896060 Ag -1.9963840 0.0001700 4.8942540 Ag 0.0013560 -2.0012700 4.8896450 Ag 1.4018800 -1.4012020 2.4333220 Ag -1.3998230 -1.3999630 2.4383480 Ag -1.3998480 1.4016090 2.4393670 Ag 1.4018580 1.3998130 2.4339310 Ag 0.0023430 2.0009690 4.8905080 N 0.0050330 -0.0004000 -2.2819250 C -1.1654530 -0.0057340 -2.9716360 C 1.1711970 0.0049760 -2.9788920 C -1.2139440 -0.0058530 -4.3768710 H -2.0746670 -0.0099810 -2.3770010 C 1.2108280 0.0052360 -4.3844010 H 2.0839810 0.0091280 -2.3897160 C -0.0037770 -0.0002920 -5.0964730 H -2.1729290 -0.0102300 -4.8858490 H 2.1666250 0.0096420 -4.8993350 H -0.0071720 -0.0002070 -6.1831510 timestep 301 21 0 0 0.000100 Ag 0.0249090 -0.0019920 0.2008460 Ag -0.0316460 0.0025460 7.1201250 Ag 1.9965180 -0.0008370 4.8896060 Ag -1.9963840 0.0001700 4.8942540 Ag 0.0013560 -2.0012700 4.8896450 Ag 1.4018800 -1.4012020 2.4333220 Ag -1.3998230 -1.3999630 2.4383480 Ag -1.3998480 1.4016090 2.4393670 Ag 1.4018580 1.3998130 2.4339310 Ag 0.0023430 2.0009690 4.8905080 N 0.0050330 -0.0004000 -2.2819250 C -1.1654530 -0.0057340 -2.9716360 C 1.1711970 0.0049760 -2.9788920 C -1.2139440 -0.0058530 -4.3768710 H -2.0746670 -0.0099810 -2.3770010 C 1.2108280 0.0052360 -4.3844010 H 2.0839810 0.0091280 -2.3897160 C -0.0037770 -0.0002920 -5.0964730 H -2.1729290 -0.0102300 -4.8858490 H 2.1666250 0.0096420 -4.8993350 H -0.0071720 -0.0002070 -6.1831510 timestep 321 21 0 0 0.000100 Ag 0.0958690 -0.0051430 0.1992290 Ag -0.1173770 0.0059720 7.1187050 Ag 2.0035080 -0.0011410 4.8864740 Ag -2.0056770 -0.0000270 4.8909770 Ag 0.0048240 -1.9937120 4.8897300 Ag 1.4112400 -1.4014590 2.4289010 Ag -1.3916470 -1.4000540 2.4392520 Ag -1.3928270 1.4020230 2.4407000 Ag 1.4101580 1.3981750 2.4295680 Ag 0.0057010 1.9932800 4.8906220 N 0.0182160 -0.0010690 -2.2806340 C -1.1587370 -0.0060280 -2.9592830 C 1.1778020 0.0046670 -2.9885260 C -1.2205180 -0.0054070 -4.3640180 H -2.0624850 -0.0106170 -2.3564420 C 1.2040770 0.0056700 -4.3942990 H 2.0958990 0.0084600 -2.4076310 C -0.0171500 0.0005310 -5.0949370 H -2.1842370 -0.0095150 -4.8639770 H 2.1549970 0.0103360 -4.9181730 H -0.0307510 0.0011840 -6.1815340 timestep 341 21 0 0 0.000100 Ag -0.0046180 -0.0006860 0.2014640 Ag 0.0040360 0.0011280 7.1195850 Ag 1.9938610 -0.0007130 4.8905450 Ag -1.9927420 0.0002570 4.8952190 Ag -0.0000870 -2.0041300 4.8892130 Ag 1.3980880 -1.4009620 2.4347800 Ag -1.4033330 -1.3998080 2.4376100 Ag -1.4028920 1.4013220 2.4384380 Ag 1.3984950 1.4003460 2.4353660 Ag 0.0009300 2.0038820 4.8900590 N -0.0004510 -0.0001230 -2.2821190 C -1.1682160 -0.0056100 -2.9764150 C 1.1684210 0.0051020 -2.9745230 C -1.2111750 -0.0060350 -4.3818200 H -2.0796820 -0.0097140 -2.3852090 C 1.2136070 0.0050540 -4.3798830 H 2.0789720 0.0094010 -2.3819150 C 0.0017890 -0.0006320 -5.0966940 H -2.1681660 -0.0105210 -4.8945370 H 2.1714080 0.0093510 -4.8910840 H 0.0026390 -0.0007820 -6.1833780 timestep 361 21 0 0 0.000100 Ag -0.0159880 -0.0025630 0.1937290 Ag 0.0218030 