92 lines
8.9 KiB
Plaintext
92 lines
8.9 KiB
Plaintext
89
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -4.63946 4.22401 2.90309 -0.0044 -0.0044 -0.0044 -2.4376
|
|
Ag 0.73516 4.87897 5.54029 -0.0066 -0.0066 -0.0066 -2.1875
|
|
Ag -3.27942 -3.08251 3.77996 -0.0018 -0.0018 -0.0018 -2.4105
|
|
Ag -3.47506 -2.69255 1.02901 -0.0039 -0.0039 -0.0039 -2.5897
|
|
Ag 2.81916 -1.92634 -3.10599 -0.0011 -0.0011 -0.0011 -2.6538
|
|
Ag 6.99794 -1.29928 3.76622 0.0019 0.0019 0.0019 -2.0146
|
|
Ag 2.97105 -2.67625 -0.36982 0.0072 0.0072 0.0072 -2.5790
|
|
Ag -3.39011 -1.65093 -2.30686 0.0060 0.0060 0.0060 -2.7805
|
|
Ag 6.18487 1.21341 3.54282 -0.0018 -0.0018 -0.0018 -2.3804
|
|
Ag -2.82385 -6.69522 -0.45302 -0.0038 -0.0038 -0.0038 -2.1543
|
|
Ag -0.80467 6.88990 -0.32090 -0.0041 -0.0041 -0.0041 -1.9818
|
|
Ag -1.23747 3.43884 4.68651 0.0045 0.0045 0.0045 -2.6457
|
|
Ag 7.94847 -2.11262 -0.62415 0.0035 0.0035 0.0035 -2.0954
|
|
Ag -2.06636 -4.44697 -1.95342 -0.0019 -0.0019 -0.0019 -2.6215
|
|
Ag 3.28915 4.06291 4.90106 -0.0046 -0.0046 -0.0046 -2.2538
|
|
Ag 1.85338 5.74663 3.30340 -0.0090 -0.0090 -0.0090 -2.2769
|
|
Ag 2.09072 3.67927 1.70077 0.0002 0.0002 0.0002 -2.4606
|
|
Ag -5.38617 0.37599 1.12573 -0.0003 -0.0003 -0.0003 -2.3451
|
|
Ag 1.22823 -3.60043 1.70492 0.0034 0.0034 0.0034 -2.5063
|
|
Ag -0.43824 -5.61451 -4.63552 -0.0039 -0.0039 -0.0039 -2.0204
|
|
Ag 1.79098 -3.71457 -5.06823 0.0001 0.0001 0.0001 -2.3720
|
|
Ag -0.08325 3.43493 -5.86656 0.0022 0.0022 0.0022 -2.0293
|
|
Ag -1.75580 4.03574 -3.59008 0.0046 0.0046 0.0046 -2.0985
|
|
Ag -2.41442 0.05566 0.53594 -0.0003 -0.0003 -0.0003 -2.7971
|
|
Ag 3.18292 1.27942 -2.89609 -0.0033 -0.0033 -0.0033 -2.4304
|
|
Ag 3.88374 -0.25907 -4.90638 -0.0033 -0.0033 -0.0033 -2.2452
|
|
Ag -1.31227 0.39219 -1.95681 -0.0027 -0.0027 -0.0027 -2.7113
|
|
Ag -2.86550 5.06912 0.63257 0.0017 0.0017 0.0017 -2.3760
|
|
Ag 7.77778 0.65202 -0.96946 -0.0028 -0.0028 -0.0028 -2.3457
|
|
Ag 2.57899 -5.37802 0.16876 -0.0006 -0.0006 -0.0006 -2.2269
|
|
Ag 0.36751 5.17734 -3.37038 0.0049 0.0049 0.0049 -2.1194
|
|
Ag 0.50187 -6.14823 1.77587 -0.0067 -0.0067 -0.0067 -2.1974
|
|
Ag -3.90855 2.18513 4.71625 -0.0006 -0.0006 -0.0006 -2.3890
|
|
Ag 4.43701 2.31811 1.77214 -0.0013 -0.0013 -0.0013 -2.5677
|
|
Ag -7.86523 -0.39183 -2.60561 0.0059 0.0059 0.0059 -1.7088
|
|
Ag -2.19953 -4.44745 5.89771 0.0006 0.0006 0.0006 -1.9062
|
|
Ag 1.34764 -0.95129 0.88897 -0.0009 -0.0009 -0.0009 -2.5535
|
|
Ag 0.34815 1.68576 0.71528 0.0066 0.0066 0.0066 -2.7311
|
|
Ag 7.09417 2.53382 1.16708 0.0042 0.0042 0.0042 -2.3339
|
|
Ag 5.73161 -2.33485 1.05044 -0.0007 -0.0007 -0.0007 -2.3963
|
|
Ag 1.28737 3.25448 -1.68332 0.0018 0.0018 0.0018 -2.6468
|
|
Ag -1.53612 3.17408 -0.74623 -0.0007 -0.0007 -0.0007 -2.6298
|
|
Ag 4.40136 -3.12437 -4.88653 0.0035 0.0035 0.0035 -1.9949
|
|
Ag 7.68637 -0.12519 1.54381 0.0010 0.0010 0.0010 -2.4072
