103 lines
10 KiB
Plaintext
103 lines
10 KiB
Plaintext
100
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -2.43853 -2.63647 0.57155 0.0057 0.0057 0.0057 -2.6677
|
|
Ag 5.27017 -0.52961 2.85867 0.0038 0.0038 0.0038 -2.3250
|
|
Ag 3.28827 -5.73870 -1.11179 -0.0036 -0.0036 -0.0036 -2.2636
|
|
Ag -5.49188 1.12841 0.04688 -0.0050 -0.0050 -0.0050 -2.6207
|
|
Ag 7.24009 1.81268 1.44079 -0.0023 -0.0023 -0.0023 -2.3049
|
|
Ag 3.22468 -3.25379 -2.35139 -0.0055 -0.0055 -0.0055 -2.5087
|
|
Ag -6.02041 1.99638 4.62428 -0.0019 -0.0019 -0.0019 -2.0707
|
|
Ag -0.85518 -5.11067 -4.68025 0.0003 0.0003 0.0003 -2.3901
|
|
Ag 2.19959 5.97497 3.25064 -0.0003 -0.0003 -0.0003 -2.4183
|
|
Ag 2.05701 -0.25988 -6.47306 -0.0060 -0.0060 -0.0060 -2.1359
|
|
Ag 2.62830 2.09638 0.24174 0.0020 0.0020 0.0020 -2.7498
|
|
Ag -2.78790 2.50760 1.16992 -0.0024 -0.0024 -0.0024 -2.6902
|
|
Ag 2.73290 -2.77614 2.11239 -0.0028 -0.0028 -0.0028 -2.4996
|
|
Ag 3.04888 -1.02889 -3.94044 0.0043 0.0043 0.0043 -2.6595
|
|
Ag -2.14270 -0.43141 6.77575 0.0031 0.0031 0.0031 -2.0956
|
|
Ag -2.90374 0.04710 -0.53528 -0.0014 -0.0014 -0.0014 -2.4993
|
|
Ag 1.66989 0.40796 -2.19482 0.0028 0.0028 0.0028 -2.6925
|
|
Ag 2.53571 4.99515 0.68765 -0.0034 -0.0034 -0.0034 -2.6148
|
|
Ag -6.21571 -0.90967 2.90081 0.0001 0.0001 0.0001 -2.5101
|
|
Ag 2.86400 4.59727 -4.47214 0.0052 0.0052 0.0052 -2.2034
|
|
Ag -4.71974 -1.24296 0.70805 -0.0020 -0.0020 -0.0020 -2.4713
|
|
Ag 0.10333 6.14263 -0.30492 0.0062 0.0062 0.0062 -2.5442
|
|
Ag 1.00042 1.86817 5.80257 0.0055 0.0055 0.0055 -2.2655
|
|
Ag 5.64727 2.47451 -4.32587 -0.0044 -0.0044 -0.0044 -2.2103
|
|
Ag -5.04182 -2.24913 -4.37777 -0.0084 -0.0084 -0.0084 -2.3313
|
|
Ag 2.29935 3.15424 2.78374 -0.0031 -0.0031 -0.0031 -2.4495
|
|
Ag -0.73478 7.14869 2.03293 0.0007 0.0007 0.0007 -2.1798
|
|
Ag 6.41069 2.44214 -1.57883 -0.0035 -0.0035 -0.0035 -2.4855
|
|
Ag -6.78124 -3.43416 -2.45764 -0.0003 -0.0003 -0.0003 -2.1079
|
|
Ag 0.51208 -0.52304 6.20505 -0.0022 -0.0022 -0.0022 -2.2573
|
|
Ag 0.04630 -1.31699 2.17618 -0.0038 -0.0038 -0.0038 -2.7017
|
|
Ag 0.96188 -5.13731 -6.54613 -0.0024 -0.0024 -0.0024 -1.9155
|
|
