89 lines
8.6 KiB
Plaintext
89 lines
8.6 KiB
Plaintext
86
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 1.16715 -2.76356 -1.08359 0.0015 0.0015 0.0015 -2.7555
|
|
Ag 2.32107 -4.27496 -3.32752 -0.0009 -0.0009 -0.0009 -2.6221
|
|
Ag -5.33319 1.43494 -0.28784 0.0001 0.0001 0.0001 -2.4791
|
|
Ag 4.23508 1.56769 1.56080 0.0008 0.0008 0.0008 -2.6453
|
|
Ag 2.64059 0.79508 -5.02342 -0.0021 -0.0021 -0.0021 -2.4702
|
|
Ag -2.35129 -1.80782 1.94177 0.0002 0.0002 0.0002 -2.8784
|
|
Ag -2.91523 0.77049 -5.16294 -0.0005 -0.0005 -0.0005 -2.4715
|
|
Ag 0.23381 1.22934 4.48859 0.0006 0.0006 0.0006 -2.8538
|
|
Ag -4.93652 -0.96589 1.34306 0.0013 0.0013 0.0013 -2.5638
|
|
Ag -3.90644 -1.90156 -4.43687 -0.0052 -0.0052 -0.0052 -2.4908
|
|
Ag 2.11067 4.07924 -1.60937 0.0016 0.0016 0.0016 -2.5411
|
|
Ag -4.06195 4.05004 3.00362 0.0012 0.0012 0.0012 -2.3188
|
|
Ag 0.67266 2.90433 2.26725 0.0001 0.0001 0.0001 -2.8920
|
|
Ag 0.95625 2.17448 -3.20424 -0.0004 -0.0004 -0.0004 -2.7296
|
|
Ag 4.32513 0.65986 4.23187 0.0007 0.0007 0.0007 -2.3819
|
|
Ag 0.47780 -5.47184 1.49445 -0.0021 -0.0021 -0.0021 -2.3679
|
|
Ag 2.00161 0.25253 2.63720 -0.0009 -0.0009 -0.0009 -2.8887
|
|
Ag -4.37781 3.06647 -4.60189 0.0013 0.0013 0.0013 -2.3210
|
|
Ag 2.07139 -0.87315 5.41710 0.0004 0.0004 0.0004 -2.5300
|
|
Ag 4.39139 2.53239 -1.12444 0.0036 0.0036 0.0036 -2.5430
|
|
Ag -0.23408 -1.30850 3.59501 -0.0006 -0.0006 -0.0006 -2.8164
|
|
Ag -4.58753 1.49522 2.20051 -0.0002 -0.0002 -0.0002 -2.5924
|
|
Ag -1.17573 -4.52213 -0.42297 -0.0021 -0.0021 -0.0021 -2.6569
|
|
Ag 3.09054 0.46419 -2.30686 -0.0038 -0.0038 -0.0038 -2.8754
|
|
Ag -1.29364 2.40173 6.53176 0.0016 0.0016 0.0016 -2.3807
|
|
Ag -2.18334 -4.69027 2.16225 -0.0008 -0.0008 -0.0008 -2.5246
|
|
Ag -4.45069 -3.17114 3.02468 -0.0003 -0.0003 -0.0003 -2.3384
|
|
Ag -1.17634 5.87566 2.69330 -0.0003 -0.0003 -0.0003 -2.2278
|
|
Ag 6.38403 -1.74612 -2.40892 0.0008 0.0008 0.0008 -2.3735
|
|
Ag 0.34128 0.23064 7.13694 -0.0012 -0.0012 -0.0012 -2.3632
|
|
Ag -2.61068 -4.22764 -5.24109 0.0001 0.0001 0.0001 -2.3149
|
|
Ag 2.96276 -3.21937 -5.79992 0.0003 0.0003 0.0003 -2.3307
|
|
Ag -1.11672 -2.26086 -3.56114 -0.0020 -0.0020 -0.0020 -2.8696
|
|
Ag 4.69790 -1.14897 2.06016 0.0050 0.0050 0.0050 -2.4884
|
|
Ag -0.85379 -5.12052 -3.39852 0.0011 0.0011 0.0011 -2.3831
|
|
Ag -1.71386 -1.72005 -6.15649 -0.0014 -0.0014 -0.0014 -2.4871
|
|
Ag 1.36481 5.37261 3.17558 -0.0009 -0.0009 -0.0009 -2.3571
|
|
Ag 5.42476 -3.06570 -0.14415 -0.0012 -0.0012 -0.0012 -2.3930
|
|
Ag -1.49741 3.45780 3.98964 -0.0002 -0.0002 -0.0002 -2.6990
|
|
Ag 3.65109 -2.28669 -1.88945 0.0033 0.0033 0.0033 -2.7887
|
|
Ag -1.56235 -1.85179 -0.73427 -0.0041 -0.0041 -0.0041 -2.8911
|
|
Ag 0.13226 -4.12194 3.78014 -0.0012 -0.0012 -0.0012 -2.4800
|
|
