77 lines
7.4 KiB
Plaintext
77 lines
7.4 KiB
Plaintext
74
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -1.91417 -4.63543 2.21534 0.0017 0.0017 0.0017 -2.5706
|
|
Ag 3.54181 3.85896 -2.72047 -0.0002 -0.0002 -0.0002 -2.3734
|
|
Ag 2.45771 6.32745 2.17728 -0.0018 -0.0018 -0.0018 -2.2771
|
|
Ag -2.35959 -5.16022 -2.55617 0.0027 0.0027 0.0027 -2.3799
|
|
Ag 1.87641 -4.76442 0.25770 0.0000 0.0000 0.0000 -2.6205
|
|
Ag -1.85532 0.10200 -3.96701 0.0001 0.0001 0.0001 -2.6498
|
|
Ag -0.85011 -4.02483 -0.50959 -0.0014 -0.0014 -0.0014 -2.9140
|
|
Ag 2.64407 -0.98382 1.18806 -0.0004 -0.0004 -0.0004 -2.9235
|
|
Ag 1.68620 1.96208 -3.71571 -0.0004 -0.0004 -0.0004 -2.7138
|
|
Ag -4.22698 -0.77999 -2.48068 0.0016 0.0016 0.0016 -2.5469
|
|
Ag -4.99168 -1.13655 0.42630 -0.0027 -0.0027 -0.0027 -2.5490
|
|
Ag 4.91371 -0.24824 -0.52325 0.0003 0.0003 0.0003 -2.5444
|
|
Ag -1.38547 -1.52076 -1.70457 -0.0016 -0.0016 -0.0016 -2.9193
|
|
Ag 0.97177 -5.04726 2.96919 0.0036 0.0036 0.0036 -2.3537
|
|
Ag 3.69655 -1.41465 -2.57188 0.0013 0.0013 0.0013 -2.6111
|
|
Ag 1.15054 4.87900 -3.23719 -0.0001 -0.0001 -0.0001 -2.3191
|
|
Ag 1.68296 -0.04384 5.81255 0.0014 0.0014 0.0014 -2.3356
|
|
Ag -0.10408 2.42297 3.29803 0.0005 0.0005 0.0005 -2.8757
|
|
Ag -1.05260 0.40290 5.08997 -0.0017 -0.0017 -0.0017 -2.5848
|
|
Ag -4.61151 -3.86125 1.39941 -0.0005 -0.0005 -0.0005 -2.3459
|
|
Ag 1.75579 4.49013 4.14476 0.0018 0.0018 0.0018 -2.4832
|
|
Ag 1.19360 -2.70916 4.33319 -0.0014 -0.0014 -0.0014 -2.4797
|
|
Ag -0.36121 -6.42160 0.78057 -0.0034 -0.0034 -0.0034 -2.3659
|
|
Ag 3.55958 3.74325 2.18284 -0.0004 -0.0004 -0.0004 -2.5614
|
|
Ag -3.73477 -3.16589 -1.16399 -0.0037 -0.0037 -0.0037 -2.6379
|
|
Ag -3.07777 -5.74330 -0.01591 0.0052 0.0052 0.0052 -2.3785
|
|
Ag -2.76062 3.18658 2.60453 0.0056 0.0056 0.0056 -2.6131
|
|
Ag -5.65354 1.03056 -1.04367 -0.0027 -0.0027 -0.0027 -2.2935
|
|
Ag 1.31945 -2.35703 -1.09964 -0.0015 -0.0015 -0.0015 -2.9004
|
|
Ag 3.53219 -0.94780 3.81516 0.0002 0.0002 0.0002 -2.5560
|
|
Ag -1.04875 5.03341 3.29564 0.0007 0.0007 0.0007 -2.4909
|
|
Ag -3.95665 2.94101 -0.38236 0.0037 0.0037 0.0037 -2.4767
|
|
Ag -2.44626 -2.19922 0.89866 0.0020 0.0020 0.0020 -2.8320
|
|
Ag 1.36099 -1.45024 -7.15918 0.0021 0.0021 0.0021 -2.0812
|
|
Ag 3.90598 -3.09121 -0.36224 0.0000 0.0000 0.0000 -2.5501
|
|
Ag -4.60047 1.30395 1.83548 0.0027 0.0027 0.0027 -2.5545
|
|
