92 lines
8.9 KiB
Plaintext
92 lines
8.9 KiB
Plaintext
89
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -1.99848 4.28221 0.82963 0.0016 0.0016 0.0016 -2.7269
|
|
Ag 1.62882 -3.74736 -2.08748 0.0003 0.0003 0.0003 -2.7173
|
|
Ag 7.27709 1.32824 -2.27198 -0.0048 -0.0048 -0.0048 -2.1500
|
|
Ag 1.48983 2.03793 4.84971 0.0023 0.0023 0.0023 -2.4626
|
|
Ag 4.35096 1.24218 4.53129 0.0023 0.0023 0.0023 -2.1787
|
|
Ag -1.12758 2.38301 2.67451 0.0011 0.0011 0.0011 -2.8259
|
|
Ag 0.18808 -0.37297 2.53780 0.0005 0.0005 0.0005 -2.4067
|
|
Ag 5.75175 -0.53427 -0.85016 -0.0155 -0.0155 -0.0155 -2.3913
|
|
Ag 1.74635 -6.41221 -0.41419 -0.0021 -0.0021 -0.0021 -2.3108
|
|
Ag 0.80100 -4.27868 3.61522 -0.0061 -0.0061 -0.0061 -2.3420
|
|
Ag 4.71926 3.33960 1.14015 0.0034 0.0034 0.0034 -2.4389
|
|
Ag 2.39827 1.80864 2.21959 -0.0006 -0.0006 -0.0006 -2.8183
|
|
Ag -4.51086 4.96167 -0.69701 0.0021 0.0021 0.0021 -2.3188
|
|
Ag -3.81243 -4.77364 -6.22077 -0.0045 -0.0045 -0.0045 -1.7630
|
|
Ag -4.33797 -2.83190 1.70756 0.0030 0.0030 0.0030 -2.3877
|
|
Ag 2.17769 -0.42331 5.09106 -0.0008 -0.0008 -0.0008 -2.2282
|
|
Ag 5.40286 -1.15578 -3.81709 0.0026 0.0026 0.0026 -2.1471
|
|
Ag -3.14251 1.48503 0.16951 -0.0028 -0.0028 -0.0028 -2.7929
|
|
Ag -2.78698 3.30113 -1.96464 -0.0043 -0.0043 -0.0043 -2.5843
|
|
Ag -3.95976 1.51207 3.18385 0.0024 0.0024 0.0024 -2.4589
|
|
Ag -4.40879 -6.40092 1.15340 0.0009 0.0009 0.0009 -2.2477
|
|
Ag -0.08117 -6.28141 -2.56408 -0.0028 -0.0028 -0.0028 -2.3096
|
|
Ag 3.63602 3.61533 3.80446 0.0026 0.0026 0.0026 -2.4723
|
|
Ag -1.66367 -1.77649 -0.75925 -0.0002 -0.0002 -0.0002 -2.6515
|
|
Ag -1.45631 6.97204 1.94151 -0.0031 -0.0031 -0.0031 -2.0293
|
|
Ag -2.07653 4.90183 3.58639 -0.0005 -0.0005 -0.0005 -2.2629
|
|
Ag 0.84126 4.72211 6.15269 0.0013 0.0013 0.0013 -2.1272
|
|
Ag -2.59874 -2.31741 4.37987 -0.0014 -0.0014 -0.0014 -2.2773
|
|
Ag 1.89314 5.63661 -0.75619 0.0007 0.0007 0.0007 -2.2346
|
|
Ag -1.74839 5.67765 -1.54302 0.0052 0.0052 0.0052 -2.2716
|
|
Ag 5.32005 0.86995 1.82905 -0.0058 -0.0058 -0.0058 -2.3901
|
|
Ag 3.37429 -3.19189 0.13073 0.0016 0.0016 0.0016 -2.6322
|
|
Ag -1.57802 -4.94978 -4.57573 0.0013 0.0013 0.0013 -2.4264
|
|
Ag 3.34215 0.41633 -4.30108 -0.0029 -0.0029 -0.0029 -2.3075
|
|
Ag -0.20807 3.38647 -2.07960 -0.0027 -0.0027 -0.0027 -2.5106
|
|
Ag -5.19813 -0.09334 0.92789 0.0031 0.0031 0.0031 -2.4363
|
|
Ag -2.11306 2.79354 5.13344 0.0066 0.0066 0.0066 -2.1951
|
|
Ag 4.76832 4.58248 -2.74822 0.0061 0.0061 0.0061 -2.0477
|
|
Ag 0.54859 -4.03561 0.46082 0.0027 0.0027 0.0027 -2.7920
|
|
Ag -0.84540 -2.55202 2.33531 0.0013 0.0013 0.0013 -2.4495
|
|
Ag -2.05265 -6.62649 -0.71256 0.0004 0.0004 0.0004 -2.6807
|
|
Ag -4.11197 -4.18591 -3.75648 -0.0000 -0.0000 -0.0000 -2.2572
|
|
Ag -0.32489 6.41409 4.27278 0.0004 0.0004 0.0004 -2.1695
|
|
Ag -2.35102 -5.63887 2.85240 -0.0035 -0.0035 -0.0035 -2.3028
