82 lines
7.9 KiB
Plaintext
82 lines
7.9 KiB
Plaintext
79
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -3.33297 -0.10041 4.09664 -0.0032 -0.0032 -0.0032 -2.0814
|
|
Ag -1.58295 5.37014 6.19934 0.0023 0.0023 0.0023 -1.8974
|
|
Ag 4.18943 3.14515 1.79787 0.0025 0.0025 0.0025 -2.6404
|
|
Ag 1.32464 -4.38686 -0.49304 0.0009 0.0009 0.0009 -1.9764
|
|
Ag 3.26547 2.74973 -2.59401 0.0035 0.0035 0.0035 -2.2408
|
|
Ag -2.56805 2.73512 -5.68602 -0.0020 -0.0020 -0.0020 -2.2908
|
|
Ag -4.18704 0.40340 -1.45756 -0.0004 -0.0004 -0.0004 -2.4279
|
|
Ag 4.05710 5.23660 3.55310 -0.0083 -0.0083 -0.0083 -2.0945
|
|
Ag -1.45100 -0.04729 0.20246 0.0030 0.0030 0.0030 -2.5546
|
|
Ag -3.62006 4.22074 -1.00355 -0.0026 -0.0026 -0.0026 -2.1545
|
|
Ag 3.19794 -1.56530 -4.38250 -0.0002 -0.0002 -0.0002 -2.1129
|
|
Ag 7.44833 -0.49257 2.35502 -0.0032 -0.0032 -0.0032 -1.8200
|
|
Ag -3.99118 -5.78799 -4.38892 -0.0024 -0.0024 -0.0024 -2.0582
|
|
Ag 4.63099 -0.15419 5.22212 -0.0038 -0.0038 -0.0038 -2.1792
|
|
Ag -4.33612 0.54378 -4.68634 -0.0013 -0.0013 -0.0013 -2.3600
|
|
Ag -5.53428 -3.98713 -3.46974 -0.0010 -0.0010 -0.0010 -2.2527
|
|
Ag -0.96979 3.22304 2.39208 -0.0025 -0.0025 -0.0025 -2.6450
|
|
Ag -3.73713 -7.74906 0.17964 -0.0027 -0.0027 -0.0027 -2.0135
|
|
Ag -0.28698 2.85513 5.84378 0.0071 0.0071 0.0071 -2.4584
|
|
Ag 3.03987 0.58419 3.16580 -0.0011 -0.0011 -0.0011 -2.5207
|
|
Ag -1.57931 -4.17546 -0.01915 0.0024 0.0024 0.0024 -2.5622
|
|
Ag -1.55459 0.57527 -4.69714 0.0011 0.0011 0.0011 -2.4097
|
|
Ag 2.85767 -2.41069 -1.75068 -0.0053 -0.0053 -0.0053 -2.4712
|
|
Ag 0.11575 3.15525 -3.38679 0.0008 0.0008 0.0008 -2.5404
|
|
Ag -2.62396 -2.25455 1.94851 -0.0015 -0.0015 -0.0015 -2.4098
|
|
Ag 0.71483 5.79728 -1.05719 -0.0006 -0.0006 -0.0006 -2.0849
|
|
Ag -3.03416 2.20488 0.62348 0.0029 0.0029 0.0029 -2.6456
|
|
Ag -2.68138 -6.90335 -2.66672 -0.0052 -0.0052 -0.0052 -2.1611
|
|
Ag 5.65528 2.42760 -0.30385 -0.0074 -0.0074 -0.0074 -2.2265
|
|
Ag 8.90581 3.84321 2.04724 -0.0037 -0.0037 -0.0037 -1.9345
|
|
Ag -2.40905 2.22924 -2.43308 -0.0065 -0.0065 -0.0065 -2.6487
|
|
Ag -0.13639 -2.68442 6.00867 0.0014 0.0014 0.0014 -1.9753
|
|
Ag 7.98717 1.60610 0.89739 -0.0031 -0.0031 -0.0031 -2.1508
|
|
Ag 2.83913 -2.11018 2.52380 0.0023 0.0023 0.0023 -2.3928
|
|
Ag 0.18431 -1.69287 3.51999 0.0039 0.0039 0.0039 -2.5784
|
|
Ag 4.29525 -1.50364 0.25930 -0.0025 -0.0025 -0.0025 -2.3530
|
|
Ag -2.63605 3.38143 4.53928 -0.0001 -0.0001 -0.0001 -2.3309
|
|
Ag 0.76142 -0.76826 -3.91513 0.0050 0.0050 0.0050 -2.3674
|
|
