# DATE: 2018-09-11 14:44:35.379275 CITATION: J. Byggmastar, F. Granberg, J. Nucl. Mater. 528 151893 (2020) # tersoff/zbl pair_style # Parameters in LAMMPS metal units: # A, B = eV; lambda1, lambda2, lambda3 = 1/Angstroms; R, D = Angstroms # Z_i, Z_j = electron charge units # other parameters are unitless # s1 s2 s3 m gamma lambda3 c d costheta0 n beta lambda2 B R D lambda1 A Z_i Z_j ZBLcut ZBLexpscale Fe Fe Fe 1.0 0.0115751 0.8 1.2898716 0.3413219 0.38 1.0 1.0 1.37635403631 67.1998326354 3.26 0.2 2.8481044096 958.606782615 26 26 1.2 10.0