72 lines
6.9 KiB
Plaintext
72 lines
6.9 KiB
Plaintext
69
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -1.70556 0.10931 2.31214 0.0011 0.0011 0.0011 -2.8986
|
|
Ag -2.94308 0.74775 -2.57631 -0.0011 -0.0011 -0.0011 -2.8623
|
|
Ag -2.49876 -2.46197 -4.78738 0.0026 0.0026 0.0026 -2.3795
|
|
Ag -2.93721 -1.80148 3.80472 0.0005 0.0005 0.0005 -2.5523
|
|
Ag -4.33475 -1.82754 -2.84345 -0.0006 -0.0006 -0.0006 -2.5546
|
|
Ag -0.06702 -0.45178 0.03459 -0.0012 -0.0012 -0.0012 -2.9139
|
|
Ag -1.50888 3.48088 -2.33476 -0.0024 -0.0024 -0.0024 -2.6986
|
|
Ag 4.75190 2.50409 -0.55467 -0.0006 -0.0006 -0.0006 -2.3989
|
|
Ag 0.32937 -3.10869 -0.72093 -0.0018 -0.0018 -0.0018 -2.8268
|
|
Ag 4.90473 -2.89404 0.99719 -0.0003 -0.0003 -0.0003 -2.3560
|
|
Ag -1.04391 3.78358 1.71211 -0.0020 -0.0020 -0.0020 -2.6607
|
|
Ag -0.37252 -5.62044 2.74538 -0.0013 -0.0013 -0.0013 -2.1474
|
|
Ag 0.86467 -5.61649 -1.18179 -0.0020 -0.0020 -0.0020 -2.2206
|
|
Ag -0.22094 2.58866 -4.68283 -0.0008 -0.0008 -0.0008 -2.3970
|
|
Ag -5.61289 -0.95174 -0.49300 0.0017 0.0017 0.0017 -2.3620
|
|
Ag 1.32099 3.68881 3.75384 -0.0013 -0.0013 -0.0013 -2.4466
|
|
Ag -3.03776 -0.91116 -0.30549 -0.0003 -0.0003 -0.0003 -2.8350
|
|
Ag 2.87941 -4.29780 -0.39412 0.0012 0.0012 0.0012 -2.4136
|
|
Ag 3.97785 -0.13778 5.01639 -0.0024 -0.0024 -0.0024 -2.3871
|
|
Ag 3.08664 4.62847 -0.80422 -0.0033 -0.0033 -0.0033 -2.4725
|
|
Ag -3.18063 0.93201 4.83105 0.0027 0.0027 0.0027 -2.2337
|
|
Ag 4.34782 -2.02643 -1.52848 -0.0014 -0.0014 -0.0014 -2.4878
|
|
Ag 3.31490 -1.64284 -4.25881 -0.0028 -0.0028 -0.0028 -2.2869
|
|
Ag -1.80215 1.78411 -0.10830 -0.0004 -0.0004 -0.0004 -2.9556
|
|
Ag -0.78875 -4.06813 -3.09391 0.0008 0.0008 0.0008 -2.4920
|
|
Ag -4.22115 -0.22920 -5.06817 -0.0006 -0.0006 -0.0006 -2.3044
|
|
Ag 2.31991 2.55461 -2.74191 0.0005 0.0005 0.0005 -2.6165
|
|
Ag 3.48067 -2.19417 3.31732 0.0014 0.0014 0.0014 -2.5420
|
|
Ag -4.63271 1.52909 -0.29090 -0.0000 -0.0000 -0.0000 -2.6316
|
|
Ag 3.92480 0.33923 -2.65856 -0.0018 -0.0018 -0.0018 -2.4569
|
|
Ag 2.91862 3.00508 1.50489 0.0009 0.0009 0.0009 -2.7206
|
|
Ag -0.44396 -3.16815 4.12226 0.0016 0.0016 0.0016 -2.5587
|
|
Ag 5.50628 1.98676 2.28562 -0.0017 -0.0017 -0.0017 -2.3560
|
|
