element(s): ['Si'] 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: ['3.868'] model name: MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]] ========================================= Step Time Energy fmax BFGS: 0 15:30:18 -16.150577 0.990690 BFGS: 1 15:30:18 -16.188909 0.816147 BFGS: 2 15:30:18 -16.268153 0.254206 BFGS: 3 15:30:18 -16.277577 0.026123 BFGS: 4 15:30:18 -16.277682 0.000977 BFGS: 5 15:30:18 -16.277682 0.000004 BFGS: 6 15:30:18 -16.277682 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.0108619073882365e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.29768479e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.9545105827876026, -2.3796211942368744e-33, 9.882886795884377e-34], [-2.2114012202346588e-33, 3.9545105827876026, 5.437884627208467e-19], [-2.2683485456808498e-34, 5.437884627208478e-19, 3.9545105827876026]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.01086191e-11 -4.01086191e-11 -4.01086191e-11 9.33377334e-28 -8.84861863e-35 3.01506203e-51] energy per atom = -4.069420490093625 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0