90 lines
8.7 KiB
Plaintext
90 lines
8.7 KiB
Plaintext
87
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 0.38842 29.31107 6.65569 -0.0043 -0.0043 -0.0043 -2.8603
|
|
Ag 4.02182 29.80549 9.33074 -0.0017 -0.0017 -0.0017 -2.7743
|
|
Ag 1.00691 29.01140 11.84313 0.0006 0.0006 0.0006 -2.8830
|
|
Ag -0.81092 28.89410 3.88969 0.0017 0.0017 0.0017 -2.9072
|
|
Ag -2.87243 31.26173 7.77172 0.0011 0.0011 0.0011 -2.8977
|
|
Ag 1.30360 29.49565 9.14815 -0.0004 -0.0004 -0.0004 -2.8624
|
|
Ag -0.84129 26.67743 7.35019 0.0005 0.0005 0.0005 -2.9127
|
|
Ag -1.41579 31.17087 5.29624 -0.0023 -0.0023 -0.0023 -2.8861
|
|
Ag -2.58358 28.62556 6.07742 -0.0016 -0.0016 -0.0016 -2.8969
|
|
Ag 0.59285 31.51645 3.25488 0.0021 0.0021 0.0021 -2.6731
|
|
Ag 0.86342 26.78005 5.09460 0.0022 0.0022 0.0022 -2.9194
|
|
Ag -0.58091 30.94349 10.61994 0.0012 0.0012 0.0012 -2.8862
|
|
Ag -4.13325 28.59603 8.51462 -0.0005 -0.0005 -0.0005 -2.5850
|
|
Ag 2.35855 31.48249 11.12815 0.0005 0.0005 0.0005 -2.7208
|
|
Ag -0.76003 28.79455 13.95825 0.0004 0.0004 0.0004 -2.3576
|
|
Ag 1.97148 27.05700 7.61306 0.0005 0.0005 0.0005 -2.9171
|
|
Ag -5.25932 28.32305 5.79158 -0.0006 -0.0006 -0.0006 -2.4278
|
|
Ag -0.23180 33.71160 4.44883 -0.0020 -0.0020 -0.0020 -2.5942
|
|
Ag -1.43070 29.03233 8.79301 0.0025 0.0025 0.0025 -2.8788
|
|
Ag -4.60513 33.14553 6.53600 0.0018 0.0018 0.0018 -2.4864
|
|
Ag -0.30580 24.21016 5.71134 -0.0000 -0.0000 -0.0000 -2.6714
|
|
Ag 6.67596 29.62422 8.47248 -0.0008 -0.0008 -0.0008 -2.3813
|
|
Ag 2.57974 26.80305 2.64057 0.0007 0.0007 0.0007 -2.4679
|
|
Ag 5.68950 29.15850 5.72333 -0.0021 -0.0021 -0.0021 -2.4536
|
|
Ag -2.67562 26.41155 9.42840 0.0017 0.0017 0.0017 -2.5929
|
|
Ag 4.02013 31.12355 4.45490 -0.0025 -0.0025 -0.0025 -2.6652
|
|
Ag 1.43965 31.62127 5.60711 -0.0009 -0.0009 -0.0009 -2.8075
|
|
Ag -1.85527 33.69425 6.74636 -0.0014 -0.0014 -0.0014 -2.7208
|
|
Ag 3.01664 27.50785 10.38847 0.0003 0.0003 0.0003 -2.7994
|
|
Ag 1.94278 29.13385 14.39053 0.0003 0.0003 0.0003 -2.2507
|
|
Ag 2.38937 31.87030 8.20493 -0.0027 -0.0027 -0.0027 -2.8154
|
|
Ag 1.27815 32.94162 1.07824 -0.0003 -0.0003 -0.0003 -2.2729
|
|
Ag 4.91664 27.60642 7.82158 0.0002 0.0002 0.0002 -2.5776
|
|
Ag 5.93071 30.35114 10.98621 0.0042 0.0042 0.0042 -2.2625
|
|
Ag 3.04229 29.44803 6.63432 0.0017 0.0017 0.0017 -2.8570
|
|
Ag 4.61784 32.47269 9.79844 0.0050 0.0050 0.0050 -2.4325
|
|
Ag -0.16339 31.81593 8.03057 -0.0021 -0.0021 -0.0021 -2.8339
|
|
Ag -1.04631 33.42100 12.17451 -0.0001 -0.0001 -0.0001 -2.4798
|
|
Ag 3.79845 29.22439 12.19551 -0.0004 -0.0004 -0.0004 -2.5969
|
|
Ag -4.84137 32.78081 9.31759 0.0005 0.0005 0.0005 -2.4857
|
|
Ag 3.63808 27.05888 5.18559 0.0001 0.0001 0.0001 -2.6809
|
|
Ag -2.96996 33.30875 4.20395 -0.0002 -0.0002 -0.0002 -2.4836
|
|
Ag -4.07318 30.77688 5.03699 0.0030 0.0030 0.0030 -2.6702
