79 lines
7.6 KiB
Plaintext
79 lines
7.6 KiB
Plaintext
76
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 0.99907 2.03230 -3.65932 -0.0014 -0.0014 -0.0014 -2.2937
|
|
Ag 1.81115 -4.98592 -3.12652 -0.0105 -0.0105 -0.0105 -2.5105
|
|
Ag 3.34288 1.92145 3.63576 0.0040 0.0040 0.0040 -2.5255
|
|
Ag 1.04135 -1.31895 6.01220 -0.0016 -0.0016 -0.0016 -2.2197
|
|
Ag -0.67279 -1.72173 -6.05994 0.0001 0.0001 0.0001 -2.0099
|
|
Ag 2.33064 -2.24390 -5.34526 0.0025 0.0025 0.0025 -2.0283
|
|
Ag -2.78740 -0.69756 1.86207 -0.0023 -0.0023 -0.0023 -2.5339
|
|
Ag 2.42454 -7.52846 -2.59417 -0.0007 -0.0007 -0.0007 -1.7717
|
|
Ag 0.40623 -5.22890 1.77629 0.0018 0.0018 0.0018 -2.4889
|
|
Ag -1.64862 -3.27738 1.26433 -0.0020 -0.0020 -0.0020 -2.7902
|
|
Ag -0.82973 2.29417 -1.30747 0.0050 0.0050 0.0050 -2.6853
|
|
Ag 0.26270 -4.01051 -5.21244 0.0023 0.0023 0.0023 -2.3090
|
|
Ag -4.74187 0.93416 1.10667 -0.0029 -0.0029 -0.0029 -2.3359
|
|
Ag 4.78401 2.52797 -3.58987 -0.0032 -0.0032 -0.0032 -2.1703
|
|
Ag -2.15022 4.60778 -0.83159 0.0022 0.0022 0.0022 -2.6665
|
|
Ag -3.62789 4.34065 1.33205 -0.0041 -0.0041 -0.0041 -2.4504
|
|
Ag 2.68081 6.84971 1.63336 -0.0008 -0.0008 -0.0008 -1.9828
|
|
Ag 2.46156 -1.81771 -0.67731 0.0014 0.0014 0.0014 -2.7132
|
|
Ag -2.35466 6.38346 3.42629 0.0006 0.0006 0.0006 -2.3297
|
|
Ag -2.54886 3.58126 3.85849 -0.0067 -0.0067 -0.0067 -2.3587
|
|
Ag -0.19540 6.46789 -0.43448 0.0049 0.0049 0.0049 -2.3288
|
|
Ag 0.42971 -6.79065 -1.03835 0.0003 0.0003 0.0003 -2.3130
|
|
Ag -1.49011 -2.34121 -1.33311 0.0002 0.0002 0.0002 -2.6722
|
|
Ag 3.47196 -3.41549 1.96787 0.0003 0.0003 0.0003 -2.3519
|
|
Ag -2.17612 -5.65747 -0.58989 -0.0007 -0.0007 -0.0007 -2.3642
|
|
Ag 0.62364 2.55260 3.15975 -0.0055 -0.0055 -0.0055 -2.8502
|
|
Ag -2.20901 -1.37393 4.86970 0.0006 0.0006 0.0006 -2.2847
|
|
Ag -0.52705 4.99243 4.94335 -0.0014 -0.0014 -0.0014 -2.3324
|
|
Ag 1.55952 1.12931 5.50210 0.0077 0.0077 0.0077 -2.3467
|
|
Ag -0.12436 -0.33542 3.43711 -0.0031 -0.0031 -0.0031 -2.8119
|
|
Ag -3.64333 -4.90128 1.76748 -0.0015 -0.0015 -0.0015 -2.2248
|
|
Ag -0.89739 0.00335 0.10742 -0.0018 -0.0018 -0.0018 -2.6382
|
|
Ag 6.27806 0.34325 -3.05732 -0.0020 -0.0020 -0.0020 -2.1352
|
|
Ag 0.69775 -2.52019 -3.19872 -0.0009 -0.0009 -0.0009 -2.6323
|
|
Ag 2.66941 -5.46517 0.15735 0.0009 0.0009 0.0009 -2.3844
|
|
Ag 5.72805 2.70001 -1.18452 -0.0009 -0.0009 -0.0009 -2.1752
|
|
Ag -1.58627 2.47461 1.64784 0.0012 0.0012 0.0012 -2.6727
|
|
