# simulation information simulation 1 ensemble cg # i/o file information coordname imd_eon.in.conf outfiles imd_eon.out use_header 0 # potential information # parameters for EAM (Embedded Atom Method potentials) core_potential_file AlH2-Phi-r2.dat embedding_energy_file AlH2-F-Rho.dat atomic_e-density_file AlH2-rho-r2.dat adp_upotfile AlH2-dipole-r2.dat adp_wpotfile AlH2-quadruple-r2.dat # sample information ntypes 2 box_from_header 1 pbc_dirs 1 1 1 total_types 2 # integrator information timestep 0.0001 force_all 1 force_int 1 eng_int 1