element(s): ['Si'] AFLOW prototype label: A_cF8_227_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.4673'] model name: MEAM_LAMMPS_LenoskySadighAlonso_2000_Si__MO_533426548156_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]] ========================================= Step Time Energy fmax BFGS: 0 17:29:28 -36.832228 0.2711 BFGS: 1 17:29:28 -36.835267 0.2522 BFGS: 2 17:29:28 -36.854360 0.0005 BFGS: 3 17:29:28 -36.854360 0.0000 BFGS: 4 17:29:28 -36.854360 0.0000 Minimization converged after 4 steps. Maximum force component: 1.0040496503912025e-31 eV/Angstrom Maximum stress component: 4.849925681834945e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0. 0. 0. ] [0. 0.5 0.5 ] [0.5 0.5 0. ] [0.5 0. 0.5 ] [0.75 0.25 0.75] [0.25 0.25 0.25] [0.25 0.75 0.75] [0.75 0.75 0.25]] cellpar = Cell([[5.4305456724367005, 1.8914623558202609e-34, -1.5430142921873367e-34], [-3.7829276283421245e-34, 5.4305456724367005, 1.0994725081031654e-20], [6.141967627415917e-35, 1.0994725081031275e-20, 5.4305456724367005]]) forces = [[-5.57805361e-33 -5.57805361e-32 -3.34683217e-32] [-5.57805361e-33 -5.57805361e-33 1.67341608e-32] [-1.11561072e-32 6.13585897e-32 -3.34683217e-32] [ 1.11561072e-32 -1.39451340e-32 3.90463753e-32] [-6.69366434e-32 -1.53396474e-32 1.11561072e-32] [ 5.99640763e-32 9.25118013e-32 2.89361531e-32] [-5.15969959e-32 -1.00404965e-31 5.92668196e-32] [ 7.47807813e-32 1.18533639e-32 -1.60369041e-32]] stress = [ 4.84992568e-11 4.84992568e-11 4.84992568e-11 3.39726813e-27 -4.35373795e-36 -1.93291330e-52] energy per atom = -4.606795040121089 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0