74 lines
7.1 KiB
Plaintext
74 lines
7.1 KiB
Plaintext
71
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -2.00979 3.17248 3.81610 0.0019 0.0019 0.0019 -2.5645
|
|
Ag -3.12784 -3.02456 3.56398 0.0032 0.0032 0.0032 -2.3855
|
|
Ag 5.77071 -0.16181 1.31169 0.0008 0.0008 0.0008 -2.4942
|
|
Ag 1.57814 1.88445 -1.95605 0.0018 0.0018 0.0018 -2.8645
|
|
Ag 2.41124 -3.72891 2.74646 0.0001 0.0001 0.0001 -2.5459
|
|
Ag 0.06023 1.58523 2.92725 0.0022 0.0022 0.0022 -2.8878
|
|
Ag -5.70965 -0.68090 -1.88104 0.0011 0.0011 0.0011 -2.3054
|
|
Ag 5.42179 -1.93432 -0.78563 0.0006 0.0006 0.0006 -2.4685
|
|
Ag 4.39405 -4.04719 0.85933 0.0011 0.0011 0.0011 -2.3454
|
|
Ag 4.30805 2.20149 1.06778 -0.0039 -0.0039 -0.0039 -2.5002
|
|
Ag -4.24063 -1.06661 1.94010 -0.0002 -0.0002 -0.0002 -2.6084
|
|
Ag -3.05228 -0.51248 -0.52951 -0.0006 -0.0006 -0.0006 -2.9228
|
|
Ag 3.32604 -1.56626 1.00828 -0.0013 -0.0013 -0.0013 -2.9183
|
|
Ag -3.13179 4.85522 -1.73352 -0.0014 -0.0014 -0.0014 -2.3468
|
|
Ag 3.67423 0.29514 3.14110 -0.0003 -0.0003 -0.0003 -2.6736
|
|
Ag 1.17899 -0.01148 -4.06478 0.0019 0.0019 0.0019 -2.6555
|
|
Ag -3.74311 0.74535 4.09257 0.0026 0.0026 0.0026 -2.4823
|
|
Ag -0.43971 -3.39234 3.13860 -0.0003 -0.0003 -0.0003 -2.5766
|
|
Ag 6.45859 1.84071 -0.43306 -0.0007 -0.0007 -0.0007 -2.3084
|
|
Ag 1.75854 4.59880 -2.37200 -0.0028 -0.0028 -0.0028 -2.4794
|
|
Ag -3.32346 3.15219 -3.90970 -0.0022 -0.0022 -0.0022 -2.3522
|
|
Ag -5.29498 1.09955 0.31577 -0.0026 -0.0026 -0.0026 -2.5795
|
|
Ag -1.40878 1.36034 -4.89474 0.0026 0.0026 0.0026 -2.3702
|
|
Ag -2.09484 -2.66882 0.96512 0.0025 0.0025 0.0025 -2.8834
|
|
Ag -5.46360 2.36684 -2.18805 -0.0011 -0.0011 -0.0011 -2.3622
|
|
Ag 0.16559 -4.71580 -1.69289 -0.0003 -0.0003 -0.0003 -2.5502
|
|
Ag -4.94132 4.07430 0.11980 -0.0011 -0.0011 -0.0011 -2.3396
|
|
Ag -1.07199 1.12327 5.46072 0.0040 0.0040 0.0040 -2.5756
|
|
Ag 2.44701 2.85355 3.07594 -0.0004 -0.0004 -0.0004 -2.5566
|
|
Ag -1.52023 -3.89142 -3.70938 -0.0024 -0.0024 -0.0024 -2.3387
|
|
Ag 2.93980 -1.91117 4.79454 -0.0027 -0.0027 -0.0027 -2.3666
|
|
Ag 0.48069 3.39423 5.01673 -0.0006 -0.0006 -0.0006 -2.3476
|
|
Ag 1.58991 -0.82002 -1.23218 -0.0008 -0.0008 -0.0008 -2.8719
|
|
Ag -2.55851 -1.26471 5.67464 0.0002 0.0002 0.0002 -2.2505
|
|
Ag -2.36268 4.17405 1.13747 0.0001 0.0001 0.0001 -2.6551