Ag 5.36831 -0.74126 -0.71337 -0.0018 -0.0018 -0.0018 -2.3697
|
|
Ag 1.28697 0.66312 -1.31040 -0.0029 -0.0029 -0.0029 -2.6023
|
|
Ag 1.07775 -2.36893 1.73028 -0.0042 -0.0042 -0.0042 -2.7474
|
|
Ag -1.31741 -5.45944 -3.31273 0.0042 0.0042 0.0042 -2.2935
|
|
Ag -4.65615 3.93877 -2.69755 -0.0031 -0.0031 -0.0031 -1.9738
|
|
Ag 4.68641 -0.07226 2.06829 0.0001 0.0001 0.0001 -2.2648
|
|
Ag -0.22411 -3.17598 3.96693 -0.0034 -0.0034 -0.0034 -2.5421
|
|
Ag 1.57679 3.64250 5.48845 -0.0006 -0.0006 -0.0006 -2.2258
|
|
Ag -1.68649 -5.20028 3.50165 0.0006 0.0006 0.0006 -2.1700
|
|
Ag -2.44376 6.98727 0.76202 0.0030 0.0030 0.0030 -2.2861
|
|
Ag -2.13584 0.04682 -3.19758 -0.0005 -0.0005 -0.0005 -2.2615
|
|
Ag -3.90908 -0.82693 -1.41246 -0.0061 -0.0061 -0.0061 -2.4019
|
|
Ag 3.39295 4.16456 2.19251 0.0001 0.0001 0.0001 -2.3251
|
|
Ag 2.69080 -0.73021 3.74538 0.0038 0.0038 0.0038 -2.5927
|
|
Ag -4.89726 -0.39648 3.46895 0.0014 0.0014 0.0014 -2.0656
|
|
Ag 4.50723 -3.54530 -0.63673 0.0017 0.0017 0.0017 -2.2608
|
|
Ag -2.12295 3.52530 -3.45713 -0.0074 -0.0074 -0.0074 -2.3667
|
|
Ag 1.48830 3.33799 0.63337 -0.0008 -0.0008 -0.0008 -2.6831
|
|
Ag -3.78798 -2.79744 3.25376 -0.0002 -0.0002 -0.0002 -2.3806
|
|
Ag 0.70398 -3.85015 -0.65194 0.0002 0.0002 0.0002 -2.7369
|
|
Ag -1.13452 1.70111 5.08454 -0.0034 -0.0034 -0.0034 -2.3689
|
|
Ag -3.47424 -3.78323 -2.00225 0.0031 0.0031 0.0031 -2.3153
|
|
Ag -4.03807 -2.44918 0.63013 0.0029 0.0029 0.0029 -2.3833
|
|
Ag -1.69336 6.42446 -2.62198 -0.0009 -0.0009 -0.0009 -2.1146
|
|
Ag 0.46224 4.60187 -2.17288 0.0032 0.0032 0.0032 -2.4987
|
|
Ag -1.92883 -2.72109 -3.98904 0.0040 0.0040 0.0040 -2.4671
|
|
Ag 3.58283 -2.55761 -3.21718 -0.0020 -0.0020 -0.0020 -2.4644
|
|
Ag -0.47307 4.90218 1.84140 -0.0029 -0.0029 -0.0029 -2.8572
|
|
Ag -3.67170 2.04172 -1.14479 -0.0050 -0.0050 -0.0050 -2.6106
|
|
Ag 1.62770 5.52658 3.61714 -0.0007 -0.0007 -0.0007 -2.3901
|
|
Ag 0.09316 7.55126 2.67004 -0.0030 -0.0030 -0.0030 -2.2593
|
|
Ag 3.66140 0.45652 -2.38685 -0.0021 -0.0021 -0.0021 -2.6645
|
|
Ag 1.76910 0.52204 1.52207 0.0037 0.0037 0.0037 -2.7882
|
|
Ag 3.76168 1.72684 0.32792 0.0044 0.0044 0.0044 -2.6270
|
|
Ag 3.08925 3.53528 -1.58300 0.0072 0.0072 0.0072 -2.4755
|
|
Ag 2.30999 0.42521 -5.24167 0.0030 0.0030 0.0030 -2.1444
|
|
Ag 2.62288 -3.15190 4.73464 -0.0020 -0.0020 -0.0020 -2.1220
|
|
Ag 4.37627 -1.08299 -5.40882 0.0042 0.0042 0.0042 -1.8714
|
|
Ag -5.71607 3.30176 0.30877 -0.0010 -0.0010 -0.0010 -2.0211
|