59 lines
5.6 KiB
Plaintext
59 lines
5.6 KiB
Plaintext
56
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 4.23088 -2.81177 0.76489 -0.0008 -0.0008 -0.0008 -2.2435
|
|
Ag -4.71825 -1.59246 -0.27257 -0.0065 -0.0065 -0.0065 -2.4543
|
|
Ag 3.03284 -2.02392 3.48297 -0.0041 -0.0041 -0.0041 -2.2679
|
|
Ag 1.38507 3.47108 0.49266 0.0081 0.0081 0.0081 -2.4218
|
|
Ag 3.55957 -5.05530 -1.86852 -0.0024 -0.0024 -0.0024 -2.0630
|
|
Ag -3.87439 1.95242 -3.95281 -0.0044 -0.0044 -0.0044 -2.1022
|
|
Ag -0.55636 -3.86627 -2.20632 -0.0070 -0.0070 -0.0070 -2.5710
|
|
Ag -1.09139 2.90382 -4.54300 -0.0017 -0.0017 -0.0017 -2.3363
|
|
Ag 2.05355 -2.51323 -1.56031 0.0003 0.0003 0.0003 -2.7742
|
|
Ag -2.54434 -3.15757 0.67256 -0.0005 -0.0005 -0.0005 -2.3913
|
|
Ag 4.14754 3.55727 3.06842 -0.0020 -0.0020 -0.0020 -2.0420
|
|
Ag 3.57233 -0.86135 -3.80666 0.0012 0.0012 0.0012 -2.1270
|
|
Ag -3.35766 1.32137 4.98568 0.0012 0.0012 0.0012 -1.9556
|
|
Ag 3.43645 1.55907 0.50029 0.0015 0.0015 0.0015 -2.4737
|
|
Ag -6.18293 -0.01896 1.30249 -0.0049 -0.0049 -0.0049 -2.1769
|
|
Ag 0.58226 -2.62172 -5.90740 -0.0017 -0.0017 -0.0017 -1.8473
|
|
Ag 0.81666 0.58368 -4.77964 0.0063 0.0063 0.0063 -2.3637
|
|
Ag -0.61842 -0.45152 1.63912 0.0021 0.0021 0.0021 -2.8131
|
|
Ag 2.68486 3.88391 -2.08916 -0.0044 -0.0044 -0.0044 -2.2460
|
|
Ag -3.96358 1.81237 -0.45535 0.0036 0.0036 0.0036 -2.5433
|
|
Ag -4.81143 -0.29711 4.11603 0.0009 0.0009 0.0009 -1.9496
|
|
Ag -0.23183 3.80721 2.57441 0.0060 0.0060 0.0060 -2.1494
|
|
Ag 2.12481 -1.11128 0.99909 0.0047 0.0047 0.0047 -2.7756
|
|
Ag 0.29809 2.72775 -1.93909 -0.0030 -0.0030 -0.0030 -2.7116
|
|
Ag 4.30515 -0.91129 -1.23749 0.0020 0.0020 0.0020 -2.3246
|
|
Ag -1.02075 1.73086 3.57279 -0.0024 -0.0024 -0.0024 -2.3695
|
|
Ag 5.56765 -1.13441 2.28706 0.0039 0.0039 0.0039 -2.1667
|
|
Ag -1.23869 1.85485 0.18528 0.0053 0.0053 0.0053 -2.7562
|
|
Ag 3.82718 0.52836 3.49517 -0.0024 -0.0024 -0.0024 -2.4753
|
|
Ag -1.95836 -0.88923 -0.71820 -0.0007 -0.0007 -0.0007 -2.7358
|
|
Ag -1.80303 -0.81074 4.35646 0.0036 0.0036 0.0036 -2.4278
|
|
Ag 0.24381 -1.61174 -3.53679 0.0089 0.0089 0.0089 -2.5469
|
|
Ag -5.92903 2.71300 0.97497 0.0067 0.0067 0.0067 -1.8047
|
|
Ag -0.01434 -2.72091 0.22667 -0.0047 -0.0047 -0.0047 -2.5574
|
|
Ag -0.10955 -2.87821 2.91425 -0.0019 -0.0019 -0.0019 -2.2796
|
|
Ag -4.06279 -0.27598 -2.54603 -0.0030 -0.0030 -0.0030 -2.3819
|
|
Ag -2.37653 3.75515 4.22818 -0.0054 -0.0054 -0.0054 -2.0631
|
|
Ag 2.57798 1.99831 5.29917 0.0001 0.0001 0.0001 -2.0199
|
|
Ag 1.57872 3.32111 -4.54511 0.0032 0.0032 0.0032 -2.2503
|
|
Ag -2.43827 3.31438 -2.14143 -0.0014 -0.0014 -0.0014 -2.4062
|
|
Ag -1.52326 0.65179 -3.06840 -0.0001 -0.0001 -0.0001 -2.7599
|
|
Ag -4.21284 -2.28088 2.47082 -0.0015 -0.0015 -0.0015 -2.2624
|
|
Ag 1.53398 -4.80723 -0.21947 0.0043 0.0043 0.0043 -2.2947
|
|
Ag -3.66295 -4.45357 -1.99753 0.0016 0.0016 0.0016 -1.7727
|
|
Ag 2.11509 -3.64482 -3.93998 0.0069 0.0069 0.0069 -2.4002
|
|
Ag -3.28592 0.14354 1.59605 -0.0015 -0.0015 -0.0015 -2.7880
|
|
Ag 2.50715 1.10270 -2.41285 0.0050 0.0050 0.0050 -2.5740
|
|
Ag 0.94067 -5.92871 -2.80551 0.0035 0.0035 0.0035 -2.0646
|
|
Ag 0.64779 5.44252 -2.55866 0.0064 0.0064 0.0064 -1.9633
|
|
Ag 0.84743 -0.50090 4.08724 -0.0021 -0.0021 -0.0021 -2.5268
|
|
Ag 1.44471 1.62622 2.48292 -0.0014 -0.0014 -0.0014 -2.6794
|
|
Ag -2.61269 -2.48465 -3.25261 0.0004 0.0004 0.0004 -2.2991
|
|
Ag 5.53169 2.13366 4.44304 0.0033 0.0033 0.0033 -1.8280
|
|
Ag -2.65954 3.55668 1.50409 0.0008 0.0008 0.0008 -2.3108
|
|
Ag 6.04016 1.68136 2.07326 0.0045 0.0045 0.0045 -2.1205
|
|
Ag 0.42306 -0.22063 -1.23705 0.0026 0.0026 0.0026 -2.7120
|