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_SturgeonLaird_2000_Al__MO_120808805541_005 ==== 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 15:44:56 -6.708030 0.156494 BFGS: 1 15:44:56 -6.709006 0.134613 BFGS: 2 15:44:56 -6.711687 0.006374 BFGS: 3 15:44:56 -6.711693 0.000230 BFGS: 4 15:44:56 -6.711693 0.000001 BFGS: 5 15:44:56 -6.711693 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.6336754602155144e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.208122989154154, 8.684894232182417e-33, -6.913490036385985e-33], [6.403467466499417e-33, 3.208122989154154, 5.05371230955242e-20], [-8.313394226613882e-33, 5.0537123095531206e-20, 3.208122989154154]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.63367546e-11 -1.63367546e-11 -1.63367546e-11 1.15069010e-27 4.05443711e-35 -1.70175311e-51] energy per atom = -3.3558464040555283 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0