|
|
Ag -4.77923 -2.87320 -0.34315 0.0002 0.0002 0.0002 -2.4687
|
|
Ag -1.04941 -5.31388 0.66858 -0.0027 -0.0027 -0.0027 -2.4143
|
|
Ag 1.98926 3.68514 0.25520 0.0009 0.0009 0.0009 -2.6743
|
|
Ag 1.23473 -1.01903 2.88684 0.0005 0.0005 0.0005 -2.8968
|
|
Ag 6.47721 3.21647 -2.69806 0.0007 0.0007 0.0007 -2.1295
|
|
Ag 2.78937 -3.36479 -1.30966 0.0022 0.0022 0.0022 -2.6720
|
|
Ag 4.10813 3.06351 -1.51272 0.0011 0.0011 0.0011 -2.6593
|
|
Ag -0.82468 -2.10395 -1.46579 -0.0017 -0.0017 -0.0017 -2.9024
|
|
Ag 1.69496 0.82908 4.99943 -0.0027 -0.0027 -0.0027 -2.5709
|
|
Ag -3.00844 2.24148 -1.06105 0.0007 0.0007 0.0007 -2.8721
|
|
Ag 2.00809 -5.23944 0.53056 -0.0010 -0.0010 -0.0010 -2.3474
|
|
Ag 0.24392 -1.37073 5.44826 -0.0018 -0.0018 -0.0018 -2.4670
|
|
Ag 3.95615 0.32407 -1.04897 0.0017 0.0017 0.0017 -2.7950
|
|
Ag 2.05673 1.11447 1.09152 0.0022 0.0022 0.0022 -2.7823
|
|
Ag -2.63330 1.31467 1.59350 0.0006 0.0006 0.0006 -2.9034
|
|
Ag 0.29200 4.41698 2.44934 -0.0005 -0.0005 -0.0005 -2.5111
|
|
Ag 4.00124 4.12651 -3.94730 0.0008 0.0008 0.0008 -2.2164
|
|
Ag -3.59664 -2.27949 -2.77850 0.0011 0.0011 0.0011 -2.5661
|
|
Ag -2.65999 -4.43379 -1.28897 -0.0032 -0.0032 -0.0032 -2.5630
|
|
Ag 0.93662 -2.81834 -3.56575 -0.0013 -0.0013 -0.0013 -2.5241
|
|
Ag -1.31623 -1.16157 -4.07824 -0.0002 -0.0002 -0.0002 -2.5600
|
|
Ag 1.40279 2.86479 -4.40369 0.0030 0.0030 0.0030 -2.4269
|
|
Ag 3.79006 1.35982 -3.68815 0.0021 0.0021 0.0021 -2.6361
|
|
Ag -0.47442 2.38777 0.03738 0.0009 0.0009 0.0009 -2.8999
|
|
Ag -3.46562 0.51937 -3.17247 0.0012 0.0012 0.0012 -2.6877
|
|
Ag -0.83463 3.36929 -2.66905 0.0015 0.0015 0.0015 -2.7614
|
|
Ag -3.67422 -4.84638 1.28571 0.0022 0.0022 0.0022 -2.2475
|
|
Ag -1.50163 -0.70301 3.26684 0.0004 0.0004 0.0004 -2.8794
|
|
Ag -0.26235 5.16659 -0.40462 -0.0022 -0.0022 -0.0022 -2.4193
|
|
Ag 3.64088 -1.37651 -3.08113 0.0009 0.0009 0.0009 -2.5160
|
|
Ag 6.19296 0.35930 -2.52136 -0.0023 -0.0023 -0.0023 -2.3292
|
|
Ag 5.14984 -2.01115 3.18660 0.0031 0.0031 0.0031 -2.2884
|
|
Ag -4.61407 2.91291 2.53026 0.0002 0.0002 0.0002 -2.3539
|
|
Ag -0.52299 -0.33412 0.63609 -0.0019 -0.0019 -0.0019 -2.9171
|
|
Ag 0.82713 -2.81128 0.68376 -0.0001 -0.0001 -0.0001 -2.8800
|
|
Ag -0.81158 0.64108 -2.07170 0.0003 0.0003 0.0003 -2.8898
|