103 lines
10 KiB
Plaintext
103 lines
10 KiB
Plaintext
100
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 5.10088 5.03612 -1.74278 0.0026 0.0026 0.0026 -2.1370
|
|
Ag 5.50325 -3.33992 -0.81370 0.0019 0.0019 0.0019 -2.4061
|
|
Ag 0.18693 -6.51235 -2.56104 0.0024 0.0024 0.0024 -2.3631
|
|
Ag 8.97719 2.39106 1.13190 0.0022 0.0022 0.0022 -1.5586
|
|
Ag 4.19728 -6.32304 -3.84252 -0.0073 -0.0073 -0.0073 -1.9081
|
|
Ag -1.08171 -0.34925 1.05594 -0.0015 -0.0015 -0.0015 -2.7283
|
|
Ag -1.72029 0.72281 -2.12321 0.0037 0.0037 0.0037 -2.7907
|
|
Ag -3.83356 -6.40653 -1.71647 -0.0065 -0.0065 -0.0065 -2.1006
|
|
Ag -2.66859 -6.75276 1.01926 -0.0052 -0.0052 -0.0052 -2.1390
|
|
Ag 5.52438 -1.95787 1.59554 0.0003 0.0003 0.0003 -2.3320
|
|
Ag 2.55582 3.29300 1.79819 -0.0003 -0.0003 -0.0003 -2.6409
|
|
Ag -4.25945 -2.29738 -1.55829 -0.0026 -0.0026 -0.0026 -2.5175
|
|
Ag 7.32907 -0.30957 0.57110 -0.0042 -0.0042 -0.0042 -2.3332
|
|
Ag -6.52663 3.76646 2.89682 -0.0036 -0.0036 -0.0036 -2.0933
|
|
Ag 6.54282 1.11207 3.26946 -0.0017 -0.0017 -0.0017 -2.1176
|
|
Ag -2.61131 -5.18843 -3.92651 -0.0034 -0.0034 -0.0034 -2.0746
|
|
Ag 2.78773 6.58953 -1.87644 0.0053 0.0053 0.0053 -2.3111
|
|
Ag -2.60452 0.56629 -4.90290 0.0002 0.0002 0.0002 -2.2087
|
|
Ag 4.01618 5.29123 0.76904 -0.0027 -0.0027 -0.0027 -2.4964
|
|
Ag -0.02101 2.23208 -3.80860 0.0006 0.0006 0.0006 -2.6370
|
|
Ag 0.60360 -1.33633 -2.06023 0.0022 0.0022 0.0022 -2.7009
|
|
Ag 2.11238 7.17689 0.61577 -0.0093 -0.0093 -0.0093 -2.0602
|
|
Ag -6.87944 3.94611 -1.02953 0.0000 0.0000 0.0000 -1.7767
|
|
Ag -3.97523 3.56572 2.01729 0.0053 0.0053 0.0053 -2.4971
|
|
Ag 1.16784 -2.11048 0.73599 0.0019 0.0019 0.0019 -2.6635
|
|
Ag 0.57613 -6.16995 -0.06616 -0.0011 -0.0011 -0.0011 -2.2297
|
|
Ag -5.14521 5.81498 1.40912 -0.0009 -0.0009 -0.0009 -2.1512
|
|
Ag -4.91513 -3.43140 2.79346 0.0022 0.0022 0.0022 -2.2052
|
|
Ag -0.44922 1.87254 5.47145 -0.0007 -0.0007 -0.0007 -2.4622
|
|
Ag 0.71202 3.75717 4.09854 -0.0014 -0.0014 -0.0014 -2.4649
|
|
Ag 3.81311 2.72070 -0.69785 -0.0003 -0.0003 -0.0003 -2.8066
|
|
Ag -2.33256 2.40908 0.05138 0.0050 0.0050 0.0050 -2.6589
|
|
