element(s): ['C'] AFLOW prototype label: A_cI16_206_c Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.4773', '0.15607601'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0.15607601 0.15607601 0.15607601]] spacegroup = 206 cell = [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]] ========================================= Step Time Energy fmax BFGS: 0 15:49:07 -109.523075 1.724377 BFGS: 1 15:49:07 -110.024327 0.873107 BFGS: 2 15:49:07 -110.257939 0.363730 BFGS: 3 15:49:07 -110.308662 0.427182 BFGS: 4 15:49:07 -110.329012 0.440863 BFGS: 5 15:49:07 -110.349186 0.420762 BFGS: 6 15:49:07 -110.377659 0.341714 BFGS: 7 15:49:07 -110.404158 0.217777 BFGS: 8 15:49:07 -110.426262 0.120030 BFGS: 9 15:49:07 -110.437899 0.039108 BFGS: 10 15:49:07 -110.439454 0.010041 BFGS: 11 15:49:07 -110.439501 0.001256 BFGS: 12 15:49:07 -110.439502 0.000009 BFGS: 13 15:49:07 -110.439502 0.000000 BFGS: 14 15:49:07 -110.439502 0.000000 Minimization converged after 14 steps. Maximum force component: 5.894149614846417e-12 eV/Angstrom Maximum stress component: 8.942876418602003e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.14513815 0.14513815 0.14513815] [0.35486185 0.85486185 0.64513815] [0.85486185 0.64513815 0.35486185] [0.64513815 0.35486185 0.85486185] [0.64513815 0.64513815 0.64513815] [0.85486185 0.35486185 0.14513815] [0.35486185 0.14513815 0.85486185] [0.14513815 0.85486185 0.35486185] [0.85486185 0.85486185 0.85486185] [0.64513815 0.14513815 0.35486185] [0.14513815 0.35486185 0.64513815] [0.35486185 0.64513815 0.14513815] [0.35486185 0.35486185 0.35486185] [0.14513815 0.64513815 0.85486185] [0.64513815 0.85486185 0.14513815] [0.85486185 0.14513815 0.64513815]] cellpar = Cell([[4.423094221225707, 5.4809540117580046e-37, 0.0], [8.4667354088588e-37, 4.423094221225707, 0.0], [0.0, 0.0, 4.423094221225707]]) forces = [[-5.89414961e-12 -5.89414961e-12 -5.89414961e-12] [ 5.89414961e-12 5.89414961e-12 -5.89414961e-12] [ 5.89414961e-12 -5.89414961e-12 5.89414961e-12] [-5.89414961e-12 5.89414961e-12 5.89414961e-12] [-5.89414961e-12 -5.89414961e-12 -5.89414961e-12] [ 5.89414961e-12 5.89414961e-12 -5.89414961e-12] [ 5.89414961e-12 -5.89414961e-12 5.89414961e-12] [-5.89414961e-12 5.89414961e-12 5.89414961e-12] [ 5.89414961e-12 5.89414961e-12 5.89414961e-12] [-5.89414961e-12 -5.89414961e-12 5.89414961e-12] [-5.89414961e-12 5.89414961e-12 -5.89414961e-12] [ 5.89414961e-12 -5.89414961e-12 -5.89414961e-12] [ 5.89414961e-12 5.89414961e-12 5.89414961e-12] [-5.89414961e-12 -5.89414961e-12 5.89414961e-12] [-5.89414961e-12 5.89414961e-12 -5.89414961e-12] [ 5.89414961e-12 -5.89414961e-12 -5.89414961e-12]] stress = [-8.94287642e-12 -8.94287642e-12 -8.94287642e-12 0.00000000e+00 0.00000000e+00 -8.40053246e-34] energy per atom = -6.902468864233547 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0