67 lines
6.4 KiB
Plaintext
67 lines
6.4 KiB
Plaintext
64
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -2.57992 -4.27847 -3.91305 -0.0027 -0.0027 -0.0027 -2.3071
|
|
Ag 0.96300 -1.18512 -2.58520 0.0021 0.0021 0.0021 -2.8347
|
|
Ag 1.74748 5.18663 3.06642 0.0015 0.0015 0.0015 -2.3240
|
|
Ag -1.25856 -3.30274 3.53692 0.0014 0.0014 0.0014 -2.5527
|
|
Ag -1.12523 2.24102 -5.09347 0.0030 0.0030 0.0030 -2.2898
|
|
Ag 1.46205 2.78660 1.87452 -0.0012 -0.0012 -0.0012 -2.7708
|
|
Ag -0.15865 -0.01899 -0.05122 -0.0001 -0.0001 -0.0001 -2.7895
|
|
Ag -3.03640 3.04862 -0.54227 -0.0014 -0.0014 -0.0014 -2.4343
|
|
Ag -4.57165 -1.64996 0.73231 -0.0022 -0.0022 -0.0022 -2.5370
|
|
Ag -0.73379 1.15059 -2.46419 0.0018 0.0018 0.0018 -2.7714
|
|
Ag 4.63607 -0.39028 -1.27645 0.0022 0.0022 0.0022 -2.4900
|
|
Ag -1.95891 -1.28104 1.66257 -0.0004 -0.0004 -0.0004 -2.8858
|
|
Ag -1.68445 5.20840 -0.20393 -0.0014 -0.0014 -0.0014 -2.3531
|
|
Ag -2.21471 -0.25478 -5.70138 -0.0006 -0.0006 -0.0006 -2.3499
|
|
Ag -0.79831 -2.44496 -5.41930 -0.0020 -0.0020 -0.0020 -2.3280
|
|
Ag 0.40911 5.31512 -2.03955 0.0007 0.0007 0.0007 -2.2728
|
|
Ag 0.94842 5.17102 0.54167 -0.0010 -0.0010 -0.0010 -2.5095
|
|
Ag 4.49564 2.25372 -2.22605 0.0010 0.0010 0.0010 -2.2651
|
|
Ag 4.55451 -1.30112 1.19524 -0.0009 -0.0009 -0.0009 -2.4746
|
|
Ag -3.78670 -2.36826 3.38372 0.0002 0.0002 0.0002 -2.3191
|
|
Ag -4.83136 0.99501 0.38350 -0.0018 -0.0018 -0.0018 -2.3912
|
|
Ag 3.02494 -2.89067 -2.80761 -0.0021 -0.0021 -0.0021 -2.4708
|
|
Ag -0.56255 -2.50536 -0.55845 0.0012 0.0012 0.0012 -2.8416
|
|
Ag 0.55161 0.15371 -4.87727 -0.0050 -0.0050 -0.0050 -2.6024
|
|
Ag -1.67714 -1.54523 -3.15702 0.0015 0.0015 0.0015 -2.7989
|
|
Ag -0.16388 -4.62864 1.26501 -0.0028 -0.0028 -0.0028 -2.5531
|
|
Ag 1.75696 -2.34997 -5.14276 -0.0006 -0.0006 -0.0006 -2.2922
|
|
Ag -3.56245 -3.09600 -1.69739 -0.0044 -0.0044 -0.0044 -2.6301
|
|
Ag -0.04559 0.56972 3.09141 -0.0012 -0.0012 -0.0012 -2.8992
|
|
Ag -1.27922 -4.93873 -1.19249 0.0013 0.0013 0.0013 -2.4277
|
|
Ag -1.90171 3.61414 -2.90411 0.0022 0.0022 0.0022 -2.3967
|
|
Ag 3.65142 3.42549 4.00759 -0.0026 -0.0026 -0.0026 -2.3138
|
|
Ag 1.31758 2.53764 -3.49685 0.0016 0.0016 0.0016 -2.5636
|
|
Ag -3.55747 0.67859 -3.55999 -0.0002 -0.0002 -0.0002 -2.4881
|
|
Ag -0.30330 2.85162 -0.64744 -0.0010 -0.0010 -0.0010 -2.8203
|
|
Ag 4.43710 -3.33002 -0.50105 0.0008 0.0008 0.0008 -2.2885
|
|
Ag 2.42834 0.91875 4.64550 0.0010 0.0010 0.0010 -2.5659
|
|
Ag 3.66375 4.15164 1.28598 -0.0018 -0.0018 -0.0018 -2.3807
|
|
Ag 0.73903 3.11126 4.43899 0.0006 0.0006 0.0006 -2.5219
|
|
Ag -4.04822 -1.99661 -4.30721 -0.0003 -0.0003 -0.0003 -2.4079
|
|
Ag 2.19771 -1.79678 -0.20071 0.0002 0.0002 0.0002 -2.9095
|
|
Ag 0.12743 -3.93991 -3.37258 -0.0016 -0.0016 -0.0016 -2.6005
|
|
Ag -0.16763 1.08453 5.89732 0.0007 0.0007 0.0007 -2.3031
|
|
Ag 0.65474 -1.96602 2.13083 0.0021 0.0021 0.0021 -2.8725
|
|
Ag 1.29351 -4.01437 3.94473 0.0004 0.0004 0.0004 -2.3185
|
|
Ag -2.90403 -0.32178 -1.06572 -0.0001 -0.0001 -0.0001 -2.8262
|
|
Ag -3.88648 0.32393 2.97902 -0.0010 -0.0010 -0.0010 -2.5364
|
|
Ag 4.69866 0.96009 3.16588 -0.0017 -0.0017 -0.0017 -2.3078
|
|
Ag 2.43454 -4.12718 1.36547 0.0009 0.0009 0.0009 -2.4678
|
|
Ag 2.37283 3.67159 -1.32870 -0.0010 -0.0010 -0.0010 -2.5225
|
|
Ag -2.76417 -3.84483 1.04845 0.0017 0.0017 0.0017 -2.5486
|
|
Ag -5.33705 -0.95683 -2.06763 -0.0008 -0.0008 -0.0008 -2.3071
|
|
Ag 4.33936 1.57424 0.44134 -0.0012 -0.0012 -0.0012 -2.5563
|
|
Ag 1.52371 -4.42570 -1.03756 0.0008 0.0008 0.0008 -2.5421
|
|
Ag -1.94108 1.50191 1.32858 -0.0004 -0.0004 -0.0004 -2.7808
|
|
Ag -3.65414 3.41312 2.04375 -0.0008 -0.0008 -0.0008 -2.3080
|
|
Ag -0.91868 4.13191 2.36289 -0.0011 -0.0011 -0.0011 -2.6503
|
|
Ag -2.09515 2.13129 4.02959 0.0032 0.0032 0.0032 -2.5479
|
|
Ag 3.03283 -1.93404 3.36580 0.0001 0.0001 0.0001 -2.5193
|
|
Ag 0.68731 -1.46865 4.90781 0.0013 0.0013 0.0013 -2.5722
|
|
Ag 2.40547 0.27314 1.83150 0.0008 0.0008 0.0008 -2.7960
|
|
Ag 3.09079 0.13629 -3.77750 -0.0045 -0.0045 -0.0045 -2.4859
|
|
Ag -2.03514 -0.86986 4.55824 -0.0025 -0.0025 -0.0025 -2.5403
|
|
Ag 2.11406 1.06787 -1.08017 0.0025 0.0025 0.0025 -2.8757
|