40 lines
3.7 KiB
Plaintext
40 lines
3.7 KiB
Plaintext
37
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 0.31857 -0.06648 -4.28225 0.0050 0.0050 0.0050 -2.4835
|
|
Ag -3.44777 -0.25346 -0.61949 -0.0005 -0.0005 -0.0005 -2.5267
|
|
Ag 2.28805 -2.15568 -3.84801 0.0008 0.0008 0.0008 -2.2959
|
|
Ag -0.48429 4.01556 -2.27050 0.0013 0.0013 0.0013 -2.3212
|
|
Ag -2.39656 -0.41323 -3.09764 -0.0007 -0.0007 -0.0007 -2.4900
|
|
Ag 0.61771 2.78456 2.17155 -0.0004 -0.0004 -0.0004 -2.5350
|
|
Ag -1.92198 -1.19226 4.30087 0.0000 0.0000 0.0000 -2.3302
|
|
Ag -3.91968 2.17516 0.75515 0.0009 0.0009 0.0009 -2.2726
|
|
Ag 1.99468 -2.08690 0.51140 -0.0011 -0.0011 -0.0011 -2.6179
|
|
Ag 1.59851 2.16376 -3.05162 -0.0013 -0.0013 -0.0013 -2.5315
|
|
Ag -3.00415 2.39048 -1.82128 -0.0027 -0.0027 -0.0027 -2.4206
|
|
Ag -3.43891 0.80382 3.01120 -0.0025 -0.0025 -0.0025 -2.2783
|
|
Ag -2.50389 -1.88291 1.53173 -0.0010 -0.0010 -0.0010 -2.5892
|
|
Ag -0.77084 -1.18712 -0.43716 0.0002 0.0002 0.0002 -2.7930
|
|
Ag -0.49500 -2.34613 -2.91658 -0.0007 -0.0007 -0.0007 -2.5098
|
|
Ag -1.42975 0.99171 1.29843 0.0004 0.0004 0.0004 -2.8329
|
|
Ag 2.04994 0.62624 3.35296 0.0012 0.0012 0.0012 -2.5852
|
|
Ag -0.51835 -3.65859 0.40675 -0.0008 -0.0008 -0.0008 -2.4138
|
|
Ag -0.69646 1.02746 3.99864 0.0017 0.0017 0.0017 -2.5182
|
|
Ag 3.47338 0.16122 -3.61981 0.0023 0.0023 0.0023 -2.2624
|
|
Ag -1.57788 3.53582 3.34708 -0.0031 -0.0031 -0.0031 -2.0200
|
|
Ag 3.99308 -1.59363 -1.35972 -0.0017 -0.0017 -0.0017 -2.3298
|
|
Ag 3.61255 1.34169 -0.90535 0.0029 0.0029 0.0029 -2.5395
|
|
Ag -2.76697 -2.75127 -1.48343 -0.0029 -0.0029 -0.0029 -2.2893
|
|
Ag 1.46293 3.17840 -0.41079 0.0001 0.0001 0.0001 -2.5616
|
|
Ag 0.66180 -1.47985 4.96463 0.0019 0.0019 0.0019 -2.2895
|
|
Ag 1.52230 -0.52754 -1.87205 0.0021 0.0021 0.0021 -2.8282
|
|
Ag 3.22753 2.36596 1.51820 0.0007 0.0007 0.0007 -2.3108
|
|
Ag -0.57270 1.30222 -1.52744 0.0014 0.0014 0.0014 -2.8808
|
|
Ag 4.00979 -0.12303 1.49543 0.0004 0.0004 0.0004 -2.3963
|
|
Ag -0.68308 -3.49089 3.17837 0.0008 0.0008 0.0008 -2.2641
|
|
Ag 0.09229 -1.08031 2.36377 0.0023 0.0023 0.0023 -2.7853
|
|
Ag -1.52210 3.37198 0.16595 0.0010 0.0010 0.0010 -2.5069
|
|
Ag 2.48395 -2.23576 3.02188 0.0037 0.0037 0.0037 -2.2526
|
|
Ag 1.36339 0.67678 0.65624 0.0017 0.0017 0.0017 -2.8491
|
|
Ag 1.51638 -3.64420 -1.66621 0.0020 0.0020 0.0020 -2.3020
|
|
Ag -1.33311 2.05979 -4.05752 -0.0000 -0.0000 -0.0000 -2.3257
|