47 lines
4.4 KiB
Plaintext
47 lines
4.4 KiB
Plaintext
44
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 24.02926 -21.64303 34.66856 -0.0011 -0.0011 -0.0011 -2.8730
|
|
Ag 27.35854 -20.58714 38.03048 0.0013 0.0013 0.0013 -2.3271
|
|
Ag 21.31211 -21.30744 34.21042 0.0040 0.0040 0.0040 -2.5653
|
|
Ag 25.94214 -19.84391 32.83331 0.0037 0.0037 0.0037 -2.8980
|
|
Ag 27.76664 -14.95039 36.62006 -0.0015 -0.0015 -0.0015 -2.2222
|
|
Ag 22.60654 -20.19406 36.85830 0.0007 0.0007 0.0007 -2.5283
|
|
Ag 24.10238 -18.83016 35.07819 -0.0018 -0.0018 -0.0018 -2.8650
|
|
Ag 24.85043 -21.81412 37.43258 0.0009 0.0009 0.0009 -2.5159
|
|
Ag 24.67276 -24.21497 35.11464 0.0017 0.0017 0.0017 -2.3267
|
|
Ag 24.01897 -22.57292 32.03647 -0.0022 -0.0022 -0.0022 -2.5467
|
|
Ag 21.68333 -17.07273 32.42942 0.0025 0.0025 0.0025 -2.4559
|
|
Ag 24.52569 -17.32075 32.86115 0.0004 0.0004 0.0004 -2.8184
|
|
Ag 21.43464 -22.11316 31.56291 0.0004 0.0004 0.0004 -2.3448
|
|
Ag 25.19831 -16.48303 36.81403 0.0004 0.0004 0.0004 -2.5264
|
|
Ag 24.97399 -15.93225 30.60902 0.0003 0.0003 0.0003 -2.2814
|
|
Ag 25.01207 -18.92059 30.24094 -0.0035 -0.0035 -0.0035 -2.5588
|
|
Ag 23.19417 -19.77263 32.62729 -0.0002 -0.0002 -0.0002 -2.9174
|
|
Ag 21.37516 -18.59485 34.72524 -0.0038 -0.0038 -0.0038 -2.5465
|
|
Ag 26.64555 -20.18725 35.56612 0.0023 0.0023 0.0023 -2.8034
|
|
Ag 22.50231 -23.03867 36.39495 -0.0049 -0.0049 -0.0049 -2.3113
|
|
Ag 28.13250 -15.15309 33.82249 -0.0027 -0.0027 -0.0027 -2.4391
|
|
Ag 26.23552 -21.52662 30.75923 -0.0019 -0.0019 -0.0019 -2.3868
|
|
Ag 26.92711 -17.47600 34.93802 -0.0039 -0.0039 -0.0039 -2.9112
|
|
Ag 25.15036 -19.05363 37.67694 0.0005 0.0005 0.0005 -2.5994
|
|
Ag 22.80905 -17.55510 37.34921 0.0016 0.0016 0.0016 -2.3076
|
|
Ag 29.00526 -19.31522 36.23750 -0.0001 -0.0001 -0.0001 -2.3874
|
|
Ag 29.90379 -16.87269 32.86321 -0.0001 -0.0001 -0.0001 -2.1382
|
|
Ag 26.33602 -22.78942 33.38898 0.0005 0.0005 0.0005 -2.5565
|
|
Ag 23.30907 -14.90004 32.46439 0.0030 0.0030 0.0030 -2.3069
|
|
Ag 28.59434 -19.15587 33.52679 0.0032 0.0032 0.0032 -2.6651
|
|
Ag 27.73464 -19.47942 30.57307 0.0008 0.0008 0.0008 -2.2875
|
|
Ag 22.85833 -16.29886 34.88340 -0.0021 -0.0021 -0.0021 -2.5707
|
|
Ag 23.29108 -21.04906 29.90915 -0.0004 -0.0004 -0.0004 -2.3403
|
|
Ag 27.64395 -17.50050 37.70125 0.0011 0.0011 0.0011 -2.4553
|
|
Ag 29.53687 -16.77717 35.51938 0.0037 0.0037 0.0037 -2.4112
|
|
Ag 27.13312 -17.09209 32.04326 -0.0026 -0.0026 -0.0026 -2.7113
|
|
Ag 22.23099 -23.85905 33.60948 -0.0020 -0.0020 -0.0020 -2.3272
|
|
Ag 26.95609 -22.91425 36.18341 -0.0008 -0.0008 -0.0008 -2.3925
|
|
Ag 20.59566 -19.53159 32.07683 0.0034 0.0034 0.0034 -2.3594
|
|
Ag 29.11945 -21.56616 35.04276 0.0016 0.0016 0.0016 -2.2896
|
|
Ag 26.40683 -14.04943 32.25536 0.0013 0.0013 0.0013 -2.1355
|
|
Ag 25.40247 -15.17204 34.45842 -0.0002 -0.0002 -0.0002 -2.5860
|
|
Ag 28.68295 -21.48589 32.36531 0.0013 0.0013 0.0013 -2.2958
|
|
Ag 22.44733 -18.38384 30.25196 0.0002 0.0002 0.0002 -2.3260
|