96 lines
9.3 KiB
Plaintext
96 lines
9.3 KiB
Plaintext
93
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -0.35702 -3.31911 -1.18562 -0.0012 -0.0012 -0.0012 -2.9349
|
|
Ag -1.69392 3.44880 -4.71065 0.0036 0.0036 0.0036 -2.5547
|
|
Ag -2.83401 -4.90901 -1.53250 -0.0002 -0.0002 -0.0002 -2.6733
|
|
Ag -1.20512 -4.92477 0.93344 -0.0018 -0.0018 -0.0018 -2.7036
|
|
Ag 1.10480 3.68440 -4.97932 -0.0016 -0.0016 -0.0016 -2.4887
|
|
Ag 3.65236 -2.80766 4.14560 0.0004 0.0004 0.0004 -2.3564
|
|
Ag 4.96157 -1.63872 -1.17062 -0.0017 -0.0017 -0.0017 -2.6168
|
|
Ag 3.63378 2.34544 5.14574 -0.0007 -0.0007 -0.0007 -2.3396
|
|
Ag -1.98639 -0.93259 -1.47704 0.0042 0.0042 0.0042 -2.9064
|
|
Ag -1.15075 -5.42609 3.68225 0.0006 0.0006 0.0006 -2.3798
|
|
Ag 4.69058 2.98231 -0.36672 0.0002 0.0002 0.0002 -2.4737
|
|
Ag -3.71507 3.80200 4.10368 0.0001 0.0001 0.0001 -2.4501
|
|
Ag 1.41901 -0.85752 -5.84048 0.0007 0.0007 0.0007 -2.6448
|
|
Ag 0.28823 1.06231 6.19127 -0.0007 -0.0007 -0.0007 -2.5468
|
|
Ag -3.80358 -4.53385 2.39527 -0.0009 -0.0009 -0.0009 -2.4500
|
|
Ag 0.90213 3.95494 2.41751 0.0013 0.0013 0.0013 -2.8690
|
|
Ag 1.35107 -5.63201 -0.80670 0.0013 0.0013 0.0013 -2.5603
|
|
Ag -1.10132 2.72606 3.91804 -0.0030 -0.0030 -0.0030 -2.8735
|
|
Ag 3.16333 5.10489 1.00399 0.0000 0.0000 0.0000 -2.4701
|
|
Ag -2.02424 2.48483 6.49006 0.0025 0.0025 0.0025 -2.2884
|
|
Ag -5.02639 -1.50730 0.97830 0.0014 0.0014 0.0014 -2.4288
|
|
Ag 3.86584 -2.05777 1.54026 0.0043 0.0043 0.0043 -2.7352
|
|
Ag -2.00168 1.83634 -0.89178 -0.0012 -0.0012 -0.0012 -2.9263
|
|
Ag 3.02739 -1.36957 -3.58208 0.0021 0.0021 0.0021 -2.9031
|
|
Ag -1.62140 4.93795 5.36844 0.0042 0.0042 0.0042 -2.3366
|
|
Ag -1.43395 -1.22056 -5.57472 -0.0031 -0.0031 -0.0031 -2.5531
|
|
Ag 0.13996 -1.93524 5.54573 -0.0003 -0.0003 -0.0003 -2.5362
|
|
Ag -2.47568 4.43128 -2.15206 -0.0013 -0.0013 -0.0013 -2.6409
|
|
Ag 2.04304 -3.81226 -2.76060 -0.0003 -0.0003 -0.0003 -2.6254
|
|
Ag 3.04147 4.73952 3.84088 -0.0004 -0.0004 -0.0004 -2.4272
|
|
Ag -2.08271 -3.06167 -3.56137 -0.0022 -0.0022 -0.0022 -2.6766
|
|
Ag -0.78621 -0.01128 3.72483 0.0012 0.0012 0.0012 -2.8820
|
|
Ag -0.98051 -6.86920 -0.77230 0.0015 0.0015 0.0015 -2.3193
|
|
Ag -3.24134 -1.52561 3.43387 0.0006 0.0006 0.0006 -2.5696
|
|
Ag 0.46850 -3.28009 -4.94638 0.0008 0.0008 0.0008 -2.5074
|
|
Ag 1.19449 3.73555 5.59661 -0.0005 -0.0005 -0.0005 -2.5320
|
|
Ag -1.22200 6.50053 -1.00680 -0.0011 -0.0011 -0.0011 -2.3180
|
|
Ag 0.12083 3.19157 -2.37838 -0.0003 -0.0003 -0.0003 -2.9070
|
|
Ag 0.27296 -1.36671 -3.11876 0.0012 0.0012 0.0012 -2.8942
|
|
Ag -0.51467 -5.38984 -3.15354 -0.0012 -0.0012 -0.0012 -2.4326
|
|
Ag -4.60848 0.05234 -1.32239 0.0036 0.0036 0.0036 -2.6145
|
|
Ag 3.32392 0.72931 -1.50270 -0.0001 -0.0001 -0.0001 -2.8795
|
|
Ag -0.30630 -1.28359 0.69376 0.0002 0.0002 0.0002 -2.8879
|
|
Ag 3.73275 2.63647 2.26296 -0.0030 -0.0030 -0.0030 -2.7133
|
|
Ag 0.96504 6.59181 1.59077 0.0019 0.0019 0.0019 -2.3158
|
|
Ag 4.07766 -0.66925 -6.17470 -0.0049 -0.0049 -0.0049 -2.3572