Ag -3.29625 6.83545 -0.16508 -0.0038 -0.0038 -0.0038 -2.0339
|
|
Ag -2.28039 -7.60091 -3.67455 -0.0001 -0.0001 -0.0001 -2.0633
|
|
Ag -2.51113 -4.02619 3.74072 0.0015 0.0015 0.0015 -2.2079
|
|
Ag -3.54331 0.35242 2.53765 0.0019 0.0019 0.0019 -2.8071
|
|
Ag 5.44187 0.55519 -1.02763 -0.0035 -0.0035 -0.0035 -2.5139
|
|
Ag -3.70107 0.17761 -0.34146 0.0021 0.0021 0.0021 -2.6674
|
|
Ag -2.05637 0.66603 7.25576 -0.0034 -0.0034 -0.0034 -2.1949
|
|
Ag -0.16522 -0.85401 6.17529 -0.0018 -0.0018 -0.0018 -1.9587
|
|
Ag 5.68215 0.56301 -5.20658 0.0027 0.0027 0.0027 -2.0538
|
|
Ag 5.99650 -2.25879 -5.30273 -0.0024 -0.0024 -0.0024 -2.0312
|
|
Ag -0.78987 4.05702 -5.61509 -0.0014 -0.0014 -0.0014 -1.9744
|
|
Ag -3.53550 1.82187 4.92087 -0.0012 -0.0012 -0.0012 -2.4936
|
|
Ag -1.88912 3.55695 -2.39339 0.0061 0.0061 0.0061 -2.5740
|
|
Ag -3.51682 -2.22054 1.06825 -0.0018 -0.0018 -0.0018 -2.5028
|
|
Ag 0.85265 6.26314 7.16266 0.0001 0.0001 0.0001 -1.4193
|
|
Ag -4.79982 -3.39920 5.29240 -0.0022 -0.0022 -0.0022 -2.1143
|
|
Ag -4.50876 -0.69811 5.64519 -0.0023 -0.0023 -0.0023 -2.4626
|
|
Ag 1.75633 -5.39613 -4.29620 0.0064 0.0064 0.0064 -2.2465
|
|
Ag 3.21850 4.11271 -3.05478 0.0047 0.0047 0.0047 -2.3601
|
|
Ag 2.08248 0.71139 -2.83840 -0.0011 -0.0011 -0.0011 -2.7089
|
|
Ag -2.09901 6.02980 2.26824 -0.0020 -0.0020 -0.0020 -2.2839
|
|
Ag 1.99113 1.15414 3.36157 0.0034 0.0034 0.0034 -2.3631
|
|
Ag -6.37378 1.27101 4.36860 0.0010 0.0010 0.0010 -2.2362
|
|
Ag -1.79121 -5.27483 -1.22504 0.0024 0.0024 0.0024 -2.3586
|
|
Ag 4.19842 -3.62200 -4.43832 -0.0038 -0.0038 -0.0038 -2.3227
|
|
Ag 0.47099 5.07373 -3.20048 0.0015 0.0015 0.0015 -2.4127
|
|
Ag 0.85643 -0.93959 3.78860 0.0007 0.0007 0.0007 -2.4660
|
|
Ag 1.82649 5.58183 2.65252 -0.0003 -0.0003 -0.0003 -2.2594
|
|
Ag -4.44905 0.19632 -3.02342 -0.0019 -0.0019 -0.0019 -2.3720
|
|
Ag 2.94592 -3.08813 -2.10899 0.0050 0.0050 0.0050 -2.6599
|
|
Ag -5.99751 -1.10757 3.29600 0.0048 0.0048 0.0048 -2.4235
|
|
Ag 1.41748 4.27719 -0.98917 -0.0019 -0.0019 -0.0019 -2.5926
|
|
Ag -1.68802 -8.05500 -1.16685 0.0017 0.0017 0.0017 -2.3198
|
|
Ag 2.85211 -4.09069 0.71391 -0.0020 -0.0020 -0.0020 -2.2320
|
|
