99 lines
9.6 KiB
Plaintext
99 lines
9.6 KiB
Plaintext
96
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -1.31184 1.26775 4.70223 -0.0019 -0.0019 -0.0019 -2.9313
|
|
Ag -4.16399 1.95753 1.18521 -0.0001 -0.0001 -0.0001 -2.8843
|
|
Ag 3.89195 4.33506 -2.43301 -0.0005 -0.0005 -0.0005 -2.2581
|
|
Ag 1.12897 3.49913 -4.89699 -0.0026 -0.0026 -0.0026 -2.5051
|
|
Ag -5.79084 -0.77804 -1.05720 0.0007 0.0007 0.0007 -2.5774
|
|
Ag 4.81598 -0.40836 -4.16042 0.0010 0.0010 0.0010 -2.6419
|
|
Ag 1.18029 -4.13912 -3.27477 -0.0010 -0.0010 -0.0010 -2.6637
|
|
Ag 3.83442 1.43471 2.59805 0.0012 0.0012 0.0012 -2.6857
|
|
Ag -2.36820 -0.02966 -2.65273 0.0002 0.0002 0.0002 -2.8925
|
|
Ag -6.68990 1.44640 0.19505 -0.0009 -0.0009 -0.0009 -2.4806
|
|
Ag 4.00072 -4.01707 -3.73426 -0.0010 -0.0010 -0.0010 -2.5766
|
|
Ag -5.63822 -0.71031 1.73412 -0.0030 -0.0030 -0.0030 -2.6397
|
|
Ag -1.35155 -2.22437 -1.10019 -0.0011 -0.0011 -0.0011 -2.8570
|
|
Ag 5.32194 1.92027 -2.05749 0.0005 0.0005 0.0005 -2.4162
|
|
Ag 0.34678 2.47735 6.71913 0.0023 0.0023 0.0023 -2.4141
|
|
Ag 2.11644 5.01996 -0.18935 0.0016 0.0016 0.0016 -2.4559
|
|
Ag 1.27239 0.10977 5.59365 0.0009 0.0009 0.0009 -2.7327
|
|
Ag 2.92630 0.30203 -2.15840 -0.0020 -0.0020 -0.0020 -2.9024
|
|
Ag 3.60115 -2.20407 0.96313 0.0007 0.0007 0.0007 -2.8972
|
|
Ag -2.46109 4.83262 3.40745 -0.0006 -0.0006 -0.0006 -2.4668
|
|
Ag 0.97323 1.35051 2.96328 -0.0030 -0.0030 -0.0030 -2.8692
|
|
Ag 0.38119 -4.30152 -0.48730 -0.0031 -0.0031 -0.0031 -2.6347
|
|
Ag 5.76673 -4.43506 -1.67408 0.0005 0.0005 0.0005 -2.3734
|
|
Ag -1.85440 2.13757 -0.46998 -0.0027 -0.0027 -0.0027 -2.8594
|
|
Ag -3.59631 -4.83154 2.28685 -0.0009 -0.0009 -0.0009 -2.3337
|
|
Ag -1.77885 -3.65571 4.20290 0.0007 0.0007 0.0007 -2.5516
|
|
Ag 0.98217 1.62651 -6.80244 -0.0019 -0.0019 -0.0019 -2.3258
|
|
Ag 2.46001 3.91994 2.48713 0.0014 0.0014 0.0014 -2.4939
|
|
Ag 5.04857 0.24316 0.30741 -0.0021 -0.0021 -0.0021 -2.6910
|
|
Ag 0.34198 -1.56961 -6.41694 -0.0014 -0.0014 -0.0014 -2.5427
|
|
Ag -0.60527 -1.29565 3.50869 -0.0030 -0.0030 -0.0030 -2.8987
|
|
Ag 3.16008 -4.29492 -0.99586 0.0000 0.0000 0.0000 -2.6498
|
|
Ag -0.83225 4.47472 -1.29395 -0.0034 -0.0034 -0.0034 -2.6630
|
|
Ag -6.90144 1.17471 -2.68256 -0.0005 -0.0005 -0.0005 -2.1078
|
|
Ag 0.16220 3.82890 4.23443 -0.0042 -0.0042 -0.0042 -2.6510
|
|
Ag -0.72581 0.05128 1.06310 -0.0007 -0.0007 -0.0007 -2.9122
|
|
Ag -2.78729 4.62510 0.65003 0.0011 0.0011 0.0011 -2.6472
|
|
Ag 1.10205 -3.53506 3.91021 0.0014 0.0014 0.0014 -2.6342
|
|
Ag -0.30873 -1.81664 -3.66982 0.0020 0.0020 0.0020 -2.8788
|
|
Ag -3.31337 -0.52389 0.03818 0.0006 0.0006 0.0006 -2.9044
|
|
Ag 3.43242 2.49938 -0.13461 0.0002 0.0002 0.0002 -2.7171
|
|
Ag -0.20521 4.83465 1.54988 0.0016 0.0016 0.0016 -2.5813
|
|
Ag 0.89926 0.57472 -4.31534 -0.0036 -0.0036 -0.0036 -2.8798
|
|
Ag 1.65229 2.70363 -2.21772 0.0006 0.0006 0.0006 -2.8442
|
|
Ag 2.41631 2.40889 4.82566 -0.0003 -0.0003 -0.0003 -2.4454
|
|
Ag 6.80082 -0.43740 -1.69484 0.0025 0.0025 0.0025 -2.2957
|
|
Ag 2.05236 -3.70055 -5.89452 0.0008 0.0008 0.0008 -2.3725
|
|
