83 lines
8.0 KiB
Plaintext
83 lines
8.0 KiB
Plaintext
80
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 5.99154 0.12084 2.59045 0.0004 0.0004 0.0004 -2.3163
|
|
Ag -1.09428 1.56794 -3.62385 -0.0047 -0.0047 -0.0047 -2.6546
|
|
Ag -3.54717 1.54217 -5.26016 0.0069 0.0069 0.0069 -2.4359
|
|
Ag 6.42490 2.98569 6.03639 0.0001 0.0001 0.0001 -1.8684
|
|
Ag 4.66520 2.33463 2.15660 0.0074 0.0074 0.0074 -2.5118
|
|
Ag -0.84765 1.47232 3.48370 -0.0089 -0.0089 -0.0089 -2.5027
|
|
Ag 1.77241 -2.47692 0.66820 -0.0028 -0.0028 -0.0028 -2.6444
|
|
Ag -0.61589 -1.53437 -0.49113 -0.0069 -0.0069 -0.0069 -2.7319
|
|
Ag -0.79990 -3.48467 -4.06221 0.0013 0.0013 0.0013 -2.3857
|
|
Ag 0.02443 -0.97014 2.48194 -0.0015 -0.0015 -0.0015 -2.7749
|
|
Ag 5.08744 0.76301 8.87469 -0.0043 -0.0043 -0.0043 -2.1601
|
|
Ag -4.49044 3.35785 3.53840 -0.0042 -0.0042 -0.0042 -1.8136
|
|
Ag 2.97925 2.39281 -0.14614 -0.0001 -0.0001 -0.0001 -2.6702
|
|
Ag -6.33719 0.46472 -0.59592 -0.0064 -0.0064 -0.0064 -2.4034
|
|
Ag -5.11464 -1.71004 -1.52721 0.0011 0.0011 0.0011 -2.4685
|
|
Ag 5.48294 0.97729 -0.23941 0.0019 0.0019 0.0019 -2.4503
|
|
Ag 6.63919 -1.34837 0.55185 -0.0038 -0.0038 -0.0038 -1.9388
|
|
Ag 1.14043 1.63050 -2.26693 -0.0025 -0.0025 -0.0025 -2.6339
|
|
Ag 1.71578 0.55165 -4.67680 0.0059 0.0059 0.0059 -2.4176
|
|
Ag 0.01494 -0.63179 -2.79189 0.0039 0.0039 0.0039 -2.6242
|
|
Ag -1.04911 -4.80936 -1.76168 -0.0025 -0.0025 -0.0025 -2.2379
|
|
Ag 1.88138 2.55643 -6.32626 -0.0001 -0.0001 -0.0001 -2.1522
|
|
Ag -2.49821 3.38571 1.95720 0.0039 0.0039 0.0039 -2.4931
|
|
Ag -3.66382 2.31293 -2.76297 0.0011 0.0011 0.0011 -2.4446
|
|
Ag 6.06390 0.29407 6.51733 -0.0041 -0.0041 -0.0041 -2.3362
|
|
Ag 2.40290 -3.89480 5.50649 0.0039 0.0039 0.0039 -2.1808
|
|
Ag -2.78951 -2.13126 2.95358 -0.0019 -0.0019 -0.0019 -2.2422
|
|
Ag 2.22770 -1.13331 -7.08296 -0.0043 -0.0043 -0.0043 -1.8173
|
|
Ag 1.24228 3.77038 -4.05596 0.0019 0.0019 0.0019 -2.4640
|
|
Ag 2.39179 0.96782 8.77856 -0.0000 -0.0000 -0.0000 -2.1653
|
|
Ag -0.18391 -3.10367 4.12203 -0.0087 -0.0087 -0.0087 -2.5222
|
|
Ag -1.41833 4.11539 -3.08084 -0.0013 -0.0013 -0.0013 -2.5215
|
|
Ag -2.57367 -2.69709 -2.34001 -0.0037 -0.0037 -0.0037 -2.5109
|
|
Ag -6.16854 -2.47885 -4.11809 -0.0021 -0.0021 -0.0021 -2.2476
|
|
Ag 4.00791 2.01713 6.88567 -0.0025 -0.0025 -0.0025 -2.4702
|
|
Ag -1.08535 3.38499 -5.71096 -0.0009 -0.0009 -0.0009 -2.3150
|
|
Ag 1.31903 -5.68516 -1.42544 0.0077 0.0077 0.0077 -1.8432
|
|
Ag -7.99602 -0.86734 -5.22086 -0.0033 -0.0033 -0.0033 -2.0731
|
|
Ag 3.68067 3.28028 4.51002 -0.0043 -0.0043 -0.0043 -2.2436
