element(s): ['Cu'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.6146'] model name: Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Cu__SM_239791545509_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]] ========================================= Step Time Energy fmax BFGS: 0 15:11:22 -14.159508 0.051343 BFGS: 1 15:11:22 -14.159615 0.045419 BFGS: 2 15:11:22 -14.160000 0.000371 BFGS: 3 15:11:22 -14.160000 0.000003 BFGS: 4 15:11:22 -14.160000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.3978716432671846e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.6203867123889997, 4.967324625622173e-34, -4.6743304545975564e-34], [5.541711891703521e-35, 3.6203867123889997, 9.279405026931629e-22], [-1.2779264598389996e-33, 9.27940502695344e-22, 3.6203867123889997]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.39787164e-11 -1.39787164e-11 -1.39787164e-11 -2.45857987e-27 -4.05594973e-60 -2.10161365e-62] energy per atom = -3.540000000040204 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0