47 lines
4.4 KiB
Plaintext
47 lines
4.4 KiB
Plaintext
44
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -2.29231 3.32797 -3.32244 -0.0016 -0.0016 -0.0016 -2.1459
|
|
Ag 4.23202 4.42265 2.75562 -0.0019 -0.0019 -0.0019 -1.8239
|
|
Ag 1.56665 0.10225 4.53999 0.0043 0.0043 0.0043 -2.0197
|
|
Ag 5.92848 -0.23750 -1.65106 0.0012 0.0012 0.0012 -1.8055
|
|
Ag -2.01413 -5.04535 0.42959 0.0009 0.0009 0.0009 -2.2992
|
|
Ag -1.39315 5.36045 -1.00565 0.0030 0.0030 0.0030 -2.0350
|
|
Ag -2.47030 -4.25853 -2.26862 0.0030 0.0030 0.0030 -2.2807
|
|
Ag -1.89055 1.19126 -1.68615 -0.0028 -0.0028 -0.0028 -2.3063
|
|
Ag 3.10699 3.82143 0.57220 -0.0008 -0.0008 -0.0008 -2.2194
|
|
Ag -2.59364 -1.44160 -2.30155 -0.0026 -0.0026 -0.0026 -2.6065
|
|
Ag 3.36388 -0.37722 2.78097 0.0037 0.0037 0.0037 -2.3871
|
|
Ag -0.17809 -2.77676 -1.96315 -0.0044 -0.0044 -0.0044 -2.4557
|
|
Ag -2.86469 3.31711 -0.29267 0.0026 0.0026 0.0026 -2.5357
|
|
Ag 1.76851 1.70192 -3.27475 -0.0019 -0.0019 -0.0019 -2.1949
|
|
Ag -0.00750 -5.29911 -1.23440 0.0011 0.0011 0.0011 -2.1648
|
|
Ag 2.27541 -1.97441 -2.74889 0.0022 0.0022 0.0022 -2.2800
|
|
Ag -1.60228 -2.15068 0.40167 0.0096 0.0096 0.0096 -2.7147
|
|
Ag 2.12299 0.64578 -0.33187 -0.0027 -0.0027 -0.0027 -2.5838
|
|
Ag 3.23058 -3.54775 -0.61912 0.0025 0.0025 0.0025 -2.2164
|
|
Ag 4.75386 -1.04018 0.54397 -0.0046 -0.0046 -0.0046 -2.2663
|
|
Ag -5.29779 -1.42212 -3.95237 -0.0054 -0.0054 -0.0054 -1.7187
|
|
Ag 1.88549 -0.76529 -5.08738 -0.0035 -0.0035 -0.0035 -1.7467
|
|
Ag -3.14394 0.20081 0.49423 -0.0019 -0.0019 -0.0019 -2.5783
|
|
Ag 3.55559 -3.35302 1.97016 0.0026 0.0026 0.0026 -2.2697
|
|
Ag -6.52289 0.70083 -1.84923 -0.0011 -0.0011 -0.0011 -1.8361
|
|
Ag -3.54238 -3.66232 2.24457 0.0021 0.0021 0.0021 -2.0361
|
|
Ag -0.02594 -0.40607 -2.76073 -0.0092 -0.0092 -0.0092 -2.4466
|
|
Ag -2.73192 -1.18963 2.68681 -0.0042 -0.0042 -0.0042 -2.2080
|
|
Ag -0.97155 1.71454 3.02070 0.0039 0.0039 0.0039 -2.3739
|
|
Ag -0.55395 1.45490 0.43813 0.0015 0.0015 0.0015 -2.6276
|
|
Ag 4.10185 1.58349 -1.74971 0.0036 0.0036 0.0036 -2.1913
|
|
Ag 4.21604 1.39930 1.00087 0.0047 0.0047 0.0047 -2.2825
|
|
Ag -4.26700 1.79280 -2.35168 -0.0046 -0.0046 -0.0046 -2.2073
|
|
Ag -0.70900 4.17328 1.41200 -0.0002 -0.0002 -0.0002 -2.4332
|
|
Ag 1.82205 1.96323 2.25031 0.0026 0.0026 0.0026 -2.6589
|
|
Ag 1.57522 4.53448 2.75359 -0.0017 -0.0017 -0.0017 -2.1213
|
|
Ag -3.95588 -3.37330 -0.23662 -0.0019 -0.0019 -0.0019 -2.2497
|
|
Ag 1.30282 -2.12527 0.30810 -0.0055 -0.0055 -0.0055 -2.6350
|
|
Ag -0.20662 -0.76436 1.99182 0.0011 0.0011 0.0011 -2.5171
|
|
Ag -0.15000 3.07984 -1.85461 -0.0008 -0.0008 -0.0008 -2.3988
|
|
Ag 1.41638 -2.49756 3.35396 0.0037 0.0037 0.0037 -2.3039
|
|
Ag -5.23591 -1.41395 -1.25862 0.0049 0.0049 0.0049 -2.1985
|
|
Ag -3.18478 2.89088 2.29407 -0.0002 -0.0002 -0.0002 -2.0565
|
|
Ag 1.18431 -4.65433 1.16086 -0.0063 -0.0063 -0.0063 -2.3088
|