76 lines
7.3 KiB
Plaintext
76 lines
7.3 KiB
Plaintext
73
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -2.01426 3.52235 -2.55311 0.0009 0.0009 0.0009 -2.4766
|
|
Ag -4.72136 -5.63341 -2.68240 -0.0016 -0.0016 -0.0016 -1.8884
|
|
Ag 1.55614 1.36563 -2.68491 -0.0058 -0.0058 -0.0058 -2.4676
|
|
Ag -0.89238 1.44529 -3.48479 -0.0029 -0.0029 -0.0029 -2.5965
|
|
Ag -2.71604 -2.95036 3.78127 0.0061 0.0061 0.0061 -2.0840
|
|
Ag -4.67672 -3.51162 -4.22935 0.0050 0.0050 0.0050 -2.4821
|
|
Ag -1.25972 4.46490 1.26171 -0.0008 -0.0008 -0.0008 -2.3733
|
|
Ag -5.07013 -3.47416 -0.30822 0.0006 0.0006 0.0006 -2.1110
|
|
Ag -3.53044 -0.80328 -4.14221 -0.0009 -0.0009 -0.0009 -2.7497
|
|
Ag 4.01747 -1.58692 6.62774 -0.0001 -0.0001 -0.0001 -2.0559
|
|
Ag 1.42231 -2.64414 -3.82769 0.0049 0.0049 0.0049 -2.3010
|
|
Ag -4.71655 1.94638 -0.03588 0.0033 0.0033 0.0033 -2.2494
|
|
Ag -1.90014 -0.34261 5.94979 -0.0001 -0.0001 -0.0001 -2.0232
|
|
Ag 2.64100 -2.31026 0.42082 -0.0023 -0.0023 -0.0023 -2.6003
|
|
Ag 2.24127 0.70945 -0.28013 -0.0006 -0.0006 -0.0006 -2.5564
|
|
Ag -4.18631 1.93241 -2.69037 -0.0026 -0.0026 -0.0026 -2.4002
|
|
Ag -3.70948 1.67451 -5.28734 -0.0028 -0.0028 -0.0028 -2.2311
|
|
Ag 1.55108 -0.22591 -4.93081 -0.0018 -0.0018 -0.0018 -2.1970
|
|
Ag 2.87202 2.97810 4.17555 0.0027 0.0027 0.0027 -2.5578
|
|
Ag -0.43456 2.09910 -0.69466 0.0036 0.0036 0.0036 -2.5604
|
|
Ag 6.25526 -1.40093 5.38648 0.0006 0.0006 0.0006 -1.8893
|
|
Ag -4.20745 4.21587 -1.29231 -0.0016 -0.0016 -0.0016 -2.0045
|
|
Ag -2.21895 -2.13134 1.39410 -0.0017 -0.0017 -0.0017 -2.5379
|
|
Ag -2.30665 0.60179 -1.09625 0.0010 0.0010 0.0010 -2.5022
|
|
Ag 3.29976 -2.56132 3.93839 -0.0004 -0.0004 -0.0004 -2.5562
|
|
Ag 3.45265 1.68581 6.37827 0.0012 0.0012 0.0012 -2.0362
|
|
Ag -2.46640 1.09608 1.41113 0.0066 0.0066 0.0066 -2.5918
|
|
Ag 5.54555 1.60464 0.78805 -0.0025 -0.0025 -0.0025 -2.3078
|
|
Ag -1.89048 -3.30629 -3.97747 0.0021 0.0021 0.0021 -2.3604
|
|
Ag -3.39993 -2.38264 -6.27836 -0.0004 -0.0004 -0.0004 -2.3924
|
|
Ag -3.73487 -0.54772 3.03628 -0.0066 -0.0066 -0.0066 -2.3494
|
|
Ag 0.99172 -3.98371 2.02412 -0.0083 -0.0083 -0.0083 -2.4146
|
|
Ag -2.96421 1.58063 4.37115 0.0034 0.0034 0.0034 -2.2982
|
|
Ag -0.53578 -1.42651 -5.51559 -0.0060 -0.0060 -0.0060 -2.2787
|
|
Ag 4.71162 -2.04069 -1.40070 0.0008 0.0008 0.0008 -2.0928
|
|
Ag 1.50573 -5.69972 -0.30447 -0.0008 -0.0008 -0.0008 -1.8830
