58 lines
5.5 KiB
Plaintext
58 lines
5.5 KiB
Plaintext
55
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 7.93741 -67.61437 -45.40716 0.0028 0.0028 0.0028 -2.4373
|
|
Ag 13.17588 -66.36817 -39.49837 -0.0018 -0.0018 -0.0018 -2.3086
|
|
Ag 12.62447 -71.44625 -41.69842 -0.0023 -0.0023 -0.0023 -2.3381
|
|
Ag 7.15206 -65.26058 -36.11350 -0.0017 -0.0017 -0.0017 -2.2494
|
|
Ag 12.93324 -68.95791 -40.65008 0.0012 0.0012 0.0012 -2.5346
|
|
Ag 8.24537 -72.41867 -45.00616 0.0002 0.0002 0.0002 -2.3528
|
|
Ag 8.51213 -65.83383 -40.60038 0.0005 0.0005 0.0005 -2.6721
|
|
Ag 5.58319 -73.35352 -41.20604 -0.0019 -0.0019 -0.0019 -2.4561
|
|
Ag 10.24596 -70.10347 -41.18243 -0.0001 -0.0001 -0.0001 -2.8842
|
|
Ag 9.34305 -69.92577 -45.16220 0.0013 0.0013 0.0013 -2.5376
|
|
Ag 3.49266 -68.58401 -42.33553 0.0043 0.0043 0.0043 -2.3573
|
|
Ag 7.93103 -71.39809 -40.16962 -0.0019 -0.0019 -0.0019 -2.9094
|
|
Ag 5.85923 -70.22194 -35.80432 -0.0002 -0.0002 -0.0002 -2.3552
|
|
Ag 5.34926 -67.79364 -37.00798 0.0000 0.0000 0.0000 -2.4913
|
|
Ag 8.82283 -64.57234 -38.22140 -0.0021 -0.0021 -0.0021 -2.4461
|
|
Ag 11.59535 -69.45082 -43.53700 0.0002 0.0002 0.0002 -2.5481
|
|
Ag 7.77487 -70.65950 -42.94290 0.0012 0.0012 0.0012 -2.8989
|
|
Ag 10.05117 -65.26232 -42.78627 -0.0024 -0.0024 -0.0024 -2.4650
|
|
Ag 4.75884 -71.80332 -39.14290 0.0010 0.0010 0.0010 -2.4874
|
|
Ag 6.85255 -69.59793 -38.23066 0.0018 0.0018 0.0018 -2.8316
|
|
Ag 7.38954 -68.55175 -40.75657 -0.0015 -0.0015 -0.0015 -2.8690
|
|
Ag 12.10137 -71.07943 -38.96599 0.0008 0.0008 0.0008 -2.5442
|
|
Ag 7.42457 -65.79303 -43.43426 -0.0012 -0.0012 -0.0012 -2.4622
|
|
Ag 10.33648 -72.86050 -40.71978 -0.0019 -0.0019 -0.0019 -2.5588
|
|
Ag 5.18675 -70.66376 -41.70083 0.0011 0.0011 0.0011 -2.8371
|
|
Ag 4.72067 -68.30972 -39.70985 0.0001 0.0001 0.0001 -2.6651
|
|
Ag 12.44547 -68.50582 -37.84460 -0.0007 -0.0007 -0.0007 -2.5421
|
|
Ag 11.13493 -64.68889 -40.02449 -0.0046 -0.0046 -0.0046 -2.3630
|
|
Ag 9.30722 -64.96645 -45.30474 0.0009 0.0009 0.0009 -2.0705
|
|
Ag 6.95013 -72.37392 -37.61768 -0.0000 -0.0000 -0.0000 -2.4852
|
|
Ag 5.75846 -72.39319 -43.73410 0.0005 0.0005 0.0005 -2.5602
|
|
Ag 11.59979 -70.69300 -36.21533 -0.0030 -0.0030 -0.0030 -2.1819
|
|
Ag 10.34354 -71.86356 -43.28424 0.0013 0.0013 0.0013 -2.5774
|
|
Ag 9.73124 -69.72217 -38.41776 -0.0021 -0.0021 -0.0021 -2.8871
|
|
Ag 8.49208 -70.65582 -36.15604 0.0006 0.0006 0.0006 -2.5579
|
|
Ag 5.51143 -66.54954 -41.62766 0.0003 0.0003 0.0003 -2.4175
|
|
Ag 3.09008 -72.27202 -42.40199 -0.0005 -0.0005 -0.0005 -2.1999
|
|
Ag 6.01975 -68.54610 -43.52571 -0.0022 -0.0022 -0.0022 -2.7158
|
|
Ag 8.40150 -67.26677 -37.77711 0.0006 0.0006 0.0006 -2.8665
|
|
Ag 12.04425 -66.91574 -42.20345 -0.0017 -0.0017 -0.0017 -2.5084
|
|
Ag 7.85762 -74.04767 -39.70296 -0.0010 -0.0010 -0.0010 -2.3608
|
|
Ag 9.60280 -65.78675 -35.48335 0.0040 0.0040 0.0040 -2.2557
|
|
Ag 9.15744 -68.02281 -42.81972 -0.0012 -0.0012 -0.0012 -2.9207
|
|
Ag 6.34581 -65.95098 -38.85123 0.0011 0.0011 0.0011 -2.5118
|
|
Ag 10.27580 -68.39730 -36.04112 0.0011 0.0011 0.0011 -2.5647
|
|
Ag 10.51312 -67.57833 -40.05874 -0.0009 -0.0009 -0.0009 -2.8564
|
|
Ag 10.83000 -67.11146 -44.74177 -0.0019 -0.0019 -0.0019 -2.4198
|
|
Ag 6.50211 -70.30102 -45.51635 -0.0013 -0.0013 -0.0013 -2.4564
|
|
Ag 8.14829 -73.30085 -42.35045 -0.0006 -0.0006 -0.0006 -2.5824
|
|
Ag 2.85233 -70.15623 -40.20730 0.0001 0.0001 0.0001 -2.3446
|
|
Ag 4.05581 -70.34146 -44.20132 0.0036 0.0036 0.0036 -2.3670
|
|
Ag 9.58957 -72.61768 -38.17666 -0.0003 -0.0003 -0.0003 -2.4903
|
|
Ag 7.53916 -68.09142 -35.36508 0.0017 0.0017 0.0017 -2.5066
|
|
Ag 10.98371 -66.23799 -37.77071 -0.0014 -0.0014 -0.0014 -2.5765
|
|
Ag 3.66596 -69.83252 -37.62928 0.0008 0.0008 0.0008 -2.3137
|