87 lines
8.4 KiB
Plaintext
87 lines
8.4 KiB
Plaintext
84
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 0.61464 2.85452 6.98015 -0.0026 -0.0026 -0.0026 -2.1357
|
|
Ag -0.12436 -5.30666 -4.48540 0.0057 0.0057 0.0057 -2.0742
|
|
Ag -0.09856 3.45436 2.67718 0.0057 0.0057 0.0057 -2.7086
|
|
Ag 0.18743 5.37470 -0.69301 -0.0055 -0.0055 -0.0055 -2.4536
|
|
Ag 3.42086 -0.85094 -5.14968 -0.0006 -0.0006 -0.0006 -2.0351
|
|
Ag 3.89705 3.59184 3.36486 0.0012 0.0012 0.0012 -2.5115
|
|
Ag -1.50184 3.70369 5.38732 -0.0014 -0.0014 -0.0014 -2.2668
|
|
Ag -1.93663 -5.15509 -2.14090 -0.0035 -0.0035 -0.0035 -2.4777
|
|
Ag 1.06960 -4.01793 -0.40008 0.0015 0.0015 0.0015 -2.5314
|
|
Ag 3.68472 1.01151 -2.59438 -0.0010 -0.0010 -0.0010 -2.4653
|
|
Ag 3.63362 -3.94389 -1.39934 0.0024 0.0024 0.0024 -2.2432
|
|
Ag 7.28515 0.51121 2.43699 -0.0028 -0.0028 -0.0028 -2.1651
|
|
Ag 5.32405 -1.16095 4.12488 0.0018 0.0018 0.0018 -2.0860
|
|
Ag -5.17222 3.71317 -1.99151 0.0000 0.0000 0.0000 -1.9297
|
|
Ag -2.33799 2.07844 1.65479 -0.0040 -0.0040 -0.0040 -2.5891
|
|
Ag 6.13919 2.79528 1.92758 0.0001 0.0001 0.0001 -2.2171
|
|
Ag 2.95891 6.14022 3.14215 0.0053 0.0053 0.0053 -2.1736
|
|
Ag -4.36688 -4.56140 -1.24237 -0.0060 -0.0060 -0.0060 -2.4805
|
|
Ag 2.65059 -2.14944 4.60038 -0.0021 -0.0021 -0.0021 -2.3446
|
|
Ag 5.23721 -0.40177 -0.87745 0.0033 0.0033 0.0033 -2.4321
|
|
Ag 2.00959 3.80418 0.67206 -0.0002 -0.0002 -0.0002 -2.6868
|
|
Ag -0.42511 -2.67370 -2.05510 -0.0043 -0.0043 -0.0043 -2.6055
|
|
Ag 3.09095 5.90921 -0.76481 -0.0011 -0.0011 -0.0011 -1.9828
|
|
Ag -0.73151 1.73858 -3.83409 0.0002 0.0002 0.0002 -2.4963
|
|
Ag -3.24459 -1.25992 -5.22766 0.0016 0.0016 0.0016 -2.3864
|
|
Ag 2.30923 -1.41251 -1.46410 -0.0028 -0.0028 -0.0028 -2.8856
|
|
Ag 1.44753 0.26830 -3.92551 -0.0001 -0.0001 -0.0001 -2.5602
|
|
Ag -2.79776 -2.50788 0.06310 -0.0021 -0.0021 -0.0021 -2.6314
|
|
Ag -2.74721 -0.77852 4.69495 -0.0043 -0.0043 -0.0043 -2.2556
|
|
Ag 3.16576 -4.46795 1.69932 -0.0005 -0.0005 -0.0005 -2.2370
|
|
Ag 1.57219 4.89500 5.21779 -0.0005 -0.0005 -0.0005 -2.1835
|
|
Ag -2.28912 4.62434 0.51433 0.0024 0.0024 0.0024 -2.3833
|
|
Ag -3.39754 2.07132 4.37198 -0.0010 -0.0010 -0.0010 -2.3052
|
|
Ag 2.67567 0.57982 3.95993 0.0044 0.0044 0.0044 -2.5721
|
|
Ag 2.50714 -1.23439 1.99675 0.0058 0.0058 0.0058 -2.7563
|
|
Ag -0.22495 0.04255 -1.74634 -0.0011 -0.0011 -0.0011 -2.6914
|
|
Ag -3.76841 -5.02592 1.59943 -0.0057 -0.0057 -0.0057 -2.2604
|
|
Ag 1.87441 0.62409 6.45399 0.0007 0.0007 0.0007 -2.2489
|
|
Ag 4.44190 0.66686 1.48357 0.0049 0.0049 0.0049 -2.6302
|
|
Ag -4.57664 1.92011 -7.28233 0.0033 0.0033 0.0033 -1.6928
|
|
Ag 6.95428 1.60370 -0.11772 -0.0025 -0.0025 -0.0025 -2.1498
|
|