Ag 2.21523 -2.65960 -4.64191 -0.0001 -0.0001 -0.0001 -2.4782
|
|
Ag -4.22781 -1.45950 2.96113 -0.0001 -0.0001 -0.0001 -2.4622
|
|
Ag -0.13164 -0.36795 0.39462 -0.0007 -0.0007 -0.0007 -2.9164
|
|
Ag 4.43339 0.91612 1.89214 -0.0015 -0.0015 -0.0015 -2.5837
|
|
Ag 4.30789 1.21186 -2.92909 -0.0029 -0.0029 -0.0029 -2.4692
|
|
Ag 5.22958 -1.84527 1.66380 -0.0038 -0.0038 -0.0038 -2.3390
|
|
Ag -3.73075 1.10072 4.38801 0.0011 0.0011 0.0011 -2.3571
|
|
Ag -1.98368 5.04818 0.64913 -0.0001 -0.0001 -0.0001 -2.5368
|
|
Ag -2.04831 0.25771 2.35005 -0.0022 -0.0022 -0.0022 -2.9188
|
|
Ag 0.89050 -0.16869 3.29379 0.0033 0.0033 0.0033 -2.7150
|
|
Ag -0.75782 2.95694 -4.04748 0.0045 0.0045 0.0045 -2.4079
|
|
Ag 3.86357 2.32813 -0.46152 -0.0011 -0.0011 -0.0011 -2.6418
|
|
Ag -1.51018 -2.20314 3.54159 -0.0008 -0.0008 -0.0008 -2.5920
|
|
Ag -0.18699 -3.73993 -3.37482 0.0009 0.0009 0.0009 -2.6930
|
|
Ag -3.40769 1.89047 -2.79522 0.0011 0.0011 0.0011 -2.5009
|
|
Ag 0.04481 -6.22979 -2.09277 -0.0011 -0.0011 -0.0011 -2.2806
|
|
Ag -1.41157 3.95502 -1.74915 0.0016 0.0016 0.0016 -2.6112
|
|
Ag 0.83822 -0.69034 -3.30780 0.0002 0.0002 0.0002 -2.8965
|
|
Ag -1.96823 2.99676 5.15555 0.0004 0.0004 0.0004 -2.3689
|
|
Ag -0.16114 0.43269 -6.06770 0.0032 0.0032 0.0032 -2.2744
|
|
Ag 3.15721 5.10407 -0.20632 0.0001 0.0001 0.0001 -2.5090
|
|
Ag -2.77004 -2.69013 -3.85373 0.0000 0.0000 0.0000 -2.4763
|
|
Ag -2.92695 0.37835 -0.41371 0.0025 0.0025 0.0025 -2.8871
|
|
Ag 2.20361 0.46469 -1.21111 0.0005 0.0005 0.0005 -2.8766
|
|
Ag 0.45053 5.82109 -0.93656 -0.0011 -0.0011 -0.0011 -2.4742
|
|
Ag 2.74187 -0.07846 -5.21277 -0.0007 -0.0007 -0.0007 -2.4246
|
|
Ag -0.57506 -1.99611 -5.39392 0.0022 0.0022 0.0022 -2.4311
|
|
Ag -1.11223 2.34181 0.55753 0.0005 0.0005 0.0005 -2.9186
|
|
Ag -0.54018 1.28357 -1.88229 0.0013 0.0013 0.0013 -2.8405
|
|
Ag 1.83659 1.81640 1.33763 0.0017 0.0017 0.0017 -2.8247
|
|
Ag 2.40452 -4.35846 -2.49990 0.0007 0.0007 0.0007 -2.4324
|
|
Ag 1.23140 3.07717 -1.21214 -0.0041 -0.0041 -0.0041 -2.8863
|
|
Ag 0.78381 2.54320 5.90940 0.0004 0.0004 0.0004 -2.3745
|
|
Ag 0.39977 -2.80903 1.63243 -0.0018 -0.0018 -0.0018 -2.8793
|
|
Ag 3.24590 -3.28409 2.63162 0.0015 0.0015 0.0015 -2.5035
|
|
Ag 0.83729 4.37094 1.41155 0.0016 0.0016 0.0016 -2.8690
|
|
Ag -0.11519 6.95944 1.51318 -0.0026 -0.0026 -0.0026 -2.2536
|
|
Ag 2.49141 1.64702 3.79495 -0.0007 -0.0007 -0.0007 -2.5170
|