forked from lijiext/lammps
1020 lines
273 KiB
Plaintext
1020 lines
273 KiB
Plaintext
# DATE: 2016-11-11 CONTRIBUTOR: Venkatesh Botu <botuvenkatesh@gmail.com> CITATION: Botu, V. and Ramprasad, R., Phys. Rev. B, 92, 094306 (2015)
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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 7.54312006335
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lambda 1e-08
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b -116.143708049
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n_train 1000
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endVar
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0.000000000000000000e+00 2.819999999999999937e-02 4.599999999999999922e-02 4.839999999999999858e-02 4.259999999999999898e-02 2.900000000000000147e-02 1.370000000000000037e-02 1.580000000000000024e-03 1.189999999999999957e-05 0.000000000000000000e+00 2.926153611883024685e+06
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1.000000000000000000e+00 6.569999999999999452e-02 8.820000000000000062e-02 1.010000000000000064e-01 1.010000000000000064e-01 7.950000000000000122e-02 4.120000000000000051e-02 4.519999999999999712e-03 2.850000000000000157e-05 0.000000000000000000e+00 -2.067059602323263418e+06
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