78 lines
7.5 KiB
Plaintext
78 lines
7.5 KiB
Plaintext
75
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 1.91700 -0.67816 5.72272 -0.0036 -0.0036 -0.0036 -2.0954
|
|
Ag 1.14997 -4.04660 0.52816 -0.0033 -0.0033 -0.0033 -2.6533
|
|
Ag -0.21444 -0.13794 -5.27954 -0.0018 -0.0018 -0.0018 -2.4577
|
|
Ag -6.04739 -0.84186 -2.19765 -0.0058 -0.0058 -0.0058 -2.1732
|
|
Ag -3.17177 5.63920 0.92168 -0.0014 -0.0014 -0.0014 -2.2510
|
|
Ag 1.84875 -1.84892 -4.94768 -0.0017 -0.0017 -0.0017 -2.3845
|
|
Ag 1.77305 7.18996 1.40265 -0.0075 -0.0075 -0.0075 -2.3801
|
|
Ag 2.64792 -2.52360 -1.49270 0.0058 0.0058 0.0058 -2.7324
|
|
Ag -5.00568 -3.77768 1.77441 -0.0001 -0.0001 -0.0001 -2.0335
|
|
Ag -5.03339 3.07718 0.01395 0.0084 0.0084 0.0084 -2.2312
|
|
Ag 2.07671 1.72986 4.58834 -0.0011 -0.0011 -0.0011 -2.2777
|
|
Ag 3.50377 -1.22696 1.31055 -0.0059 -0.0059 -0.0059 -2.4443
|
|
Ag -0.58870 -2.22152 4.54581 0.0024 0.0024 0.0024 -2.2799
|
|
Ag -5.17911 -1.36779 0.53932 -0.0046 -0.0046 -0.0046 -2.5450
|
|
Ag -1.72072 -5.66703 0.05561 -0.0013 -0.0013 -0.0013 -2.2014
|
|
Ag -3.78991 0.97532 1.18166 -0.0041 -0.0041 -0.0041 -2.7633
|
|
Ag -6.48618 0.90566 0.86860 -0.0001 -0.0001 -0.0001 -2.1846
|
|
Ag -2.86442 -0.81286 -0.71928 -0.0041 -0.0041 -0.0041 -2.6487
|
|
Ag 4.12292 -3.74580 0.29211 -0.0015 -0.0015 -0.0015 -2.4600
|
|
Ag 3.85744 4.25280 3.97665 0.0004 0.0004 0.0004 -1.9039
|
|
Ag -3.04980 1.56601 3.78302 -0.0045 -0.0045 -0.0045 -2.5318
|
|
Ag 2.95419 -7.80206 0.66187 0.0031 0.0031 0.0031 -1.8815
|
|
Ag -1.89952 4.76674 3.18251 0.0005 0.0005 0.0005 -2.4929
|
|
Ag 0.19025 -4.76912 2.98858 -0.0019 -0.0019 -0.0019 -2.3267
|
|
Ag 0.11033 1.39679 -0.10418 -0.0008 -0.0008 -0.0008 -2.6713
|
|
Ag -0.34592 5.68123 1.01358 -0.0001 -0.0001 -0.0001 -2.5480
|
|
Ag 3.27218 -5.84557 -1.08906 0.0015 0.0015 0.0015 -2.4022
|
|
Ag -0.62250 -3.47276 -1.26277 0.0005 0.0005 0.0005 -2.6745
|
|
Ag 1.62827 0.03850 -2.91587 0.0029 0.0029 0.0029 -2.8746
|
|
Ag -3.00585 -3.33016 0.13582 -0.0009 -0.0009 -0.0009 -2.5925
|
|
Ag -0.16331 -3.27937 -3.93191 -0.0000 -0.0000 -0.0000 -2.4962
|
|
Ag -0.84519 0.11773 4.79309 0.0042 0.0042 0.0042 -2.2244
|
|
Ag -0.93233 2.95730 4.84128 0.0032 0.0032 0.0032 -2.2692
|
|
Ag 2.10027 -3.19328 4.17119 0.0020 0.0020 0.0020 -2.2128
|
|
Ag -3.30946 0.07842 -3.09276 0.0066 0.0066 0.0066 -2.3806
|
|
Ag 1.19311 2.92189 -2.06732 -0.0031 -0.0031 -0.0031 -2.6579
|
|