|
|
Ag 2.52266 24.72761 6.24800 -0.0017 -0.0017 -0.0017 -2.4754
|
|
Ag -3.70607 28.28109 3.45221 0.0012 0.0012 0.0012 -2.6608
|
|
Ag -1.26019 33.31913 1.93670 0.0011 0.0011 0.0011 -2.3717
|
|
Ag 0.60600 31.39950 13.39762 0.0010 0.0010 0.0010 -2.4445
|
|
Ag 1.39253 24.43730 3.53006 0.0011 0.0011 0.0011 -2.3693
|
|
Ag 3.63366 25.17771 8.90311 -0.0028 -0.0028 -0.0028 -2.4288
|
|
Ag -3.93327 32.75449 11.77283 -0.0024 -0.0024 -0.0024 -2.3477
|
|
Ag -2.10663 33.00333 9.61792 -0.0004 -0.0004 -0.0004 -2.7889
|
|
Ag -3.35004 30.54353 10.42004 0.0020 0.0020 0.0020 -2.6769
|
|
Ag -3.96180 26.08827 6.69337 0.0026 0.0026 0.0026 -2.5961
|
|
Ag -3.80357 35.04747 8.24056 0.0006 0.0006 0.0006 -2.3637
|
|
Ag 1.94366 25.00844 11.12159 0.0008 0.0008 0.0008 -2.5110
|
|
Ag 1.02247 28.94099 1.54886 -0.0034 -0.0034 -0.0034 -2.5987
|
|
Ag -0.09179 26.58236 2.53131 -0.0002 -0.0002 -0.0002 -2.6662
|
|
Ag 0.75061 24.56361 8.36864 0.0035 0.0035 0.0035 -2.6633
|
|
Ag 0.95111 33.79073 10.24418 0.0014 0.0014 0.0014 -2.5648
|
|
Ag 3.18717 34.53729 8.81618 0.0028 0.0028 0.0028 -2.2781
|
|
Ag 2.45583 33.33107 3.61406 0.0024 0.0024 0.0024 -2.4812
|
|
Ag -0.33691 26.28595 12.49917 -0.0003 -0.0003 -0.0003 -2.4475
|
|
Ag -2.75978 35.26457 10.86355 0.0003 0.0003 0.0003 -2.2658
|
|
Ag 4.96705 31.35926 7.15788 -0.0006 -0.0006 -0.0006 -2.6222
|
|
Ag -1.73946 28.53993 1.36050 0.0015 0.0015 0.0015 -2.4775
|
|
Ag 2.92186 30.94058 2.05990 0.0011 0.0011 0.0011 -2.4882
|
|
Ag -0.62212 30.91371 0.56167 0.0003 0.0003 0.0003 -2.3731
|
|
Ag -1.11340 35.31829 8.66199 0.0013 0.0013 0.0013 -2.3700
|
|
Ag 0.13290 26.94353 9.87244 -0.0012 -0.0012 -0.0012 -2.8994
|
|
Ag -0.91686 24.53820 10.56117 -0.0005 -0.0005 -0.0005 -2.3741
|
|
Ag -2.02571 24.16167 7.97336 0.0012 0.0012 0.0012 -2.4681
|
|
Ag -1.96194 28.27990 11.37399 0.0009 0.0009 0.0009 -2.6698
|
|
Ag 4.85885 26.06120 12.10583 0.0011 0.0011 0.0011 -2.1118
|
|
Ag -4.76669 25.63849 3.96900 -0.0023 -0.0023 -0.0023 -2.3058
|
|
Ag -2.00145 26.37258 4.64030 -0.0004 -0.0004 -0.0004 -2.9194
|
|
Ag -2.31031 30.97118 2.81443 -0.0002 -0.0002 -0.0002 -2.6492
|
|
Ag 4.45366 28.83625 3.01949 -0.0042 -0.0042 -0.0042 -2.3771
|
|
Ag -5.62875 30.65745 7.45840 0.0014 0.0014 0.0014 -2.3711
|
|
Ag 0.98149 34.22946 7.22543 -0.0005 -0.0005 -0.0005 -2.6307
|
|
Ag 2.00384 29.22820 4.17289 -0.0023 -0.0023 -0.0023 -2.8831
|
|
Ag 2.51720 26.88678 13.08861 -0.0020 -0.0020 -0.0020 -2.4707
|
|
Ag -3.07562 23.84202 5.28422 0.0010 0.0010 0.0010 -2.3718
|
|
Ag 5.62679 27.66264 10.23769 0.0000 0.0000 0.0000 -2.3656
|
|
Ag 3.48537 33.51872 6.21025 0.0017 0.0017 0.0017 -2.5018
|
|
Ag -2.94873 26.00382 1.97407 0.0013 0.0013 0.0013 -2.3593
|
|
Ag -2.15214 30.91305 12.88820 0.0034 0.0034 0.0034 -2.4882
|
|
Ag -1.37492 24.08768 3.12628 0.0018 0.0018 0.0018 -2.3860
|