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_ZopeMishin_2003_Al__MO_664470114311_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 09:39:14 -6.534736 0.0131 BFGS: 1 09:39:14 -6.534743 0.0115 BFGS: 2 09:39:14 -6.534767 0.0000 BFGS: 3 09:39:14 -6.534767 0.0000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1014913902403655e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.2355295846179946, 3.876064120375496e-38, -2.106439150285658e-34], [4.2655627625209754e-37, 3.2355295846179946, 1.190399829089802e-24], [-1.3552732709057313e-34, 1.1903998289309742e-24, 3.2355295846179946]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.10149139e-12 -1.10149139e-12 -1.10149139e-12 -1.22847202e-30 6.13237184e-35 2.04911545e-50] energy per atom = -3.2613040596070997 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0