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: MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_002 ==== 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 16:48:36 -6.483084 0.044368 BFGS: 1 16:48:36 -6.483162 0.036959 BFGS: 2 16:48:36 -6.483335 0.000386 BFGS: 3 16:48:36 -6.483336 0.000003 BFGS: 4 16:48:36 -6.483336 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.714633062387835e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.226916656537674, 5.341490829083815e-36, 7.997030174364075e-38], [4.965940947029245e-36, 3.226916656537674, 2.0166475812008791e-28], [-1.1039325716269405e-37, 2.016647535451115e-28, 3.226916656537674]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [1.71463306e-11 1.71463306e-11 1.71463306e-11 4.50793679e-29 4.93212097e-35 7.05582404e-53] energy per atom = -3.2416677589033025 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0