|
|
Ag 0.79899 3.33749 -5.27988 0.0074 0.0074 0.0074 -2.0361
|
|
Ag 4.34275 -3.28922 -2.56236 0.0011 0.0011 0.0011 -2.2481
|
|
Ag 0.15669 -2.16044 5.18452 -0.0008 -0.0008 -0.0008 -2.3608
|
|
Ag -0.01710 1.14208 0.44696 0.0007 0.0007 0.0007 -2.7467
|
|
Ag 1.95846 2.34370 -3.06703 0.0023 0.0023 0.0023 -2.4056
|
|
Ag -2.15161 -3.98118 0.81538 0.0042 0.0042 0.0042 -2.5717
|
|
Ag 2.19682 -2.11557 2.78144 0.0041 0.0041 0.0041 -2.6377
|
|
Ag -1.39021 0.22853 4.70612 0.0009 0.0009 0.0009 -2.5175
|
|
Ag 5.48196 2.00641 -4.00499 0.0054 0.0054 0.0054 -2.1895
|
|
Ag 0.53105 -0.98116 -2.66863 0.0004 0.0004 0.0004 -2.6906
|
|
Ag 0.92497 6.62939 1.91207 -0.0034 -0.0034 -0.0034 -2.2481
|
|
Ag 0.78120 -0.09878 -5.29376 -0.0006 -0.0006 -0.0006 -2.2600
|
|
Ag 7.26691 2.23992 0.55246 0.0046 0.0046 0.0046 -2.2570
|
|
Ag 2.52147 2.10823 -0.41103 -0.0062 -0.0062 -0.0062 -2.6657
|
|
Ag -4.82371 3.35664 1.40429 0.0005 0.0005 0.0005 -2.3124
|
|
Ag -3.51545 -6.77741 -3.33197 -0.0060 -0.0060 -0.0060 -2.2955
|
|
Ag 0.85342 4.20715 3.50071 -0.0012 -0.0012 -0.0012 -2.6774
|
|
Ag -1.53620 -2.20431 -4.00754 -0.0011 -0.0011 -0.0011 -2.4420
|
|
Ag 5.23111 2.47480 -1.09601 -0.0013 -0.0013 -0.0013 -2.4304
|
|
Ag 4.83480 5.81347 -0.28700 -0.0047 -0.0047 -0.0047 -2.2506
|
|
Ag -7.85328 2.68749 -2.36748 0.0014 0.0014 0.0014 -1.6875
|
|
Ag -2.34878 -8.13337 1.53545 0.0024 0.0024 0.0024 -2.1423
|
|
Ag -5.65647 3.87759 -3.19436 0.0035 0.0035 0.0035 -1.9958
|
|
Ag -4.17298 -1.83913 -0.69637 0.0043 0.0043 0.0043 -2.3284
|
|
Ag -1.32038 4.51286 -4.07937 -0.0043 -0.0043 -0.0043 -2.1780
|
|
Ag 0.75504 3.91531 0.88974 -0.0020 -0.0020 -0.0020 -2.7308
|
|
Ag 2.54455 6.01172 4.51219 -0.0028 -0.0028 -0.0028 -2.3118
|
|
Ag 0.96269 -1.49996 0.11861 -0.0080 -0.0080 -0.0080 -2.7749
|
|
Ag -4.21273 -4.88377 -1.02667 0.0063 0.0063 0.0063 -2.5769
|
|
Ag 1.09585 -2.94699 -4.52503 0.0015 0.0015 0.0015 -2.2370
|
|
Ag 3.77574 -5.61930 -1.77838 -0.0057 -0.0057 -0.0057 -2.0318
|
|
Ag -1.50471 -4.09913 -1.98170 0.0006 0.0006 0.0006 -2.7358
|
|
Ag -5.61640 -1.16040 3.28825 0.0007 0.0007 0.0007 -1.9620
|
|
Ag -5.48233 2.25992 -1.05538 0.0034 0.0034 0.0034 -2.5310
|
|
Ag -4.58505 -7.79899 -0.91303 -0.0019 -0.0019 -0.0019 -2.0893
|
|
Ag 0.01442 -6.47846 1.58322 0.0008 0.0008 0.0008 -2.4202
|
|
Ag -4.44050 0.09978 -2.48641 -0.0036 -0.0036 -0.0036 -2.1651
|
|
Ag -1.54913 0.76660 -2.03184 -0.0023 -0.0023 -0.0023 -2.6384
|
|
Ag 3.11244 5.31039 1.77346 0.0017 0.0017 0.0017 -2.5078
|
|
Ag -1.31180 1.39165 -4.56278 -0.0008 -0.0008 -0.0008 -2.2586
|
|
Ag 3.34053 -0.44537 0.82942 0.0028 0.0028 0.0028 -2.6134
|
|
Ag 2.86796 -4.79225 2.16932 0.0010 0.0010 0.0010 -2.2227
|
|
Ag -2.31406 -0.26267 2.12593 -0.0047 -0.0047 -0.0047 -2.6623
|
|
Ag 3.10800 -0.88047 -1.97119 -0.0023 -0.0023 -0.0023 -2.6915
|
|
Ag 7.49702 4.95164 -0.52611 0.0077 0.0077 0.0077 -1.8162
|