48 lines
4.5 KiB
Plaintext
48 lines
4.5 KiB
Plaintext
45
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -31.54100 -26.30473 -31.78236 0.0005 0.0005 0.0005 -2.2422
|
|
Ag -35.52713 -29.99988 -26.82772 0.0021 0.0021 0.0021 -2.5842
|
|
Ag -36.17384 -26.44483 -30.54585 0.0010 0.0010 0.0010 -2.3240
|
|
Ag -33.67217 -29.49510 -22.32670 0.0028 0.0028 0.0028 -2.4037
|
|
Ag -33.78044 -27.73261 -31.44599 0.0021 0.0021 0.0021 -2.3911
|
|
Ag -30.95712 -22.89964 -27.15676 -0.0015 -0.0015 -0.0015 -2.3592
|
|
Ag -30.71571 -27.49541 -26.37484 0.0013 0.0013 0.0013 -2.6403
|
|
Ag -33.53173 -24.25670 -23.10052 -0.0000 -0.0000 -0.0000 -2.5729
|
|
Ag -34.71183 -25.90055 -28.35556 -0.0022 -0.0022 -0.0022 -2.8176
|
|
Ag -29.25527 -24.92467 -26.36850 0.0010 0.0010 0.0010 -2.3535
|
|
Ag -33.68872 -26.79725 -21.87438 0.0010 0.0010 0.0010 -2.5488
|
|
Ag -34.56332 -25.29514 -25.51446 0.0004 0.0004 0.0004 -2.9003
|
|
Ag -36.26084 -28.32088 -22.01903 0.0016 0.0016 0.0016 -2.3284
|
|
Ag -36.61623 -30.19298 -24.16849 -0.0002 -0.0002 -0.0002 -2.4052
|
|
Ag -30.36058 -28.42442 -30.73206 -0.0021 -0.0021 -0.0021 -2.2728
|
|
Ag -31.03168 -24.46942 -29.41209 0.0018 0.0018 0.0018 -2.4978
|
|
Ag -32.26420 -25.38894 -27.07490 -0.0012 -0.0012 -0.0012 -2.8973
|
|
Ag -35.07710 -28.55399 -29.16628 -0.0033 -0.0033 -0.0033 -2.6403
|
|
Ag -36.04081 -25.71863 -23.12316 0.0037 0.0037 0.0037 -2.5762
|
|
Ag -34.80898 -28.02319 -24.35425 -0.0004 -0.0004 -0.0004 -2.9329
|
|
Ag -33.60115 -28.07035 -26.93534 -0.0001 -0.0001 -0.0001 -2.8412
|
|
Ag -37.41529 -25.34141 -28.26924 -0.0039 -0.0039 -0.0039 -2.4856
|
|
Ag -31.24475 -24.18127 -24.67588 -0.0019 -0.0019 -0.0019 -2.5888
|
|
Ag -35.76282 -23.37502 -27.09767 0.0027 0.0027 0.0027 -2.4833
|
|
Ag -32.39817 -26.57751 -24.35041 -0.0027 -0.0027 -0.0027 -2.8354
|
|
Ag -31.22116 -28.00084 -22.31907 -0.0014 -0.0014 -0.0014 -2.3557
|
|
Ag -37.77082 -28.01879 -28.74574 -0.0011 -0.0011 -0.0011 -2.4196
|
|
Ag -30.30375 -29.29479 -28.20605 0.0003 0.0003 0.0003 -2.3440
|
|
Ag -32.66619 -30.51196 -27.13988 -0.0011 -0.0011 -0.0011 -2.4106
|
|
Ag -37.27620 -24.82738 -25.31901 -0.0006 -0.0006 -0.0006 -2.4504
|
|
Ag -33.31364 -22.75697 -25.68805 -0.0022 -0.0022 -0.0022 -2.5347
|
|
Ag -38.98734 -26.76677 -26.54919 0.0046 0.0046 0.0046 -2.3472
|
|
Ag -33.31015 -23.19217 -28.37806 0.0007 0.0007 0.0007 -2.4763
|
|
Ag -36.25355 -27.25432 -26.54183 -0.0009 -0.0009 -0.0009 -2.8741
|
|
Ag -37.75585 -27.56348 -24.22594 -0.0008 -0.0008 -0.0008 -2.5557
|
|
Ag -32.66643 -29.75236 -29.82248 -0.0005 -0.0005 -0.0005 -2.4230
|
|
Ag -31.08709 -25.11063 -21.85371 0.0027 0.0027 0.0027 -2.2032
|
|
Ag -29.54951 -26.61488 -28.72985 -0.0039 -0.0039 -0.0039 -2.4386
|
|
Ag -34.08722 -30.97985 -24.73459 -0.0005 -0.0005 -0.0005 -2.3381
|
|
Ag -33.43820 -24.87072 -30.51097 -0.0003 -0.0003 -0.0003 -2.4410
|
|
Ag -35.79648 -23.04754 -24.37737 0.0018 0.0018 0.0018 -2.2627
|
|
Ag -32.07485 -29.32108 -24.76215 0.0046 0.0046 0.0046 -2.5549
|
|
Ag -32.23492 -27.10663 -29.16828 0.0005 0.0005 0.0005 -2.8973
|
|
Ag -29.67924 -26.39584 -24.01422 0.0033 0.0033 0.0033 -2.3867
|
|
Ag -38.08795 -29.34454 -26.22258 0.0035 0.0035 0.0035 -2.3691
|