|
|
Ag 1.03645 -5.34650 -3.76772 0.0009 0.0009 0.0009 -2.0298
|
|
Ag 0.94327 -1.93174 6.53330 -0.0010 -0.0010 -0.0010 -2.3728
|
|
Ag -3.89647 1.94585 0.01339 -0.0014 -0.0014 -0.0014 -2.7202
|
|
Ag -1.85310 0.52953 1.25393 0.0002 0.0002 0.0002 -2.7197
|
|
Ag -5.28585 0.46076 -3.16673 -0.0042 -0.0042 -0.0042 -2.6365
|
|
Ag 1.56632 0.62884 5.38204 -0.0037 -0.0037 -0.0037 -2.6235
|
|
Ag 5.63982 3.70209 0.12352 0.0057 0.0057 0.0057 -1.8685
|
|
Ag 3.43365 -0.08904 1.37473 0.0012 0.0012 0.0012 -2.8439
|
|
Ag 3.29858 2.05071 -3.73943 0.0012 0.0012 0.0012 -2.1589
|
|
Ag -5.11278 4.14278 0.72213 0.0083 0.0083 0.0083 -2.1137
|
|
Ag -4.16914 0.56009 2.45254 0.0012 0.0012 0.0012 -2.2429
|
|
Ag -0.98449 -0.48917 5.28895 -0.0025 -0.0025 -0.0025 -2.2854
|
|
Ag 2.42691 -1.59524 4.02767 -0.0033 -0.0033 -0.0033 -2.8118
|
|
Ag 0.47219 -1.68660 -5.34021 0.0094 0.0094 0.0094 -2.3926
|
|
Ag 2.04611 1.89749 2.83959 -0.0004 -0.0004 -0.0004 -2.6738
|
|
Ag 0.54619 4.01839 -1.05987 -0.0045 -0.0045 -0.0045 -2.3832
|
|
Ag -2.91825 -0.08737 -1.81314 0.0002 0.0002 0.0002 -2.8051
|
|
Ag 3.66777 -0.86252 10.17344 -0.0006 -0.0006 -0.0006 -1.8423
|
|
Ag 3.44665 -0.94322 7.06243 -0.0011 -0.0011 -0.0011 -2.6274
|
|
Ag 2.20885 -4.05573 2.89873 -0.0016 -0.0016 -0.0016 -2.3445
|
|
Ag -5.37101 -0.71496 -5.90644 0.0078 0.0078 0.0078 -2.1819
|
|
Ag -1.07457 2.18395 -0.67935 0.0009 0.0009 0.0009 -2.6900
|
|
Ag -3.00124 -1.33494 -4.79489 0.0008 0.0008 0.0008 -2.4314
|
|
Ag -7.64163 -1.31149 -2.12476 0.0041 0.0041 0.0041 -2.2415
|
|
Ag 4.08279 0.50900 4.33616 0.0034 0.0034 0.0034 -2.7344
|
|
Ag 1.29959 -2.85866 -2.09458 0.0006 0.0006 0.0006 -2.6303
|
|
Ag 5.07762 -1.90643 5.35157 0.0008 0.0008 0.0008 -2.2406
|
|
Ag -0.70945 0.74000 -6.08210 -0.0072 -0.0072 -0.0072 -2.4260
|
|
Ag 3.23626 0.09644 -1.42668 0.0016 0.0016 0.0016 -2.6215
|
|
Ag 0.75966 -4.63796 -6.46266 0.0030 0.0030 0.0030 -1.6582
|
|
Ag 0.10438 3.18803 1.56469 0.0038 0.0038 0.0038 -2.4820
|
|
Ag -2.60155 4.38493 -0.64921 0.0030 0.0030 0.0030 -2.4684
|
|
Ag -8.37686 0.86294 -3.18033 0.0046 0.0046 0.0046 -2.0477
|
|
Ag -6.28035 2.79609 -2.05926 -0.0001 -0.0001 -0.0001 -2.3523
|
|
Ag 4.27919 -2.64986 1.97164 -0.0002 -0.0002 -0.0002 -2.3999
|
|
Ag 3.23263 -1.47561 -3.69776 0.0012 0.0012 0.0012 -2.2906
|
|
Ag -4.54118 4.45942 -3.78247 0.0063 0.0063 0.0063 -1.9055
|
|
Ag -3.09625 -1.81063 0.42988 0.0052 0.0052 0.0052 -2.5083
|
|
Ag -0.45158 -3.34342 1.54794 -0.0003 -0.0003 -0.0003 -2.3880
|
|
Ag 3.59522 -3.20980 -1.20371 -0.0033 -0.0033 -0.0033 -2.1255
|
|
Ag 0.95674 0.76759 0.51107 0.0040 0.0040 0.0040 -2.8322
|