element(s): ['Al'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.039'] model name: MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]] ========================================= Step Time Energy fmax BFGS: 0 16:13:06 -13.439711 0.034565 BFGS: 1 16:13:06 -13.439760 0.031494 BFGS: 2 16:13:06 -13.440000 0.000234 BFGS: 3 16:13:06 -13.440000 0.000002 BFGS: 4 16:13:06 -13.440000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.968491482782166e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.044650801546468, -7.617983150629622e-34, -1.923843369899991e-33], [-5.079310856170284e-34, 4.044650801546468, -2.961177725056272e-24], [-2.399429251907387e-34, -2.9611777253100236e-24, 4.044650801546468]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.96849148e-12 -4.96849148e-12 -4.96849148e-12 1.04574795e-28 -1.25789645e-63 -1.99383507e-63] energy per atom = -3.360000000051902 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0