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_Zhakhovsky_2009_Al__MO_519613893196_000 ==== 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 15:11:29 -13.442327 0.043098 BFGS: 1 15:11:29 -13.442403 0.039305 BFGS: 2 15:11:29 -13.442777 0.000400 BFGS: 3 15:11:29 -13.442777 0.000004 BFGS: 4 15:11:29 -13.442777 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.0377434588764397e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [8.48496733e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.0319999997060005, -4.3263701576260386e-33, -8.84378175594688e-33], [3.168011335177816e-33, 4.0319999997060005, 1.4301829622407401e-18], [-6.862619854380082e-33, 1.4301829622407401e-18, 4.0319999997060005]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [2.03774346e-11 2.03774346e-11 2.03774346e-11 7.09479578e-28 2.51977126e-59 5.26041324e-60] energy per atom = -3.3606942441862224 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0