Ag 3.68503 2.83985 -3.71716 -0.0001 -0.0001 -0.0001 -2.3531
|
|
Ag -2.23473 -2.89416 4.52854 0.0004 0.0004 0.0004 -2.5208
|
|
Ag 2.48978 1.72763 6.06326 -0.0027 -0.0027 -0.0027 -2.4031
|
|
Ag -4.38462 -1.35403 -1.55661 0.0017 0.0017 0.0017 -2.6481
|
|
Ag 0.29398 4.96012 0.44314 0.0015 0.0015 0.0015 -2.6396
|
|
Ag -3.97383 -0.68163 3.98780 0.0048 0.0048 0.0048 -2.5748
|
|
Ag 3.04121 4.11730 1.13417 -0.0015 -0.0015 -0.0015 -2.5283
|
|
Ag -4.86048 0.93910 -3.06889 -0.0002 -0.0002 -0.0002 -2.5468
|
|
Ag -3.11700 5.01682 -2.97503 0.0030 0.0030 0.0030 -2.3534
|
|
Ag -4.66957 3.86400 0.45042 0.0008 0.0008 0.0008 -2.4585
|
|
Ag -1.85450 -0.12839 5.68972 -0.0004 -0.0004 -0.0004 -2.6473
|
|
Ag 1.92868 1.77481 -0.06360 -0.0018 -0.0018 -0.0018 -2.8911
|
|
Ag 2.48057 -0.96675 0.27429 -0.0000 -0.0000 -0.0000 -2.8817
|
|
Ag 1.26213 -5.63753 -1.08966 0.0004 0.0004 0.0004 -2.4329
|
|
Ag -3.64554 1.89194 4.85584 -0.0011 -0.0011 -0.0011 -2.4856
|
|
Ag -3.09221 -3.71872 -2.48612 0.0010 0.0010 0.0010 -2.5610
|
|
Ag 0.22659 -3.64958 -5.49069 -0.0026 -0.0026 -0.0026 -2.5416
|
|
Ag 4.50206 -1.12299 -4.31607 -0.0042 -0.0042 -0.0042 -2.5840
|
|
Ag 3.04289 3.05203 3.74156 0.0007 0.0007 0.0007 -2.5889
|
|
Ag 5.13826 -0.15799 -0.48818 -0.0010 -0.0010 -0.0010 -2.6822
|
|
Ag 2.63612 -2.35796 3.35095 -0.0018 -0.0018 -0.0018 -2.5016
|
|
Ag -2.08375 3.11322 1.30944 0.0011 0.0011 0.0011 -2.8340
|
|
Ag -2.29351 5.29863 -0.23815 -0.0008 -0.0008 -0.0008 -2.4602
|
|
Ag 2.82619 -3.81782 0.74365 -0.0019 -0.0019 -0.0019 -2.6626
|
|
Ag -0.58884 2.43499 -0.79586 0.0005 0.0005 0.0005 -2.8674
|
|
Ag 5.02213 -3.82852 -3.64147 0.0024 0.0024 0.0024 -2.3818
|
|
Ag -0.23675 0.03439 0.91671 0.0014 0.0014 0.0014 -2.9152
|
|
Ag -3.75147 -3.39647 0.25993 0.0019 0.0019 0.0019 -2.5724
|
|
Ag 3.97961 -5.01099 -1.35129 0.0010 0.0010 0.0010 -2.3898
|
|
Ag 5.67686 0.97181 -3.07373 0.0003 0.0003 0.0003 -2.3913
|
|
Ag -3.27216 2.59743 -1.68980 0.0015 0.0015 0.0015 -2.7898
|
|
Ag 0.83497 3.85170 5.37573 0.0009 0.0009 0.0009 -2.4515
|
|
Ag -1.97779 0.82032 2.91680 0.0021 0.0021 0.0021 -2.8806
|
|
Ag 0.43817 -0.13400 -1.75191 0.0003 0.0003 0.0003 -2.8991
|
|
Ag -1.65633 2.75260 -3.88013 0.0011 0.0011 0.0011 -2.6234
|
|
Ag -0.31043 0.19483 -4.76742 -0.0001 -0.0001 -0.0001 -2.7200
|
|
Ag -0.43520 4.77197 -2.19072 -0.0046 -0.0046 -0.0046 -2.4638
|
|
Ag -2.91750 0.44975 0.13426 -0.0039 -0.0039 -0.0039 -2.8952
|
|
Ag -2.22734 0.15954 -2.62640 0.0006 0.0006 0.0006 -2.8885
|
|
Ag 0.39688 -2.70011 1.44210 -0.0022 -0.0022 -0.0022 -2.8263
|
|
Ag -5.66565 3.62375 -2.21286 -0.0007 -0.0007 -0.0007 -2.3156
|
|
Ag -0.18462 -2.45853 6.04967 -0.0004 -0.0004 -0.0004 -2.3501
|
|
Ag 1.05435 -1.35549 -6.61668 -0.0010 -0.0010 -0.0010 -2.3461
|
|
Ag 1.72384 -1.61919 -3.82740 0.0009 0.0009 0.0009 -2.9181
|