60 lines
5.7 KiB
Plaintext
60 lines
5.7 KiB
Plaintext
57
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -5.84755 -2.52556 -0.26920 0.0030 0.0030 0.0030 -1.8982
|
|
Ag 0.16634 -4.89268 -4.57402 -0.0001 -0.0001 -0.0001 -1.9743
|
|
Ag -0.07658 1.88044 -3.69559 0.0028 0.0028 0.0028 -2.5766
|
|
Ag -2.52702 1.38109 -4.38907 0.0009 0.0009 0.0009 -2.2726
|
|
Ag -1.92497 2.83078 -1.77309 -0.0006 -0.0006 -0.0006 -2.5705
|
|
Ag 1.44477 2.32272 6.21702 0.0017 0.0017 0.0017 -2.0960
|
|
Ag 0.67682 7.79016 2.46560 -0.0012 -0.0012 -0.0012 -1.4477
|
|
Ag 2.75337 0.99100 -4.57812 0.0087 0.0087 0.0087 -2.2824
|
|
Ag -1.43113 -1.68901 2.95893 -0.0011 -0.0011 -0.0011 -2.5067
|
|
Ag -0.49665 3.24018 0.89114 0.0030 0.0030 0.0030 -2.7402
|
|
Ag 3.63638 -1.07541 4.28482 -0.0006 -0.0006 -0.0006 -2.2321
|
|
Ag -2.47038 -1.15150 -3.53075 0.0016 0.0016 0.0016 -2.4370
|
|
Ag 2.25367 -5.08614 2.59371 0.0014 0.0014 0.0014 -1.7997
|
|
Ag 3.80111 0.30691 -1.68338 -0.0036 -0.0036 -0.0036 -2.4615
|
|
Ag 0.84565 0.98028 -1.15003 -0.0043 -0.0043 -0.0043 -2.6492
|
|
Ag 4.49971 -2.54042 -1.01668 0.0037 0.0037 0.0037 -2.2284
|
|
Ag -2.26639 2.62902 2.92243 0.0032 0.0032 0.0032 -2.2034
|
|
Ag -2.01669 5.22143 2.04418 0.0041 0.0041 0.0041 -2.2124
|
|
Ag -0.35573 0.02830 -5.67485 0.0027 0.0027 0.0027 -2.3688
|
|
Ag 1.22319 5.39935 2.65595 0.0006 0.0006 0.0006 -2.1477
|
|
Ag 2.64169 2.60615 -2.58848 -0.0005 -0.0005 -0.0005 -2.2461
|
|
Ag 5.67176 0.12794 2.79929 -0.0020 -0.0020 -0.0020 -2.1765
|
|
Ag -3.62413 1.76575 0.49970 0.0017 0.0017 0.0017 -2.4165
|
|
Ag 0.85278 -3.04211 3.63976 0.0040 0.0040 0.0040 -2.2849
|
|
Ag -1.30004 -3.40755 -2.63178 0.0053 0.0053 0.0053 -2.4468
|
|
Ag 1.08819 -1.16729 1.89108 -0.0007 -0.0007 -0.0007 -2.7263
|
|
Ag 2.50458 3.02693 1.55907 -0.0024 -0.0024 -0.0024 -2.5126
|
|
Ag 4.02629 -2.05688 1.71476 0.0012 0.0012 0.0012 -2.3623
|
|
Ag 3.26601 0.45485 1.00794 -0.0028 -0.0028 -0.0028 -2.6610
|
|
Ag -3.52063 -1.34507 -0.52029 -0.0010 -0.0010 -0.0010 -2.5764
|
|
Ag 0.64985 4.03963 -1.45288 0.0039 0.0039 0.0039 -2.3223
|
|
Ag -0.91722 -2.21954 -0.24452 -0.0061 -0.0061 -0.0061 -2.7240
|
|
Ag 0.88260 -0.62478 -3.25184 -0.0004 -0.0004 -0.0004 -2.7457
|
|
Ag -1.25799 -4.31707 1.36242 0.0020 0.0020 0.0020 -2.1905
|
|
Ag -0.90523 -2.63229 -5.34333 0.0024 0.0024 0.0024 -2.2563
|
|
Ag 1.23549 5.05580 6.60659 -0.0002 -0.0002 -0.0002 -1.7044
|
|
Ag -3.38380 0.21928 3.04131 0.0026 0.0026 0.0026 -2.2268
|
|
Ag 2.18010 3.78637 4.27896 -0.0014 -0.0014 -0.0014 -2.2981
|
|
Ag -1.81593 5.22833 -0.87093 0.0017 0.0017 0.0017 -2.1700
|
|
Ag -1.40638 0.19203 -1.62299 0.0046 0.0046 0.0046 -2.5138
|
|
Ag 1.82361 -1.62026 -5.68316 -0.0049 -0.0049 -0.0049 -2.2082
|
|
Ag 1.10721 -4.03425 0.45434 -0.0000 -0.0000 -0.0000 -2.4228
|
|
Ag -4.38324 3.83132 -0.94441 -0.0008 -0.0008 -0.0008 -2.0500
|
|
Ag -1.42557 0.27821 1.14954 0.0054 0.0054 0.0054 -2.7595
|
|
Ag 2.44842 -4.32039 -1.77012 -0.0010 -0.0010 -0.0010 -2.2379
|
|
Ag 5.28925 2.35804 1.36561 0.0001 0.0001 0.0001 -2.0340
|
|
Ag -3.79917 1.10150 -1.89003 0.0038 0.0038 0.0038 -2.3069
|
|
Ag 3.39451 -1.80927 -3.22256 0.0067 0.0067 0.0067 -2.3909
|
|
Ag 0.93215 -0.60631 4.65052 0.0006 0.0006 0.0006 -2.3934
|
|
Ag 0.59381 1.77243 3.03287 0.0013 0.0013 0.0013 -2.7860
|
|
Ag -0.17858 -5.75866 -2.13878 -0.0018 -0.0018 -0.0018 -1.9855
|
|
Ag 1.91914 -1.68084 -0.82611 0.0014 0.0014 0.0014 -2.7892
|
|
Ag -4.65035 -4.09784 -2.34671 -0.0027 -0.0027 -0.0027 -1.6502
|
|
Ag 3.60363 1.60051 3.79531 -0.0079 -0.0079 -0.0079 -2.4904
|
|
Ag -3.74697 -3.79396 0.68665 0.0040 0.0040 0.0040 -2.1274
|
|
Ag -0.73541 3.95697 4.09114 0.0057 0.0057 0.0057 -2.1982
|
|
Ag -1.14657 0.89312 4.82481 0.0073 0.0073 0.0073 -2.3491
|