67 lines
6.4 KiB
Plaintext
67 lines
6.4 KiB
Plaintext
64
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 1.58460 -29.45868 -31.20014 0.0022 0.0022 0.0022 -2.7600
|
|
Ag 0.70090 -30.08856 -28.71900 0.0001 0.0001 0.0001 -2.8737
|
|
Ag 3.28637 -31.00000 -29.53182 0.0022 0.0022 0.0022 -2.8066
|
|
Ag 0.24889 -27.46916 -32.56610 -0.0005 -0.0005 -0.0005 -2.8569
|
|
Ag 2.39357 -28.98548 -33.79400 -0.0021 -0.0021 -0.0021 -2.8670
|
|
Ag 0.13278 -31.80031 -30.82724 0.0015 0.0015 0.0015 -2.8435
|
|
Ag 3.08640 -28.42804 -29.21554 -0.0009 -0.0009 -0.0009 -2.8457
|
|
Ag -0.02975 -30.41717 -33.28599 -0.0017 -0.0017 -0.0017 -2.7707
|
|
Ag 2.90130 -26.92066 -31.56203 -0.0004 -0.0004 -0.0004 -2.9124
|
|
Ag -1.20241 -29.36243 -30.88726 -0.0023 -0.0023 -0.0023 -2.8636
|
|
Ag 0.61445 -27.33042 -29.78124 -0.0000 -0.0000 -0.0000 -2.8162
|
|
Ag 2.72969 -31.63111 -32.46285 -0.0004 -0.0004 -0.0004 -2.8609
|
|
Ag 4.30466 -29.39053 -31.58540 -0.0026 -0.0026 -0.0026 -2.8863
|
|
Ag 2.56898 -31.44618 -26.80850 0.0024 0.0024 0.0024 -2.6837
|
|
Ag 4.86157 -32.66160 -27.87749 0.0014 0.0014 0.0014 -2.4656
|
|
Ag -0.92744 -25.40714 -33.84111 -0.0017 -0.0017 -0.0017 -2.2922
|
|
Ag 3.34288 -28.40923 -36.19694 -0.0034 -0.0034 -0.0034 -2.2640
|
|
Ag -1.13201 -34.11323 -30.26136 0.0012 0.0012 0.0012 -2.5769
|
|
Ag 4.62831 -27.31921 -27.21836 -0.0006 -0.0006 -0.0006 -2.3402
|
|
Ag -1.34863 -31.31496 -35.21172 -0.0012 -0.0012 -0.0012 -2.3484
|
|
Ag 4.11185 -24.38674 -31.83362 -0.0020 -0.0020 -0.0020 -2.3254
|
|
Ag -3.89664 -29.24940 -30.53575 0.0030 0.0030 0.0030 -2.2580
|
|
Ag -0.73014 -25.49197 -28.58355 -0.0007 -0.0007 -0.0007 -2.2276
|
|
Ag 3.56970 -33.80739 -33.90025 -0.0026 -0.0026 -0.0026 -2.4605
|
|
Ag 6.93542 -29.39084 -32.01744 -0.0028 -0.0028 -0.0028 -2.3311
|
|
Ag 2.81154 -34.29243 -26.88307 -0.0013 -0.0013 -0.0013 -2.3571
|
|
Ag 3.58214 -35.37013 -29.44020 -0.0012 -0.0012 -0.0012 -2.3063
|
|
Ag 0.83542 -35.96507 -30.45844 0.0008 0.0008 0.0008 -2.4370
|
|
Ag 4.88150 -29.93329 -27.47048 -0.0003 -0.0003 -0.0003 -2.5502
|
|
Ag 4.51210 -25.72361 -29.43278 0.0002 0.0002 0.0002 -2.5385
|
|
Ag -2.65116 -31.70941 -30.47467 -0.0025 -0.0025 -0.0025 -2.5512
|
|
