66 lines
6.3 KiB
Plaintext
66 lines
6.3 KiB
Plaintext
63
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 3.23389 -2.29321 3.36641 -0.0056 -0.0056 -0.0056 -2.2331
|
|
Ag -0.47597 -0.36193 -0.01070 -0.0037 -0.0037 -0.0037 -2.7397
|
|
Ag 3.75235 -3.24575 0.54674 -0.0020 -0.0020 -0.0020 -2.3987
|
|
Ag -4.55759 0.12695 -3.02693 0.0011 0.0011 0.0011 -2.2086
|
|
Ag -0.79545 0.69157 3.54721 -0.0028 -0.0028 -0.0028 -2.3183
|
|
Ag -1.05308 -5.52437 1.59818 -0.0015 -0.0015 -0.0015 -2.2461
|
|
Ag 1.35267 -2.32126 1.18938 -0.0060 -0.0060 -0.0060 -2.6060
|
|
Ag -5.51275 -3.89596 -1.89697 0.0094 0.0094 0.0094 -2.2503
|
|
Ag 2.12919 -1.82153 -4.51286 0.0006 0.0006 0.0006 -2.2553
|
|
Ag 2.96836 1.40569 1.90960 0.0013 0.0013 0.0013 -2.3802
|
|
Ag 0.80518 -5.32044 -0.30731 -0.0032 -0.0032 -0.0032 -2.2993
|
|
Ag 4.88211 2.84843 -1.62953 0.0028 0.0028 0.0028 -2.2086
|
|
Ag 4.74441 -0.71909 1.60316 -0.0012 -0.0012 -0.0012 -2.4829
|
|
Ag 1.60641 -0.30363 2.92325 -0.0030 -0.0030 -0.0030 -2.1378
|
|
Ag 3.68778 0.32906 -3.60474 -0.0026 -0.0026 -0.0026 -2.3200
|
|
Ag -1.76597 5.78975 -0.60838 -0.0010 -0.0010 -0.0010 -2.2014
|
|
Ag 1.55815 1.80590 4.29610 0.0031 0.0031 0.0031 -2.2870
|
|
Ag 6.04820 -1.26619 3.74650 -0.0069 -0.0069 -0.0069 -1.5888
|
|
Ag 2.13414 2.29251 -2.38869 0.0015 0.0015 0.0015 -2.6200
|
|
Ag -0.65143 4.51679 2.14311 0.0027 0.0027 0.0027 -2.4401
|
|
Ag 4.16125 -2.04578 -1.99162 -0.0051 -0.0051 -0.0051 -2.3458
|
|
Ag -3.96878 1.67854 3.51330 -0.0088 -0.0088 -0.0088 -1.8575
|
|
Ag -1.95545 -0.68807 -3.12192 0.0014 0.0014 0.0014 -2.6421
|
|
Ag 0.13034 3.92933 -0.68544 0.0004 0.0004 0.0004 -2.6698
|
|
Ag -3.50909 -1.77427 -1.13922 0.0044 0.0044 0.0044 -2.5835
|
|
Ag -0.37197 5.69286 -2.85031 -0.0073 -0.0073 -0.0073 -2.2476
|
|
Ag -0.50820 -4.79493 -2.51414 0.0022 0.0022 0.0022 -2.4750
|
|
Ag 1.76394 -3.07195 -1.75101 0.0005 0.0005 0.0005 -2.6344
|
|
Ag -0.38014 -2.65150 -4.24836 -0.0010 -0.0010 -0.0010 -2.4668
|
|
Ag -0.04078 0.08068 -4.99952 0.0026 0.0026 0.0026 -2.3758
|
|
Ag 2.51504 -4.47105 2.58795 -0.0088 -0.0088 -0.0088 -1.9202
|
|
Ag -2.35306 3.75890 -2.99580 0.0001 0.0001 0.0001 -2.3705
|
|
Ag -5.19019 1.51700 0.14554 -0.0010 -0.0010 -0.0010 -2.1555
|
|
Ag 1.84843 4.95073 5.52712 -0.0042 -0.0042 -0.0042 -1.6989
|
|
Ag -2.95154 -7.48545 1.19576 -0.0060 -0.0060 -0.0060 -2.0614
|
|
Ag -2.84344 0.67529 -0.95420 0.0003 0.0003 0.0003 -2.5606
|
|
Ag 0.43809 2.19802 1.46422 0.0030 0.0030 0.0030 -2.7348
|
|
Ag 0.97053 -0.35218 -2.37149 -0.0061 -0.0061 -0.0061 -2.7333
|
|
Ag 5.47967 1.90646 0.85037 -0.0003 -0.0003 -0.0003 -2.2377
|
|
Ag -6.32758 -3.87987 0.67311 0.0028 0.0028 0.0028 -2.0941
|
|
Ag -2.50010 1.24880 -4.75568 -0.0031 -0.0031 -0.0031 -2.2234
|
|
Ag -3.70783 -5.63654 -2.42050 -0.0015 -0.0015 -0.0015 -2.2522
|
|
Ag 2.09195 5.00188 -2.09655 -0.0028 -0.0028 -0.0028 -2.2888
|
|
Ag 2.45328 4.11716 2.90598 0.0029 0.0029 0.0029 -2.4915
|
|
Ag 3.11811 3.55404 0.34717 0.0041 0.0041 0.0041 -2.5651
|
|
Ag 1.53137 -0.47297 5.56326 0.0052 0.0052 0.0052 -1.9103
|
|
Ag 1.47468 5.63227 0.74006 -0.0016 -0.0016 -0.0016 -2.4038
|
|
Ag -1.77887 -6.90796 -1.13578 0.0023 0.0023 0.0023 -2.3272
|
|
Ag -2.44431 -1.81781 1.28056 -0.0000 -0.0000 -0.0000 -2.4197
|
|
Ag 1.14852 6.33706 3.32985 0.0034 0.0034 0.0034 -2.0821
|
|
Ag -0.63870 1.76124 -2.05293 -0.0009 -0.0009 -0.0009 -2.7296
|
|
Ag 5.60749 0.18608 -1.44638 0.0057 0.0057 0.0057 -2.2643
|
|
Ag -2.87323 -3.23309 -3.32641 0.0022 0.0022 0.0022 -2.5050
|
|
Ag -2.86044 3.27971 -0.46549 0.0047 0.0047 0.0047 -2.5351
|
|
Ag -2.27626 -4.18449 -0.22489 -0.0037 -0.0037 -0.0037 -2.6334
|
|
Ag -0.86106 -2.48421 -1.42576 0.0005 0.0005 0.0005 -2.5787
|
|
Ag -2.38818 1.37070 1.56727 -0.0045 -0.0045 -0.0045 -2.5462
|
|
Ag -0.02018 3.13096 -4.26640 -0.0016 -0.0016 -0.0016 -2.3287
|
|
Ag -3.70223 -4.37013 2.02039 0.0018 0.0018 0.0018 -2.2740
|
|
Ag -3.76700 3.85716 2.02584 -0.0005 -0.0005 -0.0005 -2.1117
|
|
Ag -4.60031 -5.80881 0.02280 0.0039 0.0039 0.0039 -2.3779
|
|
Ag -5.83811 -1.31583 -0.06272 -0.0065 -0.0065 -0.0065 -2.1226
|
|
Ag 2.70246 -0.28263 -0.47286 -0.0030 -0.0030 -0.0030 -2.7342
|