79 lines
7.6 KiB
Plaintext
79 lines
7.6 KiB
Plaintext
76
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -0.97685 -1.51586 -0.19663 -0.0034 -0.0034 -0.0034 -2.6695
|
|
Ag 6.22383 2.03281 -1.16515 -0.0055 -0.0055 -0.0055 -2.1492
|
|
Ag -4.30892 -2.97441 0.59889 -0.0012 -0.0012 -0.0012 -2.4157
|
|
Ag 5.18084 -2.31431 2.30044 0.0040 0.0040 0.0040 -2.4908
|
|
Ag 3.31106 -4.47254 -0.66493 0.0072 0.0072 0.0072 -2.3384
|
|
Ag 1.48627 -4.99036 1.20570 0.0019 0.0019 0.0019 -2.3525
|
|
Ag 2.97519 -0.72907 3.28316 -0.0078 -0.0078 -0.0078 -2.7450
|
|
Ag -0.65930 3.82142 -0.58651 -0.0035 -0.0035 -0.0035 -2.5761
|
|
Ag 4.48432 1.17388 1.82243 0.0020 0.0020 0.0020 -2.6058
|
|
Ag -3.21423 -4.95715 3.26015 -0.0015 -0.0015 -0.0015 -2.2195
|
|
Ag 3.90558 0.93240 6.05659 0.0023 0.0023 0.0023 -1.9283
|
|
Ag 3.23088 2.52605 4.00863 0.0007 0.0007 0.0007 -2.2873
|
|
Ag -4.77722 -5.55902 0.89237 -0.0035 -0.0035 -0.0035 -1.9069
|
|
Ag 1.90121 3.04263 1.27730 -0.0026 -0.0026 -0.0026 -2.7528
|
|
Ag 1.75198 -1.29369 -4.36506 -0.0057 -0.0057 -0.0057 -2.3048
|
|
Ag -3.32793 -2.51534 -2.03541 -0.0039 -0.0039 -0.0039 -2.2727
|
|
Ag -3.32478 -0.33518 -3.69595 0.0006 0.0006 0.0006 -2.3447
|
|
Ag 2.13490 0.19930 1.05418 0.0013 0.0013 0.0013 -2.6439
|
|
Ag 0.84570 -2.48041 1.92569 0.0052 0.0052 0.0052 -2.7631
|
|
Ag 3.26692 -3.70936 3.09866 0.0049 0.0049 0.0049 -2.3515
|
|
Ag -1.46244 1.20833 5.09442 -0.0028 -0.0028 -0.0028 -2.1290
|
|
Ag 0.73158 -0.23862 4.76364 -0.0023 -0.0023 -0.0023 -2.0598
|
|
Ag 4.94618 -4.71083 -2.74732 0.0036 0.0036 0.0036 -2.0484
|
|
Ag -5.92469 3.47293 -1.24389 0.0064 0.0064 0.0064 -2.3982
|
|
Ag 4.63229 3.62023 0.45375 -0.0011 -0.0011 -0.0011 -2.3092
|
|
Ag -0.55450 4.51248 -3.22823 -0.0026 -0.0026 -0.0026 -2.3743
|
|
Ag -2.68320 5.45969 1.04566 0.0010 0.0010 0.0010 -2.3903
|
|
Ag -4.86568 3.64410 1.20508 0.0032 0.0032 0.0032 -2.5083
|
|
Ag 1.46961 7.13546 -0.65542 0.0000 0.0000 0.0000 -1.9471
|
|
Ag 2.18382 -3.87372 -3.39995 -0.0021 -0.0021 -0.0021 -2.3369
|
|
Ag 2.90981 5.68293 1.24901 -0.0035 -0.0035 -0.0035 -2.3341
|
|
Ag -1.10114 -2.70924 5.72057 0.0026 0.0026 0.0026 -1.9476
|
|
Ag 4.19571 -2.36506 5.08801 0.0033 0.0033 0.0033 -2.1774
|
|
Ag 3.04535 -2.30348 0.45180 0.0044 0.0044 0.0044 -2.6608
|
|
Ag -1.81443 -3.08424 1.91347 -0.0033 -0.0033 -0.0033 -2.6256
|
|
Ag -2.46344 0.01909 1.70317 0.0047 0.0047 0.0047 -2.7213
|
|
Ag -1.91353 6.14509 -1.53426 0.0017 0.0017 0.0017 -2.3372
|
|