Ag -0.90487 -2.79037 2.27570 -0.0065 -0.0065 -0.0065 -2.4819
|
|
Ag 4.07872 -1.05632 -3.60746 -0.0017 -0.0017 -0.0017 -2.7928
|
|
Ag 0.57574 1.91290 -6.30388 0.0043 0.0043 0.0043 -2.0978
|
|
Ag -0.88400 5.86407 -0.80665 0.0015 0.0015 0.0015 -2.3663
|
|
Ag -5.81052 -0.97999 0.55880 0.0023 0.0023 0.0023 -2.4366
|
|
Ag 3.62389 -1.36927 -0.20357 -0.0055 -0.0055 -0.0055 -2.7068
|
|
Ag -0.36035 1.75080 2.33535 0.0014 0.0014 0.0014 -2.6366
|
|
Ag 3.88586 -0.78101 3.60996 0.0024 0.0024 0.0024 -2.2067
|
|
Ag 0.25166 2.06404 -1.00408 0.0001 0.0001 0.0001 -2.6371
|
|
Ag 4.88702 3.43525 2.97909 -0.0014 -0.0014 -0.0014 -2.2406
|
|
Ag -0.22684 6.34905 4.88163 -0.0059 -0.0059 -0.0059 -1.9194
|
|
Ag 3.59886 -5.39678 -1.13748 -0.0027 -0.0027 -0.0027 -2.1093
|
|
Ag 3.63071 -1.87615 -6.56677 -0.0009 -0.0009 -0.0009 -2.2142
|
|
Ag 4.12410 0.81419 1.47010 -0.0001 -0.0001 -0.0001 -2.7416
|
|
Ag -3.93991 -4.53126 0.33709 0.0049 0.0049 0.0049 -2.3652
|
|
Ag -2.03894 3.42211 3.48826 -0.0032 -0.0032 -0.0032 -2.4239
|
|
Ag 1.67884 0.58301 0.58962 -0.0057 -0.0057 -0.0057 -2.6951
|
|
Ag 0.66439 -3.09162 5.66969 0.0016 0.0016 0.0016 -2.0421
|
|
Ag 1.67233 -2.39556 -4.46740 -0.0004 -0.0004 -0.0004 -2.6759
|
|
Ag -2.22404 -2.48775 6.55341 -0.0018 -0.0018 -0.0018 -2.2967
|
|
Ag 6.29998 2.52086 0.89846 0.0070 0.0070 0.0070 -2.5184
|
|
Ag -6.00871 1.41980 -1.13359 -0.0011 -0.0011 -0.0011 -2.3761
|
|
Ag 4.67146 1.77752 -3.25159 -0.0011 -0.0011 -0.0011 -2.3682
|
|
Ag -5.95553 1.46102 1.69883 0.0014 0.0014 0.0014 -2.5602
|
|
Ag -1.89219 -0.56454 4.62362 0.0037 0.0037 0.0037 -2.5091
|
|
Ag -1.48362 -2.39198 -0.70669 -0.0056 -0.0056 -0.0056 -2.7321
|
|
Ag -4.50524 3.87179 -1.10490 -0.0046 -0.0046 -0.0046 -2.2539
|
|
Ag 2.28476 0.08468 -5.55003 0.0036 0.0036 0.0036 -2.4282
|
|
Ag 6.93249 -1.33638 -1.91645 -0.0016 -0.0016 -0.0016 -2.1461
|
|
Ag 1.41927 -3.92668 2.97062 0.0040 0.0040 0.0040 -2.2071
|
|
Ag -0.59001 3.98344 0.93903 -0.0016 -0.0016 -0.0016 -2.5997
|
|
Ag -0.23815 -0.46079 -4.59796 0.0033 0.0033 0.0033 -2.5603
|
|
Ag 0.36366 -3.89785 -2.34226 -0.0031 -0.0031 -0.0031 -2.6051
|
|
Ag -2.22930 -1.75242 -3.30110 -0.0074 -0.0074 -0.0074 -2.5556
|