46 lines
4.3 KiB
Plaintext
46 lines
4.3 KiB
Plaintext
43
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 2.19636 -4.15925 0.11313 -0.0023 -0.0023 -0.0023 -2.3391
|
|
Ag -3.10670 3.77918 0.41970 -0.0030 -0.0030 -0.0030 -2.3590
|
|
Ag 2.34955 -2.80221 2.59156 -0.0004 -0.0004 -0.0004 -2.5748
|
|
Ag -0.50762 1.89139 -1.89747 -0.0023 -0.0023 -0.0023 -2.6410
|
|
Ag 2.86469 -0.60311 -4.19854 -0.0013 -0.0013 -0.0013 -2.2100
|
|
Ag 1.99496 0.46123 -1.65416 -0.0000 -0.0000 -0.0000 -2.7910
|
|
Ag 1.46171 -0.13580 2.73617 -0.0020 -0.0020 -0.0020 -2.8416
|
|
Ag 0.69492 1.15531 0.54739 0.0003 0.0003 0.0003 -2.7055
|
|
Ag -0.63980 -0.64837 -1.11211 0.0011 0.0011 0.0011 -2.7799
|
|
Ag -0.15037 -2.10551 3.95818 -0.0005 -0.0005 -0.0005 -2.5577
|
|
Ag 4.56916 -0.21233 -1.63283 0.0014 0.0014 0.0014 -2.3409
|
|
Ag 2.75126 -2.25324 -1.93562 -0.0022 -0.0022 -0.0022 -2.5692
|
|
Ag -2.37929 -2.60222 -0.09231 0.0040 0.0040 0.0040 -2.5780
|
|
Ag -2.58458 -2.76169 2.72008 -0.0000 -0.0000 -0.0000 -2.3480
|
|
Ag -2.28222 -0.25447 3.98875 -0.0009 -0.0009 -0.0009 -2.4350
|
|
Ag 2.06558 2.66070 2.51495 0.0024 0.0024 0.0024 -2.4593
|
|
Ag 0.51487 0.65389 5.23496 -0.0008 -0.0008 -0.0008 -2.3101
|
|
Ag -4.92193 1.46371 -0.07288 -0.0009 -0.0009 -0.0009 -2.2966
|
|
Ag -2.01494 1.38406 0.38848 0.0004 0.0004 0.0004 -2.8039
|
|
Ag -0.30527 3.62260 0.70740 0.0006 0.0006 0.0006 -2.5640
|
|
Ag 1.31238 -1.64052 0.25135 0.0005 0.0005 0.0005 -2.7371
|
|
Ag -3.14882 2.41231 -2.08735 -0.0004 -0.0004 -0.0004 -2.5716
|
|
Ag 3.35909 0.70572 0.67218 -0.0038 -0.0038 -0.0038 -2.6952
|
|
Ag -2.39947 -2.48510 -3.10173 0.0010 0.0010 0.0010 -2.0964
|
|
Ag 0.01903 -3.28846 -1.39916 0.0002 0.0002 0.0002 -2.5458
|
|
Ag 2.35276 -1.39556 5.04217 -0.0036 -0.0036 -0.0036 -2.3433
|
|
Ag 3.10320 1.32082 4.68893 0.0004 0.0004 0.0004 -2.2371
|
|
Ag -3.33820 -0.28341 -1.38511 -0.0005 -0.0005 -0.0005 -2.5998
|
|
Ag -0.89919 -0.76760 1.74386 0.0016 0.0016 0.0016 -2.8211
|
|
Ag -3.54697 1.85071 2.49485 -0.0002 -0.0002 -0.0002 -2.3688
|
|
Ag 2.43748 3.33096 -0.07224 0.0034 0.0034 0.0034 -2.4534
|
|
Ag 4.03743 -2.00508 0.48787 0.0019 0.0019 0.0019 -2.4879
|
|
Ag -0.21550 -3.55683 1.47501 0.0020 0.0020 0.0020 -2.5852
|
|
Ag 0.42380 -1.47590 -3.53396 -0.0028 -0.0028 -0.0028 -2.5290
|
|
Ag -1.35957 2.94496 -4.29149 0.0009 0.0009 0.0009 -2.2329
|
|
Ag -3.78863 -0.67353 1.38297 0.0006 0.0006 0.0006 -2.5689
|
|
Ag -1.39357 4.52477 -1.66775 -0.0026 -0.0026 -0.0026 -2.3583
|
|
Ag -0.75543 1.72026 2.82473 -0.0041 -0.0041 -0.0041 -2.6829
|
|
Ag 1.26362 3.98517 -2.55225 0.0002 0.0002 0.0002 -2.3405
|
|
Ag 3.72496 2.36344 -2.27668 -0.0033 -0.0033 -0.0033 -2.2608
|
|
Ag 1.16283 1.57360 -4.02352 0.0008 0.0008 0.0008 -2.5009
|
|
Ag 4.24173 -0.54358 3.10110 -0.0030 -0.0030 -0.0030 -2.3262
|
|
Ag -1.59571 0.41658 -3.53103 -0.0002 -0.0002 -0.0002 -2.4371
|