Ag -2.99747 -30.40918 -33.18367 -0.0011 -0.0011 -0.0011 -2.4564
|
|
Ag 2.39406 -28.71523 -26.49905 -0.0004 -0.0004 -0.0004 -2.5119
|
|
Ag -0.60548 -28.02045 -27.44840 0.0005 0.0005 0.0005 -2.5049
|
|
Ag 0.10378 -34.99445 -27.90760 -0.0040 -0.0040 -0.0040 -2.3702
|
|
Ag 1.87963 -33.25652 -29.14834 0.0024 0.0024 0.0024 -2.8273
|
|
Ag 1.08028 -33.94075 -32.34462 -0.0016 -0.0016 -0.0016 -2.6866
|
|
Ag 6.00779 -28.17728 -29.49955 0.0024 0.0024 0.0024 -2.5765
|
|
Ag 5.73683 -26.74116 -31.88232 0.0031 0.0031 0.0031 -2.5324
|
|
Ag 6.05417 -30.86939 -29.84195 0.0003 0.0003 0.0003 -2.5462
|
|
Ag 1.38034 -26.74316 -34.96885 -0.0011 -0.0011 -0.0011 -2.4971
|
|
Ag -1.21874 -28.38896 -34.63147 0.0007 0.0007 0.0007 -2.5235
|
|
Ag 3.68139 -31.06083 -35.02847 0.0006 0.0006 0.0006 -2.5487
|
|
Ag 1.61919 -24.96103 -33.02164 -0.0001 -0.0001 -0.0001 -2.5426
|
|
Ag 3.92420 -26.27398 -34.02085 -0.0010 -0.0010 -0.0010 -2.5370
|
|
Ag -0.71328 -32.34341 -28.18976 0.0020 0.0020 0.0020 -2.6823
|
|
Ag -2.26543 -30.03054 -28.38915 0.0005 0.0005 0.0005 -2.5450
|
|
Ag 0.56036 -33.11023 -25.82169 0.0003 0.0003 0.0003 -2.2769
|
|
Ag 1.77628 -24.78480 -30.19989 -0.0012 -0.0012 -0.0012 -2.5627
|
|
Ag 0.80267 -30.04105 -36.03696 -0.0007 -0.0007 -0.0007 -2.4177
|
|
Ag 1.28280 -32.41947 -34.60899 -0.0037 -0.0037 -0.0037 -2.7072
|
|
Ag 1.44172 -35.35779 -34.50916 -0.0036 -0.0036 -0.0036 -2.3356
|
|
Ag 5.25805 -28.90618 -34.13365 -0.0009 -0.0009 -0.0009 -2.5496
|
|
Ag -1.51775 -32.84069 -32.94313 0.0017 0.0017 0.0017 -2.7088
|
|
Ag 2.25076 -26.07940 -27.67386 -0.0001 -0.0001 -0.0001 -2.4642
|
|
Ag -2.50882 -27.39343 -29.66171 0.0016 0.0016 0.0016 -2.4083
|
|
Ag -0.80828 -35.59127 -32.76043 0.0003 0.0003 0.0003 -2.3367
|
|
Ag 5.46219 -31.60133 -32.90544 0.0032 0.0032 0.0032 -2.5307
|
|
Ag 3.13321 -35.72191 -32.08101 0.0023 0.0023 0.0023 -2.3212
|
|
Ag -1.02742 -34.27409 -35.22298 -0.0010 -0.0010 -0.0010 -2.2080
|
|
Ag -0.04575 -30.49217 -26.17017 0.0007 0.0007 0.0007 -2.4021
|
|
Ag -0.72308 -25.16522 -31.09145 0.0007 0.0007 0.0007 -2.4510
|
|
Ag -2.54797 -27.43024 -32.34606 -0.0020 -0.0020 -0.0020 -2.5195
|
|
Ag 4.67410 -33.12866 -30.65378 -0.0025 -0.0025 -0.0025 -2.5539
|