Ag 1.77191 -1.60694 5.42510 -0.0015 -0.0015 -0.0015 -2.3523
|
|
Ag -1.14164 -1.36974 -2.41724 0.0014 0.0014 0.0014 -2.9163
|
|
Ag -1.08628 2.20858 3.98867 0.0007 0.0007 0.0007 -2.5503
|
|
Ag -2.89682 2.54123 -4.57011 -0.0001 -0.0001 -0.0001 -2.3582
|
|
Ag 1.39162 0.99048 4.53997 -0.0002 -0.0002 -0.0002 -2.6796
|
|
Ag 1.52372 0.41780 -4.56352 0.0008 0.0008 0.0008 -2.5474
|
|
Ag 0.01210 1.19503 -2.27869 0.0036 0.0036 0.0036 -2.8868
|
|
Ag -4.24066 -2.82426 1.11048 -0.0005 -0.0005 -0.0005 -2.4708
|
|
Ag 0.82704 -1.06886 2.79368 0.0029 0.0029 0.0029 -2.9166
|
|
Ag -0.81073 -0.46163 5.07824 0.0021 0.0021 0.0021 -2.5606
|
|
Ag 5.27422 0.09975 0.47928 0.0048 0.0048 0.0048 -2.5237
|
|
Ag -0.96045 5.61094 -0.44113 0.0018 0.0018 0.0018 -2.4011
|
|
Ag 3.15821 0.42401 2.40405 0.0000 0.0000 0.0000 -2.9136
|
|
Ag -2.79037 -4.44875 2.85461 -0.0005 -0.0005 -0.0005 -2.3205
|
|
Ag 1.47714 5.31202 1.53914 -0.0027 -0.0027 -0.0027 -2.4361
|
|
Ag -1.53788 -5.41444 0.13979 -0.0016 -0.0016 -0.0016 -2.3593
|
|
Ag 0.77097 3.39492 -0.32599 -0.0012 -0.0012 -0.0012 -2.9029
|
|
Ag -2.81004 -3.51811 -1.31434 0.0010 0.0010 0.0010 -2.5690
|
|
Ag 1.81632 -3.90550 -3.12744 0.0001 0.0001 0.0001 -2.4750
|
|
Ag -1.51058 0.00378 -5.00122 -0.0055 -0.0055 -0.0055 -2.6141
|
|
Ag -5.55523 0.76346 -2.75076 -0.0015 -0.0015 -0.0015 -2.3568
|
|
Ag 5.66325 -0.82014 2.89435 0.0019 0.0019 0.0019 -2.3376
|
|
Ag 1.23052 -3.77377 1.86202 0.0016 0.0016 0.0016 -2.6240
|
|
Ag 0.34280 -2.13982 -4.71621 0.0018 0.0018 0.0018 -2.5497
|
|
Ag -4.50693 -0.21143 2.11490 0.0012 0.0012 0.0012 -2.5427
|
|
Ag -1.43734 -2.67685 1.35520 0.0009 0.0009 0.0009 -2.9102
|
|
Ag 3.84987 2.60024 4.34985 -0.0021 -0.0021 -0.0021 -2.3044
|
|
Ag 2.47705 1.12861 -0.27296 0.0045 0.0045 0.0045 -2.8792
|
|
Ag -3.22098 4.26537 0.22632 0.0006 0.0006 0.0006 -2.4048
|
|
Ag 1.70482 -1.08686 -2.18752 0.0022 0.0022 0.0022 -2.8794
|
|
Ag 1.31634 6.66250 -0.75353 0.0010 0.0010 0.0010 -2.1309
|
|
Ag -3.44089 2.31018 2.19952 -0.0026 -0.0026 -0.0026 -2.5736
|
|
Ag 0.90361 4.87699 -2.68467 -0.0013 -0.0013 -0.0013 -2.4227
|
|
Ag -4.11873 3.43915 -2.18182 -0.0009 -0.0009 -0.0009 -2.3528
|
|
Ag 2.48961 -1.63946 0.48493 -0.0006 -0.0006 -0.0006 -2.8980
|
|
Ag 0.57664 1.55704 1.82576 0.0006 0.0006 0.0006 -2.8935
|