element(s): ['C'] 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: ['3.5727'] 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 = 227 cell = [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]] ========================================= Step Time Energy fmax BFGS: 0 15:39:42 -58.948466 0.210270 BFGS: 1 15:39:42 -58.950284 0.193200 BFGS: 2 15:39:42 -58.959996 0.003996 BFGS: 3 15:39:42 -58.960000 0.000074 BFGS: 4 15:39:42 -58.960000 0.000000 BFGS: 5 15:39:42 -58.960000 0.000000 Minimization converged after 5 steps. Maximum force component: 1.315109148989637e-31 eV/Angstrom Maximum stress component: 3.288374766685593e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] 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([[3.5564776577756785, -1.0892200429487715e-37, 6.740007471252926e-34], [1.8657716059076682e-38, 3.5564776577756785, 5.372824506850163e-21], [6.376302852991608e-35, 5.372824506851318e-21, 3.5564776577756785]]) forces = [[-2.19184858e-32 5.47962145e-33 -1.46123239e-32] [-5.84492955e-32 -5.84492955e-32 -1.31510915e-31] [ 1.64388644e-32 7.12350789e-32 1.46123239e-32] [-1.46123239e-32 -2.92246478e-32 -3.65308097e-32] [-1.07765889e-31 2.42016614e-32 1.55255941e-32] [-3.01379180e-32 -7.35182545e-32 -3.65308097e-32] [-1.09592429e-32 -4.01838907e-32 -6.07064105e-53] [ 1.30981377e-66 -1.64388644e-32 7.30616194e-32]] stress = [-3.28837477e-14 -3.28837477e-14 -3.28837477e-14 1.30028846e-34 4.24652072e-65 6.06252811e-68] energy per atom = -7.369999999999999 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0