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_002 ==== 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 16:36:59 -6.080662 0.430124 BFGS: 1 16:36:59 -6.085309 0.077844 BFGS: 2 16:36:59 -6.085474 0.002999 BFGS: 3 16:36:59 -6.085474 0.000022 BFGS: 4 16:36:59 -6.085474 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1283561980650803e-09 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[1.7874065169592168, -1.2073212924498078e-32, -5.166176349073391e-33], [-1.3789368305396115e-32, 1.7874065169592168, 3.969831104115795e-21], [2.4447191825913006e-33, 3.969831104118954e-21, 1.7874065169592168]]) forces = [[0. 0. 0.]] stress = [-1.12835620e-09 -1.12835620e-09 -1.12835620e-09 4.59552496e-26 -3.09275039e-39 1.22735051e-55] 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