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: EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005 ==== 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 10:07:20 -13.558939 0.065611 BFGS: 1 10:07:20 -13.559116 0.059905 BFGS: 2 10:07:20 -13.560008 0.000762 BFGS: 3 10:07:20 -13.560008 0.000007 BFGS: 4 10:07:20 -13.560008 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.848500056713874e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [8.44723506e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 4.75537058e-35 5.00000000e-01] [5.00000000e-01 5.00000000e-01 4.75537058e-35]] cellpar = Cell([[4.050010216710816, 2.0340775883697503e-33, 1.3347078284343125e-34], [-4.305827416486001e-33, 4.050010216710816, 2.2000264874052267e-18], [-1.9559972034866423e-33, 2.2000264874052313e-18, 4.050010216710816]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.84850006e-10 -2.84850006e-10 -2.84850006e-10 7.66072994e-27 1.95693769e-36 -2.39528066e-53] energy per atom = -3.390001932823778 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0