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_LeeShimBaskes_2003_Cu__MO_087820130586_000 ==== 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 16:04:37 -6.910856 0.247642 BFGS: 1 16:04:37 -6.913224 0.198328 BFGS: 2 16:04:37 -6.917287 0.010874 BFGS: 3 16:04:37 -6.917299 0.000441 BFGS: 4 16:04:37 -6.917299 0.000001 BFGS: 5 16:04:37 -6.917299 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.692487283242429e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.850979278997178, 2.859697129911021e-33, 6.780939503427085e-34], [-1.363921464163682e-33, 2.8509792789971784, 2.8407151337741766e-20], [-4.202805751642606e-33, 2.8407151337749765e-20, 2.850979278997178]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.69248728e-12 -6.69248728e-12 -6.69248728e-12 -3.47812068e-27 1.01097654e-33 3.56225530e-49] energy per atom = -3.458649527826575 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0