Ag -0.82701 -3.95595 -5.64153 0.0015 0.0015 0.0015 -2.3023
|
|
Ag 2.23586 -4.62948 1.68473 -0.0023 -0.0023 -0.0023 -2.5594
|
|
Ag 6.19997 -2.40633 0.30399 -0.0002 -0.0002 -0.0002 -2.4855
|
|
Ag 1.57264 -2.07139 -1.38901 0.0004 0.0004 0.0004 -2.8889
|
|
Ag 4.41335 -2.52442 -6.04443 0.0028 0.0028 0.0028 -2.3411
|
|
Ag 2.84330 -0.28790 -6.37210 -0.0043 -0.0043 -0.0043 -2.4987
|
|
Ag 2.53771 -0.98864 3.34134 0.0008 0.0008 0.0008 -2.9145
|
|
Ag 0.07044 -2.33466 6.12847 -0.0011 -0.0011 -0.0011 -2.4633
|
|
Ag 1.14405 5.36316 -2.96249 0.0010 0.0010 0.0010 -2.3848
|
|
Ag 2.36465 -1.81236 -4.14915 -0.0003 -0.0003 -0.0003 -2.8252
|
|
Ag 2.94880 -2.11223 5.83767 -0.0013 -0.0013 -0.0013 -2.3343
|
|
Ag -4.15114 -2.35807 3.59737 0.0003 0.0003 0.0003 -2.5485
|
|
Ag -2.50499 -1.06251 5.59594 -0.0003 -0.0003 -0.0003 -2.6259
|
|
Ag -3.39267 3.88938 -2.33298 0.0013 0.0013 0.0013 -2.5576
|
|
Ag 0.63136 2.47094 0.35294 0.0005 0.0005 0.0005 -2.8690
|
|
Ag -4.38373 1.53877 -1.53800 0.0058 0.0058 0.0058 -2.7956
|
|
Ag 0.08116 0.23196 -1.69225 -0.0002 -0.0002 -0.0002 -2.8822
|
|
Ag -4.86992 -3.12688 0.43200 -0.0003 -0.0003 -0.0003 -2.5197
|
|
Ag 2.14776 0.15846 0.65644 0.0014 0.0014 0.0014 -2.9178
|
|
Ag 4.21110 0.38206 5.24509 0.0001 0.0001 0.0001 -2.3267
|
|
Ag -1.51350 2.54323 2.27086 0.0003 0.0003 0.0003 -2.9013
|
|
Ag -1.90308 3.87544 5.98655 -0.0012 -0.0012 -0.0012 -2.3222
|
|
Ag -2.81980 -2.16307 -4.67231 0.0005 0.0005 0.0005 -2.5067
|
|
Ag -1.60693 -4.13908 -2.94131 0.0041 0.0041 0.0041 -2.5450
|
|
Ag -3.89403 -2.61032 -2.16544 0.0001 0.0001 0.0001 -2.6596
|
|
Ag -1.44722 5.04667 -3.94808 -0.0002 -0.0002 -0.0002 -2.3557
|
|
Ag -1.60933 0.17436 -5.45395 0.0013 0.0013 0.0013 -2.6101
|
|
Ag 0.70591 -2.33738 1.35182 0.0006 0.0006 0.0006 -2.8865
|
|
Ag -0.86808 2.53558 -3.06792 -0.0000 -0.0000 -0.0000 -2.8346
|
|
Ag -0.84921 -4.95687 1.84645 -0.0002 -0.0002 -0.0002 -2.5196
|
|
Ag 5.28643 -0.96831 2.84047 0.0018 0.0018 0.0018 -2.4777
|
|
Ag -3.46850 1.90827 -4.29101 -0.0005 -0.0005 -0.0005 -2.5226
|
|
Ag 4.41062 -2.00241 -1.83345 0.0003 0.0003 0.0003 -2.8795
|
|
Ag -1.25346 2.99622 -5.72347 0.0005 0.0005 0.0005 -2.3869
|
|
Ag -3.06033 1.58925 6.78104 -0.0013 -0.0013 -0.0013 -2.3435
|
|
Ag -4.87472 4.47066 2.47552 0.0049 0.0049 0.0049 -2.3427
|
|
Ag -6.26808 1.75749 2.90882 -0.0002 -0.0002 -0.0002 -2.3724
|
|
Ag 6.30204 -2.68319 -3.77341 0.0007 0.0007 0.0007 -2.3348
|
|
Ag -2.31133 -2.65089 1.48090 0.0033 0.0033 0.0033 -2.7816
|
|
Ag -3.89206 2.41232 3.95840 -0.0019 -0.0019 -0.0019 -2.6747
|
|
Ag 4.88887 -4.74510 0.98379 0.0029 0.0029 0.0029 -2.3510
|
|
Ag -2.54020 -4.50270 -0.30308 0.0025 0.0025 0.0025 -2.5201
|
|
Ag -0.86353 0.03560 7.34188 0.0003 0.0003 0.0003 -2.3579
|
|
Ag 3.25944 1.84756 -4.49378 0.0019 0.0019 0.0019 -2.5759
|
|
Ag -4.86308 0.18498 4.84348 0.0011 0.0011 0.0011 -2.4116
|
|
Ag 3.99675 -3.32967 3.49009 0.0011 0.0011 0.0011 -2.4835
|
|
Ag -3.03963 -0.01489 2.74657 0.0005 0.0005 0.0005 -2.8980
|
|
Ag -4.92107 -0.42270 -3.73407 0.0020 0.0020 0.0020 -2.4825
|
|
Ag -5.35302 3.92434 -0.33352 0.0004 0.0004 0.0004 -2.3934
|