lammps/potentials/Cu_Huan_2019_fp1.agni

# DATE: 2020-11-12 CONTRIBUTOR: James Chapman, email chapman37@llnl.gov
# Huan Tran, Rohit Batra, James Chapman, Chiho Kim, Anand Chandrasekaran, and Rampi Ramprasad, Iterative-Learning Strategy for the Development of Application-Specific Atomistic Force Fields, J. Phys. Chem. C., 123, 34, 20715-20722 (2019) 
n_elements 1
element Cu
interaction Cu
generation 1
eta +1.56250000E-02 +1.78683272E-02 +2.04337354E-02 +2.33674669E-02 +2.67224028E-02 +3.05590168E-02 +3.49464646E-02 +3.99638313E-02 +4.57015560E-02 +5.22630628E-02 +5.97666243E-02 +6.83474943E-02 +7.81603450E-02 +8.93820555E-02 +1.02214900E-01 +1.16890194E-01 +1.33672462E-01 +1.52864211E-01 +1.74811375E-01 +1.99909558E-01 +2.28611161E-01 +2.61433537E-01 +2.98968319E-01 +3.41892079E-01 +3.90978530E-01 +4.47112467E-01 +5.11305718E-01 +5.84715383E-01 +6.68664689E-01 +7.64666844E-01 +8.74452311E-01 +1.00000000E+00 
Rc 8.0
n_train 1650
sigma 10.0
lambda 1e-10
b 601.393497747
endVar
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