Ag -0.32421 2.78229 -0.02641 0.0067 0.0067 0.0067 -2.6909
|
|
Ag -0.80577 1.27610 4.38971 0.0011 0.0011 0.0011 -2.5694
|
|
Ag 4.65566 3.23161 -0.01033 0.0011 0.0011 0.0011 -2.4041
|
|
Ag -5.48628 0.85942 -2.42553 0.0010 0.0010 0.0010 -2.3074
|
|
Ag 1.53515 3.03315 -4.74097 0.0053 0.0053 0.0053 -2.1760
|
|
Ag 2.16358 1.01469 -0.19182 0.0001 0.0001 0.0001 -2.7526
|
|
Ag -2.21089 0.79411 -6.54311 -0.0031 -0.0031 -0.0031 -2.0810
|
|
Ag -4.44845 -3.70213 -3.89000 0.0003 0.0003 0.0003 -2.4334
|
|
Ag 4.29352 -2.54605 0.43952 -0.0027 -0.0027 -0.0027 -2.2256
|
|
Ag 5.22602 5.41700 2.08382 -0.0018 -0.0018 -0.0018 -2.0959
|
|
Ag -5.98108 -5.81341 -4.39896 -0.0013 -0.0013 -0.0013 -1.5413
|
|
Ag -1.23551 -5.28049 3.59324 -0.0036 -0.0036 -0.0036 -2.1786
|
|
Ag 4.70730 0.92356 6.67864 0.0015 0.0015 0.0015 -2.0161
|
|
Ag 1.30354 2.64650 -2.20080 -0.0046 -0.0046 -0.0046 -2.6768
|
|
Ag 0.89101 -3.51265 2.81933 0.0022 0.0022 0.0022 -2.6684
|
|
Ag 1.21221 5.20050 -3.20569 -0.0025 -0.0025 -0.0025 -2.1260
|
|
Ag -2.56556 3.25907 -2.05191 -0.0027 -0.0027 -0.0027 -2.4299
|
|
Ag -5.58320 -3.19678 0.88309 0.0031 0.0031 0.0031 -2.1643
|
|
Ag 0.29978 6.09505 2.03678 -0.0005 -0.0005 -0.0005 -2.1981
|
|
Ag -1.14961 -3.00433 5.12549 0.0012 0.0012 0.0012 -2.2179
|
|
Ag -3.27275 1.69123 -3.98620 0.0029 0.0029 0.0029 -2.5528
|
|
Ag -5.60275 2.85182 -4.84304 -0.0014 -0.0014 -0.0014 -1.9949
|
|
Ag -6.64343 -3.45574 -2.33401 0.0044 0.0044 0.0044 -2.1349
|
|
Ag -2.63840 4.50330 3.21679 0.0016 0.0016 0.0016 -2.2865
|
|
Ag -5.57306 -1.34881 -3.81877 -0.0062 -0.0062 -0.0062 -2.3101
|
|
Ag 0.74359 -5.94890 -1.99196 -0.0014 -0.0014 -0.0014 -2.2244
|
|
Ag 0.42744 0.89356 1.88801 -0.0064 -0.0064 -0.0064 -2.7054
|
|
Ag -2.25532 -3.06217 2.63214 -0.0042 -0.0042 -0.0042 -2.5578
|
|
Ag -4.70330 1.26208 1.33626 0.0050 0.0050 0.0050 -1.9959
|
|
Ag -2.96227 -1.03365 -2.53531 0.0050 0.0050 0.0050 -2.7051
|
|
Ag -1.65976 -3.12249 -4.11844 0.0037 0.0037 0.0037 -2.3756
|
|
Ag -2.69903 -0.58856 1.82675 0.0020 0.0020 0.0020 -2.5186
|
|
Ag -0.31252 -1.70242 0.46522 -0.0029 -0.0029 -0.0029 -2.7323
|
|
Ag -4.92584 -1.11762 -0.59904 -0.0033 -0.0033 -0.0033 -2.4319
|
|
Ag 0.26265 -0.99348 3.82205 0.0005 0.0005 0.0005 -2.6413
|
|
Ag 3.32048 3.07231 6.07280 0.0015 0.0015 0.0015 -2.3319
|
|
Ag 1.87836 -3.12732 -3.72652 0.0077 0.0077 0.0077 -2.5649
|
|
Ag 1.03942 -6.20823 1.01070 -0.0006 -0.0006 -0.0006 -2.1811
|
|
Ag -1.32356 -4.83181 0.66066 -0.0001 -0.0001 -0.0001 -2.6432
|
|
Ag -1.76364 4.05958 -4.52719 -0.0013 -0.0013 -0.0013 -2.0963
|
|
Ag 4.33664 -2.20015 -3.18240 -0.0078 -0.0078 -0.0078 -2.3007
|
|
Ag 0.01179 -1.71340 -5.39948 -0.0031 -0.0031 -0.0031 -2.2148
|
|
Ag 5.03588 1.20365 3.76334 -0.0001 -0.0001 -0.0001 -2.0367
|