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_ErcolessiAdams_1994_Al__MO_123629422045_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 16:46:07 -6.569956 0.520580 BFGS: 1 16:46:07 -6.580777 0.448776 BFGS: 2 16:46:07 -6.614011 0.013908 BFGS: 3 16:46:07 -6.614029 0.005245 BFGS: 4 16:46:07 -6.614032 0.000039 BFGS: 5 16:46:07 -6.614032 0.000000 BFGS: 6 16:46:07 -6.614032 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.4965953859493225e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.147477301991885, 7.829095858690832e-34, 6.367678497347283e-33], [-8.463675024159904e-38, 3.147477301991885, 6.364447905902409e-19], [7.798380333499255e-33, 6.364447905902385e-19, 3.147477301991885]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.49659539e-13 1.49659539e-13 1.49659539e-13 -3.30803107e-29 5.34552942e-51 1.03190115e-63] energy per atom = -3.3070158706451402 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0