|
|
Ag 2.47920 -4.80843 -2.56432 0.0019 0.0019 0.0019 -2.3826
|
|
Ag 3.11070 4.54947 -3.08796 0.0000 0.0000 0.0000 -2.1167
|
|
Ag 3.79317 4.04052 -0.25636 0.0045 0.0045 0.0045 -2.3814
|
|
Ag -1.07936 -2.13356 -0.67639 -0.0010 -0.0010 -0.0010 -2.7622
|
|
Ag 4.87991 0.00268 -0.13380 0.0026 0.0026 0.0026 -2.6416
|
|
Ag -0.43765 1.55202 -4.15603 -0.0018 -0.0018 -0.0018 -2.5091
|
|
Ag 5.69259 3.95409 3.73329 -0.0038 -0.0038 -0.0038 -2.0053
|
|
Ag -4.39697 0.91776 -1.27848 0.0019 0.0019 0.0019 -2.5755
|
|
Ag 4.29158 -0.90674 3.12436 0.0028 0.0028 0.0028 -2.2964
|
|
Ag -0.58658 -4.39025 3.80576 0.0029 0.0029 0.0029 -2.4332
|
|
Ag -5.97864 -2.12393 -2.83169 0.0031 0.0031 0.0031 -2.2880
|
|
Ag -0.79837 -1.51740 2.39334 0.0000 0.0000 0.0000 -2.8053
|
|
Ag -3.21456 -0.19479 3.19399 -0.0037 -0.0037 -0.0037 -2.6052
|
|
Ag -1.34384 -4.29091 0.96015 -0.0047 -0.0047 -0.0047 -2.7029
|
|
Ag 5.97986 0.43952 -2.89595 0.0014 0.0014 0.0014 -2.3284
|
|
Ag -4.55308 3.19463 0.55786 -0.0019 -0.0019 -0.0019 -2.3126
|
|
Ag -6.95612 -5.03651 -3.09579 0.0031 0.0031 0.0031 -1.7311
|
|
Ag 0.01603 -5.89738 -1.20961 0.0071 0.0071 0.0071 -2.4188
|
|
Ag 1.34122 -0.13605 -1.66600 -0.0022 -0.0022 -0.0022 -2.5343
|
|
Ag -1.22600 -2.06998 4.97606 -0.0072 -0.0072 -0.0072 -2.3957
|
|
Ag -0.00728 -1.52290 -5.02042 -0.0002 -0.0002 -0.0002 -2.3081
|
|
Ag -4.66741 -4.92955 -1.09602 0.0033 0.0033 0.0033 -2.3636
|
|
Ag -3.77498 5.02971 5.39946 0.0065 0.0065 0.0065 -2.0218
|
|
Ag -5.35562 -1.72118 -0.44963 -0.0030 -0.0030 -0.0030 -2.3103
|
|
Ag -3.71833 -5.24073 1.82711 -0.0011 -0.0011 -0.0011 -2.2160
|
|
Ag 1.38533 5.48047 -0.15998 -0.0005 -0.0005 -0.0005 -2.4699
|
|
Ag -1.56559 0.86212 5.71748 0.0005 0.0005 0.0005 -2.3106
|
|
Ag 0.23312 -3.37678 -2.85303 0.0051 0.0051 0.0051 -2.5976
|
|
Ag 5.49240 -2.03993 -1.64479 0.0000 0.0000 0.0000 -2.4121
|
|
Ag 5.64987 2.50190 -1.37096 0.0042 0.0042 0.0042 -2.3730
|
|
Ag -0.30875 1.21872 3.38534 -0.0000 -0.0000 -0.0000 -2.7325
|
|
Ag -2.08103 5.71627 3.47881 0.0080 0.0080 0.0080 -2.4131
|
|
Ag -0.37603 4.17934 2.01272 0.0042 0.0042 0.0042 -2.7020
|
|
Ag -4.57306 -4.28433 -3.91238 0.0056 0.0056 0.0056 -2.2078
|
|
Ag -2.46968 -0.47734 -4.55807 -0.0013 -0.0013 -0.0013 -2.4545
|
|
Ag -1.86725 -3.17618 -4.28129 -0.0006 -0.0006 -0.0006 -2.3930
|
|
Ag -3.17115 1.88118 -3.62576 -0.0054 -0.0054 -0.0054 -2.3523
|
|
Ag -2.63025 2.41145 2.22638 0.0034 0.0034 0.0034 -2.8220
|
|
Ag 1.08762 2.31297 5.74592 0.0022 0.0022 0.0022 -2.3524
|
|
Ag 2.07134 1.90365 -5.03669 -0.0045 -0.0045 -0.0045 -2.1888
|
|
Ag -5.22867 0.25275 -3.63612 0.0020 0.0020 0.0020 -2.3122
|
|
Ag 1.47902 -0.82147 4.08948 0.0029 0.0029 0.0029 -2.3654
|
|
Ag 2.29862 1.59531 3.30935 0.0014 0.0014 0.0014 -2.5311
|
|
Ag -0.13392 6.74980 2.09571 0.0054 0.0054 0.0054 -2.1480
|
|
Ag -6.67986 2.42042 2.08729 -0.0007 -0.0007 -0.0007 -1.9451
|