element(s): ['Ni'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.7844'] model name: MEAM_LAMMPS_KoShimLee_2011_NiH__MO_091278480940_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]] ========================================= Step Time Energy fmax BFGS: 0 16:20:32 -8.577064 0.136423 BFGS: 1 16:20:32 -8.577753 0.099307 BFGS: 2 16:20:32 -8.578542 0.002043 BFGS: 3 16:20:32 -8.578542 0.000032 BFGS: 4 16:20:32 -8.578542 0.000000 BFGS: 5 16:20:32 -8.578542 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.732435703487545e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7945275496493918, -4.944765105083009e-33, 1.3928010472248638e-33], [-5.160206574658138e-34, 2.7945275496493918, -4.249103177966219e-22], [-6.457116488592121e-33, -4.2491031778779975e-22, 2.7945275496493918]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.73243570e-15 -4.73243570e-15 -4.73243570e-15 -5.17152754e-31 -1.39791088e-63 4.01490728e-64] energy per atom = -4.289271075105841 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0