103 lines
10 KiB
Plaintext
103 lines
10 KiB
Plaintext
100
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 3.93971 0.11582 1.10669 0.0013 0.0013 0.0013 -2.8452
|
|
Ag 0.21020 2.44021 -3.48234 0.0010 0.0010 0.0010 -2.8884
|
|
Ag -4.18410 2.49975 3.75683 0.0012 0.0012 0.0012 -2.4132
|
|
Ag -3.85127 -4.06767 -0.25398 0.0011 0.0011 0.0011 -2.6338
|
|
Ag -1.30652 2.53121 6.04835 -0.0037 -0.0037 -0.0037 -2.4316
|
|
Ag 2.93502 2.25752 5.65173 -0.0007 -0.0007 -0.0007 -2.5050
|
|
Ag -1.32633 1.62889 -5.76284 0.0019 0.0019 0.0019 -2.6608
|
|
Ag -4.99108 -3.65865 2.32167 -0.0032 -0.0032 -0.0032 -2.3736
|
|
Ag -0.62363 5.72170 3.38058 -0.0026 -0.0026 -0.0026 -2.4274
|
|
Ag -1.92633 -3.32258 4.73516 0.0001 0.0001 0.0001 -2.4317
|
|
Ag -3.26085 0.86621 -0.69050 -0.0002 -0.0002 -0.0002 -2.8754
|
|
Ag 0.92822 5.05159 -3.64641 -0.0013 -0.0013 -0.0013 -2.4956
|
|
Ag -3.96962 -1.64944 3.50717 -0.0021 -0.0021 -0.0021 -2.5496
|
|
Ag -2.92702 -1.85021 -1.80755 -0.0018 -0.0018 -0.0018 -2.9400
|
|
Ag 5.85550 -2.97600 0.17886 -0.0009 -0.0009 -0.0009 -2.5250
|
|
Ag -0.10670 1.00110 1.64403 -0.0017 -0.0017 -0.0017 -2.8801
|
|
Ag -1.48482 2.80950 3.37120 0.0027 0.0027 0.0027 -2.8402
|
|
Ag -2.20904 -3.23769 2.00794 0.0001 0.0001 0.0001 -2.8402
|
|
Ag 1.80809 -3.33019 -0.68947 -0.0013 -0.0013 -0.0013 -2.9009
|
|
Ag -5.75565 0.16822 2.17861 0.0003 0.0003 0.0003 -2.4600
|
|
Ag 1.09659 6.50375 1.37769 0.0011 0.0011 0.0011 -2.3736
|
|
Ag -4.05374 4.82511 -3.30287 -0.0047 -0.0047 -0.0047 -2.3160
|
|
Ag -4.42120 -2.77258 -4.09342 0.0000 0.0000 0.0000 -2.3613
|
|
Ag 4.75936 3.20178 1.15312 0.0027 0.0027 0.0027 -2.5191
|
|
Ag 0.86194 -2.92108 -5.48097 0.0009 0.0009 0.0009 -2.3839
|
|
Ag 3.92309 -1.46388 -1.07464 -0.0006 -0.0006 -0.0006 -2.7449
|
|
Ag 4.41100 -0.20465 -3.75532 -0.0004 -0.0004 -0.0004 -2.5645
|
|
Ag 6.63919 -0.18221 0.11466 0.0011 0.0011 0.0011 -2.3555
|
|
Ag 2.31195 2.25695 0.13493 -0.0003 -0.0003 -0.0003 -2.8589
|
|
Ag -0.49791 -5.12782 3.14811 -0.0007 -0.0007 -0.0007 -2.5430
|
|
Ag 0.86478 1.33648 7.29502 -0.0002 -0.0002 -0.0002 -2.2583
|
|
Ag -5.15750 2.43656 -2.04446 0.0025 0.0025 0.0025 -2.5453
|
|
