# LAMMPS library.meam file containing MEAM C and H parameters for saturated # hydrocarbons developed by Sasan Nouranian. # Reference: Physical Chemistry Chemical Physics, 16(13) (2014):6233-6249. # This file is used together with the CH.meam file. # Contact: nouranian@gmail.com (Dr. Sasan Nouranian) # elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'C' 'dia' 4 6 12.011100 3.600000 4.200000 4.500000 4.300000 4.180000 3.325000 7.370000 0.640000 1.000000 0.500000 0.450000 -3.800000 1.000000 -5.000000 'H' 'dim' 1 1 1.007900 2.038800 2.720000 2.045000 2.250000 3.000000 0.740000 2.363000 2.500000 1.000000 0.200000 -0.400000 0.000001 1.500000 -5.000000