Ag -0.89951 -1.02911 -2.68813 -0.0007 -0.0007 -0.0007 -2.7500
|
|
Ag 1.72887 4.07151 0.57885 0.0014 0.0014 0.0014 -2.6179
|
|
Ag -1.48860 4.42306 -1.55169 -0.0049 -0.0049 -0.0049 -2.2060
|
|
Ag 5.20832 -1.34310 -0.73704 0.0034 0.0034 0.0034 -2.4104
|
|
Ag -5.83206 -3.56996 -2.40493 0.0018 0.0018 0.0018 -1.9629
|
|
Ag 3.66825 0.98788 -0.63393 0.0026 0.0026 0.0026 -2.3806
|
|
Ag 0.30235 -7.26010 -0.75661 -0.0025 -0.0025 -0.0025 -2.0426
|
|
Ag -0.61175 -2.13184 1.73005 0.0025 0.0025 0.0025 -2.7634
|
|
Ag -1.66886 3.21128 1.08262 0.0010 0.0010 0.0010 -2.7598
|
|
Ag 1.27603 2.34050 -4.73142 -0.0044 -0.0044 -0.0044 -2.3502
|
|
Ag 0.71698 -5.56158 -2.75972 -0.0047 -0.0047 -0.0047 -2.3002
|
|
Ag 1.35744 5.41916 3.34134 -0.0045 -0.0045 -0.0045 -2.4838
|
|
Ag 4.01577 3.13324 0.36007 0.0032 0.0032 0.0032 -2.0384
|
|
Ag -5.30685 0.09879 3.23743 -0.0026 -0.0026 -0.0026 -2.2526
|
|
Ag 4.83157 -4.15292 -2.34207 0.0053 0.0053 0.0053 -2.2686
|
|
Ag 0.47738 2.73981 2.58871 0.0071 0.0071 0.0071 -2.6550
|
|
Ag -3.15365 -1.43650 2.59591 0.0012 0.0012 0.0012 -2.7250
|
|
Ag -3.04024 -3.34904 -2.91950 -0.0021 -0.0021 -0.0021 -2.5290
|
|
Ag -1.05616 0.43008 2.21197 -0.0035 -0.0035 -0.0035 -2.7332
|
|
Ag 2.82950 -4.11314 -4.05088 -0.0019 -0.0019 -0.0019 -2.3089
|
|
Ag -2.24872 -4.01371 2.86767 -0.0011 -0.0011 -0.0011 -2.3709
|
|
Ag -4.97076 -2.07536 -4.36951 -0.0010 -0.0010 -0.0010 -2.2108
|
|
Ag -2.38510 -1.91817 -5.12866 0.0046 0.0046 0.0046 -2.3215
|
|
Ag -4.31079 3.63027 2.54272 0.0012 0.0012 0.0012 -2.3777
|
|
Ag -3.18888 1.97809 -1.56184 0.0023 0.0023 0.0023 -2.3676
|
|
Ag 4.39205 6.44982 2.71414 -0.0015 -0.0015 -0.0015 -1.9884
|
|
Ag 4.06426 6.24895 0.06005 -0.0027 -0.0027 -0.0027 -2.2158
|
|
Ag 2.29438 1.12952 1.55891 -0.0052 -0.0052 -0.0052 -2.5466
|
|
Ag 4.27305 -1.49892 -3.34826 0.0035 0.0035 0.0035 -2.5361
|
|
Ag 3.65512 2.29111 -3.19150 0.0009 0.0009 0.0009 -2.4816
|
|
Ag 1.37206 6.27352 -0.96540 0.0026 0.0026 0.0026 -2.3163
|
|
Ag 3.11167 0.42388 -5.25138 0.0024 0.0024 0.0024 -2.2960
|
|
Ag 2.76422 -5.56543 1.94427 -0.0017 -0.0017 -0.0017 -2.2554
|
|
Ag 5.54923 0.56994 -2.52943 -0.0012 -0.0012 -0.0012 -2.1480
|
|
Ag -0.55030 7.29856 2.93117 -0.0023 -0.0023 -0.0023 -2.0852
|
|
Ag 1.43134 -0.84659 3.06211 -0.0048 -0.0048 -0.0048 -2.6761
|
|
Ag 3.12479 5.04927 -2.51226 0.0005 0.0005 0.0005 -2.1281
|
|
Ag 0.91038 -1.05413 -0.25721 0.0016 0.0016 0.0016 -2.6760
|
|
Ag -1.09813 1.63104 -3.29389 0.0012 0.0012 0.0012 -2.5527
|