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: Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001 ==== 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 16:36:28 -5.631870 1.850417 BFGS: 1 16:36:28 -5.717558 0.371704 BFGS: 2 16:36:28 -5.721777 0.054946 BFGS: 3 16:36:28 -5.721875 0.002064 BFGS: 4 16:36:28 -5.721875 0.000012 BFGS: 5 16:36:28 -5.721875 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.5162981677730707e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[1.8348078766934732, 3.360226937802271e-33, -1.8456539072744791e-34], [3.9152265098027654e-33, 1.8348078766934732, 2.959241064069348e-20], [3.1318979085888236e-34, 2.9592410640693464e-20, 1.8348078766934732]]) forces = [[0. 0. 0.]] stress = [-4.51629817e-10 -4.51629817e-10 -4.51629817e-10 5.51969829e-27 -2.04869225e-38 1.53760751e-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