|
|
Ag 2.53378 -6.05496 2.29211 0.0029 0.0029 0.0029 -1.7828
|
|
Ag -2.43089 -0.01786 -7.17326 0.0053 0.0053 0.0053 -2.1291
|
|
Ag 3.23174 0.97356 2.25467 0.0030 0.0030 0.0030 -2.7183
|
|
Ag 3.82746 3.88257 1.72510 -0.0001 -0.0001 -0.0001 -2.6533
|
|
Ag -0.23993 -0.93899 -2.32028 -0.0058 -0.0058 -0.0058 -2.8051
|
|
Ag -0.79218 0.02708 3.62914 -0.0003 -0.0003 -0.0003 -2.4465
|
|
Ag 5.36666 -4.03095 3.23388 -0.0011 -0.0011 -0.0011 -1.9921
|
|
Ag -0.18697 -0.32083 0.51887 -0.0035 -0.0035 -0.0035 -2.7013
|
|
Ag -6.05256 -1.46692 -5.24829 0.0005 0.0005 0.0005 -2.2453
|
|
Ag 0.28709 -2.26666 4.72844 0.0078 0.0078 0.0078 -2.3175
|
|
Ag -2.19744 -5.09886 1.73935 -0.0025 -0.0025 -0.0025 -1.5767
|
|
Ag -0.16565 3.87724 -4.61582 -0.0066 -0.0066 -0.0066 -2.1110
|
|
Ag 2.58813 -0.98080 -2.11574 -0.0045 -0.0045 -0.0045 -2.3778
|
|
Ag 2.09344 -0.23654 5.03542 0.0002 0.0002 0.0002 -2.6002
|
|
Ag 0.81518 3.81233 -2.29779 0.0018 0.0018 0.0018 -2.3512
|
|
Ag -3.04920 -2.37649 -1.66192 0.0007 0.0007 0.0007 -2.5683
|
|
Ag 4.66624 -1.46156 1.86514 -0.0031 -0.0031 -0.0031 -2.4844
|
|
Ag 0.39831 5.23139 3.62307 0.0014 0.0014 0.0014 -2.3362
|
|
Ag -6.96418 -4.18889 -2.82714 0.0022 0.0022 0.0022 -1.9849
|
|
Ag 3.21976 5.79339 3.70553 0.0042 0.0042 0.0042 -2.1922
|
|
Ag 1.59198 5.57034 1.05246 0.0005 0.0005 0.0005 -2.2929
|
|
Ag 4.78772 0.46428 4.34832 -0.0003 -0.0003 -0.0003 -2.5237
|
|
Ag -5.01998 0.08224 -7.04151 -0.0062 -0.0062 -0.0062 -2.0933
|
|
Ag -2.38167 4.07592 3.61735 -0.0078 -0.0078 -0.0078 -2.1112
|
|
Ag -4.51898 -0.70798 0.20993 -0.0070 -0.0070 -0.0070 -2.5239
|
|
Ag 1.25622 -1.32734 2.45880 -0.0097 -0.0097 -0.0097 -2.5957
|
|
Ag -0.66395 5.70623 -0.98329 0.0007 0.0007 0.0007 -2.0919
|
|
Ag 5.98973 2.76749 3.11612 0.0055 0.0055 0.0055 -2.2337
|
|
Ag 2.40250 2.94513 -4.60158 -0.0085 -0.0085 -0.0085 -2.0351
|
|
Ag 0.77014 -3.16609 -1.08263 -0.0001 -0.0001 -0.0001 -2.3990
|
|
Ag 5.86408 5.54656 3.08858 0.0059 0.0059 0.0059 -1.8575
|
|
Ag 1.00655 3.03254 1.85783 -0.0019 -0.0019 -0.0019 -2.6754
|
|
Ag 4.60773 1.11291 -1.99551 -0.0008 -0.0008 -0.0008 -2.1958
|
|
Ag -5.65988 -1.52939 -2.55765 0.0018 0.0018 0.0018 -2.4537
|
|
Ag 5.12490 -3.66311 0.61798 -0.0027 -0.0027 -0.0027 -2.1229
|
|
Ag -0.31387 2.30097 4.18970 -0.0029 -0.0029 -0.0029 -2.3019
|
|
Ag 4.39141 3.36674 -0.93906 0.0028 0.0028 0.0028 -2.0531
|