Ag 3.44727 0.62705 -1.55677 -0.0075 -0.0075 -0.0075 -2.5563
|
|
Ag -5.58782 5.39416 -3.11524 0.0036 0.0036 0.0036 -2.0149
|
|
Ag -0.64068 -5.33270 2.80335 0.0002 0.0002 0.0002 -2.2359
|
|
Ag -0.30273 1.00026 2.69856 -0.0011 -0.0011 -0.0011 -2.4320
|
|
Ag 4.11863 3.47460 -2.50855 0.0036 0.0036 0.0036 -2.1517
|
|
Ag -0.73730 -0.37913 -4.52901 0.0043 0.0043 0.0043 -2.3938
|
|
Ag -4.07767 2.34087 -3.00739 0.0008 0.0008 0.0008 -2.5501
|
|
Ag -3.20735 4.05141 -1.07101 0.0015 0.0015 0.0015 -2.6121
|
|
Ag -3.51475 1.87553 3.75547 0.0019 0.0019 0.0019 -2.2172
|
|
Ag 0.25832 5.55454 1.09270 0.0058 0.0058 0.0058 -2.4249
|
|
Ag 1.79069 4.82807 3.49617 0.0003 0.0003 0.0003 -2.0481
|
|
Ag 1.85721 4.35003 -1.22999 0.0043 0.0043 0.0043 -2.6023
|
|
Ag -3.20066 4.94218 -3.79615 0.0025 0.0025 0.0025 -2.3180
|
|
Ag 6.83337 -0.43272 -2.35851 -0.0020 -0.0020 -0.0020 -2.0391
|
|
Ag -1.71554 1.14643 -1.66834 0.0045 0.0045 0.0045 -2.6135
|
|
Ag 5.79377 0.54082 4.27890 -0.0016 -0.0016 -0.0016 -2.1917
|
|
Ag 1.20657 -1.93485 -1.74341 -0.0014 -0.0014 -0.0014 -2.6631
|
|
Ag -2.09468 -5.26903 0.33940 -0.0033 -0.0033 -0.0033 -2.3495
|
|
Ag -6.76696 1.20246 0.04686 -0.0046 -0.0046 -0.0046 -2.1752
|
|
Ag 1.62626 2.96501 -3.53767 0.0045 0.0045 0.0045 -2.2751
|
|
Ag -0.18090 -4.21537 -1.19982 0.0069 0.0069 0.0069 -2.2879
|
|
Ag -2.42162 -2.94310 -4.39714 -0.0035 -0.0035 -0.0035 -2.0401
|
|
Ag -5.12413 0.24910 2.14053 0.0005 0.0005 0.0005 -2.4351
|
|
Ag 3.96756 -2.17377 -2.35457 0.0013 0.0013 0.0013 -2.6659
|
|
Ag 1.36745 -2.70814 4.64199 -0.0052 -0.0052 -0.0052 -2.4298
|
|
Ag 5.21513 -0.81947 -0.31073 -0.0036 -0.0036 -0.0036 -2.6348
|
|
Ag -3.89319 -2.02230 3.31219 0.0023 0.0023 0.0023 -2.3569
|
|
Ag -1.50938 2.33561 -4.06630 -0.0008 -0.0008 -0.0008 -2.4012
|
|
Ag -5.23817 5.77526 -0.70820 -0.0046 -0.0046 -0.0046 -2.1849
|
|
Ag -0.14808 1.36589 0.19989 -0.0027 -0.0027 -0.0027 -2.4442
|
|
Ag 7.69186 -1.98895 -0.53414 0.0025 0.0025 0.0025 -2.0150
|
|
Ag -2.39164 2.60090 1.38385 0.0054 0.0054 0.0054 -2.6174
|
|
Ag 5.62806 -3.50927 -0.35043 -0.0095 -0.0095 -0.0095 -2.3846
|
|
Ag 7.32483 -0.31589 2.24268 0.0008 0.0008 0.0008 -1.9445
|
|
Ag -5.14401 -0.85600 -0.64067 -0.0058 -0.0058 -0.0058 -2.3090
|
|
Ag 0.88071 0.82697 -2.16296 0.0071 0.0071 0.0071 -2.5868
|
|
Ag -1.07237 -1.23606 3.69521 -0.0004 -0.0004 -0.0004 -2.1624
|
|
Ag -4.00982 1.52488 -0.28582 0.0057 0.0057 0.0057 -2.6405
|
|
Ag -0.17216 -3.03537 -5.65218 0.0006 0.0006 0.0006 -1.9128
|