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: MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_001 ==== 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 11:19:01 -6.395104 0.220975 BFGS: 1 11:19:02 -6.397045 0.189182 BFGS: 2 11:19:02 -6.402632 0.012594 BFGS: 3 11:19:02 -6.402659 0.000783 BFGS: 4 11:19:02 -6.402659 0.000004 BFGS: 5 11:19:02 -6.402659 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.779963664799004e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.2707779790952975, -1.8839314539785815e-33, 6.158918872114642e-33], [2.9809829110550624e-33, 3.2707779790952975, -1.43112774729951e-19], [2.0083753745384376e-32, -1.4311277472996654e-19, 3.2707779790952975]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.77996366e-11 -5.77996366e-11 -5.77996366e-11 -2.66050745e-26 1.20018196e-35 1.42835336e-51] energy per atom = -3.201329641074809 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0