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_LiyanageKimHouze_2014_FeC__MO_075279800195_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 22:15:00 -5.631870 1.850417 BFGS: 1 22:15:00 -5.717558 0.371704 BFGS: 2 22:15:00 -5.721777 0.054946 BFGS: 3 22:15:00 -5.721875 0.002064 BFGS: 4 22:15:00 -5.721875 0.000012 BFGS: 5 22:15:00 -5.721875 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.516255636424032e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[1.8348078766934657, -2.2162069727158493e-33, 3.2765315229880247e-33], [-5.7316233415431365e-34, 1.8348078766934657, 9.167983888283436e-21], [-2.1867437393381826e-34, 9.1679838882871e-21, 1.8348078766934657]]) forces = [[0. 0. 0.]] stress = [-4.51625564e-10 -4.51625564e-10 -4.51625564e-10 -3.91093127e-26 4.33594670e-39 4.69279980e-55] energy per atom = -5.7218753580735005 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0