Ag 2.27268 8.45038 4.29088 -0.0015 -0.0015 -0.0015 -1.5864
|
|
Ag 0.19638 -3.72561 2.95025 0.0008 0.0008 0.0008 -2.2283
|
|
Ag -1.07594 -5.76901 0.78408 -0.0019 -0.0019 -0.0019 -2.4686
|
|
Ag 2.26652 5.85706 -1.93230 0.0046 0.0046 0.0046 -2.2740
|
|
Ag 7.41893 -0.91964 1.35922 0.0050 0.0050 0.0050 -2.2018
|
|
Ag -1.28002 -2.41236 4.66171 0.0013 0.0013 0.0013 -2.4919
|
|
Ag 1.66420 -2.50170 4.45734 0.0073 0.0073 0.0073 -2.2282
|
|
Ag -2.04001 -4.22943 -2.21381 0.0018 0.0018 0.0018 -2.7137
|
|
Ag 1.76138 0.25503 3.82794 0.0034 0.0034 0.0034 -2.6014
|
|
Ag -3.61443 -1.78011 2.84209 -0.0056 -0.0056 -0.0056 -2.4202
|
|
Ag 4.62201 0.83054 -2.38822 -0.0006 -0.0006 -0.0006 -2.6298
|
|
Ag 5.73395 -1.79615 -2.06798 0.0017 0.0017 0.0017 -2.4264
|
|
Ag -4.22351 1.01210 2.95539 0.0027 0.0027 0.0027 -2.6401
|
|
Ag 7.47208 -0.07181 -1.25933 -0.0059 -0.0059 -0.0059 -2.2311
|
|
Ag 5.17265 -4.96163 -2.63443 0.0002 0.0002 0.0002 -2.0315
|
|
Ag 3.86887 3.35708 -2.48581 0.0033 0.0033 0.0033 -2.4894
|
|
Ag -4.30494 -2.96429 -1.73674 0.0062 0.0062 0.0062 -2.6934
|
|
Ag -5.07955 -3.21185 4.28702 -0.0018 -0.0018 -0.0018 -2.1972
|
|
Ag -0.37959 3.79578 4.64336 0.0018 0.0018 0.0018 -2.4425
|
|
Ag 1.25366 3.09738 -2.41975 0.0062 0.0062 0.0062 -2.6565
|
|
Ag 0.70337 -5.27709 -1.96100 0.0010 0.0010 0.0010 -2.4627
|
|
Ag -1.42307 0.52546 3.93951 -0.0053 -0.0053 -0.0053 -2.6749
|
|
Ag 1.98778 4.47358 5.50164 0.0002 0.0002 0.0002 -2.0829
|
|
Ag 0.27039 2.02127 2.30431 -0.0000 -0.0000 -0.0000 -2.5182
|
|
Ag -3.77613 -4.95132 0.01197 -0.0019 -0.0019 -0.0019 -2.5859
|
|
Ag -3.74117 2.73114 -1.49364 -0.0015 -0.0015 -0.0015 -2.5020
|
|
Ag 0.32126 -7.64701 -0.79709 0.0052 0.0052 0.0052 -1.9528
|
|
Ag -4.35608 1.62481 -3.55767 0.0018 0.0018 0.0018 -1.9857
|
|
Ag -4.95618 -0.56336 5.08418 0.0000 0.0000 0.0000 -2.3131
|
|
Ag -5.66969 3.20462 2.08578 0.0027 0.0027 0.0027 -2.3631
|
|
Ag -7.54158 -0.58750 0.11038 -0.0036 -0.0036 -0.0036 -2.2177
|
|
Ag 4.71638 2.03267 2.55146 0.0035 0.0035 0.0035 -2.4454
|
|
Ag -3.53999 -4.50581 -4.47029 -0.0076 -0.0076 -0.0076 -2.2852
|
|
Ag -0.07761 -0.06336 -4.64839 0.0003 0.0003 0.0003 -2.4904
|
|
