71 lines
6.8 KiB
Plaintext
71 lines
6.8 KiB
Plaintext
68
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -5.22653 -2.35250 -0.19686 0.0014 0.0014 0.0014 -2.4435
|
|
Ag -2.04509 1.61925 4.29119 -0.0015 -0.0015 -0.0015 -2.3815
|
|
Ag 0.18089 -2.21499 2.64281 -0.0015 -0.0015 -0.0015 -2.6551
|
|
Ag -4.39618 -0.13685 1.68144 -0.0019 -0.0019 -0.0019 -2.6603
|
|
Ag 1.38159 5.05533 1.49867 0.0023 0.0023 0.0023 -2.4793
|
|
Ag -4.11940 -2.35384 3.51077 0.0032 0.0032 0.0032 -2.3890
|
|
Ag 5.43281 -0.34189 -0.22025 0.0049 0.0049 0.0049 -2.3118
|
|
Ag 2.98770 -2.97668 3.19634 0.0001 0.0001 0.0001 -2.2120
|
|
Ag -4.84191 2.81802 -2.25154 -0.0006 -0.0006 -0.0006 -2.0459
|
|
Ag -3.14242 -0.89560 -1.12419 -0.0011 -0.0011 -0.0011 -2.6578
|
|
Ag -2.14422 -4.22410 3.28638 -0.0059 -0.0059 -0.0059 -2.1501
|
|
Ag 3.96587 -3.53702 0.14411 0.0021 0.0021 0.0021 -2.5033
|
|
Ag 1.76041 1.81689 -5.54768 0.0057 0.0057 0.0057 -2.0952
|
|
Ag -0.13963 3.20839 -3.28040 0.0032 0.0032 0.0032 -2.4758
|
|
Ag -7.36899 -0.79177 0.15119 -0.0046 -0.0046 -0.0046 -1.9931
|
|
Ag 3.08826 2.32106 4.06663 -0.0054 -0.0054 -0.0054 -2.3536
|
|
Ag -2.10615 0.18664 -6.31530 0.0024 0.0024 0.0024 -1.7979
|
|
Ag 5.48276 -2.39371 -1.80449 -0.0025 -0.0025 -0.0025 -2.1625
|
|
Ag 5.21287 -1.75927 2.07103 -0.0005 -0.0005 -0.0005 -2.2509
|
|
Ag 2.57487 4.84764 -3.81375 0.0056 0.0056 0.0056 -1.9259
|
|
Ag 0.36259 0.75380 -3.62017 0.0036 0.0036 0.0036 -2.5508
|
|
Ag 0.08073 -1.18898 -6.34635 0.0034 0.0034 0.0034 -2.0220
|
|
Ag -1.64353 -0.05682 2.27826 -0.0016 -0.0016 -0.0016 -2.7075
|
|
Ag -3.10561 1.91513 0.50325 -0.0004 -0.0004 -0.0004 -2.6811
|
|
Ag 0.16846 5.49578 -1.19852 -0.0035 -0.0035 -0.0035 -2.3159
|
|
Ag -0.80122 -4.65728 0.93491 0.0016 0.0016 0.0016 -2.2906
|
|
Ag -1.98403 -0.84651 -3.74234 -0.0009 -0.0009 -0.0009 -2.5063
|
|
Ag 1.75493 -5.51061 0.64525 -0.0018 -0.0018 -0.0018 -2.1214
|
|
Ag -3.21271 -3.76702 -1.38783 0.0017 0.0017 0.0017 -2.1419
|
|
Ag 2.78572 4.59189 -1.36160 -0.0043 -0.0043 -0.0043 -2.3972
|
|
Ag 2.65315 -2.80391 -2.29062 0.0017 0.0017 0.0017 -2.7208
|
|
Ag 1.55061 -0.44774 -1.69138 0.0014 0.0014 0.0014 -2.6480
|
|
Ag -2.40143 1.84355 -3.13533 0.0008 0.0008 0.0008 -2.3990
|
|
