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 13:54:11 -13.442327 0.0431 BFGS: 1 13:54:11 -13.442403 0.0393 BFGS: 2 13:54:11 -13.442777 0.0004 BFGS: 3 13:54:11 -13.442777 0.0000 BFGS: 4 13:54:11 -13.442777 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.037743458876439e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.12124183e-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, 1.2650840958646393e-34, 4.869952688818306e-36], [1.1043613177438896e-33, 4.0319999997060005, 1.430569378576038e-18], [-1.9257438850788047e-35, 1.430569378576038e-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 5.28856240e-29 4.15031423e-62 -1.00683380e-61] 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