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: Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_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 16:05:14 -6.930292 0.709742 BFGS: 1 16:05:14 -6.950258 0.602062 BFGS: 2 16:05:14 -6.995919 0.019433 BFGS: 3 16:05:14 -6.995959 0.002450 BFGS: 4 16:05:14 -6.995960 0.000008 BFGS: 5 16:05:14 -6.995960 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.203331262934747e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.79103009764531, 8.969761713017625e-33, 5.7220098216241856e-33], [1.4672321162267273e-32, 2.791030097645311, 6.177076362512118e-19], [-1.947794382850747e-32, 6.177076362512311e-19, 2.79103009764531]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.20333126e-10 -3.20333126e-10 -3.20333126e-10 -1.00240128e-25 -7.91154722e-34 -2.58556571e-49] energy per atom = -3.4979798992680085 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0