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_KimKimLee_2009_AlMg__MO_058537087384_002 ==== 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 21:13:17 -6.483084 0.044368 BFGS: 1 21:13:17 -6.483162 0.036959 BFGS: 2 21:13:17 -6.483335 0.000386 BFGS: 3 21:13:17 -6.483336 0.000003 BFGS: 4 21:13:17 -6.483336 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.7146768494992345e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.2269166565237875, 7.454605079322923e-34, 1.7372538410869106e-34], [1.1857713809993282e-41, 3.2269166565237875, -5.754898589932949e-21], [-5.041542837204566e-33, -5.754898589931675e-21, 3.2269166565237875]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.71467685e-11 1.71467685e-11 1.71467685e-11 -4.82978546e-27 9.80241114e-60 -4.18908623e-61] energy per atom = -3.2416677587588496 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0