36 lines
3.3 KiB
Plaintext
36 lines
3.3 KiB
Plaintext
33
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 2.51766 -1.39387 1.19859 0.0028 0.0028 0.0028 -2.5743
|
|
Ag -3.38821 0.27863 -1.67921 0.0015 0.0015 0.0015 -2.4914
|
|
Ag -2.32530 -2.23788 -1.07769 -0.0014 -0.0014 -0.0014 -2.5867
|
|
Ag 4.12236 -1.07471 -0.98086 -0.0017 -0.0017 -0.0017 -2.3960
|
|
Ag -2.63073 -3.18303 1.56182 -0.0025 -0.0025 -0.0025 -2.3893
|
|
Ag -1.47566 1.28619 3.31300 -0.0009 -0.0009 -0.0009 -2.4988
|
|
Ag 3.24146 1.07731 2.11411 -0.0001 -0.0001 -0.0001 -2.4474
|
|
Ag 2.82506 3.03668 -1.79238 -0.0005 -0.0005 -0.0005 -2.3168
|
|
Ag 1.29443 2.47463 3.52771 -0.0027 -0.0027 -0.0027 -2.2489
|
|
Ag 0.20835 -1.49604 -0.63960 0.0034 0.0034 0.0034 -2.7581
|
|
Ag 1.96048 -1.16953 -2.77751 -0.0014 -0.0014 -0.0014 -2.5638
|
|
Ag 1.18141 -0.52730 3.70699 0.0010 0.0010 0.0010 -2.3708
|
|
Ag -1.02877 -0.59864 -2.99262 -0.0021 -0.0021 -0.0021 -2.5546
|
|
Ag 2.16963 3.34339 1.04636 0.0004 0.0004 0.0004 -2.4483
|
|
Ag 2.08069 0.79085 -0.71682 -0.0021 -0.0021 -0.0021 -2.8140
|
|
Ag -3.47171 1.37758 1.04153 0.0008 0.0008 0.0008 -2.4815
|
|
Ag -4.29411 -1.20511 0.56788 -0.0011 -0.0011 -0.0011 -2.3587
|
|
Ag -1.70035 -0.68984 1.21304 -0.0002 -0.0002 -0.0002 -2.7824
|
|
Ag -0.78368 3.09126 1.33805 -0.0024 -0.0024 -0.0024 -2.5107
|
|
Ag 0.15499 -2.62512 1.94168 -0.0030 -0.0030 -0.0030 -2.5632
|
|
Ag 0.03049 -3.16222 -2.62466 -0.0023 -0.0023 -0.0023 -2.3044
|
|
Ag -0.54137 -4.14979 -0.13773 0.0003 0.0003 0.0003 -2.3540
|
|
Ag 0.25494 3.57567 -1.17019 -0.0001 -0.0001 -0.0001 -2.4090
|
|
Ag 3.77497 0.81521 -2.92962 0.0020 0.0020 0.0020 -2.3175
|
|
Ag -2.70195 3.07886 -0.88666 -0.0004 -0.0004 -0.0004 -2.2996
|
|
Ag -1.80227 2.03957 -3.33151 0.0021 0.0021 0.0021 -2.2726
|
|
Ag 0.55236 0.66550 1.44764 0.0013 0.0013 0.0013 -2.7512
|
|
Ag 0.87643 1.28342 -3.39930 0.0000 0.0000 0.0000 -2.4758
|
|
Ag -0.87744 1.10187 -0.88307 -0.0026 -0.0026 -0.0026 -2.8452
|
|
Ag 4.62041 1.54902 -0.17964 0.0014 0.0014 0.0014 -2.3053
|
|
Ag -1.32118 -1.49355 3.92101 0.0006 0.0006 0.0006 -2.3347
|
|
Ag -3.70386 -0.51474 3.13769 -0.0002 -0.0002 -0.0002 -2.2911
|
|
Ag 2.29452 -3.23022 -0.76397 0.0002 0.0002 0.0002 -2.3672
|