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_ZhouWadleyJohnson_2001_Al__MO_049243498555_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 15:46:55 -7.033190 0.245766 BFGS: 1 15:46:55 -7.035647 0.220916 BFGS: 2 15:46:55 -7.045913 0.002981 BFGS: 3 15:46:55 -7.045915 0.000061 BFGS: 4 15:46:55 -7.045915 0.000000 BFGS: 5 15:46:55 -7.045915 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.958333642437167e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.288472328605233, -4.9532579828209124e-36, 8.274245415501213e-33], [5.95767463267278e-40, 3.288472328605233, -1.5314723860463207e-19], [3.3105897447727137e-33, -1.5314723860463207e-19, 3.288472328605233]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [6.95833364e-15 6.95833364e-15 6.95833364e-15 4.63628691e-30 2.84952246e-34 9.49609822e-50] energy per atom = -3.5229574722364574 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0