91 lines
8.8 KiB
Plaintext
91 lines
8.8 KiB
Plaintext
88
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 1.58620 5.63909 -3.91112 0.0009 0.0009 0.0009 -2.3698
|
|
Ag 1.60745 4.58688 3.83297 0.0023 0.0023 0.0023 -2.4617
|
|
Ag 3.40412 3.00654 5.14252 0.0004 0.0004 0.0004 -2.4065
|
|
Ag 4.75609 -3.47272 1.31740 0.0001 0.0001 0.0001 -2.5363
|
|
Ag 3.08738 0.64398 3.81794 -0.0025 -0.0025 -0.0025 -2.7938
|
|
Ag 5.52702 1.54580 3.86175 0.0003 0.0003 0.0003 -2.3689
|
|
Ag 5.49685 -0.94458 -0.15732 -0.0026 -0.0026 -0.0026 -2.4677
|
|
Ag 0.29199 -5.19483 -1.54190 0.0032 0.0032 0.0032 -2.6555
|
|
Ag -2.02517 -4.02981 -0.33295 0.0046 0.0046 0.0046 -2.8698
|
|
Ag -3.76521 -5.43974 1.21985 0.0019 0.0019 0.0019 -2.3010
|
|
Ag -1.17624 -5.37194 2.17655 0.0028 0.0028 0.0028 -2.5843
|
|
Ag -5.60080 -0.42536 -3.80279 -0.0024 -0.0024 -0.0024 -2.3706
|
|
Ag -3.19430 4.10433 1.62018 -0.0008 -0.0008 -0.0008 -2.5192
|
|
Ag -5.60034 1.12246 -1.38389 -0.0032 -0.0032 -0.0032 -2.5572
|
|
Ag 0.56045 -0.80029 0.96989 0.0033 0.0033 0.0033 -2.8352
|
|
Ag 2.15326 -1.96234 5.40463 0.0019 0.0019 0.0019 -2.5655
|
|
Ag -4.97519 -1.63803 -1.31176 0.0030 0.0030 0.0030 -2.6568
|
|
Ag -1.30069 0.91722 2.25364 0.0034 0.0034 0.0034 -2.8762
|
|
Ag -1.18940 6.31258 -2.98226 0.0001 0.0001 0.0001 -2.3727
|
|
Ag 2.99444 -4.99433 -0.16804 0.0000 0.0000 0.0000 -2.5295
|
|
Ag -5.02512 -3.05592 -3.87730 0.0031 0.0031 0.0031 -2.3604
|
|
Ag 2.71539 5.75590 -1.41484 -0.0009 -0.0009 -0.0009 -2.4042
|
|
Ag 1.77726 -0.25160 -1.95217 -0.0004 -0.0004 -0.0004 -2.8335
|
|
Ag 2.84244 0.66400 6.55199 -0.0006 -0.0006 -0.0006 -2.3878
|
|
Ag 0.87040 -6.55239 0.80324 -0.0026 -0.0026 -0.0026 -2.3569
|
|
Ag -3.13847 1.79144 0.16428 0.0019 0.0019 0.0019 -2.8670
|
|
Ag 0.77110 -3.71179 0.95362 -0.0014 -0.0014 -0.0014 -2.8409
|
|
Ag -0.71634 -0.74356 -3.50980 0.0004 0.0004 0.0004 -2.8424
|
|
Ag -0.75091 4.14086 -4.47243 0.0015 0.0015 0.0015 -2.5731
|
|
Ag -0.92864 3.52993 3.67106 -0.0011 -0.0011 -0.0011 -2.5387
|
|
Ag 5.62604 1.58355 1.08978 0.0014 0.0014 0.0014 -2.4780
|
|
Ag 1.80053 -1.60291 -4.49411 0.0006 0.0006 0.0006 -2.5843
|
|
Ag -0.26223 -3.81510 -3.95775 -0.0032 -0.0032 -0.0032 -2.5854
|
|
Ag -2.00782 2.99665 -2.08060 0.0030 0.0030 0.0030 -2.8814
|
|
Ag 3.82716 3.19391 2.43584 -0.0025 -0.0025 -0.0025 -2.6588
|
|
Ag -3.12167 0.26832 -2.40195 -0.0005 -0.0005 -0.0005 -2.9072
|
|
Ag 0.50176 -0.33764 3.88856 -0.0004 -0.0004 -0.0004 -2.8536
|
|
Ag -1.33749 -2.42974 2.17794 -0.0029 -0.0029 -0.0029 -2.7967
|
|
Ag -3.12197 -0.88853 -4.90588 -0.0013 -0.0013 -0.0013 -2.6114
|
|
Ag -2.63278 -3.64188 -5.03356 0.0007 0.0007 0.0007 -2.3688
|
|
Ag 4.90872 -0.73882 5.35293 0.0016 0.0016 0.0016 -2.3403
|
|
Ag -4.59429 2.15087 -3.79455 0.0016 0.0016 0.0016 -2.4393
|
|
Ag -4.37586 3.92121 -1.10689 0.0025 0.0025 0.0025 -2.5317
|
|
