element(s): ['Al'] 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: ['3.233'] model name: EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]] ========================================= Step Time Energy fmax BFGS: 0 13:54:10 -6.642035 0.2571 BFGS: 1 13:54:10 -6.644656 0.2185 BFGS: 2 13:54:10 -6.651102 0.0172 BFGS: 3 13:54:10 -6.651139 0.0010 BFGS: 4 13:54:10 -6.651139 0.0000 BFGS: 5 13:54:10 -6.651139 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.213095498110994e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.1957131560996013, 4.2663928001746306e-37, 6.628998410792531e-35], [1.2767963616821302e-35, 3.1957131560996013, 7.159776777472113e-23], [5.950188197603857e-35, 7.15977677747014e-23, 3.1957131560996013]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-7.21309550e-11 -7.21309550e-11 -7.21309550e-11 1.94432808e-28 5.02890738e-34 7.74636819e-52] energy per atom = -3.3255695908442804 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0