lammps/potentials/CuH.bop.table

6040 lines
476 KiB
Plaintext

# DATE: 2015-07-06 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, Don Ward, donward@sandia.gov, CITATION: Zhou, Ward, Foster, and Zimmerman, J. Mater. Sci., 50, 2859 (2015)
2
29 6.35500000e+01 Cu
1 1.00794000e+00 H
2000 7 2000
1.00e-05 1.00e-05 1.00e-05 1.00e-05 1.00e-05 1.00e-02 1.00e-05
2.89162294e-01
1.46344015e+00
3.73600000e+00
6.30356740e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00
5.00000000e-01 0.00000000e+00 1.00000000e+06
2.12000000e+00
1.51004097e+00 0.00000000e+00 1.00000000e+00 1.00000000e+00
0.00000000e+00 0.00000000e+00
5.00000000e-01 0.00000000e+00 1.00000000e+06
2.49120000e+00
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5.49169470e-01 -2.98677594e+01 1.00000000e+06
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2.41557572e-01 -1.31973685e-01 -1.63995281e-02
8.25479000e-02 4.06736527e-01 3.78270835e-01 1.86394254e-02 -1.47856968e-01
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