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_Al__MO_315820974149_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 11:14:06 -13.438860 0.067710 BFGS: 1 11:14:06 -13.439048 0.061606 BFGS: 2 11:14:06 -13.439960 0.000992 BFGS: 3 11:14:06 -13.439960 0.000017 BFGS: 4 11:14:07 -13.439960 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.000535255842317e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 7.43028732e-37 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.0499988861407115, -3.2985586442468414e-33, 2.641048556098448e-34], [-2.0290314246185458e-32, 4.0499988861407115, -3.956582768166192e-20], [7.834483116140931e-34, -3.956582768166138e-20, 4.0499988861407115]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.00053526e-10 -3.00053526e-10 -3.00053526e-10 6.47827147e-28 -1.66340634e-35 -1.72713562e-52] energy per atom = -3.359989957384305 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0