99 lines
9.6 KiB
Plaintext
99 lines
9.6 KiB
Plaintext
96
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 22.81529 -58.71050 21.15453 0.0001 0.0001 0.0001 -2.8157
|
|
Ag 23.32528 -59.93679 23.81647 0.0021 0.0021 0.0021 -2.8949
|
|
Ag 20.10989 -61.40825 19.87086 -0.0008 -0.0008 -0.0008 -2.7950
|
|
Ag 24.74964 -58.96395 18.95307 0.0027 0.0027 0.0027 -2.8708
|
|
Ag 26.62744 -57.92245 20.88054 -0.0010 -0.0010 -0.0010 -2.9012
|
|
Ag 21.41471 -56.16032 20.89775 0.0004 0.0004 0.0004 -2.9021
|
|
Ag 22.71418 -61.46005 21.33212 0.0028 0.0028 0.0028 -2.8681
|
|
Ag 24.30556 -56.49048 20.41081 -0.0006 -0.0006 -0.0006 -2.8278
|
|
Ag 24.84777 -61.66778 19.11651 -0.0005 -0.0005 -0.0005 -2.9015
|
|
Ag 21.67634 -57.28078 23.52086 0.0027 0.0027 0.0027 -2.8926
|
|
Ag 25.05231 -60.34379 21.46004 0.0009 0.0009 0.0009 -2.7818
|
|
Ag 22.26825 -60.21160 18.64632 0.0018 0.0018 0.0018 -2.8960
|
|
Ag 23.58504 -58.67995 16.51644 -0.0012 -0.0012 -0.0012 -2.8777
|
|
Ag 20.33818 -58.53096 19.87408 -0.0011 -0.0011 -0.0011 -2.8786
|
|
Ag 18.49935 -59.70567 18.16715 0.0001 0.0001 0.0001 -2.6866
|
|
Ag 29.78356 -59.21163 18.50500 0.0006 0.0006 0.0006 -2.5097
|
|
Ag 27.29104 -55.27007 16.65144 -0.0007 -0.0007 -0.0007 -2.5563
|
|
Ag 18.16986 -59.75516 21.07848 -0.0000 -0.0000 -0.0000 -2.6331
|
|
Ag 22.56776 -64.33932 21.17327 -0.0004 -0.0004 -0.0004 -2.5707
|
|
Ag 24.54635 -53.75142 20.47220 0.0004 0.0004 0.0004 -2.5732
|
|
Ag 24.14399 -63.15490 14.28365 -0.0014 -0.0014 -0.0014 -2.3194
|
|
Ag 26.87228 -56.84022 24.72496 0.0027 0.0027 0.0027 -2.3626
|
|
Ag 27.46767 -61.85381 21.69845 0.0017 0.0017 0.0017 -2.5300
|
|
Ag 25.48487 -53.37094 17.94575 -0.0003 -0.0003 -0.0003 -2.4567
|
|
Ag 22.06964 -65.68832 18.82294 -0.0009 -0.0009 -0.0009 -2.3196
|
|
Ag 21.52247 -62.82776 14.89999 0.0010 0.0010 0.0010 -2.4243
|
|
Ag 17.91228 -54.84714 17.73069 -0.0000 -0.0000 -0.0000 -2.3137
|
|
Ag 19.94773 -54.87118 15.77234 0.0007 0.0007 0.0007 -2.5527
|
|
Ag 21.40399 -61.27371 25.10136 0.0009 0.0009 0.0009 -2.4411
|
|
Ag 23.17053 -62.83672 23.63080 -0.0037 -0.0037 -0.0037 -2.5092
|
|
Ag 23.68550 -57.08709 25.45031 -0.0017 -0.0017 -0.0017 -2.4890
|
|
Ag 26.31777 -55.38766 22.33220 0.0014 0.0014 0.0014 -2.6364
|
|
Ag 17.35122 -58.82415 23.43554 0.0027 0.0027 0.0027 -2.1757
|
|
Ag 25.45086 -59.08229 25.36849 -0.0009 -0.0009 -0.0009 -2.5226
|
|
Ag 20.30777 -53.36733 18.15612 0.0006 0.0006 0.0006 -2.5414
|
|
Ag 22.54280 -57.38948 18.74085 -0.0025 -0.0025 -0.0025 -2.6621
|
|
Ag 22.74354 -54.64674 18.62461 0.0005 0.0005 0.0005 -2.8286
|
|
Ag 26.91972 -61.54421 14.88385 0.0054 0.0054 0.0054 -2.3899
|
|
Ag 23.38235 -61.58700 16.53519 0.0010 0.0010 0.0010 -2.9133
|
|
Ag 25.88725 -60.21645 16.79134 0.0005 0.0005 0.0005 -2.8325
|
|
Ag 29.06850 -56.97183 19.89943 0.0002 0.0002 0.0002 -2.4807
|
|
Ag 28.60482 -56.86610 22.61341 0.0018 0.0018 0.0018 -2.3480
|
|
Ag 18.24459 -57.35750 16.37159 -0.0002 -0.0002 -0.0002 -2.5454
|
|
Ag 25.09082 -63.13110 21.60393 -0.0011 -0.0011 -0.0011 -2.6415
|
|
Ag 27.25326 -57.73962 18.07884 -0.0057 -0.0057 -0.0057 -2.8532
|
|
Ag 22.54710 -53.36540 16.24468 -0.0043 -0.0043 -0.0043 -2.5030
|
|
Ag 20.07944 -58.87717 25.17968 -0.0041 -0.0041 -0.0041 -2.4480
|
|
