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_LeeShimBaskes_2003_Al__MO_353977746962_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 16:48:35 -6.483084 0.044368 BFGS: 1 16:48:35 -6.483162 0.036959 BFGS: 2 16:48:35 -6.483336 0.000385 BFGS: 3 16:48:35 -6.483336 0.000003 BFGS: 4 16:48:35 -6.483336 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.719049525011524e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.2269166447266477, 1.3607784760086112e-32, 2.6188296396585385e-33], [7.002822962214888e-33, 3.2269166447266477, -1.1216784620839277e-21], [1.808423798813052e-35, -1.1216784620805854e-21, 3.2269166447266477]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [1.71904953e-11 1.71904953e-11 1.71904953e-11 1.14265267e-27 4.62386345e-36 3.41269094e-52] energy per atom = -3.24166776841551 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0