59 lines
5.6 KiB
Plaintext
59 lines
5.6 KiB
Plaintext
56
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -4.65586 -3.00732 2.83005 -0.0031 -0.0031 -0.0031 -2.1065
|
|
Ag -3.17055 0.05904 -0.56893 -0.0036 -0.0036 -0.0036 -2.7508
|
|
Ag -0.84731 -2.53071 -3.10894 -0.0047 -0.0047 -0.0047 -2.4348
|
|
Ag 2.44169 1.99922 0.65957 -0.0013 -0.0013 -0.0013 -2.6453
|
|
Ag 0.73089 -1.26692 -4.69507 0.0016 0.0016 0.0016 -2.3460
|
|
Ag -2.50471 1.46997 -4.67265 -0.0029 -0.0029 -0.0029 -2.2849
|
|
Ag -2.51156 3.26845 -1.00188 -0.0004 -0.0004 -0.0004 -2.4604
|
|
Ag 4.71207 1.34631 -1.01005 -0.0043 -0.0043 -0.0043 -2.2935
|
|
Ag -5.82519 -0.60287 -1.33524 0.0036 0.0036 0.0036 -2.3578
|
|
Ag -4.28462 -2.66863 0.05229 -0.0016 -0.0016 -0.0016 -2.3676
|
|
Ag 2.01964 -1.67732 -0.49464 -0.0002 -0.0002 -0.0002 -2.4253
|
|
Ag -2.57724 -4.15250 4.16487 0.0050 0.0050 0.0050 -2.1055
|
|
Ag -1.78226 -3.39669 -0.70078 0.0007 0.0007 0.0007 -2.5144
|
|
Ag 2.00083 3.74777 2.84158 -0.0042 -0.0042 -0.0042 -2.3965
|
|
Ag -3.77504 1.92171 1.38730 -0.0006 -0.0006 -0.0006 -2.3269
|
|
Ag 3.61234 -3.48793 0.55664 -0.0014 -0.0014 -0.0014 -2.2074
|
|
Ag 0.80442 6.07164 2.47679 0.0017 0.0017 0.0017 -2.0382
|
|
Ag -2.10224 -1.62919 -5.79897 0.0031 0.0031 0.0031 -1.7944
|
|
Ag 0.95099 -2.69648 3.92481 -0.0017 -0.0017 -0.0017 -2.2569
|
|
Ag -1.32950 0.80763 -2.45405 0.0039 0.0039 0.0039 -2.6613
|
|
Ag 4.57075 -1.07982 -1.04089 0.0019 0.0019 0.0019 -2.2096
|
|
Ag 2.09353 -5.04347 2.36527 0.0020 0.0020 0.0020 -2.0047
|
|
Ag 0.23199 1.60970 -4.57509 -0.0001 -0.0001 -0.0001 -2.2398
|
|
Ag 2.91546 5.24591 0.79006 0.0001 0.0001 0.0001 -2.4716
|
|
Ag -0.09028 2.55875 4.00837 0.0034 0.0034 0.0034 -2.0980
|
|
Ag 1.31149 0.15320 -2.41011 0.0032 0.0032 0.0032 -2.5002
|
|
Ag 0.48526 6.17242 -0.04482 0.0029 0.0029 0.0029 -2.1048
|
|
Ag -5.86527 1.86298 -0.31219 -0.0027 -0.0027 -0.0027 -2.2747
|
|
Ag -1.83343 0.25417 2.49823 -0.0031 -0.0031 -0.0031 -2.4092
|
|
Ag -0.69728 1.82849 0.62309 -0.0025 -0.0025 -0.0025 -2.4484
|
|
Ag 0.13576 -4.84116 -1.83055 0.0008 0.0008 0.0008 -2.2674
|
|
Ag -3.00755 -4.71754 1.67189 0.0069 0.0069 0.0069 -2.4105
|
|
Ag -5.76656 -0.63810 1.27990 -0.0016 -0.0016 -0.0016 -2.3134
|
|
Ag 3.77809 1.97351 3.68024 0.0019 0.0019 0.0019 -2.2448
|
|
Ag -1.14202 -6.05663 0.25704 -0.0038 -0.0038 -0.0038 -2.1858
|
|
Ag 3.48473 -1.10268 -3.74731 -0.0024 -0.0024 -0.0024 -2.1179
|
|
Ag 0.82629 0.32870 5.04862 0.0040 0.0040 0.0040 -2.0832
|
|
Ag -1.31211 -2.57209 2.21940 0.0015 0.0015 0.0015 -2.6796
|
|
Ag 3.18928 -0.82475 3.91214 0.0015 0.0015 0.0015 -2.2065
|
|
Ag 1.27279 -3.91584 -4.05361 -0.0007 -0.0007 -0.0007 -2.1461
|
|
Ag 4.65261 0.35925 1.87505 0.0032 0.0032 0.0032 -2.3354
|
|
Ag 6.87567 2.85920 -0.18559 -0.0033 -0.0033 -0.0033 -1.9766
|
|
Ag -8.24781 -0.18717 -0.30680 -0.0045 -0.0045 -0.0045 -1.7303
|
|
Ag -0.46097 -5.23394 2.92595 -0.0052 -0.0052 -0.0052 -2.3929
|
|
Ag 0.91841 -3.60214 0.77787 0.0021 0.0021 0.0021 -2.4683
|
|
Ag -4.12422 1.75585 -2.44272 0.0040 0.0040 0.0040 -2.4560
|
|
Ag 1.12942 0.11729 2.28378 -0.0008 -0.0008 -0.0008 -2.5426
|
|
Ag 5.63547 5.26321 -0.22262 -0.0061 -0.0061 -0.0061 -2.0384
|
|
Ag 3.55034 3.73333 -1.28873 0.0024 0.0024 0.0024 -2.3899
|
|
Ag -0.12539 -0.51824 0.31721 0.0029 0.0029 0.0029 -2.3085
|
|
Ag -1.31436 4.19465 1.06559 -0.0023 -0.0023 -0.0023 -2.2410
|
|
Ag -1.31117 3.71734 -3.42621 -0.0042 -0.0042 -0.0042 -2.1638
|
|
Ag 3.44065 -3.60676 -2.35840 -0.0057 -0.0057 -0.0057 -2.2048
|
|
Ag 4.66509 3.08435 1.23917 0.0086 0.0086 0.0086 -2.4852
|
|
Ag 0.68549 3.65201 -1.04308 -0.0013 -0.0013 -0.0013 -2.5238
|
|
Ag -3.13428 -1.03650 -3.28025 0.0021 0.0021 0.0021 -2.4267
|