46 lines
4.3 KiB
Plaintext
46 lines
4.3 KiB
Plaintext
43
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -32.64194 -30.78185 -9.73538 -0.0022 -0.0022 -0.0022 -2.4768
|
|
Ag -34.52684 -32.56401 -5.59741 0.0001 0.0001 0.0001 -2.5793
|
|
Ag -37.89400 -27.52417 -11.02529 -0.0020 -0.0020 -0.0020 -2.4548
|
|
Ag -35.01139 -31.25879 -3.08792 0.0016 0.0016 0.0016 -2.5906
|
|
Ag -40.23225 -28.70676 -10.85026 0.0013 0.0013 0.0013 -2.1273
|
|
Ag -32.39021 -27.94788 -9.50221 -0.0005 -0.0005 -0.0005 -2.4565
|
|
Ag -30.52628 -29.96992 -5.60736 -0.0009 -0.0009 -0.0009 -2.2550
|
|
Ag -34.22032 -27.02429 -5.10207 -0.0002 -0.0002 -0.0002 -2.5174
|
|
Ag -37.13492 -29.15863 -8.86399 0.0003 0.0003 0.0003 -2.9242
|
|
Ag -30.53452 -29.65593 -8.31263 0.0007 0.0007 0.0007 -2.2401
|
|
Ag -34.77242 -28.37589 -2.68829 0.0004 0.0004 0.0004 -2.5538
|
|
Ag -36.16521 -27.89214 -6.45479 -0.0015 -0.0015 -0.0015 -2.7891
|
|
Ag -37.57740 -28.39937 -1.94387 -0.0007 -0.0007 -0.0007 -2.2293
|
|
Ag -37.71544 -31.24203 -2.30812 -0.0026 -0.0026 -0.0026 -2.2551
|
|
Ag -37.40953 -32.02264 -9.04114 0.0007 0.0007 0.0007 -2.5480
|
|
Ag -33.50190 -29.32600 -11.81422 0.0018 0.0018 0.0018 -2.2475
|
|
Ag -34.56756 -29.58984 -8.26520 -0.0042 -0.0042 -0.0042 -2.8836
|
|
Ag -39.01314 -32.14606 -6.73320 -0.0005 -0.0005 -0.0005 -2.4816
|
|
Ag -36.77068 -26.71982 -3.96432 0.0003 0.0003 0.0003 -2.5659
|
|
Ag -36.99921 -29.64750 -4.39117 -0.0004 -0.0004 -0.0004 -2.8933
|
|
Ag -36.50889 -31.00527 -6.81365 0.0040 0.0040 0.0040 -2.8321
|
|
Ag -39.44302 -27.64057 -8.58156 0.0002 0.0002 0.0002 -2.4616
|
|
Ag -32.52879 -28.46854 -6.87108 -0.0010 -0.0010 -0.0010 -2.6670
|
|
Ag -36.99242 -26.38693 -8.66852 -0.0002 -0.0002 -0.0002 -2.5727
|
|
Ag -34.38242 -29.83020 -5.36855 -0.0022 -0.0022 -0.0022 -2.9067
|
|
Ag -32.86251 -30.12313 -1.77989 0.0003 0.0003 0.0003 -2.1114
|
|
Ag -39.77082 -30.57886 -8.95628 0.0017 0.0017 0.0017 -2.4538
|
|
Ag -32.52515 -31.22585 -7.00284 0.0032 0.0032 0.0032 -2.6736
|
|
Ag -36.76976 -33.83705 -7.06452 0.0005 0.0005 0.0005 -2.3316
|
|
Ag -38.41804 -26.40264 -6.14982 -0.0044 -0.0044 -0.0044 -2.4775
|
|
Ag -34.26554 -26.53936 -7.89715 0.0009 0.0009 0.0009 -2.5695
|
|
Ag -39.53522 -30.97692 -4.36894 0.0002 0.0002 0.0002 -2.3789
|
|
Ag -35.08031 -27.73218 -10.23221 0.0006 0.0006 0.0006 -2.6688
|
|
Ag -38.74040 -29.30320 -6.49731 -0.0004 -0.0004 -0.0004 -2.7558
|
|
Ag -39.34145 -28.13192 -4.12797 0.0025 0.0025 0.0025 -2.3715
|
|
Ag -38.16166 -30.39036 -11.25585 0.0005 0.0005 0.0005 -2.4753
|
|
Ag -32.21038 -28.56880 -3.89276 0.0012 0.0012 0.0012 -2.4734
|
|
Ag -34.76541 -32.49516 -8.49547 0.0029 0.0029 0.0029 -2.5539
|
|
Ag -37.23270 -32.56278 -4.63793 0.0004 0.0004 0.0004 -2.5749
|
|
Ag -36.17573 -28.96130 -12.51692 -0.0020 -0.0020 -0.0020 -2.2627
|
|
Ag -35.94634 -25.09833 -6.12306 -0.0033 -0.0033 -0.0033 -2.3147
|
|
Ag -32.35365 -31.36332 -4.14674 0.0003 0.0003 0.0003 -2.4809
|
|
Ag -35.46220 -30.80072 -10.59508 0.0011 0.0011 0.0011 -2.6520
|