element(s): ['C'] AFLOW prototype label: A_cP1_221_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['1.774'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0 0 0]] spacegroup = 221 cell = [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]] ========================================= Step Time Energy fmax BFGS: 0 10:42:14 -6.080662 0.430124 BFGS: 1 10:42:14 -6.085309 0.077844 BFGS: 2 10:42:14 -6.085474 0.002999 BFGS: 3 10:42:14 -6.085474 0.000022 BFGS: 4 10:42:14 -6.085474 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1283541130230883e-09 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[1.787406516959217, -1.2576046103816223e-32, -4.714264132770845e-33], [-1.2640034370413616e-32, 1.787406516959217, 4.033900139083349e-21], [9.108456454623261e-34, 4.03390013908816e-21, 1.787406516959217]]) forces = [[0. 0. 0.]] stress = [-1.12835411e-09 -1.12835411e-09 -1.12835411e-09 -6.53040573e-26 3.63127765e-38 1.43899712e-54] energy per atom = -6.085473891824938 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0