Ag 2.82362 4.96354 -0.08219 -0.0019 -0.0019 -0.0019 -2.5707
|
|
Ag -2.26900 3.02262 -2.18751 -0.0000 -0.0000 -0.0000 -2.8976
|
|
Ag 6.12194 -2.00241 -2.49993 0.0008 0.0008 0.0008 -2.3259
|
|
Ag -2.91613 0.68081 2.07706 0.0010 0.0010 0.0010 -2.8853
|
|
Ag 0.27078 3.86200 -1.17373 -0.0018 -0.0018 -0.0018 -2.9149
|
|
Ag -5.70005 -2.48891 -1.64328 0.0010 0.0010 0.0010 -2.4778
|
|
Ag -4.10006 -1.47950 0.72927 -0.0017 -0.0017 -0.0017 -2.8852
|
|
Ag 1.94566 0.50323 -2.31355 -0.0009 -0.0009 -0.0009 -2.8115
|
|
Ag 6.02655 -1.36245 2.60073 0.0013 0.0013 0.0013 -2.5310
|
|
Ag -2.97125 4.40566 4.98239 -0.0012 -0.0012 -0.0012 -2.2066
|
|
Ag 0.81939 3.53779 -5.92389 -0.0007 -0.0007 -0.0007 -2.3524
|
|
Ag 3.03182 4.84096 2.80541 -0.0006 -0.0006 -0.0006 -2.4978
|
|
Ag -1.53142 -2.27140 -4.20137 0.0031 0.0031 0.0031 -2.7563
|
|
Ag 6.27506 1.25419 2.20943 -0.0009 -0.0009 -0.0009 -2.3428
|
|
Ag -2.99696 5.08819 2.43074 0.0001 0.0001 0.0001 -2.4369
|
|
Ag -0.78039 -6.28005 -1.62381 -0.0011 -0.0011 -0.0011 -2.3415
|
|
Ag 0.60854 -2.90566 1.84444 -0.0012 -0.0012 -0.0012 -2.9090
|
|
Ag -3.87232 2.12251 -4.51105 0.0032 0.0032 0.0032 -2.5476
|
|
Ag -1.85498 3.06050 0.64881 0.0024 0.0024 0.0024 -2.9072
|
|
Ag 2.67212 -1.09288 -6.19770 -0.0006 -0.0006 -0.0006 -2.4020
|
|
Ag -0.76279 -0.92513 -6.53206 -0.0010 -0.0010 -0.0010 -2.4152
|
|
Ag 0.84503 3.71812 4.42787 0.0017 0.0017 0.0017 -2.6129
|
|
Ag -1.23490 5.78051 0.40506 0.0005 0.0005 0.0005 -2.6406
|
|
Ag -6.19645 -0.00420 -0.75495 0.0012 0.0012 0.0012 -2.5041
|
|
Ag -0.91352 -3.61236 -0.42404 -0.0019 -0.0019 -0.0019 -2.9093
|
|
Ag 0.33201 -4.10142 -2.99375 0.0007 0.0007 0.0007 -2.6877
|
|
Ag 2.18966 -0.63058 3.21967 0.0003 0.0003 0.0003 -2.8546
|
|
Ag -1.00289 -1.20930 3.29453 -0.0002 -0.0002 -0.0002 -2.8337
|
|
Ag 1.54558 -0.64692 0.28671 -0.0009 -0.0009 -0.0009 -2.8915
|
|
Ag 2.73680 1.83289 -4.72301 0.0025 0.0025 0.0025 -2.5653
|
|
Ag 2.39669 -4.71263 2.93051 0.0024 0.0024 0.0024 -2.5135
|
|
Ag -2.60772 0.37145 4.74112 -0.0010 -0.0010 -0.0010 -2.5641
|
|
Ag -6.80800 -2.09763 0.90395 0.0009 0.0009 0.0009 -2.2741
|
|
Ag -4.91255 -0.24618 -3.18482 -0.0010 -0.0010 -0.0010 -2.6399
|
|
