element(s): ['Cu'] 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: ['2.8755'] model name: MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]] ========================================= Step Time Energy fmax BFGS: 0 17:51:14 -6.930292 0.7097 BFGS: 1 17:51:14 -6.950258 0.6021 BFGS: 2 17:51:14 -6.995919 0.0194 BFGS: 3 17:51:14 -6.995959 0.0025 BFGS: 4 17:51:14 -6.995960 0.0000 BFGS: 5 17:51:14 -6.995960 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.20333936097003e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7910300976452866, -4.786233310356649e-33, -5.8264870304101106e-33], [6.621505903816291e-33, 2.791030097645287, -1.062319342408988e-22], [6.402016237126901e-33, -1.06231934257083e-22, 2.7910300976452866]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.20333936e-10 -3.20333936e-10 -3.20333936e-10 2.80405640e-26 2.47235851e-34 -2.10017311e-50] energy per atom = -3.497979899268009 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0