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_MendelevKramerBecker_2008_Al__MO_106969701023_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 10:13:18 -6.617559 0.021293 BFGS: 1 10:13:18 -6.617578 0.019249 BFGS: 2 10:13:18 -6.617666 0.001103 BFGS: 3 10:13:18 -6.617666 0.000007 BFGS: 4 10:13:18 -6.617666 0.000000 BFGS: 5 10:13:18 -6.617666 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.238298441614834e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.2384073086008125, -3.192039246734455e-34, -8.91501548877628e-33], [-5.078844216731117e-33, 3.2384073086008125, -5.380727411365991e-20], [-3.7158796807065695e-33, -5.380727411365896e-20, 3.2384073086008125]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.23829844e-13 -3.23829844e-13 -3.23829844e-13 -7.75760180e-29 -4.89718235e-35 -1.55048801e-50] energy per atom = -3.3088330409262348 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0