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: EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005 ==== 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 11:14:54 -5.032783 0.034131 BFGS: 1 11:14:54 -5.032831 0.031284 BFGS: 2 11:14:54 -5.033077 0.000990 BFGS: 3 11:14:54 -5.033077 0.000028 BFGS: 4 11:14:54 -5.033077 0.000000 BFGS: 5 11:14:54 -5.033077 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.286750788516979e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.2238091743941393, -2.071012970030514e-32, -2.6251153477618016e-34], [-2.2303190479172217e-32, 3.2238091743941393, -2.5857128685308004e-21], [-2.0456303673784276e-32, -2.585712868509375e-21, 3.2238091743941393]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.28675079e-14 -3.28675079e-14 -3.28675079e-14 -6.44431786e-30 9.88326772e-35 7.01219109e-51] energy per atom = -2.485804392227262 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0