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_MendelevFangYe_2015_AlSm__MO_338600200739_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 16:46:11 -7.625252 0.038443 BFGS: 1 16:46:11 -7.625312 0.035081 BFGS: 2 16:46:11 -7.625618 0.000651 BFGS: 3 16:46:11 -7.625618 0.000011 BFGS: 4 16:46:11 -7.625618 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.0025739355955238e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.222671393529603, 1.0119031568998206e-32, -6.990860612478918e-35], [2.5498533071697614e-33, 3.222671393529603, 8.727730456674581e-20], [7.885196462273056e-34, 8.727730456674546e-20, 3.222671393529603]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.00257394e-10 2.00257394e-10 2.00257394e-10 -1.93606370e-27 2.47256191e-35 -5.01597767e-53] energy per atom = -3.8128088207453343 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0