Ag -3.38095 -3.36063 -1.75119 0.0000 0.0000 0.0000 -2.5712
|
|
Ag 0.55621 0.81123 4.21290 0.0021 0.0021 0.0021 -2.4900
|
|
Ag 5.18751 0.47977 1.58505 -0.0070 -0.0070 -0.0070 -2.4849
|
|
Ag 3.13707 1.06472 -0.05473 0.0056 0.0056 0.0056 -2.7431
|
|
Ag -1.94377 -3.65428 -4.11832 -0.0040 -0.0040 -0.0040 -2.5182
|
|
Ag 6.95576 5.44310 2.84207 -0.0032 -0.0032 -0.0032 -1.9035
|
|
Ag -4.40587 -2.50284 -5.31979 0.0025 0.0025 0.0025 -2.3320
|
|
Ag -5.07655 -6.15466 -1.89937 0.0014 0.0014 0.0014 -2.2481
|
|
Ag -1.67454 -5.73440 2.24845 0.0004 0.0004 0.0004 -2.1170
|
|
Ag -5.60431 -1.07110 -3.08177 0.0020 0.0020 0.0020 -2.2365
|
|
Ag -2.18588 -2.26494 4.84310 0.0099 0.0099 0.0099 -2.0443
|
|
Ag 0.68367 -4.71530 2.07041 -0.0002 -0.0002 -0.0002 -2.0944
|
|
Ag 2.24949 1.19782 5.92996 0.0029 0.0029 0.0029 -2.3064
|
|
Ag 0.21190 3.11133 -6.30330 -0.0007 -0.0007 -0.0007 -2.0395
|
|
Ag -2.94421 4.43774 -3.73660 -0.0019 -0.0019 -0.0019 -2.0200
|
|
Ag 0.10898 0.31319 6.94866 -0.0004 -0.0004 -0.0004 -2.1108
|
|
Ag 1.38284 5.02681 1.72728 -0.0004 -0.0004 -0.0004 -2.6081
|
|
Ag -0.21743 -4.79373 -2.12384 -0.0002 -0.0002 -0.0002 -1.9179
|
|
Ag 2.19954 -1.37707 5.09992 -0.0045 -0.0045 -0.0045 -2.4947
|
|
Ag 1.32344 2.11104 1.69032 -0.0046 -0.0046 -0.0046 -2.7710
|
|
Ag -4.13084 -5.17088 0.25416 0.0032 0.0032 0.0032 -2.2518
|
|
Ag -1.30005 0.82860 -7.31161 0.0068 0.0068 0.0068 -2.0779
|
|
Ag -1.73083 -1.47078 -5.94882 0.0041 0.0041 0.0041 -2.2133
|
|
Ag -0.27621 -2.21015 -1.91342 0.0026 0.0026 0.0026 -2.6824
|
|
Ag -1.49334 0.63607 2.58348 -0.0030 -0.0030 -0.0030 -2.4316
|
|
Ag 7.09542 2.86708 3.66481 -0.0010 -0.0010 -0.0010 -2.1612
|
|
Ag 2.16524 3.63799 -0.50607 0.0009 0.0009 0.0009 -2.4553
|
|
Ag -2.75024 -1.20488 -3.16678 0.0084 0.0084 0.0084 -2.6963
|
|
Ag 1.84391 3.73060 4.33121 -0.0027 -0.0027 -0.0027 -2.5986
|
|
Ag 1.15224 -1.06943 0.48495 0.0019 0.0019 0.0019 -2.6664
|
|
Ag -4.16907 -0.20310 1.24774 -0.0020 -0.0020 -0.0020 -2.2953
|
|
Ag -0.39169 3.19745 -0.23913 0.0002 0.0002 0.0002 -2.7467
|
|
Ag -1.14815 5.62252 0.88503 0.0017 0.0017 0.0017 -2.4329
|
|
Ag 2.05106 1.66322 -4.67869 0.0029 0.0029 0.0029 -2.3531
|
|
Ag 4.11963 2.37239 4.32147 -0.0038 -0.0038 -0.0038 -2.3150
|
|
Ag -0.08149 0.91347 -1.79210 0.0000 0.0000 0.0000 -2.6484
|
|
Ag 2.32008 0.18856 -2.38327 -0.0003 -0.0003 -0.0003 -2.2776
|
|
Ag -3.32975 4.65254 2.21989 -0.0025 -0.0025 -0.0025 -2.2506
|
|
Ag 4.70791 -0.66755 -2.56729 0.0000 0.0000 0.0000 -2.1443
|
|
Ag -0.56880 5.40079 3.78520 0.0036 0.0036 0.0036 -2.4177
|
|
Ag -0.98347 -6.71296 -0.18169 0.0061 0.0061 0.0061 -2.3594
|