0.0032800 7.1354710 Ag 1.9980770 -0.0009590 4.8936700 Ag -1.9787030 0.0006360 4.9095350 Ag 0.0088370 -2.0145820 4.8994580 Ag 1.4016530 -1.4038930 2.4287740 Ag -1.4053360 -1.4019250 2.4397890 Ag -1.4051110 1.4026400 2.4399260 Ag 1.4021460 1.4019430 2.4286320 Ag 0.0099610 2.0143800 4.8995170 N -0.0229610 -0.0005340 -2.3163060 C -1.1925700 -0.0058110 -2.9989520 C 1.1598570 0.0052210 -2.9719170 C -1.2156940 -0.0060490 -4.4054170 H -2.0844880 -0.0100760 -2.3784250 C 1.2221880 0.0056900 -4.3731890 H 2.0327280 0.0087770 -2.3248110 C 0.0135390 0.0003250 -5.1039810 H -2.1690720 -0.0104260 -4.9305550 H 2.1903080 0.0100580 -4.8714360 H 0.0297120 -0.0000030 -6.1888100 timestep 381 21 0 0 0.000100 Ag -0.0129330 -0.0026130 0.2164860 Ag 0.0141590 0.0033070 7.1555920 Ag 1.9932230 -0.0009650 4.9173470 Ag -1.9824260 0.0006190 4.9272560 Ag 0.0045580 -2.0140820 4.9199430 Ag 1.4007650 -1.4035410 2.4530290 Ag -1.4054100 -1.4016600 2.4598320 Ag -1.4051510 1.4023540 2.4599920 Ag 1.4012660 1.4015520 2.4529090 Ag 0.0057280 2.0138680 4.9200050 N -0.0158500 -0.0005640 -2.2905270 C -1.1788610 -0.0057980 -3.0074080 C 1.1660360 0.0051960 -2.9858930 C -1.2026550 -0.0059390 -4.4143740 H -2.0957630 -0.0101850 -2.4265560 C 1.2097000 0.0056260 -4.3989610 H 2.0732940 0.0089820 -2.3889920 C 0.0061330 0.0002390 -5.1113250 H -2.1483900 -0.0102510 -4.9405420 H 2.1614490 0.0100020 -4.9128130 H 0.0120130 -0.0000220 -6.2002980 timestep 401 21 0 0 0.000100 Ag -0.0134770 -0.0026420 0.2017300 Ag 0.0181090 0.0033540 7.1390990 Ag 1.9953090 -0.0009450 4.8999230 Ag -1.9796420 0.0006240 4.9124870 Ag 0.0069960 -2.0137630 4.9037050 Ag 1.4013620 -1.4033130 2.4369150 Ag -1.4042970 -1.4014890 2.4455810 Ag -1.4040210 1.4021870 2.4457480 Ag 1.4018620 1.4013290 2.4368010 Ag 0.0081870 2.0135810 4.9037550 N -0.0179000 -0.0005860 -2.3034090 C -1.1772440 -0.0058160 -2.9988590 C 1.1495700 0.0050940 -2.9770300 C -1.2189550 -0.0059970 -4.4012290 H -2.0885770 -0.0101840 -2.4062410 C 1.2214460 0.0056730 -4.3712710 H 2.0481620 0.0088730 -2.3669990 C 0.0121170 0.0002450 -5.1124610 H -2.1764420 -0.0103640 -4.9193490 H 2.1915870 0.0101710 -4.8664170 H 0.0267330 0.0000950 -6.1977770 timestep 421 21 0 0 0.000100 Ag -0.0116550 -0.0026710 0.2153420 Ag 0.0117800 0.0033610 7.1511420 Ag 1.9912490 -0.0009580 4.9146330 Ag -1.9831160 0.0006060 4.9226170 Ag 0.0032320 -2.0135170 4.9159710 Ag 1.4002850 -1.4031340 2.4517550 Ag -1.4049470 -1.4013570 2.4571820 Ag -1.4046500 1.4020400 2.4573720 Ag 1.4007920 1.4011230 2.4516640 Ag 0.0044520 2.0133120 4.9160350 N -0.0130160 -0.0005920 -2.2882190 C -1.1788150 -0.0058470 -2.9992510 C 1.1693260 0.0051630 -2.9823570 C -1.2015480 -0.0058880 -4.4103240 H -2.0979560 -0.0102550 -2.4200430 C 1.2088540 0.0056130 -4.4006130 H 2.0812920 0.0090410 -2.3895840 C 0.0050400 0.0001830 -5.1109870 H -2.1495270 -0.0101990 -4.9338520 H 2.1612860 0.0100680 -4.9154810 H 0.0085270 0.0000340 -6.1983000 timestep 441 21 0 0 0.000100 Ag -0.0116430 -0.0026960 0.1996300 Ag 0.0154770 0.0034050 7.1340760 Ag 1.9934420 -0.0009400 4.8968210 Ag -1.9804120 0.0006110 4.9069680 Ag 0.0056810 -2.0132890 4.8991100 Ag 1.4012520 -1.4029630 2.4349500 Ag -1.4035980 -1.4012300 2.4418930 Ag -1.4032890 1.4019210 2.4420900 Ag 1.4017580 1.4009610 2.4348650 Ag 0.0069170 2.0131150 4.8991650 N -0.0142330 -0.0006070 -2.3024290 C -1.1747470 -0.0058470 -2.9959940 C 1.1515860 0.0050620 -2.9771160 C -1.2185720 -0.0059550 -4.3941530 H -2.0853060 -0.0102230 -2.4042790 C 1.2205010 0.0056610 -4.3677540 H 2.0511620 0.0089040 -2.3711950 C 0.0099910 0.0001950 -5.1062700 H -2.1769040 -0.0103150 -4.9096030 H 2.1893520 0.0102160 -4.8632380 H 0.0224690 0.0001410 -6.1928360 timestep 461 21 0 0 0.000100 Ag -0.0110090 -0.0027230 0.2134640 Ag 0.0110370 0.0034140 7.1468550 Ag 1.9904050 -0.0009500 4.9113000 Ag -1.9830820 0.0005970 4.9185970 Ag 0.0028280 -2.0131440 4.9120470 Ag 1.4000740 -1.4028540 2.4495260 Ag -1.4045070 -1.4011510 2.4544530 Ag -1.4041820 1.4018270 2.4546640 Ag 1.4005840 1.4008270 2.4494550 Ag 0.0040840 2.0129520 4.9121090 N -0.0116800 -0.0006170 -2.2874430 C -1.1772510 -0.0058750 -2.9941000 C 1.1676250 0.0051200 -2.9803700 C -1.2056160 -0.0058760 -4.4077330 H -2.0948030 -0.0102880 -2.4111330 C 1.2116440 0.0056210 -4.3984880 H 2.0789540 0.0090390 -2.3858380 C 0.0055390 0.0001610 -5.1133400 H -2.1565390 -0.0101940 -4.9286270 H 2.1672570 0.0101390 -4.9109510 H 0.0095240 0.0001020 -6.1997430 timestep 481 21 0 0 0.000100 Ag -0.0100450 -0.0027430 0.1999370 Ag 0.0127700 0.0034490 7.1322050 Ag 1.9916360 -0.0009380 4.8967130 Ag -1.9814610 0.0005980 4.9044850 Ag 0.0042530 -2.0129790 4.8975710 Ag 1.4011000 -1.4027240 2.4355530 Ag -1.4031880 -1.4010550 2.4408060 Ag -1.4028530 1.4017380 2.4410290 Ag 1.4016100 1.4007050 2.4354940 Ag 0.0055240 2.0128070 4.8976330 N -0.0109020 -0.0006210 -2.2998000 C -1.1727800 -0.0058680 -2.9948350 C 1.1553380 0.0050490 -2.9781930 C -1.2142380 -0.0059050 -4.3905780 H -2.0842960 -0.0102610 -2.4051540 C 1.2164940 0.0056380 -4.3691890 H 2.0578660 0.0089450 -2.3766320 C 0.0071520 0.0001590 -5.1001170 H -2.1712200 -0.0102510 -4.9060640 H 2.1815720 0.0102180 -4.8689780 H 0.0165540 0.0001670 -6.1871850 timestep 501 21 0 0 0.000100 Ag -0.0105010 -0.0027740 0.2122250 Ag 0.0103820 0.0034660 7.1436240 Ag 1.9896820 -0.0009440 4.9089080 Ag -1.9831260 0.0005890 4.9156150 Ag 0.0024420 -2.0128710 4.9091270 Ag 1.3998790 -1.4026400 2.4480000 Ag -1.4041950 -1.4009960 2.4524980 Ag -1.4038480 1.4016630 2.4527290 Ag 1.4003920 1.4005980 2.4479480 Ag 0.0037290 2.0126900 4.9091880 N -0.0105790 -0.0006390 -2.2864630 C -1.1767670 -0.0059020 -2.9900740 C 1.1674170 0.0050920 -2.9790200 C -1.2090300 -0.0058670 -4.4055740 H -2.0926430 -0.0103200 -2.4045090 C 1.2142130 0.0056300 -4.3970450 H 2.0777920 0.0090390 -2.3836050 C 0.0058510 0.0001480 -5.1150250 H -2.1617930 -0.0101890 -4.9245440 H 2.1715060 0.0101920 -4.9079500 H 0.0100820 0.0001610 -6.2013520