Ag 20.73961 -58.54278 16.87079 -0.0020 -0.0020 -0.0020 -2.9168
|
|
Ag 25.69473 -61.60908 24.08152 -0.0003 -0.0003 -0.0003 -2.5473
|
|
Ag 26.79184 -55.32242 19.49950 -0.0014 -0.0014 -0.0014 -2.6928
|
|
Ag 22.30707 -56.20590 16.24556 -0.0055 -0.0055 -0.0055 -2.8163
|
|
Ag 23.35462 -55.00801 22.63176 0.0003 0.0003 0.0003 -2.7654
|
|
Ag 26.08387 -57.47583 15.65045 0.0010 0.0010 0.0010 -2.6815
|
|
Ag 18.99008 -56.56744 24.45054 0.0005 0.0005 0.0005 -2.2638
|
|
Ag 20.44055 -62.79344 22.36977 0.0029 0.0029 0.0029 -2.6096
|
|
Ag 22.58980 -59.25069 26.42199 0.0011 0.0011 0.0011 -2.3684
|
|
Ag 20.49604 -54.61603 23.06258 0.0008 0.0008 0.0008 -2.4678
|
|
Ag 20.31436 -57.49293 14.36538 -0.0014 -0.0014 -0.0014 -2.5054
|
|
Ag 19.17297 -54.59458 20.43090 -0.0017 -0.0017 -0.0017 -2.5256
|
|
Ag 25.09421 -54.82810 24.76962 0.0007 0.0007 0.0007 -2.2598
|
|
Ag 24.43377 -61.22670 26.55969 -0.0017 -0.0017 -0.0017 -2.1267
|
|
Ag 29.14213 -59.29364 21.36172 -0.0007 -0.0007 -0.0007 -2.5528
|
|
Ag 26.91929 -59.51314 23.01053 0.0012 0.0012 0.0012 -2.5719
|
|
Ag 21.56132 -60.04122 14.59686 0.0002 0.0002 0.0002 -2.6286
|
|
Ag 25.62182 -63.21616 16.81074 0.0030 0.0030 0.0030 -2.6526
|
|
Ag 23.27526 -57.59177 14.00376 0.0008 0.0008 0.0008 -2.4618
|
|
Ag 22.18632 -63.00161 18.64188 0.0015 0.0015 0.0015 -2.8872
|
|
Ag 28.18258 -61.78715 17.24935 0.0033 0.0033 0.0033 -2.5309
|
|
Ag 24.48824 -57.76449 22.84396 -0.0023 -0.0023 -0.0023 -2.8567
|
|
Ag 18.98573 -57.15842 21.83040 -0.0020 -0.0020 -0.0020 -2.6987
|
|
Ag 27.26573 -60.29417 19.36394 -0.0029 -0.0029 -0.0029 -2.9253
|
|
Ag 17.90358 -62.56940 21.12070 0.0026 0.0026 0.0026 -2.3563
|
|
Ag 20.10794 -56.20900 18.22874 0.0020 0.0020 0.0020 -2.8560
|
|
Ag 24.79678 -56.34773 17.63076 0.0021 0.0021 0.0021 -2.8330
|
|
Ag 22.11236 -54.98409 14.00960 -0.0008 -0.0008 -0.0008 -2.2682
|
|
Ag 23.17471 -52.01659 18.81336 0.0003 0.0003 0.0003 -2.2843
|
|
Ag 24.43809 -64.57727 18.93713 0.0006 0.0006 0.0006 -2.5025
|
|
Ag 20.73273 -59.72126 22.59154 0.0034 0.0034 0.0034 -2.9100
|
|
Ag 17.71622 -57.25481 19.14693 -0.0040 -0.0040 -0.0040 -2.4957
|
|
Ag 20.45362 -61.37843 16.94937 0.0013 0.0013 0.0013 -2.8212
|
|
Ag 18.78145 -59.94284 15.18780 0.0018 0.0018 0.0018 -2.2917
|
|
Ag 20.04768 -64.11518 20.03978 -0.0020 -0.0020 -0.0020 -2.5590
|
|
Ag 24.78262 -54.80699 15.43385 0.0017 0.0017 0.0017 -2.5025
|
|
Ag 26.95272 -59.12088 13.67347 0.0059 0.0059 0.0059 -2.2634
|
|
Ag 24.16357 -60.42902 14.08946 -0.0005 -0.0005 -0.0005 -2.5225
|
|
Ag 18.33715 -62.51046 18.37606 -0.0049 -0.0049 -0.0049 -2.3652
|
|
Ag 29.60399 -61.64902 19.85524 -0.0027 -0.0027 -0.0027 -2.3216
|
|
Ag 23.02932 -64.54686 16.41644 0.0021 0.0021 0.0021 -2.5590
|
|
Ag 21.70680 -53.36286 20.78224 0.0018 0.0018 0.0018 -2.5672
|
|
Ag 18.60973 -61.21472 23.61371 0.0000 0.0000 0.0000 -2.3850
|
|
Ag 27.18967 -63.11891 19.44855 0.0004 0.0004 0.0004 -2.4984
|
|
Ag 20.23105 -64.24338 17.04371 0.0005 0.0005 0.0005 -2.4459
|
|
Ag 29.52133 -56.92213 16.86833 -0.0037 -0.0037 -0.0037 -2.3607
|
|
Ag 28.34837 -59.35099 15.87422 0.0002 0.0002 0.0002 -2.6410
|
|
Ag 22.05080 -55.07098 25.01067 -0.0015 -0.0015 -0.0015 -2.2439
|
|
Ag 28.30846 -57.00265 14.37752 -0.0019 -0.0019 -0.0019 -2.2191
|