|
|
Ag -3.44918 5.18933 0.27099 -0.0003 -0.0003 -0.0003 -2.4785
|
|
Ag -3.67645 2.10115 -3.19045 0.0021 0.0021 0.0021 -2.5781
|
|
Ag 1.26430 -4.23015 3.87474 0.0016 0.0016 0.0016 -2.5813
|
|
Ag 0.58328 6.02220 4.20048 -0.0007 -0.0007 -0.0007 -2.3750
|
|
Ag -4.55045 -2.75499 -2.07181 0.0006 0.0006 0.0006 -2.4591
|
|
Ag 3.81633 -4.01938 -0.44716 0.0005 0.0005 0.0005 -2.5408
|
|
Ag 2.03006 -1.86919 -0.92946 -0.0012 -0.0012 -0.0012 -2.9040
|
|
Ag -2.72974 -0.00329 1.15027 -0.0002 -0.0002 -0.0002 -2.8727
|
|
Ag 4.07027 0.01490 3.38396 -0.0015 -0.0015 -0.0015 -2.6328
|
|
Ag 3.10778 -3.21851 -5.58095 -0.0001 -0.0001 -0.0001 -2.3492
|
|
Ag 5.97873 0.74583 -1.94587 0.0006 0.0006 0.0006 -2.3450
|
|
Ag 1.87614 2.91885 -0.02956 0.0006 0.0006 0.0006 -2.8677
|
|
Ag 0.70040 0.82897 -0.97345 0.0054 0.0054 0.0054 -2.8210
|
|
Ag -3.57998 -0.65519 -3.79252 0.0004 0.0004 0.0004 -2.5842
|
|
Ag 2.43460 -0.45382 5.51499 -0.0006 -0.0006 -0.0006 -2.4671
|
|
Ag 1.29806 5.39169 -1.27997 0.0020 0.0020 0.0020 -2.5678
|
|
Ag 1.60393 1.14584 -3.72504 0.0039 0.0039 0.0039 -2.9281
|
|
Ag 4.45376 -3.94787 -3.44821 -0.0027 -0.0027 -0.0027 -2.2191
|
|
Ag -5.32742 3.99408 1.81581 -0.0009 -0.0009 -0.0009 -2.2496
|
|
Ag 1.58152 1.50298 3.62574 -0.0011 -0.0011 -0.0011 -2.8939
|
|
Ag -0.11034 1.47687 -5.98681 0.0020 0.0020 0.0020 -2.5674
|
|
Ag 2.86492 1.92069 -6.09117 0.0012 0.0012 0.0012 -2.3286
|
|
Ag -1.24839 0.89137 -3.48644 -0.0008 -0.0008 -0.0008 -2.9025
|
|
Ag -2.58090 -3.59324 4.96653 0.0005 0.0005 0.0005 -2.2380
|
|
Ag -3.47061 1.04511 3.78897 0.0008 0.0008 0.0008 -2.6204
|
|
Ag -3.27899 -6.48041 0.79350 0.0009 0.0009 0.0009 -2.2622
|
|
Ag -1.73327 5.13233 2.49324 0.0003 0.0003 0.0003 -2.6720
|
|
Ag 3.42176 -4.91007 2.15786 0.0026 0.0026 0.0026 -2.3616
|
|
Ag 5.00147 0.36652 0.69324 -0.0054 -0.0054 -0.0054 -2.5655
|
|
Ag 2.36366 0.36413 1.20824 -0.0046 -0.0046 -0.0046 -2.8798
|
|
Ag -0.78886 4.10850 0.14916 0.0006 0.0006 0.0006 -2.8653
|
|
Ag -5.14620 1.25873 1.53687 0.0018 0.0018 0.0018 -2.4886
|
|
Ag -2.92054 2.77203 1.59612 -0.0018 -0.0018 -0.0018 -2.8510
|
|
Ag 1.55248 -1.41450 3.14447 -0.0042 -0.0042 -0.0042 -2.8567
|
|
Ag 0.84501 -6.38055 1.84441 -0.0032 -0.0032 -0.0032 -2.4088
|
|
Ag 1.28074 -3.57377 1.14154 -0.0004 -0.0004 -0.0004 -2.9094
|
|
Ag -2.24358 -0.40358 5.96742 -0.0015 -0.0015 -0.0015 -2.3961
|
|
Ag 5.76242 -1.23155 -3.91916 0.0007 0.0007 0.0007 -2.3595
|
|
Ag 4.43518 1.32236 -3.99180 0.0024 0.0024 0.0024 -2.5570
|
|
Ag -2.81216 -2.84100 0.40201 -0.0025 -0.0025 -0.0025 -2.8474
|
|
Ag 2.95216 3.42439 -2.61918 0.0021 0.0021 0.0021 -2.6205
|
|
Ag -0.88839 -2.78562 2.94278 0.0017 0.0017 0.0017 -2.8412
|
|
Ag -5.10521 -4.46480 0.01306 0.0000 0.0000 0.0000 -2.3308
|
|
Ag -4.79175 2.75454 -0.83011 0.0012 0.0012 0.0012 -2.5037
|
|
Ag -0.51862 5.54140 -3.68113 -0.0002 -0.0002 -0.0002 -2.3415
|
|
Ag -2.96224 1.07320 -5.83708 -0.0026 -0.0026 -0.0026 -2.3224
|
|
Ag -0.41205 1.50769 1.36748 0.0007 0.0007 0.0007 -2.9012
|