forked from lijiext/lammps
3021 lines
821 KiB
Plaintext
3021 lines
821 KiB
Plaintext
# DATE: 2017-02-24 CONTRIBUTOR: Venkatesh Botu <botuvenkatesh@gmail.com> CITATION: Botu, V., Batra, R., Chapman, J., and Ramprasad, R., J. Phys. Chem. C, 121 (1), 511 (2017).
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# This potential is an updated version of Al_prb.agni, which is now deprecated.
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# This potential file is parameterized for metal units
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generation 1
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n_elements 1
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element Al
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interaction Al
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Rc 8.0
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Rs 0.0
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neighbors 500
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eta 0.0036 0.0357 0.0715 0.1251 0.2144 0.3573 0.7147 1.4294
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sigma 13.8949549437
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lambda 1e-08
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b 102.870264493
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n_train 3000
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endVar
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1.000000000000000000e+00 -4.977152206916696464e+00 -2.661383130146552922e+00 -1.494564974611932495e+00 -7.326386664321046238e-01 -2.717745126429032543e-01 -6.595850089381591341e-02 -1.985476180073739681e-03 1.342170339121332597e-05 7.294220000000000148e-01 1.595073002517673187e+07
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