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: EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000 ==== 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 16:34:53 -3.739963 1.469431 BFGS: 1 16:34:53 -3.797379 0.172861 BFGS: 2 16:34:53 -3.797853 0.060048 BFGS: 3 16:34:53 -3.797918 0.000029 BFGS: 4 16:34:53 -3.797918 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.808230528171089e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[1.7330749613721115, -2.622844483274791e-35, -3.6703272693555354e-36], [-9.609182524652456e-36, 1.7330749613721115, -9.76353502938602e-25], [2.071200275185312e-36, -9.763535029531936e-25, 1.7330749613721115]]) forces = [[0. 0. 0.]] stress = [ 8.80823053e-10 8.80823053e-10 8.80823053e-10 1.74670596e-26 -2.14196065e-50 2.80083493e-61] energy per atom = -3.7979178310573083 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0