68 lines
6.5 KiB
Plaintext
68 lines
6.5 KiB
Plaintext
65
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -2.50758 2.71877 -0.27714 0.0003 0.0003 0.0003 -2.7319
|
|
Ag -0.62224 3.94655 -4.40855 -0.0025 -0.0025 -0.0025 -2.2811
|
|
Ag 1.37977 1.99091 -4.35236 -0.0021 -0.0021 -0.0021 -2.4709
|
|
Ag 3.98359 2.54309 2.53245 -0.0014 -0.0014 -0.0014 -2.5302
|
|
Ag 3.14766 -0.35481 -3.59932 0.0006 0.0006 0.0006 -2.4822
|
|
Ag -2.54714 -2.92024 -1.44611 -0.0005 -0.0005 -0.0005 -2.7118
|
|
Ag -3.09876 -1.46543 -5.24875 0.0003 0.0003 0.0003 -2.2300
|
|
Ag 5.24910 2.49886 0.08139 -0.0019 -0.0019 -0.0019 -2.3309
|
|
Ag -1.28343 -3.28240 -4.07658 0.0007 0.0007 0.0007 -2.3862
|
|
Ag -4.09043 -3.87310 0.73165 0.0011 0.0011 0.0011 -2.1863
|
|
Ag 4.60304 -2.80089 0.03875 -0.0005 -0.0005 -0.0005 -2.4871
|
|
Ag 1.48212 3.88980 2.74299 0.0001 0.0001 0.0001 -2.5649
|
|
Ag 2.67883 -1.43944 1.74543 -0.0006 -0.0006 -0.0006 -2.9235
|
|
Ag 0.39998 -0.29694 0.45137 0.0018 0.0018 0.0018 -2.8489
|
|
Ag 1.32197 1.04822 2.57609 -0.0019 -0.0019 -0.0019 -2.8888
|
|
Ag 2.85267 1.11853 0.26153 0.0003 0.0003 0.0003 -2.9022
|
|
Ag 2.41512 2.27642 4.82037 0.0008 0.0008 0.0008 -2.3510
|
|
Ag -1.78562 -1.90682 1.04238 0.0007 0.0007 0.0007 -2.8130
|
|
Ag -4.57019 -1.36659 -0.06601 0.0035 0.0035 0.0035 -2.4772
|
|
Ag -2.31058 5.70414 0.68275 0.0009 0.0009 0.0009 -2.3150
|
|
Ag -4.34121 4.49820 -0.91616 -0.0007 -0.0007 -0.0007 -2.3433
|
|
Ag -1.33300 2.10709 -2.62301 0.0012 0.0012 0.0012 -2.8057
|
|
Ag -3.44527 3.71657 -3.55445 -0.0017 -0.0017 -0.0017 -2.3831
|
|
Ag 0.49486 5.44359 0.74254 -0.0018 -0.0018 -0.0018 -2.3050
|
|
Ag -4.10645 3.78705 1.77058 -0.0004 -0.0004 -0.0004 -2.3754
|
|
Ag 2.51000 -4.33843 -1.10316 0.0007 0.0007 0.0007 -2.5656
|
|
Ag 1.00586 -5.80433 0.67124 -0.0008 -0.0008 -0.0008 -2.2825
|
|
Ag 1.00075 -0.19875 5.12779 -0.0030 -0.0030 -0.0030 -2.5203
|
|
Ag -1.31002 3.76924 2.31157 0.0046 0.0046 0.0046 -2.6714
|
|
Ag -1.29979 0.82721 -5.63905 0.0010 0.0010 0.0010 -2.3034
|
|
Ag 3.69733 0.03574 3.91862 -0.0004 -0.0004 -0.0004 -2.5843
|
|
Ag 0.74805 -0.79224 -4.49726 -0.0023 -0.0023 -0.0023 -2.5097
|
|
Ag 2.56078 -1.44490 -1.13071 -0.0004 -0.0004 -0.0004 -2.8920
|
|
Ag -4.25865 -1.01495 -2.72262 0.0035 0.0035 0.0035 -2.4836
|
|
Ag -1.57024 0.87107 2.03468 -0.0017 -0.0017 -0.0017 -2.9408
|
|
Ag -1.61093 -4.88141 0.61965 0.0008 0.0008 0.0008 -2.4461
|
|
Ag -2.27753 0.02892 -0.78577 -0.0013 -0.0013 -0.0013 -2.8709
|
|
Ag -0.04854 -2.13462 -1.88475 0.0037 0.0037 0.0037 -2.7591
|
|
Ag -2.06508 -3.25025 3.33923 -0.0022 -0.0022 -0.0022 -2.4708
|
|
Ag 4.51565 -2.61453 -2.66382 -0.0002 -0.0002 -0.0002 -2.2675
|
|
Ag -3.84908 -1.16942 2.58212 0.0023 0.0023 0.0023 -2.4403
|
|
Ag -4.35760 1.68167 -1.82358 0.0020 0.0020 0.0020 -2.5850
|
|
Ag -0.29855 2.29673 4.54522 0.0008 0.0008 0.0008 -2.5212
|
|
Ag -4.29264 1.11070 0.99788 -0.0015 -0.0015 -0.0015 -2.5532
|
|
Ag 0.87767 3.56552 -2.20008 0.0017 0.0017 0.0017 -2.5777
|
|
Ag -2.98931 2.27852 3.97262 -0.0003 -0.0003 -0.0003 -2.2900
|
|
Ag -3.63432 1.16309 -4.39863 -0.0005 -0.0005 -0.0005 -2.4551
|
|
Ag 2.43841 -2.54484 4.30345 -0.0018 -0.0018 -0.0018 -2.5446
|
|
Ag -0.50197 -4.99979 -2.01648 -0.0011 -0.0011 -0.0011 -2.3417
|
|
Ag 2.94029 -4.27833 1.75558 0.0002 0.0002 0.0002 -2.5226
|
|
Ag 5.01792 -2.24051 3.08454 0.0039 0.0039 0.0039 -2.2629
|
|
Ag -1.60703 -0.55848 -3.28019 0.0016 0.0016 0.0016 -2.6537
|
|
Ag 5.18574 0.19657 -1.27985 -0.0012 -0.0012 -0.0012 -2.4224
|
|
Ag -1.59345 4.76380 -1.91026 0.0003 0.0003 0.0003 -2.5387
|
|
Ag 1.84337 -3.13911 -3.49701 0.0012 0.0012 0.0012 -2.4696
|
|
Ag 3.42582 2.27230 -2.19491 -0.0021 -0.0021 -0.0021 -2.5593
|
|
Ag 0.59641 -4.13440 3.19413 -0.0017 -0.0017 -0.0017 -2.5311
|
|
Ag 0.32325 2.60106 0.39615 0.0021 0.0021 0.0021 -2.9085
|
|
Ag 2.76480 3.88850 0.17238 0.0027 0.0027 0.0027 -2.5600
|
|
Ag 0.64725 -3.13859 0.57531 -0.0033 -0.0033 -0.0033 -2.8644
|
|
Ag 1.01944 0.77839 -1.96660 -0.0006 -0.0006 -0.0006 -2.8759
|
|
Ag 5.08278 -0.03792 1.42113 0.0011 0.0011 0.0011 -2.5551
|
|
Ag -0.26380 -2.65482 5.37712 -0.0016 -0.0016 -0.0016 -2.3311
|
|
Ag -1.92695 -0.38546 4.48739 0.0004 0.0004 0.0004 -2.5340
|
|
Ag 0.19052 -1.35057 3.05851 0.0036 0.0036 0.0036 -2.7676
|