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_001 ==== 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 -6.930292 0.709742 BFGS: 1 16:04:37 -6.950258 0.602062 BFGS: 2 16:04:37 -6.995919 0.019433 BFGS: 3 16:04:37 -6.995959 0.002450 BFGS: 4 16:04:37 -6.995960 0.000008 BFGS: 5 16:04:37 -6.995960 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.2033365877340296e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.791030097645287, 9.181096325910248e-34, 2.4605477438501556e-33], [-9.228135771073239e-34, 2.7910300976452875, -8.364970681768764e-21], [3.515782412660762e-33, -8.3649706817717e-21, 2.791030097645287]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.20333659e-10 -3.20333659e-10 -3.20333659e-10 1.18008575e-29 -5.60401261e-34 6.22541310e-50] energy per atom = -3.4979798992680093 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0