element(s): ['C'] AFLOW prototype label: A_cI8_214_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.1243'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0.125 0.125 0.125]] spacegroup = 214 cell = [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]] ========================================= Step Time Energy fmax BFGS: 0 16:33:40 -55.817399 0.191032 BFGS: 1 16:33:40 -55.818915 0.179356 BFGS: 2 16:33:40 -55.830000 0.004492 BFGS: 3 16:33:40 -55.830007 0.000102 BFGS: 4 16:33:40 -55.830007 0.000000 BFGS: 5 16:33:40 -55.830007 0.000000 Minimization converged after 5 steps. Maximum force component: 1.6852851504051403e-31 eV/Angstrom Maximum stress component: 8.06129468695596e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.125 0.125 0.125] [0.375 0.875 0.625] [0.875 0.625 0.375] [0.625 0.375 0.875] [0.875 0.375 0.125] [0.625 0.625 0.625] [0.375 0.125 0.875] [0.125 0.875 0.375]] cellpar = Cell([[4.101797246336252, -2.464535313759403e-37, 2.6932921808110953e-33], [4.007127672731578e-33, 4.101797246336252, -1.0000830142905994e-19], [5.502752571095344e-33, -1.0000830142905695e-19, 4.101797246336252]]) forces = [[ 1.68528515e-32 -3.37057030e-32 -3.37057030e-32] [-6.74114060e-32 1.17969961e-31 -2.87629414e-51] [ 7.16246189e-32 -1.26396386e-32 -5.05585545e-32] [-3.37057030e-32 -3.37057030e-32 1.01117109e-31] [ 1.01117109e-31 -6.74114060e-32 1.64359665e-51] [ 3.15990966e-32 -3.79189159e-32 -3.37057030e-32] [ 1.01117109e-31 1.68528515e-32 1.68528515e-31] [-3.37057030e-32 9.26906833e-32 -5.05585545e-32]] stress = [-8.06129469e-14 -8.06129469e-14 -8.06129469e-14 -5.29379770e-31 -4.88405811e-34 8.08631951e-50] energy per atom = -6.978750821300956 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0