Ag -1.87564 -6.78421 -0.45438 0.0005 0.0005 0.0005 -2.3153
|
|
Ag 4.37128 3.90857 -0.18450 0.0009 0.0009 0.0009 -2.4545
|
|
Ag -4.63884 -4.48541 -1.54310 -0.0015 -0.0015 -0.0015 -2.4128
|
|
Ag -0.56743 0.85818 -0.93611 -0.0009 -0.0009 -0.0009 -2.8702
|
|
Ag 3.16660 0.45229 1.02006 0.0007 0.0007 0.0007 -2.8813
|
|
Ag -5.61163 2.72034 1.03034 0.0022 0.0022 0.0022 -2.3423
|
|
Ag 0.29998 6.63299 -0.45360 0.0004 0.0004 0.0004 -2.3747
|
|
Ag 0.45904 0.60162 -5.78425 0.0004 0.0004 0.0004 -2.4440
|
|
Ag -0.72280 3.24820 0.65213 0.0010 0.0010 0.0010 -2.9144
|
|
Ag 1.88190 2.44328 -0.44459 -0.0010 -0.0010 -0.0010 -2.8977
|
|
Ag -2.91153 -3.79746 3.82050 -0.0016 -0.0016 -0.0016 -2.3449
|
|
Ag -1.32271 -2.00180 5.15692 -0.0023 -0.0023 -0.0023 -2.5026
|
|
Ag 2.41878 -2.02815 2.55348 0.0021 0.0021 0.0021 -2.8999
|
|
Ag 2.79303 -2.26977 -0.29659 0.0004 0.0004 0.0004 -2.8774
|
|
Ag -2.29477 -0.93971 0.09791 0.0012 0.0012 0.0012 -2.9020
|
|
Ag 2.31610 -3.54611 -2.64370 -0.0026 -0.0026 -0.0026 -2.5913
|
|
Ag 0.78889 2.08671 5.17935 0.0004 0.0004 0.0004 -2.6473
|
|
Ag -3.89663 1.75324 2.95259 -0.0010 -0.0010 -0.0010 -2.4977
|
|
Ag 0.31547 -0.17040 6.70104 0.0045 0.0045 0.0045 -2.3368
|
|
Ag -2.41873 -5.40576 -2.85660 0.0009 0.0009 0.0009 -2.4763
|
|
Ag 0.18199 -2.20397 -1.25698 0.0041 0.0041 0.0041 -2.8399
|
|
Ag 0.41228 -3.71048 3.72946 0.0010 0.0010 0.0010 -2.5992
|
|
Ag 2.51162 -5.04488 2.47654 0.0004 0.0004 0.0004 -2.4785
|
|
Ag -3.41293 4.69485 -3.67714 0.0033 0.0033 0.0033 -2.3167
|
|
Ag -1.86706 1.67682 -4.54689 0.0032 0.0032 0.0032 -2.6552
|
|
Ag -4.83193 -0.00136 1.22499 0.0012 0.0012 0.0012 -2.5612
|
|
Ag 1.27947 2.25459 2.47419 0.0062 0.0062 0.0062 -2.8841
|
|
Ag 2.99635 3.39774 -2.86596 -0.0034 -0.0034 -0.0034 -2.6626
|
|
Ag -2.06914 5.39273 -0.55286 -0.0044 -0.0044 -0.0044 -2.5705
|
|
Ag -0.32138 5.80886 2.25812 -0.0001 -0.0001 -0.0001 -2.3422
|
|
Ag -0.52847 -1.75812 -5.86283 -0.0000 -0.0000 -0.0000 -2.3020
|
|
Ag -3.39559 -1.05619 3.33248 0.0027 0.0027 0.0027 -2.6036
|
|
Ag -4.11032 -2.74976 1.22995 -0.0015 -0.0015 -0.0015 -2.6157
|
|
Ag 0.56141 1.92354 -3.20971 -0.0006 -0.0006 -0.0006 -2.8836
|
|
Ag 4.35320 1.33346 -1.49842 -0.0003 -0.0003 -0.0003 -2.6330
|
|
Ag 0.34510 4.33420 -1.78371 0.0003 0.0003 0.0003 -2.8387
|
|
Ag -1.92670 0.71990 4.86068 -0.0016 -0.0016 -0.0016 -2.5114
|
|
Ag 4.76895 -3.80448 -1.70520 -0.0005 -0.0005 -0.0005 -2.2458
|
|
Ag -2.65110 -2.52424 -2.54438 -0.0013 -0.0013 -0.0013 -2.8857
|
|
Ag 1.68961 3.18453 -5.34169 0.0007 0.0007 0.0007 -2.3736
|
|
Ag 4.19548 -3.39146 4.03874 -0.0020 -0.0020 -0.0020 -2.3362
|
|
Ag 2.94973 0.88454 -4.18377 0.0007 0.0007 0.0007 -2.5569
|
|
Ag 5.10557 -0.90690 2.54931 0.0036 0.0036 0.0036 -2.6648
|
|
Ag 4.12228 -1.33092 -2.80729 0.0020 0.0020 0.0020 -2.5349
|
|
Ag 1.94817 4.89084 1.10486 -0.0043 -0.0043 -0.0043 -2.6688
|