Ag 0.01107 -1.49385 -1.96997 -0.0032 -0.0032 -0.0032 -2.8948
|
|
Ag -1.53393 5.67064 -2.40208 -0.0008 -0.0008 -0.0008 -2.5776
|
|
Ag -1.26559 -1.05928 0.54243 0.0022 0.0022 0.0022 -2.8555
|
|
Ag 4.96543 3.19054 3.91070 0.0007 0.0007 0.0007 -2.3568
|
|
Ag 1.21420 -2.66936 4.77382 0.0012 0.0012 0.0012 -2.5767
|
|
Ag -1.72308 4.12934 -4.78171 -0.0027 -0.0027 -0.0027 -2.5617
|
|
Ag 0.84867 6.58357 -1.33522 0.0007 0.0007 0.0007 -2.3833
|
|
Ag -0.27490 -0.84529 6.34360 0.0012 0.0012 0.0012 -2.3984
|
|
Ag -2.04687 -5.87436 0.91623 0.0001 0.0001 0.0001 -2.5026
|
|
Ag -2.00741 0.34852 -3.38666 -0.0007 -0.0007 -0.0007 -2.8783
|
|
Ag 1.27427 1.15867 -6.83340 -0.0029 -0.0029 -0.0029 -2.3325
|
|
Ag 2.48343 -1.94963 -3.11366 -0.0014 -0.0014 -0.0014 -2.6684
|
|
Ag 4.14544 -4.04054 -2.25686 -0.0005 -0.0005 -0.0005 -2.5746
|
|
Ag -4.83690 2.41860 0.80675 -0.0001 -0.0001 -0.0001 -2.5670
|
|
Ag -3.19705 -5.35553 3.49007 0.0025 0.0025 0.0025 -2.2689
|
|
Ag 4.48773 1.23354 -1.42918 -0.0016 -0.0016 -0.0016 -2.6156
|
|
Ag -3.39858 -0.52601 -5.50358 -0.0029 -0.0029 -0.0029 -2.4661
|
|
Ag 0.70717 -0.14106 -4.47022 0.0008 0.0008 0.0008 -2.8188
|
|
Ag 0.77650 -5.57800 0.75155 -0.0002 -0.0002 -0.0002 -2.6835
|
|
Ag 2.46708 -0.52539 5.95958 -0.0009 -0.0009 -0.0009 -2.5724
|
|
Ag 3.40047 -2.56287 1.50796 0.0035 0.0035 0.0035 -2.8591
|
|
Ag 2.76053 3.30896 -2.42185 -0.0005 -0.0005 -0.0005 -2.6200
|
|
Ag 2.52244 2.04057 2.85773 -0.0005 -0.0005 -0.0005 -2.9078
|
|
Ag -2.56806 -4.42378 -2.73120 0.0007 0.0007 0.0007 -2.5021
|
|
Ag 4.19352 -2.20092 4.53264 0.0019 0.0019 0.0019 -2.4546
|
|
Ag 0.47446 1.02235 4.54799 -0.0028 -0.0028 -0.0028 -2.8527
|
|
Ag 3.56800 -5.28087 0.28653 -0.0023 -0.0023 -0.0023 -2.4708
|
|
Ag 5.10839 -4.27864 2.60161 0.0018 0.0018 0.0018 -2.2853
|
|
Ag 4.53874 0.42685 4.18280 -0.0008 -0.0008 -0.0008 -2.6427
|
|
Ag -3.79426 4.66963 -0.57095 0.0020 0.0020 0.0020 -2.5264
|
|
Ag -0.63347 1.00845 -1.21500 -0.0008 -0.0008 -0.0008 -2.8183
|
|
Ag 0.56100 3.82685 1.62327 0.0017 0.0017 0.0017 -2.8928
|
|
Ag 4.30867 -2.86540 -4.80242 -0.0016 -0.0016 -0.0016 -2.2525
|
|
Ag 2.09518 -5.89586 -1.67248 -0.0037 -0.0037 -0.0037 -2.3185
|