Ag 0.27039 -2.34706 -3.99693 -0.0048 -0.0048 -0.0048 -2.5103
|
|
Ag 1.97579 2.20377 1.76661 0.0021 0.0021 0.0021 -2.5629
|
|
Ag -4.18088 4.24792 0.73036 -0.0024 -0.0024 -0.0024 -2.1929
|
|
Ag -2.79279 -2.79243 0.95743 -0.0075 -0.0075 -0.0075 -2.6339
|
|
Ag -0.58271 2.65282 1.88116 -0.0022 -0.0022 -0.0022 -2.7611
|
|
Ag 3.36339 -0.09395 1.33089 0.0071 0.0071 0.0071 -2.5099
|
|
Ag -4.72134 0.09680 4.18986 -0.0015 -0.0015 -0.0015 -2.1716
|
|
Ag 2.16305 0.75483 6.11436 -0.0003 -0.0003 -0.0003 -2.2074
|
|
Ag 1.23363 -2.79417 0.08233 -0.0019 -0.0019 -0.0019 -2.6756
|
|
Ag -2.23696 4.12212 3.40029 -0.0008 -0.0008 -0.0008 -2.2384
|
|
Ag 0.78954 2.97626 -0.58887 -0.0039 -0.0039 -0.0039 -2.8120
|
|
Ag 0.94359 3.85436 3.98694 0.0019 0.0019 0.0019 -2.4315
|
|
Ag 2.34270 3.64033 6.68357 -0.0090 -0.0090 -0.0090 -1.5715
|
|
Ag -0.99716 -2.55805 -1.75342 -0.0007 -0.0007 -0.0007 -2.5189
|
|
Ag -5.46475 0.45869 -1.06636 -0.0038 -0.0038 -0.0038 -2.3065
|
|
Ag 0.70497 0.70972 3.77579 -0.0047 -0.0047 -0.0047 -2.8369
|
|
Ag -2.35177 3.70510 -1.37150 -0.0077 -0.0077 -0.0077 -2.5672
|
|
Ag 4.59714 -4.34318 -3.45134 0.0049 0.0049 0.0049 -2.0966
|
|
Ag 2.08711 -3.89187 -5.13970 -0.0054 -0.0054 -0.0054 -2.0787
|
|
Ag 0.70969 0.09741 1.01293 -0.0008 -0.0008 -0.0008 -2.6405
|
|
Ag 1.25620 -1.85591 5.06404 -0.0061 -0.0061 -0.0061 -2.2622
|
|
Ag 3.02702 -5.52159 -1.64315 0.0026 0.0026 0.0026 -2.2609
|
|
Ag 4.97589 1.61986 2.04315 -0.0041 -0.0041 -0.0041 -2.4118
|
|
Ag 5.19643 1.17670 -2.40398 -0.0023 -0.0023 -0.0023 -2.0925
|
|
Ag 3.77479 4.06727 1.24211 0.0067 0.0067 0.0067 -2.3002
|
|
Ag 2.89333 -0.33857 -4.01493 0.0026 0.0026 0.0026 -2.4351
|
|
Ag -6.48165 -2.23074 2.20149 -0.0018 -0.0018 -0.0018 -2.1329
|
|
Ag -1.24350 5.08036 1.09816 -0.0005 -0.0005 -0.0005 -2.4024
|
|
Ag 0.45223 -4.99842 -3.12700 -0.0024 -0.0024 -0.0024 -2.1218
|
|
Ag 3.69228 2.05894 -0.42314 0.0033 0.0033 0.0033 -2.6318
|
|
Ag -1.72013 -1.48141 4.54481 -0.0011 -0.0011 -0.0011 -2.4136
|
|
Ag 2.79027 2.25456 -3.07320 0.0035 0.0035 0.0035 -2.6428
|
|
Ag -4.80818 2.39762 2.61486 0.0009 0.0009 0.0009 -2.2805
|
|
Ag 3.65136 -0.02703 4.10429 0.0029 0.0029 0.0029 -2.3798
|
|
Ag -0.94227 0.99451 -1.23371 -0.0048 -0.0048 -0.0048 -2.7189
|