62 lines
5.9 KiB
Plaintext
62 lines
5.9 KiB
Plaintext
59
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -0.80799 2.17148 0.29068 0.0047 0.0047 0.0047 -2.7355
|
|
Ag -2.62800 -0.42937 -4.18901 -0.0067 -0.0067 -0.0067 -2.5015
|
|
Ag 2.46840 -3.73141 -0.29113 -0.0013 -0.0013 -0.0013 -2.6063
|
|
Ag 3.34663 2.33470 -2.10077 -0.0032 -0.0032 -0.0032 -2.0588
|
|
Ag -1.76507 2.84178 -2.20288 0.0011 0.0011 0.0011 -2.8190
|
|
Ag -2.03366 0.56249 2.41037 -0.0030 -0.0030 -0.0030 -2.5520
|
|
Ag 1.79219 2.61969 2.76619 0.0036 0.0036 0.0036 -2.2492
|
|
Ag -1.87802 4.54044 0.05595 0.0100 0.0100 0.0100 -2.1555
|
|
Ag -3.97119 3.53235 -0.68425 0.0007 0.0007 0.0007 -2.2796
|
|
Ag -0.31169 1.38290 -4.48004 -0.0065 -0.0065 -0.0065 -2.3124
|
|
Ag 2.80747 -3.45441 -3.23512 -0.0111 -0.0111 -0.0111 -2.3371
|
|
Ag 0.31597 -4.09018 -5.21170 0.0014 0.0014 0.0014 -1.9953
|
|
Ag -1.70864 -3.09858 -3.63840 -0.0002 -0.0002 -0.0002 -2.5134
|
|
Ag -1.86444 -3.07112 2.76108 -0.0028 -0.0028 -0.0028 -2.3091
|
|
Ag 1.59179 -2.89592 4.30637 -0.0033 -0.0033 -0.0033 -2.4737
|
|
Ag -6.27171 1.62827 -0.76996 0.0049 0.0049 0.0049 -2.2213
|
|
Ag 4.75486 -2.29310 -1.04053 0.0007 0.0007 0.0007 -2.3035
|
|
Ag -3.11428 2.96085 1.87623 -0.0017 -0.0017 -0.0017 -2.2960
|
|
Ag 1.41327 -1.18408 -3.40879 0.0032 0.0032 0.0032 -2.4143
|
|
Ag 2.55841 2.34741 0.46114 0.0094 0.0094 0.0094 -2.3800
|
|
Ag -0.02038 1.75107 4.33819 -0.0050 -0.0050 -0.0050 -2.1848
|
|
Ag 2.29712 -0.94819 -0.77626 -0.0071 -0.0071 -0.0071 -2.7637
|
|
Ag -4.68621 3.67723 -3.65631 -0.0018 -0.0018 -0.0018 -2.1211
|
|
Ag 1.97259 -1.97440 1.83337 0.0053 0.0053 0.0053 -2.7328
|
|
Ag 2.04473 0.05250 3.72649 -0.0027 -0.0027 -0.0027 -2.4862
|
|
Ag 6.45487 -3.98696 2.75380 0.0039 0.0039 0.0039 -1.7459
|
|
Ag -6.68539 -0.61211 -2.61248 0.0058 0.0058 0.0058 -2.2088
|
|
Ag 4.71901 0.81647 -0.35101 0.0026 0.0026 0.0026 -2.2264
|
|
Ag 2.16007 -4.67475 2.47531 -0.0023 -0.0023 -0.0023 -2.4616
|
|
Ag -0.11218 -3.95975 0.84632 0.0028 0.0028 0.0028 -2.6000
|
|
Ag 2.15894 -5.05521 5.60764 -0.0005 -0.0005 -0.0005 -1.9479
|
|
Ag -2.77504 0.46639 -0.54303 -0.0053 -0.0053 -0.0053 -2.7351
|
|
Ag -0.50702 0.15240 -2.05073 -0.0011 -0.0011 -0.0011 -2.7215
|
|
Ag -0.10840 5.08068 -3.32230 -0.0032 -0.0032 -0.0032 -2.0864
|
|
Ag 0.53676 -4.90298 -2.52890 -0.0038 -0.0038 -0.0038 -2.3040
|
|
Ag -0.02563 -2.53647 -1.47121 0.0031 0.0031 0.0031 -2.7375
|
|
Ag -7.15227 1.78455 -3.58180 -0.0028 -0.0028 -0.0028 -1.9745
|
|
Ag 0.89290 3.47034 -1.64869 0.0031 0.0031 0.0031 -2.4969
|
|
Ag -2.28513 5.75882 -2.05086 0.0033 0.0033 0.0033 -2.1435
|
|
Ag -4.54365 1.00861 -2.82138 -0.0081 -0.0081 -0.0081 -2.6978
|
|
Ag -0.24884 -4.89610 3.64724 0.0021 0.0021 0.0021 -2.1933
|
|
Ag 0.36499 6.15914 -0.86009 -0.0008 -0.0008 -0.0008 -2.2008
|
|
Ag 4.67473 -2.39425 1.61441 0.0021 0.0021 0.0021 -2.4276
|
|
Ag 4.22477 -4.07083 4.20587 -0.0004 -0.0004 -0.0004 -2.3206
|
|
Ag 3.82941 -0.74640 -3.15416 0.0022 0.0022 0.0022 -2.1688
|
|
Ag -2.35772 -4.89791 -1.65301 -0.0018 -0.0018 -0.0018 -2.1181
|
|
Ag 1.32345 4.80028 1.19272 0.0019 0.0019 0.0019 -2.2730
|
|
Ag -4.20992 -2.05179 -2.63237 0.0102 0.0102 0.0102 -2.4133
|
|
Ag -3.88885 -1.44047 2.17734 -0.0069 -0.0069 -0.0069 -2.1936
|
|
Ag -0.72686 3.83823 2.73062 -0.0003 -0.0003 -0.0003 -2.3681
|
|
Ag 4.32162 1.19477 2.51389 -0.0095 -0.0095 -0.0095 -2.1728
|
|
Ag 4.42752 -1.16932 4.05015 0.0007 0.0007 0.0007 -2.2309
|
|
Ag -2.18954 -2.05848 0.18585 -0.0008 -0.0008 -0.0008 -2.6299
|
|
Ag -0.41226 -1.29384 -5.41037 -0.0026 -0.0026 -0.0026 -2.2640
|
|
Ag -0.14746 -0.52760 0.72016 -0.0017 -0.0017 -0.0017 -2.7322
|
|
Ag -2.81026 2.28323 -4.94763 -0.0040 -0.0040 -0.0040 -2.2078
|
|
Ag -4.86788 -3.97536 -0.95766 -0.0049 -0.0049 -0.0049 -1.9145
|
|
Ag -5.21848 -0.88891 -0.21622 -0.0031 -0.0031 -0.0031 -2.4373
|
|
Ag -0.34595 -1.13429 3.72414 -0.0022 -0.0022 -0.0022 -2.4581
|