Ag 0.94215 -2.29060 -5.38335 0.0058 0.0058 0.0058 -2.3151
|
|
Ag -2.47217 -6.81255 -1.70690 -0.0044 -0.0044 -0.0044 -2.2867
|
|
Ag -3.74185 3.86247 -4.18551 -0.0020 -0.0020 -0.0020 -1.7804
|
|
Ag -0.24663 -3.73075 -0.42519 -0.0064 -0.0064 -0.0064 -2.3357
|
|
Ag 3.22817 -3.38987 -5.62334 0.0019 0.0019 0.0019 -2.2042
|
|
Ag -1.91332 -2.57965 -4.61823 -0.0045 -0.0045 -0.0045 -2.4696
|
|
Ag 2.50759 1.64858 -4.65820 0.0089 0.0089 0.0089 -2.5984
|
|
Ag -4.79898 5.11553 0.61421 -0.0018 -0.0018 -0.0018 -2.0401
|
|
Ag -5.77521 -3.90803 1.48969 -0.0054 -0.0054 -0.0054 -2.2333
|
|
Ag -5.94220 -0.74664 -2.08583 -0.0091 -0.0091 -0.0091 -2.5496
|
|
Ag 5.22099 0.61732 0.22576 0.0027 0.0027 0.0027 -2.7911
|
|
Ag 0.14190 4.71799 2.09080 0.0015 0.0015 0.0015 -2.6535
|
|
Ag 1.81066 -1.91943 -0.71838 0.0014 0.0014 0.0014 -2.6192
|
|
Ag -7.73245 1.19332 2.16932 -0.0017 -0.0017 -0.0017 -2.1964
|
|
Ag 0.39210 3.34431 -4.85303 0.0032 0.0032 0.0032 -2.2608
|
|
Ag 1.96251 -5.14682 1.04289 -0.0001 -0.0001 -0.0001 -2.4311
|
|
Ag 2.81738 -0.27009 1.48204 -0.0018 -0.0018 -0.0018 -2.6629
|
|
Ag -2.42983 4.83436 -0.37925 -0.0039 -0.0039 -0.0039 -2.5159
|
|
Ag 4.76960 -2.36378 0.36469 0.0007 0.0007 0.0007 -2.4721
|
|
Ag -4.93263 -5.63653 -2.56109 -0.0017 -0.0017 -0.0017 -2.2998
|
|
Ag -0.55973 2.87289 -0.36741 -0.0061 -0.0061 -0.0061 -2.7305
|
|
Ag -0.82016 4.81644 -2.62329 -0.0029 -0.0029 -0.0029 -2.4667
|
|
Ag -3.00397 -0.52626 -2.91797 -0.0037 -0.0037 -0.0037 -2.4427
|
|
Ag 0.37185 -2.74692 -3.02378 0.0016 0.0016 0.0016 -2.6801
|
|
Ag 2.64170 -5.20802 -3.80018 0.0007 0.0007 0.0007 -2.3790
|
|
Ag -1.28344 1.92363 -2.59844 0.0042 0.0042 0.0042 -2.7025
|
|
Ag -2.91564 -4.22590 2.73543 -0.0028 -0.0028 -0.0028 -2.4565
|
|
Ag -2.59948 4.74967 2.56761 -0.0030 -0.0030 -0.0030 -2.3540
|
|
Ag -0.06368 0.05128 -0.17791 -0.0031 -0.0031 -0.0031 -2.6198
|
|
Ag 5.51676 3.96407 0.86449 -0.0036 -0.0036 -0.0036 -2.1317
|
|
Ag 7.08332 0.35425 -3.57133 0.0004 0.0004 0.0004 -2.0922
|
|
Ag 1.81917 7.80505 1.41266 0.0002 0.0002 0.0002 -2.2137
|
|
Ag -1.70951 2.02524 6.36889 -0.0032 -0.0032 -0.0032 -2.1380
|
|
Ag 1.82451 -5.60020 3.56843 -0.0035 -0.0035 -0.0035 -1.9342
|