53 lines
5.0 KiB
Plaintext
53 lines
5.0 KiB
Plaintext
50
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 1.84184 0.32306 -2.40654 0.0009 0.0009 0.0009 -2.7710
|
|
Ag 1.35284 -1.28803 2.14599 -0.0036 -0.0036 -0.0036 -2.8157
|
|
Ag -2.65407 -4.20972 0.46248 -0.0015 -0.0015 -0.0015 -2.3670
|
|
Ag 0.56388 4.03136 1.16108 -0.0027 -0.0027 -0.0027 -2.5713
|
|
Ag 2.91510 -0.36892 -4.80046 -0.0002 -0.0002 -0.0002 -2.2718
|
|
Ag -4.59777 -0.03541 0.03652 0.0019 0.0019 0.0019 -2.5573
|
|
Ag -1.52493 -3.36563 3.19736 -0.0001 -0.0001 -0.0001 -2.4566
|
|
Ag 0.38186 1.43754 1.87775 -0.0010 -0.0010 -0.0010 -2.8753
|
|
Ag 0.64027 1.49998 -4.60631 0.0014 0.0014 0.0014 -2.4861
|
|
Ag -2.74443 -1.15206 4.53682 -0.0018 -0.0018 -0.0018 -2.2930
|
|
Ag 4.16467 -1.05057 -2.25494 -0.0003 -0.0003 -0.0003 -2.3483
|
|
Ag 2.24423 -2.51469 -3.16723 -0.0003 -0.0003 -0.0003 -2.3153
|
|
Ag -4.17576 2.66749 0.51506 0.0048 0.0048 0.0048 -2.2873
|
|
Ag 0.75980 3.44597 3.97468 0.0022 0.0022 0.0022 -2.2604
|
|
Ag -0.03835 -1.54456 4.55912 0.0051 0.0051 0.0051 -2.5603
|
|
Ag 4.08128 1.64119 -2.43171 0.0005 0.0005 0.0005 -2.3677
|
|
Ag -2.06056 1.02667 0.10838 0.0006 0.0006 0.0006 -2.8897
|
|
Ag 2.06205 3.37099 -2.95962 0.0011 0.0011 0.0011 -2.4085
|
|
Ag 0.56125 4.95744 -1.38937 -0.0016 -0.0016 -0.0016 -2.2775
|
|
Ag 2.98612 3.45314 -0.30381 0.0016 0.0016 0.0016 -2.5581
|
|
Ag 3.72824 -2.74567 2.38014 0.0027 0.0027 0.0027 -2.3468
|
|
Ag -1.28782 0.99455 4.03174 0.0009 0.0009 0.0009 -2.5237
|
|
Ag -2.86306 -3.72888 -2.27542 -0.0006 -0.0006 -0.0006 -2.3420
|
|
Ag 1.64386 0.80198 4.21867 -0.0028 -0.0028 -0.0028 -2.5696
|
|
Ag -1.00508 0.21735 -2.41891 -0.0030 -0.0030 -0.0030 -2.8744
|
|
Ag -1.17921 2.96413 -3.09939 -0.0012 -0.0012 -0.0012 -2.5270
|
|
Ag 0.25640 -1.26296 -4.67078 -0.0011 -0.0011 -0.0011 -2.4488
|
|
Ag 5.47083 -0.80023 0.80915 0.0008 0.0008 0.0008 -2.1850
|
|
Ag -3.94691 -2.16956 1.85371 -0.0013 -0.0013 -0.0013 -2.5146
|
|
Ag 2.83628 2.56978 2.27660 0.0079 0.0079 0.0079 -2.5464
|
|
Ag -1.81523 3.81830 -0.36516 0.0030 0.0030 0.0030 -2.5406
|
|
Ag 2.79411 -2.08351 -0.12384 -0.0026 -0.0026 -0.0026 -2.5923
|
|
Ag 1.27296 -3.65602 3.37887 -0.0002 -0.0002 -0.0002 -2.3694
|
|
Ag -1.76217 3.19006 2.42477 -0.0009 -0.0009 -0.0009 -2.5058
|
|
Ag 5.27009 1.82789 0.38464 0.0010 0.0010 0.0010 -2.2253
|
|
Ag -0.02794 -3.25298 0.77590 -0.0004 -0.0004 -0.0004 -2.6258
|
|
Ag -3.49264 1.58783 -2.21894 -0.0009 -0.0009 -0.0009 -2.5351
|
|
Ag 0.33851 -0.67557 -0.21067 0.0005 0.0005 0.0005 -2.8294
|
|
Ag 2.79142 -1.65705 4.64490 -0.0004 -0.0004 -0.0004 -2.3367
|
|
Ag -2.12397 0.97154 -4.69909 -0.0012 -0.0012 -0.0012 -2.3209
|
|
Ag -4.92074 -2.93499 -0.66721 0.0003 0.0003 0.0003 -2.3343
|
|
Ag -0.26667 -2.62454 -2.12522 0.0018 0.0018 0.0018 -2.6247
|
|
Ag -3.51637 0.78097 2.54037 0.0016 0.0016 0.0016 -2.5561
|
|
Ag 0.40170 2.17052 -0.94162 -0.0009 -0.0009 -0.0009 -2.9240
|
|
Ag -2.19575 -1.77241 -4.06958 -0.0032 -0.0032 -0.0032 -2.3771
|
|
Ag 4.00897 0.13444 2.78947 0.0017 0.0017 0.0017 -2.5275
|
|
Ag -4.33773 -1.16145 -2.66298 -0.0023 -0.0023 -0.0023 -2.3986
|
|
Ag 2.75980 0.65198 0.19307 0.0005 0.0005 0.0005 -2.9065
|
|
Ag -1.29759 -0.90917 2.08059 -0.0013 -0.0013 -0.0013 -2.8712
|
|
Ag -2.45597 -1.73386 -0.65134 -0.0028 -0.0028 -0.0028 -2.8523
|