element(s): ['Si'] AFLOW prototype label: A_hP1_191_a Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.6513', '0.93471127'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 191 cell = [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]] ========================================= Step Time Energy fmax BFGS: 0 15:32:21 -3.672021 4.578113 BFGS: 1 15:32:21 -3.823217 1.091226 BFGS: 2 15:32:21 -3.835770 0.440844 BFGS: 3 15:32:21 -3.838913 0.084931 BFGS: 4 15:32:21 -3.839049 0.009494 BFGS: 5 15:32:21 -3.839051 0.000453 BFGS: 6 15:32:21 -3.839051 0.000078 BFGS: 7 15:32:21 -3.839051 0.000003 BFGS: 8 15:32:21 -3.839051 0.000000 BFGS: 9 15:32:21 -3.839051 0.000000 Minimization converged after 9 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1518120902359494e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si'] basis = [[0. 0. 0.]] cellpar = Cell([[2.6795738755660943, -1.7103512403138597e-17, -2.340716488502219e-37], [-1.3397869377830471, 2.32057904755736, -2.342025693518736e-37], [-7.977652396115629e-42, 2.702026556520984e-38, 2.679573875636948]]) forces = [[0. 0. 0.]] stress = [ 1.04306301e-10 1.04306301e-10 1.15181209e-10 8.62534869e-48 7.37494155e-48 -2.04987995e-26] energy per atom = -3.839050752564717 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0