64 lines
6.1 KiB
Plaintext
64 lines
6.1 KiB
Plaintext
61
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -0.95011 1.76512 -4.21222 0.0025 0.0025 0.0025 -2.4629
|
|
Ag 1.39291 4.09654 -0.27621 0.0016 0.0016 0.0016 -2.7117
|
|
Ag -5.20823 3.38040 -0.80016 -0.0010 -0.0010 -0.0010 -2.2060
|
|
Ag 4.81786 -0.14616 -0.95842 -0.0050 -0.0050 -0.0050 -2.5504
|
|
Ag -2.96730 -4.65739 -2.18906 0.0016 0.0016 0.0016 -2.3023
|
|
Ag 0.83863 -5.62812 1.87515 -0.0032 -0.0032 -0.0032 -2.2871
|
|
Ag -4.91208 0.82273 -1.21266 0.0045 0.0045 0.0045 -2.3691
|
|
Ag -0.06178 -4.47917 -2.77969 0.0030 0.0030 0.0030 -2.5688
|
|
Ag -3.78609 1.87233 1.03696 -0.0008 -0.0008 -0.0008 -2.7031
|
|
Ag -0.56098 6.26009 -0.02165 -0.0031 -0.0031 -0.0031 -2.3548
|
|
Ag -1.30185 -4.07982 2.74506 0.0007 0.0007 0.0007 -2.5487
|
|
Ag -0.48066 4.58124 -2.20314 0.0019 0.0019 0.0019 -2.4624
|
|
Ag -1.89007 -2.66666 -3.92860 0.0009 0.0009 0.0009 -2.5476
|
|
Ag 0.59694 -0.85701 2.50434 -0.0005 -0.0005 -0.0005 -2.8276
|
|
Ag -3.58595 4.87025 1.40488 -0.0000 -0.0000 -0.0000 -2.3455
|
|
Ag 3.26545 3.64592 1.96573 -0.0023 -0.0023 -0.0023 -2.3774
|
|
Ag 1.36534 -3.19507 3.72173 0.0008 0.0008 0.0008 -2.5252
|
|
Ag -1.13796 1.25646 1.54964 0.0003 0.0003 0.0003 -2.8682
|
|
Ag -1.80386 -1.48810 1.50113 -0.0006 -0.0006 -0.0006 -2.8089
|
|
Ag 1.52359 -2.52215 -1.57783 -0.0000 -0.0000 -0.0000 -2.8328
|
|
Ag -1.39261 3.72403 0.41510 0.0008 0.0008 0.0008 -2.8640
|
|
Ag 5.39037 -1.51607 1.51249 0.0006 0.0006 0.0006 -2.2909
|
|
Ag 1.71873 -5.13385 -0.68492 -0.0004 -0.0004 -0.0004 -2.5124
|
|
Ag 1.15427 -0.90157 5.12656 -0.0018 -0.0018 -0.0018 -2.3364
|
|
Ag 0.19253 -0.55589 -0.12794 0.0003 0.0003 0.0003 -2.6803
|
|
Ag -4.14624 -2.22405 -1.96406 0.0037 0.0037 0.0037 -2.4097
|
|
Ag -1.38968 -1.76553 4.22665 0.0024 0.0024 0.0024 -2.5583
|
|
Ag 4.19518 0.97782 1.53594 0.0011 0.0011 0.0011 -2.5809
|
|
Ag -3.18727 -3.60571 0.68881 0.0005 0.0005 0.0005 -2.5462
|
|
Ag 0.48047 -3.20457 0.86001 -0.0001 -0.0001 -0.0001 -2.8655
|
|
Ag -3.08882 0.26515 3.28355 -0.0010 -0.0010 -0.0010 -2.5768
|
|
Ag 1.49535 1.49921 0.67340 0.0015 0.0015 0.0015 -2.8438
|
|
Ag -3.82064 -2.59080 3.13913 0.0005 0.0005 0.0005 -2.3217
|
|
Ag 4.20821 1.42766 -3.20822 -0.0018 -0.0018 -0.0018 -2.2831
|
|
Ag 3.40366 -1.22330 3.42421 0.0005 0.0005 0.0005 -2.5392
|
|
Ag 1.72536 2.85200 -2.92851 -0.0008 -0.0008 -0.0008 -2.5350
|
|
Ag 3.20406 -3.71561 1.70315 0.0020 0.0020 0.0020 -2.5166
|
|
Ag -2.32766 3.14050 3.18388 0.0009 0.0009 0.0009 -2.5412
|
|
Ag 2.94566 -4.19048 -3.01836 -0.0023 -0.0023 -0.0023 -2.3057
|
|
Ag -3.12980 5.08467 -1.37110 0.0014 0.0014 0.0014 -2.3373
|
|
Ag 1.21840 -2.32868 -4.28405 -0.0011 -0.0011 -0.0011 -2.5285
|
|
Ag -2.45286 0.00899 -0.80814 0.0025 0.0025 0.0025 -2.8676
|
|
Ag -1.19074 5.61198 2.51546 0.0008 0.0008 0.0008 -2.3708
|
|
Ag -1.41007 -2.64511 -1.19166 0.0007 0.0007 0.0007 -2.9006
|
|
Ag -0.56461 1.11658 4.24872 0.0011 0.0011 0.0011 -2.5712
|
|
Ag -0.76851 -0.75508 -5.57465 -0.0004 -0.0004 -0.0004 -2.2832
|
|
Ag 3.52053 -1.61679 -3.34449 -0.0016 -0.0016 -0.0016 -2.4918
|
|
Ag 4.24656 -2.94928 -0.82319 -0.0006 -0.0006 -0.0006 -2.5263
|
|
Ag -2.94854 2.52500 -2.20619 -0.0013 -0.0013 -0.0013 -2.6453
|
|
Ag -0.30823 -0.58220 -2.82859 0.0048 0.0048 0.0048 -2.8840
|
|
Ag -2.98016 -0.08689 -3.48598 -0.0024 -0.0024 -0.0024 -2.5552
|
|
Ag -1.15239 -5.28972 -0.21173 -0.0037 -0.0037 -0.0037 -2.5487
|
|
Ag 2.72765 -1.22157 0.67699 0.0008 0.0008 0.0008 -2.8886
|
|
Ag 2.11601 1.23030 3.40716 -0.0020 -0.0020 -0.0020 -2.6021
|
|
Ag 1.49713 5.77831 1.80928 0.0021 0.0021 0.0021 -2.2607
|
|
Ag -0.36872 1.87643 -1.46828 -0.0032 -0.0032 -0.0032 -2.8907
|
|
Ag -4.39328 -0.88598 1.00234 -0.0025 -0.0025 -0.0025 -2.5394
|
|
Ag 1.77363 0.43649 -4.46602 0.0027 0.0027 0.0027 -2.5494
|
|
Ag 2.15812 0.32583 -1.79315 -0.0041 -0.0041 -0.0041 -2.8846
|
|
Ag 3.79975 2.66693 -0.65362 0.0006 0.0006 0.0006 -2.5264
|
|
Ag 0.43104 3.34511 2.60072 0.0008 0.0008 0.0008 -2.7410
|