element(s): ['Al'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.039'] model name: MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]] ========================================= Step Time Energy fmax BFGS: 0 11:14:10 -13.438860 0.067710 BFGS: 1 11:14:10 -13.439048 0.061606 BFGS: 2 11:14:10 -13.439960 0.000992 BFGS: 3 11:14:11 -13.439960 0.000017 BFGS: 4 11:14:11 -13.439960 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.00053528122466e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.0499988861407115, -2.537571249541339e-34, -1.55304838109146e-33], [2.537149536603179e-34, 4.0499988861407115, 1.856575548522325e-21], [-6.964153122758389e-33, 1.8565755485292994e-21, 4.0499988861407115]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.00053528e-10 -3.00053528e-10 -3.00053528e-10 1.33249666e-25 -2.73972810e-35 -7.00523836e-56] energy per atom = -3.359989957384305 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Skipping parameter set 0 because of error while adding or validating property: [Errno 12] Cannot allocate memory No parameter sets in this group successfully added a property instance. Skipping this group.