forked from lijiext/lammps
63 lines
1.2 KiB
Plaintext
63 lines
1.2 KiB
Plaintext
# DATE: 2017-02-20 CONTRIBUTOR: Mitchell Wood mitwood@sandia.gov CITATION: Wood, M. A. and Thompson, A. P. "Quantum-Accurate Molecular Dynamics Potential for Tungsten" arXiv:1702.07042 [physics.comp-ph]
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#
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# LAMMPS SNAP coefficients for W
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1 56
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W 0.5 1
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0.781170857801
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-0.001794941735
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-0.016628679036
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-0.066625537037
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-0.073716343967
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-0.062913923923
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0.032552694672
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-0.134901744419
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-0.075076334103
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-0.148558616547
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-0.140808831101
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-0.166749145704
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-0.047487675984
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-0.049892090603
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-0.032483739965
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-0.114766534860
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-0.106759718242
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-0.125894850485
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-0.103409735225
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-0.095247335447
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-0.061998736346
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-0.053895610976
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-0.010799734206
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-0.011644828900
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-0.028316826924
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0.011176085541
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0.064619474684
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-0.023886279996
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-0.004099224312
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-0.056084222496
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-0.035551497650
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-0.056678501024
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-0.004905851656
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-0.015701146162
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-0.008462280779
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0.016429018676
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0.032432633993
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-0.010805361272
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-0.014841893457
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0.019414134562
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-0.008112452759
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-0.002700775447
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0.007032887063
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-0.009706065042
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0.008385967833
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0.028606085876
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-0.007003591067
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0.006467260152
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-0.006666986361
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0.029243285316
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0.002477673872
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-0.000199497504
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0.004068954075
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0.006036129972
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-0.013010633924
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-0.008314173699
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